smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCN1CC[C@@H]([NH3+])[C@@]12CN1CCC2CC1 ZINC000685955260 538900309 /nfs/dbraw/zinc/90/03/09/538900309.db2.gz WYUSERNHGQMRDE-NEPJUHHUSA-N 1 3 209.337 0.504 10 0 BCAEHO CC[NH+](CC)[C@H]1CCN(C(=O)[C@@H](C)NC)C1 ZINC000062972822 349503427 /nfs/dbraw/zinc/50/34/27/349503427.db2.gz IOFRIXCZYURTFP-MNOVXSKESA-N 1 3 227.352 0.537 10 0 BCAEHO CC(C)[NH2+]CCC(=O)N1CC[C@H](N(C)C)C1 ZINC000062972437 349503506 /nfs/dbraw/zinc/50/35/06/349503506.db2.gz LLCOHNJWONRXLZ-NSHDSACASA-N 1 3 227.352 0.537 10 0 BCAEHO C[C@@H](O)C1CC[NH+]([C@@H](C)[C@H](C)N)CC1 ZINC000307511899 398173933 /nfs/dbraw/zinc/17/39/33/398173933.db2.gz LXEQDSOWDMSERX-LPEHRKFASA-N 1 3 200.326 0.815 10 0 BCAEHO CCN1CCC[C@H]1CN(C)C(=O)CCC[NH2+]C ZINC000092630182 398236012 /nfs/dbraw/zinc/23/60/12/398236012.db2.gz OFKJBAPCYZMZPV-LBPRGKRZSA-N 1 3 241.379 0.929 10 0 BCAEHO CCN(CCNC(=O)[C@H]1CCC[NH2+]C1)C1CC1 ZINC000167204315 136244873 /nfs/dbraw/zinc/24/48/73/136244873.db2.gz CESMQEFMZZGIDN-NSHDSACASA-N 1 3 239.363 0.587 10 0 BCAEHO CCCN1CCN(c2cc(C(N)=[NH2+])ccn2)CC1 ZINC000019480901 534929191 /nfs/dbraw/zinc/92/91/91/534929191.db2.gz JQGUZHKJNUMGTF-UHFFFAOYSA-N 1 3 247.346 0.898 10 0 BCAEHO CCC[C@H](N)C(=O)NC[C@@H]1CCC[N@@H+]1CC ZINC000036872928 342992945 /nfs/dbraw/zinc/99/29/45/342992945.db2.gz XNOLNNSSXDBVBD-QWRGUYRKSA-N 1 3 227.352 0.714 10 0 BCAEHO CCC[C@H](N)C(=O)NC[C@@H]1CCC[N@H+]1CC ZINC000036872928 342992946 /nfs/dbraw/zinc/99/29/46/342992946.db2.gz XNOLNNSSXDBVBD-QWRGUYRKSA-N 1 3 227.352 0.714 10 0 BCAEHO CC[C@@H](N)C(=O)NC[C@H](C)[NH+](CC)CC ZINC000152850872 488205798 /nfs/dbraw/zinc/20/57/98/488205798.db2.gz KFDLTVASYZJUJY-VHSXEESVSA-N 1 3 215.341 0.570 10 0 BCAEHO CN(C)[C@@H]1CCN(C(=O)CC[C@@H]2CC[NH2+]C2)C1 ZINC000134562433 343194768 /nfs/dbraw/zinc/19/47/68/343194768.db2.gz QEQCZUVWUVFCHG-VXGBXAGGSA-N 1 3 239.363 0.539 10 0 BCAEHO CC(C)N1CCN([C@@H]2CCC[C@H]2[NH3+])CC1 ZINC000036170978 187249175 /nfs/dbraw/zinc/24/91/75/187249175.db2.gz PMSOQYRIZIXCLY-VXGBXAGGSA-N 1 3 211.353 0.892 10 0 BCAEHO CC(C)N1CCN(C[C@H](O)C[NH2+]C2CC2)CC1 ZINC000036170866 187258720 /nfs/dbraw/zinc/25/87/20/187258720.db2.gz LTUZRCLGHRMMLQ-CYBMUJFWSA-N 1 3 241.379 0.125 10 0 BCAEHO CC(C)C[C@@H](CN(C)C)[NH2+]C[C@H](O)CN(C)C ZINC000049555471 187270131 /nfs/dbraw/zinc/27/01/31/187270131.db2.gz HFSLPKYXODJENV-STQMWFEESA-N 1 3 245.411 0.475 10 0 BCAEHO CC(C)[C@H](CN(C)C)NC(=O)[C@@H]1CCCC[NH2+]1 ZINC000049220532 187270235 /nfs/dbraw/zinc/27/02/35/187270235.db2.gz DVPSMNAOZPIMFM-RYUDHWBXSA-N 1 3 241.379 0.831 10 0 BCAEHO CC(C)C[C@H](N)C(=O)N(C)C[C@H]1CC[N@H+](C)C1 ZINC000071189592 187275384 /nfs/dbraw/zinc/27/53/84/187275384.db2.gz BSOBGUQDMFYILH-RYUDHWBXSA-N 1 3 241.379 0.770 10 0 BCAEHO CC(C)C[C@H](N)C(=O)N(C)C[C@H]1CC[N@@H+](C)C1 ZINC000071189592 187275385 /nfs/dbraw/zinc/27/53/85/187275385.db2.gz BSOBGUQDMFYILH-RYUDHWBXSA-N 1 3 241.379 0.770 10 0 BCAEHO CN(C)[C@@H]1CCN(C(=O)[C@H]2CC[C@H]([NH3+])C2)C1 ZINC000085012990 344201356 /nfs/dbraw/zinc/20/13/56/344201356.db2.gz DMIYIAFHIBHNQV-GARJFASQSA-N 1 3 225.336 0.276 10 0 BCAEHO CSCC[C@@H](N)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000309408440 347056591 /nfs/dbraw/zinc/05/65/91/347056591.db2.gz IEUULKQSKANFNL-DTWKUNHWSA-N 1 3 231.365 0.017 10 0 BCAEHO C[C@H](CNC(=O)OC(C)(C)C)NC1CC([NH3+])C1 ZINC000227686366 345039758 /nfs/dbraw/zinc/03/97/58/345039758.db2.gz BWGYFIZOSCVHBP-XNWIYYODSA-N 1 3 243.351 0.979 10 0 BCAEHO Cc1cn[nH]c1CN1C[C@H](C)[C@H](C[NH3+])C1 ZINC000634999719 345200751 /nfs/dbraw/zinc/20/07/51/345200751.db2.gz YHNKYDXKAGQLTG-VHSXEESVSA-N 1 3 208.309 0.745 10 0 BCAEHO CCN(C[C@@H]1CCC[N@@H+]1C)C(=O)[C@@H](C)N ZINC000211696968 323090156 /nfs/dbraw/zinc/09/01/56/323090156.db2.gz VTDUWTNWSKWRBA-ZJUUUORDSA-N 1 3 213.325 0.276 10 0 BCAEHO CCN(C[C@@H]1CCC[N@H+]1C)C(=O)[C@@H](C)N ZINC000211696968 323090157 /nfs/dbraw/zinc/09/01/57/323090157.db2.gz VTDUWTNWSKWRBA-ZJUUUORDSA-N 1 3 213.325 0.276 10 0 BCAEHO CN(C)[C@H]1CCN(C(=O)CCCC[NH3+])C1 ZINC000069734345 349957311 /nfs/dbraw/zinc/95/73/11/349957311.db2.gz MDWJRZLVPJLCKH-JTQLQIEISA-N 1 3 213.325 0.278 10 0 BCAEHO Cc1ccccc1CN(CC[NH+](C)C)C(=O)CN ZINC000076635888 179271182 /nfs/dbraw/zinc/27/11/82/179271182.db2.gz IJTIBJAXSULSQW-UHFFFAOYSA-N 1 3 249.358 0.844 10 0 BCAEHO CC(C)C[C@H](N)C(=O)NCC[C@@H](C)[NH3+] ZINC000308841473 348772783 /nfs/dbraw/zinc/77/27/83/348772783.db2.gz KHOLBUFKBKWUMA-BDAKNGLRSA-N 1 3 201.314 0.213 10 0 BCAEHO CN[C@H](C)C(=O)NCCC[N@@H+]1CCCC[C@H]1C ZINC000054071597 348873811 /nfs/dbraw/zinc/87/38/11/348873811.db2.gz ZMOCDAXUAVMZRA-VXGBXAGGSA-N 1 3 241.379 0.975 10 0 BCAEHO CN[C@H](C)C(=O)NCCC[N@H+]1CCCC[C@H]1C ZINC000054071597 348873813 /nfs/dbraw/zinc/87/38/13/348873813.db2.gz ZMOCDAXUAVMZRA-VXGBXAGGSA-N 1 3 241.379 0.975 10 0 BCAEHO C[NH2+][C@H](C)C(=O)N[C@@H](CC(C)C)CN(C)C ZINC000054072701 348888586 /nfs/dbraw/zinc/88/85/86/348888586.db2.gz LKRCLLCBZZWERH-MNOVXSKESA-N 1 3 229.368 0.687 10 0 BCAEHO CC[N@@H+]1CC[C@H](CNC(=O)[C@@H](C)NC)C1 ZINC000054074448 348889671 /nfs/dbraw/zinc/88/96/71/348889671.db2.gz PRYYJHYAMLSLIS-NXEZZACHSA-N 1 3 213.325 0.052 10 0 BCAEHO CC[N@H+]1CC[C@H](CNC(=O)[C@@H](C)NC)C1 ZINC000054074448 348889673 /nfs/dbraw/zinc/88/96/73/348889673.db2.gz PRYYJHYAMLSLIS-NXEZZACHSA-N 1 3 213.325 0.052 10 0 BCAEHO C[NH+](C)[C@H]1CCN(C(=O)[C@H](N)CC(F)F)C1 ZINC000309370839 350355230 /nfs/dbraw/zinc/35/52/30/350355230.db2.gz BDAJJTWVJUJHTK-JGVFFNPUSA-N 1 3 235.278 0.131 10 0 BCAEHO CCC[C@H](N)C(=O)N1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000309506093 350679160 /nfs/dbraw/zinc/67/91/60/350679160.db2.gz VWVYYWGDYGWZAR-BBBLOLIVSA-N 1 3 213.325 0.310 10 0 BCAEHO [NH3+]CCN1CCN[C@H](c2ccccc2CCO)C1 ZINC000616604216 350792512 /nfs/dbraw/zinc/79/25/12/350792512.db2.gz WGYSQDFFMTWRPE-AWEZNQCLSA-N 1 3 249.358 0.126 10 0 BCAEHO [NH3+]CCN1CCNC[C@H]1c1ccccc1CO ZINC000616604859 350793351 /nfs/dbraw/zinc/79/33/51/350793351.db2.gz QLJRWXRTGJEXBN-ZDUSSCGKSA-N 1 3 235.331 0.084 10 0 BCAEHO NCC[N@@H+]1CC[C@@H](c2ccccc2CCO)C1 ZINC000616614627 350836341 /nfs/dbraw/zinc/83/63/41/350836341.db2.gz SSVJZEZJPMGOKD-CYBMUJFWSA-N 1 3 234.343 0.969 10 0 BCAEHO NCC[N@H+]1CC[C@@H](c2ccccc2CCO)C1 ZINC000616614627 350836342 /nfs/dbraw/zinc/83/63/42/350836342.db2.gz SSVJZEZJPMGOKD-CYBMUJFWSA-N 1 3 234.343 0.969 10 0 BCAEHO C[C@H]1CN(CCC(C)(C)O)CC[C@H]1[NH3+] ZINC000251617986 350899329 /nfs/dbraw/zinc/89/93/29/350899329.db2.gz DTWMURPQVFZWQE-VHSXEESVSA-N 1 3 200.326 0.817 10 0 BCAEHO CCN1CCC[C@@H]1CN(C)C(=O)[C@H](C)[NH2+]C ZINC000252583920 350912891 /nfs/dbraw/zinc/91/28/91/350912891.db2.gz YXKVOCIHHPFKTM-WDEREUQCSA-N 1 3 227.352 0.537 10 0 BCAEHO C[C@@H]1CC[N@H+](CCC(C)(C)O)C[C@H]1N ZINC000252609715 350913322 /nfs/dbraw/zinc/91/33/22/350913322.db2.gz UCVOGPRXVDRZCG-NXEZZACHSA-N 1 3 200.326 0.817 10 0 BCAEHO C[C@@H]1CC[N@@H+](CCC(C)(C)O)C[C@H]1N ZINC000252609715 350913326 /nfs/dbraw/zinc/91/33/26/350913326.db2.gz UCVOGPRXVDRZCG-NXEZZACHSA-N 1 3 200.326 0.817 10 0 BCAEHO NCC[N@@H+]1CCCC[C@@H](c2ncc[nH]2)C1 ZINC000616629737 351100702 /nfs/dbraw/zinc/10/07/02/351100702.db2.gz PRAKFAKRTFAZEF-SNVBAGLBSA-N 1 3 208.309 0.938 10 0 BCAEHO NCC[N@H+]1CCCC[C@@H](c2ncc[nH]2)C1 ZINC000616629737 351100703 /nfs/dbraw/zinc/10/07/03/351100703.db2.gz PRAKFAKRTFAZEF-SNVBAGLBSA-N 1 3 208.309 0.938 10 0 BCAEHO CCN1CCC[C@@H](NC(=O)C2=CC[C@H]([NH3+])C2)C1 ZINC000638080813 351953572 /nfs/dbraw/zinc/95/35/72/351953572.db2.gz RBSQFSWVJFIMOA-NWDGAFQWSA-N 1 3 237.347 0.634 10 0 BCAEHO CN(C)[C@H]1CCN(C(=O)C2=CC[C@@H]([NH3+])C2)C1 ZINC000638276152 352112998 /nfs/dbraw/zinc/11/29/98/352112998.db2.gz QVFFATHFFMFTSP-MNOVXSKESA-N 1 3 223.320 0.196 10 0 BCAEHO CCN1CCC[C@@H](NC(=O)[C@@H]([NH3+])C(C)C)C1 ZINC000040503486 352598232 /nfs/dbraw/zinc/59/82/32/352598232.db2.gz XXOAJFFHLCDXKS-MNOVXSKESA-N 1 3 227.352 0.570 10 0 BCAEHO CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H](N)C(C)(C)C)C1 ZINC000040503495 352598556 /nfs/dbraw/zinc/59/85/56/352598556.db2.gz QQKJRLUYJAXTQJ-GHMZBOCLSA-N 1 3 241.379 0.960 10 0 BCAEHO CC[N@H+]1CCC[C@@H](NC(=O)[C@@H](N)C(C)(C)C)C1 ZINC000040503495 352598560 /nfs/dbraw/zinc/59/85/60/352598560.db2.gz QQKJRLUYJAXTQJ-GHMZBOCLSA-N 1 3 241.379 0.960 10 0 BCAEHO CC(C)C[C@@H](C[NH+](C)C)NC(=O)C(C)(C)N ZINC000040921094 352600431 /nfs/dbraw/zinc/60/04/31/352600431.db2.gz SZLDNJYPXOEWTA-JTQLQIEISA-N 1 3 229.368 0.816 10 0 BCAEHO CC(C)N(C)C(=O)CN1CCC[C@H](CC[NH3+])C1 ZINC000070074269 188048018 /nfs/dbraw/zinc/04/80/18/188048018.db2.gz JBDQEGOAZABLMZ-GFCCVEGCSA-N 1 3 241.379 0.914 10 0 BCAEHO CC(C)[C@@H](N)C(=O)N[C@@H]1CCC[NH2+][C@H]1C ZINC000261573408 535206180 /nfs/dbraw/zinc/20/61/80/535206180.db2.gz IUGVXTLMVKZRLZ-IVZWLZJFSA-N 1 3 213.325 0.226 10 0 BCAEHO C[C@H]1CN2CCC[C@H]2CN1C(=O)C(C)(C)C[NH3+] ZINC000251832112 353292589 /nfs/dbraw/zinc/29/25/89/353292589.db2.gz PQMCMWVLTQOARQ-QWRGUYRKSA-N 1 3 239.363 0.666 10 0 BCAEHO CC(C)C[C@H](CN(C)C)NC(=O)CC[NH3+] ZINC000037001274 188279889 /nfs/dbraw/zinc/27/98/89/188279889.db2.gz GRFWDJNKVVQXCQ-SNVBAGLBSA-N 1 3 215.341 0.428 10 0 BCAEHO C[C@@H]1C[C@H](NC(=O)[C@H]2CC[C@@H]([NH3+])C2)CCN1C ZINC000252128058 353297068 /nfs/dbraw/zinc/29/70/68/353297068.db2.gz LQRNZVNQSURALF-WRWGMCAJSA-N 1 3 239.363 0.713 10 0 BCAEHO CC(C)COC[C@@H](O)CN[C@@H](C)CC[NH+](C)C ZINC000049557140 188299284 /nfs/dbraw/zinc/29/92/84/188299284.db2.gz KQGFXQQBOUKIEQ-STQMWFEESA-N 1 3 246.395 0.950 10 0 BCAEHO CC(C)C[C@@H](N)C(=O)N[C@H](C)C[NH+]1CCCC1 ZINC000049184783 188299292 /nfs/dbraw/zinc/29/92/92/188299292.db2.gz RMKLOFAMYKZNNT-VXGBXAGGSA-N 1 3 241.379 0.960 10 0 BCAEHO NC(=[NH2+])c1cccc(CN2CCC[C@@H]2CO)c1 ZINC000042432929 181196286 /nfs/dbraw/zinc/19/62/86/181196286.db2.gz GDBOWMXYSNAMHT-GFCCVEGCSA-N 1 3 233.315 0.927 10 0 BCAEHO CCC[C@H](N)C(=O)NCC[N@H+](C)[C@@H](C)CC ZINC000167194633 355968979 /nfs/dbraw/zinc/96/89/79/355968979.db2.gz BBNLTPVRYGFARK-QWRGUYRKSA-N 1 3 229.368 0.960 10 0 BCAEHO CCC[C@H](N)C(=O)NCC[N@@H+](C)[C@@H](C)CC ZINC000167194633 355968983 /nfs/dbraw/zinc/96/89/83/355968983.db2.gz BBNLTPVRYGFARK-QWRGUYRKSA-N 1 3 229.368 0.960 10 0 BCAEHO CCC[C@H](N)C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000390548689 357103532 /nfs/dbraw/zinc/10/35/32/357103532.db2.gz NSEHGLMVXCQCTA-ZJUUUORDSA-N 1 3 213.325 0.230 10 0 BCAEHO CCC[C@H](N)C(=O)N1CC[C@@H]([NH3+])C[C@H]1C ZINC000390445535 357093576 /nfs/dbraw/zinc/09/35/76/357093576.db2.gz XJVSAUFVIVUECJ-BBBLOLIVSA-N 1 3 213.325 0.452 10 0 BCAEHO C[NH2+]C[C@@H](C)C(=O)N1CC[C@@H](N(C)C)C1 ZINC000086068962 358210275 /nfs/dbraw/zinc/21/02/75/358210275.db2.gz AKKGDXZFOSLDOG-NXEZZACHSA-N 1 3 213.325 0.004 10 0 BCAEHO CCN1CCC[C@H](NC(=O)C[NH2+]C2CC2)C1 ZINC000040503650 358237653 /nfs/dbraw/zinc/23/76/53/358237653.db2.gz KJZJSRSJRPNMCO-NSHDSACASA-N 1 3 225.336 0.339 10 0 BCAEHO CCC[C@@H](N)C(=O)NCC1CC[NH2+]CC1 ZINC000225289878 358247614 /nfs/dbraw/zinc/24/76/14/358247614.db2.gz RHBVJORSGLDWCF-SNVBAGLBSA-N 1 3 213.325 0.230 10 0 BCAEHO CC[C@@H](N)C(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000086932284 359592054 /nfs/dbraw/zinc/59/20/54/359592054.db2.gz HBXIQPSTUIZWQX-HBNTYKKESA-N 1 3 225.336 0.419 10 0 BCAEHO CC[C@@H](N)C(=O)N1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC000086932284 359592056 /nfs/dbraw/zinc/59/20/56/359592056.db2.gz HBXIQPSTUIZWQX-HBNTYKKESA-N 1 3 225.336 0.419 10 0 BCAEHO C[C@H](N)C(C)(C)C[N@@H+]1C[C@@H](O)C[C@H]1C ZINC000306518236 360345999 /nfs/dbraw/zinc/34/59/99/360345999.db2.gz GVAZJHSQPOFVEV-UTLUCORTSA-N 1 3 200.326 0.815 10 0 BCAEHO C[C@H](N)C(C)(C)C[N@H+]1C[C@@H](O)C[C@H]1C ZINC000306518236 360346003 /nfs/dbraw/zinc/34/60/03/360346003.db2.gz GVAZJHSQPOFVEV-UTLUCORTSA-N 1 3 200.326 0.815 10 0 BCAEHO C[C@H]([NH3+])C(C)(C)CN1C[C@@H](O)C[C@H]1C ZINC000306518236 360346006 /nfs/dbraw/zinc/34/60/06/360346006.db2.gz GVAZJHSQPOFVEV-UTLUCORTSA-N 1 3 200.326 0.815 10 0 BCAEHO C[C@H](CN1CCSC[C@H]1C)C(N)=[NH2+] ZINC000069761058 360409408 /nfs/dbraw/zinc/40/94/08/360409408.db2.gz JBPGQCCKYLLMBL-HTQZYQBOSA-N 1 3 201.339 0.996 10 0 BCAEHO C[C@H](NC[C@H]1COCCN1C)[C@@H]1CCC[NH2+]C1 ZINC000629532868 361155974 /nfs/dbraw/zinc/15/59/74/361155974.db2.gz WZLBWPFBRBFUGY-XQQFMLRXSA-N 1 3 241.379 0.295 10 0 BCAEHO [NH3+]C1CCC(C(=O)NCCN2CCCC2)CC1 ZINC000037626216 181340755 /nfs/dbraw/zinc/34/07/55/181340755.db2.gz QSHCAHYINJODBV-UHFFFAOYSA-N 1 3 239.363 0.716 10 0 BCAEHO [NH3+]C1CCC(N2CCNC(=O)CC2)CC1 ZINC000062100685 181341167 /nfs/dbraw/zinc/34/11/67/181341167.db2.gz COQIVFVHEBYBLN-UHFFFAOYSA-N 1 3 211.309 0.078 10 0 BCAEHO [NH3+]C1C[C@H]2CCC[C@@H](C1)N2[C@@H]1CCC(=O)NC1 ZINC000104251775 181345307 /nfs/dbraw/zinc/34/53/07/181345307.db2.gz WYWHFHQGHJJKKJ-FGNRJIRKSA-N 1 3 237.347 0.609 10 0 BCAEHO N[C@H](CCCC[NH3+])C(=O)N1CC=CCC1 ZINC000027554616 181378143 /nfs/dbraw/zinc/37/81/43/181378143.db2.gz PRNZLJDYWPQSQN-SNVBAGLBSA-N 1 3 211.309 0.231 10 0 BCAEHO [NH3+]CCN1CCCN(c2ccncc2)CC1 ZINC000037039480 181391704 /nfs/dbraw/zinc/39/17/04/181391704.db2.gz KAAZALYCNNFDNH-UHFFFAOYSA-N 1 3 220.320 0.552 10 0 BCAEHO CC(C)CN1CCN(C[C@H]2CC[NH2+]2)CC1 ZINC000384821507 541515448 /nfs/dbraw/zinc/51/54/48/541515448.db2.gz QJXQPSQZKSUBJH-GFCCVEGCSA-N 1 3 211.353 0.622 10 0 BCAEHO CCC[C@@H](N)C(=O)N1CC[C@@H](C[NH2+]C)C1 ZINC000381148942 367356011 /nfs/dbraw/zinc/35/60/11/367356011.db2.gz ACCAJTZEMIRQKF-VHSXEESVSA-N 1 3 213.325 0.182 10 0 BCAEHO CCC[C@H](N)C(=O)NCCC[NH2+]C(C)C ZINC000381790993 367458116 /nfs/dbraw/zinc/45/81/16/367458116.db2.gz ZVHGCDMGSWBBSJ-JTQLQIEISA-N 1 3 215.341 0.618 10 0 BCAEHO CC[N@H+](C)C[C@H](O)CN1CCC[C@@H]1CCCO ZINC000383569399 367641428 /nfs/dbraw/zinc/64/14/28/367641428.db2.gz JTPVAIXGQUAZNP-OLZOCXBDSA-N 1 3 244.379 0.536 10 0 BCAEHO CC[N@@H+](C)C[C@H](O)CN1CCC[C@@H]1CCCO ZINC000383569399 367641433 /nfs/dbraw/zinc/64/14/33/367641433.db2.gz JTPVAIXGQUAZNP-OLZOCXBDSA-N 1 3 244.379 0.536 10 0 BCAEHO C[NH2+][C@H](C)C(=O)NCCN(C)Cc1ccccc1 ZINC000386730201 368014117 /nfs/dbraw/zinc/01/41/17/368014117.db2.gz AZHJRJRWLJRAGX-GFCCVEGCSA-N 1 3 249.358 0.843 10 0 BCAEHO C[C@@H](CN1CCS[C@H](C)C1)C(N)=[NH2+] ZINC000252978266 368177305 /nfs/dbraw/zinc/17/73/05/368177305.db2.gz BBZBDTXVVZWIGZ-JGVFFNPUSA-N 1 3 201.339 0.996 10 0 BCAEHO CN(C)[C@H]1CCCN(C(=O)[C@@]2(C)CCC[NH2+]2)C1 ZINC000091392099 369010607 /nfs/dbraw/zinc/01/06/07/369010607.db2.gz NYSVIBSXTYSENB-WCQYABFASA-N 1 3 239.363 0.681 10 0 BCAEHO C[C@@H]([NH3+])C(C)(C)CN1CCC[C@@H](O)C1 ZINC000227289668 371824060 /nfs/dbraw/zinc/82/40/60/371824060.db2.gz GTWNQWSDPCVZHQ-NXEZZACHSA-N 1 3 200.326 0.817 10 0 BCAEHO Cc1noc(CCCN2C[C@@H](C)[C@@H](C[NH3+])C2)n1 ZINC000631837063 372626519 /nfs/dbraw/zinc/62/65/19/372626519.db2.gz MJHGGDLPEDEBRP-KOLCDFICSA-N 1 3 238.335 0.837 10 0 BCAEHO Cc1noc(CCCN2C[C@H](C)[C@H](C[NH3+])C2)n1 ZINC000631837062 372627960 /nfs/dbraw/zinc/62/79/60/372627960.db2.gz MJHGGDLPEDEBRP-GXSJLCMTSA-N 1 3 238.335 0.837 10 0 BCAEHO C[C@H]1CN(CCc2cnn(C)c2)C[C@H]1C[NH3+] ZINC000631837733 372628666 /nfs/dbraw/zinc/62/86/66/372628666.db2.gz DSMXOYCIZOHLEP-CMPLNLGQSA-N 1 3 222.336 0.489 10 0 BCAEHO C[C@H]1C[N@H+](CCCN2CCOCC2)C[C@H]1CN ZINC000631838590 372634660 /nfs/dbraw/zinc/63/46/60/372634660.db2.gz QURIGKCMBZXPFM-QWHCGFSZSA-N 1 3 241.379 0.235 10 0 BCAEHO C[C@H]1C[N@@H+](CCCN2CCOCC2)C[C@H]1CN ZINC000631838590 372634661 /nfs/dbraw/zinc/63/46/61/372634661.db2.gz QURIGKCMBZXPFM-QWHCGFSZSA-N 1 3 241.379 0.235 10 0 BCAEHO C[C@H]1CN(CCCN2CCOCC2)C[C@H]1C[NH3+] ZINC000631838590 372634665 /nfs/dbraw/zinc/63/46/65/372634665.db2.gz QURIGKCMBZXPFM-QWHCGFSZSA-N 1 3 241.379 0.235 10 0 BCAEHO O=C(C[C@H]1CC[NH2+]C1)N1CCN2CCC[C@H]2C1 ZINC000246836016 182029779 /nfs/dbraw/zinc/02/97/79/182029779.db2.gz DDRSYEMVGYEYBQ-NEPJUHHUSA-N 1 3 237.347 0.293 10 0 BCAEHO OC[C@H]1CC[N@H+](CCCN2CCCC2)C1 ZINC000049474429 183151669 /nfs/dbraw/zinc/15/16/69/183151669.db2.gz AIEATRLNESKNPB-LBPRGKRZSA-N 1 3 212.337 0.787 10 0 BCAEHO OC[C@H]1CC[N@@H+](CCCN2CCCC2)C1 ZINC000049474429 183151671 /nfs/dbraw/zinc/15/16/71/183151671.db2.gz AIEATRLNESKNPB-LBPRGKRZSA-N 1 3 212.337 0.787 10 0 BCAEHO OC[C@H]([C@H]1CC=CCC1)N1CCC[NH2+]CC1 ZINC000038117503 183144886 /nfs/dbraw/zinc/14/48/86/183144886.db2.gz NMVWNLHHTIGZDK-QWHCGFSZSA-N 1 3 224.348 0.999 10 0 BCAEHO CCCN(CC(=O)N(C)CCC[NH3+])CC1CC1 ZINC000035452164 169092808 /nfs/dbraw/zinc/09/28/08/169092808.db2.gz XRCQWKHRNSJJFU-UHFFFAOYSA-N 1 3 241.379 0.916 10 0 BCAEHO CCC[NH+]1CCC(N2CC[C@H](N)C2=O)CC1 ZINC000049660252 169187287 /nfs/dbraw/zinc/18/72/87/169187287.db2.gz LCVSQHHWIJZXJU-NSHDSACASA-N 1 3 225.336 0.420 10 0 BCAEHO CCC[NH+]1CCC([C@H](C)N[C@H](C)C(N)=O)CC1 ZINC000035792324 169190873 /nfs/dbraw/zinc/19/08/73/169190873.db2.gz MGNBCZXQKHXLDV-WDEREUQCSA-N 1 3 241.379 0.960 10 0 BCAEHO CCC[NH+]1CCC([C@@H](C)N[C@H](C)C(N)=O)CC1 ZINC000035792320 169191487 /nfs/dbraw/zinc/19/14/87/169191487.db2.gz MGNBCZXQKHXLDV-GHMZBOCLSA-N 1 3 241.379 0.960 10 0 BCAEHO CCCN1CCN(C[C@H]2CC[NH2+]C2)CC1 ZINC000051889288 169203881 /nfs/dbraw/zinc/20/38/81/169203881.db2.gz XWTNTLKOHWWCAG-LBPRGKRZSA-N 1 3 211.353 0.624 10 0 BCAEHO CCCN1CCN([C@H]2CCC[NH2+]C2)CC1 ZINC000037246759 169204588 /nfs/dbraw/zinc/20/45/88/169204588.db2.gz MRUKXWNGLFJDGE-LBPRGKRZSA-N 1 3 211.353 0.766 10 0 BCAEHO CCC[C@@H](N)C(=O)N(C)C[C@H]1CC[N@H+](C)C1 ZINC000070822571 169387046 /nfs/dbraw/zinc/38/70/46/169387046.db2.gz PNVVTVXFWQKTFV-WDEREUQCSA-N 1 3 227.352 0.524 10 0 BCAEHO CCC[C@@H](N)C(=O)N(C)C[C@H]1CC[N@@H+](C)C1 ZINC000070822571 169387048 /nfs/dbraw/zinc/38/70/48/169387048.db2.gz PNVVTVXFWQKTFV-WDEREUQCSA-N 1 3 227.352 0.524 10 0 BCAEHO CCC[C@@H](N)C(=O)NCC1(C)CC[NH2+]CC1 ZINC000181283932 169389272 /nfs/dbraw/zinc/38/92/72/169389272.db2.gz OOOAPBFDMIBZBW-SNVBAGLBSA-N 1 3 227.352 0.620 10 0 BCAEHO COC(=O)CCN1CCCC[C@H]1CC[NH3+] ZINC000069721053 383840600 /nfs/dbraw/zinc/84/06/00/383840600.db2.gz UBVSETMIRVBZBE-JTQLQIEISA-N 1 3 214.309 0.753 10 0 BCAEHO COC(=O)CCN1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000070534451 383934836 /nfs/dbraw/zinc/93/48/36/383934836.db2.gz XJSHNLRNDCIBPB-NXEZZACHSA-N 1 3 214.309 0.609 10 0 BCAEHO COC(=O)CCN1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000132379475 384186590 /nfs/dbraw/zinc/18/65/90/384186590.db2.gz LEQVYWQQKMCVNZ-RKDXNWHRSA-N 1 3 200.282 0.219 10 0 BCAEHO C[C@H](NC[C@@H]1CCCN1C)[C@@H]1CC[NH2+]C1 ZINC000400343485 384195237 /nfs/dbraw/zinc/19/52/37/384195237.db2.gz IFCGKZZSZVVEKY-TUAOUCFPSA-N 1 3 211.353 0.668 10 0 BCAEHO COC(=O)CCN1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000228546357 384274651 /nfs/dbraw/zinc/27/46/51/384274651.db2.gz OQFVVOWRINPWNE-HBNTYKKESA-N 1 3 226.320 0.609 10 0 BCAEHO O=C(CNCC1CC[NH2+]CC1)c1ccc[nH]1 ZINC000095072815 384345329 /nfs/dbraw/zinc/34/53/29/384345329.db2.gz MHBPXEPQMIGZRB-UHFFFAOYSA-N 1 3 221.304 0.787 10 0 BCAEHO CCCCN(C)CCNC(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000236713220 384556995 /nfs/dbraw/zinc/55/69/95/384556995.db2.gz SWEJAHJATFWWBT-NWDGAFQWSA-N 1 3 241.379 0.962 10 0 BCAEHO CCC1([NH+]2CCNCC2)CCN(C)CC1 ZINC000039101536 384827496 /nfs/dbraw/zinc/82/74/96/384827496.db2.gz DZQVYTWHRDCJJG-UHFFFAOYSA-N 1 3 211.353 0.766 10 0 BCAEHO CN(C)C[C@@H]1CCCN1C(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000227794701 385239310 /nfs/dbraw/zinc/23/93/10/385239310.db2.gz RVYHMNRSLRTUGI-UTUOFQBUSA-N 1 3 239.363 0.666 10 0 BCAEHO CN(C)C1CC[NH+](CC(C)(C)O)CC1 ZINC000037694126 385309474 /nfs/dbraw/zinc/30/94/74/385309474.db2.gz QCAAJVHGOUIUDD-UHFFFAOYSA-N 1 3 200.326 0.783 10 0 BCAEHO C[NH2+][C@H](C)C(=O)NC1CCN(C2CC2)CC1 ZINC000054074231 385597582 /nfs/dbraw/zinc/59/75/82/385597582.db2.gz QCMNKDRKDXBOBV-SECBINFHSA-N 1 3 225.336 0.337 10 0 BCAEHO CC(C)[C@@H](N)C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000062972198 385734543 /nfs/dbraw/zinc/73/45/43/385734543.db2.gz MPULQAZKGXFYJC-NXEZZACHSA-N 1 3 213.325 0.132 10 0 BCAEHO C[C@]1(C(=O)N2CCN3CCC[C@@H]3C2)CC[NH2+]C1 ZINC000062895517 386529142 /nfs/dbraw/zinc/52/91/42/386529142.db2.gz LKNQNJCHPZGGAS-YPMHNXCESA-N 1 3 237.347 0.293 10 0 BCAEHO Cc1cn[nH]c1CN[C@H]1CCC[C@H]1C[NH3+] ZINC000414799106 386578483 /nfs/dbraw/zinc/57/84/83/386578483.db2.gz JNSQCBTXWTXYHF-UWVGGRQHSA-N 1 3 208.309 0.935 10 0 BCAEHO Cc1cn[nH]c1CN[C@@H]1CCC[C@H]1C[NH3+] ZINC000414799107 386579305 /nfs/dbraw/zinc/57/93/05/386579305.db2.gz JNSQCBTXWTXYHF-VHSXEESVSA-N 1 3 208.309 0.935 10 0 BCAEHO CN(C)[C@@H]1CCN(C(=O)C2CC[NH2+]CC2)C1 ZINC000062972169 386534073 /nfs/dbraw/zinc/53/40/73/386534073.db2.gz FNJXSACZUPTDIP-LLVKDONJSA-N 1 3 225.336 0.149 10 0 BCAEHO CN(C)[C@H]1CCN(C(=O)C2(C[NH3+])CCCC2)C1 ZINC000062967577 386536133 /nfs/dbraw/zinc/53/61/33/386536133.db2.gz RUKISHLNPJJBNL-NSHDSACASA-N 1 3 239.363 0.668 10 0 BCAEHO CN(C)[C@@H]1CCN(C(=O)CC2CC[NH2+]CC2)C1 ZINC000062971957 386536212 /nfs/dbraw/zinc/53/62/12/386536212.db2.gz SFJQCRFZYPHERO-GFCCVEGCSA-N 1 3 239.363 0.539 10 0 BCAEHO CC[C@H](C)[C@@H](N)C(=O)NC[C@H](C1CC1)[NH+](C)C ZINC000262623992 386539529 /nfs/dbraw/zinc/53/95/29/386539529.db2.gz FMZPHROJMMDADC-MVWJERBFSA-N 1 3 241.379 0.816 10 0 BCAEHO CCC[C@H](N)C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000062972411 386668146 /nfs/dbraw/zinc/66/81/46/386668146.db2.gz HPPLERWBOCCRKG-ZJUUUORDSA-N 1 3 213.325 0.276 10 0 BCAEHO C[C@]1(C(=O)N2CCN3CCC[C@H]3C2)CC[NH2+]C1 ZINC000250795152 387122019 /nfs/dbraw/zinc/12/20/19/387122019.db2.gz LKNQNJCHPZGGAS-AAEUAGOBSA-N 1 3 237.347 0.293 10 0 BCAEHO CN(C)[C@@H]1CCN(C(=O)C[C@H]2CCC[NH2+]2)C1 ZINC000062972109 387190229 /nfs/dbraw/zinc/19/02/29/387190229.db2.gz JHYOYKGRFFTHKB-GHMZBOCLSA-N 1 3 225.336 0.291 10 0 BCAEHO C[C@H](CN[C@@H](C)[C@H]1CCC[NH2+]C1)N(C)C ZINC000643454665 387384364 /nfs/dbraw/zinc/38/43/64/387384364.db2.gz LRHUIKTZOINDRN-WOPDTQHZSA-N 1 3 213.369 0.914 10 0 BCAEHO C[C@@H]1NC(=O)CC[C@H]1[NH2+]CC[C@H]1CCCN1C ZINC000440964590 387718855 /nfs/dbraw/zinc/71/88/55/387718855.db2.gz RRBVOLWVDRIZDJ-QJPTWQEYSA-N 1 3 239.363 0.727 10 0 BCAEHO C[C@@H]1NC(=O)CC[C@H]1NCC[C@H]1CCC[N@@H+]1C ZINC000440964590 387718856 /nfs/dbraw/zinc/71/88/56/387718856.db2.gz RRBVOLWVDRIZDJ-QJPTWQEYSA-N 1 3 239.363 0.727 10 0 BCAEHO C[C@@H]1NC(=O)CC[C@H]1NCC[C@H]1CCC[N@H+]1C ZINC000440964590 387718863 /nfs/dbraw/zinc/71/88/63/387718863.db2.gz RRBVOLWVDRIZDJ-QJPTWQEYSA-N 1 3 239.363 0.727 10 0 BCAEHO CN(C)[C@H]1CCN(C(=O)[C@]2(C)CCCC[NH2+]2)C1 ZINC000133443535 387799728 /nfs/dbraw/zinc/79/97/28/387799728.db2.gz RDJSHVBUEXULPC-AAEUAGOBSA-N 1 3 239.363 0.681 10 0 BCAEHO CC[C@H]([NH3+])C(=O)N[C@@H]1CCCN(CC)C1 ZINC000040503634 387835999 /nfs/dbraw/zinc/83/59/99/387835999.db2.gz JFXCAGRZGXVKIM-ZJUUUORDSA-N 1 3 213.325 0.324 10 0 BCAEHO CC(C)(C)CCNC[C@@H]1C[NH2+]C[C@@H]1O ZINC000261527864 135152554 /nfs/dbraw/zinc/15/25/54/135152554.db2.gz AKMXCUFRJCQQBO-ZJUUUORDSA-N 1 3 200.326 0.593 10 0 BCAEHO O[C@@H]1C[NH2+]C[C@H]1CN[C@@H]1CCCSC1 ZINC000261528540 135154256 /nfs/dbraw/zinc/15/42/56/135154256.db2.gz QYPKOILLFGISIH-IVZWLZJFSA-N 1 3 216.350 0.052 10 0 BCAEHO CSCC[C@H](N)C(=O)N[C@@H]1CCC[NH2+][C@H]1C ZINC000193500134 388362130 /nfs/dbraw/zinc/36/21/30/388362130.db2.gz FOLMXAFBLYJHON-LPEHRKFASA-N 1 3 245.392 0.324 10 0 BCAEHO Cc1c[nH+]ccc1NC[C@H]1CNCCO1 ZINC000227786673 388758728 /nfs/dbraw/zinc/75/87/28/388758728.db2.gz CCYDFJJICXRTOC-SNVBAGLBSA-N 1 3 207.277 0.790 10 0 BCAEHO C[C@@H]1CN(C(=O)C2CCN(C)CC2)C[C@@H]1[NH3+] ZINC000565363001 388938655 /nfs/dbraw/zinc/93/86/55/388938655.db2.gz XUPQIKHIUYINIB-KOLCDFICSA-N 1 3 225.336 0.134 10 0 BCAEHO COCCN(C)CCN[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000566091055 388984988 /nfs/dbraw/zinc/98/49/88/388984988.db2.gz YOSSZVPTVPRABU-STQMWFEESA-N 1 3 243.395 0.542 10 0 BCAEHO C[C@@H](NCCN1CCCC1)[C@@H]1CC[NH2+]C1 ZINC000400345643 533394982 /nfs/dbraw/zinc/39/49/82/533394982.db2.gz ITKOMPIOWDFHQS-VXGBXAGGSA-N 1 3 211.353 0.670 10 0 BCAEHO C[C@@H](C[NH3+])CN1CCN(c2ccncc2)CC1 ZINC000037039506 132343295 /nfs/dbraw/zinc/34/32/95/132343295.db2.gz QKFREADXOPDWHL-LBPRGKRZSA-N 1 3 234.347 0.798 10 0 BCAEHO CC(C)N1CCN(c2ccnc(C(N)=[NH2+])c2)CC1 ZINC000061814120 132387326 /nfs/dbraw/zinc/38/73/26/132387326.db2.gz IBPKGIQJKRFJFK-UHFFFAOYSA-N 1 3 247.346 0.896 10 0 BCAEHO [NH3+][C@H]1CC[C@@H](C(=O)N2CCN3CCC2CC3)C1 ZINC000335463695 133854367 /nfs/dbraw/zinc/85/43/67/133854367.db2.gz NIEFICXZNYBSAZ-MNOVXSKESA-N 1 3 237.347 0.420 10 0 BCAEHO CCC[C@@H](N)C(=O)N(CCC)[C@@H]1CC[NH2+]C1 ZINC000178408109 134310098 /nfs/dbraw/zinc/31/00/98/134310098.db2.gz RUUSKMVQMLKYSX-GHMZBOCLSA-N 1 3 227.352 0.714 10 0 BCAEHO CN(CCC[NH+](C)C)[C@H]1CCC[C@H]1O ZINC000250348056 135052621 /nfs/dbraw/zinc/05/26/21/135052621.db2.gz HWKJDQNQRILNDX-WDEREUQCSA-N 1 3 200.326 0.783 10 0 BCAEHO C[C@@H]1CN2CCCC[C@H]2CN1CCC[NH3+] ZINC000251536437 135070558 /nfs/dbraw/zinc/07/05/58/135070558.db2.gz AOFOYTMAOFSNAJ-NEPJUHHUSA-N 1 3 211.353 0.894 10 0 BCAEHO C[C@@H]1[C@@H](CO)CCN1C[C@]1(C)CC[NH2+]C1 ZINC000261545722 135150325 /nfs/dbraw/zinc/15/03/25/135150325.db2.gz KFDXJIKIGBWLPL-IJLUTSLNSA-N 1 3 212.337 0.689 10 0 BCAEHO CCCC[C@H](C[NH3+])NC(=O)[C@H](N)CCC ZINC000261552320 135191317 /nfs/dbraw/zinc/19/13/17/135191317.db2.gz RCBOIUVMCHBFSY-NXEZZACHSA-N 1 3 215.341 0.748 10 0 BCAEHO C[C@H](CC(=O)N(C)C)[NH2+][C@H]1CCCC[C@@H]1CN ZINC000261555874 135196216 /nfs/dbraw/zinc/19/62/16/135196216.db2.gz QEZZSBKJEFYBRO-UTUOFQBUSA-N 1 3 241.379 0.960 10 0 BCAEHO C[C@H](CC(=O)N(C)C)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000261555874 135196218 /nfs/dbraw/zinc/19/62/18/135196218.db2.gz QEZZSBKJEFYBRO-UTUOFQBUSA-N 1 3 241.379 0.960 10 0 BCAEHO C[C@@H]1CCC[C@H](NC[C@@H]2C[NH2+]C[C@@H]2O)C1 ZINC000261558618 135199859 /nfs/dbraw/zinc/19/98/59/135199859.db2.gz YNIAPKKHKHUJKX-RHYQMDGZSA-N 1 3 212.337 0.735 10 0 BCAEHO C[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CNC[C@@H]2O)C1 ZINC000261558618 135199861 /nfs/dbraw/zinc/19/98/61/135199861.db2.gz YNIAPKKHKHUJKX-RHYQMDGZSA-N 1 3 212.337 0.735 10 0 BCAEHO Cn1cc([C@H]2CCCN2CCOCC[NH3+])cn1 ZINC000261563380 135205236 /nfs/dbraw/zinc/20/52/36/135205236.db2.gz XAAYUNXLJDOEDO-GFCCVEGCSA-N 1 3 238.335 0.532 10 0 BCAEHO COC(=O)CCN1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000163807596 135207331 /nfs/dbraw/zinc/20/73/31/135207331.db2.gz GNXUJJRGRMOLOV-UWVGGRQHSA-N 1 3 214.309 0.466 10 0 BCAEHO C[C@@H]1[C@@H]([NH3+])CCN1C(=O)[C@@H](N)C(C)(C)C ZINC000261571647 135214025 /nfs/dbraw/zinc/21/40/25/135214025.db2.gz HQSXQYIGQFGBNF-HRDYMLBCSA-N 1 3 213.325 0.308 10 0 BCAEHO C[C@H](CNC(=O)CC[C@H]1CCC[NH2+]1)N(C)C ZINC000261582724 135223184 /nfs/dbraw/zinc/22/31/84/135223184.db2.gz OPAKKGCSCMOANI-GHMZBOCLSA-N 1 3 227.352 0.585 10 0 BCAEHO NC1(C(=O)N2CCC[C@H]([NH3+])C2)CCCCC1 ZINC000261616851 135244596 /nfs/dbraw/zinc/24/45/96/135244596.db2.gz BBFURUKTFRNXLX-JTQLQIEISA-N 1 3 225.336 0.598 10 0 BCAEHO CN(C)[C@H]1CCCN(C(=O)[C@@H]2CC[NH2+]C2)C1 ZINC000084419997 135248300 /nfs/dbraw/zinc/24/83/00/135248300.db2.gz CJLINAHIVWRNNM-MNOVXSKESA-N 1 3 225.336 0.149 10 0 BCAEHO CCC[C@H](N)C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000084420109 135251009 /nfs/dbraw/zinc/25/10/09/135251009.db2.gz OLXSDACPDGPYHC-QWRGUYRKSA-N 1 3 227.352 0.666 10 0 BCAEHO CCC[C@@H](N)C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000084420115 135251147 /nfs/dbraw/zinc/25/11/47/135251147.db2.gz OLXSDACPDGPYHC-GHMZBOCLSA-N 1 3 227.352 0.666 10 0 BCAEHO CC[C@H](C)[C@@H](N)C(=O)N1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261984323 135269742 /nfs/dbraw/zinc/26/97/42/135269742.db2.gz MIVBCYBZJGXZFE-HBNTYKKESA-N 1 3 241.379 0.946 10 0 BCAEHO C[C@@H]1CCCC[C@@H]1CNC[C@H]1C[NH2+]C[C@@H]1O ZINC000262153469 135282427 /nfs/dbraw/zinc/28/24/27/135282427.db2.gz RNNDNQWNVMJPSU-NDBYEHHHSA-N 1 3 226.364 0.983 10 0 BCAEHO C[C@@H]1CCCC[C@@H]1C[NH2+]C[C@H]1CNC[C@@H]1O ZINC000262153469 135282428 /nfs/dbraw/zinc/28/24/28/135282428.db2.gz RNNDNQWNVMJPSU-NDBYEHHHSA-N 1 3 226.364 0.983 10 0 BCAEHO CCC[C@H](N)C(=O)NCCC[N@H+](C)CCOC ZINC000262164176 135282735 /nfs/dbraw/zinc/28/27/35/135282735.db2.gz VNNIYQDHOVAEJE-NSHDSACASA-N 1 3 245.367 0.198 10 0 BCAEHO CCC[C@H](N)C(=O)NCCC[N@@H+](C)CCOC ZINC000262164176 135282736 /nfs/dbraw/zinc/28/27/36/135282736.db2.gz VNNIYQDHOVAEJE-NSHDSACASA-N 1 3 245.367 0.198 10 0 BCAEHO C[C@@H]1[C@H](C)NCCN1C(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000262738777 135316357 /nfs/dbraw/zinc/31/63/57/135316357.db2.gz DCWSNBVPELJRJP-ZDCRXTMVSA-N 1 3 225.336 0.323 10 0 BCAEHO CCC[C@](C)(N)C(=O)N[C@H]1CCC[NH2+][C@@H]1C ZINC000262839102 135321101 /nfs/dbraw/zinc/32/11/01/135321101.db2.gz WZGWGMVDYXWGLZ-SCVCMEIPSA-N 1 3 227.352 0.761 10 0 BCAEHO CCC1(CNC[C@@H]2C[NH2+]C[C@H]2O)CCOCC1 ZINC000263151978 135335825 /nfs/dbraw/zinc/33/58/25/135335825.db2.gz DDNIGIFGLHWMGH-NWDGAFQWSA-N 1 3 242.363 0.363 10 0 BCAEHO CCC1(C[NH2+]C[C@@H]2CNC[C@H]2O)CCOCC1 ZINC000263151978 135335826 /nfs/dbraw/zinc/33/58/26/135335826.db2.gz DDNIGIFGLHWMGH-NWDGAFQWSA-N 1 3 242.363 0.363 10 0 BCAEHO C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CNC[C@@H]2O)[C@H](C)C1 ZINC000263197152 135338594 /nfs/dbraw/zinc/33/85/94/135338594.db2.gz IPCKRBYZGJCCMY-BNDIWNMDSA-N 1 3 226.364 0.981 10 0 BCAEHO O[C@@H]1C[NH2+]C[C@H]1CN[C@@H]1CCc2ccccc2C1 ZINC000263207355 135339452 /nfs/dbraw/zinc/33/94/52/135339452.db2.gz JXEWBWUFQUMXDU-RRFJBIMHSA-N 1 3 246.354 0.714 10 0 BCAEHO O[C@@H]1C[NH2+]C[C@@H]1CN[C@H]1CCc2ccccc2C1 ZINC000263207351 135339668 /nfs/dbraw/zinc/33/96/68/135339668.db2.gz JXEWBWUFQUMXDU-QLFBSQMISA-N 1 3 246.354 0.714 10 0 BCAEHO O[C@@H]1CNC[C@@H]1C[NH2+][C@@H]1CCC[C@H]1C1CC1 ZINC000263239825 135341624 /nfs/dbraw/zinc/34/16/24/135341624.db2.gz OKHPVLBSUWXGIL-YVECIDJPSA-N 1 3 224.348 0.735 10 0 BCAEHO C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)C1C[NH2+]C1 ZINC000263236825 135341947 /nfs/dbraw/zinc/34/19/47/135341947.db2.gz BSTOAUPPVGYIAG-MWLCHTKSSA-N 1 3 225.336 0.004 10 0 BCAEHO C[C@@H]1CCC[C@H](CNC[C@H]2C[NH2+]C[C@@H]2O)C1 ZINC000263301589 135344917 /nfs/dbraw/zinc/34/49/17/135344917.db2.gz XCFXMXQNAMHOHZ-VOAKCMCISA-N 1 3 226.364 0.983 10 0 BCAEHO C[C@@H]1CCC[C@H](C[NH2+]C[C@H]2CNC[C@@H]2O)C1 ZINC000263301589 135344918 /nfs/dbraw/zinc/34/49/18/135344918.db2.gz XCFXMXQNAMHOHZ-VOAKCMCISA-N 1 3 226.364 0.983 10 0 BCAEHO C[NH2+][C@H](C)C(=O)N[C@H](C)CN1CCCCC1 ZINC000054072624 322855363 /nfs/dbraw/zinc/85/53/63/322855363.db2.gz RFBNYSPUEOMWFN-GHMZBOCLSA-N 1 3 227.352 0.585 10 0 BCAEHO CC[C@H]1CN2CCCC[C@@H]2CN1CC[NH3+] ZINC000383405767 398018495 /nfs/dbraw/zinc/01/84/95/398018495.db2.gz AGKCUIXWDAOWOX-NWDGAFQWSA-N 1 3 211.353 0.894 10 0 BCAEHO C[NH2+]CCN1CCN(C2CCCC2)CC1 ZINC000052061334 173354231 /nfs/dbraw/zinc/35/42/31/173354231.db2.gz VSPXMHDOQNRNIO-UHFFFAOYSA-N 1 3 211.353 0.766 10 0 BCAEHO COCCN1CC[C@@H](C)[NH2+]C[C@@H](C)C1 ZINC000049665417 174311295 /nfs/dbraw/zinc/31/12/95/174311295.db2.gz SFTHUMNDOQITPI-GHMZBOCLSA-N 1 3 200.326 0.953 10 0 BCAEHO CC(C)[C@@H](CN(C)C)NC(=O)C[NH2+]CC1CC1 ZINC000049221224 167395262 /nfs/dbraw/zinc/39/52/62/167395262.db2.gz NYIJMOUGQYNARB-GFCCVEGCSA-N 1 3 241.379 0.688 10 0 BCAEHO CC(C)[C@@H](CN)[N@H+](C)C1CCN(C)CC1 ZINC000022167845 167397446 /nfs/dbraw/zinc/39/74/46/167397446.db2.gz FHNYQIMEDWKYJL-GFCCVEGCSA-N 1 3 213.369 0.996 10 0 BCAEHO CC(C)[C@@H](CN)[N@@H+](C)C1CCN(C)CC1 ZINC000022167845 167397450 /nfs/dbraw/zinc/39/74/50/167397450.db2.gz FHNYQIMEDWKYJL-GFCCVEGCSA-N 1 3 213.369 0.996 10 0 BCAEHO CN(CCN1CC[NH2+]CC1)C[C@H]1CCCO1 ZINC000042308781 410988882 /nfs/dbraw/zinc/98/88/82/410988882.db2.gz KMNPAJQDDSHUGX-GFCCVEGCSA-N 1 3 227.352 0.002 10 0 BCAEHO C[C@H](CC1CCC1)NC[C@@H]1C[NH2+]C[C@H]1O ZINC000310002525 411194383 /nfs/dbraw/zinc/19/43/83/411194383.db2.gz FIOPWGJPLQXIMS-ADEWGFFLSA-N 1 3 212.337 0.735 10 0 BCAEHO C[C@H](CC1CCC1)[NH2+]C[C@@H]1CNC[C@H]1O ZINC000310002525 411194395 /nfs/dbraw/zinc/19/43/95/411194395.db2.gz FIOPWGJPLQXIMS-ADEWGFFLSA-N 1 3 212.337 0.735 10 0 BCAEHO C[NH+](C)[C@@H]1CCN(C(=O)C2(N)CCCC2)C1 ZINC000062972339 411335165 /nfs/dbraw/zinc/33/51/65/411335165.db2.gz XSYCJJAEQRAMDF-SNVBAGLBSA-N 1 3 225.336 0.420 10 0 BCAEHO CC[NH+]1CCC(NCCN2CCOCC2)CC1 ZINC000019953933 169954162 /nfs/dbraw/zinc/95/41/62/169954162.db2.gz DQOVVPGNJYEVCS-UHFFFAOYSA-N 1 3 241.379 0.393 10 0 BCAEHO CCN1CCC(NC(=O)[C@@H]2CC[C@H]([NH3+])C2)CC1 ZINC000091543214 169954920 /nfs/dbraw/zinc/95/49/20/169954920.db2.gz HBMKDIZRNIWEIP-MNOVXSKESA-N 1 3 239.363 0.714 10 0 BCAEHO C[NH+](C)C[C@H]1CCN([C@@H]2CCC[C@H]2O)C1 ZINC000659925444 411500817 /nfs/dbraw/zinc/50/08/17/411500817.db2.gz JHTINTNQHHNGQN-IJLUTSLNSA-N 1 3 212.337 0.783 10 0 BCAEHO CC[NH2+]C[C@@H](C)C(=O)N1CCC[C@@H]1CN(C)C ZINC000061645208 170118079 /nfs/dbraw/zinc/11/80/79/170118079.db2.gz YMDBNNBXAFEUFG-VXGBXAGGSA-N 1 3 241.379 0.785 10 0 BCAEHO CC[NH2+]C[C@@H](C)C(=O)N[C@H](C)CN1CCCC1 ZINC000061267722 170119442 /nfs/dbraw/zinc/11/94/42/170119442.db2.gz JOIJZXHCTBZHNW-VXGBXAGGSA-N 1 3 241.379 0.833 10 0 BCAEHO CC[NH2+]C[C@H](C)C(=O)N1CCCNCC1 ZINC000061229650 170121624 /nfs/dbraw/zinc/12/16/24/170121624.db2.gz LLAFTHLEOMOLBO-JTQLQIEISA-N 1 3 213.325 0.054 10 0 BCAEHO CC[NH2+]C[C@H](C)C(=O)N[C@@H]1CCCN(CC)C1 ZINC000061266911 170122038 /nfs/dbraw/zinc/12/20/38/170122038.db2.gz ZYBCBYQHTLIKHG-NWDGAFQWSA-N 1 3 241.379 0.833 10 0 BCAEHO CC[NH2+]C[C@H](C)C(=O)N1CCC[C@H]1CN(C)C ZINC000061645211 170122059 /nfs/dbraw/zinc/12/20/59/170122059.db2.gz YMDBNNBXAFEUFG-RYUDHWBXSA-N 1 3 241.379 0.785 10 0 BCAEHO CC[NH2+][C@H](C)C1CCN(CC(=O)N(C)C)CC1 ZINC000104420317 170156810 /nfs/dbraw/zinc/15/68/10/170156810.db2.gz LNXPQOGPSCIOND-LLVKDONJSA-N 1 3 241.379 0.785 10 0 BCAEHO CCOCC[N@H+](CC)CCC[C@@](C)(N)C(N)=O ZINC000104200599 170394787 /nfs/dbraw/zinc/39/47/87/170394787.db2.gz QHYBCENLBDWTIR-GFCCVEGCSA-N 1 3 245.367 0.328 10 0 BCAEHO CCOCC[N@@H+](CC)CCC[C@@](C)(N)C(N)=O ZINC000104200599 170394788 /nfs/dbraw/zinc/39/47/88/170394788.db2.gz QHYBCENLBDWTIR-GFCCVEGCSA-N 1 3 245.367 0.328 10 0 BCAEHO OCC1CC(N[C@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000657810513 411602633 /nfs/dbraw/zinc/60/26/33/411602633.db2.gz FDZIICJRLYUAJT-MVKMKZAISA-N 1 3 224.348 0.974 10 0 BCAEHO OCC1CC(N[C@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000657810513 411602635 /nfs/dbraw/zinc/60/26/35/411602635.db2.gz FDZIICJRLYUAJT-MVKMKZAISA-N 1 3 224.348 0.974 10 0 BCAEHO CC[C@@H]1CN([C@]2(CN)CC[N@H+](C)C2)CCO1 ZINC000061990262 171098208 /nfs/dbraw/zinc/09/82/08/171098208.db2.gz SMUBBANPDPIOSE-NEPJUHHUSA-N 1 3 227.352 0.130 10 0 BCAEHO CC[C@@H]1CN([C@]2(CN)CC[N@@H+](C)C2)CCO1 ZINC000061990262 171098209 /nfs/dbraw/zinc/09/82/09/171098209.db2.gz SMUBBANPDPIOSE-NEPJUHHUSA-N 1 3 227.352 0.130 10 0 BCAEHO CC[C@H](C)[C@@H](CN)[N@@H+]1CCCN(C)CC1 ZINC000037228108 171368545 /nfs/dbraw/zinc/36/85/45/171368545.db2.gz LJZKWSCHOXQVDK-NWDGAFQWSA-N 1 3 213.369 0.997 10 0 BCAEHO CC[C@H](C)[C@@H](CN)[N@H+]1CCCN(C)CC1 ZINC000037228108 171368547 /nfs/dbraw/zinc/36/85/47/171368547.db2.gz LJZKWSCHOXQVDK-NWDGAFQWSA-N 1 3 213.369 0.997 10 0 BCAEHO CC[C@H](C)[C@@H](N)C(=O)NCC[NH2+]C(C)(C)C ZINC000237068180 171370572 /nfs/dbraw/zinc/37/05/72/171370572.db2.gz KFWNEKDHTQIJCW-VHSXEESVSA-N 1 3 229.368 0.864 10 0 BCAEHO C[C@H](NCCO[C@@H]1CC1(F)F)[C@H]1CC[NH2+]C1 ZINC000665244430 412189605 /nfs/dbraw/zinc/18/96/05/412189605.db2.gz MWEUFPWYEANXDM-LPEHRKFASA-N 1 3 234.290 0.998 10 0 BCAEHO C[C@H](NCCO[C@H]1CC1(F)F)[C@@H]1CC[NH2+]C1 ZINC000665244427 412189927 /nfs/dbraw/zinc/18/99/27/412189927.db2.gz MWEUFPWYEANXDM-AEJSXWLSSA-N 1 3 234.290 0.998 10 0 BCAEHO CC[C@H]([NH2+]C)C(=O)N(C)C[C@H]1CCCN1CC ZINC000662486344 412191634 /nfs/dbraw/zinc/19/16/34/412191634.db2.gz AMSUUHUGLQHQMG-NEPJUHHUSA-N 1 3 241.379 0.927 10 0 BCAEHO CC[C@H]([NH2+]C)C(=O)N1CC[C@@H](N(C)C)C1 ZINC000662443178 412161133 /nfs/dbraw/zinc/16/11/33/412161133.db2.gz DRZGCUKSIIUQOX-ZJUUUORDSA-N 1 3 213.325 0.147 10 0 BCAEHO COC[C@@H](CC[NH2+][C@H]1CCCNCC1)OC ZINC000665235218 412174853 /nfs/dbraw/zinc/17/48/53/412174853.db2.gz SCZAZTCHUSWTHB-NWDGAFQWSA-N 1 3 230.352 0.770 10 0 BCAEHO CC(C)(C)N1CC[C@@H](NC(=O)[C@@H]2CC[NH2+]C2)C1 ZINC000662621813 412244631 /nfs/dbraw/zinc/24/46/31/412244631.db2.gz LTTBJYAODDUCIR-GHMZBOCLSA-N 1 3 239.363 0.585 10 0 BCAEHO C[C@H](NCCOCCF)[C@@H]1CCC[NH2+]C1 ZINC000665299548 412248199 /nfs/dbraw/zinc/24/81/99/412248199.db2.gz OVQPDAZXOYXEHX-WDEREUQCSA-N 1 3 218.316 0.950 10 0 BCAEHO C[C@H]([NH2+]CCOCCF)[C@@H]1CCCNC1 ZINC000665299548 412248203 /nfs/dbraw/zinc/24/82/03/412248203.db2.gz OVQPDAZXOYXEHX-WDEREUQCSA-N 1 3 218.316 0.950 10 0 BCAEHO CN(C)C(=O)CCN1CC[C@H]([NH3+])C(C)(C)C1 ZINC000304262829 172358888 /nfs/dbraw/zinc/35/88/88/172358888.db2.gz JKNUUCJMJXXTEE-JTQLQIEISA-N 1 3 227.352 0.524 10 0 BCAEHO C[NH+](C)C(C)(C)CNC(=O)[C@H]1CCCCN1 ZINC000040807123 172395437 /nfs/dbraw/zinc/39/54/37/172395437.db2.gz UICYULIAYSCLPK-SNVBAGLBSA-N 1 3 227.352 0.585 10 0 BCAEHO CN1CCCN(c2ncc(C[NH3+])s2)CC1 ZINC000054863919 173018622 /nfs/dbraw/zinc/01/86/22/173018622.db2.gz WHQWSKIKCUDPSF-UHFFFAOYSA-N 1 3 226.349 0.744 10 0 BCAEHO CN1CCCN(c2cc[nH+]cc2N)CC1 ZINC000020370453 173019479 /nfs/dbraw/zinc/01/94/79/173019479.db2.gz AYJOIUMYHAKLQZ-UHFFFAOYSA-N 1 3 206.293 0.806 10 0 BCAEHO CN(CC(C)(C)C[NH3+])[C@H]1CCCN(C)C1 ZINC000053248816 173044081 /nfs/dbraw/zinc/04/40/81/173044081.db2.gz BCFVIQBRCOPHKJ-NSHDSACASA-N 1 3 213.369 0.997 10 0 BCAEHO CN1CCC[C@H]1CNC(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000227432805 173057479 /nfs/dbraw/zinc/05/74/79/173057479.db2.gz XTIRGYJAMOJPTL-GRYCIOLGSA-N 1 3 239.363 0.572 10 0 BCAEHO CN1CCN(CCC[C@@H]2CCC[NH2+]2)CC1 ZINC000052764268 173078780 /nfs/dbraw/zinc/07/87/80/173078780.db2.gz GNOJHODCYXSCGW-LBPRGKRZSA-N 1 3 211.353 0.766 10 0 BCAEHO C[N@@H+]1CC[C@@H](CNC(=O)[C@H](N)C(C)(C)C)C1 ZINC000077558849 173114502 /nfs/dbraw/zinc/11/45/02/173114502.db2.gz PBBMBDVLQNOLNX-UWVGGRQHSA-N 1 3 227.352 0.428 10 0 BCAEHO C[N@H+]1CC[C@@H](CNC(=O)[C@H](N)C(C)(C)C)C1 ZINC000077558849 173114503 /nfs/dbraw/zinc/11/45/03/173114503.db2.gz PBBMBDVLQNOLNX-UWVGGRQHSA-N 1 3 227.352 0.428 10 0 BCAEHO C[N@@H+]1CC[C@@H](CNC(=O)[C@@](C)(N)C2CC2)C1 ZINC000037484871 173114831 /nfs/dbraw/zinc/11/48/31/173114831.db2.gz HLVMPVDXMPIUSP-CABZTGNLSA-N 1 3 225.336 0.182 10 0 BCAEHO C[N@H+]1CC[C@@H](CNC(=O)[C@@](C)(N)C2CC2)C1 ZINC000037484871 173114834 /nfs/dbraw/zinc/11/48/34/173114834.db2.gz HLVMPVDXMPIUSP-CABZTGNLSA-N 1 3 225.336 0.182 10 0 BCAEHO CN1CC[C@@H](NC(=O)Nc2cccc(C[NH3+])c2)C1 ZINC000042549638 173121156 /nfs/dbraw/zinc/12/11/56/173121156.db2.gz ZJYJNNPHTVLMGT-GFCCVEGCSA-N 1 3 248.330 0.971 10 0 BCAEHO CNC(=O)CCN1[C@@H]2CC[C@H]1CC([NH3+])C2 ZINC000051761641 173255671 /nfs/dbraw/zinc/25/56/71/173255671.db2.gz KEHBKSZOAHGPBI-PBINXNQUSA-N 1 3 211.309 0.077 10 0 BCAEHO CNC(=O)CC[N@H+]1[C@@H]2CC[C@H]1CC(N)C2 ZINC000051761641 173255672 /nfs/dbraw/zinc/25/56/72/173255672.db2.gz KEHBKSZOAHGPBI-PBINXNQUSA-N 1 3 211.309 0.077 10 0 BCAEHO CNC(=O)CC[N@@H+]1[C@@H]2CC[C@H]1CC(N)C2 ZINC000051761641 173255673 /nfs/dbraw/zinc/25/56/73/173255673.db2.gz KEHBKSZOAHGPBI-PBINXNQUSA-N 1 3 211.309 0.077 10 0 BCAEHO CNC(=O)CCN1[C@@H]2CC[C@H]1CC([NH2+]C)C2 ZINC000054629057 173255890 /nfs/dbraw/zinc/25/58/90/173255890.db2.gz UZYSFFUZQPANBM-FGWVZKOKSA-N 1 3 225.336 0.337 10 0 BCAEHO CNC(=O)CC[N@H+]1[C@@H]2CC[C@H]1CC(NC)C2 ZINC000054629057 173255893 /nfs/dbraw/zinc/25/58/93/173255893.db2.gz UZYSFFUZQPANBM-FGWVZKOKSA-N 1 3 225.336 0.337 10 0 BCAEHO CNC(=O)CC[N@@H+]1[C@@H]2CC[C@H]1CC(NC)C2 ZINC000054629057 173255894 /nfs/dbraw/zinc/25/58/94/173255894.db2.gz UZYSFFUZQPANBM-FGWVZKOKSA-N 1 3 225.336 0.337 10 0 BCAEHO C[NH2+]CC(=O)N[C@@H](CC(C)C)CN(C)C ZINC000037001321 173331928 /nfs/dbraw/zinc/33/19/28/173331928.db2.gz SYDOWVNBRLLHCE-JTQLQIEISA-N 1 3 215.341 0.298 10 0 BCAEHO C[NH2+]C[C@@H](O)CN1C[C@H](C)C[C@@H](C)C1 ZINC000019864007 173365010 /nfs/dbraw/zinc/36/50/10/173365010.db2.gz BWMLPYLXZUKYTN-GMTAPVOTSA-N 1 3 200.326 0.545 10 0 BCAEHO C[NH2+]C[C@@H]1CC[C@H](CN2CCC(OC)CC2)O1 ZINC000052455397 173371692 /nfs/dbraw/zinc/37/16/92/173371692.db2.gz RDEYDFCDZKATEG-QWHCGFSZSA-N 1 3 242.363 0.864 10 0 BCAEHO C[NH2+]C[C@]1(CN2CCCN(C)CC2)CCOC1 ZINC000051213792 173384169 /nfs/dbraw/zinc/38/41/69/173384169.db2.gz ILONFZLEIOZOFF-ZDUSSCGKSA-N 1 3 241.379 0.250 10 0 BCAEHO CNCc1ccc(N2CC[C@@H]([NH+](C)C)C2)nn1 ZINC000062971238 173389116 /nfs/dbraw/zinc/38/91/16/173389116.db2.gz PFOKMBNMXVBERT-LLVKDONJSA-N 1 3 235.335 0.336 10 0 BCAEHO COC1CC(NC[C@@H](O)C[NH+]2CCCCC2)C1 ZINC000310231301 174016925 /nfs/dbraw/zinc/01/69/25/174016925.db2.gz HOKKFRVKVDBDIS-OTTFEQOBSA-N 1 3 242.363 0.600 10 0 BCAEHO COCCN(C)CC[NH2+]C[C@H]1CCCN(C)C1 ZINC000061377624 174277579 /nfs/dbraw/zinc/27/75/79/174277579.db2.gz QCJPTRPEKRRPGH-CYBMUJFWSA-N 1 3 243.395 0.496 10 0 BCAEHO COCCN(C)CCNC[C@H]1CCC[N@H+](C)C1 ZINC000061377624 174277581 /nfs/dbraw/zinc/27/75/81/174277581.db2.gz QCJPTRPEKRRPGH-CYBMUJFWSA-N 1 3 243.395 0.496 10 0 BCAEHO COCCN(C)CCNC[C@H]1CCC[N@@H+](C)C1 ZINC000061377624 174277583 /nfs/dbraw/zinc/27/75/83/174277583.db2.gz QCJPTRPEKRRPGH-CYBMUJFWSA-N 1 3 243.395 0.496 10 0 BCAEHO COCCN1C[C@@H](C)C[NH2+]C[C@H](C)C1 ZINC000049665423 174317389 /nfs/dbraw/zinc/31/73/89/174317389.db2.gz ZKXFJKCYUKCGFA-QWRGUYRKSA-N 1 3 200.326 0.810 10 0 BCAEHO COCC[C@H]([NH3+])CN1CCN(CC(C)C)CC1 ZINC000055083746 174415933 /nfs/dbraw/zinc/41/59/33/174415933.db2.gz SQNNYOLSLYZCFR-ZDUSSCGKSA-N 1 3 243.395 0.624 10 0 BCAEHO C[C@@H]1CC[C@@H](C[NH3+])CN1CCN1CCOCC1 ZINC000042427416 176202961 /nfs/dbraw/zinc/20/29/61/176202961.db2.gz DMGYJROMOLJUHY-OLZOCXBDSA-N 1 3 241.379 0.378 10 0 BCAEHO C[C@@H]1C[N@@H+](C2CCN(C)CC2)C[C@@]1(C)CN ZINC000335348353 176283782 /nfs/dbraw/zinc/28/37/82/176283782.db2.gz HBYHCGXKIYQOEO-DGCLKSJQSA-N 1 3 225.380 0.997 10 0 BCAEHO C[C@@H]1C[N@H+](C2CCN(C)CC2)C[C@@]1(C)CN ZINC000335348353 176283784 /nfs/dbraw/zinc/28/37/84/176283784.db2.gz HBYHCGXKIYQOEO-DGCLKSJQSA-N 1 3 225.380 0.997 10 0 BCAEHO C[C@@H]1CN(C[C@@H]2CCC[NH2+]C2)CC[C@@H]1O ZINC000127620976 176297885 /nfs/dbraw/zinc/29/78/85/176297885.db2.gz QFPXZSZWQIAVIC-UTUOFQBUSA-N 1 3 212.337 0.689 10 0 BCAEHO C[C@@H]1C[N@H+](C[C@@H]2CCCNC2)CC[C@@H]1O ZINC000127620976 176297886 /nfs/dbraw/zinc/29/78/86/176297886.db2.gz QFPXZSZWQIAVIC-UTUOFQBUSA-N 1 3 212.337 0.689 10 0 BCAEHO C[C@@H]1C[N@@H+](C[C@@H]2CCCNC2)CC[C@@H]1O ZINC000127620976 176297887 /nfs/dbraw/zinc/29/78/87/176297887.db2.gz QFPXZSZWQIAVIC-UTUOFQBUSA-N 1 3 212.337 0.689 10 0 BCAEHO C[C@@H]1C[C@@H](C)CN(CC(=O)NCC[NH3+])C1 ZINC000040605532 176361054 /nfs/dbraw/zinc/36/10/54/176361054.db2.gz RMQPJTYTTXAAJE-NXEZZACHSA-N 1 3 213.325 0.039 10 0 BCAEHO C[C@H](Cn1cccn1)NC1CC[NH2+]CC1 ZINC000038041413 176730271 /nfs/dbraw/zinc/73/02/71/176730271.db2.gz QMEUJYQGCYFNHE-SNVBAGLBSA-N 1 3 208.309 0.613 10 0 BCAEHO C[C@H](Cn1cccn1)[NH2+]C1CCNCC1 ZINC000038041413 176730272 /nfs/dbraw/zinc/73/02/72/176730272.db2.gz QMEUJYQGCYFNHE-SNVBAGLBSA-N 1 3 208.309 0.613 10 0 BCAEHO C[C@H](N)C(=O)N1CC[C@@]2(CC[C@@H]([NH3+])C2)C1 ZINC000100248077 176748403 /nfs/dbraw/zinc/74/84/03/176748403.db2.gz LJZPIHKVFRNITN-IQJOONFLSA-N 1 3 211.309 0.064 10 0 BCAEHO C[C@H]([NH2+][C@@H](C)C1CCN(C)CC1)C(N)=O ZINC000035792343 176887725 /nfs/dbraw/zinc/88/77/25/176887725.db2.gz FUIUOAMAKSJXSH-IUCAKERBSA-N 1 3 213.325 0.180 10 0 BCAEHO C[C@H]1CC[C@H](C(=O)NC2CCN(C)CC2)C[NH2+]1 ZINC000037267785 177197419 /nfs/dbraw/zinc/19/74/19/177197419.db2.gz ABQKCZPRXSAYDN-QWRGUYRKSA-N 1 3 239.363 0.585 10 0 BCAEHO C[C@H]1CN(CCN2CC[NH2+]CC2)CCS1 ZINC000123409980 177251937 /nfs/dbraw/zinc/25/19/37/177251937.db2.gz VXFKWTGEVLNBPE-NSHDSACASA-N 1 3 229.393 0.329 10 0 BCAEHO CC[C@H](N)C(=O)NC[C@@H](C)[NH+](CC)CC ZINC000236902752 487637356 /nfs/dbraw/zinc/63/73/56/487637356.db2.gz KFDLTVASYZJUJY-ZJUUUORDSA-N 1 3 215.341 0.570 10 0 BCAEHO C[C@H]1[NH2+]CCC[C@@H]1NC(=O)C1(N)CCCC1 ZINC000193545324 177395414 /nfs/dbraw/zinc/39/54/14/177395414.db2.gz IYDYZEUAQMOMFT-ZJUUUORDSA-N 1 3 225.336 0.515 10 0 BCAEHO C[C@H](CO)CN1CC[C@H](C[NH+](C)C)C1 ZINC000120967815 490072440 /nfs/dbraw/zinc/07/24/40/490072440.db2.gz USNPBYCYCPTMMN-WDEREUQCSA-N 1 3 200.326 0.498 10 0 BCAEHO CC(C)[C@H]([NH3+])CC(=O)NCCN1CCCCC1 ZINC000136442239 487736220 /nfs/dbraw/zinc/73/62/20/487736220.db2.gz FUYDJAXYAHMEMG-GFCCVEGCSA-N 1 3 241.379 0.962 10 0 BCAEHO CC(C)[C@@H]([NH3+])CC(=O)N1CCC[C@H]1CN(C)C ZINC000136455591 487737146 /nfs/dbraw/zinc/73/71/46/487737146.db2.gz PEAMUBYBDRTYDH-RYUDHWBXSA-N 1 3 241.379 0.912 10 0 BCAEHO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C[C@H]1CNCCO1 ZINC000251749933 487795199 /nfs/dbraw/zinc/79/51/99/487795199.db2.gz LGXXTTWEYHERAT-FRRDWIJNSA-N 1 3 239.363 0.143 10 0 BCAEHO C[C@@H]1C[N@H+]2CCC[C@H]2CN1C[C@H]1CNCCO1 ZINC000251749933 487795206 /nfs/dbraw/zinc/79/52/06/487795206.db2.gz LGXXTTWEYHERAT-FRRDWIJNSA-N 1 3 239.363 0.143 10 0 BCAEHO CN1CCC(NC(=O)[C@H]2CCC[C@H]2C[NH3+])CC1 ZINC000089450505 487817833 /nfs/dbraw/zinc/81/78/33/487817833.db2.gz MBYNDTPNGNIJPP-JQWIXIFHSA-N 1 3 239.363 0.572 10 0 BCAEHO CN1CCC(NC(=O)[C@@H]2CCC[C@H]2C[NH3+])CC1 ZINC000089450503 487817637 /nfs/dbraw/zinc/81/76/37/487817637.db2.gz MBYNDTPNGNIJPP-CMPLNLGQSA-N 1 3 239.363 0.572 10 0 BCAEHO C([C@H]1CC[NH2+]C1)N1CCN2CCCC[C@@H]2C1 ZINC000227374844 487826404 /nfs/dbraw/zinc/82/64/04/487826404.db2.gz KMLKOMKZALRYPL-QWHCGFSZSA-N 1 3 223.364 0.766 10 0 BCAEHO CC(C)[C@H](CO)CN[C@@H](C)[C@@H]1CC[NH2+]C1 ZINC000400484475 529023286 /nfs/dbraw/zinc/02/32/86/529023286.db2.gz WYQCMULNUOIFNU-TUAOUCFPSA-N 1 3 214.353 0.839 10 0 BCAEHO CC(C)[C@H]([NH3+])CC(=O)NC[C@@H](C)N(C)C ZINC000128969855 487874665 /nfs/dbraw/zinc/87/46/65/487874665.db2.gz XRJBAWGMOBNYLV-NXEZZACHSA-N 1 3 215.341 0.426 10 0 BCAEHO COC[C@H](C)N[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000666774628 487878177 /nfs/dbraw/zinc/87/81/77/487878177.db2.gz GAROMHGWOSFTSE-HBNTYKKESA-N 1 3 200.326 0.999 10 0 BCAEHO COC[C@H](C)[NH2+][C@H](C)[C@@H]1CCCNC1 ZINC000666774628 487878181 /nfs/dbraw/zinc/87/81/81/487878181.db2.gz GAROMHGWOSFTSE-HBNTYKKESA-N 1 3 200.326 0.999 10 0 BCAEHO C[C@@H](CNC(=O)[C@H]1CCC[NH2+]C1)N1CCCC1 ZINC000161028958 323143308 /nfs/dbraw/zinc/14/33/08/323143308.db2.gz XEUJJHUGVQHZPJ-RYUDHWBXSA-N 1 3 239.363 0.587 10 0 BCAEHO CN(C)C[C@H]1CCCCN1C(=O)[C@H]1CC[NH2+]C1 ZINC000404938143 326102344 /nfs/dbraw/zinc/10/23/44/326102344.db2.gz DBZFSGUVQIQLDQ-NWDGAFQWSA-N 1 3 239.363 0.539 10 0 BCAEHO CCC[C@H](N)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000236870713 488095078 /nfs/dbraw/zinc/09/50/78/488095078.db2.gz DJHJRIOEGFIRBC-UWVGGRQHSA-N 1 3 213.325 0.372 10 0 BCAEHO CCCN1CC[C@H](NC(=O)[C@@H]2CC[C@@H]([NH3+])C2)C1 ZINC000389636188 488103687 /nfs/dbraw/zinc/10/36/87/488103687.db2.gz JJHPOVSQZTYNRM-UTUOFQBUSA-N 1 3 239.363 0.714 10 0 BCAEHO COC[C@H](C)NCCC[NH2+][C@@H](C)COC ZINC000389885031 488122010 /nfs/dbraw/zinc/12/20/10/488122010.db2.gz QWNQEDDOBZUUNN-QWRGUYRKSA-N 1 3 218.341 0.626 10 0 BCAEHO CN(C)C1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000037503426 487476708 /nfs/dbraw/zinc/47/67/08/487476708.db2.gz FDKBWUPKABCTCZ-VXGBXAGGSA-N 1 3 212.337 0.926 10 0 BCAEHO C[N@H+](C[C@H](O)CNC[C@H](O)C(C)(C)C)C1CC1 ZINC000324238152 487562235 /nfs/dbraw/zinc/56/22/35/487562235.db2.gz AKLREDSGRMPJAL-NEPJUHHUSA-N 1 3 244.379 0.438 10 0 BCAEHO C[N@@H+](C[C@H](O)CNC[C@H](O)C(C)(C)C)C1CC1 ZINC000324238152 487562240 /nfs/dbraw/zinc/56/22/40/487562240.db2.gz AKLREDSGRMPJAL-NEPJUHHUSA-N 1 3 244.379 0.438 10 0 BCAEHO CN[C@H](C)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000251052408 487747871 /nfs/dbraw/zinc/74/78/71/487747871.db2.gz SODDOZGTULRSPL-MXWKQRLJSA-N 1 3 225.336 0.337 10 0 BCAEHO CN[C@H](C)C(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000251052408 487747875 /nfs/dbraw/zinc/74/78/75/487747875.db2.gz SODDOZGTULRSPL-MXWKQRLJSA-N 1 3 225.336 0.337 10 0 BCAEHO CCn1cc(CNC2CCC([NH3+])CC2)nn1 ZINC000404416667 488157773 /nfs/dbraw/zinc/15/77/73/488157773.db2.gz FAWLZSHNDYRTHI-UHFFFAOYSA-N 1 3 223.324 0.658 10 0 BCAEHO C[C@H](CO)CN1CC[C@@H](C[NH+](C)C)C1 ZINC000678046245 488184040 /nfs/dbraw/zinc/18/40/40/488184040.db2.gz USNPBYCYCPTMMN-QWRGUYRKSA-N 1 3 200.326 0.498 10 0 BCAEHO C[C@H](NCCN1CC=CCC1)[C@H]1CC[NH2+]C1 ZINC000400464283 533857213 /nfs/dbraw/zinc/85/72/13/533857213.db2.gz SLRYDIYLQXXCGW-STQMWFEESA-N 1 3 223.364 0.836 10 0 BCAEHO C[C@H](NC[C@H](O)C(C)(C)C)[C@@H]1CC[NH2+]C1 ZINC000400754087 533896890 /nfs/dbraw/zinc/89/68/90/533896890.db2.gz WKUBIDVZUUTCMQ-AXFHLTTASA-N 1 3 214.353 0.981 10 0 BCAEHO CC[C@H](CN[C@H](C)[C@H]1CC[NH2+]C1)OC ZINC000400555271 529370936 /nfs/dbraw/zinc/37/09/36/529370936.db2.gz ZASVNQOHFWTJIG-OUAUKWLOSA-N 1 3 200.326 0.999 10 0 BCAEHO CC(C)[C@H](N)C(=O)N[C@@H]1CCC[C@@H]1C[NH3+] ZINC000261557900 535058564 /nfs/dbraw/zinc/05/85/64/535058564.db2.gz XVFDTONOFSCQTO-BBBLOLIVSA-N 1 3 213.325 0.213 10 0 BCAEHO CCC[C@H](N)C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000084420113 535676902 /nfs/dbraw/zinc/67/69/02/535676902.db2.gz OLXSDACPDGPYHC-MNOVXSKESA-N 1 3 227.352 0.666 10 0 BCAEHO CCC[C@H](N)C(=O)N1CCCC[C@@H]1[C@H](C)[NH3+] ZINC000262469460 535676981 /nfs/dbraw/zinc/67/69/81/535676981.db2.gz ZLONKSFBACPIAV-GARJFASQSA-N 1 3 227.352 0.842 10 0 BCAEHO CC[C@@H](O)CN(C)C[C@H]1CC[N@H+](C)C1 ZINC000251050573 535812240 /nfs/dbraw/zinc/81/22/40/535812240.db2.gz GAHNXBKLQJUTEV-WDEREUQCSA-N 1 3 200.326 0.641 10 0 BCAEHO CC[C@@H](O)CN(C)C[C@H]1CC[N@@H+](C)C1 ZINC000251050573 535812241 /nfs/dbraw/zinc/81/22/41/535812241.db2.gz GAHNXBKLQJUTEV-WDEREUQCSA-N 1 3 200.326 0.641 10 0 BCAEHO C[NH2+][C@H](C)CNC(=O)CN1[C@H](C)CC[C@H]1C ZINC000261702581 536391925 /nfs/dbraw/zinc/39/19/25/536391925.db2.gz JIEOKFSCOMJNCE-GMTAPVOTSA-N 1 3 227.352 0.583 10 0 BCAEHO Cc1ccc(N)cc1[C@@H]1C[NH2+]CC[C@@H]1N ZINC000757236325 586443641 /nfs/dbraw/zinc/44/36/41/586443641.db2.gz OCSYHAZWUMODFY-RYUDHWBXSA-N 1 3 205.305 0.981 10 0 BCAEHO Cc1ccc(N)cc1[C@@H]1CNCC[C@@H]1[NH3+] ZINC000757236325 586443643 /nfs/dbraw/zinc/44/36/43/586443643.db2.gz OCSYHAZWUMODFY-RYUDHWBXSA-N 1 3 205.305 0.981 10 0 BCAEHO CCC[C@H](N)C(=O)N1CCC[C@H]([NH2+]C)C1 ZINC000131769608 591654624 /nfs/dbraw/zinc/65/46/24/591654624.db2.gz MFNZECKQLCVPED-UWVGGRQHSA-N 1 3 213.325 0.324 10 0 BCAEHO C[C@H](CCO)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000309490371 633929019 /nfs/dbraw/zinc/92/90/19/633929019.db2.gz YBJNVYWXZHOQGO-VXGBXAGGSA-N 1 3 230.352 0.194 10 0 BCAEHO C[NH2+][C@H](C)C(=O)NC[C@H](C)N1CCCCC1 ZINC000054075647 635344496 /nfs/dbraw/zinc/34/44/96/635344496.db2.gz WGCQLCGSEGYCPY-WDEREUQCSA-N 1 3 227.352 0.585 10 0 BCAEHO [NH3+][C@H]1CCC[C@H](C(=O)NCCN2CCCC2)C1 ZINC000055088156 640430495 /nfs/dbraw/zinc/43/04/95/640430495.db2.gz YFIMFRPNZOIRBN-RYUDHWBXSA-N 1 3 239.363 0.716 10 0 BCAEHO [NH3+][C@@H]1CCC[C@H](C(=O)NCCN2CCCC2)C1 ZINC000055088160 640430700 /nfs/dbraw/zinc/43/07/00/640430700.db2.gz YFIMFRPNZOIRBN-NWDGAFQWSA-N 1 3 239.363 0.716 10 0 BCAEHO CCN1CCC[C@@H]1CNC(=O)[C@H]1CCCC[NH2+]1 ZINC000157202801 640638455 /nfs/dbraw/zinc/63/84/55/640638455.db2.gz VDKMULDBZGUXMP-VXGBXAGGSA-N 1 3 239.363 0.729 10 0 BCAEHO CCN1CCC[C@H](NC(=O)[C@@H]([NH3+])CC2CC2)C1 ZINC000306111871 642721776 /nfs/dbraw/zinc/72/17/76/642721776.db2.gz WNKNCTZDNNXZCL-RYUDHWBXSA-N 1 3 239.363 0.714 10 0 BCAEHO [NH3+][C@@H]1CC[C@@H](C(=O)N[C@H]2CCN(C3CC3)C2)C1 ZINC000251278432 644800517 /nfs/dbraw/zinc/80/05/17/644800517.db2.gz MMLXWUOOOPBODM-MXWKQRLJSA-N 1 3 237.347 0.467 10 0 BCAEHO C[C@@H]1CN(c2ccnc(CO)c2)C[C@H]1[NH+](C)C ZINC000251630585 644815419 /nfs/dbraw/zinc/81/54/19/644815419.db2.gz FKAAGLFREJPDMB-ZWNOBZJWSA-N 1 3 235.331 0.960 10 0 BCAEHO CC[NH+](CC)[C@@H](C)CNC(=O)[C@H](C)N ZINC000237041891 711764562 /nfs/dbraw/zinc/76/45/62/711764562.db2.gz FNNRBJYUSDLYHA-IUCAKERBSA-N 1 3 201.314 0.180 10 0 BCAEHO C[C@@H]1C[N@H+](C[C@@H]2CCCOC2)C[C@@H]1CN ZINC000708877242 712201770 /nfs/dbraw/zinc/20/17/70/712201770.db2.gz LUCCYQFTMYCSNU-WOPDTQHZSA-N 1 3 212.337 0.940 10 0 BCAEHO C[C@@H]1C[N@@H+](C[C@@H]2CCCOC2)C[C@@H]1CN ZINC000708877242 712201773 /nfs/dbraw/zinc/20/17/73/712201773.db2.gz LUCCYQFTMYCSNU-WOPDTQHZSA-N 1 3 212.337 0.940 10 0 BCAEHO NCC(CN)[NH2+]C[C@@H]1CCCCC1(F)F ZINC000710081430 712245146 /nfs/dbraw/zinc/24/51/46/712245146.db2.gz WYUHJLJMGBUWLW-QMMMGPOBSA-N 1 3 221.295 0.688 10 0 BCAEHO CN1CCC[C@H]2[C@@H]1CCN2C(=O)C1CC([NH3+])C1 ZINC000720901469 712875611 /nfs/dbraw/zinc/87/56/11/712875611.db2.gz SALRTASNGGPNAT-QQFIATSDSA-N 1 3 237.347 0.419 10 0 BCAEHO CC(C)N(C)C[C@@H](O)C[NH2+][C@@H](C)[C@H]1CCCO1 ZINC000380153552 398187505 /nfs/dbraw/zinc/18/75/05/398187505.db2.gz SNDAEPRPPHNIBE-RWMBFGLXSA-N 1 3 244.379 0.845 10 0 BCAEHO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)[C@@H](N)C(C)C ZINC000092630191 398235931 /nfs/dbraw/zinc/23/59/31/398235931.db2.gz MPAIKBUXONYRDA-NEPJUHHUSA-N 1 3 241.379 0.912 10 0 BCAEHO CC[N@H+]1CCC[C@@H]1CN(C)C(=O)[C@@H](N)C(C)C ZINC000092630191 398235934 /nfs/dbraw/zinc/23/59/34/398235934.db2.gz MPAIKBUXONYRDA-NEPJUHHUSA-N 1 3 241.379 0.912 10 0 BCAEHO C[C@H](CNC[C@H]1C[NH2+]C[C@@H]1O)C(C)(C)C ZINC000381555026 398263329 /nfs/dbraw/zinc/26/33/29/398263329.db2.gz OKGZCEWXBRVKIZ-VWYCJHECSA-N 1 3 214.353 0.839 10 0 BCAEHO C[C@H](C[NH2+]C[C@H]1CNC[C@@H]1O)C(C)(C)C ZINC000381555026 398263330 /nfs/dbraw/zinc/26/33/30/398263330.db2.gz OKGZCEWXBRVKIZ-VWYCJHECSA-N 1 3 214.353 0.839 10 0 BCAEHO CC[C@H](COC)N[C@H](C)[C@@H]1CC[NH2+]C1 ZINC000400554751 529399572 /nfs/dbraw/zinc/39/95/72/529399572.db2.gz YWBXJRXLODUZGI-GMTAPVOTSA-N 1 3 200.326 0.999 10 0 BCAEHO C[C@@H](CO)CN1CC[C@@H](C[NH+](C)C)C1 ZINC000678046244 488183952 /nfs/dbraw/zinc/18/39/52/488183952.db2.gz USNPBYCYCPTMMN-MNOVXSKESA-N 1 3 200.326 0.498 10 0 BCAEHO CCC[C@H](N)C(=O)NCC[NH+](CC)CC ZINC000036872626 342912364 /nfs/dbraw/zinc/91/23/64/342912364.db2.gz PEGSMGIDPMCBAM-JTQLQIEISA-N 1 3 215.341 0.572 10 0 BCAEHO CCC[C@H](N)C(=O)NC[C@H]1CCC[N@@H+]1CC ZINC000036872930 342992533 /nfs/dbraw/zinc/99/25/33/342992533.db2.gz XNOLNNSSXDBVBD-MNOVXSKESA-N 1 3 227.352 0.714 10 0 BCAEHO CCC[C@H](N)C(=O)NC[C@H]1CCC[N@H+]1CC ZINC000036872930 342992534 /nfs/dbraw/zinc/99/25/34/342992534.db2.gz XNOLNNSSXDBVBD-MNOVXSKESA-N 1 3 227.352 0.714 10 0 BCAEHO CC[C@H](C)[C@H](N)C(=O)NCC[C@@H](C)[NH3+] ZINC000308976553 259340780 /nfs/dbraw/zinc/34/07/80/259340780.db2.gz GTUYSUUHKNRYKI-YIZRAAEISA-N 1 3 201.314 0.213 10 0 BCAEHO CC[C@H](C)[C@@H](N)C(=O)N1CCC([NH3+])CC1 ZINC000237039708 136272091 /nfs/dbraw/zinc/27/20/91/136272091.db2.gz LFAJIWLXTMWGCI-WCBMZHEXSA-N 1 3 213.325 0.310 10 0 BCAEHO CN[C@H](C)C(=O)NCC1([NH+](C)C)CCCC1 ZINC000132462566 343187900 /nfs/dbraw/zinc/18/79/00/343187900.db2.gz PZRQJXBKXIDRCX-SNVBAGLBSA-N 1 3 227.352 0.585 10 0 BCAEHO CCN(CCNC(=O)[C@@]1(C)CCC[NH2+]1)C1CC1 ZINC000121401680 343266494 /nfs/dbraw/zinc/26/64/94/343266494.db2.gz SHRPNHCQYZXVHO-CYBMUJFWSA-N 1 3 239.363 0.729 10 0 BCAEHO CC(C)COC[C@H](O)CNC[C@H]1CC[N@H+](C)C1 ZINC000037894172 187260969 /nfs/dbraw/zinc/26/09/69/187260969.db2.gz CQHPFKSZDOGOCE-CHWSQXEVSA-N 1 3 244.379 0.561 10 0 BCAEHO CC(C)COC[C@H](O)CNC[C@H]1CC[N@@H+](C)C1 ZINC000037894172 187260970 /nfs/dbraw/zinc/26/09/70/187260970.db2.gz CQHPFKSZDOGOCE-CHWSQXEVSA-N 1 3 244.379 0.561 10 0 BCAEHO CC(C)C[C@@H](N)C(=O)N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071189747 187275344 /nfs/dbraw/zinc/27/53/44/187275344.db2.gz BSOBGUQDMFYILH-VXGBXAGGSA-N 1 3 241.379 0.770 10 0 BCAEHO CC(C)C[C@@H](N)C(=O)N(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071189747 187275346 /nfs/dbraw/zinc/27/53/46/187275346.db2.gz BSOBGUQDMFYILH-VXGBXAGGSA-N 1 3 241.379 0.770 10 0 BCAEHO C1CCC([N@@H+]2CC[C@H](N3CCNCC3)C2)C1 ZINC000083255595 187284090 /nfs/dbraw/zinc/28/40/90/187284090.db2.gz XTZYZUOLJIZYLX-ZDUSSCGKSA-N 1 3 223.364 0.909 10 0 BCAEHO C1CCC([N@H+]2CC[C@H](N3CCNCC3)C2)C1 ZINC000083255595 187284091 /nfs/dbraw/zinc/28/40/91/187284091.db2.gz XTZYZUOLJIZYLX-ZDUSSCGKSA-N 1 3 223.364 0.909 10 0 BCAEHO CC(C)[C@H](N)C(=O)N1CCC2(CC(C[NH3+])C2)C1 ZINC000095087979 187287089 /nfs/dbraw/zinc/28/70/89/187287089.db2.gz WILXGZSMXMTFGN-AKJDGMEZSA-N 1 3 239.363 0.557 10 0 BCAEHO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)CNC1CC1 ZINC000092630262 344299988 /nfs/dbraw/zinc/29/99/88/344299988.db2.gz IPICXTRBNNUXBO-GFCCVEGCSA-N 1 3 239.363 0.681 10 0 BCAEHO CC[N@H+]1CCC[C@@H]1CN(C)C(=O)CNC1CC1 ZINC000092630262 344299989 /nfs/dbraw/zinc/29/99/89/344299989.db2.gz IPICXTRBNNUXBO-GFCCVEGCSA-N 1 3 239.363 0.681 10 0 BCAEHO CCC[C@H](N)C(=O)N1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000381315069 344494939 /nfs/dbraw/zinc/49/49/39/344494939.db2.gz MRYJRIUZKSAGLI-AEJSXWLSSA-N 1 3 213.325 0.310 10 0 BCAEHO CCC[C@H](N)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000037649667 344555163 /nfs/dbraw/zinc/55/51/63/344555163.db2.gz UQECCAKCLSUPFL-JQWIXIFHSA-N 1 3 239.363 0.714 10 0 BCAEHO CCC[C@H](N)C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000037649667 344555165 /nfs/dbraw/zinc/55/51/65/344555165.db2.gz UQECCAKCLSUPFL-JQWIXIFHSA-N 1 3 239.363 0.714 10 0 BCAEHO CC(C)N(CCCO)C[C@]1(C[NH3+])CCCOC1 ZINC000104315955 187292230 /nfs/dbraw/zinc/29/22/30/187292230.db2.gz BZNWEQGRUMVHEV-CYBMUJFWSA-N 1 3 244.379 0.835 10 0 BCAEHO CC(C)N1CC[C@@]2(C1)OC[C@@H](C[NH3+])O2 ZINC000226770756 344990974 /nfs/dbraw/zinc/99/09/74/344990974.db2.gz HBPBZNLTLXSLIJ-NXEZZACHSA-N 1 3 200.282 0.171 10 0 BCAEHO COC[C@H](C)C[N@@H+]1C[C@@H](C)[C@@H](CN)C1 ZINC000634998412 345198384 /nfs/dbraw/zinc/19/83/84/345198384.db2.gz FKUJQKFNCOZWIW-MXWKQRLJSA-N 1 3 200.326 0.796 10 0 BCAEHO COC[C@H](C)C[N@H+]1C[C@@H](C)[C@@H](CN)C1 ZINC000634998412 345198386 /nfs/dbraw/zinc/19/83/86/345198386.db2.gz FKUJQKFNCOZWIW-MXWKQRLJSA-N 1 3 200.326 0.796 10 0 BCAEHO CCN1CCC[C@H](NC(=O)[C@H](C)[C@@H](C)[NH3+])C1 ZINC000248489328 345403667 /nfs/dbraw/zinc/40/36/67/345403667.db2.gz MVTGNCMHQOYDFT-MXWKQRLJSA-N 1 3 227.352 0.570 10 0 BCAEHO CCC[N@H+](C)[C@@H]1CC2(CC[C@H]1N)OCCO2 ZINC000250004952 362718857 /nfs/dbraw/zinc/71/88/57/362718857.db2.gz IXOPDSPLHJIQOM-GHMZBOCLSA-N 1 3 228.336 0.951 10 0 BCAEHO CCC[N@@H+](C)[C@@H]1CC2(CC[C@H]1N)OCCO2 ZINC000250004952 362718862 /nfs/dbraw/zinc/71/88/62/362718862.db2.gz IXOPDSPLHJIQOM-GHMZBOCLSA-N 1 3 228.336 0.951 10 0 BCAEHO C[C@@H]1CCN(C[C@H]2CCC[NH2+]C2)C[C@@H]1CO ZINC000622005006 370656196 /nfs/dbraw/zinc/65/61/96/370656196.db2.gz XQSIIECZLQIWNZ-FRRDWIJNSA-N 1 3 226.364 0.936 10 0 BCAEHO C[C@@H]1CC[N@H+](C[C@H]2CCCNC2)C[C@@H]1CO ZINC000622005006 370656201 /nfs/dbraw/zinc/65/62/01/370656201.db2.gz XQSIIECZLQIWNZ-FRRDWIJNSA-N 1 3 226.364 0.936 10 0 BCAEHO C[C@@H]1CC[N@@H+](C[C@H]2CCCNC2)C[C@@H]1CO ZINC000622005006 370656205 /nfs/dbraw/zinc/65/62/05/370656205.db2.gz XQSIIECZLQIWNZ-FRRDWIJNSA-N 1 3 226.364 0.936 10 0 BCAEHO CN1CCC(C[NH3+])(C(=O)OC(C)(C)C)CC1 ZINC000725244928 538000689 /nfs/dbraw/zinc/00/06/89/538000689.db2.gz ODYIITADKPPBKH-UHFFFAOYSA-N 1 3 228.336 0.999 10 0 BCAEHO CC(C)[C@H](O)CN[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000563880545 323182751 /nfs/dbraw/zinc/18/27/51/323182751.db2.gz UREKNNLMBMMPIC-QJPTWQEYSA-N 1 3 214.353 0.981 10 0 BCAEHO CC(C)[C@H](O)C[NH2+][C@@H](C)[C@@H]1CCCNC1 ZINC000563880545 323182752 /nfs/dbraw/zinc/18/27/52/323182752.db2.gz UREKNNLMBMMPIC-QJPTWQEYSA-N 1 3 214.353 0.981 10 0 BCAEHO C[C@@H]1C[NH2+]C[C@@]12CN(CC1CC1)CC[C@@H]2O ZINC000725246211 538004838 /nfs/dbraw/zinc/00/48/38/538004838.db2.gz RKNNVQXQMNJFJY-KGYLQXTDSA-N 1 3 224.348 0.689 10 0 BCAEHO CCN1CCC(NC(=O)[C@@H](C)[NH2+]C)CC1 ZINC000054075697 348877830 /nfs/dbraw/zinc/87/78/30/348877830.db2.gz GFICQDRVHIDPGC-SECBINFHSA-N 1 3 213.325 0.195 10 0 BCAEHO C[NH2+][C@H](C)C(=O)N(CCN(C)C)CC(C)C ZINC000054075527 348878055 /nfs/dbraw/zinc/87/80/55/348878055.db2.gz QKUSVPAYMOYZEB-LLVKDONJSA-N 1 3 229.368 0.641 10 0 BCAEHO CCN1CCC[C@H](NC(=O)[C@H]2CC[NH2+][C@H]2C)C1 ZINC000252601561 349206654 /nfs/dbraw/zinc/20/66/54/349206654.db2.gz MLNYZCKXIBMOAV-SRVKXCTJSA-N 1 3 239.363 0.585 10 0 BCAEHO CCC[C@H](N)C(=O)NCCC[NH2+]CC ZINC000309025148 349317440 /nfs/dbraw/zinc/31/74/40/349317440.db2.gz ZLBMAFFWCUTXRI-VIFPVBQESA-N 1 3 201.314 0.230 10 0 BCAEHO CN(CCNC(=O)[C@H]1CCC[C@@H]([NH3+])C1)C1CC1 ZINC000218944516 350108305 /nfs/dbraw/zinc/10/83/05/350108305.db2.gz ARIPYODQBORHGL-WDEREUQCSA-N 1 3 239.363 0.714 10 0 BCAEHO CC(C)[C@H](N)C(=O)N1CC[C@]2(CC[C@@H]([NH3+])C2)C1 ZINC000100245815 191062791 /nfs/dbraw/zinc/06/27/91/191062791.db2.gz NBOXBFFCKZYLAM-MDZLAQPJSA-N 1 3 239.363 0.700 10 0 BCAEHO O=C(C[C@H]1CCC[NH2+]1)Nc1ccnn1C1CNC1 ZINC000725258776 538076826 /nfs/dbraw/zinc/07/68/26/538076826.db2.gz ZPJWIFBNKQTWAD-SECBINFHSA-N 1 3 249.318 0.108 10 0 BCAEHO CCN1CCC[C@@H](NC(=O)C[NH2+]C(C)C)C1 ZINC000040503656 490438591 /nfs/dbraw/zinc/43/85/91/490438591.db2.gz XUOKNSOQUZFNPN-LLVKDONJSA-N 1 3 227.352 0.585 10 0 BCAEHO CCC[C@H](N)C(=O)N1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000309506094 350679173 /nfs/dbraw/zinc/67/91/73/350679173.db2.gz VWVYYWGDYGWZAR-GUBZILKMSA-N 1 3 213.325 0.310 10 0 BCAEHO [NH3+]CC[C@@H]1CN(Cc2ccccc2)CCN1 ZINC000616631860 351109011 /nfs/dbraw/zinc/10/90/11/351109011.db2.gz HENWOGOXRUIEIU-CYBMUJFWSA-N 1 3 219.332 0.809 10 0 BCAEHO [NH3+]CCN1CCNC[C@@H]1c1ccccc1CO ZINC000616636877 351129888 /nfs/dbraw/zinc/12/98/88/351129888.db2.gz QLJRWXRTGJEXBN-CYBMUJFWSA-N 1 3 235.331 0.084 10 0 BCAEHO CN(C)C[C@H]1CCCCN1C(=O)[C@@H]1CC[NH2+]C1 ZINC000404938155 351265164 /nfs/dbraw/zinc/26/51/64/351265164.db2.gz DBZFSGUVQIQLDQ-VXGBXAGGSA-N 1 3 239.363 0.539 10 0 BCAEHO C[C@H]1CCCN(CC(C)(C)O)[C@H]1C[NH3+] ZINC000252105708 363069052 /nfs/dbraw/zinc/06/90/52/363069052.db2.gz GZJCTSLYSHROOV-UWVGGRQHSA-N 1 3 200.326 0.817 10 0 BCAEHO CCN1CCC[C@H](NC(=O)C2=CC[C@@H]([NH3+])C2)C1 ZINC000638080812 351953868 /nfs/dbraw/zinc/95/38/68/351953868.db2.gz RBSQFSWVJFIMOA-NEPJUHHUSA-N 1 3 237.347 0.634 10 0 BCAEHO CC[NH2+][C@H](C)C(=O)N(C)C[C@H]1CCCN1CC ZINC000638109566 351986947 /nfs/dbraw/zinc/98/69/47/351986947.db2.gz UWXPRXIJIAPGFE-VXGBXAGGSA-N 1 3 241.379 0.927 10 0 BCAEHO CC[NH2+][C@H](C)C(=O)N1C[C@@H]2CCCN2C[C@@H]1C ZINC000638114960 351989914 /nfs/dbraw/zinc/98/99/14/351989914.db2.gz DDRQVJVRWGUTTP-TUAOUCFPSA-N 1 3 239.363 0.680 10 0 BCAEHO CCN[C@H](C)C(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000638114960 351989917 /nfs/dbraw/zinc/98/99/17/351989917.db2.gz DDRQVJVRWGUTTP-TUAOUCFPSA-N 1 3 239.363 0.680 10 0 BCAEHO CCN[C@H](C)C(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC000638114960 351989921 /nfs/dbraw/zinc/98/99/21/351989921.db2.gz DDRQVJVRWGUTTP-TUAOUCFPSA-N 1 3 239.363 0.680 10 0 BCAEHO CC[NH2+][C@H](C)C(=O)N1CC[C@H](N(C)C)C1 ZINC000638274665 352112262 /nfs/dbraw/zinc/11/22/62/352112262.db2.gz HWFRCYGOQKOTTR-ZJUUUORDSA-N 1 3 213.325 0.147 10 0 BCAEHO CCN1CCC[C@@H](NC(=O)C[C@@H]2CCC[NH2+]2)C1 ZINC000042171143 352615245 /nfs/dbraw/zinc/61/52/45/352615245.db2.gz LZVICXGZDIYOKQ-NWDGAFQWSA-N 1 3 239.363 0.729 10 0 BCAEHO Cn1cc([C@@H]2NCC23CC[NH2+]CC3)cn1 ZINC000536961000 323973849 /nfs/dbraw/zinc/97/38/49/323973849.db2.gz WQUCCRORMYJBRQ-JTQLQIEISA-N 1 3 206.293 0.434 10 0 BCAEHO CCN1CCC[C@@H]1CN(C)C(=O)[C@H](C)C[NH3+] ZINC000252573102 353300134 /nfs/dbraw/zinc/30/01/34/353300134.db2.gz DKAVEMUYUGDQDG-GHMZBOCLSA-N 1 3 227.352 0.524 10 0 BCAEHO CC(C)[C@H](CN(C)C)NC(=O)[C@H]1CCC[NH2+]C1 ZINC000049220524 188299122 /nfs/dbraw/zinc/29/91/22/188299122.db2.gz DQMCTHIMFFVWDC-RYUDHWBXSA-N 1 3 241.379 0.688 10 0 BCAEHO CC(C)N(CCCO)CC1(C[NH3+])CCOCC1 ZINC000052198101 188299669 /nfs/dbraw/zinc/29/96/69/188299669.db2.gz WWGJFLRDCMMALH-UHFFFAOYSA-N 1 3 244.379 0.835 10 0 BCAEHO CCN1CCC[C@H](NC(=O)[C@@H](C)[C@@H](C)[NH3+])C1 ZINC000165346529 353307189 /nfs/dbraw/zinc/30/71/89/353307189.db2.gz MVTGNCMHQOYDFT-AXFHLTTASA-N 1 3 227.352 0.570 10 0 BCAEHO CC(C)(C)N1CCN([C@@]2(C[NH3+])CCOC2)CC1 ZINC000104070804 188323898 /nfs/dbraw/zinc/32/38/98/188323898.db2.gz MDLBDSMSQZVJMG-CYBMUJFWSA-N 1 3 241.379 0.520 10 0 BCAEHO CNC(=O)[C@@]1(C)CC[N@H+](C[C@@H]2CCCNC2)C1 ZINC000230896539 353550569 /nfs/dbraw/zinc/55/05/69/353550569.db2.gz JSDYCLKLWISTJC-YPMHNXCESA-N 1 3 239.363 0.444 10 0 BCAEHO CNC(=O)[C@@]1(C)CC[N@@H+](C[C@@H]2CCCNC2)C1 ZINC000230896539 353550572 /nfs/dbraw/zinc/55/05/72/353550572.db2.gz JSDYCLKLWISTJC-YPMHNXCESA-N 1 3 239.363 0.444 10 0 BCAEHO CCN1CCC(N(C)C(=O)[C@@H]2CC[NH2+]C2)CC1 ZINC000062112947 353551083 /nfs/dbraw/zinc/55/10/83/353551083.db2.gz MFNOOZOHMYNFRV-LLVKDONJSA-N 1 3 239.363 0.539 10 0 BCAEHO NC(=O)CC1CC[NH+](C2CCNCC2)CC1 ZINC000043501190 181218711 /nfs/dbraw/zinc/21/87/11/181218711.db2.gz ACGQEIJNXGVQFP-UHFFFAOYSA-N 1 3 225.336 0.326 10 0 BCAEHO Cn1ccnc1CCC1=C[C@H]([NH3+])CNC1 ZINC000675077916 538513706 /nfs/dbraw/zinc/51/37/06/538513706.db2.gz JXTWLJCFWORRGU-JTQLQIEISA-N 1 3 206.293 0.210 10 0 BCAEHO CN(C1CC1)[C@H]1C[C@@H]([NH3+])C12CCOCC2 ZINC000675078942 538517456 /nfs/dbraw/zinc/51/74/56/538517456.db2.gz CJGLBNSZJQKDCB-MNOVXSKESA-N 1 3 210.321 0.977 10 0 BCAEHO C[N@H+](C1CC1)[C@H]1C[C@@H](N)C12CCOCC2 ZINC000675078942 538517459 /nfs/dbraw/zinc/51/74/59/538517459.db2.gz CJGLBNSZJQKDCB-MNOVXSKESA-N 1 3 210.321 0.977 10 0 BCAEHO C[N@@H+](C1CC1)[C@H]1C[C@@H](N)C12CCOCC2 ZINC000675078942 538517460 /nfs/dbraw/zinc/51/74/60/538517460.db2.gz CJGLBNSZJQKDCB-MNOVXSKESA-N 1 3 210.321 0.977 10 0 BCAEHO CN1CCC[C@H]1CNC(=O)C1CCC([NH3+])CC1 ZINC000224049091 357832856 /nfs/dbraw/zinc/83/28/56/357832856.db2.gz UYDDPGNVGBUFLM-MCIGGMRASA-N 1 3 239.363 0.714 10 0 BCAEHO CN(C)C(=O)CCN(C)[C@H]1CCC[NH2+]CC1 ZINC000226467196 358340099 /nfs/dbraw/zinc/34/00/99/358340099.db2.gz KYULZQXHWMAPKH-NSHDSACASA-N 1 3 227.352 0.539 10 0 BCAEHO CCN1CCC[C@H]1CN(C)C(=O)[C@@H](C)[NH2+]C ZINC000086188893 358442746 /nfs/dbraw/zinc/44/27/46/358442746.db2.gz YXKVOCIHHPFKTM-MNOVXSKESA-N 1 3 227.352 0.537 10 0 BCAEHO C[C@@H]1[NH2+]CC[C@H]1C(=O)N1CC[C@H](N(C)C)C1 ZINC000086271937 358579558 /nfs/dbraw/zinc/57/95/58/358579558.db2.gz RSPBLKXBAAZIAG-GARJFASQSA-N 1 3 225.336 0.147 10 0 BCAEHO C[C@H]1CN(CCC(C)(C)[NH3+])CC[C@@H]1O ZINC000306187756 359003406 /nfs/dbraw/zinc/00/34/06/359003406.db2.gz FFOQMGUMAJBGSQ-UWVGGRQHSA-N 1 3 200.326 0.817 10 0 BCAEHO C[C@@H]1CN(C[C@@](C)(O)C[NH3+])C[C@@H](C)S1 ZINC000306213435 359307103 /nfs/dbraw/zinc/30/71/03/359307103.db2.gz WWPXKMNWLRRXHJ-BBBLOLIVSA-N 1 3 218.366 0.522 10 0 BCAEHO C[C@@H]1C[NH+](C[C@@](C)(O)CN)C[C@@H](C)S1 ZINC000306213435 359307105 /nfs/dbraw/zinc/30/71/05/359307105.db2.gz WWPXKMNWLRRXHJ-BBBLOLIVSA-N 1 3 218.366 0.522 10 0 BCAEHO CCn1cc([C@@H]2NCC23CC[NH2+]CC3)cn1 ZINC000536960565 360014073 /nfs/dbraw/zinc/01/40/73/360014073.db2.gz RQLBCZIOYZDJTJ-NSHDSACASA-N 1 3 220.320 0.917 10 0 BCAEHO CC[C@](C)([C@H](C)[NH3+])N1C[C@@H](O)C[C@@H]1C ZINC000306514879 360338058 /nfs/dbraw/zinc/33/80/58/360338058.db2.gz BKYDNJJMIJQODY-XWLWVQCSSA-N 1 3 200.326 0.957 10 0 BCAEHO C[C@H]([NH3+])CN1C[C@H]2CCCCN2C[C@H]1C ZINC000163733425 361565601 /nfs/dbraw/zinc/56/56/01/361565601.db2.gz MHYGERVDOAWTJG-QJPTWQEYSA-N 1 3 211.353 0.892 10 0 BCAEHO [NH3+]C1CCC(C(=O)N2CCCNCC2)CC1 ZINC000037482152 181340483 /nfs/dbraw/zinc/34/04/83/181340483.db2.gz HKWZZOPLCOSDKF-UHFFFAOYSA-N 1 3 225.336 0.326 10 0 BCAEHO [NH3+]C1CCC(NCc2ccncn2)CC1 ZINC000054789915 181341835 /nfs/dbraw/zinc/34/18/35/181341835.db2.gz TTZKKBVYOLXATB-UHFFFAOYSA-N 1 3 206.293 0.836 10 0 BCAEHO CN[C@H](C)C(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000573815121 364924084 /nfs/dbraw/zinc/92/40/84/364924084.db2.gz LWMKHWKBFUZWGT-NXEZZACHSA-N 1 3 213.325 0.004 10 0 BCAEHO [NH3+]CCCCN1CCCN(C(=O)C2CC2)CC1 ZINC000037038538 181376419 /nfs/dbraw/zinc/37/64/19/181376419.db2.gz CBURWCHZFCUFLY-UHFFFAOYSA-N 1 3 239.363 0.670 10 0 BCAEHO [NH3+]CCN1CCN(CC2CCCC2)CC1 ZINC000042011114 181391707 /nfs/dbraw/zinc/39/17/07/181391707.db2.gz DAMHJXQTZKRCDS-UHFFFAOYSA-N 1 3 211.353 0.753 10 0 BCAEHO CCC[C@@H](N)C(=O)N[C@@H](C)CCCC[NH3+] ZINC000381457461 367409487 /nfs/dbraw/zinc/40/94/87/367409487.db2.gz JVENDNCTJQIIOU-VHSXEESVSA-N 1 3 215.341 0.748 10 0 BCAEHO COC[C@@](C)(O)CN[C@@H]1CCC[NH2+]CC1 ZINC000382560164 367539886 /nfs/dbraw/zinc/53/98/86/367539886.db2.gz LIADPVLHUMLAAL-MNOVXSKESA-N 1 3 216.325 0.116 10 0 BCAEHO C[C@H]1CN(CC(C)(C)C[NH3+])CC[C@H]1O ZINC000253208111 368616363 /nfs/dbraw/zinc/61/63/63/368616363.db2.gz YJOPRIAPXSQCIU-VHSXEESVSA-N 1 3 200.326 0.674 10 0 BCAEHO C[C@@H]1C[NH2+]C[C@H]1C(=O)N1CC[C@H](N(C)C)C1 ZINC000082560142 368693120 /nfs/dbraw/zinc/69/31/20/368693120.db2.gz OLZJVBMKSJCCQQ-OUAUKWLOSA-N 1 3 225.336 0.004 10 0 BCAEHO CN1CCC[C@H](CNC(=O)[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000091543816 369014169 /nfs/dbraw/zinc/01/41/69/369014169.db2.gz ANOQWTQHSQDAED-UTUOFQBUSA-N 1 3 239.363 0.572 10 0 BCAEHO C[C@@H]1CN(CCOC2CCOCC2)C[C@@H]1C[NH3+] ZINC000631837524 369097803 /nfs/dbraw/zinc/09/78/03/369097803.db2.gz TUPHMPOYOWPGRN-NEPJUHHUSA-N 1 3 242.363 0.709 10 0 BCAEHO C[NH2+][C@@]1(CC(N)=O)CCN2CCCC[C@H]21 ZINC000228275223 372010300 /nfs/dbraw/zinc/01/03/00/372010300.db2.gz YLXQMVJYASFSSG-GXSJLCMTSA-N 1 3 211.309 0.078 10 0 BCAEHO CC(C)OCCN1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000631844403 372643815 /nfs/dbraw/zinc/64/38/15/372643815.db2.gz XCUCKIVBIPXZDK-MNOVXSKESA-N 1 3 200.326 0.938 10 0 BCAEHO O=C(NCCN1CCCCC1)[C@H]1CCC[NH2+]C1 ZINC000049575455 182184151 /nfs/dbraw/zinc/18/41/51/182184151.db2.gz GVXOGHVZMABGKF-LBPRGKRZSA-N 1 3 239.363 0.588 10 0 BCAEHO OCC[NH2+]CCCN1CCCCCC1 ZINC000049478303 183078084 /nfs/dbraw/zinc/07/80/84/183078084.db2.gz BPCNMCVWWIPGQL-UHFFFAOYSA-N 1 3 200.326 0.834 10 0 BCAEHO O[C@@H](CNCC[C@@H]1CCCO1)C[NH+]1CCCC1 ZINC000038096754 183179648 /nfs/dbraw/zinc/17/96/48/183179648.db2.gz XBOIQOUNAGSEAQ-STQMWFEESA-N 1 3 242.363 0.602 10 0 BCAEHO CCC[N@@H+]1CCC[C@H]([C@@H](C)NCCC(N)=O)C1 ZINC000036746769 169198889 /nfs/dbraw/zinc/19/88/89/169198889.db2.gz PDLGEJRXZIBMRV-NEPJUHHUSA-N 1 3 241.379 0.962 10 0 BCAEHO CCC[N@H+]1CCC[C@H]([C@@H](C)NCCC(N)=O)C1 ZINC000036746769 169198891 /nfs/dbraw/zinc/19/88/91/169198891.db2.gz PDLGEJRXZIBMRV-NEPJUHHUSA-N 1 3 241.379 0.962 10 0 BCAEHO CCCN1CCC[C@H]([C@@H](C)[NH2+]CCC(N)=O)C1 ZINC000036746769 169198892 /nfs/dbraw/zinc/19/88/92/169198892.db2.gz PDLGEJRXZIBMRV-NEPJUHHUSA-N 1 3 241.379 0.962 10 0 BCAEHO CCCN1CCN([C@@H](C)C[NH2+]CCOC)CC1 ZINC000053487495 169202762 /nfs/dbraw/zinc/20/27/62/169202762.db2.gz VVRUJYHHXRXQMN-ZDUSSCGKSA-N 1 3 243.395 0.639 10 0 BCAEHO CCCN1CCN([C@H](C[NH3+])C(C)C)CC1 ZINC000022209737 169202901 /nfs/dbraw/zinc/20/29/01/169202901.db2.gz GAUQPUWTPSCXHE-GFCCVEGCSA-N 1 3 213.369 0.997 10 0 BCAEHO CCCN1CCN([C@@H]2CCC[NH2+]C2)CC1 ZINC000037246757 169203169 /nfs/dbraw/zinc/20/31/69/169203169.db2.gz MRUKXWNGLFJDGE-GFCCVEGCSA-N 1 3 211.353 0.766 10 0 BCAEHO CCCN1CCN([C@H](C[NH3+])[C@@H]2CCOC2)CC1 ZINC000022209512 169203374 /nfs/dbraw/zinc/20/33/74/169203374.db2.gz LNBZJGRJVQYTPR-CHWSQXEVSA-N 1 3 241.379 0.378 10 0 BCAEHO CCCN1CCN(CCCC(N)=[NH2+])CC1 ZINC000019436253 169203419 /nfs/dbraw/zinc/20/34/19/169203419.db2.gz ICNZKEBKUSXZMG-UHFFFAOYSA-N 1 3 212.341 0.730 10 0 BCAEHO CCC[C@@H](N)C(=O)N1CCC[C@@H]([NH2+]C)C1 ZINC000131770184 169387571 /nfs/dbraw/zinc/38/75/71/169387571.db2.gz MFNZECKQLCVPED-NXEZZACHSA-N 1 3 213.325 0.324 10 0 BCAEHO CCC[C@@H](N)C(=O)N1CCC[C@H]([NH2+]C)C1 ZINC000131769792 169387584 /nfs/dbraw/zinc/38/75/84/169387584.db2.gz MFNZECKQLCVPED-VHSXEESVSA-N 1 3 213.325 0.324 10 0 BCAEHO CCC[C@@H](N)C(=O)N1CCC[C@@H]1C[NH2+]C ZINC000236905814 169387956 /nfs/dbraw/zinc/38/79/56/169387956.db2.gz NVUOFVQLHYVSMT-NXEZZACHSA-N 1 3 213.325 0.324 10 0 BCAEHO CCC[C@@H](N)C(=O)N(C)CC[C@@H]([NH3+])C(C)C ZINC000236891861 169386803 /nfs/dbraw/zinc/38/68/03/169386803.db2.gz UIKSGWNYWKTSDY-GHMZBOCLSA-N 1 3 229.368 0.946 10 0 BCAEHO NC[C@@]1(O)CCC[N@H+](Cc2ccccc2)C1 ZINC000035278854 383848420 /nfs/dbraw/zinc/84/84/20/383848420.db2.gz WVQWWLBOCUVBAF-ZDUSSCGKSA-N 1 3 220.316 0.972 10 0 BCAEHO NC[C@@]1(O)CCC[N@@H+](Cc2ccccc2)C1 ZINC000035278854 383848434 /nfs/dbraw/zinc/84/84/34/383848434.db2.gz WVQWWLBOCUVBAF-ZDUSSCGKSA-N 1 3 220.316 0.972 10 0 BCAEHO COc1nccnc1CNC1CCC([NH3+])CC1 ZINC000095071600 384340369 /nfs/dbraw/zinc/34/03/69/384340369.db2.gz AJWMABQRVUGXOA-UHFFFAOYSA-N 1 3 236.319 0.845 10 0 BCAEHO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)N1CCCNCC1 ZINC000335593356 384362075 /nfs/dbraw/zinc/36/20/75/384362075.db2.gz DUDBGSOLAJLGBH-QWRGUYRKSA-N 1 3 225.336 0.196 10 0 BCAEHO COc1nccnc1CN[C@H]1CC[C@H]([NH3+])CC1 ZINC000100266566 384627211 /nfs/dbraw/zinc/62/72/11/384627211.db2.gz AJWMABQRVUGXOA-AOOOYVTPSA-N 1 3 236.319 0.845 10 0 BCAEHO C[C@@H](N)C(=O)N1CC[C@@]2(CC[C@@H](C[NH3+])C2)C1 ZINC000100248043 384627350 /nfs/dbraw/zinc/62/73/50/384627350.db2.gz MCYBNYMFFOUDAZ-CKYFFXLPSA-N 1 3 225.336 0.311 10 0 BCAEHO C[C@H](N)C(=O)N1CC[C@@]2(CC[C@@H](C[NH3+])C2)C1 ZINC000100248046 384627584 /nfs/dbraw/zinc/62/75/84/384627584.db2.gz MCYBNYMFFOUDAZ-HOSYDEDBSA-N 1 3 225.336 0.311 10 0 BCAEHO C[C@@H](N)C(=O)N1CC[C@@]2(CC[C@@H]([NH3+])C2)C1 ZINC000100248075 384629124 /nfs/dbraw/zinc/62/91/24/384629124.db2.gz LJZPIHKVFRNITN-FXPVBKGRSA-N 1 3 211.309 0.064 10 0 BCAEHO CC(C)C[C@@H](CN(C)C)N[C@@H]1CC[NH2+]C1 ZINC000086728032 384677646 /nfs/dbraw/zinc/67/76/46/384677646.db2.gz CJQUXWFRWYHSEM-NEPJUHHUSA-N 1 3 213.369 0.914 10 0 BCAEHO CC(C)C[C@@H](CN[C@H]1CC[NH2+]C1)N(C)C ZINC000086725768 384679695 /nfs/dbraw/zinc/67/96/95/384679695.db2.gz KLAWWFYAMSJFNR-RYUDHWBXSA-N 1 3 213.369 0.914 10 0 BCAEHO CN[C@H](C)C(=O)NCC(C)(C)C[NH+](C)C ZINC000054071537 384727601 /nfs/dbraw/zinc/72/76/01/384727601.db2.gz PESRFYSVNCNYRR-SECBINFHSA-N 1 3 215.341 0.298 10 0 BCAEHO CN1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]C2)C1 ZINC000162119191 384795967 /nfs/dbraw/zinc/79/59/67/384795967.db2.gz UXEMOPCRHTUVJA-NEPJUHHUSA-N 1 3 239.363 0.444 10 0 BCAEHO CCN(CCNC(=O)[C@@H]1CC[C@@H]([NH3+])C1)C1CC1 ZINC000226397447 385007075 /nfs/dbraw/zinc/00/70/75/385007075.db2.gz YQUGFYNPDLLFBD-GHMZBOCLSA-N 1 3 239.363 0.714 10 0 BCAEHO CC(C)C[C@H](CN[C@H]1CC[NH2+]C1)N(C)C ZINC000086725770 385045644 /nfs/dbraw/zinc/04/56/44/385045644.db2.gz KLAWWFYAMSJFNR-NWDGAFQWSA-N 1 3 213.369 0.914 10 0 BCAEHO CC1(C)[C@H](N)C[C@H]1[NH2+]CC1(O)CCOCC1 ZINC000405307102 385466857 /nfs/dbraw/zinc/46/68/57/385466857.db2.gz LIDVHXNNJOLMJW-NXEZZACHSA-N 1 3 228.336 0.243 10 0 BCAEHO C[C@H](NC[C@@H](O)C[N@H+](C)C1CC1)[C@H]1CCCO1 ZINC000336676999 385606305 /nfs/dbraw/zinc/60/63/05/385606305.db2.gz CIVDZQZSSWLOHO-CYZMBNFOSA-N 1 3 242.363 0.599 10 0 BCAEHO C[C@H](NC[C@@H](O)C[N@@H+](C)C1CC1)[C@H]1CCCO1 ZINC000336676999 385606306 /nfs/dbraw/zinc/60/63/06/385606306.db2.gz CIVDZQZSSWLOHO-CYZMBNFOSA-N 1 3 242.363 0.599 10 0 BCAEHO CCC[C@H](CC)NC[C@@H]1C[NH2+]C[C@H]1O ZINC000336650975 385615156 /nfs/dbraw/zinc/61/51/56/385615156.db2.gz RSTDMBXKIRQKLB-GARJFASQSA-N 1 3 200.326 0.735 10 0 BCAEHO CCC[C@H](CC)[NH2+]C[C@@H]1CNC[C@H]1O ZINC000336650975 385615160 /nfs/dbraw/zinc/61/51/60/385615160.db2.gz RSTDMBXKIRQKLB-GARJFASQSA-N 1 3 200.326 0.735 10 0 BCAEHO C[C@H](CCC1CC1)NC[C@@H]1C[NH2+]C[C@H]1O ZINC000309502504 385640571 /nfs/dbraw/zinc/64/05/71/385640571.db2.gz MBTFMFLUGDPIFO-ADEWGFFLSA-N 1 3 212.337 0.735 10 0 BCAEHO CN1CCC[C@H]([NH2+][C@@H]2CCCC[C@H]2N)C1 ZINC000259130851 385654377 /nfs/dbraw/zinc/65/43/77/385654377.db2.gz UEFMNCCKSHXUJS-QJPTWQEYSA-N 1 3 211.353 0.940 10 0 BCAEHO CN1CCC[C@H](N[C@@H]2CCCC[C@H]2[NH3+])C1 ZINC000259130851 385654382 /nfs/dbraw/zinc/65/43/82/385654382.db2.gz UEFMNCCKSHXUJS-QJPTWQEYSA-N 1 3 211.353 0.940 10 0 BCAEHO CN(C)CCNC(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000055086008 385705618 /nfs/dbraw/zinc/70/56/18/385705618.db2.gz KEISXPWVGJZPDE-VHSXEESVSA-N 1 3 213.325 0.182 10 0 BCAEHO CC[NH2+][C@H](C)C(=O)N1CCN2CCC[C@@H]2C1 ZINC000638107342 385834537 /nfs/dbraw/zinc/83/45/37/385834537.db2.gz HPFHFRYDPMPVNY-GHMZBOCLSA-N 1 3 225.336 0.291 10 0 BCAEHO CN(C)C[C@@H]1CCCN1C(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000091539736 386300601 /nfs/dbraw/zinc/30/06/01/386300601.db2.gz RVYHMNRSLRTUGI-WOPDTQHZSA-N 1 3 239.363 0.666 10 0 BCAEHO Cc1cn[nH]c1CN[C@@H]1CCC[C@@H]1C[NH3+] ZINC000414799105 386578351 /nfs/dbraw/zinc/57/83/51/386578351.db2.gz JNSQCBTXWTXYHF-NXEZZACHSA-N 1 3 208.309 0.935 10 0 BCAEHO CN(CCNC(=O)[C@H]1CCC[C@H]([NH3+])C1)C1CC1 ZINC000070578322 387070423 /nfs/dbraw/zinc/07/04/23/387070423.db2.gz ARIPYODQBORHGL-QWRGUYRKSA-N 1 3 239.363 0.714 10 0 BCAEHO CCC1(N2CCC(O)CC2)CC[NH2+]CC1 ZINC000536952701 387165909 /nfs/dbraw/zinc/16/59/09/387165909.db2.gz DFNPHJZTMGSROG-UHFFFAOYSA-N 1 3 212.337 0.975 10 0 BCAEHO CC[C@H](C)[C@H](C)NC[C@@H]1C[NH2+]C[C@@H]1O ZINC000423402222 387237529 /nfs/dbraw/zinc/23/75/29/387237529.db2.gz GUMRKRMAGYNKAQ-NAKRPEOUSA-N 1 3 200.326 0.591 10 0 BCAEHO CC[C@H](C)[C@H](C)[NH2+]C[C@@H]1CNC[C@@H]1O ZINC000423402222 387237532 /nfs/dbraw/zinc/23/75/32/387237532.db2.gz GUMRKRMAGYNKAQ-NAKRPEOUSA-N 1 3 200.326 0.591 10 0 BCAEHO C[C@H](CN[C@@H](C)[C@@H]1CCC[NH2+]C1)N(C)C ZINC000643454662 387386230 /nfs/dbraw/zinc/38/62/30/387386230.db2.gz LRHUIKTZOINDRN-GRYCIOLGSA-N 1 3 213.369 0.914 10 0 BCAEHO CC(C)[C@H](C(=O)N1CC[C@H](N(C)C)C1)[C@H](C)[NH3+] ZINC000399655497 387562337 /nfs/dbraw/zinc/56/23/37/387562337.db2.gz OGPPEWVJGKDXKY-SRVKXCTJSA-N 1 3 241.379 0.768 10 0 BCAEHO CN(C)[C@@H]1CCN(C(=O)[C@]2(C)CCCC[NH2+]2)C1 ZINC000133443983 387799794 /nfs/dbraw/zinc/79/97/94/387799794.db2.gz RDJSHVBUEXULPC-YPMHNXCESA-N 1 3 239.363 0.681 10 0 BCAEHO CN(C)C[C@@H]1CCCN1C(=O)[C@H]1CC[NH2+]C1 ZINC000062116980 387850634 /nfs/dbraw/zinc/85/06/34/387850634.db2.gz WMTZBYKIIAEXKB-QWRGUYRKSA-N 1 3 225.336 0.149 10 0 BCAEHO C[C@H](CNC(=O)[C@H]1CC[C@@H]([NH3+])C1)N(C)C1CC1 ZINC000226398616 387949856 /nfs/dbraw/zinc/94/98/56/387949856.db2.gz CMQQMNGNRBYMJH-OUAUKWLOSA-N 1 3 239.363 0.713 10 0 BCAEHO CC(C)(C[NH3+])C(=O)N1CCN2CCC[C@H]2C1 ZINC000086932100 388111559 /nfs/dbraw/zinc/11/15/59/388111559.db2.gz MXDIJEPSDPMADA-JTQLQIEISA-N 1 3 225.336 0.278 10 0 BCAEHO CC[C@H](C)[C@@H](N)C(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000646533854 388377255 /nfs/dbraw/zinc/37/72/55/388377255.db2.gz JBMLYKNNMDNHBZ-QJPTWQEYSA-N 1 3 241.379 0.770 10 0 BCAEHO COCCN(C)CCN[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000566091054 388984364 /nfs/dbraw/zinc/98/43/64/388984364.db2.gz YOSSZVPTVPRABU-QWHCGFSZSA-N 1 3 243.395 0.542 10 0 BCAEHO N=C1NCN(c2ccc(F)cc2)C(=[NH2+])N1 ZINC000013809243 132292924 /nfs/dbraw/zinc/29/29/24/132292924.db2.gz UZPCXRZSRCSFOL-UHFFFAOYSA-N 1 3 207.212 0.233 10 0 BCAEHO COc1cccc(N2C(=[NH2+])NC(=N)NC2(C)C)c1 ZINC000017039688 132323991 /nfs/dbraw/zinc/32/39/91/132323991.db2.gz IANXQZFGCPHWLQ-UHFFFAOYSA-N 1 3 247.302 0.881 10 0 BCAEHO Cc1ccccc1N1C(=N)NC(=[NH2+])N[C@H]1C ZINC000205991749 132333671 /nfs/dbraw/zinc/33/36/71/132333671.db2.gz DSCCKCHOFSKKJP-MRVPVSSYSA-N 1 3 217.276 0.790 10 0 BCAEHO Cc1ccccc1N1C(=[NH2+])NC(=N)N[C@H]1C ZINC000205991749 132333673 /nfs/dbraw/zinc/33/36/73/132333673.db2.gz DSCCKCHOFSKKJP-MRVPVSSYSA-N 1 3 217.276 0.790 10 0 BCAEHO CN(Cc1ccnn1C)CC1CC[NH2+]CC1 ZINC000086701666 135094127 /nfs/dbraw/zinc/09/41/27/135094127.db2.gz PDIYSFZBRUKCLL-UHFFFAOYSA-N 1 3 222.336 0.852 10 0 BCAEHO CC(C)(C)CCNC[C@H]1C[NH2+]C[C@@H]1O ZINC000261527862 135152702 /nfs/dbraw/zinc/15/27/02/135152702.db2.gz AKMXCUFRJCQQBO-UWVGGRQHSA-N 1 3 200.326 0.593 10 0 BCAEHO OC[C@H]1CCCN(C[C@@H]2CCC[NH2+]C2)C1 ZINC000087647767 135161362 /nfs/dbraw/zinc/16/13/62/135161362.db2.gz WIORRWOMXVUXHP-NEPJUHHUSA-N 1 3 212.337 0.690 10 0 BCAEHO OC[C@H]1CCC[N@H+](C[C@@H]2CCCNC2)C1 ZINC000087647767 135161363 /nfs/dbraw/zinc/16/13/63/135161363.db2.gz WIORRWOMXVUXHP-NEPJUHHUSA-N 1 3 212.337 0.690 10 0 BCAEHO OC[C@H]1CCC[N@@H+](C[C@@H]2CCCNC2)C1 ZINC000087647767 135161364 /nfs/dbraw/zinc/16/13/64/135161364.db2.gz WIORRWOMXVUXHP-NEPJUHHUSA-N 1 3 212.337 0.690 10 0 BCAEHO CC1(C)CCC[C@@H]1NC[C@@H]1C[NH2+]C[C@@H]1O ZINC000261552874 135191816 /nfs/dbraw/zinc/19/18/16/135191816.db2.gz RZGBGTPGCKRTPB-DCAQKATOSA-N 1 3 212.337 0.735 10 0 BCAEHO CC1(C)CCC[C@@H]1[NH2+]C[C@@H]1CNC[C@@H]1O ZINC000261552874 135191818 /nfs/dbraw/zinc/19/18/18/135191818.db2.gz RZGBGTPGCKRTPB-DCAQKATOSA-N 1 3 212.337 0.735 10 0 BCAEHO C[C@@H]1CCCC[C@@H]1[NH2+]C[C@H]1CNC[C@@H]1O ZINC000261557322 135197785 /nfs/dbraw/zinc/19/77/85/135197785.db2.gz XEZCZCDSEGZZFV-WYUUTHIRSA-N 1 3 212.337 0.735 10 0 BCAEHO C[C@@H]1[C@H](CO)CC[N@@H+]1C[C@@H]1CCCNC1 ZINC000261557542 135198129 /nfs/dbraw/zinc/19/81/29/135198129.db2.gz XJFXXGJMZSPKPE-UTUOFQBUSA-N 1 3 212.337 0.689 10 0 BCAEHO C[C@@H]1[C@H](CO)CC[N@H+]1C[C@@H]1CCCNC1 ZINC000261557542 135198130 /nfs/dbraw/zinc/19/81/30/135198130.db2.gz XJFXXGJMZSPKPE-UTUOFQBUSA-N 1 3 212.337 0.689 10 0 BCAEHO C[C@@H]1CCC[C@H](NC[C@@H]2C[NH2+]C[C@H]2O)C1 ZINC000261558616 135199353 /nfs/dbraw/zinc/19/93/53/135199353.db2.gz YNIAPKKHKHUJKX-NOOOWODRSA-N 1 3 212.337 0.735 10 0 BCAEHO C[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CNC[C@H]2O)C1 ZINC000261558616 135199354 /nfs/dbraw/zinc/19/93/54/135199354.db2.gz YNIAPKKHKHUJKX-NOOOWODRSA-N 1 3 212.337 0.735 10 0 BCAEHO Cc1cnn(CCN2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)c1 ZINC000261565839 135208136 /nfs/dbraw/zinc/20/81/36/135208136.db2.gz YORJQCWYAQUCTK-XQQFMLRXSA-N 1 3 234.347 0.861 10 0 BCAEHO CC(C)C[C@H](N)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000261580280 135220743 /nfs/dbraw/zinc/22/07/43/135220743.db2.gz MWLONJVTEHMLLS-UWVGGRQHSA-N 1 3 213.325 0.213 10 0 BCAEHO C[C@@H]1CN(C2CCN(CC[NH3+])CC2)CCO1 ZINC000261585504 135226882 /nfs/dbraw/zinc/22/68/82/135226882.db2.gz QMRPOHPSAFTMPH-LLVKDONJSA-N 1 3 227.352 0.130 10 0 BCAEHO OCCN(C[C@H]1CCC[NH2+]C1)C1CCOCC1 ZINC000261958659 135266446 /nfs/dbraw/zinc/26/64/46/135266446.db2.gz OXWLXIDWTPYJEB-LBPRGKRZSA-N 1 3 242.363 0.459 10 0 BCAEHO OCC[N@H+](C[C@H]1CCCNC1)C1CCOCC1 ZINC000261958659 135266447 /nfs/dbraw/zinc/26/64/47/135266447.db2.gz OXWLXIDWTPYJEB-LBPRGKRZSA-N 1 3 242.363 0.459 10 0 BCAEHO OCC[N@@H+](C[C@H]1CCCNC1)C1CCOCC1 ZINC000261958659 135266448 /nfs/dbraw/zinc/26/64/48/135266448.db2.gz OXWLXIDWTPYJEB-LBPRGKRZSA-N 1 3 242.363 0.459 10 0 BCAEHO CC(C)N(C)CC(=O)N1CC[C@H]([NH3+])C(C)(C)C1 ZINC000262108866 135279697 /nfs/dbraw/zinc/27/96/97/135279697.db2.gz VNEVTVDTIYXOMZ-NSHDSACASA-N 1 3 241.379 0.912 10 0 BCAEHO CCC[C@](C)(N)C(=O)N[C@@H]1CCC[C@@H]1C[NH3+] ZINC000262629833 135309759 /nfs/dbraw/zinc/30/97/59/135309759.db2.gz NFEPQEIIGYTBSR-FOGDFJRCSA-N 1 3 227.352 0.748 10 0 BCAEHO CCC[C@](C)(N)C(=O)N[C@H]1CCC[NH2+][C@H]1C ZINC000262839101 135321298 /nfs/dbraw/zinc/32/12/98/135321298.db2.gz WZGWGMVDYXWGLZ-NHCYSSNCSA-N 1 3 227.352 0.761 10 0 BCAEHO C[C@H]1CN(C)CC[C@@H]1N(C)C(=O)C1C[NH2+]C1 ZINC000263236826 135341890 /nfs/dbraw/zinc/34/18/90/135341890.db2.gz BSTOAUPPVGYIAG-ONGXEEELSA-N 1 3 225.336 0.004 10 0 BCAEHO C[C@H](CNC(=O)C1C[NH2+]C1)N1CCC(C)CC1 ZINC000263279594 135344135 /nfs/dbraw/zinc/34/41/35/135344135.db2.gz JITYWGFGJFCZBB-LLVKDONJSA-N 1 3 239.363 0.442 10 0 BCAEHO CC(C)C[C@H](N)C(=O)N[C@H]1CCC[NH2+][C@@H]1C ZINC000193523745 135594288 /nfs/dbraw/zinc/59/42/88/135594288.db2.gz DXHDBIXMMBEHCD-VWYCJHECSA-N 1 3 227.352 0.617 10 0 BCAEHO CC(C)[NH2+]CCCN1C[C@@H](C(N)=O)CC[C@H]1C ZINC000042438666 167103226 /nfs/dbraw/zinc/10/32/26/167103226.db2.gz IPSADXPWYSSIII-NEPJUHHUSA-N 1 3 241.379 0.960 10 0 BCAEHO CC(C)OCCN1CCN(CCCC[NH3+])CC1 ZINC000049259250 167232254 /nfs/dbraw/zinc/23/22/54/167232254.db2.gz HBHBSFRGKRWQNB-UHFFFAOYSA-N 1 3 243.395 0.768 10 0 BCAEHO CC(C)[C@@H]([NH3+])CC(=O)N[C@H]1CCCN(C)C1 ZINC000128985468 410364996 /nfs/dbraw/zinc/36/49/96/410364996.db2.gz XOCJEJYRMVIMEB-QWRGUYRKSA-N 1 3 227.352 0.570 10 0 BCAEHO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)N)C1 ZINC000245881190 167031614 /nfs/dbraw/zinc/03/16/14/167031614.db2.gz BEFMHXYZRJHHET-KXUCPTDWSA-N 1 3 213.325 0.179 10 0 BCAEHO CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)N)C1 ZINC000245881190 167031616 /nfs/dbraw/zinc/03/16/16/167031616.db2.gz BEFMHXYZRJHHET-KXUCPTDWSA-N 1 3 213.325 0.179 10 0 BCAEHO CC(C)NCC[NH2+]CCCN1CCOCC1 ZINC000049478649 167107330 /nfs/dbraw/zinc/10/73/30/167107330.db2.gz MUDYANCNTPXVGJ-UHFFFAOYSA-N 1 3 229.368 0.296 10 0 BCAEHO CC(C)[NH2+]C[C@H]1CC(=O)N(CCN(C)C)C1 ZINC000077341733 167115231 /nfs/dbraw/zinc/11/52/31/167115231.db2.gz NMISJZCZGSBGAH-LLVKDONJSA-N 1 3 227.352 0.395 10 0 BCAEHO CC(C)[C@@H](CN(C)C)NC(=O)CC[NH2+]C1CC1 ZINC000049221217 167394654 /nfs/dbraw/zinc/39/46/54/167394654.db2.gz YWDVZDLXWGSSPQ-GFCCVEGCSA-N 1 3 241.379 0.831 10 0 BCAEHO CC(C)[C@@H](CN(C)C)NC(=O)C1([NH3+])CCCC1 ZINC000049221247 167395422 /nfs/dbraw/zinc/39/54/22/167395422.db2.gz UHKHZOPZLVIMRC-LLVKDONJSA-N 1 3 241.379 0.960 10 0 BCAEHO CCC[C@H](N)C(=O)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000309734858 411219146 /nfs/dbraw/zinc/21/91/46/411219146.db2.gz CBROHIVQQBANLY-BBBLOLIVSA-N 1 3 213.325 0.371 10 0 BCAEHO CC(C)[C@@H]([NH3+])CC(=O)N1CCCN(C)CC1 ZINC000128884608 411293957 /nfs/dbraw/zinc/29/39/57/411293957.db2.gz AJFWRPASANVJJZ-NSHDSACASA-N 1 3 227.352 0.524 10 0 BCAEHO CC(C)[C@@H]([NH3+])CC(=O)NC1CCN(C)CC1 ZINC000128906990 411441772 /nfs/dbraw/zinc/44/17/72/411441772.db2.gz NANUALHPRAQFBZ-NSHDSACASA-N 1 3 227.352 0.570 10 0 BCAEHO CCNC(=O)CN[C@@H](C)C1CC[NH+](CC)CC1 ZINC000036780324 170065073 /nfs/dbraw/zinc/06/50/73/170065073.db2.gz TYABWCXSBPVQGF-NSHDSACASA-N 1 3 241.379 0.833 10 0 BCAEHO CC[NH2+]CCC(=O)N1CCN2CCC[C@H]2C1 ZINC000061295343 170111782 /nfs/dbraw/zinc/11/17/82/170111782.db2.gz UEBOKZSEAWDJAJ-NSHDSACASA-N 1 3 225.336 0.293 10 0 BCAEHO CC[NH2+][C@H]1CCN(C2CCN(C)CC2)C1 ZINC000037267474 170166581 /nfs/dbraw/zinc/16/65/81/170166581.db2.gz RJEZFXBSCKCNSO-NSHDSACASA-N 1 3 211.353 0.764 10 0 BCAEHO CC[NH2+][C@H]1CCN([C@@H]2CCCN(CC)C2)C1=O ZINC000049649195 170168322 /nfs/dbraw/zinc/16/83/22/170168322.db2.gz JJPRQPAQEHAEGV-NEPJUHHUSA-N 1 3 239.363 0.681 10 0 BCAEHO CC[C@@H]1CN(C2(C[NH3+])CCOCC2)CCN1C ZINC000104129577 171073315 /nfs/dbraw/zinc/07/33/15/171073315.db2.gz QWXOBRARBJOMKL-GFCCVEGCSA-N 1 3 241.379 0.520 10 0 BCAEHO CC[C@@H]1C[N@@H+](C2CCN(C)CC2)CCN1 ZINC000083060522 171077357 /nfs/dbraw/zinc/07/73/57/171077357.db2.gz QBSMFQZSUSHFKQ-LLVKDONJSA-N 1 3 211.353 0.764 10 0 BCAEHO CC[C@@H]1C[N@H+](C2CCN(C)CC2)CCN1 ZINC000083060522 171077360 /nfs/dbraw/zinc/07/73/60/171077360.db2.gz QBSMFQZSUSHFKQ-LLVKDONJSA-N 1 3 211.353 0.764 10 0 BCAEHO CC[C@@H]1CN(C2CCN(C)CC2)CC[NH2+]1 ZINC000083060522 171077363 /nfs/dbraw/zinc/07/73/63/171077363.db2.gz QBSMFQZSUSHFKQ-LLVKDONJSA-N 1 3 211.353 0.764 10 0 BCAEHO CC[C@@H]1CN([C@]2(C[NH3+])CCN(C)C2)CCN1C ZINC000104132104 171098137 /nfs/dbraw/zinc/09/81/37/171098137.db2.gz XBEFDZCJLZPMNH-OLZOCXBDSA-N 1 3 240.395 0.045 10 0 BCAEHO CC[C@H](C)[C@@H](N)C(=O)N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071189744 171369325 /nfs/dbraw/zinc/36/93/25/171369325.db2.gz UADINNRIFAAKSJ-QJPTWQEYSA-N 1 3 241.379 0.770 10 0 BCAEHO CC[C@H](C)[C@@H](N)C(=O)N(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071189744 171369327 /nfs/dbraw/zinc/36/93/27/171369327.db2.gz UADINNRIFAAKSJ-QJPTWQEYSA-N 1 3 241.379 0.770 10 0 BCAEHO OC[C@@H]([NH2+][C@@H]1CCCNCC1)C1CCC1 ZINC000665235739 412174542 /nfs/dbraw/zinc/17/45/42/412174542.db2.gz ZDFCPDVCGKFBAL-VXGBXAGGSA-N 1 3 212.337 0.879 10 0 BCAEHO OC[C@@H](N[C@@H]1CCC[NH2+]CC1)C1CCC1 ZINC000665235739 412174548 /nfs/dbraw/zinc/17/45/48/412174548.db2.gz ZDFCPDVCGKFBAL-VXGBXAGGSA-N 1 3 212.337 0.879 10 0 BCAEHO OC[C@H]([NH2+][C@H]1CCCNCC1)C1CCC1 ZINC000665235738 412174633 /nfs/dbraw/zinc/17/46/33/412174633.db2.gz ZDFCPDVCGKFBAL-RYUDHWBXSA-N 1 3 212.337 0.879 10 0 BCAEHO OC[C@H](N[C@H]1CCC[NH2+]CC1)C1CCC1 ZINC000665235738 412174637 /nfs/dbraw/zinc/17/46/37/412174637.db2.gz ZDFCPDVCGKFBAL-RYUDHWBXSA-N 1 3 212.337 0.879 10 0 BCAEHO C[C@H](NCCOCCF)[C@@H]1CC[NH2+]C1 ZINC000665299869 412248092 /nfs/dbraw/zinc/24/80/92/412248092.db2.gz UPVATTFQFUESLK-VHSXEESVSA-N 1 3 204.289 0.560 10 0 BCAEHO C[C@@H](NCCOCCF)[C@H]1CC[NH2+]C1 ZINC000665299870 412248133 /nfs/dbraw/zinc/24/81/33/412248133.db2.gz UPVATTFQFUESLK-ZJUUUORDSA-N 1 3 204.289 0.560 10 0 BCAEHO FCCOCCN[C@@H]1CCC[NH2+]CC1 ZINC000665299124 412248547 /nfs/dbraw/zinc/24/85/47/412248547.db2.gz GQUUXORYXPYHGR-SNVBAGLBSA-N 1 3 204.289 0.704 10 0 BCAEHO CN1CCCN(c2cc(C[NH3+])ccn2)CC1 ZINC000020217470 173017643 /nfs/dbraw/zinc/01/76/43/173017643.db2.gz DNFDFNZMWFIQDE-UHFFFAOYSA-N 1 3 220.320 0.682 10 0 BCAEHO CN1CCC[C@@H]1CNC(=O)[C@@]1(C)CCCC[NH2+]1 ZINC000227696605 173031454 /nfs/dbraw/zinc/03/14/54/173031454.db2.gz CQEXPOQGUFFFPU-DGCLKSJQSA-N 1 3 239.363 0.729 10 0 BCAEHO CN(C(=O)[C@@H]1CCC[NH2+]C1)[C@H]1CCCN(C)C1 ZINC000053245679 173043624 /nfs/dbraw/zinc/04/36/24/173043624.db2.gz BMHQVUAVPLBQJS-NEPJUHHUSA-N 1 3 239.363 0.539 10 0 BCAEHO CN1CCN([C@@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000037157161 173091908 /nfs/dbraw/zinc/09/19/08/173091908.db2.gz BHTFXWJZHCTUNF-VXGBXAGGSA-N 1 3 211.353 0.751 10 0 BCAEHO C[N@@H+]1CC[C@@H](CNC(=O)[C@](C)(N)C2CC2)C1 ZINC000037484870 173115849 /nfs/dbraw/zinc/11/58/49/173115849.db2.gz HLVMPVDXMPIUSP-JOYOIKCWSA-N 1 3 225.336 0.182 10 0 BCAEHO C[N@H+]1CC[C@@H](CNC(=O)[C@](C)(N)C2CC2)C1 ZINC000037484870 173115853 /nfs/dbraw/zinc/11/58/53/173115853.db2.gz HLVMPVDXMPIUSP-JOYOIKCWSA-N 1 3 225.336 0.182 10 0 BCAEHO CN(CC(C)(C)C)[C@]1(C[NH3+])CCN(C)C1 ZINC000061990720 173135487 /nfs/dbraw/zinc/13/54/87/173135487.db2.gz NSUHYOUHXMIMSS-LBPRGKRZSA-N 1 3 213.369 0.997 10 0 BCAEHO CN(C1CCCC1)[C@@]1(C[NH3+])CCN(C)C1 ZINC000061990179 173163113 /nfs/dbraw/zinc/16/31/13/173163113.db2.gz GTVBZKBSICTFDH-GFCCVEGCSA-N 1 3 211.353 0.894 10 0 BCAEHO CNC(=O)C1CC[NH+]([C@H]2CCC[C@H]2N)CC1 ZINC000042489248 173223400 /nfs/dbraw/zinc/22/34/00/173223400.db2.gz IFBFKMVITOJJLK-MNOVXSKESA-N 1 3 225.336 0.324 10 0 BCAEHO CNC(=O)C1CC[NH+]([C@@H]2CCC[C@@H]2N)CC1 ZINC000042489245 173224728 /nfs/dbraw/zinc/22/47/28/173224728.db2.gz IFBFKMVITOJJLK-WDEREUQCSA-N 1 3 225.336 0.324 10 0 BCAEHO CNC(=O)C1CCN(C[C@H](C)C[NH3+])CC1 ZINC000036128618 173224897 /nfs/dbraw/zinc/22/48/97/173224897.db2.gz ACJTVNBSJPJDKL-SECBINFHSA-N 1 3 213.325 0.039 10 0 BCAEHO CNC(=O)[C@@H]1CCCN1CCC[C@@H]1CCC[NH2+]1 ZINC000052764482 173299107 /nfs/dbraw/zinc/29/91/07/173299107.db2.gz HOIFBHQNVNSILU-RYUDHWBXSA-N 1 3 239.363 0.729 10 0 BCAEHO CNC(=O)[C@H]1CCCN1[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000042391764 173307731 /nfs/dbraw/zinc/30/77/31/173307731.db2.gz WGBGXQNEIWZIKW-IJLUTSLNSA-N 1 3 239.363 0.714 10 0 BCAEHO C[NH2+]C(C)(C)C(=O)N1CCN2CCC[C@H]2C1 ZINC000061317331 173318565 /nfs/dbraw/zinc/31/85/65/173318565.db2.gz HCELXNPMFDPIME-JTQLQIEISA-N 1 3 225.336 0.291 10 0 BCAEHO C[NH2+]C1CCN([C@@H]2CCCC[C@H]2O)CC1 ZINC000037690849 173323606 /nfs/dbraw/zinc/32/36/06/173323606.db2.gz GKFCEGGMIFSZFD-VXGBXAGGSA-N 1 3 212.337 0.974 10 0 BCAEHO CNCC(=O)NCC[N@H+](C)C(C)(C)C ZINC000077297145 173329493 /nfs/dbraw/zinc/32/94/93/173329493.db2.gz WIHUGFNIJMCAOG-UHFFFAOYSA-N 1 3 201.314 0.052 10 0 BCAEHO CNCC(=O)NCC[N@@H+](C)C(C)(C)C ZINC000077297145 173329495 /nfs/dbraw/zinc/32/94/95/173329495.db2.gz WIHUGFNIJMCAOG-UHFFFAOYSA-N 1 3 201.314 0.052 10 0 BCAEHO C[NH2+]C[C@@]1(CN(C)CCCOC)CCCOC1 ZINC000104321404 173373305 /nfs/dbraw/zinc/37/33/05/173373305.db2.gz WURNIYGWVDMXPT-CYBMUJFWSA-N 1 3 244.379 0.971 10 0 BCAEHO C[NH2+]C[C@H]1CC[C@@H](CN2CCC(OC)CC2)O1 ZINC000052455403 173382474 /nfs/dbraw/zinc/38/24/74/173382474.db2.gz RDEYDFCDZKATEG-OLZOCXBDSA-N 1 3 242.363 0.864 10 0 BCAEHO C[NH2+]C[C@H]1CC[C@@H](CN2CCSCC2)O1 ZINC000052443275 173382520 /nfs/dbraw/zinc/38/25/20/173382520.db2.gz OFTMCOKCHBAJBC-MNOVXSKESA-N 1 3 230.377 0.802 10 0 BCAEHO COCCC[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000104140341 174247151 /nfs/dbraw/zinc/24/71/51/174247151.db2.gz KCFZHAUHROVIPZ-UHFFFAOYSA-N 1 3 243.395 0.639 10 0 BCAEHO CC(C)[C@H]([NH3+])CC(=O)NC[C@H]1CCCN1C ZINC000225813606 487630243 /nfs/dbraw/zinc/63/02/43/487630243.db2.gz BNLPHFAWFRSSFM-GHMZBOCLSA-N 1 3 227.352 0.570 10 0 BCAEHO C[C@@H]1CCCCN1CCC[NH2+]CCO ZINC000020048060 176072348 /nfs/dbraw/zinc/07/23/48/176072348.db2.gz NDCBXHGIGVUIKU-LLVKDONJSA-N 1 3 200.326 0.833 10 0 BCAEHO C[C@@H]1CN(CC2(O)CC[NH2+]CC2)[C@H](C)CO1 ZINC000051015959 176284911 /nfs/dbraw/zinc/28/49/11/176284911.db2.gz BPWYRPVBZRXJCM-GHMZBOCLSA-N 1 3 228.336 0.210 10 0 BCAEHO C[C@@H]1C[NH2+]C[C@@H]1C(=O)N1CCN2CCC[C@@H]2C1 ZINC000104225619 176329220 /nfs/dbraw/zinc/32/92/20/176329220.db2.gz XNMSSLQOFDNCLW-UTUOFQBUSA-N 1 3 237.347 0.149 10 0 BCAEHO C[C@H]1CCCN([C@]2(C[NH3+])CCN(C)C2)C1 ZINC000061990019 177105480 /nfs/dbraw/zinc/10/54/80/177105480.db2.gz JVIJTQXZDOOHSW-RYUDHWBXSA-N 1 3 211.353 0.751 10 0 BCAEHO C[C@H]1CC[N@@H+](C2CCN(C)CC2)CCN1 ZINC000049661916 177156764 /nfs/dbraw/zinc/15/67/64/177156764.db2.gz AOMNDEIZWJPSTG-NSHDSACASA-N 1 3 211.353 0.764 10 0 BCAEHO C[C@H]1CC[N@H+](C2CCN(C)CC2)CCN1 ZINC000049661916 177156765 /nfs/dbraw/zinc/15/67/65/177156765.db2.gz AOMNDEIZWJPSTG-NSHDSACASA-N 1 3 211.353 0.764 10 0 BCAEHO C[C@H]1CCN(C2CCN(C)CC2)CC[NH2+]1 ZINC000049661916 177156768 /nfs/dbraw/zinc/15/67/68/177156768.db2.gz AOMNDEIZWJPSTG-NSHDSACASA-N 1 3 211.353 0.764 10 0 BCAEHO C[C@H]1CC[C@H](C(N)=O)C[N@@H+]1C1CCNCC1 ZINC000043501187 177198392 /nfs/dbraw/zinc/19/83/92/177198392.db2.gz VCBMVCQADTWEJS-UWVGGRQHSA-N 1 3 225.336 0.324 10 0 BCAEHO C[C@H]1CC[C@H](C(N)=O)C[N@H+]1C1CCNCC1 ZINC000043501187 177198394 /nfs/dbraw/zinc/19/83/94/177198394.db2.gz VCBMVCQADTWEJS-UWVGGRQHSA-N 1 3 225.336 0.324 10 0 BCAEHO C[C@H]1CC[C@H](C(N)=O)CN1C1CC[NH2+]CC1 ZINC000043501187 177198395 /nfs/dbraw/zinc/19/83/95/177198395.db2.gz VCBMVCQADTWEJS-UWVGGRQHSA-N 1 3 225.336 0.324 10 0 BCAEHO C[C@H]1CC[C@H](C[NH3+])CN1CCn1cccn1 ZINC000042427516 177200705 /nfs/dbraw/zinc/20/07/05/177200705.db2.gz LCBAWUJQLIEBSO-NWDGAFQWSA-N 1 3 222.336 0.942 10 0 BCAEHO C[C@H]1CN(CCOC2CC[NH2+]CC2)CCCO1 ZINC000104385499 177253350 /nfs/dbraw/zinc/25/33/50/177253350.db2.gz FEIPGNVTDOQEDW-LBPRGKRZSA-N 1 3 242.363 0.866 10 0 BCAEHO C[C@H]1CN2CCC[C@@H]2CN1C(=O)C(C)(C)C[NH3+] ZINC000094459033 177280852 /nfs/dbraw/zinc/28/08/52/177280852.db2.gz PQMCMWVLTQOARQ-WDEREUQCSA-N 1 3 239.363 0.666 10 0 BCAEHO C[C@H]1CNCC[N@@H+](C2CCN(C)CC2)C1 ZINC000049661913 177282569 /nfs/dbraw/zinc/28/25/69/177282569.db2.gz WPSPAYJILQQVOQ-NSHDSACASA-N 1 3 211.353 0.622 10 0 BCAEHO C[C@H]1CNCC[N@H+](C2CCN(C)CC2)C1 ZINC000049661913 177282570 /nfs/dbraw/zinc/28/25/70/177282570.db2.gz WPSPAYJILQQVOQ-NSHDSACASA-N 1 3 211.353 0.622 10 0 BCAEHO C[C@H]1C[C@@H]2C[NH2+]C[C@@H]2N1C(=O)[C@@H]1CCN(C)C1 ZINC000037758680 177352986 /nfs/dbraw/zinc/35/29/86/177352986.db2.gz OCYWKTDVCGEFJQ-QCNOEVLYSA-N 1 3 237.347 0.147 10 0 BCAEHO C[C@H]1[NH2+]CCC[C@@H]1C(=O)NCCN(C)C1CC1 ZINC000094648278 177395147 /nfs/dbraw/zinc/39/51/47/177395147.db2.gz KMIBQVPJOGPENJ-PWSUYJOCSA-N 1 3 239.363 0.585 10 0 BCAEHO CN(CCNC(=O)[C@H]1CCC[C@H]1C[NH3+])C1CC1 ZINC000250020238 487726707 /nfs/dbraw/zinc/72/67/07/487726707.db2.gz YBDKCFYANLFRPI-JQWIXIFHSA-N 1 3 239.363 0.572 10 0 BCAEHO CC(C)[C@H]([NH3+])CC(=O)N1CCC[C@@H]1CN(C)C ZINC000136455472 487737213 /nfs/dbraw/zinc/73/72/13/487737213.db2.gz PEAMUBYBDRTYDH-VXGBXAGGSA-N 1 3 241.379 0.912 10 0 BCAEHO C[C@@H](O)C1CCN(C[C@@H]2CC[NH2+]C2)CC1 ZINC000226437552 487745531 /nfs/dbraw/zinc/74/55/31/487745531.db2.gz AOJAPSVQXLJBIS-GHMZBOCLSA-N 1 3 212.337 0.689 10 0 BCAEHO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C[C@H]1CNCCO1 ZINC000251749935 487795222 /nfs/dbraw/zinc/79/52/22/487795222.db2.gz LGXXTTWEYHERAT-JHJVBQTASA-N 1 3 239.363 0.143 10 0 BCAEHO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C[C@H]1CNCCO1 ZINC000251749935 487795226 /nfs/dbraw/zinc/79/52/26/487795226.db2.gz LGXXTTWEYHERAT-JHJVBQTASA-N 1 3 239.363 0.143 10 0 BCAEHO CC(C)NCC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000251888325 487805496 /nfs/dbraw/zinc/80/54/96/487805496.db2.gz VJBJLBIWPWQUSD-NEPJUHHUSA-N 1 3 239.363 0.680 10 0 BCAEHO CC(C)NCC(=O)N1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC000251888325 487805502 /nfs/dbraw/zinc/80/55/02/487805502.db2.gz VJBJLBIWPWQUSD-NEPJUHHUSA-N 1 3 239.363 0.680 10 0 BCAEHO C[C@@H]1[NH2+]CCC[C@H]1C(=O)N[C@H]1CCCN(C)C1 ZINC000252651289 487828410 /nfs/dbraw/zinc/82/84/10/487828410.db2.gz HCSXGRKUJOKGLN-SDDRHHMPSA-N 1 3 239.363 0.585 10 0 BCAEHO CN[C@@H](C)C(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000227456187 487909438 /nfs/dbraw/zinc/90/94/38/487909438.db2.gz ZZJUGIAPPRAIBZ-DCAQKATOSA-N 1 3 225.336 0.289 10 0 BCAEHO CN[C@@H](C)C(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC000227456187 487909442 /nfs/dbraw/zinc/90/94/42/487909442.db2.gz ZZJUGIAPPRAIBZ-DCAQKATOSA-N 1 3 225.336 0.289 10 0 BCAEHO C[NH2+][C@@H](C)C(=O)N1C[C@@H]2CCCN2C[C@@H]1C ZINC000227456187 487909445 /nfs/dbraw/zinc/90/94/45/487909445.db2.gz ZZJUGIAPPRAIBZ-DCAQKATOSA-N 1 3 225.336 0.289 10 0 BCAEHO CCC[C@H](C(=O)N1CC[C@H]([NH+](C)C)C1)N(C)C ZINC000133055807 325263657 /nfs/dbraw/zinc/26/36/57/325263657.db2.gz SIAMNQFQKKEOGF-NWDGAFQWSA-N 1 3 241.379 0.879 10 0 BCAEHO [NH3+]C[C@@H]1CCC[C@@H]1C(=O)N1CCCNCC1 ZINC000084309502 488043875 /nfs/dbraw/zinc/04/38/75/488043875.db2.gz BDEUNFRCSKQUOY-QWRGUYRKSA-N 1 3 225.336 0.183 10 0 BCAEHO CCCN1CC[C@H](NC(=O)[C@H]2CC[NH2+]C2)C1 ZINC000389248800 488083669 /nfs/dbraw/zinc/08/36/69/488083669.db2.gz BDBSZMXMHAQVMD-QWRGUYRKSA-N 1 3 225.336 0.196 10 0 BCAEHO C[C@@]1(C(=O)NCCN2CCCC2)CCCC[NH2+]1 ZINC000136195582 488085423 /nfs/dbraw/zinc/08/54/23/488085423.db2.gz VBSNSINUDVXQQW-ZDUSSCGKSA-N 1 3 239.363 0.731 10 0 BCAEHO CC(C)[NH2+]CC(=O)N1CC[C@H](N(C)C)C1 ZINC000062972421 488099738 /nfs/dbraw/zinc/09/97/38/488099738.db2.gz DLHUSRIKXURKDU-JTQLQIEISA-N 1 3 213.325 0.147 10 0 BCAEHO CC(C)[C@@H]([NH3+])CC(=O)N[C@H]1CCN(C2CC2)C1 ZINC000136445881 488103413 /nfs/dbraw/zinc/10/34/13/488103413.db2.gz ZFORMEWXCVBNFN-JQWIXIFHSA-N 1 3 239.363 0.713 10 0 BCAEHO CCCN1CC[C@H](NC(=O)[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000389636189 488103788 /nfs/dbraw/zinc/10/37/88/488103788.db2.gz JJHPOVSQZTYNRM-WOPDTQHZSA-N 1 3 239.363 0.714 10 0 BCAEHO CC(C)[C@H]([NH3+])CC(=O)N1CCC[C@H](N(C)C)C1 ZINC000136479773 488106047 /nfs/dbraw/zinc/10/60/47/488106047.db2.gz QDGZHMMDUDRCCP-NWDGAFQWSA-N 1 3 241.379 0.912 10 0 BCAEHO C[C@H](CNC(=O)C[C@@H]1CC[NH2+]C1)N1CCCC1 ZINC000161058849 487475127 /nfs/dbraw/zinc/47/51/27/487475127.db2.gz POXLCETXECKHNO-NEPJUHHUSA-N 1 3 239.363 0.587 10 0 BCAEHO CCN1CCC[C@@H](NC(=O)CC2([NH3+])CCC2)C1 ZINC000094294963 487526175 /nfs/dbraw/zinc/52/61/75/487526175.db2.gz JNFMQWXWDORLNU-LLVKDONJSA-N 1 3 239.363 0.858 10 0 BCAEHO CCN1CCC[C@@H](NC(=O)[C@@H]2CCC[C@@H]2[NH3+])C1 ZINC000085370577 488164414 /nfs/dbraw/zinc/16/44/14/488164414.db2.gz TXUONWXNJKTORB-UTUOFQBUSA-N 1 3 239.363 0.714 10 0 BCAEHO CCN1CCC[C@@H](NC(=O)CC2([NH3+])CC2)C1 ZINC000398125754 488211990 /nfs/dbraw/zinc/21/19/90/488211990.db2.gz SQOQTQYJWNYYLK-SNVBAGLBSA-N 1 3 225.336 0.468 10 0 BCAEHO O=C(C[C@H]1CCC[NH2+]C1)NCCN1CCCC1 ZINC000054293034 488238042 /nfs/dbraw/zinc/23/80/42/488238042.db2.gz ACOYRPDDQUBWMC-GFCCVEGCSA-N 1 3 239.363 0.588 10 0 BCAEHO C[C@@H](CC(C)(C)C[NH3+])N1CC[C@@H]1C(N)=O ZINC000757143731 582524288 /nfs/dbraw/zinc/52/42/88/582524288.db2.gz HOOJWKBQVVOYAM-DTWKUNHWSA-N 1 3 213.325 0.310 10 0 BCAEHO CCN1CCC[C@@H](NC(=O)[C@@]2(C)CC[NH2+]C2)C1 ZINC000219842467 535534118 /nfs/dbraw/zinc/53/41/18/535534118.db2.gz CVTXZLYHMCHHKH-YPMHNXCESA-N 1 3 239.363 0.587 10 0 BCAEHO CN1CCC[C@@H]1CNC(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000261544762 536374269 /nfs/dbraw/zinc/37/42/69/536374269.db2.gz ZSVCAHBWXVUQEP-QJPTWQEYSA-N 1 3 239.363 0.714 10 0 BCAEHO CC(C)[C@H](N)C(=O)N[C@H]1CCC[C@@H]1C[NH3+] ZINC000261558094 535059288 /nfs/dbraw/zinc/05/92/88/535059288.db2.gz XVFDTONOFSCQTO-UTLUCORTSA-N 1 3 213.325 0.213 10 0 BCAEHO CC(C)[C@H](N)C(=O)N[C@H]1CCC[C@H]1C[NH3+] ZINC000261558092 535060367 /nfs/dbraw/zinc/06/03/67/535060367.db2.gz XVFDTONOFSCQTO-GUBZILKMSA-N 1 3 213.325 0.213 10 0 BCAEHO CCC[C@@H](N)C(=O)N[C@@H](C[NH3+])CC(C)C ZINC000261556270 535347713 /nfs/dbraw/zinc/34/77/13/535347713.db2.gz VWXZLMCUEHGTIN-NXEZZACHSA-N 1 3 215.341 0.603 10 0 BCAEHO CCC[C@H](N)C(=O)N[C@@](C)(C[NH3+])C1CC1 ZINC000261542674 535678059 /nfs/dbraw/zinc/67/80/59/535678059.db2.gz HDMASAZAJYWCLL-ONGXEEELSA-N 1 3 213.325 0.357 10 0 BCAEHO CCC[C@H](N)C(=O)N[C@](C)(C[NH3+])C(C)C ZINC000261539780 535680153 /nfs/dbraw/zinc/68/01/53/535680153.db2.gz DDEKGASMRVWXJO-GXSJLCMTSA-N 1 3 215.341 0.603 10 0 BCAEHO CC[C@@H]1C[C@H](C[NH2+]C[C@H]2CNC[C@H]2O)CCO1 ZINC000263308208 535900604 /nfs/dbraw/zinc/90/06/04/535900604.db2.gz YFPNJWZVASGMJQ-YVECIDJPSA-N 1 3 242.363 0.362 10 0 BCAEHO CC[C@@H]1C[C@H](CNC[C@H]2C[NH2+]C[C@H]2O)CCO1 ZINC000263308208 535900602 /nfs/dbraw/zinc/90/06/02/535900602.db2.gz YFPNJWZVASGMJQ-YVECIDJPSA-N 1 3 242.363 0.362 10 0 BCAEHO CN1CCC[C@@H]1CNC(=O)[C@]1(C)CCCC[NH2+]1 ZINC000261539943 536375986 /nfs/dbraw/zinc/37/59/86/536375986.db2.gz CQEXPOQGUFFFPU-YPMHNXCESA-N 1 3 239.363 0.729 10 0 BCAEHO N[C@@H](CC1CC1)C(=O)Nc1ccnn1C1C[NH2+]C1 ZINC000725257966 538070229 /nfs/dbraw/zinc/07/02/29/538070229.db2.gz BHUXCZXGUNAMRW-JTQLQIEISA-N 1 3 249.318 0.093 10 0 BCAEHO C1[NH2+]CC12CCN[C@]1(CCCSC1)O2 ZINC000757144600 582525611 /nfs/dbraw/zinc/52/56/11/582525611.db2.gz GDBKUDHRKAZKKJ-SNVBAGLBSA-N 1 3 214.334 0.562 10 0 BCAEHO [NH3+][C@H]1CCNC[C@H]1c1cccc(C=O)c1 ZINC000757216892 582561987 /nfs/dbraw/zinc/56/19/87/582561987.db2.gz RCPMRQYNOVTYFR-RYUDHWBXSA-N 1 3 204.273 0.903 10 0 BCAEHO N[C@H]1CC[NH2+]C[C@H]1c1cccc(C=O)c1 ZINC000757216892 582561990 /nfs/dbraw/zinc/56/19/90/582561990.db2.gz RCPMRQYNOVTYFR-RYUDHWBXSA-N 1 3 204.273 0.903 10 0 BCAEHO COC(=O)[C@@H]1CCN[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000757206717 586437320 /nfs/dbraw/zinc/43/73/20/586437320.db2.gz AJIBQGJYXOXPND-MXWKQRLJSA-N 1 3 226.320 0.527 10 0 BCAEHO [NH3+][C@@H](CC(=O)N1CCN2CCC[C@@H]2C1)C1CC1 ZINC000137322122 592172626 /nfs/dbraw/zinc/17/26/26/592172626.db2.gz IODGXFXCZPGIAE-NEPJUHHUSA-N 1 3 237.347 0.420 10 0 BCAEHO C[C@@H]1CN(c2ccncc2CO)C[C@@H]1[NH+](C)C ZINC000124783856 634433363 /nfs/dbraw/zinc/43/33/63/634433363.db2.gz LKDHAPISNFVFEH-MFKMUULPSA-N 1 3 235.331 0.960 10 0 BCAEHO CC[NH2+]CC(=O)N[C@@H]1CCCN(CC)C1 ZINC000044651163 631819161 /nfs/dbraw/zinc/81/91/61/631819161.db2.gz WYTYNXCUTDQCJA-SNVBAGLBSA-N 1 3 213.325 0.196 10 0 BCAEHO CCC[C@H](N)C(=O)N1CCCC[C@H]1C[NH3+] ZINC000236801522 633841471 /nfs/dbraw/zinc/84/14/71/633841471.db2.gz KPFCKXWBZCICJS-UWVGGRQHSA-N 1 3 213.325 0.454 10 0 BCAEHO C[NH2+][C@H](C)C(=O)NC[C@@H](C)N1CCCCC1 ZINC000054075648 635346049 /nfs/dbraw/zinc/34/60/49/635346049.db2.gz WGCQLCGSEGYCPY-GHMZBOCLSA-N 1 3 227.352 0.585 10 0 BCAEHO CCOC[C@H](O)CN(C)[C@@H]1CCC[NH2+]CC1 ZINC000226467106 640767291 /nfs/dbraw/zinc/76/72/91/640767291.db2.gz WDDKOBYVBXNXCR-VXGBXAGGSA-N 1 3 230.352 0.458 10 0 BCAEHO COC[C@@H](O)CN(C)[C@@H]1CCC[NH2+]CC1 ZINC000168807879 640828797 /nfs/dbraw/zinc/82/87/97/640828797.db2.gz QBYRXJNONYNHRI-MNOVXSKESA-N 1 3 216.325 0.068 10 0 BCAEHO CCCCOC[C@H](O)CN1CC[C@@H](C[NH3+])C1 ZINC000227910276 640853418 /nfs/dbraw/zinc/85/34/18/640853418.db2.gz QLYKXDKJWNODFZ-NWDGAFQWSA-N 1 3 230.352 0.445 10 0 BCAEHO CC(C)N(CCO)C[C@H]1CCC[NH2+]C1 ZINC000087647819 640955571 /nfs/dbraw/zinc/95/55/71/640955571.db2.gz DDXSDMAPUFLXEG-NSHDSACASA-N 1 3 200.326 0.689 10 0 BCAEHO CC(C)N(CCO)C[C@@H]1CCC[NH2+]C1 ZINC000087647817 640955592 /nfs/dbraw/zinc/95/55/92/640955592.db2.gz DDXSDMAPUFLXEG-LLVKDONJSA-N 1 3 200.326 0.689 10 0 BCAEHO C[NH+](C)[C@@H]1CCN(c2ccncc2CO)C1 ZINC000088110291 641315396 /nfs/dbraw/zinc/31/53/96/641315396.db2.gz GJVIUQHTEREQMR-LLVKDONJSA-N 1 3 221.304 0.714 10 0 BCAEHO CN(C[C@H](O)C1CC1)C[C@H]1CC[N@H+](C)C1 ZINC000068909573 642809083 /nfs/dbraw/zinc/80/90/83/642809083.db2.gz ZNXHHDJUJQJXMS-JQWIXIFHSA-N 1 3 212.337 0.641 10 0 BCAEHO CN(C[C@H](O)C1CC1)C[C@H]1CC[N@@H+](C)C1 ZINC000068909573 642809086 /nfs/dbraw/zinc/80/90/86/642809086.db2.gz ZNXHHDJUJQJXMS-JQWIXIFHSA-N 1 3 212.337 0.641 10 0 BCAEHO NC(=O)[C@H]1CCN1[C@@H]1CCC[C@@H](C[NH3+])C1 ZINC000757155228 643345971 /nfs/dbraw/zinc/34/59/71/643345971.db2.gz FKNQKQSPHQWEJD-OPRDCNLKSA-N 1 3 211.309 0.064 10 0 BCAEHO CC(C)N(C)CC(=O)N[C@@H]1CCC[NH2+][C@H]1C ZINC000193640690 644265083 /nfs/dbraw/zinc/26/50/83/644265083.db2.gz CVDXLALQVIQIDS-WDEREUQCSA-N 1 3 227.352 0.583 10 0 BCAEHO CC1CCN(CCN[C@H]2CC[NH2+]C2)CC1 ZINC000086729194 644468063 /nfs/dbraw/zinc/46/80/63/644468063.db2.gz KIBXYPSIQOBLSQ-LBPRGKRZSA-N 1 3 211.353 0.670 10 0 BCAEHO C(CN1CCCCCC1)N[C@@H]1CC[NH2+]C1 ZINC000086729185 644470657 /nfs/dbraw/zinc/47/06/57/644470657.db2.gz OTQHICAQXAVYGR-GFCCVEGCSA-N 1 3 211.353 0.814 10 0 BCAEHO C[NH+](C)[C@@H]1CCN(C(=O)[C@H](N)CC2CC2)C1 ZINC000304308551 644889727 /nfs/dbraw/zinc/88/97/27/644889727.db2.gz CKQRADUJCGRKOJ-GHMZBOCLSA-N 1 3 225.336 0.276 10 0 BCAEHO COC1CC(NC[C@H](O)C[N@H+](C)C2CC2)C1 ZINC000380999634 710597286 /nfs/dbraw/zinc/59/72/86/710597286.db2.gz NTPYHHBAMCJULS-ZYXZCXLHSA-N 1 3 228.336 0.209 10 0 BCAEHO COC1CC(NC[C@H](O)C[N@@H+](C)C2CC2)C1 ZINC000380999634 710597291 /nfs/dbraw/zinc/59/72/91/710597291.db2.gz NTPYHHBAMCJULS-ZYXZCXLHSA-N 1 3 228.336 0.209 10 0 BCAEHO C(N[C@@H]1CCC[NH2+]CC1)[C@H]1C[C@@H]2COC[C@@H]2O1 ZINC000724543807 711588365 /nfs/dbraw/zinc/58/83/65/711588365.db2.gz HRLDLHXGXRLZQV-LPWJVIDDSA-N 1 3 240.347 0.522 10 0 BCAEHO C[C@@H]1CN(CCO[C@@H]2CCOC2)C[C@@H]1C[NH3+] ZINC000724945011 711744754 /nfs/dbraw/zinc/74/47/54/711744754.db2.gz WAAMRCVWVFTJON-GRYCIOLGSA-N 1 3 228.336 0.319 10 0 BCAEHO O[C@H]1C[C@H]2C[C@@H](C1)N(CCC[NH2+]C1CC1)C2 ZINC000709782068 712226601 /nfs/dbraw/zinc/22/66/01/712226601.db2.gz CCVBMOLDCLLWCE-WXHSDQCUSA-N 1 3 224.348 0.974 10 0 BCAEHO O[C@H]1C[C@H]2C[C@@H](C1)[N@H+](CCCNC1CC1)C2 ZINC000709782068 712226603 /nfs/dbraw/zinc/22/66/03/712226603.db2.gz CCVBMOLDCLLWCE-WXHSDQCUSA-N 1 3 224.348 0.974 10 0 BCAEHO O[C@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCCNC1CC1)C2 ZINC000709782068 712226604 /nfs/dbraw/zinc/22/66/04/712226604.db2.gz CCVBMOLDCLLWCE-WXHSDQCUSA-N 1 3 224.348 0.974 10 0 BCAEHO C[NH+](C)CC1(O)CCN([C@H]2CCOC2)CC1 ZINC000710640844 712264899 /nfs/dbraw/zinc/26/48/99/712264899.db2.gz FVFMABXLUFLLOB-NSHDSACASA-N 1 3 228.336 0.164 10 0 BCAEHO C[C@H](N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)c1cn(C)nn1 ZINC000720601655 712857297 /nfs/dbraw/zinc/85/72/97/712857297.db2.gz IJSBWVWXRYWDPH-IRCOFANPSA-N 1 3 249.362 0.854 10 0 BCAEHO CN1CCC[C@@H]2[C@H]1CCN2C(=O)[C@H]1CC[NH2+]C1 ZINC000720885182 712874330 /nfs/dbraw/zinc/87/43/30/712874330.db2.gz CWUDJIJBNBSRPB-QJPTWQEYSA-N 1 3 237.347 0.291 10 0 BCAEHO CN(CCNC(=O)C[C@H]1CCC[NH2+]C1)C1CC1 ZINC000062010198 349436508 /nfs/dbraw/zinc/43/65/08/349436508.db2.gz LYIDCQDUJGQIOK-LLVKDONJSA-N 1 3 239.363 0.587 10 0 BCAEHO CC[C@H](C)[C@@H](N)C(=O)N[C@@H](C)CC[NH3+] ZINC000389872935 398143106 /nfs/dbraw/zinc/14/31/06/398143106.db2.gz KGNDKIJVEXSDGS-XHNCKOQMSA-N 1 3 201.314 0.213 10 0 BCAEHO C[NH2+][C@H](C)C(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000062973246 349503075 /nfs/dbraw/zinc/50/30/75/349503075.db2.gz OOMBHGGLDLPKBD-GHMZBOCLSA-N 1 3 225.336 0.291 10 0 BCAEHO CCC[C@H](N)C(=O)N1CCC(C)([NH3+])CC1 ZINC000381291045 398249617 /nfs/dbraw/zinc/24/96/17/398249617.db2.gz DBYYPYVKWVMZMW-VIFPVBQESA-N 1 3 213.325 0.454 10 0 BCAEHO NCC[N@@H+]1CC[C@H](c2ccccc2CCO)C1 ZINC000616612829 349592898 /nfs/dbraw/zinc/59/28/98/349592898.db2.gz SSVJZEZJPMGOKD-ZDUSSCGKSA-N 1 3 234.343 0.969 10 0 BCAEHO NCC[N@H+]1CC[C@H](c2ccccc2CCO)C1 ZINC000616612829 349592899 /nfs/dbraw/zinc/59/28/99/349592899.db2.gz SSVJZEZJPMGOKD-ZDUSSCGKSA-N 1 3 234.343 0.969 10 0 BCAEHO CC[C@H](COC)N[C@@H](C)[C@@H]1CC[NH2+]C1 ZINC000400554754 529398970 /nfs/dbraw/zinc/39/89/70/529398970.db2.gz YWBXJRXLODUZGI-HBNTYKKESA-N 1 3 200.326 0.999 10 0 BCAEHO C[C@@H](CNC(=O)[C@H]1CCC[NH2+]C1)N(C)C1CC1 ZINC000167334785 136245490 /nfs/dbraw/zinc/24/54/90/136245490.db2.gz DTEFNRJWMPPQMY-QWRGUYRKSA-N 1 3 239.363 0.585 10 0 BCAEHO CC[NH+](CC)[C@@H](C)CNC(=O)[C@H](N)C(C)C ZINC000309261819 342926733 /nfs/dbraw/zinc/92/67/33/342926733.db2.gz IITDHRKKDYKUEF-WDEREUQCSA-N 1 3 229.368 0.816 10 0 BCAEHO CCC[C@H](N)C(=O)NCCC[NH+]1CCCC1 ZINC000036873140 342992780 /nfs/dbraw/zinc/99/27/80/342992780.db2.gz WWCHVLQWBIXSDF-NSHDSACASA-N 1 3 227.352 0.716 10 0 BCAEHO C[C@@H](CNC(=O)[C@@H]1C[NH2+]C[C@H]1C)N1CCCC1 ZINC000235290695 343000658 /nfs/dbraw/zinc/00/06/58/343000658.db2.gz VBDIRCBZEJENMN-GRYCIOLGSA-N 1 3 239.363 0.442 10 0 BCAEHO CC(C)[N@H+](C)[C@@H]1CC2(CC[C@@H]1N)OCCO2 ZINC000023066581 344030715 /nfs/dbraw/zinc/03/07/15/344030715.db2.gz ODRXWHTZVQFKTP-WDEREUQCSA-N 1 3 228.336 0.950 10 0 BCAEHO CC(C)[N@@H+](C)[C@@H]1CC2(CC[C@@H]1N)OCCO2 ZINC000023066581 344030718 /nfs/dbraw/zinc/03/07/18/344030718.db2.gz ODRXWHTZVQFKTP-WDEREUQCSA-N 1 3 228.336 0.950 10 0 BCAEHO CC(C)COC[C@H](O)CNC[C@@H]1CC[N@H+](C)C1 ZINC000037894170 187260585 /nfs/dbraw/zinc/26/05/85/187260585.db2.gz CQHPFKSZDOGOCE-QWHCGFSZSA-N 1 3 244.379 0.561 10 0 BCAEHO CC(C)COC[C@H](O)CNC[C@@H]1CC[N@@H+](C)C1 ZINC000037894170 187260587 /nfs/dbraw/zinc/26/05/87/187260587.db2.gz CQHPFKSZDOGOCE-QWHCGFSZSA-N 1 3 244.379 0.561 10 0 BCAEHO C1CC1N1CCC[C@H](N2CC[NH2+]CC2)C1 ZINC000073653251 187261045 /nfs/dbraw/zinc/26/10/45/187261045.db2.gz NZWQLATWXXNKJE-LBPRGKRZSA-N 1 3 209.337 0.518 10 0 BCAEHO CC(C)[C@H](C[NH3+])C(=O)N(C)[C@H]1CCCN(C)C1 ZINC000053245202 187271238 /nfs/dbraw/zinc/27/12/38/187271238.db2.gz QEIPPBKZOVYRGJ-RYUDHWBXSA-N 1 3 241.379 0.770 10 0 BCAEHO COC(=O)CCN1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C ZINC000397298992 537823689 /nfs/dbraw/zinc/82/36/89/537823689.db2.gz CNOQDEPHGJGAKT-DCAQKATOSA-N 1 3 228.336 0.855 10 0 BCAEHO CCCN(CCN(C)C)C(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000091539688 344282312 /nfs/dbraw/zinc/28/23/12/344282312.db2.gz ZQBDJUVEGVOSBO-RYUDHWBXSA-N 1 3 241.379 0.914 10 0 BCAEHO CCC[C@H](N)C(=O)NCC(C)(C)[NH+](C)C ZINC000040807233 344357311 /nfs/dbraw/zinc/35/73/11/344357311.db2.gz ZIGXMLBQVJYRNP-VIFPVBQESA-N 1 3 215.341 0.570 10 0 BCAEHO COC(=O)CCCC[N@@H+]1C[C@@H](C)[C@@H](N)C1 ZINC000600710278 344360877 /nfs/dbraw/zinc/36/08/77/344360877.db2.gz MZXVXJLUHIAZHD-ZJUUUORDSA-N 1 3 214.309 0.609 10 0 BCAEHO COC(=O)CCCC[N@H+]1C[C@@H](C)[C@@H](N)C1 ZINC000600710278 344360878 /nfs/dbraw/zinc/36/08/78/344360878.db2.gz MZXVXJLUHIAZHD-ZJUUUORDSA-N 1 3 214.309 0.609 10 0 BCAEHO CCN(C(=O)[C@H](C)N)[C@@H]1CCC[NH2+]CC1 ZINC000381268998 344478821 /nfs/dbraw/zinc/47/88/21/344478821.db2.gz UYXAOEJNICHJSO-VHSXEESVSA-N 1 3 213.325 0.324 10 0 BCAEHO C[C@H]1SCC[N@H+](C[C@@H](O)CN)[C@@H]1C ZINC000221990431 349912707 /nfs/dbraw/zinc/91/27/07/349912707.db2.gz QPAZHGXTIRVRKB-HLTSFMKQSA-N 1 3 204.339 0.132 10 0 BCAEHO C[C@H]1SCC[N@@H+](C[C@@H](O)CN)[C@@H]1C ZINC000221990431 349912710 /nfs/dbraw/zinc/91/27/10/349912710.db2.gz QPAZHGXTIRVRKB-HLTSFMKQSA-N 1 3 204.339 0.132 10 0 BCAEHO C[C@H]1CCN(CC(C)(C)C[NH3+])C[C@@H]1O ZINC000230342649 344526946 /nfs/dbraw/zinc/52/69/46/344526946.db2.gz AUYAJHDKGARFLF-UWVGGRQHSA-N 1 3 200.326 0.674 10 0 BCAEHO C[C@H]1CC[N@H+](CC(C)(C)CN)C[C@@H]1O ZINC000230342649 344526948 /nfs/dbraw/zinc/52/69/48/344526948.db2.gz AUYAJHDKGARFLF-UWVGGRQHSA-N 1 3 200.326 0.674 10 0 BCAEHO C[C@H]1CC[N@@H+](CC(C)(C)CN)C[C@@H]1O ZINC000230342649 344526950 /nfs/dbraw/zinc/52/69/50/344526950.db2.gz AUYAJHDKGARFLF-UWVGGRQHSA-N 1 3 200.326 0.674 10 0 BCAEHO CN(C[C@@H]1CCCN(C)C1)C(=O)[C@H]1CC[NH2+]C1 ZINC000246238250 187297919 /nfs/dbraw/zinc/29/79/19/187297919.db2.gz IKRWYFOXOSLZAH-NEPJUHHUSA-N 1 3 239.363 0.396 10 0 BCAEHO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)C1(N)CCC1 ZINC000148426070 346502047 /nfs/dbraw/zinc/50/20/47/346502047.db2.gz IPPBSJBGVUBEJX-LLVKDONJSA-N 1 3 239.363 0.811 10 0 BCAEHO CC[N@H+]1CCC[C@@H]1CN(C)C(=O)C1(N)CCC1 ZINC000148426070 346502051 /nfs/dbraw/zinc/50/20/51/346502051.db2.gz IPPBSJBGVUBEJX-LLVKDONJSA-N 1 3 239.363 0.811 10 0 BCAEHO COC(=O)CCCN1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000601326453 347209345 /nfs/dbraw/zinc/20/93/45/347209345.db2.gz MYQHNMDAEKBCCJ-ZJUUUORDSA-N 1 3 214.309 0.466 10 0 BCAEHO COC[C@@H](C)N1CCC[NH2+]C[C@H](C)C1 ZINC000251680133 362897417 /nfs/dbraw/zinc/89/74/17/362897417.db2.gz HUPGQZOUQWWFFH-WDEREUQCSA-N 1 3 200.326 0.953 10 0 BCAEHO CN(C[C@H]1C[C@@]2(CC[NH2+]C2)CO1)C1CC1 ZINC000669382901 538005094 /nfs/dbraw/zinc/00/50/94/538005094.db2.gz NLBGKVRQSCACLP-VXGBXAGGSA-N 1 3 210.321 0.849 10 0 BCAEHO CN[C@H](C)C(=O)NCC[NH+](C(C)C)C(C)C ZINC000054071505 348873915 /nfs/dbraw/zinc/87/39/15/348873915.db2.gz PDFUUMMNVJSCNG-LLVKDONJSA-N 1 3 229.368 0.829 10 0 BCAEHO C[NH2+][C@@H](C)C(=O)N[C@H](CC(C)C)CN(C)C ZINC000054072708 348888408 /nfs/dbraw/zinc/88/84/08/348888408.db2.gz LKRCLLCBZZWERH-WDEREUQCSA-N 1 3 229.368 0.687 10 0 BCAEHO Cc1cc([C@H]2CC[NH2+]C[C@H]2N)cc(N)n1 ZINC000669385066 538019418 /nfs/dbraw/zinc/01/94/18/538019418.db2.gz WHMRVVYPAUIWCY-NXEZZACHSA-N 1 3 206.293 0.376 10 0 BCAEHO Cc1cc([C@H]2CCNC[C@H]2[NH3+])cc(N)n1 ZINC000669385066 538019426 /nfs/dbraw/zinc/01/94/26/538019426.db2.gz WHMRVVYPAUIWCY-NXEZZACHSA-N 1 3 206.293 0.376 10 0 BCAEHO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)CNC1CC1 ZINC000246387973 349097290 /nfs/dbraw/zinc/09/72/90/349097290.db2.gz BWHSRGOLFAIYFI-JQWIXIFHSA-N 1 3 237.347 0.434 10 0 BCAEHO C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)CNC1CC1 ZINC000246387973 349097292 /nfs/dbraw/zinc/09/72/92/349097292.db2.gz BWHSRGOLFAIYFI-JQWIXIFHSA-N 1 3 237.347 0.434 10 0 BCAEHO CN(C)[C@@H]1CCN(C(=O)[C@@]2(C)CCC[NH2+]2)C1 ZINC000070619353 350029754 /nfs/dbraw/zinc/02/97/54/350029754.db2.gz AJEDOOLIOILYPY-ZYHUDNBSSA-N 1 3 225.336 0.291 10 0 BCAEHO CCC[C@H](N)C(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000219973701 350153755 /nfs/dbraw/zinc/15/37/55/350153755.db2.gz HGHGFECIBHBPEU-ONGXEEELSA-N 1 3 227.352 0.713 10 0 BCAEHO CCC[C@H](N)C(=O)NC[C@H](C)[N@@H+](C)C1CC1 ZINC000219973701 350153759 /nfs/dbraw/zinc/15/37/59/350153759.db2.gz HGHGFECIBHBPEU-ONGXEEELSA-N 1 3 227.352 0.713 10 0 BCAEHO C[C@@](N)(C(=O)Nc1ccnn1C1C[NH2+]C1)C1CC1 ZINC000725258900 538077233 /nfs/dbraw/zinc/07/72/33/538077233.db2.gz JLMMQDGAKXUBQN-LBPRGKRZSA-N 1 3 249.318 0.093 10 0 BCAEHO CCCC[C@H](C)NC[C@@H]1C[NH2+]C[C@H]1O ZINC000336651805 350580058 /nfs/dbraw/zinc/58/00/58/350580058.db2.gz XIAMPGRVMOAEAA-GARJFASQSA-N 1 3 200.326 0.735 10 0 BCAEHO CCN(C(=O)[C@@H](C)N)[C@H]1CCC[NH2+]CC1 ZINC000309501212 350615031 /nfs/dbraw/zinc/61/50/31/350615031.db2.gz UYXAOEJNICHJSO-ZJUUUORDSA-N 1 3 213.325 0.324 10 0 BCAEHO NCC[N@@H+]1CCC[C@@H](c2ncc[nH]2)CC1 ZINC000616600235 350779396 /nfs/dbraw/zinc/77/93/96/350779396.db2.gz AQTJVEHCQGKGCD-SNVBAGLBSA-N 1 3 208.309 0.938 10 0 BCAEHO NCC[N@H+]1CCC[C@@H](c2ncc[nH]2)CC1 ZINC000616600235 350779398 /nfs/dbraw/zinc/77/93/98/350779398.db2.gz AQTJVEHCQGKGCD-SNVBAGLBSA-N 1 3 208.309 0.938 10 0 BCAEHO NCC[N@@H+]1CCCC[C@@H](n2ccnc2)C1 ZINC000616629879 351101700 /nfs/dbraw/zinc/10/17/00/351101700.db2.gz RGPMJCPYNHHPFR-LLVKDONJSA-N 1 3 208.309 0.869 10 0 BCAEHO NCC[N@H+]1CCCC[C@@H](n2ccnc2)C1 ZINC000616629879 351101703 /nfs/dbraw/zinc/10/17/03/351101703.db2.gz RGPMJCPYNHHPFR-LLVKDONJSA-N 1 3 208.309 0.869 10 0 BCAEHO [NH3+]CCN1CCNC[C@@H]1c1ccc(CCO)cc1 ZINC000616636722 351127873 /nfs/dbraw/zinc/12/78/73/351127873.db2.gz NQKBYBGJSOZHJT-CQSZACIVSA-N 1 3 249.358 0.126 10 0 BCAEHO C[C@@H](C[NH3+])CNCCNC(=O)OC(C)(C)C ZINC000307234858 351703925 /nfs/dbraw/zinc/70/39/25/351703925.db2.gz FJBWCEHPGGXEHN-VIFPVBQESA-N 1 3 231.340 0.696 10 0 BCAEHO C[C@@H](CN)C[NH2+]CCNC(=O)OC(C)(C)C ZINC000307234858 351703928 /nfs/dbraw/zinc/70/39/28/351703928.db2.gz FJBWCEHPGGXEHN-VIFPVBQESA-N 1 3 231.340 0.696 10 0 BCAEHO CC[NH2+][C@H](C)C(=O)N1C[C@H]2CCCN2C[C@H]1C ZINC000638114958 351990476 /nfs/dbraw/zinc/99/04/76/351990476.db2.gz DDRQVJVRWGUTTP-IJLUTSLNSA-N 1 3 239.363 0.680 10 0 BCAEHO CCN[C@H](C)C(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000638114958 351990480 /nfs/dbraw/zinc/99/04/80/351990480.db2.gz DDRQVJVRWGUTTP-IJLUTSLNSA-N 1 3 239.363 0.680 10 0 BCAEHO CCN[C@H](C)C(=O)N1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC000638114958 351990482 /nfs/dbraw/zinc/99/04/82/351990482.db2.gz DDRQVJVRWGUTTP-IJLUTSLNSA-N 1 3 239.363 0.680 10 0 BCAEHO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C1(N)CCC1 ZINC000251770787 353287983 /nfs/dbraw/zinc/28/79/83/353287983.db2.gz MKDZYPXIWPSGCL-QWRGUYRKSA-N 1 3 237.347 0.563 10 0 BCAEHO C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)C1(N)CCC1 ZINC000251770787 353287987 /nfs/dbraw/zinc/28/79/87/353287987.db2.gz MKDZYPXIWPSGCL-QWRGUYRKSA-N 1 3 237.347 0.563 10 0 BCAEHO Cc1cccc(NC2=NC[C@H](CC[NH3+])N2)n1 ZINC000066167126 188362383 /nfs/dbraw/zinc/36/23/83/188362383.db2.gz DAHJPOOUNOMYKL-VIFPVBQESA-N 1 3 219.292 0.479 10 0 BCAEHO CN(C)[C@@H]1CCN(C(=O)[C@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000220311878 353833362 /nfs/dbraw/zinc/83/33/62/353833362.db2.gz BTFGQEZMLFJZNK-QJPTWQEYSA-N 1 3 239.363 0.666 10 0 BCAEHO CCN1CCC[C@@H](NC(=O)[C@H](C)C[NH3+])C1 ZINC000250386541 363278072 /nfs/dbraw/zinc/27/80/72/363278072.db2.gz XQSFFKOTJFIFNF-NXEZZACHSA-N 1 3 213.325 0.182 10 0 BCAEHO COC(=O)CCN1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000397298995 491075979 /nfs/dbraw/zinc/07/59/79/491075979.db2.gz CNOQDEPHGJGAKT-VWYCJHECSA-N 1 3 228.336 0.855 10 0 BCAEHO N=C(N)c1cccc(-c2cccc(C(N)=[NH2+])n2)n1 ZINC000000005541 181195088 /nfs/dbraw/zinc/19/50/88/181195088.db2.gz UUSJIECFMYLBBU-UHFFFAOYSA-N 1 3 240.270 0.712 10 0 BCAEHO Cc1nccn1CCC[N@H+]1C[C@H](C)[C@H](N)C1 ZINC000420378375 192234184 /nfs/dbraw/zinc/23/41/84/192234184.db2.gz QKOZWEIRPUFKBU-CMPLNLGQSA-N 1 3 222.336 0.861 10 0 BCAEHO Cc1nccn1CCC[N@@H+]1C[C@H](C)[C@H](N)C1 ZINC000420378375 192234186 /nfs/dbraw/zinc/23/41/86/192234186.db2.gz QKOZWEIRPUFKBU-CMPLNLGQSA-N 1 3 222.336 0.861 10 0 BCAEHO COCCNCc1cnc(CC[NH3+])s1 ZINC000675050945 538473179 /nfs/dbraw/zinc/47/31/79/538473179.db2.gz COFUBKYIXISZDV-UHFFFAOYSA-N 1 3 215.322 0.380 10 0 BCAEHO CCC(CC)[NH2+]C[C@@]12C[C@]1(C(=O)OC)CNC2 ZINC000675073172 538505017 /nfs/dbraw/zinc/50/50/17/538505017.db2.gz GQFJRKYGHQCVOJ-QWHCGFSZSA-N 1 3 240.347 0.917 10 0 BCAEHO CCC(CC)NC[C@@]12C[C@]1(C(=O)OC)C[NH2+]C2 ZINC000675073172 538505020 /nfs/dbraw/zinc/50/50/20/538505020.db2.gz GQFJRKYGHQCVOJ-QWHCGFSZSA-N 1 3 240.347 0.917 10 0 BCAEHO [NH3+][C@H]1C=C(CCc2ccns2)CNC1 ZINC000675077654 538513992 /nfs/dbraw/zinc/51/39/92/538513992.db2.gz GXFCZAHAPUIABB-VIFPVBQESA-N 1 3 209.318 0.933 10 0 BCAEHO C[NH+](C)[C@@H]1CCCN([C@@H]2CCNC[C@H]2F)C1 ZINC000685948283 538890652 /nfs/dbraw/zinc/89/06/52/538890652.db2.gz GBGNKEKJYFQPIZ-IJLUTSLNSA-N 1 3 229.343 0.712 10 0 BCAEHO C[C@@H]1C[C@@H](N)CC[N@@H+]1CCC(C)(C)O ZINC000168967142 358001844 /nfs/dbraw/zinc/00/18/44/358001844.db2.gz NJHNTAXHQHQNKX-ZJUUUORDSA-N 1 3 200.326 0.959 10 0 BCAEHO C[C@@H]1C[C@@H](N)CC[N@H+]1CCC(C)(C)O ZINC000168967142 358001847 /nfs/dbraw/zinc/00/18/47/358001847.db2.gz NJHNTAXHQHQNKX-ZJUUUORDSA-N 1 3 200.326 0.959 10 0 BCAEHO C[NH2+]C[C@@H](C)C(=O)N1CC[C@H](N(C)C)C1 ZINC000086068958 358210023 /nfs/dbraw/zinc/21/00/23/358210023.db2.gz AKKGDXZFOSLDOG-ZJUUUORDSA-N 1 3 213.325 0.004 10 0 BCAEHO CCC[C@@H](N)C(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000044538926 358390689 /nfs/dbraw/zinc/39/06/89/358390689.db2.gz BEPOJIBMASMKHK-GHMZBOCLSA-N 1 3 227.352 0.572 10 0 BCAEHO CCC[C@@H](N)C(=O)NC[C@H]1CCC[N@@H+](C)C1 ZINC000044538926 358390692 /nfs/dbraw/zinc/39/06/92/358390692.db2.gz BEPOJIBMASMKHK-GHMZBOCLSA-N 1 3 227.352 0.572 10 0 BCAEHO CCC[C@H](C(=O)NCC[NH+](C)C)N(C)C ZINC000131937837 358701240 /nfs/dbraw/zinc/70/12/40/358701240.db2.gz OVALETZGFXKFBI-SNVBAGLBSA-N 1 3 215.341 0.395 10 0 BCAEHO C[C@H]1CNCC[C@H]1[N@H+](C)C(C)(C)CO ZINC000306154564 358940051 /nfs/dbraw/zinc/94/00/51/358940051.db2.gz BKEPVCJAHNIQFN-VHSXEESVSA-N 1 3 200.326 0.687 10 0 BCAEHO C[C@H]1CNCC[C@H]1[N@@H+](C)C(C)(C)CO ZINC000306154564 358940054 /nfs/dbraw/zinc/94/00/54/358940054.db2.gz BKEPVCJAHNIQFN-VHSXEESVSA-N 1 3 200.326 0.687 10 0 BCAEHO C[C@H]1C[NH2+]CC[C@H]1N(C)C(C)(C)CO ZINC000306154564 358940057 /nfs/dbraw/zinc/94/00/57/358940057.db2.gz BKEPVCJAHNIQFN-VHSXEESVSA-N 1 3 200.326 0.687 10 0 BCAEHO C[C@@H]1CNCC[C@H]1[N@H+](C)C(C)(C)CO ZINC000306154550 358940166 /nfs/dbraw/zinc/94/01/66/358940166.db2.gz BKEPVCJAHNIQFN-NXEZZACHSA-N 1 3 200.326 0.687 10 0 BCAEHO C[C@@H]1CNCC[C@H]1[N@@H+](C)C(C)(C)CO ZINC000306154550 358940169 /nfs/dbraw/zinc/94/01/69/358940169.db2.gz BKEPVCJAHNIQFN-NXEZZACHSA-N 1 3 200.326 0.687 10 0 BCAEHO C[C@@H]1C[NH2+]CC[C@H]1N(C)C(C)(C)CO ZINC000306154550 358940172 /nfs/dbraw/zinc/94/01/72/358940172.db2.gz BKEPVCJAHNIQFN-NXEZZACHSA-N 1 3 200.326 0.687 10 0 BCAEHO C[C@H]1CNCC[C@@H]1[N@H+](C)C(C)(C)CO ZINC000306154559 358940201 /nfs/dbraw/zinc/94/02/01/358940201.db2.gz BKEPVCJAHNIQFN-UWVGGRQHSA-N 1 3 200.326 0.687 10 0 BCAEHO C[C@H]1CNCC[C@@H]1[N@@H+](C)C(C)(C)CO ZINC000306154559 358940207 /nfs/dbraw/zinc/94/02/07/358940207.db2.gz BKEPVCJAHNIQFN-UWVGGRQHSA-N 1 3 200.326 0.687 10 0 BCAEHO C[C@H]1C[NH2+]CC[C@@H]1N(C)C(C)(C)CO ZINC000306154559 358940210 /nfs/dbraw/zinc/94/02/10/358940210.db2.gz BKEPVCJAHNIQFN-UWVGGRQHSA-N 1 3 200.326 0.687 10 0 BCAEHO C[C@H]1CN(CCC(C)(C)[NH3+])CC[C@H]1O ZINC000306187757 359003355 /nfs/dbraw/zinc/00/33/55/359003355.db2.gz FFOQMGUMAJBGSQ-VHSXEESVSA-N 1 3 200.326 0.817 10 0 BCAEHO CC(C)(C[NH3+])CN1CCC[C@@H](O)CC1 ZINC000306248584 359444899 /nfs/dbraw/zinc/44/48/99/359444899.db2.gz XHRDCYLRFKFUEB-SNVBAGLBSA-N 1 3 200.326 0.818 10 0 BCAEHO C[C@@H](N)C(C)(C)C[N@@H+]1C[C@@H](O)C[C@H]1C ZINC000306518233 360345396 /nfs/dbraw/zinc/34/53/96/360345396.db2.gz GVAZJHSQPOFVEV-BBBLOLIVSA-N 1 3 200.326 0.815 10 0 BCAEHO C[C@@H](N)C(C)(C)C[N@H+]1C[C@@H](O)C[C@H]1C ZINC000306518233 360345401 /nfs/dbraw/zinc/34/54/01/360345401.db2.gz GVAZJHSQPOFVEV-BBBLOLIVSA-N 1 3 200.326 0.815 10 0 BCAEHO C[C@@H]([NH3+])C(C)(C)CN1C[C@@H](O)C[C@H]1C ZINC000306518233 360345406 /nfs/dbraw/zinc/34/54/06/360345406.db2.gz GVAZJHSQPOFVEV-BBBLOLIVSA-N 1 3 200.326 0.815 10 0 BCAEHO C/C(=C\Cl)CN1CCC(O)(C[NH3+])CC1 ZINC000306561060 360437903 /nfs/dbraw/zinc/43/79/03/360437903.db2.gz BNOQMPFEOGKAEQ-RMKNXTFCSA-N 1 3 218.728 0.915 10 0 BCAEHO C[C@H](O)CN(C)[C@H]1CC[NH2+]CC1(C)C ZINC000300811056 360517476 /nfs/dbraw/zinc/51/74/76/360517476.db2.gz HDCUBOFKCNOEEC-UWVGGRQHSA-N 1 3 200.326 0.687 10 0 BCAEHO C[C@H](O)C[N@H+](C)[C@H]1CCNCC1(C)C ZINC000300811056 360517479 /nfs/dbraw/zinc/51/74/79/360517479.db2.gz HDCUBOFKCNOEEC-UWVGGRQHSA-N 1 3 200.326 0.687 10 0 BCAEHO C[C@H](O)C[N@@H+](C)[C@H]1CCNCC1(C)C ZINC000300811056 360517484 /nfs/dbraw/zinc/51/74/84/360517484.db2.gz HDCUBOFKCNOEEC-UWVGGRQHSA-N 1 3 200.326 0.687 10 0 BCAEHO C[C@H]1C[NH+](C[C@H](O)CN)C[C@H](C)S1 ZINC000069908430 361001592 /nfs/dbraw/zinc/00/15/92/361001592.db2.gz SEHDKMXCHCXOED-XHNCKOQMSA-N 1 3 204.339 0.132 10 0 BCAEHO CN1CCOC[C@H]1CN[C@@H]1CCC[NH2+]CC1 ZINC000629532780 361154360 /nfs/dbraw/zinc/15/43/60/361154360.db2.gz RRBMUXGYYPFYFK-VXGBXAGGSA-N 1 3 227.352 0.049 10 0 BCAEHO C1CC1[C@@H]1C[C@H]([NH2+]C2CCNCC2)CO1 ZINC000629550010 361442526 /nfs/dbraw/zinc/44/25/26/361442526.db2.gz VZNOJZBRWHWMFQ-RYUDHWBXSA-N 1 3 210.321 0.896 10 0 BCAEHO [NH3+][C@H]1C[C@@H](C(=O)N2CCN3CCC[C@H]3C2)C1 ZINC000574758971 365136669 /nfs/dbraw/zinc/13/66/69/365136669.db2.gz FTWOWQKZICZVIG-AXFHLTTASA-N 1 3 223.320 0.030 10 0 BCAEHO OC[C@@H]1C[C@H]1NC1CC[NH+](CC2CC2)CC1 ZINC000382192993 541513054 /nfs/dbraw/zinc/51/30/54/541513054.db2.gz CPYKKWVSFHWDSX-WCQYABFASA-N 1 3 224.348 0.831 10 0 BCAEHO CC(C)CN1CCN(C[C@@H]2CC[NH2+]2)CC1 ZINC000384821508 541515913 /nfs/dbraw/zinc/51/59/13/541515913.db2.gz QJXQPSQZKSUBJH-LBPRGKRZSA-N 1 3 211.353 0.622 10 0 BCAEHO CCC[C@@H](N)C(=O)NC1(C)CC[NH2+]CC1 ZINC000193362755 367171156 /nfs/dbraw/zinc/17/11/56/367171156.db2.gz UOOUAQYLECMHOR-SECBINFHSA-N 1 3 213.325 0.372 10 0 BCAEHO CN(C)C(=O)CCNC[C@@H]1CCC[NH2+]C1 ZINC000087646713 367948320 /nfs/dbraw/zinc/94/83/20/367948320.db2.gz SCGWHVZVTIXLIY-SNVBAGLBSA-N 1 3 213.325 0.054 10 0 BCAEHO CN(C)C(=O)CC[NH2+]C[C@@H]1CCCNC1 ZINC000087646713 367948326 /nfs/dbraw/zinc/94/83/26/367948326.db2.gz SCGWHVZVTIXLIY-SNVBAGLBSA-N 1 3 213.325 0.054 10 0 BCAEHO O[C@@H]1COCC[C@@H]1N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000623766630 369029643 /nfs/dbraw/zinc/02/96/43/369029643.db2.gz JLUAMZFODFUSIP-FVCCEPFGSA-N 1 3 240.347 0.353 10 0 BCAEHO O[C@@H]1COCC[C@@H]1N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000623766630 369029646 /nfs/dbraw/zinc/02/96/46/369029646.db2.gz JLUAMZFODFUSIP-FVCCEPFGSA-N 1 3 240.347 0.353 10 0 BCAEHO COC(=O)CCN1CCC[C@@H](C)[C@H]1CC[NH3+] ZINC000404427847 369428855 /nfs/dbraw/zinc/42/88/55/369428855.db2.gz MVQPTKPUMXCTKJ-GHMZBOCLSA-N 1 3 228.336 0.999 10 0 BCAEHO COC(=O)CC[N@@H+]1CCC[C@@H](C)[C@H]1CCN ZINC000404427847 369428863 /nfs/dbraw/zinc/42/88/63/369428863.db2.gz MVQPTKPUMXCTKJ-GHMZBOCLSA-N 1 3 228.336 0.999 10 0 BCAEHO COC(=O)CC[N@H+]1CCC[C@@H](C)[C@H]1CCN ZINC000404427847 369428867 /nfs/dbraw/zinc/42/88/67/369428867.db2.gz MVQPTKPUMXCTKJ-GHMZBOCLSA-N 1 3 228.336 0.999 10 0 BCAEHO CC(C)[NH+]1CCC(N[C@@H]2CCOC[C@@H]2O)CC1 ZINC000624235152 371423000 /nfs/dbraw/zinc/42/30/00/371423000.db2.gz FOTXPWFOYJQWMZ-OLZOCXBDSA-N 1 3 242.363 0.599 10 0 BCAEHO [NH3+][C@@H]1COC[C@H]1CN1CCCSCC1 ZINC000227617322 371905334 /nfs/dbraw/zinc/90/53/34/371905334.db2.gz VYOPFWFLASGBSZ-NXEZZACHSA-N 1 3 216.350 0.399 10 0 BCAEHO C[C@@H]1CN(CCN2CCCC2=O)C[C@@H]1C[NH3+] ZINC000631841948 372639974 /nfs/dbraw/zinc/63/99/74/372639974.db2.gz SFFKLXWWAHLKHB-MNOVXSKESA-N 1 3 225.336 0.135 10 0 BCAEHO CC(C)OCCN1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000631844404 372642880 /nfs/dbraw/zinc/64/28/80/372642880.db2.gz XCUCKIVBIPXZDK-QWRGUYRKSA-N 1 3 200.326 0.938 10 0 BCAEHO C[C@H]1CCC[C@H](C[NH3+])N1CC(C)(C)O ZINC000069722909 373653049 /nfs/dbraw/zinc/65/30/49/373653049.db2.gz ODRGMKGGYRTEKX-VHSXEESVSA-N 1 3 200.326 0.959 10 0 BCAEHO CC(C)C[C@@H](CO)NC[C@@H](O)C[NH+]1CCCC1 ZINC000040777179 373700784 /nfs/dbraw/zinc/70/07/84/373700784.db2.gz XUVMWHQJWOGKEC-QWHCGFSZSA-N 1 3 244.379 0.440 10 0 BCAEHO OC1(CN2CCO[C@@H]3CCC[C@@H]32)CC[NH2+]CC1 ZINC000051016351 183019514 /nfs/dbraw/zinc/01/95/14/183019514.db2.gz SKPCDHBVKIZULE-NWDGAFQWSA-N 1 3 240.347 0.354 10 0 BCAEHO OCCOC1CCN(C[C@H]2CCC[NH2+]C2)CC1 ZINC000129980098 183082127 /nfs/dbraw/zinc/08/21/27/183082127.db2.gz NSJZAYUVFHTXHT-LBPRGKRZSA-N 1 3 242.363 0.459 10 0 BCAEHO OCCOC1CC[NH+](C[C@H]2CCCNC2)CC1 ZINC000129980098 183082130 /nfs/dbraw/zinc/08/21/30/183082130.db2.gz NSJZAYUVFHTXHT-LBPRGKRZSA-N 1 3 242.363 0.459 10 0 BCAEHO OCC[C@H]1CC[N@H+](C[C@H]2CCCNC2)C1 ZINC000162335167 183099261 /nfs/dbraw/zinc/09/92/61/183099261.db2.gz KNYRZUGNPOQOBZ-NEPJUHHUSA-N 1 3 212.337 0.690 10 0 BCAEHO OCC[C@H]1CC[N@@H+](C[C@H]2CCCNC2)C1 ZINC000162335167 183099263 /nfs/dbraw/zinc/09/92/63/183099263.db2.gz KNYRZUGNPOQOBZ-NEPJUHHUSA-N 1 3 212.337 0.690 10 0 BCAEHO OCC[C@H]1CCN(C[C@H]2CCC[NH2+]C2)C1 ZINC000162335167 183099264 /nfs/dbraw/zinc/09/92/64/183099264.db2.gz KNYRZUGNPOQOBZ-NEPJUHHUSA-N 1 3 212.337 0.690 10 0 BCAEHO OC[C@H](C1CCCC1)N1CCC[NH2+]CC1 ZINC000050272996 183136587 /nfs/dbraw/zinc/13/65/87/183136587.db2.gz KRKRHKIIGZHTED-GFCCVEGCSA-N 1 3 212.337 0.833 10 0 BCAEHO c1ccc(C2=[NH+]CCN2)c(C2=NCCN2)c1 ZINC000001646753 183389501 /nfs/dbraw/zinc/38/95/01/183389501.db2.gz GJWAFOARYRURQN-UHFFFAOYSA-N 1 3 214.272 0.386 10 0 BCAEHO CCC[NH2+]C[C@H](O)CN1CCN(C(C)C)CC1 ZINC000036170864 169263305 /nfs/dbraw/zinc/26/33/05/169263305.db2.gz FKPULXUPWOSKAT-ZDUSSCGKSA-N 1 3 243.395 0.373 10 0 BCAEHO CCC[NH2+][C@@H]1CCN(C2CCN(C)CC2)C1=O ZINC000049648123 169281819 /nfs/dbraw/zinc/28/18/19/169281819.db2.gz KIYRQPYDWPLNEC-GFCCVEGCSA-N 1 3 239.363 0.681 10 0 BCAEHO CCC[C@@H](N)C(=O)N1CCCC[C@H]1C[NH3+] ZINC000236904487 169387921 /nfs/dbraw/zinc/38/79/21/169387921.db2.gz KPFCKXWBZCICJS-VHSXEESVSA-N 1 3 213.325 0.454 10 0 BCAEHO CCC[C@@H](N)C(=O)NCC[NH2+]C(C)(C)C ZINC000182267476 169389889 /nfs/dbraw/zinc/38/98/89/169389889.db2.gz WHUSCTOTOAPLDB-SECBINFHSA-N 1 3 215.341 0.618 10 0 BCAEHO CCC[C@@H](N)C(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000236948464 169389954 /nfs/dbraw/zinc/38/99/54/169389954.db2.gz DSHXLOITVURUDC-GHMZBOCLSA-N 1 3 227.352 0.620 10 0 BCAEHO CCC[C@@H](N)C(=O)NCC(C)(C)C[NH+](C)C ZINC000036872701 169389025 /nfs/dbraw/zinc/38/90/25/169389025.db2.gz BSDKZIMQHMXCOQ-SNVBAGLBSA-N 1 3 229.368 0.818 10 0 BCAEHO COC(=O)CCN1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000070534450 383935279 /nfs/dbraw/zinc/93/52/79/383935279.db2.gz XJSHNLRNDCIBPB-VHSXEESVSA-N 1 3 214.309 0.609 10 0 BCAEHO C[C@@H](N)C(=O)N1CCC2(C1)CCC(C[NH3+])CC2 ZINC000095088831 384361628 /nfs/dbraw/zinc/36/16/28/384361628.db2.gz SNZZVNYVPBZNKT-XSRFYTQQSA-N 1 3 239.363 0.701 10 0 BCAEHO CC(C)[C@@H](CO)C[NH2+][C@H]1CCCNCC1 ZINC000394045253 384395072 /nfs/dbraw/zinc/39/50/72/384395072.db2.gz LZTALUAWGVXKBZ-NEPJUHHUSA-N 1 3 214.353 0.983 10 0 BCAEHO CC(C)[C@@H](CO)CN[C@H]1CCC[NH2+]CC1 ZINC000394045253 384395076 /nfs/dbraw/zinc/39/50/76/384395076.db2.gz LZTALUAWGVXKBZ-NEPJUHHUSA-N 1 3 214.353 0.983 10 0 BCAEHO CCN1CCC[C@H](NC(=O)CC[NH2+]C(C)C)C1 ZINC000040503680 384578454 /nfs/dbraw/zinc/57/84/54/384578454.db2.gz SZVWRUFFBFBTHI-LBPRGKRZSA-N 1 3 241.379 0.975 10 0 BCAEHO C[NH+](C)CCCOc1cnccc1CN ZINC000162467638 384626430 /nfs/dbraw/zinc/62/64/30/384626430.db2.gz UTVASXIULPHJHS-UHFFFAOYSA-N 1 3 209.293 0.871 10 0 BCAEHO C[C@@H]1CN2CCCC[C@@H]2CN1CCC[NH3+] ZINC000086930187 384722259 /nfs/dbraw/zinc/72/22/59/384722259.db2.gz AOFOYTMAOFSNAJ-VXGBXAGGSA-N 1 3 211.353 0.894 10 0 BCAEHO CCN1CCC[C@@H]1CN(C)C(=O)[C@@H](C)[C@@H](C)[NH3+] ZINC000156980973 385031126 /nfs/dbraw/zinc/03/11/26/385031126.db2.gz OYBDNQWGXVSUFJ-QJPTWQEYSA-N 1 3 241.379 0.912 10 0 BCAEHO CC1(C)[C@H]([NH2+]CC2(O)CCOCC2)C[C@@H]1N ZINC000405307106 385467951 /nfs/dbraw/zinc/46/79/51/385467951.db2.gz LIDVHXNNJOLMJW-VHSXEESVSA-N 1 3 228.336 0.243 10 0 BCAEHO CN[C@H](C)C(=O)NCC1CC[NH+](C)CC1 ZINC000054076738 385595177 /nfs/dbraw/zinc/59/51/77/385595177.db2.gz QZRZINYWWWYNHW-SECBINFHSA-N 1 3 213.325 0.052 10 0 BCAEHO CCC[C@H](CC)NC[C@@H]1C[NH2+]C[C@@H]1O ZINC000336650961 385614895 /nfs/dbraw/zinc/61/48/95/385614895.db2.gz RSTDMBXKIRQKLB-DCAQKATOSA-N 1 3 200.326 0.735 10 0 BCAEHO CCC[C@H](CC)[NH2+]C[C@@H]1CNC[C@@H]1O ZINC000336650961 385614899 /nfs/dbraw/zinc/61/48/99/385614899.db2.gz RSTDMBXKIRQKLB-DCAQKATOSA-N 1 3 200.326 0.735 10 0 BCAEHO C[C@H](CCC1CC1)NC[C@H]1C[NH2+]C[C@@H]1O ZINC000309502506 385639641 /nfs/dbraw/zinc/63/96/41/385639641.db2.gz MBTFMFLUGDPIFO-JLLWLGSASA-N 1 3 212.337 0.735 10 0 BCAEHO C[C@H](CCC1CC1)NC[C@H]1C[NH2+]C[C@H]1O ZINC000309502508 385640441 /nfs/dbraw/zinc/64/04/41/385640441.db2.gz MBTFMFLUGDPIFO-YUSALJHKSA-N 1 3 212.337 0.735 10 0 BCAEHO CN1CCC[C@H]([NH2+][C@H]2CCCC[C@H]2N)C1 ZINC000259130866 385654051 /nfs/dbraw/zinc/65/40/51/385654051.db2.gz UEFMNCCKSHXUJS-TUAOUCFPSA-N 1 3 211.353 0.940 10 0 BCAEHO CN1CCC[C@H](N[C@H]2CCCC[C@H]2[NH3+])C1 ZINC000259130866 385654056 /nfs/dbraw/zinc/65/40/56/385654056.db2.gz UEFMNCCKSHXUJS-TUAOUCFPSA-N 1 3 211.353 0.940 10 0 BCAEHO [NH3+][C@H]1CC=C(C(=O)N2CCN3CCC[C@@H]3C2)C1 ZINC000638109925 385842317 /nfs/dbraw/zinc/84/23/17/385842317.db2.gz ZPQJLUKCMOMFBB-NWDGAFQWSA-N 1 3 235.331 0.341 10 0 BCAEHO C[NH+](C)[C@@H]1CCN(C(=O)C(N)C(F)(F)F)C1 ZINC000335053493 385951229 /nfs/dbraw/zinc/95/12/29/385951229.db2.gz XKLAVGRCGOPSJW-RQJHMYQMSA-N 1 3 239.241 0.039 10 0 BCAEHO [NH3+][C@H]1CC[C@@H](C(=O)NCCN2CCCCC2)C1 ZINC000091546019 386300096 /nfs/dbraw/zinc/30/00/96/386300096.db2.gz KIXRQVAFBXJEPT-NEPJUHHUSA-N 1 3 239.363 0.716 10 0 BCAEHO CCC[C@@](C)(N)C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000062972446 386534803 /nfs/dbraw/zinc/53/48/03/386534803.db2.gz SDJXCCYVRHQIHF-ZYHUDNBSSA-N 1 3 227.352 0.666 10 0 BCAEHO COC[C@H](N[C@@H](C)[C@H]1CC[NH2+]C1)C1CC1 ZINC000400430352 387154876 /nfs/dbraw/zinc/15/48/76/387154876.db2.gz ZYPXVRMBPCERNO-DLOVCJGASA-N 1 3 212.337 0.999 10 0 BCAEHO CN(C)[C@H]1CCN(C(=O)C[C@@H]2CCC[NH2+]2)C1 ZINC000062972108 387190372 /nfs/dbraw/zinc/19/03/72/387190372.db2.gz JHYOYKGRFFTHKB-QWRGUYRKSA-N 1 3 225.336 0.291 10 0 BCAEHO CN(C)[C@@H]1CCN(C(=O)C[C@@H]2CCC[NH2+]2)C1 ZINC000062972107 387190439 /nfs/dbraw/zinc/19/04/39/387190439.db2.gz JHYOYKGRFFTHKB-WDEREUQCSA-N 1 3 225.336 0.291 10 0 BCAEHO CCCNC(=O)CCN[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000643454477 387384932 /nfs/dbraw/zinc/38/49/32/387384932.db2.gz BSRLEIUVIPIOHM-VXGBXAGGSA-N 1 3 241.379 0.880 10 0 BCAEHO CC(C)[C@H](C(=O)N1CC[C@@H](N(C)C)C1)[C@H](C)[NH3+] ZINC000399655498 387562394 /nfs/dbraw/zinc/56/23/94/387562394.db2.gz OGPPEWVJGKDXKY-TUAOUCFPSA-N 1 3 241.379 0.768 10 0 BCAEHO CSCC[C@H](N)C(=O)N[C@H]1CCC[NH2+][C@@H]1C ZINC000193500144 388361808 /nfs/dbraw/zinc/36/18/08/388361808.db2.gz FOLMXAFBLYJHON-UTLUCORTSA-N 1 3 245.392 0.324 10 0 BCAEHO CCC[C@H](N)C(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000236802442 388383490 /nfs/dbraw/zinc/38/34/90/388383490.db2.gz VNDFJKPSSAIIAO-UWVGGRQHSA-N 1 3 213.325 0.311 10 0 BCAEHO C[C@]1(C(=O)N2CCN3CCC[C@@H]3C2)CCC[NH2+]1 ZINC000079517447 388538091 /nfs/dbraw/zinc/53/80/91/388538091.db2.gz PSIFQVKECNDDPM-DGCLKSJQSA-N 1 3 237.347 0.435 10 0 BCAEHO C[C@@H](O)C(C)(C)[NH2+]C[C@H]1CCCNC1 ZINC000220391054 388605086 /nfs/dbraw/zinc/60/50/86/388605086.db2.gz KIZXPHFFPWRYLX-ZJUUUORDSA-N 1 3 200.326 0.735 10 0 BCAEHO C[C@@H](O)C(C)(C)NC[C@H]1CCC[NH2+]C1 ZINC000220391054 388605089 /nfs/dbraw/zinc/60/50/89/388605089.db2.gz KIZXPHFFPWRYLX-ZJUUUORDSA-N 1 3 200.326 0.735 10 0 BCAEHO CCC[C@H](C(=O)NC[C@H]1CC[N@H+](C)C1)N(C)C ZINC000137568316 388562930 /nfs/dbraw/zinc/56/29/30/388562930.db2.gz LFQOZXZIMDTQGN-VXGBXAGGSA-N 1 3 241.379 0.785 10 0 BCAEHO CCC[C@H](C(=O)NC[C@H]1CC[N@@H+](C)C1)N(C)C ZINC000137568316 388562933 /nfs/dbraw/zinc/56/29/33/388562933.db2.gz LFQOZXZIMDTQGN-VXGBXAGGSA-N 1 3 241.379 0.785 10 0 BCAEHO C[C@H]([NH3+])CN1C[C@@H]2CCCCN2C[C@@H]1C ZINC000225952542 388694022 /nfs/dbraw/zinc/69/40/22/388694022.db2.gz MHYGERVDOAWTJG-SRVKXCTJSA-N 1 3 211.353 0.892 10 0 BCAEHO Cc1c[nH+]ccc1NC[C@@H]1CNCCO1 ZINC000227786670 388758486 /nfs/dbraw/zinc/75/84/86/388758486.db2.gz CCYDFJJICXRTOC-JTQLQIEISA-N 1 3 207.277 0.790 10 0 BCAEHO NC(=O)CC[NH2+]C1CCN(c2ccncc2)CC1 ZINC000036746788 132342529 /nfs/dbraw/zinc/34/25/29/132342529.db2.gz BEBRLXZMGQFODM-UHFFFAOYSA-N 1 3 248.330 0.515 10 0 BCAEHO C[C@H](C[NH3+])CN1CCN(c2ccncc2)CC1 ZINC000037039507 132343322 /nfs/dbraw/zinc/34/33/22/132343322.db2.gz QKFREADXOPDWHL-GFCCVEGCSA-N 1 3 234.347 0.798 10 0 BCAEHO NC(=[NH2+])CCCN1CCN(c2ccccn2)CC1 ZINC000038986347 132346362 /nfs/dbraw/zinc/34/63/62/132346362.db2.gz NPHBHFMMFGHCET-UHFFFAOYSA-N 1 3 247.346 0.920 10 0 BCAEHO [NH3+][C@@H]1CC[C@@H](C(=O)NCCN2CCCC2)C1 ZINC000085010220 134220965 /nfs/dbraw/zinc/22/09/65/134220965.db2.gz VUDLTDDOSIBJBI-GHMZBOCLSA-N 1 3 225.336 0.326 10 0 BCAEHO CN(CCNC(=O)[C@H]1CC[C@H]([NH3+])C1)C1CC1 ZINC000085012942 134221064 /nfs/dbraw/zinc/22/10/64/134221064.db2.gz OZRHZZTZRBUMRX-UWVGGRQHSA-N 1 3 225.336 0.324 10 0 BCAEHO CCC[C@@H](N)C(=O)N(CCC)[C@H]1CC[NH2+]C1 ZINC000178408134 134310064 /nfs/dbraw/zinc/31/00/64/134310064.db2.gz RUUSKMVQMLKYSX-WDEREUQCSA-N 1 3 227.352 0.714 10 0 BCAEHO C[C@H](O)CC[NH2+][C@@H]1CCCC[C@H]1CN ZINC000251212355 135066289 /nfs/dbraw/zinc/06/62/89/135066289.db2.gz MRFLDEWKKQTHPS-GARJFASQSA-N 1 3 200.326 0.864 10 0 BCAEHO C[C@H](CN1CCCCC1)N[C@H]1CC[NH2+]C1 ZINC000086727936 135094841 /nfs/dbraw/zinc/09/48/41/135094841.db2.gz OCJJTCKAHCOGET-NEPJUHHUSA-N 1 3 211.353 0.812 10 0 BCAEHO CN(CC1CC(O)C1)C[C@H]1CCC[NH2+]C1 ZINC000087647888 135161124 /nfs/dbraw/zinc/16/11/24/135161124.db2.gz NKYBONHDVHIYFO-UNXYVOJBSA-N 1 3 212.337 0.689 10 0 BCAEHO C[N@H+](CC1CC(O)C1)C[C@H]1CCCNC1 ZINC000087647888 135161126 /nfs/dbraw/zinc/16/11/26/135161126.db2.gz NKYBONHDVHIYFO-UNXYVOJBSA-N 1 3 212.337 0.689 10 0 BCAEHO C[N@@H+](CC1CC(O)C1)C[C@H]1CCCNC1 ZINC000087647888 135161127 /nfs/dbraw/zinc/16/11/27/135161127.db2.gz NKYBONHDVHIYFO-UNXYVOJBSA-N 1 3 212.337 0.689 10 0 BCAEHO C[NH2+][C@@H](C)CNC(=O)[C@@H](N)CC(C)C ZINC000261537836 135175021 /nfs/dbraw/zinc/17/50/21/135175021.db2.gz WKCSHQZPYPFRLE-IUCAKERBSA-N 1 3 201.314 0.084 10 0 BCAEHO OC[C@@H]1C[C@H](F)CN1CC1CC[NH2+]CC1 ZINC000261542063 135182642 /nfs/dbraw/zinc/18/26/42/135182642.db2.gz GLUUTHWRLKSJGJ-QWRGUYRKSA-N 1 3 216.300 0.391 10 0 BCAEHO CN(CCNC(=O)CC[C@H]1CCC[NH2+]1)C1CC1 ZINC000261542686 135183083 /nfs/dbraw/zinc/18/30/83/135183083.db2.gz CGZFYHPLFPREKS-LLVKDONJSA-N 1 3 239.363 0.729 10 0 BCAEHO O[C@@H]1C[NH2+]C[C@H]1CNCC1CCCCC1 ZINC000261544801 135186344 /nfs/dbraw/zinc/18/63/44/135186344.db2.gz JCNMDUAWZGKIHN-VXGBXAGGSA-N 1 3 212.337 0.737 10 0 BCAEHO O[C@@H]1CNC[C@H]1C[NH2+]CC1CCCCC1 ZINC000261544801 135186346 /nfs/dbraw/zinc/18/63/46/135186346.db2.gz JCNMDUAWZGKIHN-VXGBXAGGSA-N 1 3 212.337 0.737 10 0 BCAEHO Cn1cc(CCN2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cn1 ZINC000261549924 135189325 /nfs/dbraw/zinc/18/93/25/135189325.db2.gz LANMXQHOQSIPSJ-AVGNSLFASA-N 1 3 234.347 0.632 10 0 BCAEHO CCCC[C@H](C[NH3+])NC(=O)[C@@H](N)CCC ZINC000261552323 135191138 /nfs/dbraw/zinc/19/11/38/135191138.db2.gz RCBOIUVMCHBFSY-ZJUUUORDSA-N 1 3 215.341 0.748 10 0 BCAEHO CC1(C)CC[C@H](NC[C@@H]2C[NH2+]C[C@H]2O)C1 ZINC000261552629 135192370 /nfs/dbraw/zinc/19/23/70/135192370.db2.gz RPVXMTMQMQLGPN-GARJFASQSA-N 1 3 212.337 0.735 10 0 BCAEHO CC1(C)CC[C@H]([NH2+]C[C@@H]2CNC[C@H]2O)C1 ZINC000261552629 135192371 /nfs/dbraw/zinc/19/23/71/135192371.db2.gz RPVXMTMQMQLGPN-GARJFASQSA-N 1 3 212.337 0.735 10 0 BCAEHO CCC[C@H]([NH3+])C(=O)N1CCN[C@@H](C)[C@H]1C ZINC000261554496 135194619 /nfs/dbraw/zinc/19/46/19/135194619.db2.gz UHKVXWBENFWRRX-AEJSXWLSSA-N 1 3 213.325 0.323 10 0 BCAEHO C[C@H](CC(=O)N(C)C)[NH2+][C@@H]1CCCC[C@H]1CN ZINC000261555872 135196103 /nfs/dbraw/zinc/19/61/03/135196103.db2.gz QEZZSBKJEFYBRO-GRYCIOLGSA-N 1 3 241.379 0.960 10 0 BCAEHO C[C@H](CC(=O)N(C)C)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000261555872 135196104 /nfs/dbraw/zinc/19/61/04/135196104.db2.gz QEZZSBKJEFYBRO-GRYCIOLGSA-N 1 3 241.379 0.960 10 0 BCAEHO COC(=O)CCN1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000163807526 135208094 /nfs/dbraw/zinc/20/80/94/135208094.db2.gz GNXUJJRGRMOLOV-ZJUUUORDSA-N 1 3 214.309 0.466 10 0 BCAEHO CCN(C)CCNC(=O)C[C@H]1CC[NH2+]C1 ZINC000084383163 135216239 /nfs/dbraw/zinc/21/62/39/135216239.db2.gz NLDYEOZGJCDWJR-SNVBAGLBSA-N 1 3 213.325 0.054 10 0 BCAEHO C[C@@H]1[C@H]([NH3+])CCN1C(=O)C1(N)CCCC1 ZINC000261585774 135227132 /nfs/dbraw/zinc/22/71/32/135227132.db2.gz QPMRZWAYMBQAPF-RKDXNWHRSA-N 1 3 211.309 0.206 10 0 BCAEHO [NH3+][C@@H]1CC[C@H]2CN(CCn3cccn3)C[C@H]12 ZINC000261596346 135235735 /nfs/dbraw/zinc/23/57/35/135235735.db2.gz YSTCXAHQPZTVRL-SDDRHHMPSA-N 1 3 220.320 0.552 10 0 BCAEHO C[C@H](N)C(=O)NC[C@H]1[NH2+]CCCC1(C)C ZINC000261547563 135240493 /nfs/dbraw/zinc/24/04/93/135240493.db2.gz MLXCNHDGTGHAPQ-DTWKUNHWSA-N 1 3 213.325 0.228 10 0 BCAEHO c1ncc2c(n1)CN(CC1CC[NH2+]CC1)CC2 ZINC000261678688 135244834 /nfs/dbraw/zinc/24/48/34/135244834.db2.gz IEIHFHWXDBWTAM-UHFFFAOYSA-N 1 3 232.331 0.834 10 0 BCAEHO CC[C@H](N)C(=O)N1CC[C@H](C)C[C@H]1C[NH3+] ZINC000261761731 135251025 /nfs/dbraw/zinc/25/10/25/135251025.db2.gz JTTICXYMTBGYGD-GUBZILKMSA-N 1 3 213.325 0.310 10 0 BCAEHO C[C@H]1NCCN(C(=O)[C@@H]2CCC[C@@H]2C[NH3+])[C@H]1C ZINC000261805847 135254668 /nfs/dbraw/zinc/25/46/68/135254668.db2.gz MYZPKGSIKPQSKM-WRWGMCAJSA-N 1 3 239.363 0.570 10 0 BCAEHO C[C@@H]1CN(C(=O)[C@@H]2CCC[C@@H]2C[NH3+])[C@H](C)CN1 ZINC000261882834 135259989 /nfs/dbraw/zinc/25/99/89/135259989.db2.gz UIBMRWMUPZDSCG-DDHJBXDOSA-N 1 3 239.363 0.570 10 0 BCAEHO C[C@@H]1CN(C(=O)[C@@H]2CCC[C@@H]2C[NH3+])[C@@H](C)CN1 ZINC000261882839 135260062 /nfs/dbraw/zinc/26/00/62/135260062.db2.gz UIBMRWMUPZDSCG-WRWGMCAJSA-N 1 3 239.363 0.570 10 0 BCAEHO CC(C)N(C)CC(=O)N1CC[C@H](C)C[C@@H]1C[NH3+] ZINC000261919916 135262567 /nfs/dbraw/zinc/26/25/67/135262567.db2.gz YSKBTRXAVGQSMV-NWDGAFQWSA-N 1 3 241.379 0.912 10 0 BCAEHO CCC[C@@H](N)C(=O)NCC[N@@H+]1CCC[C@H](C)C1 ZINC000262110425 135279846 /nfs/dbraw/zinc/27/98/46/135279846.db2.gz GXKSXNBTHMELBS-NWDGAFQWSA-N 1 3 241.379 0.962 10 0 BCAEHO CCC[C@@H](N)C(=O)NCC[N@H+]1CCC[C@H](C)C1 ZINC000262110425 135279847 /nfs/dbraw/zinc/27/98/47/135279847.db2.gz GXKSXNBTHMELBS-NWDGAFQWSA-N 1 3 241.379 0.962 10 0 BCAEHO C[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CNC[C@@H]2O)[C@@H]1C ZINC000262156596 135282889 /nfs/dbraw/zinc/28/28/89/135282889.db2.gz RZUYNXXAAASQLL-BNDIWNMDSA-N 1 3 226.364 0.981 10 0 BCAEHO C[C@H]1C[C@@H](C(=O)N2CC[C@H](N(C)C)C2)CC[NH2+]1 ZINC000262326589 135292970 /nfs/dbraw/zinc/29/29/70/135292970.db2.gz DKHFRUGCQOEEMI-SRVKXCTJSA-N 1 3 239.363 0.537 10 0 BCAEHO NC1(C(=O)N[C@H]2CCC[C@H]2C[NH3+])CCCCC1 ZINC000262431582 135297100 /nfs/dbraw/zinc/29/71/00/135297100.db2.gz JUTXOBGJFIBXOQ-QWRGUYRKSA-N 1 3 239.363 0.892 10 0 BCAEHO CCC[C@](C)(N)C(=O)N[C@@H]1CCC[C@H]1C[NH3+] ZINC000262629838 135309716 /nfs/dbraw/zinc/30/97/16/135309716.db2.gz NFEPQEIIGYTBSR-UMNHJUIQSA-N 1 3 227.352 0.748 10 0 BCAEHO C[C@@H](CNC(=O)C1C[NH2+]C1)N1CCC[C@H](C)C1 ZINC000263260215 135343806 /nfs/dbraw/zinc/34/38/06/135343806.db2.gz GFDGARKWMPDBSB-QWRGUYRKSA-N 1 3 239.363 0.442 10 0 BCAEHO CNC(=O)C[NH2+][C@H](C)[C@H]1CCCN(C)C1 ZINC000037224641 173278146 /nfs/dbraw/zinc/27/81/46/173278146.db2.gz ZMPNSWAFDMOSMO-ZJUUUORDSA-N 1 3 213.325 0.052 10 0 BCAEHO CC(C)OCCN1CCCN(CCC[NH3+])CC1 ZINC000049259244 167232200 /nfs/dbraw/zinc/23/22/00/167232200.db2.gz MIQIBEMUUHRKHC-UHFFFAOYSA-N 1 3 243.395 0.768 10 0 BCAEHO CCN1CC[C@H](N2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)C1=O ZINC000662265798 409560775 /nfs/dbraw/zinc/56/07/75/409560775.db2.gz IOOSESDSIFEJSY-YFKTTZPYSA-N 1 3 237.347 0.276 10 0 BCAEHO COC[C@H](CN(C)[C@H]1CCC[NH2+]CC1)OC ZINC000662267612 409568355 /nfs/dbraw/zinc/56/83/55/409568355.db2.gz WEPRMGCSBWYIHA-RYUDHWBXSA-N 1 3 230.352 0.722 10 0 BCAEHO COC[C@H](CN(C)[C@@H]1CCC[NH2+]CC1)OC ZINC000662267610 409570494 /nfs/dbraw/zinc/57/04/94/409570494.db2.gz WEPRMGCSBWYIHA-NEPJUHHUSA-N 1 3 230.352 0.722 10 0 BCAEHO CC(C)[C@@H]([NH3+])CC(=O)N1CCCNCC1 ZINC000128920149 410083844 /nfs/dbraw/zinc/08/38/44/410083844.db2.gz OTPYJRIAZWPRHV-JTQLQIEISA-N 1 3 213.325 0.182 10 0 BCAEHO CC[C@H](C)[C@@H](N)C(=O)NCC[C@@H](C)[NH3+] ZINC000308976549 410192040 /nfs/dbraw/zinc/19/20/40/410192040.db2.gz GTUYSUUHKNRYKI-DJLDLDEBSA-N 1 3 201.314 0.213 10 0 BCAEHO C[C@H](N[C@@H](CO)C1CCC1)[C@H]1CC[NH2+]C1 ZINC000665234942 410726228 /nfs/dbraw/zinc/72/62/28/410726228.db2.gz MPBBBMRORQGBNK-DLOVCJGASA-N 1 3 212.337 0.735 10 0 BCAEHO C[C@H](N[C@H](CO)C1CCC1)[C@H]1CC[NH2+]C1 ZINC000665234945 410726928 /nfs/dbraw/zinc/72/69/28/410726928.db2.gz MPBBBMRORQGBNK-ZMLRMANQSA-N 1 3 212.337 0.735 10 0 BCAEHO CN1CCC[C@H](NC(=O)C2CCC([NH3+])CC2)C1 ZINC000040673655 410883019 /nfs/dbraw/zinc/88/30/19/410883019.db2.gz DPDJHYZWLALFHX-MCIGGMRASA-N 1 3 239.363 0.714 10 0 BCAEHO CC(C)[C@@H]([NH3+])CC(=O)N1CC[C@H](N(C)C)C1 ZINC000129053096 411216750 /nfs/dbraw/zinc/21/67/50/411216750.db2.gz KQOZGVYHCXIHRG-QWRGUYRKSA-N 1 3 227.352 0.522 10 0 BCAEHO CC[C@@H](N)C(=O)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000309812878 411258652 /nfs/dbraw/zinc/25/86/52/411258652.db2.gz UPYZJKCZPIUGQW-URJDPWSZSA-N 1 3 211.309 0.123 10 0 BCAEHO CC[C@@H](C)[C@@H](N)C(=O)NCCC[NH2+]C ZINC000121567082 411413869 /nfs/dbraw/zinc/41/38/69/411413869.db2.gz JDEVCILUNZKCID-RKDXNWHRSA-N 1 3 201.314 0.086 10 0 BCAEHO CCN1CC[C@@H](C[NH2+][C@@H]2CCN(C)C2)C1 ZINC000061988912 170010276 /nfs/dbraw/zinc/01/02/76/170010276.db2.gz UNFJEPZWVVSKHQ-NWDGAFQWSA-N 1 3 211.353 0.622 10 0 BCAEHO CC[N@@H+]1CC[C@@H](CN[C@@H]2CCN(C)C2)C1 ZINC000061988912 170010278 /nfs/dbraw/zinc/01/02/78/170010278.db2.gz UNFJEPZWVVSKHQ-NWDGAFQWSA-N 1 3 211.353 0.622 10 0 BCAEHO CC[N@H+]1CC[C@@H](CN[C@@H]2CCN(C)C2)C1 ZINC000061988912 170010279 /nfs/dbraw/zinc/01/02/79/170010279.db2.gz UNFJEPZWVVSKHQ-NWDGAFQWSA-N 1 3 211.353 0.622 10 0 BCAEHO CC(C)C[C@@H](N)C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000130095335 411540704 /nfs/dbraw/zinc/54/07/04/411540704.db2.gz UENIESDXHFWBSB-NWDGAFQWSA-N 1 3 239.363 0.666 10 0 BCAEHO CC(C)C[C@@H](N)C(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000130095335 411540706 /nfs/dbraw/zinc/54/07/06/411540706.db2.gz UENIESDXHFWBSB-NWDGAFQWSA-N 1 3 239.363 0.666 10 0 BCAEHO CCNC(=O)CCN1CCC[C@@H](C[NH3+])C1 ZINC000051760042 170050666 /nfs/dbraw/zinc/05/06/66/170050666.db2.gz BNTINYVNEFYBGM-JTQLQIEISA-N 1 3 213.325 0.183 10 0 BCAEHO CCNC(=O)CC[NH2+]C[C@@H]1CCN(C2CC2)C1 ZINC000051758663 170053075 /nfs/dbraw/zinc/05/30/75/170053075.db2.gz WQYQBLXLBIFIMF-NSHDSACASA-N 1 3 239.363 0.587 10 0 BCAEHO CCNC(=O)CCNC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000051758663 170053076 /nfs/dbraw/zinc/05/30/76/170053076.db2.gz WQYQBLXLBIFIMF-NSHDSACASA-N 1 3 239.363 0.587 10 0 BCAEHO CCNC(=O)CCNC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000051758663 170053078 /nfs/dbraw/zinc/05/30/78/170053078.db2.gz WQYQBLXLBIFIMF-NSHDSACASA-N 1 3 239.363 0.587 10 0 BCAEHO CC[NH2+]C[C@@H](C)C(=O)N1CCCNCC1 ZINC000061229646 170117884 /nfs/dbraw/zinc/11/78/84/170117884.db2.gz LLAFTHLEOMOLBO-SNVBAGLBSA-N 1 3 213.325 0.054 10 0 BCAEHO CC[NH2+]C[C@@H](C)C(=O)N1CCC[C@H]1CN(C)C ZINC000061645210 170118313 /nfs/dbraw/zinc/11/83/13/170118313.db2.gz YMDBNNBXAFEUFG-NEPJUHHUSA-N 1 3 241.379 0.785 10 0 BCAEHO CC[C@H](C)[NH2+]CC(=O)NC1CCN(CC)CC1 ZINC000037978536 171339672 /nfs/dbraw/zinc/33/96/72/171339672.db2.gz DOOGFDPRVQMCAB-NSHDSACASA-N 1 3 241.379 0.975 10 0 BCAEHO COC[C@@H](CC[NH2+]C1CCNCC1)OC ZINC000665235377 412175156 /nfs/dbraw/zinc/17/51/56/412175156.db2.gz VGVQBJRBXZQMGB-LLVKDONJSA-N 1 3 216.325 0.380 10 0 BCAEHO COC[C@@H](CCNC1CC[NH2+]CC1)OC ZINC000665235377 412175159 /nfs/dbraw/zinc/17/51/59/412175159.db2.gz VGVQBJRBXZQMGB-LLVKDONJSA-N 1 3 216.325 0.380 10 0 BCAEHO CC[C@@H]([NH2+]C)C(=O)N1CC[C@H](N(C)C)C1 ZINC000662443177 412176651 /nfs/dbraw/zinc/17/66/51/412176651.db2.gz DRZGCUKSIIUQOX-VHSXEESVSA-N 1 3 213.325 0.147 10 0 BCAEHO CC[C@@H]([NH2+]C)C(=O)N1CCN2CCC[C@H]2C1 ZINC000662448965 412177932 /nfs/dbraw/zinc/17/79/32/412177932.db2.gz RGRGZIBYTSIXKB-WDEREUQCSA-N 1 3 225.336 0.291 10 0 BCAEHO COC[C@H](CCN[C@H](C)[C@@H]1CC[NH2+]C1)OC ZINC000665235772 412174579 /nfs/dbraw/zinc/17/45/79/412174579.db2.gz ZRKRYBUZCBIHTG-UTUOFQBUSA-N 1 3 230.352 0.626 10 0 BCAEHO CCN1CCC[C@H]1CN(C)C(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000662723915 412284069 /nfs/dbraw/zinc/28/40/69/412284069.db2.gz JQSCXYHICAVJGV-SRVKXCTJSA-N 1 3 239.363 0.666 10 0 BCAEHO C[C@H](NCCOCCF)[C@H]1CCC[NH2+]C1 ZINC000665299547 412248487 /nfs/dbraw/zinc/24/84/87/412248487.db2.gz OVQPDAZXOYXEHX-QWRGUYRKSA-N 1 3 218.316 0.950 10 0 BCAEHO C[C@H]([NH2+]CCOCCF)[C@H]1CCCNC1 ZINC000665299547 412248490 /nfs/dbraw/zinc/24/84/90/412248490.db2.gz OVQPDAZXOYXEHX-QWRGUYRKSA-N 1 3 218.316 0.950 10 0 BCAEHO CN(C)C(=O)[C@@H]1CCCN1[C@@H]1CCC[C@@H]1C[NH3+] ZINC000036128546 172385246 /nfs/dbraw/zinc/38/52/46/172385246.db2.gz TWRSXMVMRCWHMT-UTUOFQBUSA-N 1 3 239.363 0.666 10 0 BCAEHO CN1CCCC[C@H]1CN1CCC[NH2+]CC1 ZINC000044564189 173007035 /nfs/dbraw/zinc/00/70/35/173007035.db2.gz FQNUWJLKOICPIL-LBPRGKRZSA-N 1 3 211.353 0.766 10 0 BCAEHO CN1CCCN([C@]2(C[NH3+])CCCSC2)CC1 ZINC000061589964 173017785 /nfs/dbraw/zinc/01/77/85/173017785.db2.gz MHFFGMBXIIHARM-LBPRGKRZSA-N 1 3 243.420 0.848 10 0 BCAEHO C[N@@H+]1CCCN(c2ccnc(CN)c2)CC1 ZINC000051396524 173018711 /nfs/dbraw/zinc/01/87/11/173018711.db2.gz AWQQTKXFSALOEX-UHFFFAOYSA-N 1 3 220.320 0.682 10 0 BCAEHO C[N@H+]1CCCN(c2ccnc(CN)c2)CC1 ZINC000051396524 173018712 /nfs/dbraw/zinc/01/87/12/173018712.db2.gz AWQQTKXFSALOEX-UHFFFAOYSA-N 1 3 220.320 0.682 10 0 BCAEHO CN1CCC[C@H]1CNC(=O)[C@@]1(C)CCCC[NH2+]1 ZINC000227696613 173057433 /nfs/dbraw/zinc/05/74/33/173057433.db2.gz CQEXPOQGUFFFPU-WCQYABFASA-N 1 3 239.363 0.729 10 0 BCAEHO CN(C[C@@H]1CC[N@H+](C)C1)c1ccc(CN)nn1 ZINC000071191775 173112647 /nfs/dbraw/zinc/11/26/47/173112647.db2.gz HDCXVABXTHZEPS-SNVBAGLBSA-N 1 3 235.335 0.323 10 0 BCAEHO CN(C[C@@H]1CC[N@@H+](C)C1)c1ccc(CN)nn1 ZINC000071191775 173112649 /nfs/dbraw/zinc/11/26/49/173112649.db2.gz HDCXVABXTHZEPS-SNVBAGLBSA-N 1 3 235.335 0.323 10 0 BCAEHO CN1CC[C@@H](NC(=O)Nc2ccc(C[NH3+])cc2)C1 ZINC000042549632 173121206 /nfs/dbraw/zinc/12/12/06/173121206.db2.gz IJBRVLXVUBYFAE-GFCCVEGCSA-N 1 3 248.330 0.971 10 0 BCAEHO CN(C[C@H]1CC[N@H+](C)C1)c1ccc(CN)nn1 ZINC000071191774 173143332 /nfs/dbraw/zinc/14/33/32/173143332.db2.gz HDCXVABXTHZEPS-JTQLQIEISA-N 1 3 235.335 0.323 10 0 BCAEHO CN(C[C@H]1CC[N@@H+](C)C1)c1ccc(CN)nn1 ZINC000071191774 173143333 /nfs/dbraw/zinc/14/33/33/173143333.db2.gz HDCXVABXTHZEPS-JTQLQIEISA-N 1 3 235.335 0.323 10 0 BCAEHO C[N@@H+]1CC[C@H](CNC[C@H](O)COC(C)(C)C)C1 ZINC000037894109 173147183 /nfs/dbraw/zinc/14/71/83/173147183.db2.gz DYDAWUGIQFYDRI-NEPJUHHUSA-N 1 3 244.379 0.704 10 0 BCAEHO C[N@H+]1CC[C@H](CNC[C@H](O)COC(C)(C)C)C1 ZINC000037894109 173147184 /nfs/dbraw/zinc/14/71/84/173147184.db2.gz DYDAWUGIQFYDRI-NEPJUHHUSA-N 1 3 244.379 0.704 10 0 BCAEHO CN1CC[C@H](NC(=O)CCC2CC[NH2+]CC2)C1 ZINC000050951051 173150913 /nfs/dbraw/zinc/15/09/13/173150913.db2.gz ZCJVFGVCXNUUPI-LBPRGKRZSA-N 1 3 239.363 0.587 10 0 BCAEHO CN(CC1CCC1)[C@@]1(C[NH3+])CCN(C)C1 ZINC000061990805 173163555 /nfs/dbraw/zinc/16/35/55/173163555.db2.gz KYUSEKYQJRQVAR-GFCCVEGCSA-N 1 3 211.353 0.751 10 0 BCAEHO CNC(=O)C1CC[NH+]([C@@H]2CCC[C@@H]2CN)CC1 ZINC000036128605 173224596 /nfs/dbraw/zinc/22/45/96/173224596.db2.gz DTRVHBJVVAGVCX-VXGBXAGGSA-N 1 3 239.363 0.572 10 0 BCAEHO CNC(=O)C1CCN([C@@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000036128605 173224597 /nfs/dbraw/zinc/22/45/97/173224597.db2.gz DTRVHBJVVAGVCX-VXGBXAGGSA-N 1 3 239.363 0.572 10 0 BCAEHO CNC(=O)CCN1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000051761584 173253734 /nfs/dbraw/zinc/25/37/34/173253734.db2.gz AGVMACSFMJXOQN-RYUDHWBXSA-N 1 3 239.363 0.587 10 0 BCAEHO CNC(=O)C[NH2+][C@@H](C)[C@H]1CCCN(C)C1 ZINC000037224640 173277399 /nfs/dbraw/zinc/27/73/99/173277399.db2.gz ZMPNSWAFDMOSMO-UWVGGRQHSA-N 1 3 213.325 0.052 10 0 BCAEHO CNC(=O)[C@@H](C)[NH2+][C@@H](C)C1CCN(C)CC1 ZINC000042561278 173295303 /nfs/dbraw/zinc/29/53/03/173295303.db2.gz RNUCBBRETMFXMT-VHSXEESVSA-N 1 3 227.352 0.441 10 0 BCAEHO C[NH2+]C(C)(C)C(=O)N[C@@H]1CCN2CCC[C@H]12 ZINC000061300604 173318552 /nfs/dbraw/zinc/31/85/52/173318552.db2.gz IGXFZZFEGZZMIX-NXEZZACHSA-N 1 3 225.336 0.337 10 0 BCAEHO C[NH2+]C(C)(C)C(=O)N[C@H](C)CN1CCCCC1 ZINC000061300577 173318607 /nfs/dbraw/zinc/31/86/07/173318607.db2.gz ZBKRXZZJYDCEPK-LLVKDONJSA-N 1 3 241.379 0.975 10 0 BCAEHO C[NH2+]C1CCN([C@H]2CCCC[C@@H]2O)CC1 ZINC000037690848 173323868 /nfs/dbraw/zinc/32/38/68/173323868.db2.gz GKFCEGGMIFSZFD-RYUDHWBXSA-N 1 3 212.337 0.974 10 0 BCAEHO C[NH2+]C[C@H]1CC[C@H](CN2CCC(OC)CC2)O1 ZINC000052455398 173382912 /nfs/dbraw/zinc/38/29/12/173382912.db2.gz RDEYDFCDZKATEG-CHWSQXEVSA-N 1 3 242.363 0.864 10 0 BCAEHO C[NH2+]C[C@H]1CC[C@@H](CN2CCCOCC2)O1 ZINC000061935855 173382937 /nfs/dbraw/zinc/38/29/37/173382937.db2.gz BJTCLERBXIGFGL-NEPJUHHUSA-N 1 3 228.336 0.476 10 0 BCAEHO CN[C@H](C)C(=O)N1CCC(C[NH+](C)C)CC1 ZINC000054075556 173443929 /nfs/dbraw/zinc/44/39/29/173443929.db2.gz XMYFNDAUMZIZRI-SNVBAGLBSA-N 1 3 227.352 0.395 10 0 BCAEHO COCCN(CCC[NH3+])CCn1ccnc1C ZINC000071225264 174291104 /nfs/dbraw/zinc/29/11/04/174291104.db2.gz FYPVESVGAPQBIN-UHFFFAOYSA-N 1 3 240.351 0.489 10 0 BCAEHO COCCN(CCN1CCC[NH2+]CC1)C1CC1 ZINC000061275381 174291920 /nfs/dbraw/zinc/29/19/20/174291920.db2.gz KHMOHWUUCKFBBO-UHFFFAOYSA-N 1 3 241.379 0.393 10 0 BCAEHO COCC[NH2+]CCCN1CCN(C(C)C)CC1 ZINC000053499170 174332311 /nfs/dbraw/zinc/33/23/11/174332311.db2.gz VMNTXNOLISQCEC-UHFFFAOYSA-N 1 3 243.395 0.639 10 0 BCAEHO COCC[C@@H]([NH3+])CN1CCN(CC(C)C)CC1 ZINC000055083743 174392614 /nfs/dbraw/zinc/39/26/14/174392614.db2.gz SQNNYOLSLYZCFR-CYBMUJFWSA-N 1 3 243.395 0.624 10 0 BCAEHO C[C@@H]1C[N@H+](CCC[C@](C)(N)C(N)=O)CCCO1 ZINC000061933228 176290116 /nfs/dbraw/zinc/29/01/16/176290116.db2.gz IHNOGJSMZTTYHE-PWSUYJOCSA-N 1 3 243.351 0.080 10 0 BCAEHO C[C@@H]1C[N@@H+](CCC[C@](C)(N)C(N)=O)CCCO1 ZINC000061933228 176290118 /nfs/dbraw/zinc/29/01/18/176290118.db2.gz IHNOGJSMZTTYHE-PWSUYJOCSA-N 1 3 243.351 0.080 10 0 BCAEHO C[C@@H]1CNCCC[N@H+](C[C@@H]2CCOC2)C1 ZINC000061148150 176323992 /nfs/dbraw/zinc/32/39/92/176323992.db2.gz XQTOKMRKXKQNNK-NEPJUHHUSA-N 1 3 212.337 0.954 10 0 BCAEHO C[C@@H]1CNCCC[N@@H+](C[C@@H]2CCOC2)C1 ZINC000061148150 176323994 /nfs/dbraw/zinc/32/39/94/176323994.db2.gz XQTOKMRKXKQNNK-NEPJUHHUSA-N 1 3 212.337 0.954 10 0 BCAEHO CC(C)C[C@H](N)C(=O)N[C@H]1CCC[NH2+][C@H]1C ZINC000193523757 487636825 /nfs/dbraw/zinc/63/68/25/487636825.db2.gz DXHDBIXMMBEHCD-DCAQKATOSA-N 1 3 227.352 0.617 10 0 BCAEHO C[C@H]1CC[C@@H](C(=O)NC2CCN(C)CC2)C[NH2+]1 ZINC000037267789 177181364 /nfs/dbraw/zinc/18/13/64/177181364.db2.gz ABQKCZPRXSAYDN-WDEREUQCSA-N 1 3 239.363 0.585 10 0 BCAEHO C[C@H]1C[N@@H+](C2CCN(C)CC2)[C@@H](C)CN1 ZINC000062570460 177242522 /nfs/dbraw/zinc/24/25/22/177242522.db2.gz ZPHBMNSODBXYHJ-QWRGUYRKSA-N 1 3 211.353 0.763 10 0 BCAEHO C[C@H]1C[N@H+](C2CCN(C)CC2)[C@@H](C)CN1 ZINC000062570460 177242524 /nfs/dbraw/zinc/24/25/24/177242524.db2.gz ZPHBMNSODBXYHJ-QWRGUYRKSA-N 1 3 211.353 0.763 10 0 BCAEHO C[C@@H]1CO[C@@H](C)CN1CC1(O)CC[NH2+]CC1 ZINC000051015961 177244973 /nfs/dbraw/zinc/24/49/73/177244973.db2.gz BPWYRPVBZRXJCM-MNOVXSKESA-N 1 3 228.336 0.210 10 0 BCAEHO C[C@H]1C[N@H+](CCC[C@](C)(N)C(N)=O)CCCO1 ZINC000061933229 177249725 /nfs/dbraw/zinc/24/97/25/177249725.db2.gz IHNOGJSMZTTYHE-JQWIXIFHSA-N 1 3 243.351 0.080 10 0 BCAEHO C[C@H]1C[N@@H+](CCC[C@](C)(N)C(N)=O)CCCO1 ZINC000061933229 177249726 /nfs/dbraw/zinc/24/97/26/177249726.db2.gz IHNOGJSMZTTYHE-JQWIXIFHSA-N 1 3 243.351 0.080 10 0 BCAEHO C[C@H]1C[C@@H](C(=O)N(C)CCN(C)C)CC[C@@H]1[NH3+] ZINC000104199637 177307851 /nfs/dbraw/zinc/30/78/51/177307851.db2.gz OTXQMIFBASUUAA-SRVKXCTJSA-N 1 3 241.379 0.770 10 0 BCAEHO C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1N[C@@H]1CCC(=O)NC1 ZINC000104341986 177371688 /nfs/dbraw/zinc/37/16/88/177371688.db2.gz NCIBPKFXBZASDC-KXNHARMFSA-N 1 3 239.363 0.583 10 0 BCAEHO C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1N[C@@H]1CCC(=O)NC1 ZINC000104341986 177371690 /nfs/dbraw/zinc/37/16/90/177371690.db2.gz NCIBPKFXBZASDC-KXNHARMFSA-N 1 3 239.363 0.583 10 0 BCAEHO COC[C@H](N[C@@H](C)[C@@H]1CC[NH2+]C1)C1CC1 ZINC000400430356 226343226 /nfs/dbraw/zinc/34/32/26/226343226.db2.gz ZYPXVRMBPCERNO-WCQGTBRESA-N 1 3 212.337 0.999 10 0 BCAEHO CCC[C@H](N)C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000336752524 487722011 /nfs/dbraw/zinc/72/20/11/487722011.db2.gz VTYZZVOJQVQAKL-GUBZILKMSA-N 1 3 213.325 0.500 10 0 BCAEHO CN(C)[C@@H]1CCN(C(=O)[C@H]2CCC[C@H]2C[NH3+])C1 ZINC000250345647 487730594 /nfs/dbraw/zinc/73/05/94/487730594.db2.gz GIUWZHWMBGHZQZ-TUAOUCFPSA-N 1 3 239.363 0.524 10 0 BCAEHO CN1CCC[C@H](NC(=O)[C@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000250598392 487736367 /nfs/dbraw/zinc/73/63/67/487736367.db2.gz JJASWJRYSCMDFX-TUAOUCFPSA-N 1 3 239.363 0.714 10 0 BCAEHO CN1CCC[C@H](CNC(=O)[C@H]2CC[NH2+]C2)C1 ZINC000250603652 487736408 /nfs/dbraw/zinc/73/64/08/487736408.db2.gz KRVCTLAAKNPCHP-MNOVXSKESA-N 1 3 225.336 0.054 10 0 BCAEHO CN[C@H](C)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000054073609 487736858 /nfs/dbraw/zinc/73/68/58/487736858.db2.gz VTGTYPJGAXWSJR-GMTAPVOTSA-N 1 3 225.336 0.337 10 0 BCAEHO CN[C@H](C)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000054073609 487736868 /nfs/dbraw/zinc/73/68/68/487736868.db2.gz VTGTYPJGAXWSJR-GMTAPVOTSA-N 1 3 225.336 0.337 10 0 BCAEHO C[C@H](O)C1CCN(C[C@@H]2CC[NH2+]C2)CC1 ZINC000226437555 487745599 /nfs/dbraw/zinc/74/55/99/487745599.db2.gz AOJAPSVQXLJBIS-WDEREUQCSA-N 1 3 212.337 0.689 10 0 BCAEHO CN1CCC(NC(=O)[C@@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000089450499 487817665 /nfs/dbraw/zinc/81/76/65/487817665.db2.gz MBYNDTPNGNIJPP-ZYHUDNBSSA-N 1 3 239.363 0.572 10 0 BCAEHO C([C@@H]1CC[NH2+]C1)N1CCN2CCCC[C@@H]2C1 ZINC000227374837 487826424 /nfs/dbraw/zinc/82/64/24/487826424.db2.gz KMLKOMKZALRYPL-CHWSQXEVSA-N 1 3 223.364 0.766 10 0 BCAEHO C[C@H]1CN2CCC[C@H]2CN1C(=O)[C@H]1CCC[NH2+]1 ZINC000252714715 487830819 /nfs/dbraw/zinc/83/08/19/487830819.db2.gz SSHLECNLALBECW-SDDRHHMPSA-N 1 3 237.347 0.434 10 0 BCAEHO CCN1CCC[C@@H](NC(=O)[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000570282022 323055012 /nfs/dbraw/zinc/05/50/12/323055012.db2.gz CMCRPYCHMOTGMG-OUAUKWLOSA-N 1 3 225.336 0.324 10 0 BCAEHO C[C@@H]([NH2+][C@H]1CCCNC1=O)C1CCN(C)CC1 ZINC000050394879 487968696 /nfs/dbraw/zinc/96/86/96/487968696.db2.gz VLJZVRAIATWXCW-PWSUYJOCSA-N 1 3 239.363 0.585 10 0 BCAEHO CCC[C@@H](N)C(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC000566197718 326011238 /nfs/dbraw/zinc/01/12/38/326011238.db2.gz OABWKVJBJLDTJR-WDEREUQCSA-N 1 3 227.352 0.524 10 0 BCAEHO CC[C@@H](C)[C@@H](N)C(=O)N(C)CCC[NH3+] ZINC000158854713 487978651 /nfs/dbraw/zinc/97/86/51/487978651.db2.gz IMLPWSGYQLPZTO-RKDXNWHRSA-N 1 3 201.314 0.167 10 0 BCAEHO C[C@H](N[C@@H]1CCCC[C@H]1O)[C@H]1CC[NH2+]C1 ZINC000400438643 487978675 /nfs/dbraw/zinc/97/86/75/487978675.db2.gz LWHGJEQWUQDSSM-NNYUYHANSA-N 1 3 212.337 0.878 10 0 BCAEHO CC(C)[C@H]([NH3+])CC(=O)NC[C@@H]1CCCN(C)C1 ZINC000136444966 488103391 /nfs/dbraw/zinc/10/33/91/488103391.db2.gz NXCUJVTUGOFHLJ-NWDGAFQWSA-N 1 3 241.379 0.818 10 0 BCAEHO CC(C)[C@H]([NH3+])CC(=O)N1CCC[C@@H](N(C)C)C1 ZINC000136479836 488105639 /nfs/dbraw/zinc/10/56/39/488105639.db2.gz QDGZHMMDUDRCCP-VXGBXAGGSA-N 1 3 241.379 0.912 10 0 BCAEHO CN[C@H](C)C(=O)N1CCC([NH+](C)C)CC1 ZINC000054072512 488205627 /nfs/dbraw/zinc/20/56/27/488205627.db2.gz AUFBKKUAFPGMEF-SECBINFHSA-N 1 3 213.325 0.147 10 0 BCAEHO C1C[NH2+]C[C@@H](c2[nH]nc3c2CNCC3)C1 ZINC000757168422 582549606 /nfs/dbraw/zinc/54/96/06/582549606.db2.gz DQKRGGGYNSCPBB-QMMMGPOBSA-N 1 3 206.293 0.522 10 0 BCAEHO C1C[NH2+]C[C@@H](c2n[nH]c3c2CNCC3)C1 ZINC000757168422 582549608 /nfs/dbraw/zinc/54/96/08/582549608.db2.gz DQKRGGGYNSCPBB-QMMMGPOBSA-N 1 3 206.293 0.522 10 0 BCAEHO CN(C)C[C@H]1CN(C[C@]2(C)CC[NH2+]C2)CCO1 ZINC000261884120 535969505 /nfs/dbraw/zinc/96/95/05/535969505.db2.gz RNGCDWDQZLIQEW-QWHCGFSZSA-N 1 3 241.379 0.248 10 0 BCAEHO CCN(CC)CCN[C@@H](C)[C@@H]1CC[NH2+]C1 ZINC000400334663 528137192 /nfs/dbraw/zinc/13/71/92/528137192.db2.gz CXCDJVXWAVGCAL-NWDGAFQWSA-N 1 3 213.369 0.916 10 0 BCAEHO CC(C)[C@H](CO)CN[C@@H](C)[C@H]1CC[NH2+]C1 ZINC000400484474 529023557 /nfs/dbraw/zinc/02/35/57/529023557.db2.gz WYQCMULNUOIFNU-SRVKXCTJSA-N 1 3 214.353 0.839 10 0 BCAEHO CC[C@@H](C)[C@@H](N)C(=O)NCC([NH3+])(CC)CC ZINC000262660615 535654475 /nfs/dbraw/zinc/65/44/75/535654475.db2.gz ZAYAFSBXNMUJHY-NXEZZACHSA-N 1 3 229.368 0.994 10 0 BCAEHO CCC[C@H](N)C(=O)N[C@@H]1CCC[C@@H]1C[NH3+] ZINC000261555948 535677804 /nfs/dbraw/zinc/67/78/04/535677804.db2.gz VKVGWGNZXCYQPH-KXUCPTDWSA-N 1 3 213.325 0.357 10 0 BCAEHO CCC[C@H](N)C(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000262438440 535678415 /nfs/dbraw/zinc/67/84/15/535678415.db2.gz MRXQKUBWYBAVIQ-GARJFASQSA-N 1 3 227.352 0.748 10 0 BCAEHO C[NH2+][C@H](C)CNC(=O)[C@@H](C)N1CCCCCC1 ZINC000261747500 536398039 /nfs/dbraw/zinc/39/80/39/536398039.db2.gz NDGSHZUQJFBBIF-VXGBXAGGSA-N 1 3 241.379 0.975 10 0 BCAEHO CCCC[NH2+]C[C@@]12C[C@]1(C(=O)OC)CNC2 ZINC000675073985 566454117 /nfs/dbraw/zinc/45/41/17/566454117.db2.gz PAMMWSXFKWXNHM-VXGBXAGGSA-N 1 3 226.320 0.529 10 0 BCAEHO CCCCNC[C@@]12C[C@]1(C(=O)OC)C[NH2+]C2 ZINC000675073985 566454121 /nfs/dbraw/zinc/45/41/21/566454121.db2.gz PAMMWSXFKWXNHM-VXGBXAGGSA-N 1 3 226.320 0.529 10 0 BCAEHO CCn1cc([C@H]2CNC[C@@H](C[NH3+])C2)cn1 ZINC000757234640 582563538 /nfs/dbraw/zinc/56/35/38/582563538.db2.gz LAVIZYNQETYLRB-NXEZZACHSA-N 1 3 208.309 0.555 10 0 BCAEHO CCn1cc([C@H]2C[NH2+]C[C@@H](CN)C2)cn1 ZINC000757234640 582563539 /nfs/dbraw/zinc/56/35/39/582563539.db2.gz LAVIZYNQETYLRB-NXEZZACHSA-N 1 3 208.309 0.555 10 0 BCAEHO [NH3+][C@@H]1CC[C@H](C(=O)N[C@@H]2CCN(C3CC3)C2)C1 ZINC000227804507 632940001 /nfs/dbraw/zinc/94/00/01/632940001.db2.gz MMLXWUOOOPBODM-HBNTYKKESA-N 1 3 237.347 0.467 10 0 BCAEHO CCN(CC)CC(=O)N[C@H]1CCC[C@@H]1C[NH3+] ZINC000236843120 634037678 /nfs/dbraw/zinc/03/76/78/634037678.db2.gz ZVMKEVZISADOEP-MNOVXSKESA-N 1 3 227.352 0.572 10 0 BCAEHO CC[NH+](CC)[C@H](C)CNC(=O)[C@H](C)N ZINC000236867188 635530806 /nfs/dbraw/zinc/53/08/06/635530806.db2.gz FNNRBJYUSDLYHA-BDAKNGLRSA-N 1 3 201.314 0.180 10 0 BCAEHO [NH3+][C@H]1CCC[C@@H](C(=O)NCCN2CCCC2)C1 ZINC000055088154 640432196 /nfs/dbraw/zinc/43/21/96/640432196.db2.gz YFIMFRPNZOIRBN-NEPJUHHUSA-N 1 3 239.363 0.716 10 0 BCAEHO CC(C)N(C)CC(=O)N[C@H]1CCC[C@@H]1C[NH3+] ZINC000157596212 640695875 /nfs/dbraw/zinc/69/58/75/640695875.db2.gz ZGOPTWBNDHSSRV-MNOVXSKESA-N 1 3 227.352 0.570 10 0 BCAEHO CC(C)OC[C@@H](O)CN1CC[C@@H](C[NH3+])C1 ZINC000226126990 640733034 /nfs/dbraw/zinc/73/30/34/640733034.db2.gz KKOWWNGBLGCSNA-QWRGUYRKSA-N 1 3 216.325 0.053 10 0 BCAEHO CCCCOC[C@H](O)CN1CCC[C@@H](C[NH3+])C1 ZINC000227910232 640853836 /nfs/dbraw/zinc/85/38/36/640853836.db2.gz TXCVMVKMLVCJPV-QWHCGFSZSA-N 1 3 244.379 0.835 10 0 BCAEHO CCN1CCC[C@H](NC(=O)[C@H]([NH3+])CC2CC2)C1 ZINC000306111869 642722855 /nfs/dbraw/zinc/72/28/55/642722855.db2.gz WNKNCTZDNNXZCL-NWDGAFQWSA-N 1 3 239.363 0.714 10 0 BCAEHO C[C@H](Cn1cccn1)[NH2+][C@@H]1CCC[C@@H]1CN ZINC000084219655 644420800 /nfs/dbraw/zinc/42/08/00/644420800.db2.gz UKERGDCECRYPFB-IJLUTSLNSA-N 1 3 222.336 0.989 10 0 BCAEHO CCC[C@H](N)C(=O)N[C@@H]1CCC[NH2+][C@H]1C ZINC000248894991 644703791 /nfs/dbraw/zinc/70/37/91/644703791.db2.gz XFAXHGSYCJOJHR-LPEHRKFASA-N 1 3 213.325 0.371 10 0 BCAEHO CC(C)OC[C@H](O)CN1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000252782855 644906925 /nfs/dbraw/zinc/90/69/25/644906925.db2.gz NOWWZHFKOCHRCL-QJPTWQEYSA-N 1 3 230.352 0.441 10 0 BCAEHO CC(C)OC[C@H](O)CN1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000226124412 711830116 /nfs/dbraw/zinc/83/01/16/711830116.db2.gz NFJKWQVYGJBYNU-JHJVBQTASA-N 1 3 244.379 0.832 10 0 BCAEHO C([C@H]1CCC[NH2+]1)N1CCN2CCCC[C@@H]2C1 ZINC000227374667 711832337 /nfs/dbraw/zinc/83/23/37/711832337.db2.gz CVJAJLZHVKBSSC-CHWSQXEVSA-N 1 3 223.364 0.909 10 0 BCAEHO CCC[C@@H](N)C(=O)N1C[C@@H](F)C[C@H]1C[NH3+] ZINC000378802069 712361807 /nfs/dbraw/zinc/36/18/07/712361807.db2.gz UUOHYPCRFQIRQE-XHNCKOQMSA-N 1 3 217.288 0.012 10 0 BCAEHO CCC[C@H](N)C(=O)N1C[C@@H](F)C[C@H]1C[NH3+] ZINC000378802067 712361825 /nfs/dbraw/zinc/36/18/25/712361825.db2.gz UUOHYPCRFQIRQE-CIUDSAMLSA-N 1 3 217.288 0.012 10 0 BCAEHO CCC[C@H]([NH3+])C(=O)N1CC[C@H]2[C@H]1CCCN2C ZINC000720905307 712876370 /nfs/dbraw/zinc/87/63/70/712876370.db2.gz ZGWIJQZXEMGTNN-SDDRHHMPSA-N 1 3 239.363 0.809 10 0 BCAEHO C[C@H](NC[C@H]1C[C@@H]2COC[C@@H]2O1)[C@@H]1CC[NH2+]C1 ZINC000724586962 711595804 /nfs/dbraw/zinc/59/58/04/711595804.db2.gz QUDCMQUOYDZUEG-CLPYTZEMSA-N 1 3 240.347 0.378 10 0 BCAEHO C(NC1CC[NH2+]CC1)[C@@H]1C[C@@H]2COC[C@@H]2O1 ZINC000724604418 711597486 /nfs/dbraw/zinc/59/74/86/711597486.db2.gz PQWSQAUZVBOIRW-USWWRNFRSA-N 1 3 226.320 0.132 10 0 BCAEHO C([NH2+]C1CCNCC1)[C@@H]1C[C@@H]2COC[C@@H]2O1 ZINC000724604418 711597487 /nfs/dbraw/zinc/59/74/87/711597487.db2.gz PQWSQAUZVBOIRW-USWWRNFRSA-N 1 3 226.320 0.132 10 0 BCAEHO CC(C)OC[C@H](O)C[N@@H+]1CCNCCC1(C)C ZINC000712565356 712446182 /nfs/dbraw/zinc/44/61/82/712446182.db2.gz XKVIRGUVFAZDMV-GFCCVEGCSA-N 1 3 244.379 0.846 10 0 BCAEHO CC(C)OC[C@H](O)C[N@H+]1CCNCCC1(C)C ZINC000712565356 712446183 /nfs/dbraw/zinc/44/61/83/712446183.db2.gz XKVIRGUVFAZDMV-GFCCVEGCSA-N 1 3 244.379 0.846 10 0 BCAEHO NC(=O)C1CC(N[C@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000716682722 712569744 /nfs/dbraw/zinc/56/97/44/712569744.db2.gz DRVICHOOIYLWGY-ADPBJBESSA-N 1 3 237.347 0.467 10 0 BCAEHO NC(=O)C1CC(N[C@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000716682722 712569745 /nfs/dbraw/zinc/56/97/45/712569745.db2.gz DRVICHOOIYLWGY-ADPBJBESSA-N 1 3 237.347 0.467 10 0 BCAEHO C[C@H](N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)c1cn(C)nn1 ZINC000720601665 712857456 /nfs/dbraw/zinc/85/74/56/712857456.db2.gz IJSBWVWXRYWDPH-WHOHXGKFSA-N 1 3 249.362 0.854 10 0 BCAEHO CN1CCC[C@H]2[C@@H]1CCN2C(=O)[C@H]1CC[NH2+]C1 ZINC000720885187 712874602 /nfs/dbraw/zinc/87/46/02/712874602.db2.gz CWUDJIJBNBSRPB-SRVKXCTJSA-N 1 3 237.347 0.291 10 0 BCAEHO CN1CCC[C@@H]2[C@@H]1CCN2C(=O)C1CC([NH3+])C1 ZINC000720901467 712875749 /nfs/dbraw/zinc/87/57/49/712875749.db2.gz SALRTASNGGPNAT-MMVSWEMESA-N 1 3 237.347 0.419 10 0 BCAEHO CCC[C@H]([NH3+])C(=O)N1CC[C@@H]2[C@@H]1CCCN2C ZINC000720905310 712876331 /nfs/dbraw/zinc/87/63/31/712876331.db2.gz ZGWIJQZXEMGTNN-TUAOUCFPSA-N 1 3 239.363 0.809 10 0 BCAEHO C[NH2+][C@H](C)C(=O)N1CC[C@@H]2[C@H]1CCCN2C ZINC000720897525 712876526 /nfs/dbraw/zinc/87/65/26/712876526.db2.gz HTKCPCDZEOIPMH-GMTAPVOTSA-N 1 3 225.336 0.289 10 0 BCAEHO C[NH2+][C@H](C)C(=O)N1CC[C@H]2[C@H]1CCCN2C ZINC000720897556 712876991 /nfs/dbraw/zinc/87/69/91/712876991.db2.gz HTKCPCDZEOIPMH-OUAUKWLOSA-N 1 3 225.336 0.289 10 0 BCAEHO CN(C(=O)[C@@H]1CC[NH2+]C1)[C@@H]1CN2CCC1CC2 ZINC000379786910 398166668 /nfs/dbraw/zinc/16/66/68/398166668.db2.gz ZNAZHEZRVYRLQP-VXGBXAGGSA-N 1 3 237.347 0.149 10 0 BCAEHO Cc1cc(NC[C@H]2CNCCO2)cc[nH+]1 ZINC000229577300 178170331 /nfs/dbraw/zinc/17/03/31/178170331.db2.gz KBTIIMPDXVSWED-LLVKDONJSA-N 1 3 207.277 0.790 10 0 BCAEHO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)[C@H](N)C(C)C ZINC000092629547 398235685 /nfs/dbraw/zinc/23/56/85/398235685.db2.gz MPAIKBUXONYRDA-VXGBXAGGSA-N 1 3 241.379 0.912 10 0 BCAEHO CC[N@H+]1CCC[C@@H]1CN(C)C(=O)[C@H](N)C(C)C ZINC000092629547 398235688 /nfs/dbraw/zinc/23/56/88/398235688.db2.gz MPAIKBUXONYRDA-VXGBXAGGSA-N 1 3 241.379 0.912 10 0 BCAEHO CCN1CCC[C@@H]1CN(C)C(=O)[C@@H](C)C[NH2+]C ZINC000092629604 398235785 /nfs/dbraw/zinc/23/57/85/398235785.db2.gz WBLLQMVUMVYPCV-NWDGAFQWSA-N 1 3 241.379 0.785 10 0 BCAEHO CN(C)C[C@H]1COC[C@H]1[NH+]1CCC(CO)CC1 ZINC000725273978 539026874 /nfs/dbraw/zinc/02/68/74/539026874.db2.gz ZVEUBSAZMHRTCB-QWHCGFSZSA-N 1 3 242.363 0.267 10 0 BCAEHO CC(C)C[C@H](CN(C)C)NC(=O)C[C@H](C)[NH3+] ZINC000037476477 398327895 /nfs/dbraw/zinc/32/78/95/398327895.db2.gz GJZVNCCAQGAHGF-WDEREUQCSA-N 1 3 229.368 0.816 10 0 BCAEHO CCC[C@H](N)C(=O)NCCC[NH+](CC)CC ZINC000036872886 342993010 /nfs/dbraw/zinc/99/30/10/342993010.db2.gz JNKMRBFIHABHRM-NSHDSACASA-N 1 3 229.368 0.962 10 0 BCAEHO C[C@@H](C(N)=S)[NH+]1CCC(N(C)C)CC1 ZINC000043514111 343115548 /nfs/dbraw/zinc/11/55/48/343115548.db2.gz LGGSIDYYLZMHEC-QMMMGPOBSA-N 1 3 215.366 0.687 10 0 BCAEHO CN(C)[C@H]1CCN(C(=O)CC[C@H]2CC[NH2+]C2)C1 ZINC000134562501 343194956 /nfs/dbraw/zinc/19/49/56/343194956.db2.gz QEQCZUVWUVFCHG-RYUDHWBXSA-N 1 3 239.363 0.539 10 0 BCAEHO CC(C)COC[C@H](O)CN[C@@H](C)CC[NH+](C)C ZINC000049557139 187270256 /nfs/dbraw/zinc/27/02/56/187270256.db2.gz KQGFXQQBOUKIEQ-QWHCGFSZSA-N 1 3 246.395 0.950 10 0 BCAEHO C[N@@H+]1CCC[C@@H](C(=O)N2CCCNCC2)C1 ZINC000049474944 187270716 /nfs/dbraw/zinc/27/07/16/187270716.db2.gz MSBWTIVXWDEEBS-LLVKDONJSA-N 1 3 225.336 0.150 10 0 BCAEHO C[N@H+]1CCC[C@@H](C(=O)N2CCCNCC2)C1 ZINC000049474944 187270717 /nfs/dbraw/zinc/27/07/17/187270717.db2.gz MSBWTIVXWDEEBS-LLVKDONJSA-N 1 3 225.336 0.150 10 0 BCAEHO CC(C)[C@H](C[NH3+])C(=O)N(C)[C@@H]1CCCN(C)C1 ZINC000053245200 187271674 /nfs/dbraw/zinc/27/16/74/187271674.db2.gz QEIPPBKZOVYRGJ-NEPJUHHUSA-N 1 3 241.379 0.770 10 0 BCAEHO CN1CCC(C(=O)N2C[C@H]3CC[C@]3([NH3+])C2)CC1 ZINC000616571120 344178531 /nfs/dbraw/zinc/17/85/31/344178531.db2.gz DWWZXDJZJTUHJY-YPMHNXCESA-N 1 3 237.347 0.278 10 0 BCAEHO CCCN(CCN(C)C)C(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000091539686 344281734 /nfs/dbraw/zinc/28/17/34/344281734.db2.gz ZQBDJUVEGVOSBO-NEPJUHHUSA-N 1 3 241.379 0.914 10 0 BCAEHO CO[C@H](C)CN1CCC[NH2+]C[C@@H](C)C1 ZINC000224540784 344944997 /nfs/dbraw/zinc/94/49/97/344944997.db2.gz GXTQWJCHSMTNPB-GHMZBOCLSA-N 1 3 200.326 0.953 10 0 BCAEHO CCN1CCC[C@H](NC(=O)[C@H]2CC[C@H]([NH3+])C2)C1 ZINC000246160146 345250901 /nfs/dbraw/zinc/25/09/01/345250901.db2.gz LTFJBELSHVTYHV-SRVKXCTJSA-N 1 3 239.363 0.714 10 0 BCAEHO CCN1CCC[C@H](NC(=O)[C@H](C)[C@H](C)[NH3+])C1 ZINC000248489329 345403548 /nfs/dbraw/zinc/40/35/48/345403548.db2.gz MVTGNCMHQOYDFT-VWYCJHECSA-N 1 3 227.352 0.570 10 0 BCAEHO CCN1CCC[C@@H]1CN(C)C(=O)[C@@H](C)[C@H](C)[NH3+] ZINC000248492925 345403734 /nfs/dbraw/zinc/40/37/34/345403734.db2.gz OYBDNQWGXVSUFJ-SDDRHHMPSA-N 1 3 241.379 0.912 10 0 BCAEHO C[C@H](N)C(=O)N1CC[C@]2(CC[C@H](C[NH3+])C2)C1 ZINC000095088882 346024458 /nfs/dbraw/zinc/02/44/58/346024458.db2.gz MCYBNYMFFOUDAZ-NHCYSSNCSA-N 1 3 225.336 0.311 10 0 BCAEHO COC(=O)CCN1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000601325470 347207328 /nfs/dbraw/zinc/20/73/28/347207328.db2.gz CTXYITVUWVUQHN-BDAKNGLRSA-N 1 3 200.282 0.076 10 0 BCAEHO [NH3+]C[C@@H]1CCN(C[C@H]2CCOCO2)C1 ZINC000250821507 362823118 /nfs/dbraw/zinc/82/31/18/362823118.db2.gz GGIDJBOQDRMPEF-VHSXEESVSA-N 1 3 200.282 0.030 10 0 BCAEHO C[NH2+][C@H](C)C(=O)NCCN1CCCCCC1 ZINC000054076096 348878569 /nfs/dbraw/zinc/87/85/69/348878569.db2.gz FEZPVKPOLLYKDA-LLVKDONJSA-N 1 3 227.352 0.587 10 0 BCAEHO CN1CCC(NC(=O)[C@@]2(C)CCC[NH2+]2)CC1 ZINC000070618711 350032062 /nfs/dbraw/zinc/03/20/62/350032062.db2.gz POXJELQFAFFRGP-GFCCVEGCSA-N 1 3 225.336 0.339 10 0 BCAEHO Cc1nc(NCCN(C)C)sc1CC[NH3+] ZINC000057518045 180017566 /nfs/dbraw/zinc/01/75/66/180017566.db2.gz MUOKBSRHSRKFGF-UHFFFAOYSA-N 1 3 228.365 0.926 10 0 BCAEHO C[C@H](CNC(=O)[C@@H]1C[NH2+]C[C@H]1C)N(C)C1CC1 ZINC000219973523 350153848 /nfs/dbraw/zinc/15/38/48/350153848.db2.gz AFAMWWNVPPTESJ-CKYFFXLPSA-N 1 3 239.363 0.441 10 0 BCAEHO [NH3+][C@H]1CC[C@@H](C(=O)Nc2ccnn2C2CNC2)C1 ZINC000725258001 538069740 /nfs/dbraw/zinc/06/97/40/538069740.db2.gz CQBGRPIMMSUKCW-BDAKNGLRSA-N 1 3 249.318 0.093 10 0 BCAEHO CC[C@@](C)(N)C(=O)Nc1ccnn1C1C[NH2+]C1 ZINC000725258151 538071724 /nfs/dbraw/zinc/07/17/24/538071724.db2.gz IWOWWYSHARWDBW-LLVKDONJSA-N 1 3 237.307 0.093 10 0 BCAEHO CCC[C@@H](N)C(=O)Nc1ccnn1C1C[NH2+]C1 ZINC000725258522 538076124 /nfs/dbraw/zinc/07/61/24/538076124.db2.gz RFMZJEMUROLRKP-SECBINFHSA-N 1 3 237.307 0.093 10 0 BCAEHO C[C@@H]([NH3+])CCC(=O)Nc1ccnn1C1CNC1 ZINC000725258788 538078278 /nfs/dbraw/zinc/07/82/78/538078278.db2.gz ZXXCQGQEOJLNSM-MRVPVSSYSA-N 1 3 237.307 0.093 10 0 BCAEHO CCC[C@H](N)C(=O)N1CC[C@H]([NH3+])[C@H](C)C1 ZINC000309506100 350678935 /nfs/dbraw/zinc/67/89/35/350678935.db2.gz VWVYYWGDYGWZAR-UTLUCORTSA-N 1 3 213.325 0.310 10 0 BCAEHO C[C@@](O)(CN)C[N@@H+]1CCCSCC1 ZINC000306683607 350841080 /nfs/dbraw/zinc/84/10/80/350841080.db2.gz WNOQRYSBBZRLCL-SECBINFHSA-N 1 3 204.339 0.135 10 0 BCAEHO C[C@@](O)(CN)C[N@H+]1CCCSCC1 ZINC000306683607 350841085 /nfs/dbraw/zinc/84/10/85/350841085.db2.gz WNOQRYSBBZRLCL-SECBINFHSA-N 1 3 204.339 0.135 10 0 BCAEHO C[C@@](O)(C[NH3+])CN1CCCSCC1 ZINC000306683607 350841090 /nfs/dbraw/zinc/84/10/90/350841090.db2.gz WNOQRYSBBZRLCL-SECBINFHSA-N 1 3 204.339 0.135 10 0 BCAEHO CCC[C@H](N)C(=O)NC[C@H](C)[NH+]1CCCC1 ZINC000161075425 351026034 /nfs/dbraw/zinc/02/60/34/351026034.db2.gz QMNCBEMYGSFEQB-QWRGUYRKSA-N 1 3 227.352 0.714 10 0 BCAEHO NCC[N@@H+]1CCCC[C@H](n2ccnc2)C1 ZINC000616628799 351099683 /nfs/dbraw/zinc/09/96/83/351099683.db2.gz RGPMJCPYNHHPFR-NSHDSACASA-N 1 3 208.309 0.869 10 0 BCAEHO NCC[N@H+]1CCCC[C@H](n2ccnc2)C1 ZINC000616628799 351099687 /nfs/dbraw/zinc/09/96/87/351099687.db2.gz RGPMJCPYNHHPFR-NSHDSACASA-N 1 3 208.309 0.869 10 0 BCAEHO [NH3+]CCN1CCN[C@@H](c2ccc(F)cc2)C1 ZINC000616653748 351193976 /nfs/dbraw/zinc/19/39/76/351193976.db2.gz HWPSGQRGUHGNSW-GFCCVEGCSA-N 1 3 223.295 0.731 10 0 BCAEHO CC[NH2+][C@H](C)C(=O)N(C)C[C@@H]1CCCN1CC ZINC000638109563 351986442 /nfs/dbraw/zinc/98/64/42/351986442.db2.gz UWXPRXIJIAPGFE-NEPJUHHUSA-N 1 3 241.379 0.927 10 0 BCAEHO CC[NH2+][C@@H](C)C(=O)N(C)C[C@@H]1CCCN1CC ZINC000638109565 351986740 /nfs/dbraw/zinc/98/67/40/351986740.db2.gz UWXPRXIJIAPGFE-RYUDHWBXSA-N 1 3 241.379 0.927 10 0 BCAEHO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)C(C)(C)N ZINC000083889418 352049972 /nfs/dbraw/zinc/04/99/72/352049972.db2.gz RTPNTKDUAHJUPZ-SNVBAGLBSA-N 1 3 227.352 0.666 10 0 BCAEHO CC[N@H+]1CCC[C@@H]1CN(C)C(=O)C(C)(C)N ZINC000083889418 352049975 /nfs/dbraw/zinc/04/99/75/352049975.db2.gz RTPNTKDUAHJUPZ-SNVBAGLBSA-N 1 3 227.352 0.666 10 0 BCAEHO C[C@H]1CN(C(=O)C2CCN(C)CC2)C[C@@H]1C[NH3+] ZINC000638895015 353056113 /nfs/dbraw/zinc/05/61/13/353056113.db2.gz QSJDCYYBXCDVEE-JQWIXIFHSA-N 1 3 239.363 0.381 10 0 BCAEHO CC(C)C[C@H](C[NH+](C)C)NC(=O)CNC1CC1 ZINC000037609223 188287252 /nfs/dbraw/zinc/28/72/52/188287252.db2.gz QBNQYBPQNXRWHN-GFCCVEGCSA-N 1 3 241.379 0.831 10 0 BCAEHO CCN1CCC[C@@H]1CNC(=O)[C@H]1CCC[NH2+]C1 ZINC000161853899 353302076 /nfs/dbraw/zinc/30/20/76/353302076.db2.gz NEUYQFLDSSDPKS-NWDGAFQWSA-N 1 3 239.363 0.587 10 0 BCAEHO CNCC(=O)NC[C@H]1CCC[N@@H+]1CC(C)C ZINC000193137123 353572073 /nfs/dbraw/zinc/57/20/73/353572073.db2.gz NOFWXJQUPAPFBA-LLVKDONJSA-N 1 3 227.352 0.442 10 0 BCAEHO CNCC(=O)NC[C@H]1CCC[N@H+]1CC(C)C ZINC000193137123 353572075 /nfs/dbraw/zinc/57/20/75/353572075.db2.gz NOFWXJQUPAPFBA-LLVKDONJSA-N 1 3 227.352 0.442 10 0 BCAEHO CCN1CCC[C@H](NC(=O)[C@]2(C)CC[NH2+]C2)C1 ZINC000062898884 353573403 /nfs/dbraw/zinc/57/34/03/353573403.db2.gz CVTXZLYHMCHHKH-WCQYABFASA-N 1 3 239.363 0.587 10 0 BCAEHO N=C(NC(N)=[NH2+])c1c[nH]c2ccccc12 ZINC000238579949 181190403 /nfs/dbraw/zinc/19/04/03/181190403.db2.gz VQQSHUFBDIDECF-UHFFFAOYSA-N 1 3 201.233 0.976 10 0 BCAEHO NC(=[NH2+])c1ccccc1CN1CCC[C@@H]1CO ZINC000042432924 181195861 /nfs/dbraw/zinc/19/58/61/181195861.db2.gz GKVIZIMYPOXICD-LLVKDONJSA-N 1 3 233.315 0.927 10 0 BCAEHO NC(=O)C1CC[NH+]([C@@H]2CCC[C@H]2N)CC1 ZINC000040431147 181218106 /nfs/dbraw/zinc/21/81/06/181218106.db2.gz MHPQGWMFHPHOEA-NXEZZACHSA-N 1 3 211.309 0.064 10 0 BCAEHO CCC(CC)[NH2+]C[C@]12C[C@@]1(C(=O)OC)CNC2 ZINC000675073171 538504910 /nfs/dbraw/zinc/50/49/10/538504910.db2.gz GQFJRKYGHQCVOJ-OLZOCXBDSA-N 1 3 240.347 0.917 10 0 BCAEHO CCC(CC)NC[C@]12C[C@@]1(C(=O)OC)C[NH2+]C2 ZINC000675073171 538504912 /nfs/dbraw/zinc/50/49/12/538504912.db2.gz GQFJRKYGHQCVOJ-OLZOCXBDSA-N 1 3 240.347 0.917 10 0 BCAEHO COC(=O)[C@@]12C[C@]1(C[NH2+]CC(C)C)CNC2 ZINC000675073552 538505845 /nfs/dbraw/zinc/50/58/45/538505845.db2.gz LBXYBVWNCLMRGD-RYUDHWBXSA-N 1 3 226.320 0.385 10 0 BCAEHO COC(=O)[C@@]12C[C@]1(CNCC(C)C)C[NH2+]C2 ZINC000675073552 538505848 /nfs/dbraw/zinc/50/58/48/538505848.db2.gz LBXYBVWNCLMRGD-RYUDHWBXSA-N 1 3 226.320 0.385 10 0 BCAEHO COCCCN[C@H]1C[C@@H]([NH3+])C12CCOCC2 ZINC000675079868 538518702 /nfs/dbraw/zinc/51/87/02/538518702.db2.gz JKTPWBLBYSRMGJ-MNOVXSKESA-N 1 3 228.336 0.509 10 0 BCAEHO O=C(CC[NH2+]C1CC1)N1CCN2CCC[C@@H]2C1 ZINC000037812677 357204035 /nfs/dbraw/zinc/20/40/35/357204035.db2.gz XOXNAPUSNMAYOB-GFCCVEGCSA-N 1 3 237.347 0.435 10 0 BCAEHO c1ncn(CCN[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)n1 ZINC000394295463 357351331 /nfs/dbraw/zinc/35/13/31/357351331.db2.gz PHYAWPHEJWOIGH-UPJWGTAASA-N 1 3 249.362 0.788 10 0 BCAEHO CC(C)NCc1cnn2c1C[C@@H]([NH3+])CC2 ZINC000685947448 538889304 /nfs/dbraw/zinc/88/93/04/538889304.db2.gz VPYZOMBANDLUSL-JTQLQIEISA-N 1 3 208.309 0.655 10 0 BCAEHO CCC[C@@H](C(=O)N1CC[C@H]([NH+](C)C)C1)N(C)C ZINC000133055585 325263865 /nfs/dbraw/zinc/26/38/65/325263865.db2.gz SIAMNQFQKKEOGF-RYUDHWBXSA-N 1 3 241.379 0.879 10 0 BCAEHO CCN(CCNC(=O)[C@@H](C)[NH2+]C)C1CC1 ZINC000219907177 358010739 /nfs/dbraw/zinc/01/07/39/358010739.db2.gz SLESAXKRLIISID-SECBINFHSA-N 1 3 213.325 0.195 10 0 BCAEHO C1CC1N1CC[C@@H](N[C@@H]2CCC[NH2+]CC2)C1 ZINC000168742086 134247839 /nfs/dbraw/zinc/24/78/39/134247839.db2.gz XRAGHHIXYQXNAA-VXGBXAGGSA-N 1 3 223.364 0.955 10 0 BCAEHO [NH3+][C@H]1CCCN(C(=O)[C@H]2CCCCN2)C1 ZINC000170786926 134253986 /nfs/dbraw/zinc/25/39/86/134253986.db2.gz JMOPRCGYUUJHOU-VHSXEESVSA-N 1 3 211.309 0.078 10 0 BCAEHO C[C@H]([NH2+][C@@H]1CCC[C@H]1O)[C@@H]1CCCNC1 ZINC000584833944 358196942 /nfs/dbraw/zinc/19/69/42/358196942.db2.gz XLRJVAYJBBIUKF-IRCOFANPSA-N 1 3 212.337 0.878 10 0 BCAEHO C[C@H](N[C@@H]1CCC[C@H]1O)[C@@H]1CCC[NH2+]C1 ZINC000584833944 358196947 /nfs/dbraw/zinc/19/69/47/358196947.db2.gz XLRJVAYJBBIUKF-IRCOFANPSA-N 1 3 212.337 0.878 10 0 BCAEHO CCC[C@H](N)C(=O)NC[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000040624502 358243876 /nfs/dbraw/zinc/24/38/76/358243876.db2.gz BWVKWBPMZUUGLP-RYUDHWBXSA-N 1 3 241.379 0.960 10 0 BCAEHO CCC[C@H](N)C(=O)NC[C@@H]1CC[N@H+](C(C)C)C1 ZINC000040624502 358243878 /nfs/dbraw/zinc/24/38/78/358243878.db2.gz BWVKWBPMZUUGLP-RYUDHWBXSA-N 1 3 241.379 0.960 10 0 BCAEHO CN1CCC[C@@H]1CNC(=O)[C@@]1(C)CCC[NH2+]1 ZINC000227432766 358357687 /nfs/dbraw/zinc/35/76/87/358357687.db2.gz UFPKXUKDCPAQTK-ZYHUDNBSSA-N 1 3 225.336 0.339 10 0 BCAEHO CCC[C@@H](C(=O)NCC[NH+](C)C)N(C)C ZINC000131937614 358701765 /nfs/dbraw/zinc/70/17/65/358701765.db2.gz OVALETZGFXKFBI-JTQLQIEISA-N 1 3 215.341 0.395 10 0 BCAEHO C1Cc2nc(N3CC[NH2+]CC3)sc2CN1 ZINC000536960574 360014063 /nfs/dbraw/zinc/01/40/63/360014063.db2.gz RSFSUCIJDXEJST-UHFFFAOYSA-N 1 3 224.333 0.198 10 0 BCAEHO C[C@@H](O)CN(C)[C@H]1CC[NH2+]CC1(C)C ZINC000300811064 360517027 /nfs/dbraw/zinc/51/70/27/360517027.db2.gz HDCUBOFKCNOEEC-ZJUUUORDSA-N 1 3 200.326 0.687 10 0 BCAEHO C[C@@H](O)C[N@H+](C)[C@H]1CCNCC1(C)C ZINC000300811064 360517029 /nfs/dbraw/zinc/51/70/29/360517029.db2.gz HDCUBOFKCNOEEC-ZJUUUORDSA-N 1 3 200.326 0.687 10 0 BCAEHO C[C@@H](O)C[N@@H+](C)[C@H]1CCNCC1(C)C ZINC000300811064 360517033 /nfs/dbraw/zinc/51/70/33/360517033.db2.gz HDCUBOFKCNOEEC-ZJUUUORDSA-N 1 3 200.326 0.687 10 0 BCAEHO NCC(=O)N1CCC2(C1)CCC([NH3+])CC2 ZINC000095077468 181347820 /nfs/dbraw/zinc/34/78/20/181347820.db2.gz HDVWMJFWDUVADN-UHFFFAOYSA-N 1 3 211.309 0.065 10 0 BCAEHO CO[C@H]1CN(CC2CCOCC2)[C@](C)(C[NH3+])C1 ZINC000630363727 364078937 /nfs/dbraw/zinc/07/89/37/364078937.db2.gz QXJZYDPBPOEWBV-OLZOCXBDSA-N 1 3 242.363 0.851 10 0 BCAEHO CO[C@@H]1CN(C[C@@H]2CCOC2)[C@@](C)(C[NH3+])C1 ZINC000630357861 364079690 /nfs/dbraw/zinc/07/96/90/364079690.db2.gz GAXFCQASWOPMKY-SDDRHHMPSA-N 1 3 228.336 0.461 10 0 BCAEHO NCC1(C[N@@H+]2CC[C@H](O)C2)CCCCC1 ZINC000061711829 181358819 /nfs/dbraw/zinc/35/88/19/181358819.db2.gz YFDQFUUKZJFNLW-NSHDSACASA-N 1 3 212.337 0.962 10 0 BCAEHO NCC1(C[N@H+]2CC[C@H](O)C2)CCCCC1 ZINC000061711829 181358820 /nfs/dbraw/zinc/35/88/20/181358820.db2.gz YFDQFUUKZJFNLW-NSHDSACASA-N 1 3 212.337 0.962 10 0 BCAEHO [NH3+]CCCCN1CCN(Cc2ccncc2)CC1 ZINC000037039853 181375920 /nfs/dbraw/zinc/37/59/20/181375920.db2.gz BULKAEYVHQLJIR-UHFFFAOYSA-N 1 3 248.374 0.938 10 0 BCAEHO [NH3+]CC[C@@H](O)CNCc1ccc2c(c1)OCO2 ZINC000071548724 181402655 /nfs/dbraw/zinc/40/26/55/181402655.db2.gz KYYUPZACPWXQKH-SNVBAGLBSA-N 1 3 238.287 0.215 10 0 BCAEHO CCC[C@H](N)C(=O)N1CCC([NH2+]C)CC1 ZINC000381337577 367382814 /nfs/dbraw/zinc/38/28/14/367382814.db2.gz WJRNUROTACNXEZ-JTQLQIEISA-N 1 3 213.325 0.324 10 0 BCAEHO CCC[C@H](N)C(=O)N[C@@H](C)CCCC[NH3+] ZINC000381457459 367409060 /nfs/dbraw/zinc/40/90/60/367409060.db2.gz JVENDNCTJQIIOU-UWVGGRQHSA-N 1 3 215.341 0.748 10 0 BCAEHO C[C@H](NC1CC1)C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000383213311 367607103 /nfs/dbraw/zinc/60/71/03/367607103.db2.gz ZIZHWLSYOZRTMN-GXSJLCMTSA-N 1 3 225.336 0.289 10 0 BCAEHO O=C1CCNCCN1CCC[NH+]1CCCCC1 ZINC000114479494 368942804 /nfs/dbraw/zinc/94/28/04/368942804.db2.gz UPUMSBFYYOMUPC-UHFFFAOYSA-N 1 3 239.363 0.684 10 0 BCAEHO C[C@H](O)[C@H](C)N1CCC[C@@H](C)[C@@H]1C[NH3+] ZINC000227485011 371873480 /nfs/dbraw/zinc/87/34/80/371873480.db2.gz IMFDRVVYKIDLQV-RCWTZXSCSA-N 1 3 200.326 0.815 10 0 BCAEHO C[C@H](C[NH3+])NC1CC(NC(=O)OC(C)(C)C)C1 ZINC000227581044 371900302 /nfs/dbraw/zinc/90/03/02/371900302.db2.gz CPDSNCBDVQCWMQ-XNWIYYODSA-N 1 3 243.351 0.979 10 0 BCAEHO C[C@@H]1CN(CCc2cnn(C)c2)C[C@@H]1C[NH3+] ZINC000631837739 372629537 /nfs/dbraw/zinc/62/95/37/372629537.db2.gz DSMXOYCIZOHLEP-PWSUYJOCSA-N 1 3 222.336 0.489 10 0 BCAEHO C[C@@H]1CN(CCn2cccn2)C[C@@H]1C[NH3+] ZINC000631838348 372632477 /nfs/dbraw/zinc/63/24/77/372632477.db2.gz MTGKWWWZHARFAT-MNOVXSKESA-N 1 3 208.309 0.410 10 0 BCAEHO CCOCCC[N@@H+]1C[C@@H](C)[C@@H](CN)C1 ZINC000631839192 372634690 /nfs/dbraw/zinc/63/46/90/372634690.db2.gz BQOKTBCBSJQOAW-MNOVXSKESA-N 1 3 200.326 0.940 10 0 BCAEHO CCOCCC[N@H+]1C[C@@H](C)[C@@H](CN)C1 ZINC000631839192 372634695 /nfs/dbraw/zinc/63/46/95/372634695.db2.gz BQOKTBCBSJQOAW-MNOVXSKESA-N 1 3 200.326 0.940 10 0 BCAEHO C[C@H]1CCC[C@@H](C[NH3+])N1CC(C)(C)O ZINC000069722917 373653097 /nfs/dbraw/zinc/65/30/97/373653097.db2.gz ODRGMKGGYRTEKX-UWVGGRQHSA-N 1 3 200.326 0.959 10 0 BCAEHO O=C(NCCN1CCCCCC1)[C@H]1CCC[NH2+]1 ZINC000040433045 182185742 /nfs/dbraw/zinc/18/57/42/182185742.db2.gz FWEJWKWTKOIGHZ-GFCCVEGCSA-N 1 3 239.363 0.731 10 0 BCAEHO OCCCN1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000037917711 183055302 /nfs/dbraw/zinc/05/53/02/183055302.db2.gz YPBFTFSJSRGUNH-RYUDHWBXSA-N 1 3 212.337 0.833 10 0 BCAEHO CCCC[C@H](N)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]12 ZINC000037619606 169008319 /nfs/dbraw/zinc/00/83/19/169008319.db2.gz FYNUHFFKMGPEOB-QJPTWQEYSA-N 1 3 239.363 0.857 10 0 BCAEHO CCCC[C@H](N)C(=O)N[C@@H]1CC[N@H+]2CCC[C@H]12 ZINC000037619606 169008321 /nfs/dbraw/zinc/00/83/21/169008321.db2.gz FYNUHFFKMGPEOB-QJPTWQEYSA-N 1 3 239.363 0.857 10 0 BCAEHO CCCN1CCN([C@H](C[NH3+])[C@H]2CCOC2)CC1 ZINC000022209516 169202998 /nfs/dbraw/zinc/20/29/98/169202998.db2.gz LNBZJGRJVQYTPR-QWHCGFSZSA-N 1 3 241.379 0.378 10 0 BCAEHO CCC[C@@H](N)C(=O)NCCC[NH+](CC)CC ZINC000036872887 169388765 /nfs/dbraw/zinc/38/87/65/169388765.db2.gz JNKMRBFIHABHRM-LLVKDONJSA-N 1 3 229.368 0.962 10 0 BCAEHO CCC[C@@H](N)C(=O)NCC[N@@H+]1CCC[C@@H](C)C1 ZINC000236945624 169388958 /nfs/dbraw/zinc/38/89/58/169388958.db2.gz GXKSXNBTHMELBS-VXGBXAGGSA-N 1 3 241.379 0.962 10 0 BCAEHO CCC[C@@H](N)C(=O)NCC[N@H+]1CCC[C@@H](C)C1 ZINC000236945624 169388959 /nfs/dbraw/zinc/38/89/59/169388959.db2.gz GXKSXNBTHMELBS-VXGBXAGGSA-N 1 3 241.379 0.962 10 0 BCAEHO CCC[C@@H](N)C(=O)NC[C@@H]1CCC[N@@H+]1CC ZINC000036872929 169389178 /nfs/dbraw/zinc/38/91/78/169389178.db2.gz XNOLNNSSXDBVBD-WDEREUQCSA-N 1 3 227.352 0.714 10 0 BCAEHO CCC[C@@H](N)C(=O)NC[C@@H]1CCC[N@H+]1CC ZINC000036872929 169389179 /nfs/dbraw/zinc/38/91/79/169389179.db2.gz XNOLNNSSXDBVBD-WDEREUQCSA-N 1 3 227.352 0.714 10 0 BCAEHO COC(=O)CCN1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000070534452 383936016 /nfs/dbraw/zinc/93/60/16/383936016.db2.gz XJSHNLRNDCIBPB-UWVGGRQHSA-N 1 3 214.309 0.609 10 0 BCAEHO C[C@H](N)C(=O)N1CCC2(C1)CCC(C[NH3+])CC2 ZINC000095088830 384361554 /nfs/dbraw/zinc/36/15/54/384361554.db2.gz SNZZVNYVPBZNKT-ZBOXLXRLSA-N 1 3 239.363 0.701 10 0 BCAEHO Cc1cn[nH]c1CN1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000647512641 384412330 /nfs/dbraw/zinc/41/23/30/384412330.db2.gz NYHGOZNMGGKHKD-HBNTYKKESA-N 1 3 220.320 0.887 10 0 BCAEHO C[C@H]([NH3+])CCC(=O)N1CCN2CCC[C@@H]2C1 ZINC000069839515 384386870 /nfs/dbraw/zinc/38/68/70/384386870.db2.gz KJWHFDUZICYSGN-WDEREUQCSA-N 1 3 225.336 0.420 10 0 BCAEHO CCCC[N@H+](C)CCNC(=O)[C@H](N)CCC ZINC000236712996 384557557 /nfs/dbraw/zinc/55/75/57/384557557.db2.gz VGVSBKUVLAUXCU-LLVKDONJSA-N 1 3 229.368 0.962 10 0 BCAEHO CCCC[N@@H+](C)CCNC(=O)[C@H](N)CCC ZINC000236712996 384557566 /nfs/dbraw/zinc/55/75/66/384557566.db2.gz VGVSBKUVLAUXCU-LLVKDONJSA-N 1 3 229.368 0.962 10 0 BCAEHO [NH3+]C[C@H]1CCN(Cc2ccccc2)C[C@H]1O ZINC000076648383 384698082 /nfs/dbraw/zinc/69/80/82/384698082.db2.gz RRDGDEYDSHWRTM-CHWSQXEVSA-N 1 3 220.316 0.828 10 0 BCAEHO N[C@@H](CC(F)F)C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000335919104 384707984 /nfs/dbraw/zinc/70/79/84/384707984.db2.gz HJXJOSAXJQFDLF-BDAKNGLRSA-N 1 3 247.289 0.276 10 0 BCAEHO N[C@@H](CC(F)F)C(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000335919104 384707988 /nfs/dbraw/zinc/70/79/88/384707988.db2.gz HJXJOSAXJQFDLF-BDAKNGLRSA-N 1 3 247.289 0.276 10 0 BCAEHO COC(=O)CCN1C[C@@H](C[NH3+])C[C@H]1C ZINC000126916450 384828720 /nfs/dbraw/zinc/82/87/20/384828720.db2.gz MKLMWHYCKQSZJE-RKDXNWHRSA-N 1 3 200.282 0.219 10 0 BCAEHO C[NH+](C)[C@@H]1CCN(C(=O)[C@@H](N)C2CCC2)C1 ZINC000335050912 384783960 /nfs/dbraw/zinc/78/39/60/384783960.db2.gz LDNLIPROXPNRAD-MNOVXSKESA-N 1 3 225.336 0.276 10 0 BCAEHO C[C@@H]1C[C@H](NC(=O)[C@H]2CCC[NH2+]C2)CCN1C ZINC000157824670 385290940 /nfs/dbraw/zinc/29/09/40/385290940.db2.gz TVIMEBFVRVYYOQ-GRYCIOLGSA-N 1 3 239.363 0.585 10 0 BCAEHO C[C@H](NC[C@@H](O)C[N@H+](C)C1CC1)[C@@H]1CCCO1 ZINC000336677015 385606980 /nfs/dbraw/zinc/60/69/80/385606980.db2.gz CIVDZQZSSWLOHO-UHTWSYAYSA-N 1 3 242.363 0.599 10 0 BCAEHO C[C@H](NC[C@@H](O)C[N@@H+](C)C1CC1)[C@@H]1CCCO1 ZINC000336677015 385606986 /nfs/dbraw/zinc/60/69/86/385606986.db2.gz CIVDZQZSSWLOHO-UHTWSYAYSA-N 1 3 242.363 0.599 10 0 BCAEHO CN(C)C[C@@H]1CCCN1C(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000091539738 386299793 /nfs/dbraw/zinc/29/97/93/386299793.db2.gz RVYHMNRSLRTUGI-SRVKXCTJSA-N 1 3 239.363 0.666 10 0 BCAEHO C[NH+](C)C[C@H]1CCN(CC(C)(C)O)C1 ZINC000114477767 386782879 /nfs/dbraw/zinc/78/28/79/386782879.db2.gz FRGTZUGWBZNDHN-SNVBAGLBSA-N 1 3 200.326 0.641 10 0 BCAEHO CN(C)[C@H]1CCN(C(=O)C[C@H]2CCC[NH2+]2)C1 ZINC000062972110 387190496 /nfs/dbraw/zinc/19/04/96/387190496.db2.gz JHYOYKGRFFTHKB-MNOVXSKESA-N 1 3 225.336 0.291 10 0 BCAEHO C[C@@H]1CN(C)C[C@@H]1N[C@@H]1CCC[NH2+][C@H]1C ZINC000423396609 387231837 /nfs/dbraw/zinc/23/18/37/387231837.db2.gz UIGVRVWJLONNLF-KXNHARMFSA-N 1 3 211.353 0.667 10 0 BCAEHO C[C@@H]1CN(C)C[C@@H]1N[C@H]1CCC[NH2+][C@@H]1C ZINC000423396614 387232838 /nfs/dbraw/zinc/23/28/38/387232838.db2.gz UIGVRVWJLONNLF-WYUUTHIRSA-N 1 3 211.353 0.667 10 0 BCAEHO COC(=O)C(C)(C)CN[C@H](C)[C@@H]1CC[NH2+]C1 ZINC000400716882 387581708 /nfs/dbraw/zinc/58/17/08/387581708.db2.gz NMJORRWVWSEUDW-NXEZZACHSA-N 1 3 228.336 0.773 10 0 BCAEHO CC(C)C[C@H](C[NH+](C)C)NC(=O)C1(N)CC1 ZINC000083834499 388063254 /nfs/dbraw/zinc/06/32/54/388063254.db2.gz JDKZTNQUIZXWFI-SNVBAGLBSA-N 1 3 227.352 0.570 10 0 BCAEHO C[C@H]([NH3+])[C@H](C)C(=O)N1CC[C@H](N(C)C)C1 ZINC000165440689 388402737 /nfs/dbraw/zinc/40/27/37/388402737.db2.gz ZJPDSVBDMJYIJN-GUBZILKMSA-N 1 3 213.325 0.132 10 0 BCAEHO Nc1nc(N)c2c(cccc2N2CC[NH2+]CC2)n1 ZINC000019408011 132249696 /nfs/dbraw/zinc/24/96/96/132249696.db2.gz NAILVTIXZFHLKO-UHFFFAOYSA-N 1 3 244.302 0.204 10 0 BCAEHO C[NH2+]Cc1ccc(N2CCNCC2)nc1 ZINC000040538658 132296303 /nfs/dbraw/zinc/29/63/03/132296303.db2.gz OPIFTSOHGGMYHX-UHFFFAOYSA-N 1 3 206.293 0.211 10 0 BCAEHO [NH3+][C@@H]1CC[C@H](C(=O)NCCN2CCCC2)C1 ZINC000085010222 134221070 /nfs/dbraw/zinc/22/10/70/134221070.db2.gz VUDLTDDOSIBJBI-WDEREUQCSA-N 1 3 225.336 0.326 10 0 BCAEHO NC1(C(=O)N2CCC[C@H]([NH3+])C2)CCCC1 ZINC000170786943 134253919 /nfs/dbraw/zinc/25/39/19/134253919.db2.gz IWADRCPCQVXXHI-VIFPVBQESA-N 1 3 211.309 0.208 10 0 BCAEHO CN(C)[C@@H]1CCN(C(=O)[C@H]2CCC[NH2+]C2)C1 ZINC000062972183 134463708 /nfs/dbraw/zinc/46/37/08/134463708.db2.gz PRQITFHJMDSCLR-WDEREUQCSA-N 1 3 225.336 0.149 10 0 BCAEHO CC(C)[N@@H+]1C[C@H](C)[C@H](N[C@H](C)CC(N)=O)C1 ZINC000252726982 135103017 /nfs/dbraw/zinc/10/30/17/135103017.db2.gz JUOFMTDZVJMFKO-HBNTYKKESA-N 1 3 227.352 0.569 10 0 BCAEHO CC(C)[N@H+]1C[C@H](C)[C@H](N[C@H](C)CC(N)=O)C1 ZINC000252726982 135103018 /nfs/dbraw/zinc/10/30/18/135103018.db2.gz JUOFMTDZVJMFKO-HBNTYKKESA-N 1 3 227.352 0.569 10 0 BCAEHO C[C@@H]1C(=O)NCCCN1CC1CC[NH2+]CC1 ZINC000257784904 135142032 /nfs/dbraw/zinc/14/20/32/135142032.db2.gz LHIIHNZMRSXOFE-SNVBAGLBSA-N 1 3 225.336 0.196 10 0 BCAEHO CC1(C)CN(C[C@H]2CCC[NH2+]C2)C[C@@H]1O ZINC000261545440 135148551 /nfs/dbraw/zinc/14/85/51/135148551.db2.gz JZOBFWKSMRUWJX-QWRGUYRKSA-N 1 3 212.337 0.689 10 0 BCAEHO CC1(C)C[N@H+](C[C@H]2CCCNC2)C[C@@H]1O ZINC000261545440 135148552 /nfs/dbraw/zinc/14/85/52/135148552.db2.gz JZOBFWKSMRUWJX-QWRGUYRKSA-N 1 3 212.337 0.689 10 0 BCAEHO CC1(C)C[N@@H+](C[C@H]2CCCNC2)C[C@@H]1O ZINC000261545440 135148553 /nfs/dbraw/zinc/14/85/53/135148553.db2.gz JZOBFWKSMRUWJX-QWRGUYRKSA-N 1 3 212.337 0.689 10 0 BCAEHO COC(=O)CCN1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000261537991 135175446 /nfs/dbraw/zinc/17/54/46/135175446.db2.gz WZWMVDJHMPTEFK-GUBZILKMSA-N 1 3 212.293 0.219 10 0 BCAEHO CC1(C)CC[C@H](NC[C@@H]2C[NH2+]C[C@@H]2O)C1 ZINC000261552628 135191544 /nfs/dbraw/zinc/19/15/44/135191544.db2.gz RPVXMTMQMQLGPN-DCAQKATOSA-N 1 3 212.337 0.735 10 0 BCAEHO CC1(C)CC[C@H]([NH2+]C[C@@H]2CNC[C@@H]2O)C1 ZINC000261552628 135191545 /nfs/dbraw/zinc/19/15/45/135191545.db2.gz RPVXMTMQMQLGPN-DCAQKATOSA-N 1 3 212.337 0.735 10 0 BCAEHO CCC[C@H](N)C(=O)NC(CC)(CC)C[NH3+] ZINC000261559351 135200172 /nfs/dbraw/zinc/20/01/72/135200172.db2.gz YWZKYANPGQHAFD-VIFPVBQESA-N 1 3 215.341 0.748 10 0 BCAEHO C[C@@H]1[C@H]([NH3+])CCN1C(=O)[C@@H]1CCCCN1 ZINC000261562314 135203662 /nfs/dbraw/zinc/20/36/62/135203662.db2.gz BFNXYOQBTDZJRA-BBBLOLIVSA-N 1 3 211.309 0.077 10 0 BCAEHO Cc1cnn(CCN2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)c1 ZINC000261565841 135207552 /nfs/dbraw/zinc/20/75/52/135207552.db2.gz YORJQCWYAQUCTK-YNEHKIRRSA-N 1 3 234.347 0.861 10 0 BCAEHO CC1CCC(NC[C@@H]2C[NH2+]C[C@@H]2O)CC1 ZINC000261548165 135242014 /nfs/dbraw/zinc/24/20/14/135242014.db2.gz NFEGUNRHTPAEJG-ADPBJBESSA-N 1 3 212.337 0.735 10 0 BCAEHO CC1CCC([NH2+]C[C@@H]2CNC[C@@H]2O)CC1 ZINC000261548165 135242016 /nfs/dbraw/zinc/24/20/16/135242016.db2.gz NFEGUNRHTPAEJG-ADPBJBESSA-N 1 3 212.337 0.735 10 0 BCAEHO CC1CCC(NC[C@H]2C[NH2+]C[C@H]2O)CC1 ZINC000261548168 135242083 /nfs/dbraw/zinc/24/20/83/135242083.db2.gz NFEGUNRHTPAEJG-RUJICJSRSA-N 1 3 212.337 0.735 10 0 BCAEHO CC1CCC([NH2+]C[C@H]2CNC[C@H]2O)CC1 ZINC000261548168 135242084 /nfs/dbraw/zinc/24/20/84/135242084.db2.gz NFEGUNRHTPAEJG-RUJICJSRSA-N 1 3 212.337 0.735 10 0 BCAEHO CC[C@H](N)C(=O)N1CC[C@@H](C)C[C@@H]1C[NH3+] ZINC000261761729 135250646 /nfs/dbraw/zinc/25/06/46/135250646.db2.gz JTTICXYMTBGYGD-BBBLOLIVSA-N 1 3 213.325 0.310 10 0 BCAEHO CC[C@H](N)C(=O)N1CC[C@H](C)C[C@@H]1C[NH3+] ZINC000261761726 135250882 /nfs/dbraw/zinc/25/08/82/135250882.db2.gz JTTICXYMTBGYGD-AEJSXWLSSA-N 1 3 213.325 0.310 10 0 BCAEHO C[C@@H]1NCCN(C(=O)[C@@H]2CCC[C@@H]2C[NH3+])[C@H]1C ZINC000261805846 135254612 /nfs/dbraw/zinc/25/46/12/135254612.db2.gz MYZPKGSIKPQSKM-NNYUYHANSA-N 1 3 239.363 0.570 10 0 BCAEHO CC[C@H](C)[C@@H](N)C(=O)N1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261984321 135269329 /nfs/dbraw/zinc/26/93/29/135269329.db2.gz MIVBCYBZJGXZFE-GARJFASQSA-N 1 3 241.379 0.946 10 0 BCAEHO NC1(C(=O)N[C@@H]2CCC[C@@H]2C[NH3+])CCCC1 ZINC000262438431 135299241 /nfs/dbraw/zinc/29/92/41/135299241.db2.gz MRRRFSCJNFSYSS-NXEZZACHSA-N 1 3 225.336 0.502 10 0 BCAEHO CCC[C@H](N)C(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000262438441 135299569 /nfs/dbraw/zinc/29/95/69/135299569.db2.gz MRXQKUBWYBAVIQ-OUAUKWLOSA-N 1 3 227.352 0.748 10 0 BCAEHO C[C@@H]1CC[C@H](NC[C@@H]2C[NH2+]C[C@H]2O)C[C@@H]1C ZINC000263154556 135336329 /nfs/dbraw/zinc/33/63/29/135336329.db2.gz DGNVAAJTQMFVKB-QNWJLWSRSA-N 1 3 226.364 0.981 10 0 BCAEHO C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CNC[C@H]2O)C[C@@H]1C ZINC000263154556 135336330 /nfs/dbraw/zinc/33/63/30/135336330.db2.gz DGNVAAJTQMFVKB-QNWJLWSRSA-N 1 3 226.364 0.981 10 0 BCAEHO O[C@@H]1C[NH2+]C[C@H]1CN[C@H]1CCc2ccccc2C1 ZINC000263207357 135339122 /nfs/dbraw/zinc/33/91/22/135339122.db2.gz JXEWBWUFQUMXDU-SOUVJXGZSA-N 1 3 246.354 0.714 10 0 BCAEHO C[C@H]1C[C@H]([NH2+]C[C@H]2CNC[C@@H]2O)C[C@@H](C)C1 ZINC000263216367 135340493 /nfs/dbraw/zinc/34/04/93/135340493.db2.gz KZDYMRZWFSKAJE-FHUSYTEZSA-N 1 3 226.364 0.981 10 0 BCAEHO C[C@H]1C[C@H](NC[C@H]2C[NH2+]C[C@@H]2O)C[C@@H](C)C1 ZINC000263216367 135340494 /nfs/dbraw/zinc/34/04/94/135340494.db2.gz KZDYMRZWFSKAJE-FHUSYTEZSA-N 1 3 226.364 0.981 10 0 BCAEHO CC(C)N(C)C[C@H](O)C[NH2+][C@@H](C)[C@H]1CCCO1 ZINC000380153564 397781433 /nfs/dbraw/zinc/78/14/33/397781433.db2.gz SNDAEPRPPHNIBE-YNEHKIRRSA-N 1 3 244.379 0.845 10 0 BCAEHO CC[C@H](C)[C@@H](N)C(=O)N1CC[C@H](C[NH3+])C1 ZINC000178575778 397801824 /nfs/dbraw/zinc/80/18/24/397801824.db2.gz ZVVILCXIDXLPSM-IVZWLZJFSA-N 1 3 213.325 0.167 10 0 BCAEHO CCC[C@H](N)C(=O)NCC[N@H+](C)C(C)C ZINC000054133641 397904086 /nfs/dbraw/zinc/90/40/86/397904086.db2.gz UUYWYCUYTQQMEN-JTQLQIEISA-N 1 3 215.341 0.570 10 0 BCAEHO CCC[C@H](N)C(=O)NCC[N@@H+](C)C(C)C ZINC000054133641 397904090 /nfs/dbraw/zinc/90/40/90/397904090.db2.gz UUYWYCUYTQQMEN-JTQLQIEISA-N 1 3 215.341 0.570 10 0 BCAEHO CN[C@H](C)C(=O)NC1CC[NH+](C(C)C)CC1 ZINC000054074183 398025028 /nfs/dbraw/zinc/02/50/28/398025028.db2.gz MCSJIPVCDAVDFQ-SNVBAGLBSA-N 1 3 227.352 0.583 10 0 BCAEHO CN1CCC[C@@H](NC(=O)CC[C@H]2CCC[NH2+]2)C1 ZINC000384071702 398064799 /nfs/dbraw/zinc/06/47/99/398064799.db2.gz VKNDFBBUWWRYIL-VXGBXAGGSA-N 1 3 239.363 0.729 10 0 BCAEHO CC(C)[NH2+][C@@H](CCO)[C@@H]1CCCNC1 ZINC000095088343 167131447 /nfs/dbraw/zinc/13/14/47/167131447.db2.gz SIIOWIUABZVWNY-MNOVXSKESA-N 1 3 200.326 0.735 10 0 BCAEHO CC(C)N[C@@H](CCO)[C@@H]1CCC[NH2+]C1 ZINC000095088343 167131452 /nfs/dbraw/zinc/13/14/52/167131452.db2.gz SIIOWIUABZVWNY-MNOVXSKESA-N 1 3 200.326 0.735 10 0 BCAEHO C[NH2+][C@@H](C)CNC(=O)[C@@H](N)C(C)(C)C ZINC000309104323 410249029 /nfs/dbraw/zinc/24/90/29/410249029.db2.gz HELWXIIUVSWKEO-JGVFFNPUSA-N 1 3 201.314 0.084 10 0 BCAEHO CC(C)N1C[C@@H](C)[C@@H](NC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000246449474 167027775 /nfs/dbraw/zinc/02/77/75/167027775.db2.gz OOZGOFOQFNZKJU-UTUOFQBUSA-N 1 3 239.363 0.583 10 0 BCAEHO C[C@@H]([NH2+]CC(C)(C)CO)[C@H]1CCCNC1 ZINC000643475084 411169526 /nfs/dbraw/zinc/16/95/26/411169526.db2.gz ZPUYRCWJEBJUSB-MNOVXSKESA-N 1 3 214.353 0.983 10 0 BCAEHO C[C@@H](NCC(C)(C)CO)[C@H]1CCC[NH2+]C1 ZINC000643475084 411169529 /nfs/dbraw/zinc/16/95/29/411169529.db2.gz ZPUYRCWJEBJUSB-MNOVXSKESA-N 1 3 214.353 0.983 10 0 BCAEHO CC(C)[C@H]([NH3+])CC(=O)N[C@H]1CCCN(C)C1 ZINC000128985272 411196067 /nfs/dbraw/zinc/19/60/67/411196067.db2.gz XOCJEJYRMVIMEB-WDEREUQCSA-N 1 3 227.352 0.570 10 0 BCAEHO CC(C)[C@@H]([NH3+])CC(=O)NCCN(C)C1CC1 ZINC000129050797 411216492 /nfs/dbraw/zinc/21/64/92/411216492.db2.gz ABZDRRWCVJAMCM-NSHDSACASA-N 1 3 227.352 0.570 10 0 BCAEHO CC(C)C[C@H](CO)NC[C@H](O)C[N@H+](C)C1CC1 ZINC000310217771 411225644 /nfs/dbraw/zinc/22/56/44/411225644.db2.gz FKTUCLGDWAUPAH-YPMHNXCESA-N 1 3 244.379 0.438 10 0 BCAEHO CC(C)C[C@H](CO)NC[C@H](O)C[N@@H+](C)C1CC1 ZINC000310217771 411225647 /nfs/dbraw/zinc/22/56/47/411225647.db2.gz FKTUCLGDWAUPAH-YPMHNXCESA-N 1 3 244.379 0.438 10 0 BCAEHO CCC(=O)N1CCCN(CCCC[NH3+])CC1 ZINC000037038493 168216850 /nfs/dbraw/zinc/21/68/50/168216850.db2.gz OGDWJCGWGYRZDS-UHFFFAOYSA-N 1 3 227.352 0.670 10 0 BCAEHO C[C@@H](CNC(=O)[C@@]1(C)CCC[NH2+]1)N(C)C ZINC000070618975 411440948 /nfs/dbraw/zinc/44/09/48/411440948.db2.gz 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228.336 0.212 10 0 BCAEHO CC[C@H](C)[NH2+]CC(=O)N1CCN2CCC[C@@H]2C1 ZINC000037812654 171339308 /nfs/dbraw/zinc/33/93/08/171339308.db2.gz ZNAQHFGEFHXMEW-NWDGAFQWSA-N 1 3 239.363 0.681 10 0 BCAEHO CC[C@H](C)[NH2+]C1(C(=O)[O-])CCNCC1 ZINC000040695450 171339662 /nfs/dbraw/zinc/33/96/62/171339662.db2.gz SSGYKBRXMPRAOE-QMMMGPOBSA-N 1 3 200.282 0.581 10 0 BCAEHO CC[C@H](C)[C@H](N)C(=O)N(C)C[C@H]1CC[N@H+](C)C1 ZINC000071189588 171393557 /nfs/dbraw/zinc/39/35/57/171393557.db2.gz UADINNRIFAAKSJ-SRVKXCTJSA-N 1 3 241.379 0.770 10 0 BCAEHO CC[C@H](C)[C@H](N)C(=O)N(C)C[C@H]1CC[N@@H+](C)C1 ZINC000071189588 171393560 /nfs/dbraw/zinc/39/35/60/171393560.db2.gz UADINNRIFAAKSJ-SRVKXCTJSA-N 1 3 241.379 0.770 10 0 BCAEHO CC[C@H](C)[C@H](N)C(=O)N[C@H](C)C[NH+]1CCCC1 ZINC000049184725 171395447 /nfs/dbraw/zinc/39/54/47/171395447.db2.gz FKNDEHSOFQIAPD-TUAOUCFPSA-N 1 3 241.379 0.960 10 0 BCAEHO CC(C)(C)N1CC[C@H](NC(=O)[C@@H]2CC[NH2+]C2)C1 ZINC000662621814 412244462 /nfs/dbraw/zinc/24/44/62/412244462.db2.gz 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AKBNKEOITRQFPH-UHFFFAOYSA-N 1 3 233.319 0.508 10 0 BCAEHO C[N@@H+]1CCC[C@H](C(=O)N2CCCNCC2)C1 ZINC000049474942 173039878 /nfs/dbraw/zinc/03/98/78/173039878.db2.gz MSBWTIVXWDEEBS-NSHDSACASA-N 1 3 225.336 0.150 10 0 BCAEHO C[N@H+]1CCC[C@H](C(=O)N2CCCNCC2)C1 ZINC000049474942 173039880 /nfs/dbraw/zinc/03/98/80/173039880.db2.gz MSBWTIVXWDEEBS-NSHDSACASA-N 1 3 225.336 0.150 10 0 BCAEHO CN1CCN(C[C@H]2CC23CC[NH2+]CC3)CC1 ZINC000069792441 173085546 /nfs/dbraw/zinc/08/55/46/173085546.db2.gz MCJVAKMTQNNUDK-GFCCVEGCSA-N 1 3 223.364 0.624 10 0 BCAEHO CN1CCN([C@@H](C[NH3+])[C@@H]2CCOC2)CC1(C)C ZINC000104142848 173093605 /nfs/dbraw/zinc/09/36/05/173093605.db2.gz NAWIDTXUJVRCHW-NEPJUHHUSA-N 1 3 241.379 0.376 10 0 BCAEHO CN1CC[C@@H](C[NH2+][C@@H]2CCCCNC2=O)C1 ZINC000037485053 173117102 /nfs/dbraw/zinc/11/71/02/173117102.db2.gz FTKSBHPUXJHORX-WDEREUQCSA-N 1 3 225.336 0.196 10 0 BCAEHO CN(C[C@H]1CC[N@H+](C)C1)[C@@H](CN)c1ccncc1 ZINC000071188132 173142808 /nfs/dbraw/zinc/14/28/08/173142808.db2.gz OPIPAEMTIXMACU-JSGCOSHPSA-N 1 3 248.374 0.965 10 0 BCAEHO CN(C[C@H]1CC[N@@H+](C)C1)[C@@H](CN)c1ccncc1 ZINC000071188132 173142810 /nfs/dbraw/zinc/14/28/10/173142810.db2.gz OPIPAEMTIXMACU-JSGCOSHPSA-N 1 3 248.374 0.965 10 0 BCAEHO CN(C[C@H]1CC[N@H+](C)C1)c1ncccc1CN ZINC000071187550 173143532 /nfs/dbraw/zinc/14/35/32/173143532.db2.gz PONYJVZHTCTTRK-NSHDSACASA-N 1 3 234.347 0.928 10 0 BCAEHO CN(C[C@H]1CC[N@@H+](C)C1)c1ncccc1CN ZINC000071187550 173143534 /nfs/dbraw/zinc/14/35/34/173143534.db2.gz PONYJVZHTCTTRK-NSHDSACASA-N 1 3 234.347 0.928 10 0 BCAEHO CN1CC[C@H](C[NH2+][C@@H]2CCCCNC2=O)C1 ZINC000037485052 173146494 /nfs/dbraw/zinc/14/64/94/173146494.db2.gz FTKSBHPUXJHORX-GHMZBOCLSA-N 1 3 225.336 0.196 10 0 BCAEHO CN(C1CCOCC1)[C@@]1(C[NH3+])CCN(C)C1 ZINC000061990315 173163352 /nfs/dbraw/zinc/16/33/52/173163352.db2.gz KDIMWLPXYNZAST-GFCCVEGCSA-N 1 3 227.352 0.130 10 0 BCAEHO C[N@H+]1[C@@H]2CC[C@H]1CC(NC[C@@H]1COCCO1)C2 ZINC000038060134 173206335 /nfs/dbraw/zinc/20/63/35/173206335.db2.gz HSEDJNXEIHYQMM-PSEXLTFBSA-N 1 3 240.347 0.617 10 0 BCAEHO C[N@@H+]1[C@@H]2CC[C@H]1CC(NC[C@@H]1COCCO1)C2 ZINC000038060134 173206337 /nfs/dbraw/zinc/20/63/37/173206337.db2.gz HSEDJNXEIHYQMM-PSEXLTFBSA-N 1 3 240.347 0.617 10 0 BCAEHO CNC(=O)C1CC[NH+]([C@H]2CCC[C@H]2CN)CC1 ZINC000036128608 173224565 /nfs/dbraw/zinc/22/45/65/173224565.db2.gz DTRVHBJVVAGVCX-RYUDHWBXSA-N 1 3 239.363 0.572 10 0 BCAEHO CNC(=O)C1CCN([C@H]2CCC[C@H]2C[NH3+])CC1 ZINC000036128608 173224567 /nfs/dbraw/zinc/22/45/67/173224567.db2.gz DTRVHBJVVAGVCX-RYUDHWBXSA-N 1 3 239.363 0.572 10 0 BCAEHO C[NH2+]C(C)(C)C(=O)NC[C@@H](C)N1CCCCC1 ZINC000061317804 173318485 /nfs/dbraw/zinc/31/84/85/173318485.db2.gz BBPMCUSGVNTKSM-LLVKDONJSA-N 1 3 241.379 0.975 10 0 BCAEHO C[NH2+]C1C[C@H]2CC[C@@H](C1)N2CCC(N)=O ZINC000054628139 173324394 /nfs/dbraw/zinc/32/43/94/173324394.db2.gz ZBKYLPAARPDOOC-PBINXNQUSA-N 1 3 211.309 0.077 10 0 BCAEHO CNC1C[C@H]2CC[C@@H](C1)[N@H+]2CCC(N)=O ZINC000054628139 173324396 /nfs/dbraw/zinc/32/43/96/173324396.db2.gz ZBKYLPAARPDOOC-PBINXNQUSA-N 1 3 211.309 0.077 10 0 BCAEHO CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC(N)=O ZINC000054628139 173324398 /nfs/dbraw/zinc/32/43/98/173324398.db2.gz ZBKYLPAARPDOOC-PBINXNQUSA-N 1 3 211.309 0.077 10 0 BCAEHO CNCC(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000038101728 173326925 /nfs/dbraw/zinc/32/69/25/173326925.db2.gz NRHJVMUBQAPVQO-UHFFFAOYSA-N 1 3 225.336 0.293 10 0 BCAEHO CNCC(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000249550903 173331418 /nfs/dbraw/zinc/33/14/18/173331418.db2.gz KZOOLPADYYILEZ-VHSXEESVSA-N 1 3 213.325 0.051 10 0 BCAEHO CNCC(=O)N[C@@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000249550903 173331420 /nfs/dbraw/zinc/33/14/20/173331420.db2.gz KZOOLPADYYILEZ-VHSXEESVSA-N 1 3 213.325 0.051 10 0 BCAEHO C[NH2+]CC(=O)Nc1cnccc1N(C)C ZINC000037013710 173335415 /nfs/dbraw/zinc/33/54/15/173335415.db2.gz PXNYNRGEPCMZJG-UHFFFAOYSA-N 1 3 208.265 0.306 10 0 BCAEHO COCCCN1CCC[NH2+]C[C@@H](C)C1 ZINC000049665811 174227782 /nfs/dbraw/zinc/22/77/82/174227782.db2.gz YCRRXVRJDGCVPP-LLVKDONJSA-N 1 3 200.326 0.954 10 0 BCAEHO COCCC[N@@H+]1CCCNC[C@@H](C)C1 ZINC000049665811 174227784 /nfs/dbraw/zinc/22/77/84/174227784.db2.gz YCRRXVRJDGCVPP-LLVKDONJSA-N 1 3 200.326 0.954 10 0 BCAEHO COCCC[N@H+]1CCCNC[C@@H](C)C1 ZINC000049665811 174227786 /nfs/dbraw/zinc/22/77/86/174227786.db2.gz YCRRXVRJDGCVPP-LLVKDONJSA-N 1 3 200.326 0.954 10 0 BCAEHO COCCCN1C[C@H](C)O[C@@H](CC[NH3+])C1 ZINC000071519816 174234857 /nfs/dbraw/zinc/23/48/57/174234857.db2.gz UHUDQYWGILOVCK-QWRGUYRKSA-N 1 3 216.325 0.461 10 0 BCAEHO COCCN(CC(C)C)[C@H](C[NH3+])[C@@H]1CCOC1 ZINC000042368160 174287266 /nfs/dbraw/zinc/28/72/66/174287266.db2.gz YEQDJGNIGWYRSJ-CHWSQXEVSA-N 1 3 244.379 0.955 10 0 BCAEHO COCCNC(=O)[C@@H](C)[NH2+][C@H](C)CCN(C)C ZINC000049557796 174325484 /nfs/dbraw/zinc/32/54/84/174325484.db2.gz QGQKGMNQCVZDAP-GHMZBOCLSA-N 1 3 245.367 0.067 10 0 BCAEHO COCCNC(=O)[C@H](C)[NH2+][C@H](C)CCN(C)C ZINC000049557794 174326301 /nfs/dbraw/zinc/32/63/01/174326301.db2.gz QGQKGMNQCVZDAP-MNOVXSKESA-N 1 3 245.367 0.067 10 0 BCAEHO COCCNC(=O)[C@H](C)[NH2+][C@@H](C)CCN(C)C ZINC000049557793 174326709 /nfs/dbraw/zinc/32/67/09/174326709.db2.gz QGQKGMNQCVZDAP-QWRGUYRKSA-N 1 3 245.367 0.067 10 0 BCAEHO COCC[NH2+]C[C@H](C)N(C)C1CCN(C)CC1 ZINC000053487047 174334568 /nfs/dbraw/zinc/33/45/68/174334568.db2.gz AGOUVLJTZYCNMF-LBPRGKRZSA-N 1 3 243.395 0.637 10 0 BCAEHO C[C@@H]([NH3+])[C@H](C)N1CCN(CC2CC2)CC1 ZINC000042490214 176011254 /nfs/dbraw/zinc/01/12/54/176011254.db2.gz FCUIPZDSGPGFMJ-MNOVXSKESA-N 1 3 211.353 0.750 10 0 BCAEHO C[C@@H]1CCC[C@@H](C(=O)N[C@@H]2CCN(C)C2)[C@@H]1[NH3+] ZINC000055139828 176113764 /nfs/dbraw/zinc/11/37/64/176113764.db2.gz MXQJAJBFXLPJDF-DDHJBXDOSA-N 1 3 239.363 0.570 10 0 BCAEHO C[C@@H]1CC[C@@H](C[NH3+])CN1CCn1cccn1 ZINC000042427517 176202750 /nfs/dbraw/zinc/20/27/50/176202750.db2.gz LCBAWUJQLIEBSO-NEPJUHHUSA-N 1 3 222.336 0.942 10 0 BCAEHO C[C@H]([NH3+])C(=O)Nc1cnccc1N(C)C ZINC000037013694 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BCAEHO CCN1CCC[C@@H](NC(=O)C[NH2+]CC2CC2)C1 ZINC000040503667 633817006 /nfs/dbraw/zinc/81/70/06/633817006.db2.gz MOCQGPDJJXOMGZ-GFCCVEGCSA-N 1 3 239.363 0.587 10 0 BCAEHO CCN(CC)CC(=O)N[C@@H]1CCC[C@H]1C[NH3+] ZINC000236842823 634037761 /nfs/dbraw/zinc/03/77/61/634037761.db2.gz ZVMKEVZISADOEP-WDEREUQCSA-N 1 3 227.352 0.572 10 0 BCAEHO CN(C[C@@H](O)C1CC1)C[C@H]1CC[N@H+](C)C1 ZINC000252459904 642890088 /nfs/dbraw/zinc/89/00/88/642890088.db2.gz ZNXHHDJUJQJXMS-CMPLNLGQSA-N 1 3 212.337 0.641 10 0 BCAEHO CN(C[C@@H](O)C1CC1)C[C@H]1CC[N@@H+](C)C1 ZINC000252459904 642890089 /nfs/dbraw/zinc/89/00/89/642890089.db2.gz ZNXHHDJUJQJXMS-CMPLNLGQSA-N 1 3 212.337 0.641 10 0 BCAEHO CC1CCN(CCN[C@@H]2CC[NH2+]C2)CC1 ZINC000086729190 644468971 /nfs/dbraw/zinc/46/89/71/644468971.db2.gz KIBXYPSIQOBLSQ-GFCCVEGCSA-N 1 3 211.353 0.670 10 0 BCAEHO C[C@@H]1CN(c2ccncc2CO)C[C@H]1[NH+](C)C ZINC000251753105 644820866 /nfs/dbraw/zinc/82/08/66/644820866.db2.gz LKDHAPISNFVFEH-ZWNOBZJWSA-N 1 3 235.331 0.960 10 0 BCAEHO 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10 0 BCAEHO C1=C(c2n[nH]c3c2CNCC3)CC[NH2+]C1 ZINC000685952210 538896327 /nfs/dbraw/zinc/89/63/27/538896327.db2.gz APJQNNWYADHKKV-UHFFFAOYSA-N 1 3 204.277 0.432 10 0 BCAEHO CN(C)[C@@H]1CCN(C(=O)CC[NH2+]C2CC2)C1 ZINC000062972343 349503053 /nfs/dbraw/zinc/50/30/53/349503053.db2.gz CXWWTALXLGSWIX-LLVKDONJSA-N 1 3 225.336 0.291 10 0 BCAEHO CC(C)N(C)C[C@H](O)C[NH2+][C@@H](C)[C@@H]1CCCO1 ZINC000380153558 398187514 /nfs/dbraw/zinc/18/75/14/398187514.db2.gz SNDAEPRPPHNIBE-XQQFMLRXSA-N 1 3 244.379 0.845 10 0 BCAEHO CCCCN(C)CCNC(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000263283781 398197533 /nfs/dbraw/zinc/19/75/33/398197533.db2.gz SWEJAHJATFWWBT-NEPJUHHUSA-N 1 3 241.379 0.962 10 0 BCAEHO CCN1CCC[C@@H]1CN(C)C(=O)[C@@H]1CCC[NH2+]1 ZINC000092629678 398235879 /nfs/dbraw/zinc/23/58/79/398235879.db2.gz QIASJNSQOMGZHD-NEPJUHHUSA-N 1 3 239.363 0.681 10 0 BCAEHO CN(C[C@@H]1CCCN(C)C1)C(=O)[C@@H]1CC[NH2+]C1 ZINC000165326014 136226930 /nfs/dbraw/zinc/22/69/30/136226930.db2.gz IKRWYFOXOSLZAH-VXGBXAGGSA-N 1 3 239.363 0.396 10 0 BCAEHO CCC[C@@](C)(N)C(=O)NC[C@H]1CC[NH2+]C1 ZINC000381491962 398259604 /nfs/dbraw/zinc/25/96/04/398259604.db2.gz YGFBMPKSEBCVNW-GXSJLCMTSA-N 1 3 213.325 0.230 10 0 BCAEHO Cc1cnn(CCN2C[C@@H](C)[C@@H](C[NH3+])C2)c1 ZINC000631838661 398285814 /nfs/dbraw/zinc/28/58/14/398285814.db2.gz SKXJRDRUHUSHPI-NEPJUHHUSA-N 1 3 222.336 0.718 10 0 BCAEHO CO[C@@H]1C[NH2+][C@H](CN(C)C2CCN(C)CC2)C1 ZINC000040637382 538972145 /nfs/dbraw/zinc/97/21/45/538972145.db2.gz LMWJNUXJLUDLCB-AAEUAGOBSA-N 1 3 241.379 0.389 10 0 BCAEHO C[C@H]1CCCN(CC(C)(C)O)[C@@H]1C[NH3+] ZINC000069727318 342822621 /nfs/dbraw/zinc/82/26/21/342822621.db2.gz GZJCTSLYSHROOV-VHSXEESVSA-N 1 3 200.326 0.817 10 0 BCAEHO CN(C)C[C@@H]1COC[C@H]1[NH+]1CCC(CO)CC1 ZINC000725273976 539026962 /nfs/dbraw/zinc/02/69/62/539026962.db2.gz ZVEUBSAZMHRTCB-CHWSQXEVSA-N 1 3 242.363 0.267 10 0 BCAEHO CN(CCNC(=O)C1CCC([NH3+])CC1)C1CC1 ZINC000059931538 342876801 /nfs/dbraw/zinc/87/68/01/342876801.db2.gz VCNASCVDFRSMKX-UHFFFAOYSA-N 1 3 239.363 0.714 10 0 BCAEHO COC(=O)CC[NH2+]C[C@@H]1CCCCN1 ZINC000234536132 342930120 /nfs/dbraw/zinc/93/01/20/342930120.db2.gz WCCFVADIXVIMKB-VIFPVBQESA-N 1 3 200.282 0.281 10 0 BCAEHO CC(C)N1CCN([C@H](C[NH3+])[C@@H]2CCOC2)CC1 ZINC000036170832 187259190 /nfs/dbraw/zinc/25/91/90/187259190.db2.gz RRSAQYJTCBAPFU-CHWSQXEVSA-N 1 3 241.379 0.376 10 0 BCAEHO C1CC1N1CCC([NH2+]C2CCNCC2)CC1 ZINC000038041388 187261953 /nfs/dbraw/zinc/26/19/53/187261953.db2.gz SCQRIAKSXVPUFG-UHFFFAOYSA-N 1 3 223.364 0.955 10 0 BCAEHO C[C@@H]1CCN(CC(C)(C)C[NH3+])C[C@H]1O ZINC000299901180 343629114 /nfs/dbraw/zinc/62/91/14/343629114.db2.gz AUYAJHDKGARFLF-NXEZZACHSA-N 1 3 200.326 0.674 10 0 BCAEHO C[C@@H]1CC[N@H+](CC(C)(C)CN)C[C@H]1O ZINC000299901180 343629115 /nfs/dbraw/zinc/62/91/15/343629115.db2.gz AUYAJHDKGARFLF-NXEZZACHSA-N 1 3 200.326 0.674 10 0 BCAEHO C[C@@H]1CC[N@@H+](CC(C)(C)CN)C[C@H]1O ZINC000299901180 343629116 /nfs/dbraw/zinc/62/91/16/343629116.db2.gz AUYAJHDKGARFLF-NXEZZACHSA-N 1 3 200.326 0.674 10 0 BCAEHO CCCN(CCN(C)C)C(=O)[C@@H]1CC[NH2+]C1 ZINC000062116702 343733169 /nfs/dbraw/zinc/73/31/69/343733169.db2.gz DYEJYKFZEFLJIQ-LLVKDONJSA-N 1 3 227.352 0.396 10 0 BCAEHO CC(C)C[C@H](CN(C)C)NC(=O)[C@@H](C)C[NH3+] ZINC000044806479 187354556 /nfs/dbraw/zinc/35/45/56/187354556.db2.gz LYJOIVRSSWEKIB-WDEREUQCSA-N 1 3 229.368 0.674 10 0 BCAEHO C([C@@H]1CO[C@]2(C1)CNCCOC2)[NH+]1CCCC1 ZINC000096240650 187289124 /nfs/dbraw/zinc/28/91/24/187289124.db2.gz INBQPZGALFHFQN-CHWSQXEVSA-N 1 3 240.347 0.477 10 0 BCAEHO C[C@H](CNC(=O)[C@]12CCC[C@H]1C[NH2+]C2)N(C)C ZINC000634766034 344277656 /nfs/dbraw/zinc/27/76/56/344277656.db2.gz OVKOUAMEFLKLQT-MDZLAQPJSA-N 1 3 239.363 0.442 10 0 BCAEHO CN(C)CCNC(=O)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634770468 344284633 /nfs/dbraw/zinc/28/46/33/344284633.db2.gz MKXHVJPACPOHDF-JQWIXIFHSA-N 1 3 225.336 0.054 10 0 BCAEHO COC(=O)CCCC[N@@H+]1C[C@H](C)[C@H](N)C1 ZINC000600710277 344360785 /nfs/dbraw/zinc/36/07/85/344360785.db2.gz MZXVXJLUHIAZHD-VHSXEESVSA-N 1 3 214.309 0.609 10 0 BCAEHO COC(=O)CCCC[N@H+]1C[C@H](C)[C@H](N)C1 ZINC000600710277 344360787 /nfs/dbraw/zinc/36/07/87/344360787.db2.gz MZXVXJLUHIAZHD-VHSXEESVSA-N 1 3 214.309 0.609 10 0 BCAEHO C[C@@H]1[C@H](C)SCC[N@@H+]1C[C@@H](O)CN ZINC000221990372 349912592 /nfs/dbraw/zinc/91/25/92/349912592.db2.gz QPAZHGXTIRVRKB-VGMNWLOBSA-N 1 3 204.339 0.132 10 0 BCAEHO C[C@@H]1[C@H](C)SCC[N@H+]1C[C@@H](O)CN ZINC000221990372 349912597 /nfs/dbraw/zinc/91/25/97/349912597.db2.gz QPAZHGXTIRVRKB-VGMNWLOBSA-N 1 3 204.339 0.132 10 0 BCAEHO C[C@@H]1CCN(CC(C)(C)C[NH3+])C[C@@H]1O ZINC000230342647 344526861 /nfs/dbraw/zinc/52/68/61/344526861.db2.gz AUYAJHDKGARFLF-ZJUUUORDSA-N 1 3 200.326 0.674 10 0 BCAEHO C[C@@H]1CC[N@H+](CC(C)(C)CN)C[C@@H]1O ZINC000230342647 344526864 /nfs/dbraw/zinc/52/68/64/344526864.db2.gz AUYAJHDKGARFLF-ZJUUUORDSA-N 1 3 200.326 0.674 10 0 BCAEHO C[C@@H]1CC[N@@H+](CC(C)(C)CN)C[C@@H]1O ZINC000230342647 344526867 /nfs/dbraw/zinc/52/68/67/344526867.db2.gz AUYAJHDKGARFLF-ZJUUUORDSA-N 1 3 200.326 0.674 10 0 BCAEHO CC(C)N(C)CC(=O)N[C@@H]1CCC[C@H]1C[NH3+] ZINC000246743182 187297808 /nfs/dbraw/zinc/29/78/08/187297808.db2.gz ZGOPTWBNDHSSRV-WDEREUQCSA-N 1 3 227.352 0.570 10 0 BCAEHO C[C@@H]1C[N@H+](CC[C@H]2CCOC2)C[C@@H]1CN ZINC000634998790 345199078 /nfs/dbraw/zinc/19/90/78/345199078.db2.gz LCBVMCIILISRRL-WOPDTQHZSA-N 1 3 212.337 0.940 10 0 BCAEHO C[C@@H]1C[N@@H+](CC[C@H]2CCOC2)C[C@@H]1CN ZINC000634998790 345199080 /nfs/dbraw/zinc/19/90/80/345199080.db2.gz LCBVMCIILISRRL-WOPDTQHZSA-N 1 3 212.337 0.940 10 0 BCAEHO CC(C)C[C@H](C)NC[C@H]1C[NH2+]C[C@H]1O ZINC000336649814 187305706 /nfs/dbraw/zinc/30/57/06/187305706.db2.gz IOKATZYCRDFOGI-HBNTYKKESA-N 1 3 200.326 0.591 10 0 BCAEHO CC(C)C[C@H](C)[NH2+]C[C@H]1CNC[C@H]1O ZINC000336649814 187305708 /nfs/dbraw/zinc/30/57/08/187305708.db2.gz IOKATZYCRDFOGI-HBNTYKKESA-N 1 3 200.326 0.591 10 0 BCAEHO C[C@H](N)C(=O)N1CC[C@@]2(CC[C@H](C[NH3+])C2)C1 ZINC000095088884 346024333 /nfs/dbraw/zinc/02/43/33/346024333.db2.gz MCYBNYMFFOUDAZ-JBLDHEPKSA-N 1 3 225.336 0.311 10 0 BCAEHO CCN1CCC[C@H](NC(=O)C[C@H]2CCC[NH2+]2)C1 ZINC000249744803 346499268 /nfs/dbraw/zinc/49/92/68/346499268.db2.gz LZVICXGZDIYOKQ-NEPJUHHUSA-N 1 3 239.363 0.729 10 0 BCAEHO [NH3+][C@@H]1CCC[C@H](NCCn2cncn2)C1 ZINC000381739950 346786493 /nfs/dbraw/zinc/78/64/93/346786493.db2.gz YZEUMPHCOXMIKL-ZJUUUORDSA-N 1 3 209.297 0.138 10 0 BCAEHO C[C@H]1CN(CCc2cn[nH]c2)C[C@H]1C[NH3+] ZINC000641821673 362772593 /nfs/dbraw/zinc/77/25/93/362772593.db2.gz OIHQGSWQWJWLQJ-GXSJLCMTSA-N 1 3 208.309 0.479 10 0 BCAEHO COC(=O)CCN1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000601325472 347207217 /nfs/dbraw/zinc/20/72/17/347207217.db2.gz CTXYITVUWVUQHN-IUCAKERBSA-N 1 3 200.282 0.076 10 0 BCAEHO [NH3+]C[C@H]1CCN(C[C@H]2CCOCO2)C1 ZINC000250821504 362823260 /nfs/dbraw/zinc/82/32/60/362823260.db2.gz GGIDJBOQDRMPEF-NXEZZACHSA-N 1 3 200.282 0.030 10 0 BCAEHO C[C@@H]1CCN(C(=O)C2CCN(C)CC2)C[C@H]1[NH3+] ZINC000616569114 347575629 /nfs/dbraw/zinc/57/56/29/347575629.db2.gz HXWMNRMOKLVQMG-ZYHUDNBSSA-N 1 3 239.363 0.524 10 0 BCAEHO CN1CCC(C(=O)N2C[C@@H]3CC[C@@]3([NH3+])C2)CC1 ZINC000616571118 348105013 /nfs/dbraw/zinc/10/50/13/348105013.db2.gz DWWZXDJZJTUHJY-WCQYABFASA-N 1 3 237.347 0.278 10 0 BCAEHO C[C@@H]1C[NH2+]C[C@]12CN(CC1CC1)CC[C@H]2O ZINC000725246215 538004577 /nfs/dbraw/zinc/00/45/77/538004577.db2.gz RKNNVQXQMNJFJY-RTXFEEFZSA-N 1 3 224.348 0.689 10 0 BCAEHO CN[C@H](C)C(=O)NCCC[N@@H+]1CCCC[C@@H]1C ZINC000054071599 348874035 /nfs/dbraw/zinc/87/40/35/348874035.db2.gz ZMOCDAXUAVMZRA-NWDGAFQWSA-N 1 3 241.379 0.975 10 0 BCAEHO CN[C@H](C)C(=O)NCCC[N@H+]1CCCC[C@@H]1C ZINC000054071599 348874038 /nfs/dbraw/zinc/87/40/38/348874038.db2.gz ZMOCDAXUAVMZRA-NWDGAFQWSA-N 1 3 241.379 0.975 10 0 BCAEHO CCCC[NH+]1CCC(NC(=O)[C@@H](C)NC)CC1 ZINC000054072863 348888351 /nfs/dbraw/zinc/88/83/51/348888351.db2.gz MHHGKOBZXVQZPG-LLVKDONJSA-N 1 3 241.379 0.975 10 0 BCAEHO CC(C)N1CCN(CC2=[NH+]CCCN2)CC1 ZINC000669384702 538016976 /nfs/dbraw/zinc/01/69/76/538016976.db2.gz BSPQWMSCTHTFAV-UHFFFAOYSA-N 1 3 224.352 0.404 10 0 BCAEHO CN(C)[C@H]1CCN(C(=O)[C@@]2(C)CCC[NH2+]2)C1 ZINC000070619351 350029713 /nfs/dbraw/zinc/02/97/13/350029713.db2.gz AJEDOOLIOILYPY-CMPLNLGQSA-N 1 3 225.336 0.291 10 0 BCAEHO C[C@@H]1C[NH2+]C[C@H]1C(=O)N[C@@H]1CCCN(C)C1 ZINC000082559710 490290416 /nfs/dbraw/zinc/29/04/16/490290416.db2.gz BIDIYIDSLZJQMD-GMTAPVOTSA-N 1 3 225.336 0.052 10 0 BCAEHO C[C@H](NC1CC1)C(=O)Nc1ccnn1C1C[NH2+]C1 ZINC000725258284 538072624 /nfs/dbraw/zinc/07/26/24/538072624.db2.gz NCWOPXRICBYLOR-QMMMGPOBSA-N 1 3 249.318 0.106 10 0 BCAEHO [NH3+]C1(CC(=O)Nc2ccnn2C2CNC2)CCC1 ZINC000725258269 538072680 /nfs/dbraw/zinc/07/26/80/538072680.db2.gz MHOBYVMHVHHPOJ-UHFFFAOYSA-N 1 3 249.318 0.237 10 0 BCAEHO CC(C)[NH+]1CCC(N[C@@H]2C[C@H]2CO)CC1 ZINC000380263082 350249394 /nfs/dbraw/zinc/24/93/94/350249394.db2.gz SJOZNMALVICNHT-CMPLNLGQSA-N 1 3 212.337 0.830 10 0 BCAEHO O=C(C[C@@H]1CCC[NH2+]1)Nc1ccnn1C1CNC1 ZINC000725258777 538078253 /nfs/dbraw/zinc/07/82/53/538078253.db2.gz ZPJWIFBNKQTWAD-VIFPVBQESA-N 1 3 249.318 0.108 10 0 BCAEHO CCN(C(=O)[C@@H](C)N)[C@@H]1CCC[NH2+]CC1 ZINC000309501211 350614784 /nfs/dbraw/zinc/61/47/84/350614784.db2.gz UYXAOEJNICHJSO-NXEZZACHSA-N 1 3 213.325 0.324 10 0 BCAEHO C[C@@]1(CO)CCC[N@@H+]1C[C@H]1CCCNC1 ZINC000309514411 350694535 /nfs/dbraw/zinc/69/45/35/350694535.db2.gz QTPJVDGGFMXYLC-RYUDHWBXSA-N 1 3 212.337 0.833 10 0 BCAEHO C[C@@]1(CO)CCC[N@H+]1C[C@H]1CCCNC1 ZINC000309514411 350694536 /nfs/dbraw/zinc/69/45/36/350694536.db2.gz QTPJVDGGFMXYLC-RYUDHWBXSA-N 1 3 212.337 0.833 10 0 BCAEHO [NH3+]CCN1CCN[C@H](c2ccc(CCO)cc2)C1 ZINC000616634413 351117203 /nfs/dbraw/zinc/11/72/03/351117203.db2.gz SIZKVDVFVXDFFM-AWEZNQCLSA-N 1 3 249.358 0.126 10 0 BCAEHO CCCN(CCN(C)C)C(=O)[C@@]1(C)CCC[NH2+]1 ZINC000079520758 351071123 /nfs/dbraw/zinc/07/11/23/351071123.db2.gz FASPUJVCHKVRFO-CYBMUJFWSA-N 1 3 241.379 0.929 10 0 BCAEHO CC(C)([NH3+])CN1CCNC[C@@H]1C(F)F ZINC000307214740 351615012 /nfs/dbraw/zinc/61/50/12/351615012.db2.gz ATMAYUDGMQNSHX-SSDOTTSWSA-N 1 3 207.268 0.263 10 0 BCAEHO C[C@H]1[C@H](O)CCCN1CCC(C)(C)[NH3+] ZINC000307253102 351784086 /nfs/dbraw/zinc/78/40/86/351784086.db2.gz UOKXGJFQULGEHT-VHSXEESVSA-N 1 3 200.326 0.959 10 0 BCAEHO CCN1CCC[C@@H](NC(=O)CCC2C[NH2+]C2)C1 ZINC000638080914 351954410 /nfs/dbraw/zinc/95/44/10/351954410.db2.gz YTGCEOLIRWDLSE-GFCCVEGCSA-N 1 3 239.363 0.587 10 0 BCAEHO CC[NH2+][C@H](C)C(=O)N1C[C@H]2CCCN2C[C@@H]1C ZINC000638114959 351990427 /nfs/dbraw/zinc/99/04/27/351990427.db2.gz DDRQVJVRWGUTTP-QJPTWQEYSA-N 1 3 239.363 0.680 10 0 BCAEHO CCN[C@H](C)C(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000638114959 351990429 /nfs/dbraw/zinc/99/04/29/351990429.db2.gz DDRQVJVRWGUTTP-QJPTWQEYSA-N 1 3 239.363 0.680 10 0 BCAEHO CCN[C@H](C)C(=O)N1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC000638114959 351990432 /nfs/dbraw/zinc/99/04/32/351990432.db2.gz DDRQVJVRWGUTTP-QJPTWQEYSA-N 1 3 239.363 0.680 10 0 BCAEHO CC[NH2+][C@@H](C)C(=O)N1CC[C@@H](N(C)C)C1 ZINC000638274414 352111944 /nfs/dbraw/zinc/11/19/44/352111944.db2.gz HWFRCYGOQKOTTR-VHSXEESVSA-N 1 3 213.325 0.147 10 0 BCAEHO C[C@@H]1CN(C(=O)C2CCN(C)CC2)C[C@@H]1C[NH3+] ZINC000638895016 353056047 /nfs/dbraw/zinc/05/60/47/353056047.db2.gz QSJDCYYBXCDVEE-PWSUYJOCSA-N 1 3 239.363 0.381 10 0 BCAEHO C[C@@H]1CN2CCC[C@H]2CN1C(=O)C(C)(C)C[NH3+] ZINC000251832109 353292667 /nfs/dbraw/zinc/29/26/67/353292667.db2.gz PQMCMWVLTQOARQ-MNOVXSKESA-N 1 3 239.363 0.666 10 0 BCAEHO CC(C)C[C@@H](N)C(=O)N1CCC[C@H]1C[NH+](C)C ZINC000061645085 188302717 /nfs/dbraw/zinc/30/27/17/188302717.db2.gz YLOYYFUCUIPHGT-NWDGAFQWSA-N 1 3 241.379 0.912 10 0 BCAEHO CCN(CCC(=O)OC)C[C@H]1CCC[NH2+]C1 ZINC000220366757 353837351 /nfs/dbraw/zinc/83/73/51/353837351.db2.gz ZRGJMXXPZXBMEC-NSHDSACASA-N 1 3 228.336 0.871 10 0 BCAEHO CC[N@H+](CCC(=O)OC)C[C@H]1CCCNC1 ZINC000220366757 353837354 /nfs/dbraw/zinc/83/73/54/353837354.db2.gz ZRGJMXXPZXBMEC-NSHDSACASA-N 1 3 228.336 0.871 10 0 BCAEHO CC[N@@H+](CCC(=O)OC)C[C@H]1CCCNC1 ZINC000220366757 353837357 /nfs/dbraw/zinc/83/73/57/353837357.db2.gz ZRGJMXXPZXBMEC-NSHDSACASA-N 1 3 228.336 0.871 10 0 BCAEHO NC(=O)C1([N@@H+]2CCCNCC2)CCCCCC1 ZINC000037943804 181214183 /nfs/dbraw/zinc/21/41/83/181214183.db2.gz BWBALUVHJPNNKW-UHFFFAOYSA-N 1 3 239.363 0.860 10 0 BCAEHO NC(=O)C1([N@H+]2CCCNCC2)CCCCCC1 ZINC000037943804 181214185 /nfs/dbraw/zinc/21/41/85/181214185.db2.gz BWBALUVHJPNNKW-UHFFFAOYSA-N 1 3 239.363 0.860 10 0 BCAEHO NC(=O)C1CC[NH+]([C@H]2CCC[C@H]2N)CC1 ZINC000040431151 181218000 /nfs/dbraw/zinc/21/80/00/181218000.db2.gz MHPQGWMFHPHOEA-ZJUUUORDSA-N 1 3 211.309 0.064 10 0 BCAEHO NC(=O)CCN1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000037918102 181224667 /nfs/dbraw/zinc/22/46/67/181224667.db2.gz CDVHDCCDPLUOKQ-WDEREUQCSA-N 1 3 225.336 0.326 10 0 BCAEHO NC(=O)[C@H]1CCCN1CC[C@H]1CCC[NH2+]C1 ZINC000051918924 181282570 /nfs/dbraw/zinc/28/25/70/181282570.db2.gz WJBUMHZMWGQUHQ-GHMZBOCLSA-N 1 3 225.336 0.326 10 0 BCAEHO CCC[NH2+]C[C@@]12C[C@]1(C(=O)OC)CNC2 ZINC000675072708 538504260 /nfs/dbraw/zinc/50/42/60/538504260.db2.gz CVTKBKDIDBMSEJ-GHMZBOCLSA-N 1 3 212.293 0.139 10 0 BCAEHO CCCNC[C@@]12C[C@]1(C(=O)OC)C[NH2+]C2 ZINC000675072708 538504263 /nfs/dbraw/zinc/50/42/63/538504263.db2.gz CVTKBKDIDBMSEJ-GHMZBOCLSA-N 1 3 212.293 0.139 10 0 BCAEHO COC(=O)[C@]12C[C@@]1(C[NH2+]CC(C)C)CNC2 ZINC000675073553 538505584 /nfs/dbraw/zinc/50/55/84/538505584.db2.gz LBXYBVWNCLMRGD-VXGBXAGGSA-N 1 3 226.320 0.385 10 0 BCAEHO COC(=O)[C@]12C[C@@]1(CNCC(C)C)C[NH2+]C2 ZINC000675073553 538505586 /nfs/dbraw/zinc/50/55/86/538505586.db2.gz LBXYBVWNCLMRGD-VXGBXAGGSA-N 1 3 226.320 0.385 10 0 BCAEHO COC(=O)[C@@]12C[C@]1(C[NH2+]C(C)C)CNC2 ZINC000675074106 538507025 /nfs/dbraw/zinc/50/70/25/538507025.db2.gz RLUMYXPRHRXUPF-MNOVXSKESA-N 1 3 212.293 0.137 10 0 BCAEHO COC(=O)[C@@]12C[C@]1(CNC(C)C)C[NH2+]C2 ZINC000675074106 538507027 /nfs/dbraw/zinc/50/70/27/538507027.db2.gz RLUMYXPRHRXUPF-MNOVXSKESA-N 1 3 212.293 0.137 10 0 BCAEHO C[C@@H]1NC(=O)CC[C@@H]1N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000392901079 357263561 /nfs/dbraw/zinc/26/35/61/357263561.db2.gz SNFGYNCMSLAROA-ZDCRXTMVSA-N 1 3 225.336 0.513 10 0 BCAEHO C[C@H]1C[NH2+]C[C@H](C)C1N1CCCOCC1 ZINC000685950477 538894047 /nfs/dbraw/zinc/89/40/47/538894047.db2.gz AACLQRIMKWHEEC-QWRGUYRKSA-N 1 3 212.337 0.953 10 0 BCAEHO C[C@H]1CNC[C@H](C)C1[N@@H+]1CCCOCC1 ZINC000685950477 538894049 /nfs/dbraw/zinc/89/40/49/538894049.db2.gz AACLQRIMKWHEEC-QWRGUYRKSA-N 1 3 212.337 0.953 10 0 BCAEHO C[C@H]1CNC[C@H](C)C1[N@H+]1CCCOCC1 ZINC000685950477 538894050 /nfs/dbraw/zinc/89/40/50/538894050.db2.gz AACLQRIMKWHEEC-QWRGUYRKSA-N 1 3 212.337 0.953 10 0 BCAEHO CCN1CCC[C@H](NC(=O)[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000233481377 357725392 /nfs/dbraw/zinc/72/53/92/357725392.db2.gz YTQGKAOJZBVHGV-GRYCIOLGSA-N 1 3 239.363 0.442 10 0 BCAEHO CC[C@H](N)C(=O)N(C)C[C@H]1CCC[N@@H+]1CC ZINC000086188878 357871836 /nfs/dbraw/zinc/87/18/36/357871836.db2.gz NULDYXIVCWEVIW-MNOVXSKESA-N 1 3 227.352 0.666 10 0 BCAEHO CC[C@H](N)C(=O)N(C)C[C@H]1CCC[N@H+]1CC ZINC000086188878 357871844 /nfs/dbraw/zinc/87/18/44/357871844.db2.gz NULDYXIVCWEVIW-MNOVXSKESA-N 1 3 227.352 0.666 10 0 BCAEHO CCN1CCC[C@@H]1CN(C)C(=O)CCC[NH3+] ZINC000086188859 357872590 /nfs/dbraw/zinc/87/25/90/357872590.db2.gz HNUJXSHLLWVUMJ-LLVKDONJSA-N 1 3 227.352 0.668 10 0 BCAEHO C[C@H]1C[C@@H](N)CC[N@@H+]1CCC(C)(C)O ZINC000168967224 358001679 /nfs/dbraw/zinc/00/16/79/358001679.db2.gz NJHNTAXHQHQNKX-UWVGGRQHSA-N 1 3 200.326 0.959 10 0 BCAEHO C[C@H]1C[C@@H](N)CC[N@H+]1CCC(C)(C)O ZINC000168967224 358001682 /nfs/dbraw/zinc/00/16/82/358001682.db2.gz NJHNTAXHQHQNKX-UWVGGRQHSA-N 1 3 200.326 0.959 10 0 BCAEHO C1CC1N1CC[C@H](N[C@H]2CCC[NH2+]CC2)C1 ZINC000168742180 134248063 /nfs/dbraw/zinc/24/80/63/134248063.db2.gz XRAGHHIXYQXNAA-RYUDHWBXSA-N 1 3 223.364 0.955 10 0 BCAEHO CCN1CCC[C@@H](NC(=O)C[NH2+]C2CC2)C1 ZINC000040503652 358237493 /nfs/dbraw/zinc/23/74/93/358237493.db2.gz KJZJSRSJRPNMCO-LLVKDONJSA-N 1 3 225.336 0.339 10 0 BCAEHO CCN1CCC[C@@H]1CNC(=O)[C@@]1(C)CCC[NH2+]1 ZINC000227077973 358348184 /nfs/dbraw/zinc/34/81/84/358348184.db2.gz HWUWKFLGSUPHLN-DGCLKSJQSA-N 1 3 239.363 0.729 10 0 BCAEHO CC(C)[C@H](O)CN1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000300834364 360531514 /nfs/dbraw/zinc/53/15/14/360531514.db2.gz CYZKOGGWDDOCDV-GARJFASQSA-N 1 3 200.326 0.672 10 0 BCAEHO [NH3+]CC1(CN2CCC[C@@H](O)C2)CCOCC1 ZINC000052197510 181358986 /nfs/dbraw/zinc/35/89/86/181358986.db2.gz FBZYKTNEMJSOET-LLVKDONJSA-N 1 3 228.336 0.199 10 0 BCAEHO NCC1(C[N@@H+]2CCC[C@@H](O)C2)CCOCC1 ZINC000052197510 181358988 /nfs/dbraw/zinc/35/89/88/181358988.db2.gz FBZYKTNEMJSOET-LLVKDONJSA-N 1 3 228.336 0.199 10 0 BCAEHO NCC1(C[N@H+]2CCC[C@@H](O)C2)CCOCC1 ZINC000052197510 181358990 /nfs/dbraw/zinc/35/89/90/181358990.db2.gz FBZYKTNEMJSOET-LLVKDONJSA-N 1 3 228.336 0.199 10 0 BCAEHO [NH3+]CCCN1CCCN(C[C@H]2CCCO2)CC1 ZINC000037038096 181380933 /nfs/dbraw/zinc/38/09/33/181380933.db2.gz GZICKUSPRMZDTE-CYBMUJFWSA-N 1 3 241.379 0.522 10 0 BCAEHO [NH3+]CCCNC[C@@H](O)c1ccc2c(c1)OCO2 ZINC000051356202 181383611 /nfs/dbraw/zinc/38/36/11/181383611.db2.gz FFSIGFYAQLBDDG-SNVBAGLBSA-N 1 3 238.287 0.387 10 0 BCAEHO [NH3+]CCCNC[C@H](O)c1ccc2c(c1)OCO2 ZINC000051356204 181383644 /nfs/dbraw/zinc/38/36/44/181383644.db2.gz FFSIGFYAQLBDDG-JTQLQIEISA-N 1 3 238.287 0.387 10 0 BCAEHO [NH3+]CCN1CCCN(C[C@@H]2CCCO2)CC1 ZINC000037039704 181392311 /nfs/dbraw/zinc/39/23/11/181392311.db2.gz MJJAHRCECQEZRA-LBPRGKRZSA-N 1 3 227.352 0.132 10 0 BCAEHO C[C@@H]1C[NH2+]C[C@H]1C(=O)NC1CCN(C)CC1 ZINC000082559168 368693961 /nfs/dbraw/zinc/69/39/61/368693961.db2.gz ZLEJOMIELQOMLB-MWLCHTKSSA-N 1 3 225.336 0.052 10 0 BCAEHO CCCN(CCN(C)C)C(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000091539699 369014253 /nfs/dbraw/zinc/01/42/53/369014253.db2.gz ZQBDJUVEGVOSBO-NWDGAFQWSA-N 1 3 241.379 0.914 10 0 BCAEHO C[C@@H]1CN(CCCc2cncn2C)C[C@@H]1C[NH3+] ZINC000631836996 369091735 /nfs/dbraw/zinc/09/17/35/369091735.db2.gz LINQNLLGQDHIJF-NEPJUHHUSA-N 1 3 236.363 0.879 10 0 BCAEHO C[C@@H]1C[N@H+](CCCc2cncn2C)C[C@@H]1CN ZINC000631836996 369091742 /nfs/dbraw/zinc/09/17/42/369091742.db2.gz LINQNLLGQDHIJF-NEPJUHHUSA-N 1 3 236.363 0.879 10 0 BCAEHO C[C@@H]1C[N@@H+](CCCc2cncn2C)C[C@@H]1CN ZINC000631836996 369091750 /nfs/dbraw/zinc/09/17/50/369091750.db2.gz LINQNLLGQDHIJF-NEPJUHHUSA-N 1 3 236.363 0.879 10 0 BCAEHO CN1CCC(C(=O)N2C[C@@H]3CC[C@]3([NH3+])C2)CC1 ZINC000616571099 369092942 /nfs/dbraw/zinc/09/29/42/369092942.db2.gz DWWZXDJZJTUHJY-AAEUAGOBSA-N 1 3 237.347 0.278 10 0 BCAEHO CC[C@@H](N)C(=O)N(C)[C@@H]1CCC[NH2+]CC1 ZINC000309831592 370265741 /nfs/dbraw/zinc/26/57/41/370265741.db2.gz YSLKKOHQMIODIN-NXEZZACHSA-N 1 3 213.325 0.324 10 0 BCAEHO Nc1ccncc1C(=O)[C@@H]1C=C[C@@H]([NH3+])C1 ZINC000226561020 371699016 /nfs/dbraw/zinc/69/90/16/371699016.db2.gz KFZXFKJXJQWVMM-HTQZYQBOSA-N 1 3 203.245 0.750 10 0 BCAEHO Cc1noc(CCCN2C[C@H](C)[C@@H](C[NH3+])C2)n1 ZINC000631837065 372627899 /nfs/dbraw/zinc/62/78/99/372627899.db2.gz MJHGGDLPEDEBRP-ONGXEEELSA-N 1 3 238.335 0.837 10 0 BCAEHO C[C@H]1CN(CCN2CCCC2=O)C[C@@H]1C[NH3+] ZINC000631841949 372641188 /nfs/dbraw/zinc/64/11/88/372641188.db2.gz SFFKLXWWAHLKHB-QWRGUYRKSA-N 1 3 225.336 0.135 10 0 BCAEHO O=C(C[C@H]1CCC[NH2+]C1)N1CCCNCC1 ZINC000054306103 182028843 /nfs/dbraw/zinc/02/88/43/182028843.db2.gz MKVSFKJOWHFXIF-LLVKDONJSA-N 1 3 225.336 0.198 10 0 BCAEHO CC(C)C[C@@H](CO)NC[C@H](O)C[NH+]1CCCC1 ZINC000040777175 373701059 /nfs/dbraw/zinc/70/10/59/373701059.db2.gz XUVMWHQJWOGKEC-STQMWFEESA-N 1 3 244.379 0.440 10 0 BCAEHO O=C(N[C@H]1CCN(C2CC2)C1)[C@H]1CCC[NH2+]C1 ZINC000044726735 182334852 /nfs/dbraw/zinc/33/48/52/182334852.db2.gz LAFKLUBSYFAUAH-QWRGUYRKSA-N 1 3 237.347 0.339 10 0 BCAEHO OCCN1CCN(CCC[C@@H]2CCC[NH2+]2)CC1 ZINC000058267127 183075142 /nfs/dbraw/zinc/07/51/42/183075142.db2.gz IXGLOHNVNKAJQY-ZDUSSCGKSA-N 1 3 241.379 0.129 10 0 BCAEHO CCCC[C@H](N)C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]12 ZINC000037619608 169007480 /nfs/dbraw/zinc/00/74/80/169007480.db2.gz FYNUHFFKMGPEOB-SDDRHHMPSA-N 1 3 239.363 0.857 10 0 BCAEHO CCCC[C@H](N)C(=O)N[C@H]1CC[N@H+]2CCC[C@H]12 ZINC000037619608 169007482 /nfs/dbraw/zinc/00/74/82/169007482.db2.gz FYNUHFFKMGPEOB-SDDRHHMPSA-N 1 3 239.363 0.857 10 0 BCAEHO CCCN1CCN([C@@H](C[NH3+])[C@@H]2CCOC2)CC1 ZINC000022209510 169202396 /nfs/dbraw/zinc/20/23/96/169202396.db2.gz LNBZJGRJVQYTPR-OLZOCXBDSA-N 1 3 241.379 0.378 10 0 BCAEHO CCCNC(=O)C[NH2+][C@H](C)[C@@H]1CCCN(C)C1 ZINC000036780837 169228567 /nfs/dbraw/zinc/22/85/67/169228567.db2.gz YQVRNGPBLDZVFF-VXGBXAGGSA-N 1 3 241.379 0.833 10 0 BCAEHO CCC[NH2+]CCCN1C[C@@H](C(N)=O)CC[C@@H]1C ZINC000042438681 169256730 /nfs/dbraw/zinc/25/67/30/169256730.db2.gz UTITYLVBPDZEDF-RYUDHWBXSA-N 1 3 241.379 0.962 10 0 BCAEHO CCC[C@@H](N)C(=O)N1CCC([NH+](C)C)CC1 ZINC000036873423 169387768 /nfs/dbraw/zinc/38/77/68/169387768.db2.gz PODPCKKOMRESMW-LLVKDONJSA-N 1 3 227.352 0.666 10 0 BCAEHO CCC[C@@H](N)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000037649668 169389524 /nfs/dbraw/zinc/38/95/24/169389524.db2.gz UQECCAKCLSUPFL-CMPLNLGQSA-N 1 3 239.363 0.714 10 0 BCAEHO CCC[C@@H](N)C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000037649668 169389525 /nfs/dbraw/zinc/38/95/25/169389525.db2.gz UQECCAKCLSUPFL-CMPLNLGQSA-N 1 3 239.363 0.714 10 0 BCAEHO CCC[C@@H](N)C(=O)NCC[N@H+](CC)CCC ZINC000226406927 169389880 /nfs/dbraw/zinc/38/98/80/169389880.db2.gz VPHURFQQBGUKOX-LLVKDONJSA-N 1 3 229.368 0.962 10 0 BCAEHO CCC[C@@H](N)C(=O)NCC[N@@H+](CC)CCC ZINC000226406927 169389881 /nfs/dbraw/zinc/38/98/81/169389881.db2.gz VPHURFQQBGUKOX-LLVKDONJSA-N 1 3 229.368 0.962 10 0 BCAEHO CCC[C@@H](N)C(=O)NC[C@H](C1CC1)[NH+](C)C ZINC000236958853 169388961 /nfs/dbraw/zinc/38/89/61/169388961.db2.gz DNDDPPOFJQCNQT-GHMZBOCLSA-N 1 3 227.352 0.570 10 0 BCAEHO CCC[C@@H](N)C(=O)NC[C@H]1CC[N@H+](CC)C1 ZINC000037484145 169390850 /nfs/dbraw/zinc/39/08/50/169390850.db2.gz LIBPAYKIQVGIIL-GHMZBOCLSA-N 1 3 227.352 0.572 10 0 BCAEHO CCC[C@@H](N)C(=O)NC[C@H]1CC[N@@H+](CC)C1 ZINC000037484145 169390852 /nfs/dbraw/zinc/39/08/52/169390852.db2.gz LIBPAYKIQVGIIL-GHMZBOCLSA-N 1 3 227.352 0.572 10 0 BCAEHO C[C@H](NC[C@H]1CCCN1C)[C@@H]1CC[NH2+]C1 ZINC000400343482 384194884 /nfs/dbraw/zinc/19/48/84/384194884.db2.gz IFCGKZZSZVVEKY-QJPTWQEYSA-N 1 3 211.353 0.668 10 0 BCAEHO CC(C)(C)OC(=O)NCC(C)(CN)C[NH3+] ZINC000095080039 384357879 /nfs/dbraw/zinc/35/78/79/384357879.db2.gz CQXSVWKBHARJMV-UHFFFAOYSA-N 1 3 217.313 0.435 10 0 BCAEHO CCC[C@H](N)C(=O)NCC[N@@H+]1CCC[C@@H](C)C1 ZINC000236855323 384661795 /nfs/dbraw/zinc/66/17/95/384661795.db2.gz GXKSXNBTHMELBS-NEPJUHHUSA-N 1 3 241.379 0.962 10 0 BCAEHO CCC[C@H](N)C(=O)NCC[N@H+]1CCC[C@@H](C)C1 ZINC000236855323 384661799 /nfs/dbraw/zinc/66/17/99/384661799.db2.gz GXKSXNBTHMELBS-NEPJUHHUSA-N 1 3 241.379 0.962 10 0 BCAEHO CCC[C@H](N)C(=O)NC[C@H](C1CC1)[NH+](C)C ZINC000236873723 384719218 /nfs/dbraw/zinc/71/92/18/384719218.db2.gz DNDDPPOFJQCNQT-WDEREUQCSA-N 1 3 227.352 0.570 10 0 BCAEHO CC[C@H](C)[C@@H](N)C(=O)N1CCC([C@@H](C)[NH3+])CC1 ZINC000178855955 384759816 /nfs/dbraw/zinc/75/98/16/384759816.db2.gz RHUOPVYFGGCSNK-HOSYDEDBSA-N 1 3 241.379 0.946 10 0 BCAEHO COC(=O)CCCC[N@@H+]1C[C@@H](C)[C@@H](CN)C1 ZINC000601327209 384765052 /nfs/dbraw/zinc/76/50/52/384765052.db2.gz SLWOVJPURIINBS-MNOVXSKESA-N 1 3 228.336 0.856 10 0 BCAEHO COC(=O)CCCC[N@H+]1C[C@@H](C)[C@@H](CN)C1 ZINC000601327209 384765056 /nfs/dbraw/zinc/76/50/56/384765056.db2.gz SLWOVJPURIINBS-MNOVXSKESA-N 1 3 228.336 0.856 10 0 BCAEHO C[NH+](C)[C@H]1CCN(C(=O)[C@@H](N)C2CCC2)C1 ZINC000335050913 384783053 /nfs/dbraw/zinc/78/30/53/384783053.db2.gz LDNLIPROXPNRAD-QWRGUYRKSA-N 1 3 225.336 0.276 10 0 BCAEHO CN(CCNC(=O)[C@@H]1CC[C@@H]([NH3+])C1)C1CC1 ZINC000227801024 385245344 /nfs/dbraw/zinc/24/53/44/385245344.db2.gz OZRHZZTZRBUMRX-NXEZZACHSA-N 1 3 225.336 0.324 10 0 BCAEHO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)C1(N)CCCC1 ZINC000193545307 385401262 /nfs/dbraw/zinc/40/12/62/385401262.db2.gz IYDYZEUAQMOMFT-VHSXEESVSA-N 1 3 225.336 0.515 10 0 BCAEHO CN[C@H](C)C(=O)NC[C@@H](C)C[NH+]1CCCCC1 ZINC000054075660 385594587 /nfs/dbraw/zinc/59/45/87/385594587.db2.gz JCDGMDQPTJSIOV-VXGBXAGGSA-N 1 3 241.379 0.833 10 0 BCAEHO C[C@H](CCC1CC1)NC[C@@H]1C[NH2+]C[C@@H]1O ZINC000309502507 385640987 /nfs/dbraw/zinc/64/09/87/385640987.db2.gz MBTFMFLUGDPIFO-USWWRNFRSA-N 1 3 212.337 0.735 10 0 BCAEHO CN(C)[C@H]1CCN(C(=O)C[C@H]2CCC[NH2+]C2)C1 ZINC000062972390 385778547 /nfs/dbraw/zinc/77/85/47/385778547.db2.gz FKUCWYAIPALOHO-NEPJUHHUSA-N 1 3 239.363 0.539 10 0 BCAEHO CC[NH2+][C@H](C)C(=O)N1CCN2CCC[C@H]2C1 ZINC000638107343 385834862 /nfs/dbraw/zinc/83/48/62/385834862.db2.gz HPFHFRYDPMPVNY-MNOVXSKESA-N 1 3 225.336 0.291 10 0 BCAEHO CC[NH2+][C@@H](C)C(=O)N1CCN2CCC[C@H]2C1 ZINC000638107344 385835541 /nfs/dbraw/zinc/83/55/41/385835541.db2.gz HPFHFRYDPMPVNY-QWRGUYRKSA-N 1 3 225.336 0.291 10 0 BCAEHO CCN(CC)CC(=O)N1CCCC[C@H]1C[NH3+] ZINC000130861400 386188531 /nfs/dbraw/zinc/18/85/31/386188531.db2.gz PLTSXNXVWZSAHO-NSHDSACASA-N 1 3 227.352 0.668 10 0 BCAEHO C[NH+](C)C[C@H]1CCN(CCCCO)C1 ZINC000336676389 386324555 /nfs/dbraw/zinc/32/45/55/386324555.db2.gz XJMCRDDWBQPQDD-LLVKDONJSA-N 1 3 200.326 0.642 10 0 BCAEHO CN(C)[C@@H]1CCN(C(=O)C2(C[NH3+])CCCC2)C1 ZINC000062967576 386535652 /nfs/dbraw/zinc/53/56/52/386535652.db2.gz RUKISHLNPJJBNL-LLVKDONJSA-N 1 3 239.363 0.668 10 0 BCAEHO CC[C@]1(C(=O)N2CC[C@H](N(C)C)C2)CCC[NH2+]1 ZINC000122113314 386738997 /nfs/dbraw/zinc/73/89/97/386738997.db2.gz YMMKFGHUMQPZFH-WCQYABFASA-N 1 3 239.363 0.681 10 0 BCAEHO CN(C)[C@H]1CCN(C(=O)[C@]2(C)CC[NH2+]C2)C1 ZINC000062972092 387189708 /nfs/dbraw/zinc/18/97/08/387189708.db2.gz AACNKRFNAPDOPY-CMPLNLGQSA-N 1 3 225.336 0.149 10 0 BCAEHO CC[C@H](C)[C@H](C)NC[C@@H]1C[NH2+]C[C@H]1O ZINC000423402224 387237316 /nfs/dbraw/zinc/23/73/16/387237316.db2.gz GUMRKRMAGYNKAQ-XWLWVQCSSA-N 1 3 200.326 0.591 10 0 BCAEHO CC[C@H](C)[C@H](C)[NH2+]C[C@@H]1CNC[C@H]1O ZINC000423402224 387237319 /nfs/dbraw/zinc/23/73/19/387237319.db2.gz GUMRKRMAGYNKAQ-XWLWVQCSSA-N 1 3 200.326 0.591 10 0 BCAEHO CC[C@@H]([NH3+])C(=O)N[C@@H]1CCCN(CC)C1 ZINC000040503635 387836265 /nfs/dbraw/zinc/83/62/65/387836265.db2.gz JFXCAGRZGXVKIM-NXEZZACHSA-N 1 3 213.325 0.324 10 0 BCAEHO CN(C)C[C@H]1CCCN1C(=O)[C@H]1CC[NH2+]C1 ZINC000062116981 387850435 /nfs/dbraw/zinc/85/04/35/387850435.db2.gz WMTZBYKIIAEXKB-WDEREUQCSA-N 1 3 225.336 0.149 10 0 BCAEHO CN1CCC(NC(=O)[C@H]2CC[C@@H]([NH3+])C2)CC1 ZINC000085010086 388082952 /nfs/dbraw/zinc/08/29/52/388082952.db2.gz IPHSCXXPTNTFBL-VHSXEESVSA-N 1 3 225.336 0.324 10 0 BCAEHO O[C@@H]1C[NH2+]C[C@@H]1CN[C@H]1CCCSC1 ZINC000261528541 135154118 /nfs/dbraw/zinc/15/41/18/135154118.db2.gz QYPKOILLFGISIH-KXUCPTDWSA-N 1 3 216.350 0.052 10 0 BCAEHO CC(C)[C@H]([NH3+])CC(=O)N1CCN2CCC1CC2 ZINC000646449869 388360354 /nfs/dbraw/zinc/36/03/54/388360354.db2.gz CCZDMBYKHKTACY-GFCCVEGCSA-N 1 3 239.363 0.666 10 0 BCAEHO CC(C)(C)[C@H](CO)NC[C@@H]1CCC[NH2+]C1 ZINC000261533454 135164829 /nfs/dbraw/zinc/16/48/29/135164829.db2.gz BAKDYSQGIQWAFQ-MNOVXSKESA-N 1 3 214.353 0.983 10 0 BCAEHO C[C@@H](O)C1CCN(CCOCC[NH3+])CC1 ZINC000235243553 388366224 /nfs/dbraw/zinc/36/62/24/388366224.db2.gz QACSALUKVHEYPV-SNVBAGLBSA-N 1 3 216.325 0.055 10 0 BCAEHO C[C@H](O)C1CCN(CCOCC[NH3+])CC1 ZINC000235526470 388370935 /nfs/dbraw/zinc/37/09/35/388370935.db2.gz QACSALUKVHEYPV-JTQLQIEISA-N 1 3 216.325 0.055 10 0 BCAEHO NC[C@@H]1CCCC[C@H]1[NH2+]CCn1cncn1 ZINC000362975982 388563149 /nfs/dbraw/zinc/56/31/49/388563149.db2.gz IGJKCYPZKLHJLN-WDEREUQCSA-N 1 3 223.324 0.385 10 0 BCAEHO [NH3+]C[C@@H]1CCCC[C@H]1NCCn1cncn1 ZINC000362975982 388563151 /nfs/dbraw/zinc/56/31/51/388563151.db2.gz IGJKCYPZKLHJLN-WDEREUQCSA-N 1 3 223.324 0.385 10 0 BCAEHO C[C@]1(C(=O)N2CCN3CCC[C@H]3C2)CCC[NH2+]1 ZINC000250803635 388740743 /nfs/dbraw/zinc/74/07/43/388740743.db2.gz PSIFQVKECNDDPM-WCQYABFASA-N 1 3 237.347 0.435 10 0 BCAEHO [NH3+]CCCCC(=O)N1CCN2CCC[C@H]2C1 ZINC000069733433 388862537 /nfs/dbraw/zinc/86/25/37/388862537.db2.gz CZNOZEOFYHZDFV-NSHDSACASA-N 1 3 225.336 0.422 10 0 BCAEHO COCCN(C)CCN[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000566091052 388984615 /nfs/dbraw/zinc/98/46/15/388984615.db2.gz YOSSZVPTVPRABU-CHWSQXEVSA-N 1 3 243.395 0.542 10 0 BCAEHO C[C@H]([NH2+]C1CCN(c2ccncc2)CC1)C(N)=O ZINC000035792454 132339735 /nfs/dbraw/zinc/33/97/35/132339735.db2.gz IHGWDQLQDZFMGO-JTQLQIEISA-N 1 3 248.330 0.514 10 0 BCAEHO C[C@@H]([NH2+]C1CCN(c2ccncc2)CC1)C(N)=O ZINC000035792458 132339744 /nfs/dbraw/zinc/33/97/44/132339744.db2.gz IHGWDQLQDZFMGO-SNVBAGLBSA-N 1 3 248.330 0.514 10 0 BCAEHO NCC[NH2+]C1CCN(c2ccncc2)CC1 ZINC000037712742 132344956 /nfs/dbraw/zinc/34/49/56/132344956.db2.gz MCHLJGQZTUVOPP-UHFFFAOYSA-N 1 3 220.320 0.599 10 0 BCAEHO CC1(C)[C@H](O)C[C@H]1N[C@@H]1CCC[NH2+]CC1 ZINC000168176968 134156382 /nfs/dbraw/zinc/15/63/82/134156382.db2.gz ALZFWWPZLYVQRG-GMTAPVOTSA-N 1 3 212.337 0.878 10 0 BCAEHO CCN(CC)CC(=O)NCC[C@@H](C)[NH3+] ZINC000178620067 134907858 /nfs/dbraw/zinc/90/78/58/134907858.db2.gz SYGOYJXSYQPRLQ-SECBINFHSA-N 1 3 201.314 0.182 10 0 BCAEHO CC(C)(C)CCNC[C@H]1C[NH2+]C[C@H]1O ZINC000261527863 135152980 /nfs/dbraw/zinc/15/29/80/135152980.db2.gz AKMXCUFRJCQQBO-VHSXEESVSA-N 1 3 200.326 0.593 10 0 BCAEHO CC(C)(O)CN1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261529494 135155722 /nfs/dbraw/zinc/15/57/22/135155722.db2.gz SPICBADPRIVDQL-VIFPVBQESA-N 1 3 200.326 0.817 10 0 BCAEHO CC(C)(C)[C@H](CO)[NH2+]C[C@@H]1CCCNC1 ZINC000261533454 135164828 /nfs/dbraw/zinc/16/48/28/135164828.db2.gz BAKDYSQGIQWAFQ-MNOVXSKESA-N 1 3 214.353 0.983 10 0 BCAEHO CN(CC1CC(O)C1)C[C@]1(C)CC[NH2+]C1 ZINC000261541679 135182247 /nfs/dbraw/zinc/18/22/47/135182247.db2.gz GAWPHSNRDLVHAU-HTAVTVPLSA-N 1 3 212.337 0.689 10 0 BCAEHO C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)CN ZINC000261548384 135187060 /nfs/dbraw/zinc/18/70/60/135187060.db2.gz NQNJDSUMBBERQI-LLVKDONJSA-N 1 3 235.331 0.582 10 0 BCAEHO C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)CN ZINC000261548384 135187061 /nfs/dbraw/zinc/18/70/61/135187061.db2.gz NQNJDSUMBBERQI-LLVKDONJSA-N 1 3 235.331 0.582 10 0 BCAEHO C[C@]1(CN2CC[C@H](CCO)C2)CC[NH2+]C1 ZINC000261550563 135189478 /nfs/dbraw/zinc/18/94/78/135189478.db2.gz PNZATOBDICAGHZ-NEPJUHHUSA-N 1 3 212.337 0.690 10 0 BCAEHO CC1(C)CCC[C@@H]1NC[C@@H]1C[NH2+]C[C@H]1O ZINC000261552873 135191801 /nfs/dbraw/zinc/19/18/01/135191801.db2.gz RZGBGTPGCKRTPB-AXFHLTTASA-N 1 3 212.337 0.735 10 0 BCAEHO CC1(C)CCC[C@@H]1[NH2+]C[C@@H]1CNC[C@H]1O ZINC000261552873 135191803 /nfs/dbraw/zinc/19/18/03/135191803.db2.gz RZGBGTPGCKRTPB-AXFHLTTASA-N 1 3 212.337 0.735 10 0 BCAEHO CCC[C@H]([NH3+])C(=O)N1CCN[C@H](C)[C@H]1C ZINC000261554497 135194459 /nfs/dbraw/zinc/19/44/59/135194459.db2.gz UHKVXWBENFWRRX-BBBLOLIVSA-N 1 3 213.325 0.323 10 0 BCAEHO C[C@H](CC(=O)N(C)C)[NH2+][C@@H]1CCCC[C@@H]1CN ZINC000261555873 135195892 /nfs/dbraw/zinc/19/58/92/135195892.db2.gz QEZZSBKJEFYBRO-IJLUTSLNSA-N 1 3 241.379 0.960 10 0 BCAEHO C[C@H](CC(=O)N(C)C)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000261555873 135195894 /nfs/dbraw/zinc/19/58/94/135195894.db2.gz QEZZSBKJEFYBRO-IJLUTSLNSA-N 1 3 241.379 0.960 10 0 BCAEHO C[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1CNC[C@H]1O ZINC000261557317 135197800 /nfs/dbraw/zinc/19/78/00/135197800.db2.gz XEZCZCDSEGZZFV-NOOOWODRSA-N 1 3 212.337 0.735 10 0 BCAEHO Cc1cnn(CCN2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)c1 ZINC000261565835 135207977 /nfs/dbraw/zinc/20/79/77/135207977.db2.gz YORJQCWYAQUCTK-AVGNSLFASA-N 1 3 234.347 0.861 10 0 BCAEHO COC(=O)C(C)(C)CNC[C@@H]1CCC[NH2+]C1 ZINC000261570372 135211826 /nfs/dbraw/zinc/21/18/26/135211826.db2.gz GUDFWFQMRHDJSZ-SNVBAGLBSA-N 1 3 228.336 0.775 10 0 BCAEHO COC(=O)C(C)(C)C[NH2+]C[C@@H]1CCCNC1 ZINC000261570372 135211828 /nfs/dbraw/zinc/21/18/28/135211828.db2.gz GUDFWFQMRHDJSZ-SNVBAGLBSA-N 1 3 228.336 0.775 10 0 BCAEHO CC(C)(C)[C@H](N)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000261570135 135211865 /nfs/dbraw/zinc/21/18/65/135211865.db2.gz GSDYJLYCGGCYAF-DTWKUNHWSA-N 1 3 213.325 0.213 10 0 BCAEHO C[NH2+][C@@H](C)CNC(=O)[C@@H](C)N1CCCCCC1 ZINC000261747492 135249833 /nfs/dbraw/zinc/24/98/33/135249833.db2.gz NDGSHZUQJFBBIF-NWDGAFQWSA-N 1 3 241.379 0.975 10 0 BCAEHO O=C1C[C@@]2(CCN(C[C@H]3CCC[NH2+]C3)C2)CN1 ZINC000261758796 135251003 /nfs/dbraw/zinc/25/10/03/135251003.db2.gz CSQPXQXQOZWOPW-AAEUAGOBSA-N 1 3 237.347 0.198 10 0 BCAEHO O=C1C[C@@]2(CC[N@H+](C[C@H]3CCCNC3)C2)CN1 ZINC000261758796 135251004 /nfs/dbraw/zinc/25/10/04/135251004.db2.gz CSQPXQXQOZWOPW-AAEUAGOBSA-N 1 3 237.347 0.198 10 0 BCAEHO O=C1C[C@@]2(CC[N@@H+](C[C@H]3CCCNC3)C2)CN1 ZINC000261758796 135251006 /nfs/dbraw/zinc/25/10/06/135251006.db2.gz CSQPXQXQOZWOPW-AAEUAGOBSA-N 1 3 237.347 0.198 10 0 BCAEHO CCC[C@@H](N)C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000084420112 135251681 /nfs/dbraw/zinc/25/16/81/135251681.db2.gz OLXSDACPDGPYHC-WDEREUQCSA-N 1 3 227.352 0.666 10 0 BCAEHO CCCN1CCC[C@@H]1C(=O)NC[C@@H](C)[NH2+]C ZINC000261766349 135251811 /nfs/dbraw/zinc/25/18/11/135251811.db2.gz OVMHZTOHPUXGLB-GHMZBOCLSA-N 1 3 227.352 0.585 10 0 BCAEHO C[C@H]1CN(C(=O)[C@@H]2CCC[C@@H]2C[NH3+])[C@@H](C)CN1 ZINC000261882837 135260039 /nfs/dbraw/zinc/26/00/39/135260039.db2.gz UIBMRWMUPZDSCG-NNYUYHANSA-N 1 3 239.363 0.570 10 0 BCAEHO C[C@]1(CN2CCC[C@H](c3nc[nH]n3)C2)CC[NH2+]C1 ZINC000261914100 135262809 /nfs/dbraw/zinc/26/28/09/135262809.db2.gz YXHIUOVTUPRXHI-AAEUAGOBSA-N 1 3 249.362 0.984 10 0 BCAEHO CCCN1CCC[C@H]1C(=O)NCC[C@@H](C)[NH3+] ZINC000262544790 135305159 /nfs/dbraw/zinc/30/51/59/135305159.db2.gz ZOCDQILURJUOOU-MNOVXSKESA-N 1 3 227.352 0.714 10 0 BCAEHO C[C@@H]1NCCN(C(=O)[C@@H]2CC[C@@H]([NH3+])C2)[C@H]1C ZINC000262738773 135316665 /nfs/dbraw/zinc/31/66/65/135316665.db2.gz DCWSNBVPELJRJP-UKKRHICBSA-N 1 3 225.336 0.323 10 0 BCAEHO CCC1(CNC[C@@H]2C[NH2+]C[C@@H]2O)CCOCC1 ZINC000263151979 135335845 /nfs/dbraw/zinc/33/58/45/135335845.db2.gz DDNIGIFGLHWMGH-RYUDHWBXSA-N 1 3 242.363 0.363 10 0 BCAEHO CCC1(C[NH2+]C[C@@H]2CNC[C@@H]2O)CCOCC1 ZINC000263151979 135335847 /nfs/dbraw/zinc/33/58/47/135335847.db2.gz DDNIGIFGLHWMGH-RYUDHWBXSA-N 1 3 242.363 0.363 10 0 BCAEHO C[C@@H](CNC(=O)C1C[NH2+]C1)N1CCC[C@@H](C)C1 ZINC000263260210 135343499 /nfs/dbraw/zinc/34/34/99/135343499.db2.gz GFDGARKWMPDBSB-MNOVXSKESA-N 1 3 239.363 0.442 10 0 BCAEHO CC(C)N1CCCC[C@@H]1C(=O)N1CC[C@@H]([NH3+])C1 ZINC000335388059 136089673 /nfs/dbraw/zinc/08/96/73/136089673.db2.gz BFHSYECAPLNCEQ-VXGBXAGGSA-N 1 3 239.363 0.809 10 0 BCAEHO CCN1CC[C@H](NC[C@H](O)C[NH+]2CCCC2)C1 ZINC000389214692 398050955 /nfs/dbraw/zinc/05/09/55/398050955.db2.gz CMAJTGCAMHDQQW-STQMWFEESA-N 1 3 241.379 0.127 10 0 BCAEHO C/C(=C/Cl)CN1CCC(O)(C[NH3+])CC1 ZINC000397073806 398098851 /nfs/dbraw/zinc/09/88/51/398098851.db2.gz BNOQMPFEOGKAEQ-TWGQIWQCSA-N 1 3 218.728 0.915 10 0 BCAEHO CCC[C@@](C)(N)C(=O)NC[C@H](C)[NH2+]C ZINC000389634898 398117934 /nfs/dbraw/zinc/11/79/34/398117934.db2.gz NTBPGTVTNCVDTF-WCBMZHEXSA-N 1 3 201.314 0.228 10 0 BCAEHO C[N@H+](C[C@H](O)CNC[C@@H](O)C(C)(C)C)C1CC1 ZINC000324238157 487562161 /nfs/dbraw/zinc/56/21/61/487562161.db2.gz AKLREDSGRMPJAL-VXGBXAGGSA-N 1 3 244.379 0.438 10 0 BCAEHO C[N@@H+](C[C@H](O)CNC[C@@H](O)C(C)(C)C)C1CC1 ZINC000324238157 487562167 /nfs/dbraw/zinc/56/21/67/487562167.db2.gz AKLREDSGRMPJAL-VXGBXAGGSA-N 1 3 244.379 0.438 10 0 BCAEHO C[C@H](CNC(=O)[C@@]1(C)CCC[NH2+]1)N(C)C ZINC000070618976 409802185 /nfs/dbraw/zinc/80/21/85/409802185.db2.gz GWOVGCIQKHTMOY-MWLCHTKSSA-N 1 3 213.325 0.195 10 0 BCAEHO C[C@H](N[C@H](CO)C1CCC1)[C@@H]1CC[NH2+]C1 ZINC000665234943 410726318 /nfs/dbraw/zinc/72/63/18/410726318.db2.gz MPBBBMRORQGBNK-MVWJERBFSA-N 1 3 212.337 0.735 10 0 BCAEHO CN1CCC[C@@H](NC(=O)C2CCC([NH3+])CC2)C1 ZINC000040673656 410883926 /nfs/dbraw/zinc/88/39/26/410883926.db2.gz DPDJHYZWLALFHX-HTAVTVPLSA-N 1 3 239.363 0.714 10 0 BCAEHO CC(C)[C@@H](CN(C)C)N1C[C@H]([NH3+])CC1=O ZINC000049224557 167395961 /nfs/dbraw/zinc/39/59/61/167395961.db2.gz LAVOUWLTQGTXPB-NXEZZACHSA-N 1 3 213.325 0.132 10 0 BCAEHO C[C@H]([NH2+]CC(C)(C)CO)[C@@H]1CCCNC1 ZINC000643475086 411169095 /nfs/dbraw/zinc/16/90/95/411169095.db2.gz ZPUYRCWJEBJUSB-WDEREUQCSA-N 1 3 214.353 0.983 10 0 BCAEHO C[C@H](NCC(C)(C)CO)[C@@H]1CCC[NH2+]C1 ZINC000643475086 411169102 /nfs/dbraw/zinc/16/91/02/411169102.db2.gz ZPUYRCWJEBJUSB-WDEREUQCSA-N 1 3 214.353 0.983 10 0 BCAEHO CC(C)[C@H]([NH3+])CC(=O)NCCN1CCCC1 ZINC000128914079 411189550 /nfs/dbraw/zinc/18/95/50/411189550.db2.gz JUWXWNNOPVHFTQ-LLVKDONJSA-N 1 3 227.352 0.572 10 0 BCAEHO C[C@H]([NH2+][C@@H]1CCNC1=O)C1CCN(C)CC1 ZINC000658052323 411220238 /nfs/dbraw/zinc/22/02/38/411220238.db2.gz BYALAOCOTZKZGD-GXSJLCMTSA-N 1 3 225.336 0.195 10 0 BCAEHO CN(C)[C@@H]1CCN(C(=O)CC[C@H]2CCC[NH2+]2)C1 ZINC000310544791 411241290 /nfs/dbraw/zinc/24/12/90/411241290.db2.gz DGQBZWDOAOFPAF-VXGBXAGGSA-N 1 3 239.363 0.681 10 0 BCAEHO CN(C)[C@H]1CCN(C(=O)CC[C@@H]2CCC[NH2+]2)C1 ZINC000310544790 411241341 /nfs/dbraw/zinc/24/13/41/411241341.db2.gz DGQBZWDOAOFPAF-RYUDHWBXSA-N 1 3 239.363 0.681 10 0 BCAEHO CC1(CNC[C@H](O)C[NH+]2CCCCC2)COC1 ZINC000336668363 168042489 /nfs/dbraw/zinc/04/24/89/168042489.db2.gz AHPOUOUHWCTMAF-LBPRGKRZSA-N 1 3 242.363 0.459 10 0 BCAEHO CC1CCC(OC[C@@H](O)CNCCC[NH3+])CC1 ZINC000051356053 168168448 /nfs/dbraw/zinc/16/84/48/168168448.db2.gz HXUVRFQWZOTRJI-CPCZMJQVSA-N 1 3 244.379 0.881 10 0 BCAEHO CCN1CCC(NC(=O)[C@@H]2C[NH2+]C[C@H]2C)CC1 ZINC000111270152 169954654 /nfs/dbraw/zinc/95/46/54/169954654.db2.gz JOWOOPQJDMHKBZ-ZYHUDNBSSA-N 1 3 239.363 0.442 10 0 BCAEHO CCNC(=O)[C@@H](C)[NH2+][C@H](C)[C@@H]1CCCN(C)C1 ZINC000036794715 170089072 /nfs/dbraw/zinc/08/90/72/170089072.db2.gz CLGLQNBIMAWYHA-IJLUTSLNSA-N 1 3 241.379 0.831 10 0 BCAEHO CC[NH2+]C(C)(C)C(=O)N[C@H](C)CN1CCCC1 ZINC000061299042 170107372 /nfs/dbraw/zinc/10/73/72/170107372.db2.gz YNOFGZNGLYRRHQ-LLVKDONJSA-N 1 3 241.379 0.975 10 0 BCAEHO CC[NH2+]C[C@@H](C)CN(C)CCN(C)C ZINC000082542679 170119448 /nfs/dbraw/zinc/11/94/48/170119448.db2.gz MLKGSZZGSJGXME-LLVKDONJSA-N 1 3 201.358 0.725 10 0 BCAEHO CC[NH2+]C[C@@H]1CCN([C@@H]2CCN(C)C2)C1 ZINC000053031648 170120441 /nfs/dbraw/zinc/12/04/41/170120441.db2.gz WUMDBVRLBJKYOV-NWDGAFQWSA-N 1 3 211.353 0.622 10 0 BCAEHO CC[NH2+]C[C@H](C)C(=O)N[C@@H](C)CN1CCCC1 ZINC000061267721 170121871 /nfs/dbraw/zinc/12/18/71/170121871.db2.gz JOIJZXHCTBZHNW-RYUDHWBXSA-N 1 3 241.379 0.833 10 0 BCAEHO CC[NH2+][C@@H](C)CC(=O)NC[C@H]1CCCN(C)C1 ZINC000061274361 170139364 /nfs/dbraw/zinc/13/93/64/170139364.db2.gz APWXAVIZYXHQER-NWDGAFQWSA-N 1 3 241.379 0.833 10 0 BCAEHO CC[NH2+][C@H](C)C1CCN([C@@H](CC)C(N)=O)CC1 ZINC000104424814 170156726 /nfs/dbraw/zinc/15/67/26/170156726.db2.gz DOWCNXZZXQJPIB-PWSUYJOCSA-N 1 3 241.379 0.960 10 0 BCAEHO CC[NH2+][C@H](C)CC(=O)N[C@@H]1CN2CCC1CC2 ZINC000061269070 170156898 /nfs/dbraw/zinc/15/68/98/170156898.db2.gz JMLIPWCYNPXVFF-ZYHUDNBSSA-N 1 3 239.363 0.585 10 0 BCAEHO CC[NH2+][C@H](CCN1CCCCC1)C(N)=O ZINC000062441885 170161482 /nfs/dbraw/zinc/16/14/82/170161482.db2.gz GJHZRBCKZCRQDR-SNVBAGLBSA-N 1 3 213.325 0.326 10 0 BCAEHO CC[C@@H](N)C(=O)N(CCC[NH+](C)C)CCOC ZINC000037826810 170861775 /nfs/dbraw/zinc/86/17/75/170861775.db2.gz UQQBDRAFHPCJFV-LLVKDONJSA-N 1 3 245.367 0.150 10 0 BCAEHO CC[C@@H]1COCCN1CC1(O)CC[NH2+]CC1 ZINC000051015993 171107058 /nfs/dbraw/zinc/10/70/58/171107058.db2.gz NGOULRPFWWUNCF-LLVKDONJSA-N 1 3 228.336 0.212 10 0 BCAEHO CC[C@H](C)[NH2+]CC(=O)N[C@@H](C)CN1CCCC1 ZINC000049184905 171339739 /nfs/dbraw/zinc/33/97/39/171339739.db2.gz TWYHDPIYZRWLAR-RYUDHWBXSA-N 1 3 241.379 0.975 10 0 BCAEHO CC[C@H](C)[C@H](CN)[N@@H+]1CCCN(C)CC1 ZINC000037228110 171392257 /nfs/dbraw/zinc/39/22/57/171392257.db2.gz LJZKWSCHOXQVDK-RYUDHWBXSA-N 1 3 213.369 0.997 10 0 BCAEHO CC[C@H](C)[C@H](CN)[N@H+]1CCCN(C)CC1 ZINC000037228110 171392259 /nfs/dbraw/zinc/39/22/59/171392259.db2.gz LJZKWSCHOXQVDK-RYUDHWBXSA-N 1 3 213.369 0.997 10 0 BCAEHO CC[C@H]([NH2+]C)C(=O)N1C[C@H]2CCCN2C[C@@H]1C ZINC000662460085 412183618 /nfs/dbraw/zinc/18/36/18/412183618.db2.gz PSZASMAIFRHLAU-TUAOUCFPSA-N 1 3 239.363 0.680 10 0 BCAEHO COC[C@H](CC[NH2+]C1CCNCC1)OC ZINC000665235378 412174462 /nfs/dbraw/zinc/17/44/62/412174462.db2.gz VGVQBJRBXZQMGB-NSHDSACASA-N 1 3 216.325 0.380 10 0 BCAEHO COC[C@H](CCNC1CC[NH2+]CC1)OC ZINC000665235378 412174465 /nfs/dbraw/zinc/17/44/65/412174465.db2.gz VGVQBJRBXZQMGB-NSHDSACASA-N 1 3 216.325 0.380 10 0 BCAEHO COC[C@H](CCN[C@@H](C)[C@H]1CC[NH2+]C1)OC ZINC000665235770 412174780 /nfs/dbraw/zinc/17/47/80/412174780.db2.gz ZRKRYBUZCBIHTG-SRVKXCTJSA-N 1 3 230.352 0.626 10 0 BCAEHO C[NH2+][C@H](C)C(=O)N[C@@H]1CCN(C(C)(C)C)C1 ZINC000662619170 412244599 /nfs/dbraw/zinc/24/45/99/412244599.db2.gz JEFUGNBSWIVMGN-NXEZZACHSA-N 1 3 227.352 0.583 10 0 BCAEHO CN[C@H](C)C(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000662619170 412244602 /nfs/dbraw/zinc/24/46/02/412244602.db2.gz JEFUGNBSWIVMGN-NXEZZACHSA-N 1 3 227.352 0.583 10 0 BCAEHO CN[C@H](C)C(=O)N[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000662619170 412244605 /nfs/dbraw/zinc/24/46/05/412244605.db2.gz JEFUGNBSWIVMGN-NXEZZACHSA-N 1 3 227.352 0.583 10 0 BCAEHO C[C@@H](NCCOCCF)[C@H]1CCC[NH2+]C1 ZINC000665299546 412247905 /nfs/dbraw/zinc/24/79/05/412247905.db2.gz OVQPDAZXOYXEHX-MNOVXSKESA-N 1 3 218.316 0.950 10 0 BCAEHO C[C@@H]([NH2+]CCOCCF)[C@H]1CCCNC1 ZINC000665299546 412247907 /nfs/dbraw/zinc/24/79/07/412247907.db2.gz OVQPDAZXOYXEHX-MNOVXSKESA-N 1 3 218.316 0.950 10 0 BCAEHO CC[C@H](C)[C@@H](N)C(=O)NCC[C@@H](C)[NH+](C)C ZINC000662629654 412248976 /nfs/dbraw/zinc/24/89/76/412248976.db2.gz AWLRUFBIOJGVHU-HBNTYKKESA-N 1 3 229.368 0.816 10 0 BCAEHO CN(C)C(=O)CC[NH2+]C[C@H]1CCN(C2CC2)C1 ZINC000037904467 172360518 /nfs/dbraw/zinc/36/05/18/172360518.db2.gz LJQJBFQYSDJLDG-LLVKDONJSA-N 1 3 239.363 0.539 10 0 BCAEHO CN(C)C(=O)CCNC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000037904467 172360521 /nfs/dbraw/zinc/36/05/21/172360521.db2.gz LJQJBFQYSDJLDG-LLVKDONJSA-N 1 3 239.363 0.539 10 0 BCAEHO CN(C)C(=O)CCNC[C@H]1CC[N@H+](C2CC2)C1 ZINC000037904467 172360523 /nfs/dbraw/zinc/36/05/23/172360523.db2.gz LJQJBFQYSDJLDG-LLVKDONJSA-N 1 3 239.363 0.539 10 0 BCAEHO CN(C)C(=O)[C@H]1CCCN1[C@@H]1CCC[C@@H]1C[NH3+] ZINC000036128547 172386263 /nfs/dbraw/zinc/38/62/63/172386263.db2.gz TWRSXMVMRCWHMT-IJLUTSLNSA-N 1 3 239.363 0.666 10 0 BCAEHO CN(C)C[C@H]1CCCN1C(=O)[C@@H]1CC[NH2+]C1 ZINC000062116979 172494796 /nfs/dbraw/zinc/49/47/96/172494796.db2.gz WMTZBYKIIAEXKB-GHMZBOCLSA-N 1 3 225.336 0.149 10 0 BCAEHO CN1CCCN(C[C@H]([NH3+])C(C)(C)C)CC1 ZINC000034679422 173018336 /nfs/dbraw/zinc/01/83/36/173018336.db2.gz YGWIFMXGPCNIKL-NSHDSACASA-N 1 3 213.369 0.997 10 0 BCAEHO CN1CCC[C@@H]1CNC(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000226394107 173030109 /nfs/dbraw/zinc/03/01/09/173030109.db2.gz LMXPUBXYQKQWEK-GMTAPVOTSA-N 1 3 225.336 0.324 10 0 BCAEHO CN(C(=O)C(C)(C)C[NH3+])[C@H]1CCCN(C)C1 ZINC000053245188 173044772 /nfs/dbraw/zinc/04/47/72/173044772.db2.gz JJBRRSFUZRAJAF-JTQLQIEISA-N 1 3 227.352 0.524 10 0 BCAEHO CN1CC[C@@H](NC(=O)C[C@@H]2CCC[NH2+]C2)C1 ZINC000054291465 173121533 /nfs/dbraw/zinc/12/15/33/173121533.db2.gz OPBBGAPCTKVEMG-WDEREUQCSA-N 1 3 225.336 0.196 10 0 BCAEHO CN1CC[C@@H](NC(=O)C2CCC([NH3+])CC2)C1 ZINC000042549079 173122299 /nfs/dbraw/zinc/12/22/99/173122299.db2.gz QGHIIJVOTFPRAH-VQXHTEKXSA-N 1 3 225.336 0.324 10 0 BCAEHO CN(CC1CCC1)[C@]1(C[NH3+])CCN(C)C1 ZINC000061990804 173134868 /nfs/dbraw/zinc/13/48/68/173134868.db2.gz KYUSEKYQJRQVAR-LBPRGKRZSA-N 1 3 211.353 0.751 10 0 BCAEHO CN(C[C@H]1CC[N@H+](C)C1)[C@@H](CN)c1cccnc1 ZINC000071188106 173144035 /nfs/dbraw/zinc/14/40/35/173144035.db2.gz QJDWHBYCBDWLPQ-JSGCOSHPSA-N 1 3 248.374 0.965 10 0 BCAEHO CN(C[C@H]1CC[N@@H+](C)C1)[C@@H](CN)c1cccnc1 ZINC000071188106 173144038 /nfs/dbraw/zinc/14/40/38/173144038.db2.gz QJDWHBYCBDWLPQ-JSGCOSHPSA-N 1 3 248.374 0.965 10 0 BCAEHO CNC(=O)C1CC[NH+]([C@H]2CCC[C@@H]2CN)CC1 ZINC000036128606 173223432 /nfs/dbraw/zinc/22/34/32/173223432.db2.gz DTRVHBJVVAGVCX-NEPJUHHUSA-N 1 3 239.363 0.572 10 0 BCAEHO CNC(=O)C1CCN([C@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000036128606 173223433 /nfs/dbraw/zinc/22/34/33/173223433.db2.gz DTRVHBJVVAGVCX-NEPJUHHUSA-N 1 3 239.363 0.572 10 0 BCAEHO C[NH2+]C1CCN([C@H]2CCCN(C)C2)CC1 ZINC000040715849 173323804 /nfs/dbraw/zinc/32/38/04/173323804.db2.gz ZAHDAYSVVLTLDP-LBPRGKRZSA-N 1 3 211.353 0.764 10 0 BCAEHO C[NH2+]CC1(CN2CC[C@@H](O)C2)CCCC1 ZINC000061711774 173337827 /nfs/dbraw/zinc/33/78/27/173337827.db2.gz NVMNYWLJWJNQAJ-LLVKDONJSA-N 1 3 212.337 0.833 10 0 BCAEHO C[NH2+]C[C@H](O)CN(C)C1CCCCC1 ZINC000019863970 173376232 /nfs/dbraw/zinc/37/62/32/173376232.db2.gz DDDGBYUIYJBQMJ-NSHDSACASA-N 1 3 200.326 0.831 10 0 BCAEHO C[NH2+]C[C@H](O)CN1CCCCCCC1 ZINC000020265478 173376561 /nfs/dbraw/zinc/37/65/61/173376561.db2.gz GVDQKSLZOXFXGE-NSHDSACASA-N 1 3 200.326 0.833 10 0 BCAEHO C[NH2+]C[C@H]1CC[C@H](CN2CCCOCC2)O1 ZINC000061935853 173382670 /nfs/dbraw/zinc/38/26/70/173382670.db2.gz BJTCLERBXIGFGL-VXGBXAGGSA-N 1 3 228.336 0.476 10 0 BCAEHO COC1CCN(CCN2CC[NH2+]CC2)CC1 ZINC000037482580 174028199 /nfs/dbraw/zinc/02/81/99/174028199.db2.gz QAAYRHCFLYFMCB-UHFFFAOYSA-N 1 3 227.352 0.002 10 0 BCAEHO COCCCN1CCN(CCCCC[NH3+])CC1 ZINC000037753588 174230820 /nfs/dbraw/zinc/23/08/20/174230820.db2.gz RYDKTVUIUYAAMF-UHFFFAOYSA-N 1 3 243.395 0.770 10 0 BCAEHO COCCCN1C[C@@H](C)O[C@@H](CC[NH3+])C1 ZINC000071519815 174234629 /nfs/dbraw/zinc/23/46/29/174234629.db2.gz UHUDQYWGILOVCK-MNOVXSKESA-N 1 3 216.325 0.461 10 0 BCAEHO COCCN1C[C@H](C)C[NH2+]C[C@@H](C)C1 ZINC000049665424 174318166 /nfs/dbraw/zinc/31/81/66/174318166.db2.gz ZKXFJKCYUKCGFA-GHMZBOCLSA-N 1 3 200.326 0.810 10 0 BCAEHO COCC[NH2+]C[C@@H]1CCCN(CCN(C)C)C1 ZINC000053658481 174334844 /nfs/dbraw/zinc/33/48/44/174334844.db2.gz PDIQOCQUBOQZIT-ZDUSSCGKSA-N 1 3 243.395 0.496 10 0 BCAEHO C[C@@H]1CC[NH2+][C@@H](C(=O)N2CC[C@@H](N(C)C)C2)C1 ZINC000229253986 176185973 /nfs/dbraw/zinc/18/59/73/176185973.db2.gz MVDOVQDIXOGFIL-IJLUTSLNSA-N 1 3 239.363 0.537 10 0 BCAEHO C[C@@H]1CN(C2(C[NH3+])CCN(C)CC2)C[C@@H](C)O1 ZINC000019518351 176280081 /nfs/dbraw/zinc/28/00/81/176280081.db2.gz ZIFBKRTYDGHCCU-VXGBXAGGSA-N 1 3 241.379 0.519 10 0 BCAEHO C[C@@H]1CN(C2(C[NH3+])CCN(C)CC2)[C@H](C)CO1 ZINC000035783551 176280888 /nfs/dbraw/zinc/28/08/88/176280888.db2.gz UKUNPAYQAZGTIS-VXGBXAGGSA-N 1 3 241.379 0.519 10 0 BCAEHO C[C@@H]1C[NH2+]CCN1CCN1CCCCC1 ZINC000054374282 176327246 /nfs/dbraw/zinc/32/72/46/176327246.db2.gz XDEKMWKGATZFOH-GFCCVEGCSA-N 1 3 211.353 0.766 10 0 BCAEHO C[C@@H]1C[NH2+]C[C@H]1C(=O)N1CCC[C@H](N(C)C)C1 ZINC000091392095 176330252 /nfs/dbraw/zinc/33/02/52/176330252.db2.gz KGWHQKPQZACPBW-GRYCIOLGSA-N 1 3 239.363 0.395 10 0 BCAEHO C[C@@H]1C[NH2+]C[C@H]1C(=O)NC[C@@H]1CCCN1C ZINC000226082734 176330330 /nfs/dbraw/zinc/33/03/30/176330330.db2.gz KTLJUBFSQJANOW-OUAUKWLOSA-N 1 3 225.336 0.052 10 0 BCAEHO C[C@@H]1C[NH2+]C[C@H]1C(=O)N(C)CCN1CCCC1 ZINC000104206502 176330346 /nfs/dbraw/zinc/33/03/46/176330346.db2.gz DTVKYMYMEXPUJS-VXGBXAGGSA-N 1 3 239.363 0.396 10 0 BCAEHO C[C@H](CN1CCCC1)NC(=O)[C@@H]1CC[NH2+]C1 ZINC000062116461 176664522 /nfs/dbraw/zinc/66/45/22/176664522.db2.gz OGKIOFJEZAARHK-GHMZBOCLSA-N 1 3 225.336 0.196 10 0 BCAEHO C[C@H]1CC[N@@H+](C2(CN)CCN(C)CC2)C1 ZINC000040717223 177157382 /nfs/dbraw/zinc/15/73/82/177157382.db2.gz VXOZMLQDDFYOJT-NSHDSACASA-N 1 3 211.353 0.751 10 0 BCAEHO C[C@H]1CC[N@H+](C2(CN)CCN(C)CC2)C1 ZINC000040717223 177157383 /nfs/dbraw/zinc/15/73/83/177157383.db2.gz VXOZMLQDDFYOJT-NSHDSACASA-N 1 3 211.353 0.751 10 0 BCAEHO C[C@H]1CC[C@@H](C[NH3+])CN1CCN1CCOCC1 ZINC000042427417 177189334 /nfs/dbraw/zinc/18/93/34/177189334.db2.gz DMGYJROMOLJUHY-STQMWFEESA-N 1 3 241.379 0.378 10 0 BCAEHO C[C@H]1CC[C@H](C(=O)NCCN2CCCC2)C[NH2+]1 ZINC000054134667 177197566 /nfs/dbraw/zinc/19/75/66/177197566.db2.gz AZUFJRBUGMYFLB-RYUDHWBXSA-N 1 3 239.363 0.587 10 0 BCAEHO C[C@H](NCCN1CCSCC1)[C@H]1CC[NH2+]C1 ZINC000400344086 226341449 /nfs/dbraw/zinc/34/14/49/226341449.db2.gz IHTBPYCJCAHZNR-RYUDHWBXSA-N 1 3 243.420 0.623 10 0 BCAEHO CC(C)[C@H]([NH3+])CC(=O)N[C@H]1CCN(C)[C@@H](C)C1 ZINC000228493779 487663344 /nfs/dbraw/zinc/66/33/44/487663344.db2.gz IZFRHBSXYVZLKM-SDDRHHMPSA-N 1 3 241.379 0.959 10 0 BCAEHO CN[C@H](C)C(=O)NC[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000662593858 487663978 /nfs/dbraw/zinc/66/39/78/487663978.db2.gz QJRIWXTZCYNMNQ-MNOVXSKESA-N 1 3 241.379 0.831 10 0 BCAEHO CN[C@H](C)C(=O)NC[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000662593858 487663982 /nfs/dbraw/zinc/66/39/82/487663982.db2.gz QJRIWXTZCYNMNQ-MNOVXSKESA-N 1 3 241.379 0.831 10 0 BCAEHO CN1CCC[C@H](NC(=O)[C@H]2CCC[NH2+]C2)C1 ZINC000088033360 487699354 /nfs/dbraw/zinc/69/93/54/487699354.db2.gz DMQAXSAXUNVKPW-QWRGUYRKSA-N 1 3 225.336 0.196 10 0 BCAEHO C[C@@H](CO)CN1CC[C@H](C[NH+](C)C)C1 ZINC000120967936 490072351 /nfs/dbraw/zinc/07/23/51/490072351.db2.gz USNPBYCYCPTMMN-GHMZBOCLSA-N 1 3 200.326 0.498 10 0 BCAEHO CN1CCC[C@H](NC(=O)C[C@H]2CCC[NH2+]C2)C1 ZINC000250610497 487735250 /nfs/dbraw/zinc/73/52/50/487735250.db2.gz MMGHLOMIDDJUKY-NEPJUHHUSA-N 1 3 239.363 0.587 10 0 BCAEHO CN(C)[C@@H]1CCN(C(=O)[C@@H]2CCC[C@@H]2[NH3+])C1 ZINC000082921800 487754128 /nfs/dbraw/zinc/75/41/28/487754128.db2.gz KMJWFMWTNAZNCF-MXWKQRLJSA-N 1 3 225.336 0.276 10 0 BCAEHO C[C@@H](C(=O)N1CC[C@H](N(C)C)C1)[C@H](C)[NH3+] ZINC000165440819 324149485 /nfs/dbraw/zinc/14/94/85/324149485.db2.gz ZJPDSVBDMJYIJN-UTLUCORTSA-N 1 3 213.325 0.132 10 0 BCAEHO C[C@H](N[C@@H]1COCC1(C)C)[C@@H]1CC[NH2+]C1 ZINC000400343799 324166864 /nfs/dbraw/zinc/16/68/64/324166864.db2.gz GLJIVBRDXPDMOE-HBNTYKKESA-N 1 3 212.337 0.999 10 0 BCAEHO CCC[C@H](C(=O)N1CC[C@@H]([NH+](C)C)C1)N(C)C ZINC000133056242 325263935 /nfs/dbraw/zinc/26/39/35/325263935.db2.gz SIAMNQFQKKEOGF-VXGBXAGGSA-N 1 3 241.379 0.879 10 0 BCAEHO CN(C)CCNC(=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000084308626 488043238 /nfs/dbraw/zinc/04/32/38/488043238.db2.gz MRLIZTSGGGMNSD-ZJUUUORDSA-N 1 3 213.325 0.039 10 0 BCAEHO CN(C)[C@@H]1CCN(C(=O)C[C@@H]2CC[NH2+]C2)C1 ZINC000084383385 488049073 /nfs/dbraw/zinc/04/90/73/488049073.db2.gz SLFYGDGLRQBGCU-WDEREUQCSA-N 1 3 225.336 0.149 10 0 BCAEHO CCCN1CC[C@@H](NC(=O)[C@@H]2CC[NH2+]C2)C1 ZINC000389248794 488083740 /nfs/dbraw/zinc/08/37/40/488083740.db2.gz BDBSZMXMHAQVMD-GHMZBOCLSA-N 1 3 225.336 0.196 10 0 BCAEHO CCC[N@@H+]1CC[C@H](NC(=O)[C@H](N)[C@H](C)CC)C1 ZINC000389568951 488102511 /nfs/dbraw/zinc/10/25/11/488102511.db2.gz AGSMDHWRIWUOCL-GRYCIOLGSA-N 1 3 241.379 0.960 10 0 BCAEHO CCC[N@H+]1CC[C@H](NC(=O)[C@H](N)[C@H](C)CC)C1 ZINC000389568951 488102513 /nfs/dbraw/zinc/10/25/13/488102513.db2.gz AGSMDHWRIWUOCL-GRYCIOLGSA-N 1 3 241.379 0.960 10 0 BCAEHO CCCN1CC[C@@H](NC(=O)[C@@]2(C)CCC[NH2+]2)C1 ZINC000389662447 488104445 /nfs/dbraw/zinc/10/44/45/488104445.db2.gz SDKKBSRBSCPWJT-DGCLKSJQSA-N 1 3 239.363 0.729 10 0 BCAEHO CCCN1CC[C@H](NC(=O)[C@H]2CCC[NH2+]C2)C1 ZINC000389664981 488105842 /nfs/dbraw/zinc/10/58/42/488105842.db2.gz SVTUSMVGTSHXGT-RYUDHWBXSA-N 1 3 239.363 0.587 10 0 BCAEHO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)N[C@@H]1CCCN(C)C1 ZINC000094647401 487547943 /nfs/dbraw/zinc/54/79/43/487547943.db2.gz HCSXGRKUJOKGLN-TUAOUCFPSA-N 1 3 239.363 0.585 10 0 BCAEHO CC[C@@H](N)C(=O)NC[C@@H](C)[NH+](CC)CC ZINC000152850766 488205210 /nfs/dbraw/zinc/20/52/10/488205210.db2.gz KFDLTVASYZJUJY-NXEZZACHSA-N 1 3 215.341 0.570 10 0 BCAEHO O=C(C[C@@H]1CCC[NH2+]C1)NCCN1CCCC1 ZINC000054293031 488238048 /nfs/dbraw/zinc/23/80/48/488238048.db2.gz ACOYRPDDQUBWMC-LBPRGKRZSA-N 1 3 239.363 0.588 10 0 BCAEHO C[C@H](CC(C)(C)C[NH3+])N1CC[C@@H]1C(N)=O ZINC000757143745 582524184 /nfs/dbraw/zinc/52/41/84/582524184.db2.gz HOOJWKBQVVOYAM-RKDXNWHRSA-N 1 3 213.325 0.310 10 0 BCAEHO CC(C)C[C@H](CO)N[C@@H](C)[C@H]1CC[NH2+]C1 ZINC000400336033 528549339 /nfs/dbraw/zinc/54/93/39/528549339.db2.gz DHOJGNOSDHRFLH-SDDRHHMPSA-N 1 3 214.353 0.981 10 0 BCAEHO CCC[C@@H](N)C(=O)N[C@@](C)(C[NH3+])C(C)C ZINC000261539781 535347599 /nfs/dbraw/zinc/34/75/99/535347599.db2.gz DDEKGASMRVWXJO-KOLCDFICSA-N 1 3 215.341 0.603 10 0 BCAEHO CCC[C@H](N)C(=O)N[C@](C)(C[NH3+])CC(C)C ZINC000262420174 535680445 /nfs/dbraw/zinc/68/04/45/535680445.db2.gz FGGSWPMIVJYOQJ-JQWIXIFHSA-N 1 3 229.368 0.994 10 0 BCAEHO [NH3+][C@H]1CCC[C@H]1C(=O)Nc1ccnn1C1CNC1 ZINC000725258076 566303897 /nfs/dbraw/zinc/30/38/97/566303897.db2.gz FLVUOTMMIOGDTG-ZJUUUORDSA-N 1 3 249.318 0.093 10 0 BCAEHO CCC(C)(C)[NH2+]C[C@]12C[C@@]1(C(=O)OC)CNC2 ZINC000675074004 566454193 /nfs/dbraw/zinc/45/41/93/566454193.db2.gz PQCAVGWMFQKGJS-OLZOCXBDSA-N 1 3 240.347 0.917 10 0 BCAEHO CCC(C)(C)NC[C@]12C[C@@]1(C(=O)OC)C[NH2+]C2 ZINC000675074004 566454197 /nfs/dbraw/zinc/45/41/97/566454197.db2.gz PQCAVGWMFQKGJS-OLZOCXBDSA-N 1 3 240.347 0.917 10 0 BCAEHO C1[NH2+]CC12CCN[C@@]1(CCCSC1)O2 ZINC000757144596 582525548 /nfs/dbraw/zinc/52/55/48/582525548.db2.gz GDBKUDHRKAZKKJ-JTQLQIEISA-N 1 3 214.334 0.562 10 0 BCAEHO CC1([NH3+])CCC(N2CC[C@@H]2C(N)=O)CC1 ZINC000757155969 582539546 /nfs/dbraw/zinc/53/95/46/582539546.db2.gz JNCNUAIHLDUNPM-INWMGODYSA-N 1 3 211.309 0.206 10 0 BCAEHO C[NH2+]C1CCC(N2CC[C@H]2C(N)=O)CC1 ZINC000757157476 582540707 /nfs/dbraw/zinc/54/07/07/582540707.db2.gz NORBJOVNFGLXJZ-RTBKNWGFSA-N 1 3 211.309 0.077 10 0 BCAEHO [NH3+]CC[C@H]1CC[C@H](c2cncnc2)NC1 ZINC000757218607 582561505 /nfs/dbraw/zinc/56/15/05/582561505.db2.gz VGZWHQXLTYLDJH-MWLCHTKSSA-N 1 3 206.293 0.866 10 0 BCAEHO [NH3+]CC[C@@H]1CC[C@@H](c2cncnc2)NC1 ZINC000757218608 582561759 /nfs/dbraw/zinc/56/17/59/582561759.db2.gz VGZWHQXLTYLDJH-ONGXEEELSA-N 1 3 206.293 0.866 10 0 BCAEHO N[C@H]1CC[NH2+]C[C@@H]1c1ccc(C=O)s1 ZINC000757211750 586438946 /nfs/dbraw/zinc/43/89/46/586438946.db2.gz IRRNYTIDPJLBBJ-IUCAKERBSA-N 1 3 210.302 0.965 10 0 BCAEHO NC[C@H]1C[NH2+]C[C@@H](c2cccc(N)c2)C1 ZINC000757212352 586439299 /nfs/dbraw/zinc/43/92/99/586439299.db2.gz IJWRMZNZQGGTBM-ONGXEEELSA-N 1 3 205.305 0.921 10 0 BCAEHO Nc1cccc([C@@H]2CNC[C@H](C[NH3+])C2)c1 ZINC000757212352 586439300 /nfs/dbraw/zinc/43/93/00/586439300.db2.gz IJWRMZNZQGGTBM-ONGXEEELSA-N 1 3 205.305 0.921 10 0 BCAEHO [NH3+][C@@H]1CNCC[C@@H]1c1ccc(C=O)s1 ZINC000757212907 586439310 /nfs/dbraw/zinc/43/93/10/586439310.db2.gz KCWKCLOWBKZSNE-DTWKUNHWSA-N 1 3 210.302 0.965 10 0 BCAEHO [NH3+][C@H]1CNCC[C@H]1c1ccc(C=O)s1 ZINC000757212905 586439666 /nfs/dbraw/zinc/43/96/66/586439666.db2.gz KCWKCLOWBKZSNE-BDAKNGLRSA-N 1 3 210.302 0.965 10 0 BCAEHO Cc1ccc(N)cc1[C@H]1C[NH2+]CC[C@@H]1N ZINC000757236313 586443800 /nfs/dbraw/zinc/44/38/00/586443800.db2.gz OCSYHAZWUMODFY-NEPJUHHUSA-N 1 3 205.305 0.981 10 0 BCAEHO Cc1ccc(N)cc1[C@H]1CNCC[C@@H]1[NH3+] ZINC000757236313 586443802 /nfs/dbraw/zinc/44/38/02/586443802.db2.gz OCSYHAZWUMODFY-NEPJUHHUSA-N 1 3 205.305 0.981 10 0 BCAEHO C[C@@H]1CN(c2ccnc(CO)c2)C[C@@H]1[NH+](C)C ZINC000124784846 590085393 /nfs/dbraw/zinc/08/53/93/590085393.db2.gz FKAAGLFREJPDMB-MFKMUULPSA-N 1 3 235.331 0.960 10 0 BCAEHO CN(C)[C@H]1CCN(C(=O)[C@@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000220311807 592299190 /nfs/dbraw/zinc/29/91/90/592299190.db2.gz BTFGQEZMLFJZNK-UTUOFQBUSA-N 1 3 239.363 0.666 10 0 BCAEHO CCC[C@H](N)C(=O)N(C)CC[C@@H]([NH3+])C(C)C ZINC000237035985 635708539 /nfs/dbraw/zinc/70/85/39/635708539.db2.gz UIKSGWNYWKTSDY-MNOVXSKESA-N 1 3 229.368 0.946 10 0 BCAEHO CC(C)OC[C@H](O)CN1CCC[C@@H](C[NH3+])C1 ZINC000226126973 640732992 /nfs/dbraw/zinc/73/29/92/640732992.db2.gz CKVSPNKZYMMXIP-NWDGAFQWSA-N 1 3 230.352 0.443 10 0 BCAEHO CCCCOC[C@H](O)CN1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000227911600 640853616 /nfs/dbraw/zinc/85/36/16/640853616.db2.gz XTUMVRPZDPJKCN-JHJVBQTASA-N 1 3 244.379 0.833 10 0 BCAEHO CC(C)OC[C@@H](O)CN1CCCC[C@@H]1CC[NH3+] ZINC000070149638 642421932 /nfs/dbraw/zinc/42/19/32/642421932.db2.gz WZTAZBCETYBBNF-OLZOCXBDSA-N 1 3 244.379 0.976 10 0 BCAEHO CCN1CCC[C@@H](NC(=O)[C@H]([NH3+])CC2CC2)C1 ZINC000306111873 642722398 /nfs/dbraw/zinc/72/23/98/642722398.db2.gz WNKNCTZDNNXZCL-VXGBXAGGSA-N 1 3 239.363 0.714 10 0 BCAEHO CC(C)OC[C@H](O)CN(C)CC(C)(C)C[NH3+] ZINC000086638516 644158920 /nfs/dbraw/zinc/15/89/20/644158920.db2.gz ONICGYBVYDLWOJ-LLVKDONJSA-N 1 3 232.368 0.689 10 0 BCAEHO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)[C@@H](N)C(C)(C)C ZINC000193566367 644255790 /nfs/dbraw/zinc/25/57/90/644255790.db2.gz JOQBCTLVHBGJES-IVZWLZJFSA-N 1 3 227.352 0.617 10 0 BCAEHO C(CN1CCCCCC1)N[C@H]1CC[NH2+]C1 ZINC000086729188 644470782 /nfs/dbraw/zinc/47/07/82/644470782.db2.gz OTQHICAQXAVYGR-LBPRGKRZSA-N 1 3 211.353 0.814 10 0 BCAEHO CC(C)OC[C@@H](O)CN1CCCC[C@H]1CC[NH3+] ZINC000250593910 644769733 /nfs/dbraw/zinc/76/97/33/644769733.db2.gz WZTAZBCETYBBNF-STQMWFEESA-N 1 3 244.379 0.976 10 0 BCAEHO C[C@H]1CN(c2ccnc(CO)c2)C[C@H]1[NH+](C)C ZINC000251630580 644815167 /nfs/dbraw/zinc/81/51/67/644815167.db2.gz FKAAGLFREJPDMB-GXFFZTMASA-N 1 3 235.331 0.960 10 0 BCAEHO C[C@H](Cn1cccn1)[NH2+][C@H]1CCC[C@H]1CN ZINC000251784844 644822256 /nfs/dbraw/zinc/82/22/56/644822256.db2.gz UKERGDCECRYPFB-WOPDTQHZSA-N 1 3 222.336 0.989 10 0 BCAEHO CCC[C@H]([NH3+])C(=O)NCCN1CCCC1 ZINC000036873254 712506815 /nfs/dbraw/zinc/50/68/15/712506815.db2.gz BJSFOIWZNDXYFV-JTQLQIEISA-N 1 3 213.325 0.326 10 0 BCAEHO C[C@@H](NCC1CC[NH2+]CC1)c1cn(C)nn1 ZINC000720584272 712854907 /nfs/dbraw/zinc/85/49/07/712854907.db2.gz PWIDCASSLVVETM-SECBINFHSA-N 1 3 223.324 0.465 10 0 BCAEHO C(NC1CC[NH2+]CC1)[C@H]1C[C@@H]2COC[C@@H]2O1 ZINC000724621048 711600208 /nfs/dbraw/zinc/60/02/08/711600208.db2.gz PQWSQAUZVBOIRW-JLLWLGSASA-N 1 3 226.320 0.132 10 0 BCAEHO C([NH2+]C1CCNCC1)[C@H]1C[C@@H]2COC[C@@H]2O1 ZINC000724621048 711600210 /nfs/dbraw/zinc/60/02/10/711600210.db2.gz PQWSQAUZVBOIRW-JLLWLGSASA-N 1 3 226.320 0.132 10 0 BCAEHO [NH3+][C@@H]1CC[C@@H]2CN(CCO[C@H]3CCOC3)C[C@H]12 ZINC000724919772 711628203 /nfs/dbraw/zinc/62/82/03/711628203.db2.gz AGYOJVPDEKJSGF-MROQNXINSA-N 1 3 240.347 0.461 10 0 BCAEHO C[C@@H](NC1CCC([NH3+])CC1)c1cn(C)nn1 ZINC000715916144 712542257 /nfs/dbraw/zinc/54/22/57/712542257.db2.gz XIWVQVCWMPBBES-XNWIYYODSA-N 1 3 223.324 0.736 10 0 BCAEHO C[C@@H](N[C@@H](C)CCCC[NH3+])c1cn(C)nn1 ZINC000720585467 712854693 /nfs/dbraw/zinc/85/46/93/712854693.db2.gz XQMKIYSVPKQQHI-VHSXEESVSA-N 1 3 225.340 0.983 10 0 BCAEHO CCCN(CCN(C)C)C(=O)[C@H]1CC[NH2+]C1 ZINC000062116703 349438403 /nfs/dbraw/zinc/43/84/03/349438403.db2.gz DYEJYKFZEFLJIQ-NSHDSACASA-N 1 3 227.352 0.396 10 0 BCAEHO Nc1ccccc1[C@H]1CNCCN1CC[NH3+] ZINC000616635513 398208437 /nfs/dbraw/zinc/20/84/37/398208437.db2.gz AWWFNEYODFYLKD-GFCCVEGCSA-N 1 3 220.320 0.174 10 0 BCAEHO Cc1cc(NC[C@@H]2CNCCO2)cc[nH+]1 ZINC000229577295 178167889 /nfs/dbraw/zinc/16/78/89/178167889.db2.gz KBTIIMPDXVSWED-NSHDSACASA-N 1 3 207.277 0.790 10 0 BCAEHO Cc1cnn(CCN2C[C@H](C)[C@@H](C[NH3+])C2)c1 ZINC000631838663 398285775 /nfs/dbraw/zinc/28/57/75/398285775.db2.gz SKXJRDRUHUSHPI-RYUDHWBXSA-N 1 3 222.336 0.718 10 0 BCAEHO Nc1ccncc1C(=O)[C@@H]1C=C[C@H]([NH3+])C1 ZINC000226561034 342829111 /nfs/dbraw/zinc/82/91/11/342829111.db2.gz KFZXFKJXJQWVMM-SFYZADRCSA-N 1 3 203.245 0.750 10 0 BCAEHO C[C@H](CN1CCCSCC1)C(N)=[NH2+] ZINC000042444052 362000802 /nfs/dbraw/zinc/00/08/02/362000802.db2.gz IBRDTTUCRPUTAX-MRVPVSSYSA-N 1 3 201.339 0.997 10 0 BCAEHO CCC[C@H](N)C(=O)NCC[N@H+](CC)C1CC1 ZINC000167205268 136244953 /nfs/dbraw/zinc/24/49/53/136244953.db2.gz OBRQFLCSTXCIER-NSHDSACASA-N 1 3 227.352 0.714 10 0 BCAEHO CCC[C@H](N)C(=O)NCC[N@@H+](CC)C1CC1 ZINC000167205268 136244954 /nfs/dbraw/zinc/24/49/54/136244954.db2.gz OBRQFLCSTXCIER-NSHDSACASA-N 1 3 227.352 0.714 10 0 BCAEHO COC(=O)CC[NH2+]C[C@H]1CCCCN1 ZINC000234537215 342930116 /nfs/dbraw/zinc/93/01/16/342930116.db2.gz WCCFVADIXVIMKB-SECBINFHSA-N 1 3 200.282 0.281 10 0 BCAEHO CCC[C@H](N)C(=O)NCC(C)(C)C[NH+](C)C ZINC000036872700 342992984 /nfs/dbraw/zinc/99/29/84/342992984.db2.gz BSDKZIMQHMXCOQ-JTQLQIEISA-N 1 3 229.368 0.818 10 0 BCAEHO C[C@@H]1C[NH2+]C[C@H]1C(=O)N[C@H]1CCN(C)[C@@H](C)C1 ZINC000235301608 343009380 /nfs/dbraw/zinc/00/93/80/343009380.db2.gz OXQFWAQTUDMMPG-NOOOWODRSA-N 1 3 239.363 0.441 10 0 BCAEHO CCC[C@@H](N)C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000236956460 343116124 /nfs/dbraw/zinc/11/61/24/343116124.db2.gz RORXKMAGFTWYFA-NXEZZACHSA-N 1 3 213.325 0.230 10 0 BCAEHO C[C@@H](CNC(=O)[C@@H]1CC[NH2+]C1)N1CCCC1 ZINC000161069739 343204261 /nfs/dbraw/zinc/20/42/61/343204261.db2.gz IANIBNRXGRXXDU-WDEREUQCSA-N 1 3 225.336 0.196 10 0 BCAEHO CC(C)N1CCN([C@H]2CCC[NH2+]C2)CC1 ZINC000036190011 187250023 /nfs/dbraw/zinc/25/00/23/187250023.db2.gz TZABVBWKWBTORZ-LBPRGKRZSA-N 1 3 211.353 0.764 10 0 BCAEHO C[C@H]1CN(CCc2ccnn2C)C[C@@H]1C[NH3+] ZINC000634688257 343246593 /nfs/dbraw/zinc/24/65/93/343246593.db2.gz NGNWUBDIBMRLQA-QWRGUYRKSA-N 1 3 222.336 0.489 10 0 BCAEHO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)[C@@H](C)N ZINC000086188871 343613891 /nfs/dbraw/zinc/61/38/91/343613891.db2.gz PZGFLEBUPBKANG-NXEZZACHSA-N 1 3 213.325 0.276 10 0 BCAEHO CC[N@H+]1CCC[C@@H]1CN(C)C(=O)[C@@H](C)N ZINC000086188871 343613894 /nfs/dbraw/zinc/61/38/94/343613894.db2.gz PZGFLEBUPBKANG-NXEZZACHSA-N 1 3 213.325 0.276 10 0 BCAEHO CC(C)C[C@H](CN(C)C)[NH2+]C[C@@H](O)CN(C)C ZINC000049555474 187270576 /nfs/dbraw/zinc/27/05/76/187270576.db2.gz HFSLPKYXODJENV-CHWSQXEVSA-N 1 3 245.411 0.475 10 0 BCAEHO CCC[C@H](N)C(=O)N1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000381315072 344495201 /nfs/dbraw/zinc/49/52/01/344495201.db2.gz MRYJRIUZKSAGLI-BBBLOLIVSA-N 1 3 213.325 0.310 10 0 BCAEHO CCN1CCC[C@@H](NC(=O)CC[NH2+]C)C1 ZINC000043605767 344529473 /nfs/dbraw/zinc/52/94/73/344529473.db2.gz UVLQLZGYUQFSQC-SNVBAGLBSA-N 1 3 213.325 0.196 10 0 BCAEHO C(N1CCN2CCCC[C@H]2C1)C12CC(C1)C[NH2+]2 ZINC000634992107 345179755 /nfs/dbraw/zinc/17/97/55/345179755.db2.gz DLCYSHHHAJDZTJ-MOKVOYLWSA-N 1 3 235.375 0.909 10 0 BCAEHO CCN1CCC[C@H](NC(=O)[C@H]2CC[C@@H]([NH3+])C2)C1 ZINC000246160164 345250865 /nfs/dbraw/zinc/25/08/65/345250865.db2.gz LTFJBELSHVTYHV-TUAOUCFPSA-N 1 3 239.363 0.714 10 0 BCAEHO CC(C)[C@H](CN)[N@H+](C)[C@@H]1CCCN(C)C1 ZINC000053206259 187303907 /nfs/dbraw/zinc/30/39/07/187303907.db2.gz RQIDAFRTIRXCAD-NEPJUHHUSA-N 1 3 213.369 0.996 10 0 BCAEHO CC(C)[C@H](CN)[N@@H+](C)[C@@H]1CCCN(C)C1 ZINC000053206259 187303908 /nfs/dbraw/zinc/30/39/08/187303908.db2.gz RQIDAFRTIRXCAD-NEPJUHHUSA-N 1 3 213.369 0.996 10 0 BCAEHO C[C@H](N)C(=O)N1CC[C@]2(CC[C@H]([NH3+])C2)C1 ZINC000095088894 346024538 /nfs/dbraw/zinc/02/45/38/346024538.db2.gz LJZPIHKVFRNITN-QXEWZRGKSA-N 1 3 211.309 0.064 10 0 BCAEHO CC(C)[C@H](N)C(=O)N1CC[C@]2(CC[C@H]([NH3+])C2)C1 ZINC000095088011 346024297 /nfs/dbraw/zinc/02/42/97/346024297.db2.gz NBOXBFFCKZYLAM-GVXVVHGQSA-N 1 3 239.363 0.700 10 0 BCAEHO CC(C)[C@H](N)C(=O)N1CC[C@@]2(CC[C@H]([NH3+])C2)C1 ZINC000095088013 346024358 /nfs/dbraw/zinc/02/43/58/346024358.db2.gz NBOXBFFCKZYLAM-GMXVVIOVSA-N 1 3 239.363 0.700 10 0 BCAEHO CN1CC[C@@H]([NH2+]C[C@@H]2CCCN(C)C2)C1 ZINC000054243555 187316961 /nfs/dbraw/zinc/31/69/61/187316961.db2.gz VKURHBUGMZKBGC-NWDGAFQWSA-N 1 3 211.353 0.622 10 0 BCAEHO CCN1CCC[C@@H](NC(=O)CCCC[NH3+])C1 ZINC000069733713 349956365 /nfs/dbraw/zinc/95/63/65/349956365.db2.gz BYKAPLJAIKVORI-LLVKDONJSA-N 1 3 227.352 0.716 10 0 BCAEHO c1c([C@@H]2CCCN2)nnn1C[C@H]1CCC[NH2+]1 ZINC000725241172 537977987 /nfs/dbraw/zinc/97/79/87/537977987.db2.gz ARXOVRIIOAPXTJ-ZJUUUORDSA-N 1 3 221.308 0.455 10 0 BCAEHO CCC[C@H](N)C(=O)NCC1=CC[NH2+]CC1 ZINC000186367780 346503982 /nfs/dbraw/zinc/50/39/82/346503982.db2.gz VSDKIKUIDNAUKW-JTQLQIEISA-N 1 3 211.309 0.150 10 0 BCAEHO [NH3+][C@@H]1CCC[C@@H](NCCn2cncn2)C1 ZINC000381739947 346786474 /nfs/dbraw/zinc/78/64/74/346786474.db2.gz YZEUMPHCOXMIKL-NXEZZACHSA-N 1 3 209.297 0.138 10 0 BCAEHO CCN(CC)CC(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000170855322 346798645 /nfs/dbraw/zinc/79/86/45/346798645.db2.gz TXDIIVZLERDXPW-NSHDSACASA-N 1 3 227.352 0.491 10 0 BCAEHO CO[C@@H](C)CN1CCC[NH2+]C[C@H](C)C1 ZINC000299893032 347151316 /nfs/dbraw/zinc/15/13/16/347151316.db2.gz GXTQWJCHSMTNPB-QWRGUYRKSA-N 1 3 200.326 0.953 10 0 BCAEHO CC(C)[C@H](N)C(=O)N[C@@H]1CCC[C@H]1C[NH3+] ZINC000261557899 535057595 /nfs/dbraw/zinc/05/75/95/535057595.db2.gz XVFDTONOFSCQTO-AEJSXWLSSA-N 1 3 213.325 0.213 10 0 BCAEHO COC(=O)CCN1C[C@H](C)[C@H](C[NH3+])C1 ZINC000601325471 347207158 /nfs/dbraw/zinc/20/71/58/347207158.db2.gz CTXYITVUWVUQHN-DTWKUNHWSA-N 1 3 200.282 0.076 10 0 BCAEHO CC[N@H+](C)[C@H]1CC2(CC[C@@H]1N)OCCO2 ZINC000037078690 348019182 /nfs/dbraw/zinc/01/91/82/348019182.db2.gz HMJMXCPDWSXRRC-UWVGGRQHSA-N 1 3 214.309 0.561 10 0 BCAEHO CC[N@@H+](C)[C@H]1CC2(CC[C@@H]1N)OCCO2 ZINC000037078690 348019184 /nfs/dbraw/zinc/01/91/84/348019184.db2.gz HMJMXCPDWSXRRC-UWVGGRQHSA-N 1 3 214.309 0.561 10 0 BCAEHO CCN1CCC(NC(=O)[C@H]2CCC[NH2+]C2)CC1 ZINC000038098245 348052726 /nfs/dbraw/zinc/05/27/26/348052726.db2.gz JERVVYFGDAILND-NSHDSACASA-N 1 3 239.363 0.587 10 0 BCAEHO CC[C@@H](C)[C@H](N)C(=O)NCC[C@@H](C)[NH3+] ZINC000308976550 323183117 /nfs/dbraw/zinc/18/31/17/323183117.db2.gz GTUYSUUHKNRYKI-HLTSFMKQSA-N 1 3 201.314 0.213 10 0 BCAEHO CN(C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1)C1CC1 ZINC000669382897 538005400 /nfs/dbraw/zinc/00/54/00/538005400.db2.gz NLBGKVRQSCACLP-NWDGAFQWSA-N 1 3 210.321 0.849 10 0 BCAEHO Cc1cc([C@@H]2CC[NH2+]C[C@@H]2N)cc(N)n1 ZINC000669385067 538020205 /nfs/dbraw/zinc/02/02/05/538020205.db2.gz WHMRVVYPAUIWCY-UWVGGRQHSA-N 1 3 206.293 0.376 10 0 BCAEHO Cc1cc([C@@H]2CCNC[C@@H]2[NH3+])cc(N)n1 ZINC000669385067 538020210 /nfs/dbraw/zinc/02/02/10/538020210.db2.gz WHMRVVYPAUIWCY-UWVGGRQHSA-N 1 3 206.293 0.376 10 0 BCAEHO CN1CCC(C(=O)N[C@@]23CC[C@@H]2C[NH2+]C3)CC1 ZINC000616573575 349069376 /nfs/dbraw/zinc/06/93/76/349069376.db2.gz SPLLOWMPCZQWIZ-DGCLKSJQSA-N 1 3 237.347 0.196 10 0 BCAEHO CN(C)[C@@H]1CCN(C(=O)[C@]2(C)CCC[NH2+]2)C1 ZINC000070619354 350029729 /nfs/dbraw/zinc/02/97/29/350029729.db2.gz AJEDOOLIOILYPY-PWSUYJOCSA-N 1 3 225.336 0.291 10 0 BCAEHO C[C@@H](NC1CC1)C(=O)Nc1ccnn1C1C[NH2+]C1 ZINC000725258283 538072810 /nfs/dbraw/zinc/07/28/10/538072810.db2.gz NCWOPXRICBYLOR-MRVPVSSYSA-N 1 3 249.318 0.106 10 0 BCAEHO O=C(CC[NH2+]C1CC1)Nc1ccnn1C1CNC1 ZINC000725258850 538077358 /nfs/dbraw/zinc/07/73/58/538077358.db2.gz GPJJWEOQIZKXCQ-UHFFFAOYSA-N 1 3 249.318 0.108 10 0 BCAEHO C[C@@H]1C[NH2+]CCN1c1cc2c(nn1)CCN(C)C2 ZINC000725264864 538091951 /nfs/dbraw/zinc/09/19/51/538091951.db2.gz NDERRHXITNCGQV-SNVBAGLBSA-N 1 3 247.346 0.263 10 0 BCAEHO C[C@@H]1CN(CCC(C)(C)O)CC[C@H]1[NH3+] ZINC000251617984 350899483 /nfs/dbraw/zinc/89/94/83/350899483.db2.gz DTWMURPQVFZWQE-NXEZZACHSA-N 1 3 200.326 0.817 10 0 BCAEHO NCC[N@@H+]1CCC[C@H](c2ncc[nH]2)CC1 ZINC000616626995 351107020 /nfs/dbraw/zinc/10/70/20/351107020.db2.gz AQTJVEHCQGKGCD-JTQLQIEISA-N 1 3 208.309 0.938 10 0 BCAEHO NCC[N@H+]1CCC[C@H](c2ncc[nH]2)CC1 ZINC000616626995 351107023 /nfs/dbraw/zinc/10/70/23/351107023.db2.gz AQTJVEHCQGKGCD-JTQLQIEISA-N 1 3 208.309 0.938 10 0 BCAEHO [NH3+]CCN1CCN[C@H](c2cccc(CO)c2)C1 ZINC000616633695 351115834 /nfs/dbraw/zinc/11/58/34/351115834.db2.gz FCTNIXHJSBNRSE-ZDUSSCGKSA-N 1 3 235.331 0.084 10 0 BCAEHO [NH3+]CCN1CCNC[C@@H]1c1ccccc1CCO ZINC000616635968 351120194 /nfs/dbraw/zinc/12/01/94/351120194.db2.gz HHWBZJZXMUKKPX-CQSZACIVSA-N 1 3 249.358 0.126 10 0 BCAEHO [NH3+]CCN1CCNC[C@@H]1c1cccc(CCO)c1 ZINC000616636787 351128913 /nfs/dbraw/zinc/12/89/13/351128913.db2.gz OQULVQVKFZXRDL-CQSZACIVSA-N 1 3 249.358 0.126 10 0 BCAEHO CNc1cccc([C@H]2CNCCN2CC[NH3+])c1 ZINC000616637410 351133159 /nfs/dbraw/zinc/13/31/59/351133159.db2.gz XAPCRJMKZKNFNR-CYBMUJFWSA-N 1 3 234.347 0.633 10 0 BCAEHO COc1cccc([C@H]2CN(CC[NH3+])CCN2)c1 ZINC000616656715 351196618 /nfs/dbraw/zinc/19/66/18/351196618.db2.gz RMMPCMOKDSRLTK-CYBMUJFWSA-N 1 3 235.331 0.600 10 0 BCAEHO C[C@@H]1CCCN(CC(C)(C)O)[C@H]1C[NH3+] ZINC000252105709 363068524 /nfs/dbraw/zinc/06/85/24/363068524.db2.gz GZJCTSLYSHROOV-ZJUUUORDSA-N 1 3 200.326 0.817 10 0 BCAEHO CN(C)C1CN(c2nc(C[NH3+])cs2)C1 ZINC000307253125 351783929 /nfs/dbraw/zinc/78/39/29/351783929.db2.gz UPSJDRAQPJUNSU-UHFFFAOYSA-N 1 3 212.322 0.352 10 0 BCAEHO CC[C@H](C(=O)N1CC[C@H]([NH+](C)C)C1)N(C)C ZINC000162599879 323630493 /nfs/dbraw/zinc/63/04/93/323630493.db2.gz ZFYCNLHOUFHZCT-WDEREUQCSA-N 1 3 227.352 0.489 10 0 BCAEHO CCN1CCC[C@H](NC(=O)CCC2C[NH2+]C2)C1 ZINC000638080915 351954212 /nfs/dbraw/zinc/95/42/12/351954212.db2.gz YTGCEOLIRWDLSE-LBPRGKRZSA-N 1 3 239.363 0.587 10 0 BCAEHO CN1CCN(C2CCC3(C[C@@H]3[NH3+])CC2)CC1 ZINC000725270452 538102260 /nfs/dbraw/zinc/10/22/60/538102260.db2.gz NHCOGIMZQSYYLU-CPCZMJQVSA-N 1 3 223.364 0.894 10 0 BCAEHO CCN1CCC[C@H](NC(=O)[C@H]([NH3+])C(C)C)C1 ZINC000040503553 352598001 /nfs/dbraw/zinc/59/80/01/352598001.db2.gz XXOAJFFHLCDXKS-WDEREUQCSA-N 1 3 227.352 0.570 10 0 BCAEHO CCN1CCC[C@@H](NC(=O)[C@H]([NH3+])C(C)C)C1 ZINC000040503555 352598127 /nfs/dbraw/zinc/59/81/27/352598127.db2.gz XXOAJFFHLCDXKS-GHMZBOCLSA-N 1 3 227.352 0.570 10 0 BCAEHO C[C@H]1CSCCN(CC2C[NH2+]C2)C1 ZINC000307590816 352661960 /nfs/dbraw/zinc/66/19/60/352661960.db2.gz CSILEAKXMDETNO-SECBINFHSA-N 1 3 200.351 0.891 10 0 BCAEHO C[C@H]1CSCC[N@H+](CC2CNC2)C1 ZINC000307590816 352661961 /nfs/dbraw/zinc/66/19/61/352661961.db2.gz CSILEAKXMDETNO-SECBINFHSA-N 1 3 200.351 0.891 10 0 BCAEHO C[C@H]1CSCC[N@@H+](CC2CNC2)C1 ZINC000307590816 352661964 /nfs/dbraw/zinc/66/19/64/352661964.db2.gz CSILEAKXMDETNO-SECBINFHSA-N 1 3 200.351 0.891 10 0 BCAEHO CCN1CCC[C@@H]1CNC(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000250320560 353269854 /nfs/dbraw/zinc/26/98/54/353269854.db2.gz NBXAIZHTYVEYSW-QJPTWQEYSA-N 1 3 239.363 0.714 10 0 BCAEHO C[C@@H]1C[C@H](NC(=O)[C@H]2CC[C@H]([NH3+])C2)CCN1C ZINC000252128057 353296674 /nfs/dbraw/zinc/29/66/74/353296674.db2.gz LQRNZVNQSURALF-NOOOWODRSA-N 1 3 239.363 0.713 10 0 BCAEHO CC(C)(C[NH3+])N1CCN(CC2CC2)CC1 ZINC000042489928 188293922 /nfs/dbraw/zinc/29/39/22/188293922.db2.gz GYJYILHGKCVTTF-UHFFFAOYSA-N 1 3 211.353 0.751 10 0 BCAEHO C[NH+]1CCC(C(=O)N2CCCNCC2)CC1 ZINC000049477917 188299267 /nfs/dbraw/zinc/29/92/67/188299267.db2.gz IGKAWOBMGDLPAU-UHFFFAOYSA-N 1 3 225.336 0.150 10 0 BCAEHO CCN1CCC(NC(=O)[C@H]2CC[C@H]([NH3+])C2)CC1 ZINC000091543216 353409148 /nfs/dbraw/zinc/40/91/48/353409148.db2.gz HBMKDIZRNIWEIP-QWRGUYRKSA-N 1 3 239.363 0.714 10 0 BCAEHO CCN1CCC(NC(=O)[C@H]2CC[C@@H]([NH3+])C2)CC1 ZINC000091543219 353409319 /nfs/dbraw/zinc/40/93/19/353409319.db2.gz HBMKDIZRNIWEIP-WDEREUQCSA-N 1 3 239.363 0.714 10 0 BCAEHO NC(=O)C1([NH2+]C2CCCC2)CCNCC1 ZINC000040695232 181214703 /nfs/dbraw/zinc/21/47/03/181214703.db2.gz NJRAGKWVSFWTFD-UHFFFAOYSA-N 1 3 211.309 0.126 10 0 BCAEHO NC(=O)CC1CC[NH+]([C@H]2CCCC[C@H]2N)CC1 ZINC000042438606 181220759 /nfs/dbraw/zinc/22/07/59/181220759.db2.gz NSRVSEUKXSBQSG-NEPJUHHUSA-N 1 3 239.363 0.844 10 0 BCAEHO NC(=O)CCN1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000037918101 181223317 /nfs/dbraw/zinc/22/33/17/181223317.db2.gz CDVHDCCDPLUOKQ-MNOVXSKESA-N 1 3 225.336 0.326 10 0 BCAEHO CC(C)N(CCC[NH+](C)C)CCOCCO ZINC000304363666 192015717 /nfs/dbraw/zinc/01/57/17/192015717.db2.gz SRBCGNKZLNNMKW-UHFFFAOYSA-N 1 3 232.368 0.657 10 0 BCAEHO Cc1nccn1CCC[N@@H+]1C[C@H](N)[C@@H](C)C1 ZINC000420378376 192233269 /nfs/dbraw/zinc/23/32/69/192233269.db2.gz QKOZWEIRPUFKBU-JQWIXIFHSA-N 1 3 222.336 0.861 10 0 BCAEHO Cc1nccn1CCC[N@H+]1C[C@H](N)[C@@H](C)C1 ZINC000420378376 192233272 /nfs/dbraw/zinc/23/32/72/192233272.db2.gz QKOZWEIRPUFKBU-JQWIXIFHSA-N 1 3 222.336 0.861 10 0 BCAEHO c1ncn(CCN[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)n1 ZINC000394295465 357351010 /nfs/dbraw/zinc/35/10/10/357351010.db2.gz PHYAWPHEJWOIGH-XQQFMLRXSA-N 1 3 249.362 0.788 10 0 BCAEHO CCN1CCC[C@@H]1CN(C)C(=O)[C@@H](C)C[NH3+] ZINC000086188181 357871731 /nfs/dbraw/zinc/87/17/31/357871731.db2.gz DKAVEMUYUGDQDG-WDEREUQCSA-N 1 3 227.352 0.524 10 0 BCAEHO C1CC1N1CC[C@@H](N[C@H]2CCC[NH2+]CC2)C1 ZINC000168742010 134247933 /nfs/dbraw/zinc/24/79/33/134247933.db2.gz XRAGHHIXYQXNAA-NWDGAFQWSA-N 1 3 223.364 0.955 10 0 BCAEHO C[NH2+]C[C@H](C)C(=O)N1CC[C@H](N(C)C)C1 ZINC000086068957 358209988 /nfs/dbraw/zinc/20/99/88/358209988.db2.gz AKKGDXZFOSLDOG-UWVGGRQHSA-N 1 3 213.325 0.004 10 0 BCAEHO CCC[C@H](N)C(=O)NC[C@H]1CC[N@@H+](C(C)C)C1 ZINC000040624508 358244591 /nfs/dbraw/zinc/24/45/91/358244591.db2.gz BWVKWBPMZUUGLP-NEPJUHHUSA-N 1 3 241.379 0.960 10 0 BCAEHO CCC[C@H](N)C(=O)NC[C@H]1CC[N@H+](C(C)C)C1 ZINC000040624508 358244594 /nfs/dbraw/zinc/24/45/94/358244594.db2.gz BWVKWBPMZUUGLP-NEPJUHHUSA-N 1 3 241.379 0.960 10 0 BCAEHO C[C@H](CNC(=O)[C@@H]1CC[C@@H]([NH3+])C1)N1CCCC1 ZINC000226540231 358340704 /nfs/dbraw/zinc/34/07/04/358340704.db2.gz HFCLLZWKEAXCSJ-IJLUTSLNSA-N 1 3 239.363 0.714 10 0 BCAEHO C[C@@H]1CN(C[C@@](C)(O)C[NH3+])C[C@H](C)S1 ZINC000306213434 359307417 /nfs/dbraw/zinc/30/74/17/359307417.db2.gz WWPXKMNWLRRXHJ-AEJSXWLSSA-N 1 3 218.366 0.522 10 0 BCAEHO C[C@@H]1C[N@@H+](C[C@@](C)(O)CN)C[C@H](C)S1 ZINC000306213434 359307421 /nfs/dbraw/zinc/30/74/21/359307421.db2.gz WWPXKMNWLRRXHJ-AEJSXWLSSA-N 1 3 218.366 0.522 10 0 BCAEHO C[C@@H]1C[N@H+](C[C@@](C)(O)CN)C[C@H](C)S1 ZINC000306213434 359307426 /nfs/dbraw/zinc/30/74/26/359307426.db2.gz WWPXKMNWLRRXHJ-AEJSXWLSSA-N 1 3 218.366 0.522 10 0 BCAEHO CC[C@](C)([C@H](C)[NH3+])N1C[C@H](O)C[C@H]1C ZINC000306514876 360338065 /nfs/dbraw/zinc/33/80/65/360338065.db2.gz BKYDNJJMIJQODY-LMLFDSFASA-N 1 3 200.326 0.957 10 0 BCAEHO NCC(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000038101713 181348273 /nfs/dbraw/zinc/34/82/73/181348273.db2.gz XYSADQJVTFOQGD-UHFFFAOYSA-N 1 3 211.309 0.032 10 0 BCAEHO C[C@H]1CC[N@H+](CCC(C)(C)O)C[C@H]1N ZINC000252609716 364014476 /nfs/dbraw/zinc/01/44/76/364014476.db2.gz UCVOGPRXVDRZCG-VHSXEESVSA-N 1 3 200.326 0.817 10 0 BCAEHO C[C@H]1CC[N@@H+](CCC(C)(C)O)C[C@H]1N ZINC000252609716 364014479 /nfs/dbraw/zinc/01/44/79/364014479.db2.gz UCVOGPRXVDRZCG-VHSXEESVSA-N 1 3 200.326 0.817 10 0 BCAEHO N[C@@H](CCCC[NH3+])C(=O)N1CC=CCC1 ZINC000013529433 181378861 /nfs/dbraw/zinc/37/88/61/181378861.db2.gz PRNZLJDYWPQSQN-JTQLQIEISA-N 1 3 211.309 0.231 10 0 BCAEHO [NH3+]CCNC(=O)CN1CCCCCCC1 ZINC000040605554 181394648 /nfs/dbraw/zinc/39/46/48/181394648.db2.gz LCWPEODKPBURHL-UHFFFAOYSA-N 1 3 213.325 0.327 10 0 BCAEHO CO[C@H](C)CN[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000580946574 367213402 /nfs/dbraw/zinc/21/34/02/367213402.db2.gz QDZBCHBVKJRBAG-GMTAPVOTSA-N 1 3 200.326 0.999 10 0 BCAEHO CCC[C@H](N)C(=O)N1CC[C@@H](C[NH2+]C)C1 ZINC000381148941 367356435 /nfs/dbraw/zinc/35/64/35/367356435.db2.gz ACCAJTZEMIRQKF-UWVGGRQHSA-N 1 3 213.325 0.182 10 0 BCAEHO CCC[C@H](N)C(=O)N[C@H]1CC[NH2+]C[C@H]1C ZINC000381234730 367368561 /nfs/dbraw/zinc/36/85/61/367368561.db2.gz LQUGBHSHMCQIPW-UTLUCORTSA-N 1 3 213.325 0.228 10 0 BCAEHO C[C@@H]1CN(C(=O)C2CCN(C)CC2)C[C@H]1[NH3+] ZINC000565363002 325901089 /nfs/dbraw/zinc/90/10/89/325901089.db2.gz XUPQIKHIUYINIB-MWLCHTKSSA-N 1 3 225.336 0.134 10 0 BCAEHO C[C@@H]1CN(CC(C)(C)C[NH3+])CC[C@H]1O ZINC000253208110 368616239 /nfs/dbraw/zinc/61/62/39/368616239.db2.gz YJOPRIAPXSQCIU-NXEZZACHSA-N 1 3 200.326 0.674 10 0 BCAEHO C[C@H]1CN(CCOC2CCOCC2)C[C@@H]1C[NH3+] ZINC000631837537 369098038 /nfs/dbraw/zinc/09/80/38/369098038.db2.gz TUPHMPOYOWPGRN-RYUDHWBXSA-N 1 3 242.363 0.709 10 0 BCAEHO COC(=O)CCN1CCC[C@H](C)[C@H]1CC[NH3+] ZINC000404427854 369429410 /nfs/dbraw/zinc/42/94/10/369429410.db2.gz MVQPTKPUMXCTKJ-WDEREUQCSA-N 1 3 228.336 0.999 10 0 BCAEHO COC(=O)CC[N@@H+]1CCC[C@H](C)[C@H]1CCN ZINC000404427854 369429413 /nfs/dbraw/zinc/42/94/13/369429413.db2.gz MVQPTKPUMXCTKJ-WDEREUQCSA-N 1 3 228.336 0.999 10 0 BCAEHO COC(=O)CC[N@H+]1CCC[C@H](C)[C@H]1CCN ZINC000404427854 369429416 /nfs/dbraw/zinc/42/94/16/369429416.db2.gz MVQPTKPUMXCTKJ-WDEREUQCSA-N 1 3 228.336 0.999 10 0 BCAEHO C[C@@H]1[C@H](C)SCC[N@@H+]1C[C@H](O)CN ZINC000132332208 371793630 /nfs/dbraw/zinc/79/36/30/371793630.db2.gz QPAZHGXTIRVRKB-HRDYMLBCSA-N 1 3 204.339 0.132 10 0 BCAEHO C[C@@H]1[C@H](C)SCC[N@H+]1C[C@H](O)CN ZINC000132332208 371793636 /nfs/dbraw/zinc/79/36/36/371793636.db2.gz QPAZHGXTIRVRKB-HRDYMLBCSA-N 1 3 204.339 0.132 10 0 BCAEHO C[C@H]([NH3+])C(C)(C)CN1CCC[C@@H](O)C1 ZINC000227289673 371825412 /nfs/dbraw/zinc/82/54/12/371825412.db2.gz GTWNQWSDPCVZHQ-VHSXEESVSA-N 1 3 200.326 0.817 10 0 BCAEHO C[C@H]1CN(CCn2cccn2)C[C@@H]1C[NH3+] ZINC000631838349 372632098 /nfs/dbraw/zinc/63/20/98/372632098.db2.gz MTGKWWWZHARFAT-QWRGUYRKSA-N 1 3 208.309 0.410 10 0 BCAEHO C[C@@H]1C[N@H+](CCCN2CCOCC2)C[C@@H]1CN ZINC000631838589 372634091 /nfs/dbraw/zinc/63/40/91/372634091.db2.gz QURIGKCMBZXPFM-OLZOCXBDSA-N 1 3 241.379 0.235 10 0 BCAEHO C[C@@H]1C[N@@H+](CCCN2CCOCC2)C[C@@H]1CN ZINC000631838589 372634096 /nfs/dbraw/zinc/63/40/96/372634096.db2.gz QURIGKCMBZXPFM-OLZOCXBDSA-N 1 3 241.379 0.235 10 0 BCAEHO C[C@@H]1CN(CCCN2CCOCC2)C[C@@H]1C[NH3+] ZINC000631838589 372634098 /nfs/dbraw/zinc/63/40/98/372634098.db2.gz QURIGKCMBZXPFM-OLZOCXBDSA-N 1 3 241.379 0.235 10 0 BCAEHO C[C@H]1CN(CCN2CCCC2=O)C[C@H]1C[NH3+] ZINC000631841950 372641589 /nfs/dbraw/zinc/64/15/89/372641589.db2.gz SFFKLXWWAHLKHB-WDEREUQCSA-N 1 3 225.336 0.135 10 0 BCAEHO CCOCCCN1CCC(O)(C[NH3+])CC1 ZINC000071519818 170372548 /nfs/dbraw/zinc/37/25/48/170372548.db2.gz POCLCZIXQDORMG-UHFFFAOYSA-N 1 3 216.325 0.199 10 0 BCAEHO OCCOC1CCN(C[C@@H]2CCC[NH2+]C2)CC1 ZINC000129980296 183083069 /nfs/dbraw/zinc/08/30/69/183083069.db2.gz NSJZAYUVFHTXHT-GFCCVEGCSA-N 1 3 242.363 0.459 10 0 BCAEHO OCCOC1CC[NH+](C[C@@H]2CCCNC2)CC1 ZINC000129980296 183083071 /nfs/dbraw/zinc/08/30/71/183083071.db2.gz NSJZAYUVFHTXHT-GFCCVEGCSA-N 1 3 242.363 0.459 10 0 BCAEHO OC[C@@H]1CCCN(C[C@H]2CCC[NH2+]C2)C1 ZINC000251517765 183118227 /nfs/dbraw/zinc/11/82/27/183118227.db2.gz WIORRWOMXVUXHP-NWDGAFQWSA-N 1 3 212.337 0.690 10 0 BCAEHO OC[C@@H]1CCC[N@H+](C[C@H]2CCCNC2)C1 ZINC000251517765 183118228 /nfs/dbraw/zinc/11/82/28/183118228.db2.gz WIORRWOMXVUXHP-NWDGAFQWSA-N 1 3 212.337 0.690 10 0 BCAEHO OC[C@@H]1CCC[N@@H+](C[C@H]2CCCNC2)C1 ZINC000251517765 183118230 /nfs/dbraw/zinc/11/82/30/183118230.db2.gz WIORRWOMXVUXHP-NWDGAFQWSA-N 1 3 212.337 0.690 10 0 BCAEHO OC[C@@H](C1CCCC1)N1CCC[NH2+]CC1 ZINC000050272997 183102529 /nfs/dbraw/zinc/10/25/29/183102529.db2.gz KRKRHKIIGZHTED-LBPRGKRZSA-N 1 3 212.337 0.833 10 0 BCAEHO CCC[NH+]1CCC([C@H](C)N[C@@H](C)C(N)=O)CC1 ZINC000035792316 169191778 /nfs/dbraw/zinc/19/17/78/169191778.db2.gz MGNBCZXQKHXLDV-QWRGUYRKSA-N 1 3 241.379 0.960 10 0 BCAEHO CCC[NH+]1CCC([C@@H](C)NCC(=O)NC)CC1 ZINC000037224628 169192067 /nfs/dbraw/zinc/19/20/67/169192067.db2.gz FLJUCYFPBZXXKC-LLVKDONJSA-N 1 3 241.379 0.833 10 0 BCAEHO CCC[NH+]1CCC([C@H](C)NCC(=O)NC)CC1 ZINC000037224629 169192077 /nfs/dbraw/zinc/19/20/77/169192077.db2.gz FLJUCYFPBZXXKC-NSHDSACASA-N 1 3 241.379 0.833 10 0 BCAEHO CCC[NH2+]C[C@@H](O)CN1CCN(C(C)C)CC1 ZINC000036170865 169262168 /nfs/dbraw/zinc/26/21/68/169262168.db2.gz FKPULXUPWOSKAT-CYBMUJFWSA-N 1 3 243.395 0.373 10 0 BCAEHO CCC[C@@H](C[NH3+])N1CCN(CCCOC)CC1 ZINC000104057005 169383522 /nfs/dbraw/zinc/38/35/22/169383522.db2.gz PCEMUIFHJXVVJF-ZDUSSCGKSA-N 1 3 243.395 0.768 10 0 BCAEHO CCC[C@@H](N)C(=O)NC[C@@H]1CC[N@@H+](CC)C1 ZINC000037484143 169389399 /nfs/dbraw/zinc/38/93/99/169389399.db2.gz LIBPAYKIQVGIIL-WDEREUQCSA-N 1 3 227.352 0.572 10 0 BCAEHO CCC[C@@H](N)C(=O)NCC(C)(C)[NH+](C)C ZINC000040807235 169389788 /nfs/dbraw/zinc/38/97/88/169389788.db2.gz ZIGXMLBQVJYRNP-SECBINFHSA-N 1 3 215.341 0.570 10 0 BCAEHO CCC[C@@H](N)C(=O)NC[C@@H]1CC[N@H+](CC)C1 ZINC000037484143 169389398 /nfs/dbraw/zinc/38/93/98/169389398.db2.gz LIBPAYKIQVGIIL-WDEREUQCSA-N 1 3 227.352 0.572 10 0 BCAEHO C[C@H](CC(N)=O)N[C@H]1CC[C@@H]([NH+](C)C)C1 ZINC000222739545 134334307 /nfs/dbraw/zinc/33/43/07/134334307.db2.gz KIYZYXFCQAHWNL-KXUCPTDWSA-N 1 3 213.325 0.323 10 0 BCAEHO C[C@H](CC(N)=O)[NH2+][C@H]1CC[C@@H](N(C)C)C1 ZINC000222739545 134334308 /nfs/dbraw/zinc/33/43/08/134334308.db2.gz KIYZYXFCQAHWNL-KXUCPTDWSA-N 1 3 213.325 0.323 10 0 BCAEHO COC(=O)CCN1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000132379303 384185482 /nfs/dbraw/zinc/18/54/82/384185482.db2.gz LEQVYWQQKMCVNZ-DTWKUNHWSA-N 1 3 200.282 0.219 10 0 BCAEHO C[C@H](NC[C@@H]1CCCN1C)[C@H]1CC[NH2+]C1 ZINC000400343484 384194588 /nfs/dbraw/zinc/19/45/88/384194588.db2.gz IFCGKZZSZVVEKY-SRVKXCTJSA-N 1 3 211.353 0.668 10 0 BCAEHO C[C@@H](N)C(=O)N1CCC2(C1)CC[NH+](C)CC2 ZINC000095088839 384360243 /nfs/dbraw/zinc/36/02/43/384360243.db2.gz BAEAQSJIEJKVMA-SNVBAGLBSA-N 1 3 225.336 0.278 10 0 BCAEHO CC(C)[C@@H](N)C(=O)N1CCC2(CC([NH3+])C2)C1 ZINC000095087986 384360759 /nfs/dbraw/zinc/36/07/59/384360759.db2.gz LWCMKKPKZZATFW-SQLBVSGCSA-N 1 3 225.336 0.310 10 0 BCAEHO C[C@@H](N)C(=O)N1CCC2(C1)CCC([NH3+])CC2 ZINC000095088837 384360996 /nfs/dbraw/zinc/36/09/96/384360996.db2.gz MIYRXNKEXNPZHY-GRZMOONWSA-N 1 3 225.336 0.454 10 0 BCAEHO C[C@H](N)C(=O)N1CCC2(CC[N@H+](C)C2)CC1 ZINC000095088898 384361590 /nfs/dbraw/zinc/36/15/90/384361590.db2.gz IUDSIJFUYYZMDG-JTQLQIEISA-N 1 3 225.336 0.278 10 0 BCAEHO C[C@H](N)C(=O)N1CCC2(CC[N@@H+](C)C2)CC1 ZINC000095088898 384361593 /nfs/dbraw/zinc/36/15/93/384361593.db2.gz IUDSIJFUYYZMDG-JTQLQIEISA-N 1 3 225.336 0.278 10 0 BCAEHO CCCC[N@H+](C)CCNC(=O)[C@@H](N)CCC ZINC000236712336 384558017 /nfs/dbraw/zinc/55/80/17/384558017.db2.gz VGVSBKUVLAUXCU-NSHDSACASA-N 1 3 229.368 0.962 10 0 BCAEHO CCCC[N@@H+](C)CCNC(=O)[C@@H](N)CCC ZINC000236712336 384558022 /nfs/dbraw/zinc/55/80/22/384558022.db2.gz VGVSBKUVLAUXCU-NSHDSACASA-N 1 3 229.368 0.962 10 0 BCAEHO CC(C)[C@@H](N)C(=O)N1CC[C@@]2(CC[C@@H]([NH3+])C2)C1 ZINC000100245804 384625188 /nfs/dbraw/zinc/62/51/88/384625188.db2.gz NBOXBFFCKZYLAM-NQBHXWOUSA-N 1 3 239.363 0.700 10 0 BCAEHO [NH3+][C@H]1CC[C@H](NCc2cnccn2)CC1 ZINC000100278660 384631869 /nfs/dbraw/zinc/63/18/69/384631869.db2.gz FFVZOHKUZSLQJT-AOOOYVTPSA-N 1 3 206.293 0.836 10 0 BCAEHO CC[C@@H](N)C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000084200470 384774150 /nfs/dbraw/zinc/77/41/50/384774150.db2.gz CNKRAZMOGFPGIB-VHSXEESVSA-N 1 3 211.309 0.030 10 0 BCAEHO CC[C@@H](N)C(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000084200470 384774155 /nfs/dbraw/zinc/77/41/55/384774155.db2.gz CNKRAZMOGFPGIB-VHSXEESVSA-N 1 3 211.309 0.030 10 0 BCAEHO CCC[C@H](N)C(=O)NCCC1CC[NH+](C)CC1 ZINC000157218542 385114016 /nfs/dbraw/zinc/11/40/16/385114016.db2.gz XVBREPHBQLHHGY-LBPRGKRZSA-N 1 3 241.379 0.962 10 0 BCAEHO CN1CCC[C@H]1CNC(=O)[C@@H]1CCC[C@H]([NH3+])C1 ZINC000165747614 385413306 /nfs/dbraw/zinc/41/33/06/385413306.db2.gz ZSVCAHBWXVUQEP-WOPDTQHZSA-N 1 3 239.363 0.714 10 0 BCAEHO C[C@@H]1C[C@H](NCCn2cncn2)CC[N@@H+]1C ZINC000336679050 385619320 /nfs/dbraw/zinc/61/93/20/385619320.db2.gz WZLKVXLPENRHHM-GHMZBOCLSA-N 1 3 223.324 0.350 10 0 BCAEHO C[C@@H]1C[C@H](NCCn2cncn2)CC[N@H+]1C ZINC000336679050 385619327 /nfs/dbraw/zinc/61/93/27/385619327.db2.gz WZLKVXLPENRHHM-GHMZBOCLSA-N 1 3 223.324 0.350 10 0 BCAEHO CN1CCC[C@H]([NH2+][C@@H]2CCCC[C@@H]2N)C1 ZINC000259130857 385655054 /nfs/dbraw/zinc/65/50/54/385655054.db2.gz UEFMNCCKSHXUJS-SDDRHHMPSA-N 1 3 211.353 0.940 10 0 BCAEHO CN1CCC[C@H](N[C@@H]2CCCC[C@@H]2[NH3+])C1 ZINC000259130857 385655058 /nfs/dbraw/zinc/65/50/58/385655058.db2.gz UEFMNCCKSHXUJS-SDDRHHMPSA-N 1 3 211.353 0.940 10 0 BCAEHO [NH3+]C[C@@H]1CC[C@H](CN2CCSCC2)O1 ZINC000052425643 385733562 /nfs/dbraw/zinc/73/35/62/385733562.db2.gz GFAHMFKUHSUJQK-VHSXEESVSA-N 1 3 216.350 0.542 10 0 BCAEHO C[C@@H]([NH3+])CCC(=O)N1CCN2CCC[C@H]2C1 ZINC000251198822 385934969 /nfs/dbraw/zinc/93/49/69/385934969.db2.gz KJWHFDUZICYSGN-MNOVXSKESA-N 1 3 225.336 0.420 10 0 BCAEHO C[NH+](C)C[C@@H]1CCN(CCCCO)C1 ZINC000336676392 386324700 /nfs/dbraw/zinc/32/47/00/386324700.db2.gz XJMCRDDWBQPQDD-NSHDSACASA-N 1 3 200.326 0.642 10 0 BCAEHO C[C@@H](N)C(C)(C)C[N@@H+]1C[C@@H](C)[C@H](O)C1 ZINC000306887989 386479248 /nfs/dbraw/zinc/47/92/48/386479248.db2.gz VIRONICAQQBTBP-OPRDCNLKSA-N 1 3 200.326 0.672 10 0 BCAEHO C[C@@H](N)C(C)(C)C[N@H+]1C[C@@H](C)[C@H](O)C1 ZINC000306887989 386479251 /nfs/dbraw/zinc/47/92/51/386479251.db2.gz VIRONICAQQBTBP-OPRDCNLKSA-N 1 3 200.326 0.672 10 0 BCAEHO C[C@@H]([NH3+])C(C)(C)CN1C[C@@H](C)[C@H](O)C1 ZINC000306887989 386479254 /nfs/dbraw/zinc/47/92/54/386479254.db2.gz VIRONICAQQBTBP-OPRDCNLKSA-N 1 3 200.326 0.672 10 0 BCAEHO C[C@H](N)C(C)(C)C[N@@H+]1C[C@@H](C)[C@@H](O)C1 ZINC000306887991 386480164 /nfs/dbraw/zinc/48/01/64/386480164.db2.gz VIRONICAQQBTBP-UTLUCORTSA-N 1 3 200.326 0.672 10 0 BCAEHO C[C@H](N)C(C)(C)C[N@H+]1C[C@@H](C)[C@@H](O)C1 ZINC000306887991 386480171 /nfs/dbraw/zinc/48/01/71/386480171.db2.gz VIRONICAQQBTBP-UTLUCORTSA-N 1 3 200.326 0.672 10 0 BCAEHO C[C@H]([NH3+])C(C)(C)CN1C[C@@H](C)[C@@H](O)C1 ZINC000306887991 386480176 /nfs/dbraw/zinc/48/01/76/386480176.db2.gz VIRONICAQQBTBP-UTLUCORTSA-N 1 3 200.326 0.672 10 0 BCAEHO CN(C(=O)[C@H]1CC[C@H]([NH3+])C1)C1CCN(C)CC1 ZINC000097092439 386627986 /nfs/dbraw/zinc/62/79/86/386627986.db2.gz JOYSSBWWBAVINJ-QWRGUYRKSA-N 1 3 239.363 0.666 10 0 BCAEHO CN(C(=O)[C@@H]1CC[C@H]([NH3+])C1)C1CCN(C)CC1 ZINC000097092438 386628823 /nfs/dbraw/zinc/62/88/23/386628823.db2.gz JOYSSBWWBAVINJ-MNOVXSKESA-N 1 3 239.363 0.666 10 0 BCAEHO CC[C@H](C)[C@H](C)NC[C@H]1C[NH2+]C[C@@H]1O ZINC000423402221 387236762 /nfs/dbraw/zinc/23/67/62/387236762.db2.gz GUMRKRMAGYNKAQ-MMWGEVLESA-N 1 3 200.326 0.591 10 0 BCAEHO CC[C@H](C)[C@H](C)[NH2+]C[C@H]1CNC[C@@H]1O ZINC000423402221 387236769 /nfs/dbraw/zinc/23/67/69/387236769.db2.gz GUMRKRMAGYNKAQ-MMWGEVLESA-N 1 3 200.326 0.591 10 0 BCAEHO C[C@@H]1NC(=N)NC(=[NH2+])N1c1ccccc1 ZINC000013476265 387426677 /nfs/dbraw/zinc/42/66/77/387426677.db2.gz RPLDHTWHTNJWOS-SSDOTTSWSA-N 1 3 203.249 0.482 10 0 BCAEHO COC(=O)C(C)(C)CN[C@@H](C)[C@H]1CC[NH2+]C1 ZINC000400716883 387580915 /nfs/dbraw/zinc/58/09/15/387580915.db2.gz NMJORRWVWSEUDW-UWVGGRQHSA-N 1 3 228.336 0.773 10 0 BCAEHO C[C@H]([NH3+])CN1C[C@H]2CCCCN2C[C@@H]1C ZINC000163733517 387925338 /nfs/dbraw/zinc/92/53/38/387925338.db2.gz MHYGERVDOAWTJG-SDDRHHMPSA-N 1 3 211.353 0.892 10 0 BCAEHO CN(C)[C@@H]1CCN(C(=O)[C@H]2[NH2+]CC2(C)C)C1 ZINC000645923651 388007702 /nfs/dbraw/zinc/00/77/02/388007702.db2.gz MESCPEAZKVNRSY-NXEZZACHSA-N 1 3 225.336 0.147 10 0 BCAEHO CN(C)[C@H]1CCN(C(=O)[C@@H]2[NH2+]CC2(C)C)C1 ZINC000645923652 388008521 /nfs/dbraw/zinc/00/85/21/388008521.db2.gz MESCPEAZKVNRSY-UWVGGRQHSA-N 1 3 225.336 0.147 10 0 BCAEHO CN(C)[C@@H]1CCN(C(=O)[C@@H]2[NH2+]CC2(C)C)C1 ZINC000645923654 388008738 /nfs/dbraw/zinc/00/87/38/388008738.db2.gz MESCPEAZKVNRSY-ZJUUUORDSA-N 1 3 225.336 0.147 10 0 BCAEHO [NH3+]CCOCCN1CCN2CCCC[C@H]2C1 ZINC000086930144 388111247 /nfs/dbraw/zinc/11/12/47/388111247.db2.gz GTQDXXJQGIMVOX-LBPRGKRZSA-N 1 3 227.352 0.132 10 0 BCAEHO CC(C)(C)[C@H](CO)[NH2+]C[C@H]1CCCNC1 ZINC000261533455 135165269 /nfs/dbraw/zinc/16/52/69/135165269.db2.gz BAKDYSQGIQWAFQ-QWRGUYRKSA-N 1 3 214.353 0.983 10 0 BCAEHO CC(C)(C)[C@H](CO)NC[C@H]1CCC[NH2+]C1 ZINC000261533455 135165270 /nfs/dbraw/zinc/16/52/70/135165270.db2.gz BAKDYSQGIQWAFQ-QWRGUYRKSA-N 1 3 214.353 0.983 10 0 BCAEHO CO[C@@H](CNC1CC[NH2+]CC1)C(C)C ZINC000362978219 388562672 /nfs/dbraw/zinc/56/26/72/388562672.db2.gz YETDCLQPQRZSGO-NSHDSACASA-N 1 3 200.326 0.999 10 0 BCAEHO CO[C@@H](C[NH2+]C1CCNCC1)C(C)C ZINC000362978219 388562674 /nfs/dbraw/zinc/56/26/74/388562674.db2.gz YETDCLQPQRZSGO-NSHDSACASA-N 1 3 200.326 0.999 10 0 BCAEHO CN1CCO[C@H](CN[C@H]2CCCC[C@@H]2C[NH3+])C1 ZINC000252550685 135092184 /nfs/dbraw/zinc/09/21/84/135092184.db2.gz OXQHSYGMPZISFM-UPJWGTAASA-N 1 3 241.379 0.424 10 0 BCAEHO CN1CCO[C@H](C[NH2+][C@H]2CCCC[C@@H]2CN)C1 ZINC000252550685 135092186 /nfs/dbraw/zinc/09/21/86/135092186.db2.gz OXQHSYGMPZISFM-UPJWGTAASA-N 1 3 241.379 0.424 10 0 BCAEHO C[C@H](O)[C@H]1CC[N@H+](C[C@H]2CCCNC2)C1 ZINC000252753336 135107319 /nfs/dbraw/zinc/10/73/19/135107319.db2.gz CIEBQBLPCMQONQ-SRVKXCTJSA-N 1 3 212.337 0.689 10 0 BCAEHO C[C@H](O)[C@H]1CC[N@@H+](C[C@H]2CCCNC2)C1 ZINC000252753336 135107321 /nfs/dbraw/zinc/10/73/21/135107321.db2.gz CIEBQBLPCMQONQ-SRVKXCTJSA-N 1 3 212.337 0.689 10 0 BCAEHO C[C@H](O)[C@H]1CCN(C[C@H]2CCC[NH2+]C2)C1 ZINC000252753336 135107322 /nfs/dbraw/zinc/10/73/22/135107322.db2.gz CIEBQBLPCMQONQ-SRVKXCTJSA-N 1 3 212.337 0.689 10 0 BCAEHO CN(C[C@@H]1CCCN(C)C1)C(=O)C1C[NH2+]C1 ZINC000258611663 135133041 /nfs/dbraw/zinc/13/30/41/135133041.db2.gz BBOGMEUMWQFSQZ-SNVBAGLBSA-N 1 3 225.336 0.006 10 0 BCAEHO C[C@@H]1[C@@H](CO)CCN1C[C@@]1(C)CC[NH2+]C1 ZINC000261545723 135150600 /nfs/dbraw/zinc/15/06/00/135150600.db2.gz KFDXJIKIGBWLPL-UTUOFQBUSA-N 1 3 212.337 0.689 10 0 BCAEHO C[C@@H]1CC[N@H+](C[C@@H]2CCCNC2)[C@H]1CO ZINC000261531166 135160121 /nfs/dbraw/zinc/16/01/21/135160121.db2.gz FLNGXDWUDTUUPW-UTUOFQBUSA-N 1 3 212.337 0.689 10 0 BCAEHO C[C@@H]1CC[N@@H+](C[C@@H]2CCCNC2)[C@H]1CO ZINC000261531166 135160122 /nfs/dbraw/zinc/16/01/22/135160122.db2.gz FLNGXDWUDTUUPW-UTUOFQBUSA-N 1 3 212.337 0.689 10 0 BCAEHO OC[C@H]1CCCN(C[C@H]2CCC[NH2+]C2)C1 ZINC000087647765 135161100 /nfs/dbraw/zinc/16/11/00/135161100.db2.gz WIORRWOMXVUXHP-RYUDHWBXSA-N 1 3 212.337 0.690 10 0 BCAEHO OC[C@H]1CCC[N@H+](C[C@H]2CCCNC2)C1 ZINC000087647765 135161102 /nfs/dbraw/zinc/16/11/02/135161102.db2.gz WIORRWOMXVUXHP-RYUDHWBXSA-N 1 3 212.337 0.690 10 0 BCAEHO OC[C@H]1CCC[N@@H+](C[C@H]2CCCNC2)C1 ZINC000087647765 135161103 /nfs/dbraw/zinc/16/11/03/135161103.db2.gz WIORRWOMXVUXHP-RYUDHWBXSA-N 1 3 212.337 0.690 10 0 BCAEHO COC(=O)CCN[C@H]1CC[NH2+]CC1(C)C ZINC000261534173 135166725 /nfs/dbraw/zinc/16/67/25/135166725.db2.gz LVEMJNIPLAQHFQ-VIFPVBQESA-N 1 3 214.309 0.527 10 0 BCAEHO COC(=O)CC[NH2+][C@H]1CCNCC1(C)C ZINC000261534173 135166726 /nfs/dbraw/zinc/16/67/26/135166726.db2.gz LVEMJNIPLAQHFQ-VIFPVBQESA-N 1 3 214.309 0.527 10 0 BCAEHO C[C@@]1(CN2CC[C@H](CCO)C2)CC[NH2+]C1 ZINC000261550572 135189404 /nfs/dbraw/zinc/18/94/04/135189404.db2.gz PNZATOBDICAGHZ-VXGBXAGGSA-N 1 3 212.337 0.690 10 0 BCAEHO CCC[C@@H](N)C(=O)NCC([NH3+])(CC)CC ZINC000261566453 135208551 /nfs/dbraw/zinc/20/85/51/135208551.db2.gz DPIJEZTYLOSJHK-SECBINFHSA-N 1 3 215.341 0.748 10 0 BCAEHO CCC[C@@H](N)C(=O)N(C)CC(C)(C)C[NH3+] ZINC000261582765 135223691 /nfs/dbraw/zinc/22/36/91/135223691.db2.gz OQSLYKAMKBNILD-SECBINFHSA-N 1 3 215.341 0.557 10 0 BCAEHO O[C@H]1CNC[C@@H]1C[NH2+]C1CCCCCC1 ZINC000261546623 135239099 /nfs/dbraw/zinc/23/90/99/135239099.db2.gz LBWIVCBZVPJDIX-PWSUYJOCSA-N 1 3 212.337 0.879 10 0 BCAEHO O[C@H]1C[NH2+]C[C@@H]1CNC1CCCCCC1 ZINC000261546623 135239100 /nfs/dbraw/zinc/23/91/00/135239100.db2.gz LBWIVCBZVPJDIX-PWSUYJOCSA-N 1 3 212.337 0.879 10 0 BCAEHO CN(C)[C@H]1CCCN(C(=O)[C@H]2CC[NH2+]C2)C1 ZINC000084420001 135248653 /nfs/dbraw/zinc/24/86/53/135248653.db2.gz CJLINAHIVWRNNM-QWRGUYRKSA-N 1 3 225.336 0.149 10 0 BCAEHO CC(C)N(C)CC(=O)N1CC[C@H](C)C[C@H]1C[NH3+] ZINC000261919917 135262650 /nfs/dbraw/zinc/26/26/50/135262650.db2.gz YSKBTRXAVGQSMV-RYUDHWBXSA-N 1 3 241.379 0.912 10 0 BCAEHO CCCN(C)CC(=O)N1CC[C@H]([NH3+])C(C)(C)C1 ZINC000262013430 135272049 /nfs/dbraw/zinc/27/20/49/135272049.db2.gz OFTJZKSZURGOSS-NSHDSACASA-N 1 3 241.379 0.914 10 0 BCAEHO O[C@H]1C[NH2+]C[C@@H]1CNC1Cc2ccccc2C1 ZINC000262093758 135278711 /nfs/dbraw/zinc/27/87/11/135278711.db2.gz HLDGHZPEPCSPNF-OCCSQVGLSA-N 1 3 232.327 0.324 10 0 BCAEHO CCC[C@](C)(N)C(=O)N[C@H]1CCC[C@@H]1C[NH3+] ZINC000262629836 135309171 /nfs/dbraw/zinc/30/91/71/135309171.db2.gz NFEPQEIIGYTBSR-SCVCMEIPSA-N 1 3 227.352 0.748 10 0 BCAEHO C[C@@H]1CCC[C@H](CNC[C@H]2C[NH2+]C[C@H]2O)C1 ZINC000263301588 135344869 /nfs/dbraw/zinc/34/48/69/135344869.db2.gz XCFXMXQNAMHOHZ-MROQNXINSA-N 1 3 226.364 0.983 10 0 BCAEHO C[C@@H]1CCC[C@H](C[NH2+]C[C@H]2CNC[C@H]2O)C1 ZINC000263301588 135344870 /nfs/dbraw/zinc/34/48/70/135344870.db2.gz XCFXMXQNAMHOHZ-MROQNXINSA-N 1 3 226.364 0.983 10 0 BCAEHO CC(C)[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CNC[C@H]1O ZINC000263303461 135345067 /nfs/dbraw/zinc/34/50/67/135345067.db2.gz XKIBGNOOMSKMSZ-ZDEQEGDKSA-N 1 3 226.364 0.981 10 0 BCAEHO C[C@@H]1CCC[C@H](CNC[C@@H]2C[NH2+]C[C@H]2O)C1 ZINC000263301591 135345269 /nfs/dbraw/zinc/34/52/69/135345269.db2.gz XCFXMXQNAMHOHZ-YVECIDJPSA-N 1 3 226.364 0.983 10 0 BCAEHO C[C@@H]1CCC[C@H](C[NH2+]C[C@@H]2CNC[C@H]2O)C1 ZINC000263301591 135345271 /nfs/dbraw/zinc/34/52/71/135345271.db2.gz XCFXMXQNAMHOHZ-YVECIDJPSA-N 1 3 226.364 0.983 10 0 BCAEHO CC(C)C[C@H](N)C(=O)NC[C@@H]1CC[NH2+]C1 ZINC000390574706 397896085 /nfs/dbraw/zinc/89/60/85/397896085.db2.gz VSVBOAOGFZJJAH-ZJUUUORDSA-N 1 3 213.325 0.086 10 0 BCAEHO CC[C@@H]1CN2CCCC[C@@H]2CN1CC[NH3+] ZINC000383405769 398018512 /nfs/dbraw/zinc/01/85/12/398018512.db2.gz AGKCUIXWDAOWOX-VXGBXAGGSA-N 1 3 211.353 0.894 10 0 BCAEHO CN1CCC[C@H](NC(=O)CC[C@H]2CCC[NH2+]2)C1 ZINC000384071699 398065074 /nfs/dbraw/zinc/06/50/74/398065074.db2.gz VKNDFBBUWWRYIL-NEPJUHHUSA-N 1 3 239.363 0.729 10 0 BCAEHO CCC[C@@](C)(N)C(=O)NC[C@@H](C)[NH2+]C ZINC000389634896 398118195 /nfs/dbraw/zinc/11/81/95/398118195.db2.gz NTBPGTVTNCVDTF-PSASIEDQSA-N 1 3 201.314 0.228 10 0 BCAEHO CC[C@H](C)[C@H](CO)N1CCC[NH2+]CC1 ZINC000041050531 171393653 /nfs/dbraw/zinc/39/36/53/171393653.db2.gz XNFBRFYSJPUMIH-QWRGUYRKSA-N 1 3 200.326 0.689 10 0 BCAEHO CC(C)N1CC[C@](C[NH3+])(N2CCSCC2)C1 ZINC000045658467 167027479 /nfs/dbraw/zinc/02/74/79/167027479.db2.gz FHIHZNFKVNGOIK-GFCCVEGCSA-N 1 3 243.420 0.847 10 0 BCAEHO CC(C)[N@@H+]1CC[C@](CN)(N2CCSCC2)C1 ZINC000045658467 167027482 /nfs/dbraw/zinc/02/74/82/167027482.db2.gz FHIHZNFKVNGOIK-GFCCVEGCSA-N 1 3 243.420 0.847 10 0 BCAEHO CC(C)[N@H+]1CC[C@](CN)(N2CCSCC2)C1 ZINC000045658467 167027484 /nfs/dbraw/zinc/02/74/84/167027484.db2.gz FHIHZNFKVNGOIK-GFCCVEGCSA-N 1 3 243.420 0.847 10 0 BCAEHO CC(C)[NH2+]CCC(=O)N1CCN2CCC[C@@H]2C1 ZINC000037812655 167100783 /nfs/dbraw/zinc/10/07/83/167100783.db2.gz WNDVTMPTGREGKD-GFCCVEGCSA-N 1 3 239.363 0.681 10 0 BCAEHO CCN1CCC[C@H](NC(=O)C2(C)C[NH2+]C2)C1 ZINC000335478683 410439228 /nfs/dbraw/zinc/43/92/28/410439228.db2.gz DYSBETHADSCIJZ-JTQLQIEISA-N 1 3 225.336 0.196 10 0 BCAEHO CC(C)(C)N1CC[C@H](N[C@H]2CC[NH2+]C2)C1 ZINC000665235802 410727291 /nfs/dbraw/zinc/72/72/91/410727291.db2.gz AMLUOQOFPZVOQO-QWRGUYRKSA-N 1 3 211.353 0.811 10 0 BCAEHO C[C@H](N[C@@H](CO)C1CCC1)[C@@H]1CC[NH2+]C1 ZINC000665234944 410727615 /nfs/dbraw/zinc/72/76/15/410727615.db2.gz MPBBBMRORQGBNK-WCQGTBRESA-N 1 3 212.337 0.735 10 0 BCAEHO CC(C)[NH2+]CCNCCCN1CCN(C)CC1 ZINC000049474536 167107818 /nfs/dbraw/zinc/10/78/18/167107818.db2.gz ILHMLMURUOQDNK-UHFFFAOYSA-N 1 3 242.411 0.212 10 0 BCAEHO CC(C)[C@@H](CN(C)C)NC(=O)[C@@](C)([NH3+])C1CC1 ZINC000049221239 167395314 /nfs/dbraw/zinc/39/53/14/167395314.db2.gz LTOUTFUNZCVIDU-YPMHNXCESA-N 1 3 241.379 0.816 10 0 BCAEHO CC(C)[C@@H](C[NH3+])C(=O)N(C)[C@H]1CCCN(C)C1 ZINC000053245201 167395503 /nfs/dbraw/zinc/39/55/03/167395503.db2.gz QEIPPBKZOVYRGJ-NWDGAFQWSA-N 1 3 241.379 0.770 10 0 BCAEHO CC(C)[C@H]([NH3+])CC(=O)NCCN(C)C ZINC000128850556 411248184 /nfs/dbraw/zinc/24/81/84/411248184.db2.gz PLQBFZLTDKVKEN-SECBINFHSA-N 1 3 201.314 0.038 10 0 BCAEHO CC(C)[C@@H]([NH3+])CC(=O)N1CC[C@@H](N(C)C)C1 ZINC000129053540 411216859 /nfs/dbraw/zinc/21/68/59/411216859.db2.gz KQOZGVYHCXIHRG-MNOVXSKESA-N 1 3 227.352 0.522 10 0 BCAEHO CC[NH2+]C(C)(C)C(=O)N(C)CCN1CCCC1 ZINC000063052676 170106797 /nfs/dbraw/zinc/10/67/97/170106797.db2.gz WEYOKIOEZVOKMZ-UHFFFAOYSA-N 1 3 241.379 0.929 10 0 BCAEHO CC[NH2+]CCC(=O)N1CCCN(C)CC1 ZINC000061288321 170112091 /nfs/dbraw/zinc/11/20/91/170112091.db2.gz QBDSGUIWTWRZMT-UHFFFAOYSA-N 1 3 213.325 0.150 10 0 BCAEHO CC[NH2+]C[C@H]1CCN([C@@H]2CCN(C)C2)C1 ZINC000053031649 170122856 /nfs/dbraw/zinc/12/28/56/170122856.db2.gz WUMDBVRLBJKYOV-VXGBXAGGSA-N 1 3 211.353 0.622 10 0 BCAEHO CC[NH2+][C@@H](C)CC(=O)N(C)CCN1CCCC1 ZINC000063052681 170138930 /nfs/dbraw/zinc/13/89/30/170138930.db2.gz GXUVBVBZELDWPW-LBPRGKRZSA-N 1 3 241.379 0.929 10 0 BCAEHO CC[NH2+][C@@H](C)C1CCN([C@H](CC)C(N)=O)CC1 ZINC000104424828 170138960 /nfs/dbraw/zinc/13/89/60/170138960.db2.gz DOWCNXZZXQJPIB-CMPLNLGQSA-N 1 3 241.379 0.960 10 0 BCAEHO CC[NH2+][C@@H](C)CC(=O)N1CCCNCC1 ZINC000061269669 170139153 /nfs/dbraw/zinc/13/91/53/170139153.db2.gz DEZDTDBGCIGLMG-JTQLQIEISA-N 1 3 213.325 0.196 10 0 BCAEHO CC[NH2+][C@H](C)CC(=O)N[C@H]1CN2CCC1CC2 ZINC000061269072 170156905 /nfs/dbraw/zinc/15/69/05/170156905.db2.gz JMLIPWCYNPXVFF-PWSUYJOCSA-N 1 3 239.363 0.585 10 0 BCAEHO OCC1CC(N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000657810514 411602702 /nfs/dbraw/zinc/60/27/02/411602702.db2.gz FDZIICJRLYUAJT-POOIEITISA-N 1 3 224.348 0.974 10 0 BCAEHO OCC1CC(N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000657810514 411602704 /nfs/dbraw/zinc/60/27/04/411602704.db2.gz FDZIICJRLYUAJT-POOIEITISA-N 1 3 224.348 0.974 10 0 BCAEHO CC[C@@H]1C[N@H+](C[C@H]2CCCNC2)C[C@H]1O ZINC000261551628 171085868 /nfs/dbraw/zinc/08/58/68/171085868.db2.gz QPYSHSSYWAPYDG-QJPTWQEYSA-N 1 3 212.337 0.689 10 0 BCAEHO CC[C@@H]1C[N@@H+](C[C@H]2CCCNC2)C[C@H]1O ZINC000261551628 171085871 /nfs/dbraw/zinc/08/58/71/171085871.db2.gz QPYSHSSYWAPYDG-QJPTWQEYSA-N 1 3 212.337 0.689 10 0 BCAEHO CC[C@@H]1CN(C[C@H]2CCC[NH2+]C2)C[C@H]1O ZINC000261551628 171085873 /nfs/dbraw/zinc/08/58/73/171085873.db2.gz QPYSHSSYWAPYDG-QJPTWQEYSA-N 1 3 212.337 0.689 10 0 BCAEHO CC[C@H](C)N1CCN(C[C@H](O)CC[NH3+])CC1 ZINC000071534302 171319445 /nfs/dbraw/zinc/31/94/45/171319445.db2.gz UHMVEYVRMMAURJ-NWDGAFQWSA-N 1 3 229.368 0.112 10 0 BCAEHO CC[C@H](C)[NH2+]CC(=O)N[C@H](C)CN1CCCC1 ZINC000049184907 171338954 /nfs/dbraw/zinc/33/89/54/171338954.db2.gz TWYHDPIYZRWLAR-NWDGAFQWSA-N 1 3 241.379 0.975 10 0 BCAEHO CC[C@H](C)[NH2+]CC(=O)N1CCC[C@@H]1CN(C)C ZINC000061645189 171339701 /nfs/dbraw/zinc/33/97/01/171339701.db2.gz ATBLORGVPLHMFZ-NWDGAFQWSA-N 1 3 241.379 0.927 10 0 BCAEHO CC[C@H](C)[C@@H](N)C(=O)N(C)CC[NH2+]C ZINC000069803211 171369464 /nfs/dbraw/zinc/36/94/64/171369464.db2.gz GGULXHLERNTQFO-DTWKUNHWSA-N 1 3 201.314 0.038 10 0 BCAEHO CC[C@H]([NH2+]C)C(=O)N1C[C@H]2CCCN2C[C@H]1C ZINC000662460086 412182597 /nfs/dbraw/zinc/18/25/97/412182597.db2.gz PSZASMAIFRHLAU-UTUOFQBUSA-N 1 3 239.363 0.680 10 0 BCAEHO FC1(F)C[C@H]1OCC[NH2+]C1CCNCC1 ZINC000665244275 412188601 /nfs/dbraw/zinc/18/86/01/412188601.db2.gz KFMFABBWJHYQIH-SECBINFHSA-N 1 3 220.263 0.752 10 0 BCAEHO [NH3+][C@H]1C[C@H](C(=O)N2CCN3CCC[C@H]3C2)C1 ZINC000662723458 412284383 /nfs/dbraw/zinc/28/43/83/412284383.db2.gz FTWOWQKZICZVIG-DCAQKATOSA-N 1 3 223.320 0.030 10 0 BCAEHO C[C@H](NCCOCCF)[C@H]1CC[NH2+]C1 ZINC000665299868 412247413 /nfs/dbraw/zinc/24/74/13/412247413.db2.gz UPVATTFQFUESLK-UWVGGRQHSA-N 1 3 204.289 0.560 10 0 BCAEHO C[C@@H](NCCOCCF)[C@@H]1CC[NH2+]C1 ZINC000665299867 412248481 /nfs/dbraw/zinc/24/84/81/412248481.db2.gz UPVATTFQFUESLK-NXEZZACHSA-N 1 3 204.289 0.560 10 0 BCAEHO CN(c1cc(C(N)=[NH2+])ccn1)[C@H]1CCCN(C)C1 ZINC000053245512 173044224 /nfs/dbraw/zinc/04/42/24/173044224.db2.gz HJQYFZAUHXNZLW-NSHDSACASA-N 1 3 247.346 0.896 10 0 BCAEHO CN1CCN(CC2CCC([NH3+])CC2)CC1 ZINC000037482372 173078200 /nfs/dbraw/zinc/07/82/00/173078200.db2.gz HKDHLZPPCBQMHR-UHFFFAOYSA-N 1 3 211.353 0.751 10 0 BCAEHO CN1CCN(CCC[C@H]2CCC[NH2+]2)CC1 ZINC000052764269 173080793 /nfs/dbraw/zinc/08/07/93/173080793.db2.gz GNOJHODCYXSCGW-GFCCVEGCSA-N 1 3 211.353 0.766 10 0 BCAEHO C[N@@H+]1CC[C@@](CN)(N2CCOCC2(C)C)C1 ZINC000061990476 173136150 /nfs/dbraw/zinc/13/61/50/173136150.db2.gz JJVPONJPKZENIU-LBPRGKRZSA-N 1 3 227.352 0.130 10 0 BCAEHO C[N@H+]1CC[C@@](CN)(N2CCOCC2(C)C)C1 ZINC000061990476 173136151 /nfs/dbraw/zinc/13/61/51/173136151.db2.gz JJVPONJPKZENIU-LBPRGKRZSA-N 1 3 227.352 0.130 10 0 BCAEHO CN1CC[C@H](C[N@H+](C)C2(CN)CCOCC2)C1 ZINC000071188338 173143544 /nfs/dbraw/zinc/14/35/44/173143544.db2.gz JHAZGSYWBSMPJP-LBPRGKRZSA-N 1 3 241.379 0.378 10 0 BCAEHO CN1CC[C@H](C[N@@H+](C)C2(CN)CCOCC2)C1 ZINC000071188338 173143545 /nfs/dbraw/zinc/14/35/45/173143545.db2.gz JHAZGSYWBSMPJP-LBPRGKRZSA-N 1 3 241.379 0.378 10 0 BCAEHO CN1CC[C@H](NC(=O)C[C@H]([NH3+])c2ccccc2)C1 ZINC000042549064 173149719 /nfs/dbraw/zinc/14/97/19/173149719.db2.gz XJTUVDKDKYZXCD-STQMWFEESA-N 1 3 247.342 0.897 10 0 BCAEHO CN1CC[C@H](NC(=O)C[C@@H]2CCC[NH2+]C2)C1 ZINC000054291463 173150859 /nfs/dbraw/zinc/15/08/59/173150859.db2.gz OPBBGAPCTKVEMG-QWRGUYRKSA-N 1 3 225.336 0.196 10 0 BCAEHO CN1CC[C@](CN)([N@@H+]2CCCSCC2)C1 ZINC000061990441 173163307 /nfs/dbraw/zinc/16/33/07/173163307.db2.gz QFVROMAWOHBRFE-LLVKDONJSA-N 1 3 229.393 0.458 10 0 BCAEHO CN1CC[C@](CN)([N@H+]2CCCSCC2)C1 ZINC000061990441 173163308 /nfs/dbraw/zinc/16/33/08/173163308.db2.gz QFVROMAWOHBRFE-LLVKDONJSA-N 1 3 229.393 0.458 10 0 BCAEHO CNC(=O)C1CC[NH+]([C@@H]2CCC[C@H]2N)CC1 ZINC000042489247 173224550 /nfs/dbraw/zinc/22/45/50/173224550.db2.gz IFBFKMVITOJJLK-GHMZBOCLSA-N 1 3 225.336 0.324 10 0 BCAEHO CNC(=O)CCN(C)Cc1ccccc1C[NH3+] ZINC000051757707 173250285 /nfs/dbraw/zinc/25/02/85/173250285.db2.gz NLMHHMMXDTVUMM-UHFFFAOYSA-N 1 3 235.331 0.713 10 0 BCAEHO CNC(=O)C[NH2+][C@H](C)[C@@H]1CCCN(C)C1 ZINC000037224639 173277806 /nfs/dbraw/zinc/27/78/06/173277806.db2.gz ZMPNSWAFDMOSMO-NXEZZACHSA-N 1 3 213.325 0.052 10 0 BCAEHO C[NH2+]C(C)(C)C(=O)N1CCN2CCC[C@@H]2C1 ZINC000061317329 173318654 /nfs/dbraw/zinc/31/86/54/173318654.db2.gz HCELXNPMFDPIME-SNVBAGLBSA-N 1 3 225.336 0.291 10 0 BCAEHO C[NH2+]C1C[C@H]2CC[C@@H](C1)N2CCN(C)C ZINC000054627104 173324462 /nfs/dbraw/zinc/32/44/62/173324462.db2.gz VTKBUWCIWCAOAM-YOGCLGLASA-N 1 3 211.353 0.763 10 0 BCAEHO CNCC(=O)NC[C@@H]1[NH2+]CCCC1(C)C ZINC000261555124 173330788 /nfs/dbraw/zinc/33/07/88/173330788.db2.gz USPZKQUWFVCKNT-VIFPVBQESA-N 1 3 213.325 0.100 10 0 BCAEHO C[NH2+]CC1(CN2CC[C@H](O)C2)CCCC1 ZINC000061711773 173337437 /nfs/dbraw/zinc/33/74/37/173337437.db2.gz NVMNYWLJWJNQAJ-NSHDSACASA-N 1 3 212.337 0.833 10 0 BCAEHO C[NH2+]C[C@@]1(CN(CCO)C(C)C)CCCOC1 ZINC000104314482 173372918 /nfs/dbraw/zinc/37/29/18/173372918.db2.gz ZDOOBLOUBCRCSX-CYBMUJFWSA-N 1 3 244.379 0.705 10 0 BCAEHO C[NH2+]C[C@H]1CCCN(CC[C@@H](C)O)C1 ZINC000134113783 173378492 /nfs/dbraw/zinc/37/84/92/173378492.db2.gz XYMKPRMCELBMTF-GHMZBOCLSA-N 1 3 200.326 0.689 10 0 BCAEHO CN[C@H](C)C(=O)NCCC[NH+]1CCC(C)CC1 ZINC000054076297 173444527 /nfs/dbraw/zinc/44/45/27/173444527.db2.gz LOROCKGTIAERKX-GFCCVEGCSA-N 1 3 241.379 0.833 10 0 BCAEHO COCC[NH2+]CCCN1CCN(C)C(C)(C)C1 ZINC000104125942 174332909 /nfs/dbraw/zinc/33/29/09/174332909.db2.gz RQQFOJWERMRGMB-UHFFFAOYSA-N 1 3 243.395 0.639 10 0 BCAEHO COCC[NH2+]C[C@H]1CCCN(CCN(C)C)C1 ZINC000053658478 174334149 /nfs/dbraw/zinc/33/41/49/174334149.db2.gz PDIQOCQUBOQZIT-CYBMUJFWSA-N 1 3 243.395 0.496 10 0 BCAEHO CC(C)[C@H]([NH3+])CC(=O)NC[C@H](C)N(C)C1CC1 ZINC000225813769 487630317 /nfs/dbraw/zinc/63/03/17/487630317.db2.gz VORAGBHGQQCSET-CMPLNLGQSA-N 1 3 241.379 0.959 10 0 BCAEHO C[C@@H]1CC[N@H+](C[C@@H]2CCCNC2)[C@@H]1CO ZINC000227216452 176172107 /nfs/dbraw/zinc/17/21/07/176172107.db2.gz FLNGXDWUDTUUPW-IJLUTSLNSA-N 1 3 212.337 0.689 10 0 BCAEHO C[C@@H]1CC[N@@H+](C[C@@H]2CCCNC2)[C@@H]1CO ZINC000227216452 176172108 /nfs/dbraw/zinc/17/21/08/176172108.db2.gz FLNGXDWUDTUUPW-IJLUTSLNSA-N 1 3 212.337 0.689 10 0 BCAEHO C[C@@H]1CC[C@H](C(=O)NCCN(C)C)C[NH2+]1 ZINC000019515172 176220607 /nfs/dbraw/zinc/22/06/07/176220607.db2.gz KYHDOFFPMCBGQM-ZJUUUORDSA-N 1 3 213.325 0.052 10 0 BCAEHO C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1[C@@H]1CCC[C@@H]1CN ZINC000042428217 176221946 /nfs/dbraw/zinc/22/19/46/176221946.db2.gz RGOCRBQYDIONLZ-WISYIIOYSA-N 1 3 239.363 0.700 10 0 BCAEHO C[C@@H]1CC[C@H](C(N)=O)C[N@H+]1[C@@H]1CCC[C@@H]1CN ZINC000042428217 176221947 /nfs/dbraw/zinc/22/19/47/176221947.db2.gz RGOCRBQYDIONLZ-WISYIIOYSA-N 1 3 239.363 0.700 10 0 BCAEHO C[C@@H]1CC[C@H]([NH3+])[C@H](CN2CCN(C)CC2)C1 ZINC000053861544 176229494 /nfs/dbraw/zinc/22/94/94/176229494.db2.gz AOMWFFHTLLUCQU-AGIUHOORSA-N 1 3 225.380 0.997 10 0 BCAEHO C[C@@H]1CN(C2(C[NH3+])CCN(C)CC2)CCO1 ZINC000019486653 176279684 /nfs/dbraw/zinc/27/96/84/176279684.db2.gz LMCHTFHGEJZLEW-LLVKDONJSA-N 1 3 227.352 0.130 10 0 BCAEHO C[C@H]1CCCCN1CCC[NH2+]CCO ZINC000020048063 177075432 /nfs/dbraw/zinc/07/54/32/177075432.db2.gz NDCBXHGIGVUIKU-NSHDSACASA-N 1 3 200.326 0.833 10 0 BCAEHO C[C@H]1CCC[C@H](C(=O)NCCN(C)C)[NH2+]1 ZINC000019440256 177129220 /nfs/dbraw/zinc/12/92/20/177129220.db2.gz LTFPAMJTHOHLRH-VHSXEESVSA-N 1 3 213.325 0.195 10 0 BCAEHO C[C@H]1CN(C2(C[NH3+])CCN(C)CC2)CCO1 ZINC000019486655 177240592 /nfs/dbraw/zinc/24/05/92/177240592.db2.gz LMCHTFHGEJZLEW-NSHDSACASA-N 1 3 227.352 0.130 10 0 BCAEHO C[C@H]1C[NH2+]C[C@@H]1C(=O)NCCN1CCCCC1 ZINC000104214870 177285533 /nfs/dbraw/zinc/28/55/33/177285533.db2.gz FNDGRNVZKWQZCJ-RYUDHWBXSA-N 1 3 239.363 0.444 10 0 BCAEHO C[C@H]1C[NH2+]C[C@@H]1C(=O)N1CCN2CCC[C@@H]2C1 ZINC000104225623 177285829 /nfs/dbraw/zinc/28/58/29/177285829.db2.gz XNMSSLQOFDNCLW-TUAOUCFPSA-N 1 3 237.347 0.149 10 0 BCAEHO CC(C)[C@H](N)C(=O)N[C@H]1CCC[NH2+][C@@H]1C ZINC000193566254 487648912 /nfs/dbraw/zinc/64/89/12/487648912.db2.gz IUGVXTLMVKZRLZ-UTLUCORTSA-N 1 3 213.325 0.226 10 0 BCAEHO CN1CCC[C@H](NC(=O)[C@H]2CCC[C@H]([NH3+])C2)C1 ZINC000250598389 487736899 /nfs/dbraw/zinc/73/68/99/487736899.db2.gz JJASWJRYSCMDFX-SRVKXCTJSA-N 1 3 239.363 0.714 10 0 BCAEHO CC(C)[C@H]([NH3+])CC(=O)N[C@H]1CCN(C)[C@H](C)C1 ZINC000252106521 487816014 /nfs/dbraw/zinc/81/60/14/487816014.db2.gz IZFRHBSXYVZLKM-GRYCIOLGSA-N 1 3 241.379 0.959 10 0 BCAEHO CC(C)[C@H]([NH3+])CC(=O)N[C@@H]1CCN(C)[C@H](C)C1 ZINC000252106522 487816066 /nfs/dbraw/zinc/81/60/66/487816066.db2.gz IZFRHBSXYVZLKM-IJLUTSLNSA-N 1 3 241.379 0.959 10 0 BCAEHO [NH3+]C[C@@H]1CCC[C@H]1C(=O)NCCN1CCCC1 ZINC000089450645 487817810 /nfs/dbraw/zinc/81/78/10/487817810.db2.gz XWLLHEPZTJHTSW-NWDGAFQWSA-N 1 3 239.363 0.573 10 0 BCAEHO [NH3+]C[C@H]1CCC[C@@H]1C(=O)NCCN1CCCC1 ZINC000089450644 487817545 /nfs/dbraw/zinc/81/75/45/487817545.db2.gz XWLLHEPZTJHTSW-NEPJUHHUSA-N 1 3 239.363 0.573 10 0 BCAEHO [NH3+]C[C@@H]1CCC[C@@H]1C(=O)NCCN1CCCC1 ZINC000089450646 487817685 /nfs/dbraw/zinc/81/76/85/487817685.db2.gz XWLLHEPZTJHTSW-RYUDHWBXSA-N 1 3 239.363 0.573 10 0 BCAEHO COC[C@H](C)N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000666774626 487878722 /nfs/dbraw/zinc/87/87/22/487878722.db2.gz GAROMHGWOSFTSE-DCAQKATOSA-N 1 3 200.326 0.999 10 0 BCAEHO COC[C@H](C)[NH2+][C@@H](C)[C@H]1CCCNC1 ZINC000666774626 487878727 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VPEPSXVQJAKZQR-SECBINFHSA-N 1 3 209.297 0.264 10 0 BCAEHO C[C@@H]1CCN(C[C@@H]2CCC[NH2+]C2)C[C@@H]1CO ZINC000622005007 370655827 /nfs/dbraw/zinc/65/58/27/370655827.db2.gz XQSIIECZLQIWNZ-JHJVBQTASA-N 1 3 226.364 0.936 10 0 BCAEHO C[C@@H]1CC[N@H+](C[C@@H]2CCCNC2)C[C@@H]1CO ZINC000622005007 370655829 /nfs/dbraw/zinc/65/58/29/370655829.db2.gz XQSIIECZLQIWNZ-JHJVBQTASA-N 1 3 226.364 0.936 10 0 BCAEHO C[C@@H]1CC[N@@H+](C[C@@H]2CCCNC2)C[C@@H]1CO ZINC000622005007 370655833 /nfs/dbraw/zinc/65/58/33/370655833.db2.gz XQSIIECZLQIWNZ-JHJVBQTASA-N 1 3 226.364 0.936 10 0 BCAEHO C[C@H]1CN(CCc2cn[nH]c2)C[C@@H]1C[NH3+] ZINC000641821676 362772494 /nfs/dbraw/zinc/77/24/94/362772494.db2.gz OIHQGSWQWJWLQJ-ONGXEEELSA-N 1 3 208.309 0.479 10 0 BCAEHO [NH3+][C@H]1C[C@@H]2CN(Cc3ccccc3)CCN2C1 ZINC000250636564 362814510 /nfs/dbraw/zinc/81/45/10/362814510.db2.gz AIAVGVUKMQGAHP-UONOGXRCSA-N 1 3 231.343 0.904 10 0 BCAEHO CCN1CCC[C@H]1CNC(=O)[C@@H](C)[NH2+]C ZINC000054071689 348873762 /nfs/dbraw/zinc/87/37/62/348873762.db2.gz VGRAIZYZNVZHKZ-ZJUUUORDSA-N 1 3 213.325 0.195 10 0 BCAEHO C[NH2+][C@H](C)C(=O)NCc1ccccc1CN(C)C ZINC000054076406 348879492 /nfs/dbraw/zinc/87/94/92/348879492.db2.gz VKJSEXCCKAZNRE-LLVKDONJSA-N 1 3 249.358 0.972 10 0 BCAEHO CCN(C(=O)C1CCN(C)CC1)[C@H]1CC[NH2+]C1 ZINC000616571772 349060464 /nfs/dbraw/zinc/06/04/64/349060464.db2.gz ICGHCHNEEKOETE-LBPRGKRZSA-N 1 3 239.363 0.539 10 0 BCAEHO C[C@@H]([NH3+])CCNC(=O)[C@@H](N)C(C)(C)C ZINC000309021689 349305581 /nfs/dbraw/zinc/30/55/81/349305581.db2.gz XNYMZUZTQPQHJG-HTQZYQBOSA-N 1 3 201.314 0.213 10 0 BCAEHO [NH3+][C@@H]1CC[C@@H](C(=O)Nc2ccnn2C2CNC2)C1 ZINC000725258004 538071091 /nfs/dbraw/zinc/07/10/91/538071091.db2.gz CQBGRPIMMSUKCW-RKDXNWHRSA-N 1 3 249.318 0.093 10 0 BCAEHO C[C@](N)(C(=O)Nc1ccnn1C1C[NH2+]C1)C1CC1 ZINC000725258899 538077944 /nfs/dbraw/zinc/07/79/44/538077944.db2.gz JLMMQDGAKXUBQN-GFCCVEGCSA-N 1 3 249.318 0.093 10 0 BCAEHO CCN1CCC[C@@H]1CNC1CC[NH2+]CC1 ZINC000038040594 350303025 /nfs/dbraw/zinc/30/30/25/350303025.db2.gz FGUSXVBFIJQULC-GFCCVEGCSA-N 1 3 211.353 0.812 10 0 BCAEHO CCC[C@H](N)C(=O)N1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000309506092 350678795 /nfs/dbraw/zinc/67/87/95/350678795.db2.gz VWVYYWGDYGWZAR-AEJSXWLSSA-N 1 3 213.325 0.310 10 0 BCAEHO CN(C(=O)[C@@]1(C)CCC[NH2+]1)C1CCN(C)CC1 ZINC000079510791 351066980 /nfs/dbraw/zinc/06/69/80/351066980.db2.gz LTXZHJWFNUGLCF-CYBMUJFWSA-N 1 3 239.363 0.681 10 0 BCAEHO CCN1CCC(NC(=O)[C@@]2(C)CCC[NH2+]2)CC1 ZINC000079518695 351071183 /nfs/dbraw/zinc/07/11/83/351071183.db2.gz WCWYTLSXFBDRLY-CYBMUJFWSA-N 1 3 239.363 0.729 10 0 BCAEHO CN1CC=C(CC2CC(C[NH3+])(CO)C2)CC1 ZINC000606302539 351553471 /nfs/dbraw/zinc/55/34/71/351553471.db2.gz OVTBIABDZAXHTQ-UHFFFAOYSA-N 1 3 224.348 0.986 10 0 BCAEHO C[C@@H]1[C@H](O)CCCN1CCC(C)(C)[NH3+] ZINC000307253100 351784050 /nfs/dbraw/zinc/78/40/50/351784050.db2.gz UOKXGJFQULGEHT-NXEZZACHSA-N 1 3 200.326 0.959 10 0 BCAEHO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)C(C)(C)N ZINC000083889419 352050311 /nfs/dbraw/zinc/05/03/11/352050311.db2.gz RTPNTKDUAHJUPZ-JTQLQIEISA-N 1 3 227.352 0.666 10 0 BCAEHO CC[N@H+]1CCC[C@H]1CN(C)C(=O)C(C)(C)N ZINC000083889419 352050315 /nfs/dbraw/zinc/05/03/15/352050315.db2.gz RTPNTKDUAHJUPZ-JTQLQIEISA-N 1 3 227.352 0.666 10 0 BCAEHO CN(C)[C@@H]1CCN(C(=O)C2=CC[C@@H]([NH3+])C2)C1 ZINC000638276151 352113225 /nfs/dbraw/zinc/11/32/25/352113225.db2.gz QVFFATHFFMFTSP-GHMZBOCLSA-N 1 3 223.320 0.196 10 0 BCAEHO CN(C(=O)[C@@H]1CCC[NH2+]C1)[C@@H]1CCCN(C)C1 ZINC000053245680 187707176 /nfs/dbraw/zinc/70/71/76/187707176.db2.gz BMHQVUAVPLBQJS-VXGBXAGGSA-N 1 3 239.363 0.539 10 0 BCAEHO CC(C)N(C)C(=O)CN1CCC([C@@H](C)[NH3+])CC1 ZINC000104442177 188233452 /nfs/dbraw/zinc/23/34/52/188233452.db2.gz JJAZVNWBDCJVSD-LLVKDONJSA-N 1 3 241.379 0.912 10 0 BCAEHO CCC[C@H](N)C(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000165319909 353299205 /nfs/dbraw/zinc/29/92/05/353299205.db2.gz QYJXSVYPDDOODI-NEPJUHHUSA-N 1 3 241.379 0.914 10 0 BCAEHO CCC[C@H](N)C(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000165319909 353299208 /nfs/dbraw/zinc/29/92/08/353299208.db2.gz QYJXSVYPDDOODI-NEPJUHHUSA-N 1 3 241.379 0.914 10 0 BCAEHO CC(C)N(CCCO)C[C@@]1(C[NH3+])CCCOC1 ZINC000104315960 188324360 /nfs/dbraw/zinc/32/43/60/188324360.db2.gz BZNWEQGRUMVHEV-ZDUSSCGKSA-N 1 3 244.379 0.835 10 0 BCAEHO CCN1CCC(N(C)C(=O)[C@H]2CC[NH2+]C2)CC1 ZINC000062112948 353550951 /nfs/dbraw/zinc/55/09/51/353550951.db2.gz MFNOOZOHMYNFRV-NSHDSACASA-N 1 3 239.363 0.539 10 0 BCAEHO CNC(=O)[C@]1(C)CC[N@H+](C[C@@H]2CCCNC2)C1 ZINC000230896542 353551036 /nfs/dbraw/zinc/55/10/36/353551036.db2.gz JSDYCLKLWISTJC-DGCLKSJQSA-N 1 3 239.363 0.444 10 0 BCAEHO CNC(=O)[C@]1(C)CC[N@@H+](C[C@@H]2CCCNC2)C1 ZINC000230896542 353551038 /nfs/dbraw/zinc/55/10/38/353551038.db2.gz JSDYCLKLWISTJC-DGCLKSJQSA-N 1 3 239.363 0.444 10 0 BCAEHO CCN1CCC[C@H](NC(=O)[C@@H]2CC[NH2+]C2)C1 ZINC000062115830 353551576 /nfs/dbraw/zinc/55/15/76/353551576.db2.gz UETQVLXZCHWPDN-MNOVXSKESA-N 1 3 225.336 0.196 10 0 BCAEHO CN(C)[C@@H]1CCN(C(=O)[C@@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000220311756 353833609 /nfs/dbraw/zinc/83/36/09/353833609.db2.gz BTFGQEZMLFJZNK-IJLUTSLNSA-N 1 3 239.363 0.666 10 0 BCAEHO CCN(CCC(=O)OC)C[C@@H]1CCC[NH2+]C1 ZINC000220366687 353837137 /nfs/dbraw/zinc/83/71/37/353837137.db2.gz ZRGJMXXPZXBMEC-LLVKDONJSA-N 1 3 228.336 0.871 10 0 BCAEHO CC[N@H+](CCC(=O)OC)C[C@@H]1CCCNC1 ZINC000220366687 353837140 /nfs/dbraw/zinc/83/71/40/353837140.db2.gz ZRGJMXXPZXBMEC-LLVKDONJSA-N 1 3 228.336 0.871 10 0 BCAEHO CC[N@@H+](CCC(=O)OC)C[C@@H]1CCCNC1 ZINC000220366687 353837141 /nfs/dbraw/zinc/83/71/41/353837141.db2.gz ZRGJMXXPZXBMEC-LLVKDONJSA-N 1 3 228.336 0.871 10 0 BCAEHO NC(=[NH2+])c1ccc(CN(CCO)C2CC2)cc1 ZINC000042479687 181194047 /nfs/dbraw/zinc/19/40/47/181194047.db2.gz ABLAXMKBPAQLCY-UHFFFAOYSA-N 1 3 233.315 0.927 10 0 BCAEHO NC(=[NH2+])c1ccc(CN2CCC[C@@H]2CO)cc1 ZINC000042432925 181194320 /nfs/dbraw/zinc/19/43/20/181194320.db2.gz BWGMMUPLQCOENP-GFCCVEGCSA-N 1 3 233.315 0.927 10 0 BCAEHO NC(=O)CC1CC[NH+]([C@@H]2CCCC[C@H]2N)CC1 ZINC000042438607 181219650 /nfs/dbraw/zinc/21/96/50/181219650.db2.gz NSRVSEUKXSBQSG-VXGBXAGGSA-N 1 3 239.363 0.844 10 0 BCAEHO O[C@@H]1C[NH2+]C[C@@H]1CNc1ccnc2ccccc21 ZINC000420256634 192188830 /nfs/dbraw/zinc/18/88/30/192188830.db2.gz VJHKTFDMBIYCQU-QMTHXVAHSA-N 1 3 243.310 0.649 10 0 BCAEHO CC(C)C[C@H](CN[C@@H]1CC[NH2+]C1)N(C)C ZINC000086725765 535313033 /nfs/dbraw/zinc/31/30/33/535313033.db2.gz KLAWWFYAMSJFNR-VXGBXAGGSA-N 1 3 213.369 0.914 10 0 BCAEHO Cn1cc(CCC2=C[C@H]([NH3+])CNC2)cn1 ZINC000675079402 538517153 /nfs/dbraw/zinc/51/71/53/538517153.db2.gz YGNGHOWINAHTFV-NSHDSACASA-N 1 3 206.293 0.210 10 0 BCAEHO CN(C1CC1)[C@H]1C[C@H]([NH3+])C12CCOCC2 ZINC000675078943 538517583 /nfs/dbraw/zinc/51/75/83/538517583.db2.gz CJGLBNSZJQKDCB-QWRGUYRKSA-N 1 3 210.321 0.977 10 0 BCAEHO C[N@H+](C1CC1)[C@H]1C[C@H](N)C12CCOCC2 ZINC000675078943 538517586 /nfs/dbraw/zinc/51/75/86/538517586.db2.gz CJGLBNSZJQKDCB-QWRGUYRKSA-N 1 3 210.321 0.977 10 0 BCAEHO C[N@@H+](C1CC1)[C@H]1C[C@H](N)C12CCOCC2 ZINC000675078943 538517590 /nfs/dbraw/zinc/51/75/90/538517590.db2.gz CJGLBNSZJQKDCB-QWRGUYRKSA-N 1 3 210.321 0.977 10 0 BCAEHO c1ncn(CCN[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)n1 ZINC000394295467 357351374 /nfs/dbraw/zinc/35/13/74/357351374.db2.gz PHYAWPHEJWOIGH-YNEHKIRRSA-N 1 3 249.362 0.788 10 0 BCAEHO CN(CC1CCN(C)CC1)C(=O)[C@@H]1CC[NH2+]C1 ZINC000063122330 357529565 /nfs/dbraw/zinc/52/95/65/357529565.db2.gz LDHLHRHYUVOAJO-GFCCVEGCSA-N 1 3 239.363 0.396 10 0 BCAEHO C[C@@H]1C[NH2+]C[C@H](C)[C@H]1N1CCCOCC1 ZINC000685950473 538894133 /nfs/dbraw/zinc/89/41/33/538894133.db2.gz AACLQRIMKWHEEC-GDNZZTSVSA-N 1 3 212.337 0.953 10 0 BCAEHO C[C@@H]1CNC[C@H](C)[C@H]1[N@@H+]1CCCOCC1 ZINC000685950473 538894134 /nfs/dbraw/zinc/89/41/34/538894134.db2.gz AACLQRIMKWHEEC-GDNZZTSVSA-N 1 3 212.337 0.953 10 0 BCAEHO C[C@@H]1CNC[C@H](C)[C@H]1[N@H+]1CCCOCC1 ZINC000685950473 538894135 /nfs/dbraw/zinc/89/41/35/538894135.db2.gz AACLQRIMKWHEEC-GDNZZTSVSA-N 1 3 212.337 0.953 10 0 BCAEHO CCN1CCC[C@H]1CN(C)C(=O)[C@@H](C)C[NH3+] ZINC000086188183 357872606 /nfs/dbraw/zinc/87/26/06/357872606.db2.gz DKAVEMUYUGDQDG-QWRGUYRKSA-N 1 3 227.352 0.524 10 0 BCAEHO CCC[N@H+](CC)CCNC(=O)[C@@H](C)NC ZINC000220010535 358023961 /nfs/dbraw/zinc/02/39/61/358023961.db2.gz HGLDKOLJBPSJOQ-SNVBAGLBSA-N 1 3 215.341 0.442 10 0 BCAEHO CCC[N@@H+](CC)CCNC(=O)[C@@H](C)NC ZINC000220010535 358023962 /nfs/dbraw/zinc/02/39/62/358023962.db2.gz HGLDKOLJBPSJOQ-SNVBAGLBSA-N 1 3 215.341 0.442 10 0 BCAEHO CN[C@H](C)C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000220882462 358055944 /nfs/dbraw/zinc/05/59/44/358055944.db2.gz XFFAZMUCYDEWBM-GRYCIOLGSA-N 1 3 239.363 0.537 10 0 BCAEHO CN[C@H](C)C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000220882462 358055946 /nfs/dbraw/zinc/05/59/46/358055946.db2.gz XFFAZMUCYDEWBM-GRYCIOLGSA-N 1 3 239.363 0.537 10 0 BCAEHO C(CN1CCCC1)N[C@H]1CCC[NH2+]CC1 ZINC000168709469 134246477 /nfs/dbraw/zinc/24/64/77/134246477.db2.gz TZJZWPDLXIEFGV-LBPRGKRZSA-N 1 3 211.353 0.814 10 0 BCAEHO CN1CCC[C@H]1CNC(=O)C[C@@H]1CCC[NH2+]C1 ZINC000226078760 358334030 /nfs/dbraw/zinc/33/40/30/358334030.db2.gz KYBVWTNPPOJMBL-RYUDHWBXSA-N 1 3 239.363 0.587 10 0 BCAEHO CCN1CCC[C@H]1CNC(=O)[C@@]1(C)CCC[NH2+]1 ZINC000227077981 358348082 /nfs/dbraw/zinc/34/80/82/358348082.db2.gz HWUWKFLGSUPHLN-WCQYABFASA-N 1 3 239.363 0.729 10 0 BCAEHO CN1CCC[C@H](CNC(=O)[C@@H]2CC[C@@H]([NH3+])C2)C1 ZINC000227800968 358363681 /nfs/dbraw/zinc/36/36/81/358363681.db2.gz ANOQWTQHSQDAED-IJLUTSLNSA-N 1 3 239.363 0.572 10 0 BCAEHO CN(C)[C@@H]1CCN(C(=O)[C@@H]2CC[C@@H]([NH3+])C2)C1 ZINC000227815184 358363786 /nfs/dbraw/zinc/36/37/86/358363786.db2.gz DMIYIAFHIBHNQV-GMTAPVOTSA-N 1 3 225.336 0.276 10 0 BCAEHO CN[C@H](C)C(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000086932361 359591723 /nfs/dbraw/zinc/59/17/23/359591723.db2.gz ZZJUGIAPPRAIBZ-GMTAPVOTSA-N 1 3 225.336 0.289 10 0 BCAEHO CN[C@H](C)C(=O)N1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC000086932361 359591727 /nfs/dbraw/zinc/59/17/27/359591727.db2.gz ZZJUGIAPPRAIBZ-GMTAPVOTSA-N 1 3 225.336 0.289 10 0 BCAEHO C[NH2+][C@H](C)C(=O)N1C[C@H]2CCCN2C[C@H]1C ZINC000086932361 359591730 /nfs/dbraw/zinc/59/17/30/359591730.db2.gz ZZJUGIAPPRAIBZ-GMTAPVOTSA-N 1 3 225.336 0.289 10 0 BCAEHO CC[C@](C)([C@H](C)[NH3+])N1C[C@H](O)C[C@@H]1C ZINC000306514877 360338044 /nfs/dbraw/zinc/33/80/44/360338044.db2.gz BKYDNJJMIJQODY-UKKRHICBSA-N 1 3 200.326 0.957 10 0 BCAEHO CN1CCOC[C@H]1CN[C@H]1CCC[NH2+]CC1 ZINC000629532778 361154028 /nfs/dbraw/zinc/15/40/28/361154028.db2.gz RRBMUXGYYPFYFK-NWDGAFQWSA-N 1 3 227.352 0.049 10 0 BCAEHO C[C@H](NC[C@H]1COCCN1C)[C@H]1CCC[NH2+]C1 ZINC000629532866 361155512 /nfs/dbraw/zinc/15/55/12/361155512.db2.gz WZLBWPFBRBFUGY-AVGNSLFASA-N 1 3 241.379 0.295 10 0 BCAEHO [NH3+]C1CCN(CCCn2ccnc2)CC1 ZINC000049326903 181343349 /nfs/dbraw/zinc/34/33/49/181343349.db2.gz BWIJGPSKVCMWTO-UHFFFAOYSA-N 1 3 208.309 0.696 10 0 BCAEHO [NH3+]C1CC(CC(=O)Nc2ccnn2C2CNC2)C1 ZINC000725259499 541333617 /nfs/dbraw/zinc/33/36/17/541333617.db2.gz CPFVKLFKFVRMOY-UHFFFAOYSA-N 1 3 249.318 0.093 10 0 BCAEHO NCC1(C[N@@H+]2CCC[C@@H](O)C2)CCCC1 ZINC000051257078 181359214 /nfs/dbraw/zinc/35/92/14/181359214.db2.gz MBZGEFFMEGOQNG-LLVKDONJSA-N 1 3 212.337 0.962 10 0 BCAEHO NCC1(C[N@H+]2CCC[C@@H](O)C2)CCCC1 ZINC000051257078 181359216 /nfs/dbraw/zinc/35/92/16/181359216.db2.gz MBZGEFFMEGOQNG-LLVKDONJSA-N 1 3 212.337 0.962 10 0 BCAEHO [NH3+]CC1CCN([C@@H]2CCCCNC2=O)CC1 ZINC000044513841 181365534 /nfs/dbraw/zinc/36/55/34/181365534.db2.gz MZVOPWPMWQXKHK-LLVKDONJSA-N 1 3 225.336 0.326 10 0 BCAEHO CN[C@H](C)C(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC000573815124 364923469 /nfs/dbraw/zinc/92/34/69/364923469.db2.gz LWMKHWKBFUZWGT-ZJUUUORDSA-N 1 3 213.325 0.004 10 0 BCAEHO [NH3+]CCCCCC(=O)N[C@@H]1CN2CCC1CC2 ZINC000019505827 181374151 /nfs/dbraw/zinc/37/41/51/181374151.db2.gz RTEWWJBYLFKESI-GFCCVEGCSA-N 1 3 239.363 0.716 10 0 BCAEHO [NH3+]CCCCCC(=O)N1CCN2CCC[C@H]2C1 ZINC000037812600 181373372 /nfs/dbraw/zinc/37/33/72/181373372.db2.gz ICHGEAIHBNLUQE-LBPRGKRZSA-N 1 3 239.363 0.812 10 0 BCAEHO [NH3+]CCCCCC(=O)N1CCN2CCC[C@@H]2C1 ZINC000037812599 181373507 /nfs/dbraw/zinc/37/35/07/181373507.db2.gz ICHGEAIHBNLUQE-GFCCVEGCSA-N 1 3 239.363 0.812 10 0 BCAEHO N[C@H]1C[C@@H]([NH+]2CCCC2)C12CCOCC2 ZINC000675080591 541467940 /nfs/dbraw/zinc/46/79/40/541467940.db2.gz SQEJKWVRDACXOE-WDEREUQCSA-N 1 3 210.321 0.979 10 0 BCAEHO CCC[C@@H](N)C(=O)N1CC[C@H](C[NH2+]C)C1 ZINC000381148938 367356211 /nfs/dbraw/zinc/35/62/11/367356211.db2.gz ACCAJTZEMIRQKF-NXEZZACHSA-N 1 3 213.325 0.182 10 0 BCAEHO O[C@@H]1COCC[C@@H]1N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000623766632 369029571 /nfs/dbraw/zinc/02/95/71/369029571.db2.gz JLUAMZFODFUSIP-QNWHQSFQSA-N 1 3 240.347 0.353 10 0 BCAEHO O[C@@H]1COCC[C@@H]1N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000623766632 369029576 /nfs/dbraw/zinc/02/95/76/369029576.db2.gz JLUAMZFODFUSIP-QNWHQSFQSA-N 1 3 240.347 0.353 10 0 BCAEHO COC(=O)CCN1CCC[C@H](C)[C@@H]1CC[NH3+] ZINC000404427851 369429464 /nfs/dbraw/zinc/42/94/64/369429464.db2.gz MVQPTKPUMXCTKJ-QWRGUYRKSA-N 1 3 228.336 0.999 10 0 BCAEHO COC(=O)CC[N@@H+]1CCC[C@H](C)[C@@H]1CCN ZINC000404427851 369429467 /nfs/dbraw/zinc/42/94/67/369429467.db2.gz MVQPTKPUMXCTKJ-QWRGUYRKSA-N 1 3 228.336 0.999 10 0 BCAEHO COC(=O)CC[N@H+]1CCC[C@H](C)[C@@H]1CCN ZINC000404427851 369429468 /nfs/dbraw/zinc/42/94/68/369429468.db2.gz MVQPTKPUMXCTKJ-QWRGUYRKSA-N 1 3 228.336 0.999 10 0 BCAEHO COC(=O)CCN1CCC[C@@H](C)[C@@H]1CC[NH3+] ZINC000404427849 369429631 /nfs/dbraw/zinc/42/96/31/369429631.db2.gz MVQPTKPUMXCTKJ-MNOVXSKESA-N 1 3 228.336 0.999 10 0 BCAEHO COC(=O)CC[N@@H+]1CCC[C@@H](C)[C@@H]1CCN ZINC000404427849 369429633 /nfs/dbraw/zinc/42/96/33/369429633.db2.gz MVQPTKPUMXCTKJ-MNOVXSKESA-N 1 3 228.336 0.999 10 0 BCAEHO COC(=O)CC[N@H+]1CCC[C@@H](C)[C@@H]1CCN ZINC000404427849 369429635 /nfs/dbraw/zinc/42/96/35/369429635.db2.gz MVQPTKPUMXCTKJ-MNOVXSKESA-N 1 3 228.336 0.999 10 0 BCAEHO C[NH2+][C@H](C)C(=O)N1CCCC[C@@H]1CN(C)C ZINC000404961888 369441053 /nfs/dbraw/zinc/44/10/53/369441053.db2.gz KDWXQXFRBIQHOF-GHMZBOCLSA-N 1 3 227.352 0.537 10 0 BCAEHO N[C@H](CN1CC[NH2+]CC1)c1ccccc1 ZINC000059732118 181618212 /nfs/dbraw/zinc/61/82/12/181618212.db2.gz OTRKXADANITCHG-GFCCVEGCSA-N 1 3 205.305 0.592 10 0 BCAEHO COCCCC[N@@H+]1C[C@H](C)[C@@H](CN)C1 ZINC000631840038 372635847 /nfs/dbraw/zinc/63/58/47/372635847.db2.gz OUYJDRLELVIVHW-QWRGUYRKSA-N 1 3 200.326 0.940 10 0 BCAEHO COCCCC[N@H+]1C[C@H](C)[C@@H](CN)C1 ZINC000631840038 372635848 /nfs/dbraw/zinc/63/58/48/372635848.db2.gz OUYJDRLELVIVHW-QWRGUYRKSA-N 1 3 200.326 0.940 10 0 BCAEHO CC(C)C[C@H](CO)NC[C@@H](O)C[NH+]1CCCC1 ZINC000040777181 373700215 /nfs/dbraw/zinc/70/02/15/373700215.db2.gz XUVMWHQJWOGKEC-CHWSQXEVSA-N 1 3 244.379 0.440 10 0 BCAEHO O=C(NCCN1CCCCCC1)[C@@H]1CCC[NH2+]1 ZINC000040433044 182184951 /nfs/dbraw/zinc/18/49/51/182184951.db2.gz FWEJWKWTKOIGHZ-LBPRGKRZSA-N 1 3 239.363 0.731 10 0 BCAEHO O[C@@H]1CNCC[C@@H]1[NH2+]Cc1ccccc1 ZINC000034122516 183207868 /nfs/dbraw/zinc/20/78/68/183207868.db2.gz AHEIGAOSXRVHSH-NWDGAFQWSA-N 1 3 206.289 0.499 10 0 BCAEHO CCC[NH+]1CCC([C@@H](C)N[C@@H](C)C(N)=O)CC1 ZINC000035792312 169190773 /nfs/dbraw/zinc/19/07/73/169190773.db2.gz MGNBCZXQKHXLDV-MNOVXSKESA-N 1 3 241.379 0.960 10 0 BCAEHO CCCN1CCN(C[C@@H]2CCC[NH2+]2)CC1 ZINC000019933577 169203805 /nfs/dbraw/zinc/20/38/05/169203805.db2.gz HAFKMMMKSOUTEG-LBPRGKRZSA-N 1 3 211.353 0.766 10 0 BCAEHO CCC[NH2+]CCNCCCN1CCN(C)CC1 ZINC000049474717 169259098 /nfs/dbraw/zinc/25/90/98/169259098.db2.gz GYILWLHCJBEOPS-UHFFFAOYSA-N 1 3 242.411 0.213 10 0 BCAEHO CCC[C@@H](N)C(=O)N1CCCC[C@@H]1C[NH3+] ZINC000236903869 169388260 /nfs/dbraw/zinc/38/82/60/169388260.db2.gz KPFCKXWBZCICJS-NXEZZACHSA-N 1 3 213.325 0.454 10 0 BCAEHO CCC[C@@H](N)C(=O)NCCC[NH+](C)C ZINC000036872927 169389547 /nfs/dbraw/zinc/38/95/47/169389547.db2.gz PKSKGUGUKPSRSW-SECBINFHSA-N 1 3 201.314 0.182 10 0 BCAEHO CCC[C@@H](N)C(=O)NCC[NH+](CC)CC ZINC000036872627 169389005 /nfs/dbraw/zinc/38/90/05/169389005.db2.gz PEGSMGIDPMCBAM-SNVBAGLBSA-N 1 3 215.341 0.572 10 0 BCAEHO CC(C)[C@@H](N)C(=O)N1CCC2(CC(C[NH3+])C2)C1 ZINC000095087980 384360747 /nfs/dbraw/zinc/36/07/47/384360747.db2.gz WILXGZSMXMTFGN-QWKFWESOSA-N 1 3 239.363 0.557 10 0 BCAEHO C[C@H](N)C(=O)N1CCC2(C1)CC[NH+](C)CC2 ZINC000095088838 384360824 /nfs/dbraw/zinc/36/08/24/384360824.db2.gz BAEAQSJIEJKVMA-JTQLQIEISA-N 1 3 225.336 0.278 10 0 BCAEHO CS[C@H](CO)[C@H](C)N[C@H]1CCC[NH2+]CC1 ZINC000300397997 384369483 /nfs/dbraw/zinc/36/94/83/384369483.db2.gz RVDBYUSYHCMZDO-GARJFASQSA-N 1 3 232.393 0.831 10 0 BCAEHO C[C@@H]([NH3+])CCC(=O)N1CCN2CCC[C@@H]2C1 ZINC000069839516 384386792 /nfs/dbraw/zinc/38/67/92/384386792.db2.gz KJWHFDUZICYSGN-GHMZBOCLSA-N 1 3 225.336 0.420 10 0 BCAEHO CCC[C@H](N)C(=O)N1CC[C@@H](C[N@H+](C)CC)C1 ZINC000236808700 384575961 /nfs/dbraw/zinc/57/59/61/384575961.db2.gz SDNZCQQHRMPHDH-RYUDHWBXSA-N 1 3 241.379 0.914 10 0 BCAEHO CCC[C@H](N)C(=O)N1CC[C@@H](C[N@@H+](C)CC)C1 ZINC000236808700 384575965 /nfs/dbraw/zinc/57/59/65/384575965.db2.gz SDNZCQQHRMPHDH-RYUDHWBXSA-N 1 3 241.379 0.914 10 0 BCAEHO CCN(CC)CC(=O)N1CCC[C@H]1C[NH3+] ZINC000236838012 384594271 /nfs/dbraw/zinc/59/42/71/384594271.db2.gz WPOBHKTTYUGNOR-JTQLQIEISA-N 1 3 213.325 0.278 10 0 BCAEHO [NH3+]C[C@@H]1CCN(Cc2ccccc2)C[C@@H]1O ZINC000100279343 384631986 /nfs/dbraw/zinc/63/19/86/384631986.db2.gz RRDGDEYDSHWRTM-STQMWFEESA-N 1 3 220.316 0.828 10 0 BCAEHO N[C@H](CC(F)F)C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000335919107 384703844 /nfs/dbraw/zinc/70/38/44/384703844.db2.gz HJXJOSAXJQFDLF-RKDXNWHRSA-N 1 3 247.289 0.276 10 0 BCAEHO N[C@H](CC(F)F)C(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000335919107 384703848 /nfs/dbraw/zinc/70/38/48/384703848.db2.gz HJXJOSAXJQFDLF-RKDXNWHRSA-N 1 3 247.289 0.276 10 0 BCAEHO CN[C@H](C)C(=O)NC[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000054076056 384731102 /nfs/dbraw/zinc/73/11/02/384731102.db2.gz CAVNVERAWKZOCL-MNOVXSKESA-N 1 3 227.352 0.441 10 0 BCAEHO CN[C@H](C)C(=O)NC[C@@H]1CC[N@H+](C(C)C)C1 ZINC000054076056 384731109 /nfs/dbraw/zinc/73/11/09/384731109.db2.gz CAVNVERAWKZOCL-MNOVXSKESA-N 1 3 227.352 0.441 10 0 BCAEHO CC[C@H](C[NH3+])[C@@]1(O)CCN(C)[C@H](C)C1 ZINC000157179024 385490626 /nfs/dbraw/zinc/49/06/26/385490626.db2.gz WELBDZNRTLDYSS-GMTAPVOTSA-N 1 3 200.326 0.817 10 0 BCAEHO CC(C)C[C@H](C)NC[C@H]1C[NH2+]C[C@@H]1O ZINC000336649787 385603424 /nfs/dbraw/zinc/60/34/24/385603424.db2.gz IOKATZYCRDFOGI-AXFHLTTASA-N 1 3 200.326 0.591 10 0 BCAEHO CC(C)C[C@H](C)[NH2+]C[C@H]1CNC[C@@H]1O ZINC000336649787 385603429 /nfs/dbraw/zinc/60/34/29/385603429.db2.gz IOKATZYCRDFOGI-AXFHLTTASA-N 1 3 200.326 0.591 10 0 BCAEHO [NH3+]C[C@H]1CC[C@@H](CN2CCSCC2)O1 ZINC000052425648 385733814 /nfs/dbraw/zinc/73/38/14/385733814.db2.gz GFAHMFKUHSUJQK-ZJUUUORDSA-N 1 3 216.350 0.542 10 0 BCAEHO [NH3+]C[C@H]1CC[C@H](CN2CCSCC2)O1 ZINC000052425646 385734136 /nfs/dbraw/zinc/73/41/36/385734136.db2.gz GFAHMFKUHSUJQK-NXEZZACHSA-N 1 3 216.350 0.542 10 0 BCAEHO [NH3+]CCN1CCNC[C@H]1c1ccc(CO)cc1 ZINC000616636028 385820879 /nfs/dbraw/zinc/82/08/79/385820879.db2.gz PXEZKPDVHXEGJH-ZDUSSCGKSA-N 1 3 235.331 0.084 10 0 BCAEHO C[C@H](O)C(C)(C)[NH2+]C[C@H]1CCCNC1 ZINC000220391109 385965111 /nfs/dbraw/zinc/96/51/11/385965111.db2.gz KIZXPHFFPWRYLX-UWVGGRQHSA-N 1 3 200.326 0.735 10 0 BCAEHO C[C@H](O)C(C)(C)NC[C@H]1CCC[NH2+]C1 ZINC000220391109 385965115 /nfs/dbraw/zinc/96/51/15/385965115.db2.gz KIZXPHFFPWRYLX-UWVGGRQHSA-N 1 3 200.326 0.735 10 0 BCAEHO Cn1nccc1CCN1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000310403583 386178889 /nfs/dbraw/zinc/17/88/89/386178889.db2.gz LELRWTNDILWMMS-CYZMBNFOSA-N 1 3 234.347 0.632 10 0 BCAEHO CC(C)[C@@H](N)C(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000094459743 386454829 /nfs/dbraw/zinc/45/48/29/386454829.db2.gz BNWBCLOOZVWAIW-IJLUTSLNSA-N 1 3 239.363 0.665 10 0 BCAEHO CC(C)[C@@H](N)C(=O)N1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC000094459743 386454836 /nfs/dbraw/zinc/45/48/36/386454836.db2.gz BNWBCLOOZVWAIW-IJLUTSLNSA-N 1 3 239.363 0.665 10 0 BCAEHO Cc1cn[nH]c1CN[C@H]1CCC[C@@H]1C[NH3+] ZINC000414799108 386577667 /nfs/dbraw/zinc/57/76/67/386577667.db2.gz JNSQCBTXWTXYHF-ZJUUUORDSA-N 1 3 208.309 0.935 10 0 BCAEHO C[NH+](C)[C@H]1CCN(C(=O)[C@@H](N)C(C)(C)C)C1 ZINC000062971991 386535186 /nfs/dbraw/zinc/53/51/86/386535186.db2.gz OHRROOUCPMFQJD-VHSXEESVSA-N 1 3 227.352 0.522 10 0 BCAEHO CN(C)[C@@H]1CCN(C(=O)[C@@H]2CCCC[NH2+]2)C1 ZINC000062972171 386535860 /nfs/dbraw/zinc/53/58/60/386535860.db2.gz GCOVDYBNOHCZCV-MNOVXSKESA-N 1 3 225.336 0.291 10 0 BCAEHO C[C@@H]1C[NH2+]C[C@H]1C(=O)N1CCN2CCC1CC2 ZINC000335462380 386545589 /nfs/dbraw/zinc/54/55/89/386545589.db2.gz FYXCBFHBTOIKRO-ZYHUDNBSSA-N 1 3 237.347 0.149 10 0 BCAEHO CN(C(=O)[C@@H]1CC[C@@H]([NH3+])C1)C1CCN(C)CC1 ZINC000097092440 386627725 /nfs/dbraw/zinc/62/77/25/386627725.db2.gz JOYSSBWWBAVINJ-GHMZBOCLSA-N 1 3 239.363 0.666 10 0 BCAEHO C[C@@]1(C(=O)N2CCN3CCC[C@H]3C2)CC[NH2+]C1 ZINC000250795158 387122141 /nfs/dbraw/zinc/12/21/41/387122141.db2.gz LKNQNJCHPZGGAS-WCQYABFASA-N 1 3 237.347 0.293 10 0 BCAEHO CN(C)[C@H]1CCN(C(=O)[C@@]2(C)CC[NH2+]C2)C1 ZINC000062972091 387190671 /nfs/dbraw/zinc/19/06/71/387190671.db2.gz AACNKRFNAPDOPY-JQWIXIFHSA-N 1 3 225.336 0.149 10 0 BCAEHO C[C@H](CNC(=O)[C@@H]1CC[C@@H]([NH3+])C1)N(C)C1CC1 ZINC000226398603 387950397 /nfs/dbraw/zinc/95/03/97/387950397.db2.gz CMQQMNGNRBYMJH-GMTAPVOTSA-N 1 3 239.363 0.713 10 0 BCAEHO C[C@H]1[C@H]([NH3+])CCN1C(=O)[C@@H](N)C(C)(C)C ZINC000261571646 135110297 /nfs/dbraw/zinc/11/02/97/135110297.db2.gz HQSXQYIGQFGBNF-DJLDLDEBSA-N 1 3 213.325 0.308 10 0 BCAEHO C[C@@H]1C[NH2+]C[C@H]1C(=O)NCCN(C)C1CC1 ZINC000082560126 388036801 /nfs/dbraw/zinc/03/68/01/388036801.db2.gz YEAQRHQDWHMSTH-MWLCHTKSSA-N 1 3 225.336 0.052 10 0 BCAEHO CN1CCC(NC(=O)[C@H]2CC[C@H]([NH3+])C2)CC1 ZINC000085010080 388082960 /nfs/dbraw/zinc/08/29/60/388082960.db2.gz IPHSCXXPTNTFBL-UWVGGRQHSA-N 1 3 225.336 0.324 10 0 BCAEHO CC(C)[C@@H]([NH3+])CC(=O)N1CCN2CCC1CC2 ZINC000646449875 388359832 /nfs/dbraw/zinc/35/98/32/388359832.db2.gz CCZDMBYKHKTACY-LBPRGKRZSA-N 1 3 239.363 0.666 10 0 BCAEHO CSCC[C@H](N)C(=O)N[C@H]1CCC[NH2+][C@H]1C ZINC000193500155 388362533 /nfs/dbraw/zinc/36/25/33/388362533.db2.gz FOLMXAFBLYJHON-GUBZILKMSA-N 1 3 245.392 0.324 10 0 BCAEHO CN1CCC[C@@H]1CNC(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000300409348 388367339 /nfs/dbraw/zinc/36/73/39/388367339.db2.gz XTIRGYJAMOJPTL-TUAOUCFPSA-N 1 3 239.363 0.572 10 0 BCAEHO CO[C@H](CNC1CC[NH2+]CC1)C(C)C ZINC000362978218 388563395 /nfs/dbraw/zinc/56/33/95/388563395.db2.gz YETDCLQPQRZSGO-LLVKDONJSA-N 1 3 200.326 0.999 10 0 BCAEHO CO[C@H](C[NH2+]C1CCNCC1)C(C)C ZINC000362978218 388563400 /nfs/dbraw/zinc/56/34/00/388563400.db2.gz YETDCLQPQRZSGO-LLVKDONJSA-N 1 3 200.326 0.999 10 0 BCAEHO CN1CCO[C@H](CN[C@H]2CCC[C@H]([NH3+])C2)C1 ZINC000250376685 388788753 /nfs/dbraw/zinc/78/87/53/388788753.db2.gz KTKKFBBAALVXQR-SDDRHHMPSA-N 1 3 227.352 0.177 10 0 BCAEHO CN(CCOCC[NH3+])C[C@H]1CCCO1 ZINC000086435486 135084191 /nfs/dbraw/zinc/08/41/91/135084191.db2.gz FPCSNFNSLCETJF-SNVBAGLBSA-N 1 3 202.298 0.073 10 0 BCAEHO OCC[C@@H]1CC[N@H+](C[C@H]2CCCNC2)C1 ZINC000252686897 135096573 /nfs/dbraw/zinc/09/65/73/135096573.db2.gz KNYRZUGNPOQOBZ-RYUDHWBXSA-N 1 3 212.337 0.690 10 0 BCAEHO OCC[C@@H]1CC[N@@H+](C[C@H]2CCCNC2)C1 ZINC000252686897 135096574 /nfs/dbraw/zinc/09/65/74/135096574.db2.gz KNYRZUGNPOQOBZ-RYUDHWBXSA-N 1 3 212.337 0.690 10 0 BCAEHO OCC[C@@H]1CCN(C[C@H]2CCC[NH2+]C2)C1 ZINC000252686897 135096576 /nfs/dbraw/zinc/09/65/76/135096576.db2.gz KNYRZUGNPOQOBZ-RYUDHWBXSA-N 1 3 212.337 0.690 10 0 BCAEHO CN(C[C@H]1CCCN(C)C1)C(=O)C1C[NH2+]C1 ZINC000258611661 135132762 /nfs/dbraw/zinc/13/27/62/135132762.db2.gz BBOGMEUMWQFSQZ-JTQLQIEISA-N 1 3 225.336 0.006 10 0 BCAEHO CCC[C@H](N)C(=O)NC[C@@H](C)[NH2+]CC ZINC000261531938 135162124 /nfs/dbraw/zinc/16/21/24/135162124.db2.gz IKZUVJHAQFBCQX-BDAKNGLRSA-N 1 3 201.314 0.228 10 0 BCAEHO Cc1nccn1C[C@H]1CCC[N@@H+]1CCN ZINC000261534045 135165520 /nfs/dbraw/zinc/16/55/20/135165520.db2.gz LPVBIQNMUXZGCC-LLVKDONJSA-N 1 3 208.309 0.615 10 0 BCAEHO Cc1nccn1C[C@H]1CCC[N@H+]1CCN ZINC000261534045 135165521 /nfs/dbraw/zinc/16/55/21/135165521.db2.gz LPVBIQNMUXZGCC-LLVKDONJSA-N 1 3 208.309 0.615 10 0 BCAEHO COC(=O)CCN1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000261537990 135175652 /nfs/dbraw/zinc/17/56/52/135175652.db2.gz WZWMVDJHMPTEFK-AEJSXWLSSA-N 1 3 212.293 0.219 10 0 BCAEHO Cn1cc(CCN2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cn1 ZINC000261550227 135189204 /nfs/dbraw/zinc/18/92/04/135189204.db2.gz LANMXQHOQSIPSJ-RWMBFGLXSA-N 1 3 234.347 0.632 10 0 BCAEHO Cn1cc(CCN2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cn1 ZINC000261550229 135189554 /nfs/dbraw/zinc/18/95/54/135189554.db2.gz LANMXQHOQSIPSJ-YNEHKIRRSA-N 1 3 234.347 0.632 10 0 BCAEHO [NH3+][C@@H]1CC[C@H]2CN(CCn3cccn3)C[C@@H]12 ZINC000261596345 135236063 /nfs/dbraw/zinc/23/60/63/135236063.db2.gz YSTCXAHQPZTVRL-QJPTWQEYSA-N 1 3 220.320 0.552 10 0 BCAEHO C[NH2+][C@@H](C)CNC(=O)C1CCN(C)CC1 ZINC000261710836 135247349 /nfs/dbraw/zinc/24/73/49/135247349.db2.gz JWTLHBPKLDKJIB-VIFPVBQESA-N 1 3 213.325 0.052 10 0 BCAEHO C[C@H](CO)N1CCCN(CC(C)(C)[NH3+])CC1 ZINC000261747454 135249982 /nfs/dbraw/zinc/24/99/82/135249982.db2.gz BXBKUCDDRRBTNY-LLVKDONJSA-N 1 3 229.368 0.112 10 0 BCAEHO C[C@@H]1[C@H](C)NCCN1C(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000261805845 135254142 /nfs/dbraw/zinc/25/41/42/135254142.db2.gz MYZPKGSIKPQSKM-IRCOFANPSA-N 1 3 239.363 0.570 10 0 BCAEHO CCN(C)CCNC(=O)C[C@@H]1CCC[C@H]1[NH3+] ZINC000261845088 135257046 /nfs/dbraw/zinc/25/70/46/135257046.db2.gz VHMYIPGVDDAHLQ-WDEREUQCSA-N 1 3 227.352 0.572 10 0 BCAEHO C[C@@H]1CN[C@@H](C)CN1C(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000261882835 135260031 /nfs/dbraw/zinc/26/00/31/135260031.db2.gz UIBMRWMUPZDSCG-IRCOFANPSA-N 1 3 239.363 0.570 10 0 BCAEHO C[C@]1(CN2CCC[C@@H](c3nc[nH]n3)C2)CC[NH2+]C1 ZINC000261914104 135262816 /nfs/dbraw/zinc/26/28/16/135262816.db2.gz YXHIUOVTUPRXHI-YPMHNXCESA-N 1 3 249.362 0.984 10 0 BCAEHO CCC[C@@H](N)C(=O)NCCC[N@H+](C)CCOC ZINC000262164171 135282705 /nfs/dbraw/zinc/28/27/05/135282705.db2.gz VNNIYQDHOVAEJE-LLVKDONJSA-N 1 3 245.367 0.198 10 0 BCAEHO CCC[C@@H](N)C(=O)NCCC[N@@H+](C)CCOC ZINC000262164171 135282707 /nfs/dbraw/zinc/28/27/07/135282707.db2.gz VNNIYQDHOVAEJE-LLVKDONJSA-N 1 3 245.367 0.198 10 0 BCAEHO NC1(C(=O)N[C@H]2CCC[C@@H]2C[NH3+])CCCCC1 ZINC000262431580 135296984 /nfs/dbraw/zinc/29/69/84/135296984.db2.gz JUTXOBGJFIBXOQ-MNOVXSKESA-N 1 3 239.363 0.892 10 0 BCAEHO CCCC[C@H](C[NH3+])NC(=O)[C@H](N)[C@@H](C)CC ZINC000262608722 135315944 /nfs/dbraw/zinc/31/59/44/135315944.db2.gz UEKFXZUHCKHSNJ-HBNTYKKESA-N 1 3 229.368 0.994 10 0 BCAEHO C[C@@H]1[C@H](C)NCCN1C(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000262738766 135316183 /nfs/dbraw/zinc/31/61/83/135316183.db2.gz DCWSNBVPELJRJP-LNFKQOIKSA-N 1 3 225.336 0.323 10 0 BCAEHO CC1CCC(CNC[C@H]2C[NH2+]C[C@H]2O)CC1 ZINC000263107099 135333628 /nfs/dbraw/zinc/33/36/28/135333628.db2.gz AAHLXXABQJKXAO-IFWUJCSASA-N 1 3 226.364 0.983 10 0 BCAEHO CC1CCC(C[NH2+]C[C@H]2CNC[C@H]2O)CC1 ZINC000263107099 135333630 /nfs/dbraw/zinc/33/36/30/135333630.db2.gz AAHLXXABQJKXAO-IFWUJCSASA-N 1 3 226.364 0.983 10 0 BCAEHO C[C@H](CNC(=O)C1C[NH2+]C1)N1CCC[C@@H](C)C1 ZINC000263260206 135343547 /nfs/dbraw/zinc/34/35/47/135343547.db2.gz GFDGARKWMPDBSB-GHMZBOCLSA-N 1 3 239.363 0.442 10 0 BCAEHO CC(C)[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CNC[C@@H]1O ZINC000263303458 135344865 /nfs/dbraw/zinc/34/48/65/135344865.db2.gz XKIBGNOOMSKMSZ-CYDGBPFRSA-N 1 3 226.364 0.981 10 0 BCAEHO CC(C)[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CNC[C@@H]1O ZINC000263303460 135345054 /nfs/dbraw/zinc/34/50/54/135345054.db2.gz XKIBGNOOMSKMSZ-VOAKCMCISA-N 1 3 226.364 0.981 10 0 BCAEHO CC(C)NC(=O)CCNC[C@@H]1CCC[N@H+](C)C1 ZINC000054048317 167044564 /nfs/dbraw/zinc/04/45/64/167044564.db2.gz VIIMIEBKSYLMLQ-LBPRGKRZSA-N 1 3 241.379 0.833 10 0 BCAEHO CC(C)NC(=O)CCNC[C@@H]1CCC[N@@H+](C)C1 ZINC000054048317 167044566 /nfs/dbraw/zinc/04/45/66/167044566.db2.gz VIIMIEBKSYLMLQ-LBPRGKRZSA-N 1 3 241.379 0.833 10 0 BCAEHO O[C@@H]1CCC[C@H](CN2C[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000309755210 487590937 /nfs/dbraw/zinc/59/09/37/487590937.db2.gz LIIBAGUNIMOXGI-WUHRBBMRSA-N 1 3 224.348 0.689 10 0 BCAEHO CCN1CC[C@H](N2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)C1=O ZINC000662265789 409561490 /nfs/dbraw/zinc/56/14/90/409561490.db2.gz IOOSESDSIFEJSY-BJDJZHNGSA-N 1 3 237.347 0.276 10 0 BCAEHO C[C@H]([NH3+])CC(=O)NCCN1CCCCCC1 ZINC000040768306 409825141 /nfs/dbraw/zinc/82/51/41/409825141.db2.gz NNRUKYOMJHFJLS-NSHDSACASA-N 1 3 227.352 0.716 10 0 BCAEHO CC(C)[C@H]([NH3+])CC(=O)N1CC[C@@H](N(C)C)C1 ZINC000129053317 410368471 /nfs/dbraw/zinc/36/84/71/410368471.db2.gz KQOZGVYHCXIHRG-GHMZBOCLSA-N 1 3 227.352 0.522 10 0 BCAEHO CC(C)[C@@H](C[NH3+])C(=O)N(C)[C@@H]1CCCN(C)C1 ZINC000053245199 167395143 /nfs/dbraw/zinc/39/51/43/167395143.db2.gz QEIPPBKZOVYRGJ-VXGBXAGGSA-N 1 3 241.379 0.770 10 0 BCAEHO CC(C)[C@@H]([NH3+])CC(=O)NC[C@@H](C)N(C)C ZINC000128970074 411193574 /nfs/dbraw/zinc/19/35/74/411193574.db2.gz XRJBAWGMOBNYLV-ZJUUUORDSA-N 1 3 215.341 0.426 10 0 BCAEHO CC(C)[C@@H]([NH3+])CC(=O)NC[C@H](C)N(C)C ZINC000128970489 411193729 /nfs/dbraw/zinc/19/37/29/411193729.db2.gz XRJBAWGMOBNYLV-UWVGGRQHSA-N 1 3 215.341 0.426 10 0 BCAEHO CC[C@H](C)[C@@H](N)C(=O)NC[C@@H]1CC[NH2+]C1 ZINC000309408437 411242145 /nfs/dbraw/zinc/24/21/45/411242145.db2.gz IETOCYCYPJHGPG-IVZWLZJFSA-N 1 3 213.325 0.086 10 0 BCAEHO CC(C)(C)NC(=O)CN1CCC(C)(C[NH3+])CC1 ZINC000226317860 168024830 /nfs/dbraw/zinc/02/48/30/168024830.db2.gz FAFVUTPHZSBLFX-UHFFFAOYSA-N 1 3 241.379 0.962 10 0 BCAEHO CCN1CCN(C[C@H]2CCC[C@@H]2[NH3+])CC1 ZINC000053860842 169993757 /nfs/dbraw/zinc/99/37/57/169993757.db2.gz YTLFNOIQDIXEFN-NEPJUHHUSA-N 1 3 211.353 0.751 10 0 BCAEHO CCNC(=O)CN[C@H](C)C1CC[NH+](CC)CC1 ZINC000036780325 170065321 /nfs/dbraw/zinc/06/53/21/170065321.db2.gz TYABWCXSBPVQGF-LLVKDONJSA-N 1 3 241.379 0.833 10 0 BCAEHO CC[NH2+]C[C@@H](C)C(=O)N[C@@H](C)CN1CCCC1 ZINC000061267720 170119324 /nfs/dbraw/zinc/11/93/24/170119324.db2.gz JOIJZXHCTBZHNW-NEPJUHHUSA-N 1 3 241.379 0.833 10 0 BCAEHO CC[NH2+]C[C@@]1(CN2CCC[C@@H]2CO)CCOC1 ZINC000051254977 170121059 /nfs/dbraw/zinc/12/10/59/170121059.db2.gz IJNJZOUWHWIQQJ-CHWSQXEVSA-N 1 3 242.363 0.459 10 0 BCAEHO CC[NH2+]C[C@H](C)C(=O)N[C@H]1CCCN(CC)C1 ZINC000061266913 170121553 /nfs/dbraw/zinc/12/15/53/170121553.db2.gz ZYBCBYQHTLIKHG-RYUDHWBXSA-N 1 3 241.379 0.833 10 0 BCAEHO CC[NH2+][C@@H]1CCN([C@@H]2CCCN(C)C2)C1 ZINC000040715856 170152548 /nfs/dbraw/zinc/15/25/48/170152548.db2.gz DYKWAFPZQJVGDU-VXGBXAGGSA-N 1 3 211.353 0.764 10 0 BCAEHO CCN[C@@H]1CCN([C@@H]2CC[N@@H+]3CCC[C@H]23)C1=O ZINC000049660482 170152774 /nfs/dbraw/zinc/15/27/74/170152774.db2.gz DWLLEBLXDUYOHL-IJLUTSLNSA-N 1 3 237.347 0.434 10 0 BCAEHO CCN[C@@H]1CCN([C@@H]2CC[N@H+]3CCC[C@H]23)C1=O ZINC000049660482 170152775 /nfs/dbraw/zinc/15/27/75/170152775.db2.gz DWLLEBLXDUYOHL-IJLUTSLNSA-N 1 3 237.347 0.434 10 0 BCAEHO CC[NH2+][C@H](C)CC(=O)NC[C@H]1CCCN(C)C1 ZINC000061274362 170156967 /nfs/dbraw/zinc/15/69/67/170156967.db2.gz APWXAVIZYXHQER-VXGBXAGGSA-N 1 3 241.379 0.833 10 0 BCAEHO CC[NH2+][C@H](C)C1CCN(CCOCCO)CC1 ZINC000104418736 170157049 /nfs/dbraw/zinc/15/70/49/170157049.db2.gz TZCPTLWHEDKYQE-GFCCVEGCSA-N 1 3 244.379 0.705 10 0 BCAEHO CC[NH2+][C@H]1CCN(C2CCN(C)CC2)C1=O ZINC000049648122 170166399 /nfs/dbraw/zinc/16/63/99/170166399.db2.gz OMCHMZKYNAWWDQ-NSHDSACASA-N 1 3 225.336 0.291 10 0 BCAEHO CN(C[C@H]1CCCO1)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662248467 412045936 /nfs/dbraw/zinc/04/59/36/412045936.db2.gz CGQQAVDVMAKIRS-NEPJUHHUSA-N 1 3 240.347 0.618 10 0 BCAEHO CC[C@@]1(C(=O)N2CC[C@H](N(C)C)C2)CCC[NH2+]1 ZINC000122113541 171196400 /nfs/dbraw/zinc/19/64/00/171196400.db2.gz YMMKFGHUMQPZFH-AAEUAGOBSA-N 1 3 239.363 0.681 10 0 BCAEHO CC[C@H](C(N)=O)N1CCC(C[NH2+]C(C)C)CC1 ZINC000104414643 171242650 /nfs/dbraw/zinc/24/26/50/171242650.db2.gz RDDORZODHXZAID-GFCCVEGCSA-N 1 3 241.379 0.960 10 0 BCAEHO CC[C@H](C)N1CCN(C[C@@H](O)CC[NH3+])CC1 ZINC000071534304 171319467 /nfs/dbraw/zinc/31/94/67/171319467.db2.gz UHMVEYVRMMAURJ-RYUDHWBXSA-N 1 3 229.368 0.112 10 0 BCAEHO CC[C@H](C)NC(=O)CC[NH2+]C1CCNCC1 ZINC000038041586 171322792 /nfs/dbraw/zinc/32/27/92/171322792.db2.gz BPLRXOKJTCSDNR-JTQLQIEISA-N 1 3 227.352 0.633 10 0 BCAEHO CC[C@H]([NH2+]C)C(=O)N1C[C@@H]2CCCN2C[C@H]1C ZINC000662460087 412183435 /nfs/dbraw/zinc/18/34/35/412183435.db2.gz PSZASMAIFRHLAU-WOPDTQHZSA-N 1 3 239.363 0.680 10 0 BCAEHO CCC[C@H](N)C(=O)NCC[C@@H](C)[NH+](C)C ZINC000662633652 412251616 /nfs/dbraw/zinc/25/16/16/412251616.db2.gz MZRMRTCZVHPTKU-ZJUUUORDSA-N 1 3 215.341 0.570 10 0 BCAEHO CN(C)C(=O)CCN1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000304262831 172358146 /nfs/dbraw/zinc/35/81/46/172358146.db2.gz JKNUUCJMJXXTEE-SNVBAGLBSA-N 1 3 227.352 0.524 10 0 BCAEHO CN(C)C[C@H]1CCCN1C(=O)C(C)(C)C[NH3+] ZINC000061644061 172493691 /nfs/dbraw/zinc/49/36/91/172493691.db2.gz JSRULHXWAAEQGP-SNVBAGLBSA-N 1 3 227.352 0.524 10 0 BCAEHO C[NH+]1CCC2(CC1)CC1(CCN2)OCCO1 ZINC000041247315 173001536 /nfs/dbraw/zinc/00/15/36/173001536.db2.gz YPQDNFRRBIYJLP-UHFFFAOYSA-N 1 3 226.320 0.577 10 0 BCAEHO CN1CCCN(C(=O)C[C@@H]2CCCC[NH2+]2)CC1 ZINC000020597533 173011696 /nfs/dbraw/zinc/01/16/96/173011696.db2.gz CGLCRRJDUGTDEK-LBPRGKRZSA-N 1 3 239.363 0.683 10 0 BCAEHO CN1CCCN(C(=O)C[C@H]2CCCC[NH2+]2)CC1 ZINC000020597534 173012956 /nfs/dbraw/zinc/01/29/56/173012956.db2.gz CGLCRRJDUGTDEK-GFCCVEGCSA-N 1 3 239.363 0.683 10 0 BCAEHO CN1CCCN(CC[NH2+]C2CCOCC2)CC1 ZINC000062767623 173013753 /nfs/dbraw/zinc/01/37/53/173013753.db2.gz VVVSKPMCNRRAQX-UHFFFAOYSA-N 1 3 241.379 0.393 10 0 BCAEHO CN1CCC[N@@H+](C2(CN)CCCC2)CC1 ZINC000020217732 173014760 /nfs/dbraw/zinc/01/47/60/173014760.db2.gz QUIJMWUCKSXZHY-UHFFFAOYSA-N 1 3 211.353 0.895 10 0 BCAEHO CN1CCC[N@H+](C2(CN)CCCC2)CC1 ZINC000020217732 173014761 /nfs/dbraw/zinc/01/47/61/173014761.db2.gz QUIJMWUCKSXZHY-UHFFFAOYSA-N 1 3 211.353 0.895 10 0 BCAEHO CN1CCCN(C[C@@](C)([NH3+])C2CC2)CC1 ZINC000037479190 173016528 /nfs/dbraw/zinc/01/65/28/173016528.db2.gz OKQZTUVKYIANCD-GFCCVEGCSA-N 1 3 211.353 0.751 10 0 BCAEHO CN1CCCN(Cc2cc(C[NH3+])co2)CC1 ZINC000052424283 173017658 /nfs/dbraw/zinc/01/76/58/173017658.db2.gz KUHPCRIWKHHMAV-UHFFFAOYSA-N 1 3 223.320 0.876 10 0 BCAEHO CN1CCN(C[C@H]2CCCC[C@H]2[NH3+])CC1 ZINC000058081594 173084304 /nfs/dbraw/zinc/08/43/04/173084304.db2.gz OECPXPZWNJEOIV-VXGBXAGGSA-N 1 3 211.353 0.751 10 0 BCAEHO CN1CC[C@@H](C[NH2+]C[C@H]2CCCN(C)C2)C1 ZINC000054242804 173114524 /nfs/dbraw/zinc/11/45/24/173114524.db2.gz SNDCRCCLIHNCTL-OLZOCXBDSA-N 1 3 225.380 0.870 10 0 BCAEHO CN(C1CCOCC1)[C@]1(C[NH3+])CCN(C)C1 ZINC000061990314 173136596 /nfs/dbraw/zinc/13/65/96/173136596.db2.gz KDIMWLPXYNZAST-LBPRGKRZSA-N 1 3 227.352 0.130 10 0 BCAEHO CN(C[C@H]1CC[N@H+](C)C1)CC1(O)CCC1 ZINC000336647688 173142410 /nfs/dbraw/zinc/14/24/10/173142410.db2.gz MYLASUGJYUOSBX-NSHDSACASA-N 1 3 212.337 0.785 10 0 BCAEHO CN(C[C@H]1CC[N@@H+](C)C1)CC1(O)CCC1 ZINC000336647688 173142412 /nfs/dbraw/zinc/14/24/12/173142412.db2.gz MYLASUGJYUOSBX-NSHDSACASA-N 1 3 212.337 0.785 10 0 BCAEHO CN(CC1CCOCC1)[C@@]1(C[NH3+])CCN(C)C1 ZINC000104193707 173161901 /nfs/dbraw/zinc/16/19/01/173161901.db2.gz AYTOMBOJNFEWAV-CYBMUJFWSA-N 1 3 241.379 0.378 10 0 BCAEHO C[N@@H+]1CC[C@](CN)(N2CCO[C@H]3CCC[C@@H]32)C1 ZINC000061990705 173163202 /nfs/dbraw/zinc/16/32/02/173163202.db2.gz YKGCPNGKHGISHR-RWMBFGLXSA-N 1 3 239.363 0.273 10 0 BCAEHO C[N@H+]1CC[C@](CN)(N2CCO[C@H]3CCC[C@@H]32)C1 ZINC000061990705 173163204 /nfs/dbraw/zinc/16/32/04/173163204.db2.gz YKGCPNGKHGISHR-RWMBFGLXSA-N 1 3 239.363 0.273 10 0 BCAEHO CNC(=O)[C@@H]1CCCN1[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000042391760 173298699 /nfs/dbraw/zinc/29/86/99/173298699.db2.gz WGBGXQNEIWZIKW-UTUOFQBUSA-N 1 3 239.363 0.714 10 0 BCAEHO C[NH2+]C(C)(C)C(=O)N1CCC[C@H]1CN(C)C ZINC000061644794 173317754 /nfs/dbraw/zinc/31/77/54/173317754.db2.gz HWVNHFYESYGBKM-JTQLQIEISA-N 1 3 227.352 0.537 10 0 BCAEHO C[NH2+]C(C)(C)C(=O)N(C)C1CCN(C)CC1 ZINC000061300183 173317857 /nfs/dbraw/zinc/31/78/57/173317857.db2.gz LNSJXHGNFMXGMT-UHFFFAOYSA-N 1 3 227.352 0.537 10 0 BCAEHO C[NH2+]CC(=O)N[C@H](CC(C)C)CN(C)C ZINC000037001322 173332455 /nfs/dbraw/zinc/33/24/55/173332455.db2.gz SYDOWVNBRLLHCE-SNVBAGLBSA-N 1 3 215.341 0.298 10 0 BCAEHO C[NH2+]CCC(=O)N[C@H](CC(C)C)CN(C)C ZINC000043600204 173341706 /nfs/dbraw/zinc/34/17/06/173341706.db2.gz ULSLCTQYZIZSJA-LLVKDONJSA-N 1 3 229.368 0.688 10 0 BCAEHO C[NH2+]C[C@@H]1CC[C@@H](CN2CCC(OC)CC2)O1 ZINC000052455400 173370574 /nfs/dbraw/zinc/37/05/74/173370574.db2.gz RDEYDFCDZKATEG-STQMWFEESA-N 1 3 242.363 0.864 10 0 BCAEHO C[NH2+]C[C@H](C)C(=O)N[C@H](CC(C)C)CN(C)C ZINC000092132848 173374918 /nfs/dbraw/zinc/37/49/18/173374918.db2.gz YHUHYDWBSIUNDZ-NWDGAFQWSA-N 1 3 243.395 0.934 10 0 BCAEHO C[NH2+]C[C@H]1CC[C@H](CN2CCSCC2)O1 ZINC000052443273 173382747 /nfs/dbraw/zinc/38/27/47/173382747.db2.gz OFTMCOKCHBAJBC-GHMZBOCLSA-N 1 3 230.377 0.802 10 0 BCAEHO COC1CCN(C[C@H]2CC[C@@H](C[NH3+])O2)CC1 ZINC000052455312 174028521 /nfs/dbraw/zinc/02/85/21/174028521.db2.gz MWZROIWHTLVVSW-NWDGAFQWSA-N 1 3 228.336 0.604 10 0 BCAEHO COC1CCN(C[C@H]2CC[C@H](C[NH3+])O2)CC1 ZINC000052455308 174029153 /nfs/dbraw/zinc/02/91/53/174029153.db2.gz MWZROIWHTLVVSW-VXGBXAGGSA-N 1 3 228.336 0.604 10 0 BCAEHO COCCN(C)CC[NH2+]C[C@@H]1CCCN(C)C1 ZINC000061377626 174277477 /nfs/dbraw/zinc/27/74/77/174277477.db2.gz QCJPTRPEKRRPGH-ZDUSSCGKSA-N 1 3 243.395 0.496 10 0 BCAEHO COCCN(C)CCNC[C@@H]1CCC[N@H+](C)C1 ZINC000061377626 174277479 /nfs/dbraw/zinc/27/74/79/174277479.db2.gz QCJPTRPEKRRPGH-ZDUSSCGKSA-N 1 3 243.395 0.496 10 0 BCAEHO COCCN(C)CCNC[C@@H]1CCC[N@@H+](C)C1 ZINC000061377626 174277480 /nfs/dbraw/zinc/27/74/80/174277480.db2.gz QCJPTRPEKRRPGH-ZDUSSCGKSA-N 1 3 243.395 0.496 10 0 BCAEHO COCC[N@H+](CC(C)C)C[C@@H](O)CNC(C)C ZINC000042368662 174287752 /nfs/dbraw/zinc/28/77/52/174287752.db2.gz CTYDDLUXKIGGDR-ZDUSSCGKSA-N 1 3 246.395 0.950 10 0 BCAEHO COCC[N@@H+](CC(C)C)C[C@@H](O)CNC(C)C ZINC000042368662 174287754 /nfs/dbraw/zinc/28/77/54/174287754.db2.gz CTYDDLUXKIGGDR-ZDUSSCGKSA-N 1 3 246.395 0.950 10 0 BCAEHO COCC[NH2+]C[C@@H](C)N(C)C1CCN(C)CC1 ZINC000053487049 174333649 /nfs/dbraw/zinc/33/36/49/174333649.db2.gz AGOUVLJTZYCNMF-GFCCVEGCSA-N 1 3 243.395 0.637 10 0 BCAEHO COCCOCCC[NH2+]C1CCNCC1 ZINC000038040764 174350047 /nfs/dbraw/zinc/35/00/47/174350047.db2.gz NXVBSTQSDIRJKN-UHFFFAOYSA-N 1 3 216.325 0.381 10 0 BCAEHO COCCOCCCNC1CC[NH2+]CC1 ZINC000038040764 174350049 /nfs/dbraw/zinc/35/00/49/174350049.db2.gz NXVBSTQSDIRJKN-UHFFFAOYSA-N 1 3 216.325 0.381 10 0 BCAEHO CC(C)[C@H]([NH3+])CC(=O)NC[C@@H](C)N(C)C1CC1 ZINC000225813736 487629730 /nfs/dbraw/zinc/62/97/30/487629730.db2.gz VORAGBHGQQCSET-ZYHUDNBSSA-N 1 3 241.379 0.959 10 0 BCAEHO C[C@@H]1CCC[N@@H+]1C1(CN)CCN(C)CC1 ZINC000037910343 176107628 /nfs/dbraw/zinc/10/76/28/176107628.db2.gz WHAJIFVAYMTXIZ-LLVKDONJSA-N 1 3 211.353 0.894 10 0 BCAEHO C[C@@H]1CCC[N@H+]1C1(CN)CCN(C)CC1 ZINC000037910343 176107630 /nfs/dbraw/zinc/10/76/30/176107630.db2.gz WHAJIFVAYMTXIZ-LLVKDONJSA-N 1 3 211.353 0.894 10 0 BCAEHO C[C@@H]1CC[C@H](C[NH3+])CN1CCn1cccn1 ZINC000042427515 176224676 /nfs/dbraw/zinc/22/46/76/176224676.db2.gz LCBAWUJQLIEBSO-VXGBXAGGSA-N 1 3 222.336 0.942 10 0 BCAEHO C[C@@H]1C[NH2+]C[C@H]1C(=O)N1CCC[C@@H]1CN(C)C ZINC000111272604 176329991 /nfs/dbraw/zinc/32/99/91/176329991.db2.gz QPJQBQNVUAKLPW-IJLUTSLNSA-N 1 3 239.363 0.395 10 0 BCAEHO C[C@@H]1COCCN1[C@]1(CN)CC[N@@H+](C2CC2)C1 ZINC000061990256 176336968 /nfs/dbraw/zinc/33/69/68/176336968.db2.gz BSXBGMFGVJMSJB-YPMHNXCESA-N 1 3 239.363 0.273 10 0 BCAEHO C[C@@H]1COCCN1[C@]1(CN)CC[N@H+](C2CC2)C1 ZINC000061990256 176336969 /nfs/dbraw/zinc/33/69/69/176336969.db2.gz BSXBGMFGVJMSJB-YPMHNXCESA-N 1 3 239.363 0.273 10 0 BCAEHO C[C@H]1CCCCN1CC(=O)N1CCC[NH2+]CC1 ZINC000042354431 177073898 /nfs/dbraw/zinc/07/38/98/177073898.db2.gz RVISGEZHCNXGRM-LBPRGKRZSA-N 1 3 239.363 0.683 10 0 BCAEHO C[C@@H]1CO[C@@H](C)CN1C1(C[NH3+])CCN(C)CC1 ZINC000035783553 177241418 /nfs/dbraw/zinc/24/14/18/177241418.db2.gz UKUNPAYQAZGTIS-NEPJUHHUSA-N 1 3 241.379 0.519 10 0 BCAEHO C[C@H]1CN(CCOCC[NH3+])CCS1 ZINC000123511921 177253132 /nfs/dbraw/zinc/25/31/32/177253132.db2.gz NNUBDRHUIUQLHG-VIFPVBQESA-N 1 3 204.339 0.399 10 0 BCAEHO CC[C@@H](C)[C@@H](N)C(=O)NCC[NH2+]C1CC1 ZINC000236971458 487637848 /nfs/dbraw/zinc/63/78/48/487637848.db2.gz DQUMDWBHQASHRT-PSASIEDQSA-N 1 3 213.325 0.228 10 0 BCAEHO C[C@H]1CN(C[C@]2(C[NH3+])CCOC2)CCCO1 ZINC000061934210 177258864 /nfs/dbraw/zinc/25/88/64/177258864.db2.gz OJGDZOGWHLLSCA-NWDGAFQWSA-N 1 3 228.336 0.463 10 0 BCAEHO C[C@H]1C[N@H+](C[C@]2(CN)CCOC2)CCCO1 ZINC000061934210 177258866 /nfs/dbraw/zinc/25/88/66/177258866.db2.gz OJGDZOGWHLLSCA-NWDGAFQWSA-N 1 3 228.336 0.463 10 0 BCAEHO C[C@H]1C[N@@H+](C[C@]2(CN)CCOC2)CCCO1 ZINC000061934210 177258867 /nfs/dbraw/zinc/25/88/67/177258867.db2.gz OJGDZOGWHLLSCA-NWDGAFQWSA-N 1 3 228.336 0.463 10 0 BCAEHO C[C@H]1C[NH2+]C[C@H](C)CN(C[C@@H]2COCCO2)C1 ZINC000049666996 177285825 /nfs/dbraw/zinc/28/58/25/177285825.db2.gz PEJMGVBPHHJQDM-RWMBFGLXSA-N 1 3 242.363 0.579 10 0 BCAEHO C[C@H]1C[C@H](C(=O)N[C@@H]2CCN(C)C2)CC[C@@H]1[NH3+] ZINC000055139805 177354236 /nfs/dbraw/zinc/35/42/36/177354236.db2.gz BUTXQYYCSORYKO-QCNOEVLYSA-N 1 3 239.363 0.570 10 0 BCAEHO C[C@H](N[C@H]1COCC1(C)C)[C@H]1CC[NH2+]C1 ZINC000400343793 226341453 /nfs/dbraw/zinc/34/14/53/226341453.db2.gz GLJIVBRDXPDMOE-DCAQKATOSA-N 1 3 212.337 0.999 10 0 BCAEHO C[C@H](N[C@@H]1C[C@H](O)C1(C)C)[C@H]1CC[NH2+]C1 ZINC000400415351 226342995 /nfs/dbraw/zinc/34/29/95/226342995.db2.gz VCMBDNCKMAVVSY-MMWGEVLESA-N 1 3 212.337 0.733 10 0 BCAEHO COC[C@H](N[C@H](C)[C@H]1CC[NH2+]C1)C1CC1 ZINC000400430354 226343415 /nfs/dbraw/zinc/34/34/15/226343415.db2.gz ZYPXVRMBPCERNO-USWWRNFRSA-N 1 3 212.337 0.999 10 0 BCAEHO C[NH2+][C@@H](C)CNC(=O)[C@H](N)CC(C)C ZINC000309151338 487668836 /nfs/dbraw/zinc/66/88/36/487668836.db2.gz WKCSHQZPYPFRLE-DTWKUNHWSA-N 1 3 201.314 0.084 10 0 BCAEHO CCN1CCC[C@H](NC(=O)CC(C)(C)[NH3+])C1 ZINC000082772218 487730375 /nfs/dbraw/zinc/73/03/75/487730375.db2.gz NMEGRHLRJBOUBY-JTQLQIEISA-N 1 3 227.352 0.714 10 0 BCAEHO C[C@H](CNC(=O)[C@@H]1CCC[C@H]1C[NH3+])N(C)C ZINC000251121053 487749239 /nfs/dbraw/zinc/74/92/39/487749239.db2.gz RAAZQDULUPTMMR-OUAUKWLOSA-N 1 3 227.352 0.428 10 0 BCAEHO CC(C)[C@H]([NH3+])CC(=O)N1CCN2CCC[C@H]2C1 ZINC000251267329 487752022 /nfs/dbraw/zinc/75/20/22/487752022.db2.gz BAYOOJPYOUYMFH-NWDGAFQWSA-N 1 3 239.363 0.666 10 0 BCAEHO CC[C@H](C)[C@@H](N)C(=O)NC[C@H](C)[NH+]1CCCC1 ZINC000252023149 487813358 /nfs/dbraw/zinc/81/33/58/487813358.db2.gz XTIRPXIZIBYAJI-SDDRHHMPSA-N 1 3 241.379 0.960 10 0 BCAEHO CC[C@H](C)[C@@H](N)C(=O)N1CC[C@@H](C[NH2+]C)C1 ZINC000252656328 487828317 /nfs/dbraw/zinc/82/83/17/487828317.db2.gz CTGLHFZRBCGONR-GARJFASQSA-N 1 3 227.352 0.428 10 0 BCAEHO CC(C)C[C@@H](N)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000309452411 487970770 /nfs/dbraw/zinc/97/07/70/487970770.db2.gz MWLONJVTEHMLLS-ZJUUUORDSA-N 1 3 213.325 0.213 10 0 BCAEHO CC(C)C[C@@H](N)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000309452409 487970423 /nfs/dbraw/zinc/97/04/23/487970423.db2.gz MWLONJVTEHMLLS-NXEZZACHSA-N 1 3 213.325 0.213 10 0 BCAEHO CN[C@H](C)C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000655448385 488036775 /nfs/dbraw/zinc/03/67/75/488036775.db2.gz HEXLBSBSFQQUEN-OUAUKWLOSA-N 1 3 227.352 0.583 10 0 BCAEHO CCCN1CC[C@@H](NC2CC[NH2+]CC2)C1 ZINC000389374163 488092584 /nfs/dbraw/zinc/09/25/84/488092584.db2.gz MBZDTJDZESVDBN-GFCCVEGCSA-N 1 3 211.353 0.812 10 0 BCAEHO CCC[C@@H](N)C(=O)N1CCC(C[NH3+])CC1 ZINC000236902845 488098183 /nfs/dbraw/zinc/09/81/83/488098183.db2.gz QAQIYVTZOQEZJD-SNVBAGLBSA-N 1 3 213.325 0.311 10 0 BCAEHO CCN1CCC[C@H]1CN(C)C(=O)C[NH2+]C(C)C ZINC000092630023 488099403 /nfs/dbraw/zinc/09/94/03/488099403.db2.gz RAUJWCVDCZKSAQ-LBPRGKRZSA-N 1 3 241.379 0.927 10 0 BCAEHO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)CNC(C)C ZINC000092630023 488099406 /nfs/dbraw/zinc/09/94/06/488099406.db2.gz RAUJWCVDCZKSAQ-LBPRGKRZSA-N 1 3 241.379 0.927 10 0 BCAEHO CC[N@H+]1CCC[C@H]1CN(C)C(=O)CNC(C)C ZINC000092630023 488099409 /nfs/dbraw/zinc/09/94/09/488099409.db2.gz RAUJWCVDCZKSAQ-LBPRGKRZSA-N 1 3 241.379 0.927 10 0 BCAEHO CCCN1CC[C@H](NC(=O)[C@H]2CC[C@@H]([NH3+])C2)C1 ZINC000389636187 488103747 /nfs/dbraw/zinc/10/37/47/488103747.db2.gz JJHPOVSQZTYNRM-TUAOUCFPSA-N 1 3 239.363 0.714 10 0 BCAEHO CC(C)[NH2+]CC(=O)N1CC[C@@H](N(C)C)C1 ZINC000062972422 487505328 /nfs/dbraw/zinc/50/53/28/487505328.db2.gz DLHUSRIKXURKDU-SNVBAGLBSA-N 1 3 213.325 0.147 10 0 BCAEHO C[C@@H]([NH2+][C@@H]1CCCNC1=O)C1CCN(C)CC1 ZINC000050394877 487510159 /nfs/dbraw/zinc/51/01/59/487510159.db2.gz VLJZVRAIATWXCW-ZYHUDNBSSA-N 1 3 239.363 0.585 10 0 BCAEHO CC(C)C[C@@H](CN(C)C)NC(=O)COCC[NH3+] ZINC000093230659 488144203 /nfs/dbraw/zinc/14/42/03/488144203.db2.gz HJSPHQNXLMDUOD-NSHDSACASA-N 1 3 245.367 0.054 10 0 BCAEHO C[C@H](NCCN1CC=CCC1)[C@@H]1CC[NH2+]C1 ZINC000400464282 533857080 /nfs/dbraw/zinc/85/70/80/533857080.db2.gz SLRYDIYLQXXCGW-QWHCGFSZSA-N 1 3 223.364 0.836 10 0 BCAEHO CCC[C@H](N)C(=O)N(CCC)[C@H]1CC[NH2+]C1 ZINC000178408123 535675393 /nfs/dbraw/zinc/67/53/93/535675393.db2.gz RUUSKMVQMLKYSX-QWRGUYRKSA-N 1 3 227.352 0.714 10 0 BCAEHO C[NH2+][C@H](C)CNC(=O)CN1[C@@H](C)CC[C@@H]1C ZINC000261702585 536392212 /nfs/dbraw/zinc/39/22/12/536392212.db2.gz JIEOKFSCOMJNCE-VWYCJHECSA-N 1 3 227.352 0.583 10 0 BCAEHO CCC[C@H](N)C(=O)N1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000262454268 535676410 /nfs/dbraw/zinc/67/64/10/535676410.db2.gz SOQRHZFGSBTSAK-AXFHLTTASA-N 1 3 227.352 0.700 10 0 BCAEHO CCC[C@H](N)C(=O)N[C@H](C[NH3+])CC(C)C ZINC000261556271 535680196 /nfs/dbraw/zinc/68/01/96/535680196.db2.gz VWXZLMCUEHGTIN-UWVGGRQHSA-N 1 3 215.341 0.603 10 0 BCAEHO CN(C)C[C@@H]1CN(C[C@@]2(C)CC[NH2+]C2)CCO1 ZINC000261884119 535948677 /nfs/dbraw/zinc/94/86/77/535948677.db2.gz RNGCDWDQZLIQEW-OLZOCXBDSA-N 1 3 241.379 0.248 10 0 BCAEHO CN1CCC[C@@H]1CNC(=O)[C@@H]1CCC[C@H]1[NH3+] ZINC000261533935 536374258 /nfs/dbraw/zinc/37/42/58/536374258.db2.gz LULKURQZZRDSQR-GMTAPVOTSA-N 1 3 225.336 0.324 10 0 BCAEHO CCn1cc([C@H]2CNC[C@H](C[NH3+])C2)cn1 ZINC000757234649 582563419 /nfs/dbraw/zinc/56/34/19/582563419.db2.gz LAVIZYNQETYLRB-VHSXEESVSA-N 1 3 208.309 0.555 10 0 BCAEHO CCn1cc([C@H]2C[NH2+]C[C@H](CN)C2)cn1 ZINC000757234649 582563421 /nfs/dbraw/zinc/56/34/21/582563421.db2.gz LAVIZYNQETYLRB-VHSXEESVSA-N 1 3 208.309 0.555 10 0 BCAEHO COC(=O)[C@@H]1CCN[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000757206693 586437265 /nfs/dbraw/zinc/43/72/65/586437265.db2.gz AJIBQGJYXOXPND-GMTAPVOTSA-N 1 3 226.320 0.527 10 0 BCAEHO Cc1ccc(N)cc1[C@H]1CNC[C@H]([NH3+])C1 ZINC000757237576 586443577 /nfs/dbraw/zinc/44/35/77/586443577.db2.gz QGEZXEFANQUHAQ-MWLCHTKSSA-N 1 3 205.305 0.981 10 0 BCAEHO CCN1CCC[C@H](NC(=O)C[C@H]([NH3+])C2CC2)C1 ZINC000123884262 589845905 /nfs/dbraw/zinc/84/59/05/589845905.db2.gz BBPIKBRIIUXGFV-RYUDHWBXSA-N 1 3 239.363 0.714 10 0 BCAEHO CN(C)[C@H]1CCN(C(=O)C[C@@H]([NH3+])C2CC2)C1 ZINC000129875327 591414680 /nfs/dbraw/zinc/41/46/80/591414680.db2.gz DPLJNAZCGOWXPJ-WDEREUQCSA-N 1 3 225.336 0.276 10 0 BCAEHO CC[NH2+]CC(=O)N[C@H]1CCCN(CC)C1 ZINC000044651164 631819314 /nfs/dbraw/zinc/81/93/14/631819314.db2.gz WYTYNXCUTDQCJA-JTQLQIEISA-N 1 3 213.325 0.196 10 0 BCAEHO [NH3+][C@@H]1CC[C@H](C(=O)N[C@H]2CCN(C3CC3)C2)C1 ZINC000251278429 632544877 /nfs/dbraw/zinc/54/48/77/632544877.db2.gz MMLXWUOOOPBODM-AXFHLTTASA-N 1 3 237.347 0.467 10 0 BCAEHO CCCCOC[C@@H](O)CN1CC[C@](C)(C[NH3+])C1 ZINC000310276441 632713923 /nfs/dbraw/zinc/71/39/23/632713923.db2.gz JUMOCKLTOKTSGW-QWHCGFSZSA-N 1 3 244.379 0.835 10 0 BCAEHO CCC[C@H](N)C(=O)NC[C@@H](C)[NH+](CC)CC ZINC000236865065 634201566 /nfs/dbraw/zinc/20/15/66/634201566.db2.gz LRWYLELEYHSSTD-MNOVXSKESA-N 1 3 229.368 0.960 10 0 BCAEHO CCC[C@H](N)C(=O)N1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000236802856 635261128 /nfs/dbraw/zinc/26/11/28/635261128.db2.gz SOQRHZFGSBTSAK-MXWKQRLJSA-N 1 3 227.352 0.700 10 0 BCAEHO CC(C)OC[C@@H](O)CN1CC[C@H](C[NH3+])C1 ZINC000069660960 642893528 /nfs/dbraw/zinc/89/35/28/642893528.db2.gz KKOWWNGBLGCSNA-MNOVXSKESA-N 1 3 216.325 0.053 10 0 BCAEHO CC(C)N(C)CC(=O)N[C@H]1CCC[NH2+][C@H]1C ZINC000193640725 644265146 /nfs/dbraw/zinc/26/51/46/644265146.db2.gz CVDXLALQVIQIDS-QWRGUYRKSA-N 1 3 227.352 0.583 10 0 BCAEHO CCN1CCC[C@H](NC(=O)C[C@@H]2CC[NH2+]C2)C1 ZINC000089746353 644563914 /nfs/dbraw/zinc/56/39/14/644563914.db2.gz JZBUXOJSWLKEIF-RYUDHWBXSA-N 1 3 239.363 0.587 10 0 BCAEHO CCC[C@H](N)C(=O)N[C@H]1CCC[NH2+][C@H]1C ZINC000248894990 644704277 /nfs/dbraw/zinc/70/42/77/644704277.db2.gz XFAXHGSYCJOJHR-GUBZILKMSA-N 1 3 213.325 0.371 10 0 BCAEHO C[C@H]1CN(c2ccncc2CO)C[C@H]1[NH+](C)C ZINC000251752443 644820221 /nfs/dbraw/zinc/82/02/21/644820221.db2.gz LKDHAPISNFVFEH-GXFFZTMASA-N 1 3 235.331 0.960 10 0 BCAEHO CC(C)OC[C@H](O)CN1CC[C@H]([C@H](C)[NH3+])C1 ZINC000252782857 644907029 /nfs/dbraw/zinc/90/70/29/644907029.db2.gz NOWWZHFKOCHRCL-SDDRHHMPSA-N 1 3 230.352 0.441 10 0 BCAEHO CC(C)OC[C@H](O)CN1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000253194698 644942897 /nfs/dbraw/zinc/94/28/97/644942897.db2.gz QNBLOKYTRNKZCP-YNEHKIRRSA-N 1 3 244.379 0.689 10 0 BCAEHO C[C@@H]1CN(C[C@@H](O)C[NH+]2CCCC2)C[C@H]1CO ZINC000708560367 712212488 /nfs/dbraw/zinc/21/24/88/712212488.db2.gz ZCQLPZFKSUEZHZ-AGIUHOORSA-N 1 3 242.363 0.003 10 0 BCAEHO C(N[C@H]1CCC[NH2+]CC1)[C@@H]1C[C@@H]2COC[C@@H]2O1 ZINC000724543809 711588257 /nfs/dbraw/zinc/58/82/57/711588257.db2.gz HRLDLHXGXRLZQV-VOAKCMCISA-N 1 3 240.347 0.522 10 0 BCAEHO CC(C)OC[C@H](O)CN1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000708893268 712202680 /nfs/dbraw/zinc/20/26/80/712202680.db2.gz JNNKIZSLIPNYKR-SDDRHHMPSA-N 1 3 230.352 0.299 10 0 BCAEHO CCC[C@H](N)C(=O)N1CCC([NH+](C)C)CC1 ZINC000036873422 712506854 /nfs/dbraw/zinc/50/68/54/712506854.db2.gz PODPCKKOMRESMW-NSHDSACASA-N 1 3 227.352 0.666 10 0 BCAEHO NC(=O)C1CC(N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000716682723 712569773 /nfs/dbraw/zinc/56/97/73/712569773.db2.gz DRVICHOOIYLWGY-POSLAHMBSA-N 1 3 237.347 0.467 10 0 BCAEHO NC(=O)C1CC(N[C@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000716682723 712569774 /nfs/dbraw/zinc/56/97/74/712569774.db2.gz DRVICHOOIYLWGY-POSLAHMBSA-N 1 3 237.347 0.467 10 0 BCAEHO NC(=O)C1CC(N[C@H]2C[C@@H]([NH3+])C23CCC3)C1 ZINC000716707933 712570342 /nfs/dbraw/zinc/57/03/42/712570342.db2.gz WMWXJFBXIFYCCR-BMNUFHGDSA-N 1 3 223.320 0.110 10 0 BCAEHO C[C@H](CNC(=O)[C@H]1CCC[NH2+]1)N1CCCCC1 ZINC000038029419 712800303 /nfs/dbraw/zinc/80/03/03/712800303.db2.gz FTHUADGWMBLXDA-VXGBXAGGSA-N 1 3 239.363 0.729 10 0 BCAEHO C[C@@H](CCCC[NH3+])N[C@@H](C)c1cn(C)nn1 ZINC000720585466 712854660 /nfs/dbraw/zinc/85/46/60/712854660.db2.gz XQMKIYSVPKQQHI-UWVGGRQHSA-N 1 3 225.340 0.983 10 0 BCAEHO C[C@@H](O)C1CCN(C[C@@H]2C[NH2+]C[C@H]2C)CC1 ZINC000721047598 712888448 /nfs/dbraw/zinc/88/84/48/712888448.db2.gz LCWNEPJSFGVCOO-WZRBSPASSA-N 1 3 226.364 0.935 10 0 BCAEHO CN[C@H](C)C(=O)NC[C@@H](C)C[NH+]1CCCC1 ZINC000062076637 349437186 /nfs/dbraw/zinc/43/71/86/349437186.db2.gz SICJGYHVZPDTTQ-GHMZBOCLSA-N 1 3 227.352 0.442 10 0 BCAEHO CN[C@H](C)C(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC000062076636 349437683 /nfs/dbraw/zinc/43/76/83/349437683.db2.gz SICJGYHVZPDTTQ-WDEREUQCSA-N 1 3 227.352 0.442 10 0 BCAEHO C[NH2+]CCCC(=O)N1CC[C@@H](N(C)C)C1 ZINC000062972428 349502931 /nfs/dbraw/zinc/50/29/31/349502931.db2.gz NDHDLGSFSYVPDF-SNVBAGLBSA-N 1 3 213.325 0.149 10 0 BCAEHO C[NH2+][C@H](C)C(=O)N1CC[C@H](N2CCCC2)C1 ZINC000062973244 349503254 /nfs/dbraw/zinc/50/32/54/349503254.db2.gz OOMBHGGLDLPKBD-MNOVXSKESA-N 1 3 225.336 0.291 10 0 BCAEHO C[NH2+][C@H](C)C(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000062973594 349503590 /nfs/dbraw/zinc/50/35/90/349503590.db2.gz KVJZQFDVRQZVMI-NEPJUHHUSA-N 1 3 239.363 0.681 10 0 BCAEHO CC[C@@H](C)[C@@H](N)C(=O)NC1CC[NH2+]CC1 ZINC000381232576 398238836 /nfs/dbraw/zinc/23/88/36/398238836.db2.gz LDBUDDWPYKSNOU-PSASIEDQSA-N 1 3 213.325 0.228 10 0 BCAEHO NC1(C(=O)N[C@@H](C[NH3+])C2CC2)CCCC1 ZINC000381256836 398244414 /nfs/dbraw/zinc/24/44/14/398244414.db2.gz QYHJSHFUWJJFBP-VIFPVBQESA-N 1 3 211.309 0.111 10 0 BCAEHO C[C@H](CNC[C@H]1C[NH2+]C[C@H]1O)C(C)(C)C ZINC000381555025 398254126 /nfs/dbraw/zinc/25/41/26/398254126.db2.gz OKGZCEWXBRVKIZ-OUAUKWLOSA-N 1 3 214.353 0.839 10 0 BCAEHO C[C@H](C[NH2+]C[C@H]1CNC[C@H]1O)C(C)(C)C ZINC000381555025 398254130 /nfs/dbraw/zinc/25/41/30/398254130.db2.gz OKGZCEWXBRVKIZ-OUAUKWLOSA-N 1 3 214.353 0.839 10 0 BCAEHO CCC[C@](C)(N)C(=O)NC[C@H]1CC[NH2+]C1 ZINC000381491966 398259828 /nfs/dbraw/zinc/25/98/28/398259828.db2.gz YGFBMPKSEBCVNW-ONGXEEELSA-N 1 3 213.325 0.230 10 0 BCAEHO COC[C@@H](C)N1CCC[NH2+]C[C@@H](C)C1 ZINC000219624616 342881239 /nfs/dbraw/zinc/88/12/39/342881239.db2.gz HUPGQZOUQWWFFH-GHMZBOCLSA-N 1 3 200.326 0.953 10 0 BCAEHO CCC[C@H](N)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000322409550 488186199 /nfs/dbraw/zinc/18/61/99/488186199.db2.gz YKOLYSJVWUTLMK-YATPEIPISA-N 1 3 239.363 0.855 10 0 BCAEHO CCC[C@H](N)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000322409550 488186202 /nfs/dbraw/zinc/18/62/02/488186202.db2.gz YKOLYSJVWUTLMK-YATPEIPISA-N 1 3 239.363 0.855 10 0 BCAEHO CCC[C@@H](N)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000322409549 488186227 /nfs/dbraw/zinc/18/62/27/488186227.db2.gz YKOLYSJVWUTLMK-FGNRJIRKSA-N 1 3 239.363 0.855 10 0 BCAEHO CCC[C@@H](N)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000322409549 488186229 /nfs/dbraw/zinc/18/62/29/488186229.db2.gz YKOLYSJVWUTLMK-FGNRJIRKSA-N 1 3 239.363 0.855 10 0 BCAEHO CCC[C@H](N)C(=O)NC[C@H]1CC[N@H+](C)C1 ZINC000037484918 342938074 /nfs/dbraw/zinc/93/80/74/342938074.db2.gz HGNHTVFUUXBXAE-ZJUUUORDSA-N 1 3 213.325 0.182 10 0 BCAEHO CCC[C@H](N)C(=O)NC[C@H]1CC[N@@H+](C)C1 ZINC000037484918 342938076 /nfs/dbraw/zinc/93/80/76/342938076.db2.gz HGNHTVFUUXBXAE-ZJUUUORDSA-N 1 3 213.325 0.182 10 0 BCAEHO CCC[C@H](N)C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000236876945 343113121 /nfs/dbraw/zinc/11/31/21/343113121.db2.gz RORXKMAGFTWYFA-UWVGGRQHSA-N 1 3 213.325 0.230 10 0 BCAEHO CCC[C@H](N)C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000236870973 343113190 /nfs/dbraw/zinc/11/31/90/343113190.db2.gz RORXKMAGFTWYFA-ZJUUUORDSA-N 1 3 213.325 0.230 10 0 BCAEHO CN[C@H](C)C(=O)NCCC1CC[NH+](C)CC1 ZINC000125166579 343166104 /nfs/dbraw/zinc/16/61/04/343166104.db2.gz XCZRFLSJECLGJC-SNVBAGLBSA-N 1 3 227.352 0.442 10 0 BCAEHO C[C@H](CNC(=O)[C@@H]1CC[C@H]([NH3+])C1)N1CCCC1 ZINC000161048556 343204030 /nfs/dbraw/zinc/20/40/30/343204030.db2.gz HFCLLZWKEAXCSJ-UTUOFQBUSA-N 1 3 239.363 0.714 10 0 BCAEHO CC1(O)CCN([C@@H]2CCC[NH2+]CC2)CC1 ZINC000168812885 343210590 /nfs/dbraw/zinc/21/05/90/343210590.db2.gz XDSBXZKKPUODQS-LLVKDONJSA-N 1 3 212.337 0.975 10 0 BCAEHO CC1(O)CC[NH+]([C@@H]2CCCNCC2)CC1 ZINC000168812885 343210591 /nfs/dbraw/zinc/21/05/91/343210591.db2.gz XDSBXZKKPUODQS-LLVKDONJSA-N 1 3 212.337 0.975 10 0 BCAEHO C[C@H]1CN(CCc2ccnn2C)C[C@H]1C[NH3+] ZINC000634688258 343246453 /nfs/dbraw/zinc/24/64/53/343246453.db2.gz NGNWUBDIBMRLQA-WDEREUQCSA-N 1 3 222.336 0.489 10 0 BCAEHO CCC[C@H](N)C(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000044538920 343506448 /nfs/dbraw/zinc/50/64/48/343506448.db2.gz BEPOJIBMASMKHK-QWRGUYRKSA-N 1 3 227.352 0.572 10 0 BCAEHO CCC[C@H](N)C(=O)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000044538920 343506451 /nfs/dbraw/zinc/50/64/51/343506451.db2.gz BEPOJIBMASMKHK-QWRGUYRKSA-N 1 3 227.352 0.572 10 0 BCAEHO CC[C@H]1CN([C@]2(C[NH3+])CCN(C)C2)CCN1C ZINC000104132106 187292173 /nfs/dbraw/zinc/29/21/73/187292173.db2.gz XBEFDZCJLZPMNH-STQMWFEESA-N 1 3 240.395 0.045 10 0 BCAEHO CN(C1CC[NH2+]CC1)[C@@H]1CCCN(C)C1 ZINC000053245406 187303843 /nfs/dbraw/zinc/30/38/43/187303843.db2.gz KVQAEIXDYZAVEB-GFCCVEGCSA-N 1 3 211.353 0.764 10 0 BCAEHO C[C@H](N)C(=O)N1CC[C@@]2(CC[C@H]([NH3+])C2)C1 ZINC000095088896 346025035 /nfs/dbraw/zinc/02/50/35/346025035.db2.gz LJZPIHKVFRNITN-ATZCPNFKSA-N 1 3 211.309 0.064 10 0 BCAEHO Cc1cccc(=O)n1CC[NH2+]CCCN(C)C ZINC000053534387 179003132 /nfs/dbraw/zinc/00/31/32/179003132.db2.gz PRZDDIYEVVCBKP-UHFFFAOYSA-N 1 3 237.347 0.698 10 0 BCAEHO c1c([C@@H]2CCCN2)nnn1C[C@@H]1CCC[NH2+]1 ZINC000725241170 537976861 /nfs/dbraw/zinc/97/68/61/537976861.db2.gz ARXOVRIIOAPXTJ-UWVGGRQHSA-N 1 3 221.308 0.455 10 0 BCAEHO C[C@@H]1CCN(C[C@@H]2CCC[NH2+]C2)C[C@H]1CO ZINC000622005008 370656115 /nfs/dbraw/zinc/65/61/15/370656115.db2.gz XQSIIECZLQIWNZ-UPJWGTAASA-N 1 3 226.364 0.936 10 0 BCAEHO C[C@@H]1CC[N@H+](C[C@@H]2CCCNC2)C[C@H]1CO ZINC000622005008 370656120 /nfs/dbraw/zinc/65/61/20/370656120.db2.gz XQSIIECZLQIWNZ-UPJWGTAASA-N 1 3 226.364 0.936 10 0 BCAEHO C[C@@H]1CC[N@@H+](C[C@@H]2CCCNC2)C[C@H]1CO ZINC000622005008 370656127 /nfs/dbraw/zinc/65/61/27/370656127.db2.gz XQSIIECZLQIWNZ-UPJWGTAASA-N 1 3 226.364 0.936 10 0 BCAEHO C[C@@H]1C[NH2+]C[C@@]12CN(CC1CC1)CC[C@H]2O ZINC000725246213 538005010 /nfs/dbraw/zinc/00/50/10/538005010.db2.gz RKNNVQXQMNJFJY-RAIGVLPGSA-N 1 3 224.348 0.689 10 0 BCAEHO CN[C@H](C)C(=O)N[C@H](C)CC[NH+](C)C ZINC000054076650 348879545 /nfs/dbraw/zinc/87/95/45/348879545.db2.gz IBHYTXWPKVCYTA-RKDXNWHRSA-N 1 3 201.314 0.051 10 0 BCAEHO CN1CCC[C@H](CNC(=O)[C@H]2CC[C@H]([NH3+])C2)C1 ZINC000250552764 349174987 /nfs/dbraw/zinc/17/49/87/349174987.db2.gz ANOQWTQHSQDAED-WOPDTQHZSA-N 1 3 239.363 0.572 10 0 BCAEHO [NH3+][C@H]1CC[C@H](C(=O)Nc2ccnn2C2CNC2)C1 ZINC000725258003 538071121 /nfs/dbraw/zinc/07/11/21/538071121.db2.gz CQBGRPIMMSUKCW-IUCAKERBSA-N 1 3 249.318 0.093 10 0 BCAEHO O=C(Nc1ccnn1C1C[NH2+]C1)[C@H]1CCCCN1 ZINC000725258579 538076619 /nfs/dbraw/zinc/07/66/19/538076619.db2.gz UAUCRMMOPISWRO-SNVBAGLBSA-N 1 3 249.318 0.108 10 0 BCAEHO O=C(Nc1ccnn1C1C[NH2+]C1)[C@@H]1CCCCN1 ZINC000725258578 538076690 /nfs/dbraw/zinc/07/66/90/538076690.db2.gz UAUCRMMOPISWRO-JTQLQIEISA-N 1 3 249.318 0.108 10 0 BCAEHO Cc1nccn1CCN(C)C1CC[NH2+]CC1 ZINC000049331235 180248378 /nfs/dbraw/zinc/24/83/78/180248378.db2.gz YVDFVQVDLHBLGM-UHFFFAOYSA-N 1 3 222.336 0.875 10 0 BCAEHO Cc1nccn1CC[N@@H+](C)C1CCNCC1 ZINC000049331235 180248379 /nfs/dbraw/zinc/24/83/79/180248379.db2.gz YVDFVQVDLHBLGM-UHFFFAOYSA-N 1 3 222.336 0.875 10 0 BCAEHO Cc1nccn1CC[N@H+](C)C1CCNCC1 ZINC000049331235 180248383 /nfs/dbraw/zinc/24/83/83/180248383.db2.gz YVDFVQVDLHBLGM-UHFFFAOYSA-N 1 3 222.336 0.875 10 0 BCAEHO N[C@H](CC1CC1)C(=O)Nc1ccnn1C1C[NH2+]C1 ZINC000725258799 538077409 /nfs/dbraw/zinc/07/74/09/538077409.db2.gz BHUXCZXGUNAMRW-SNVBAGLBSA-N 1 3 249.318 0.093 10 0 BCAEHO C[C@H]1CN(c2cc3c(nn2)CCN(C)C3)CC[NH2+]1 ZINC000725264879 538092986 /nfs/dbraw/zinc/09/29/86/538092986.db2.gz PULVDQQICBZNSO-JTQLQIEISA-N 1 3 247.346 0.263 10 0 BCAEHO C[C@@H]1C[NH2+]C[C@H]1C(=O)N[C@@H]1CCN(C)[C@@H](C)C1 ZINC000226868970 350461769 /nfs/dbraw/zinc/46/17/69/350461769.db2.gz OXQFWAQTUDMMPG-WRWGMCAJSA-N 1 3 239.363 0.441 10 0 BCAEHO CCCC[C@H](C)NC[C@@H]1C[NH2+]C[C@@H]1O ZINC000336651803 350579621 /nfs/dbraw/zinc/57/96/21/350579621.db2.gz XIAMPGRVMOAEAA-DCAQKATOSA-N 1 3 200.326 0.735 10 0 BCAEHO CCN(C(=O)CNC)[C@@H]1CCC[NH2+]CC1 ZINC000309500974 350615143 /nfs/dbraw/zinc/61/51/43/350615143.db2.gz LOKORQXCIJTZKE-SNVBAGLBSA-N 1 3 213.325 0.196 10 0 BCAEHO NCC[N@@H+]1CCCC[C@H](c2ncc[nH]2)C1 ZINC000616604467 350793204 /nfs/dbraw/zinc/79/32/04/350793204.db2.gz PRAKFAKRTFAZEF-JTQLQIEISA-N 1 3 208.309 0.938 10 0 BCAEHO NCC[N@H+]1CCCC[C@H](c2ncc[nH]2)C1 ZINC000616604467 350793205 /nfs/dbraw/zinc/79/32/05/350793205.db2.gz PRAKFAKRTFAZEF-JTQLQIEISA-N 1 3 208.309 0.938 10 0 BCAEHO CC(C)CC[C@H](C)NC[C@@H]1C[NH2+]C[C@H]1O ZINC000336687766 350962066 /nfs/dbraw/zinc/96/20/66/350962066.db2.gz UMHSEZVBPQIIHZ-SDDRHHMPSA-N 1 3 214.353 0.981 10 0 BCAEHO Nc1ccccc1[C@H]1CN(CC[NH3+])CCN1 ZINC000616653771 351194879 /nfs/dbraw/zinc/19/48/79/351194879.db2.gz IQTQPYIPPFWPGQ-GFCCVEGCSA-N 1 3 220.320 0.174 10 0 BCAEHO [NH3+]CCN1CCNC[C@@H]1c1ccc(CO)cc1 ZINC000616636847 351129675 /nfs/dbraw/zinc/12/96/75/351129675.db2.gz PXEZKPDVHXEGJH-CYBMUJFWSA-N 1 3 235.331 0.084 10 0 BCAEHO C[C@@H]1[C@@H](O)CCCN1CCC(C)(C)[NH3+] ZINC000307253103 351784205 /nfs/dbraw/zinc/78/42/05/351784205.db2.gz UOKXGJFQULGEHT-ZJUUUORDSA-N 1 3 200.326 0.959 10 0 BCAEHO CCN1CCC[C@H](NC(=O)C2=CC[C@H]([NH3+])C2)C1 ZINC000638080814 351953780 /nfs/dbraw/zinc/95/37/80/351953780.db2.gz RBSQFSWVJFIMOA-RYUDHWBXSA-N 1 3 237.347 0.634 10 0 BCAEHO CC(C)N1CCN([C@@H](C[NH3+])C2CC2)CC1 ZINC000036884050 187586806 /nfs/dbraw/zinc/58/68/06/187586806.db2.gz ZSFZFQKWQUZBBM-LBPRGKRZSA-N 1 3 211.353 0.750 10 0 BCAEHO CN1CCN(C2CCC3(C[C@H]3[NH3+])CC2)CC1 ZINC000725270453 538101989 /nfs/dbraw/zinc/10/19/89/538101989.db2.gz NHCOGIMZQSYYLU-OTTFEQOBSA-N 1 3 223.364 0.894 10 0 BCAEHO COC(=O)CCN[C@H]1C[C@H]([NH3+])C1(C)C ZINC000405201542 352115555 /nfs/dbraw/zinc/11/55/55/352115555.db2.gz CVOFPCWRBQFJSD-YUMQZZPRSA-N 1 3 200.282 0.265 10 0 BCAEHO COC(=O)CC[NH2+][C@H]1C[C@H](N)C1(C)C ZINC000405201542 352115556 /nfs/dbraw/zinc/11/55/56/352115556.db2.gz CVOFPCWRBQFJSD-YUMQZZPRSA-N 1 3 200.282 0.265 10 0 BCAEHO [NH3+][C@H]1CC12CCC(N1CCOCC1)CC2 ZINC000725271104 538103279 /nfs/dbraw/zinc/10/32/79/538103279.db2.gz XVLFXANHVKVBNZ-CXQJBGSLSA-N 1 3 210.321 0.979 10 0 BCAEHO C[C@@H]1C[NH2+]C[C@H]1C(=O)N[C@@H]1CCN(C)[C@H](C)C1 ZINC000300522802 352565653 /nfs/dbraw/zinc/56/56/53/352565653.db2.gz OXQFWAQTUDMMPG-DDHJBXDOSA-N 1 3 239.363 0.441 10 0 BCAEHO NCC[N@@H+]1CCC[C@@H](C2OCCO2)C1 ZINC000307723603 353111764 /nfs/dbraw/zinc/11/17/64/353111764.db2.gz VPDWMGGEISBEMB-SECBINFHSA-N 1 3 200.282 0.030 10 0 BCAEHO NCC[N@H+]1CCC[C@@H](C2OCCO2)C1 ZINC000307723603 353111766 /nfs/dbraw/zinc/11/17/66/353111766.db2.gz VPDWMGGEISBEMB-SECBINFHSA-N 1 3 200.282 0.030 10 0 BCAEHO C[C@@H]1CN(CC(C)(C)C[NH3+])CC[C@@H]1O ZINC000127219473 353265432 /nfs/dbraw/zinc/26/54/32/353265432.db2.gz YJOPRIAPXSQCIU-ZJUUUORDSA-N 1 3 200.326 0.674 10 0 BCAEHO C[C@H]1C[NH2+]C[C@H]1C(=O)N(C)CCN1CCCC1 ZINC000104206507 188324329 /nfs/dbraw/zinc/32/43/29/188324329.db2.gz DTVKYMYMEXPUJS-NWDGAFQWSA-N 1 3 239.363 0.396 10 0 BCAEHO CC(C)[C@H]([NH3+])CN(C)[C@@H]1CCCN(C)C1 ZINC000053247584 188338498 /nfs/dbraw/zinc/33/84/98/188338498.db2.gz BKYNOMLEBYEEPE-VXGBXAGGSA-N 1 3 213.369 0.996 10 0 BCAEHO CCN1CCC[C@H]1CNC(=O)[C@@H]1C[NH2+]C[C@H]1C ZINC000233482934 353823681 /nfs/dbraw/zinc/82/36/81/353823681.db2.gz PJQJVZOKUIDYHM-GRYCIOLGSA-N 1 3 239.363 0.442 10 0 BCAEHO NC(=[NH2+])c1cccc(CN(CCO)C2CC2)c1 ZINC000042479692 181196468 /nfs/dbraw/zinc/19/64/68/181196468.db2.gz URZWLCQKCXIKKI-UHFFFAOYSA-N 1 3 233.315 0.927 10 0 BCAEHO NC(=O)CC1CC[NH+]([C@@H]2CCCC[C@@H]2N)CC1 ZINC000042438609 181220370 /nfs/dbraw/zinc/22/03/70/181220370.db2.gz NSRVSEUKXSBQSG-NWDGAFQWSA-N 1 3 239.363 0.844 10 0 BCAEHO CCC[C@@H](N)C(=O)NCC[N@H+](C)[C@@H](C)CC ZINC000167194748 355968619 /nfs/dbraw/zinc/96/86/19/355968619.db2.gz BBNLTPVRYGFARK-WDEREUQCSA-N 1 3 229.368 0.960 10 0 BCAEHO CCC[C@@H](N)C(=O)NCC[N@@H+](C)[C@@H](C)CC ZINC000167194748 355968621 /nfs/dbraw/zinc/96/86/21/355968621.db2.gz BBNLTPVRYGFARK-WDEREUQCSA-N 1 3 229.368 0.960 10 0 BCAEHO CCC[C@@H](N)C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000390548688 357103565 /nfs/dbraw/zinc/10/35/65/357103565.db2.gz NSEHGLMVXCQCTA-VHSXEESVSA-N 1 3 213.325 0.230 10 0 BCAEHO C[NH+](C)[C@@H]1CCCN([C@H]2CCNC[C@H]2F)C1 ZINC000685948284 538890134 /nfs/dbraw/zinc/89/01/34/538890134.db2.gz GBGNKEKJYFQPIZ-UTUOFQBUSA-N 1 3 229.343 0.712 10 0 BCAEHO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)C1(N)CC1 ZINC000086188849 357871773 /nfs/dbraw/zinc/87/17/73/357871773.db2.gz FGUXOAFHEBBJBP-JTQLQIEISA-N 1 3 225.336 0.420 10 0 BCAEHO CC[N@H+]1CCC[C@H]1CN(C)C(=O)C1(N)CC1 ZINC000086188849 357871777 /nfs/dbraw/zinc/87/17/77/357871777.db2.gz FGUXOAFHEBBJBP-JTQLQIEISA-N 1 3 225.336 0.420 10 0 BCAEHO C[C@@H]1[NH2+]CC[C@H]1C(=O)N1CC[C@@H](N(C)C)C1 ZINC000221624612 358101268 /nfs/dbraw/zinc/10/12/68/358101268.db2.gz RSPBLKXBAAZIAG-HBNTYKKESA-N 1 3 225.336 0.147 10 0 BCAEHO C[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CC[C@@H](N(C)C)C1 ZINC000221624495 358101425 /nfs/dbraw/zinc/10/14/25/358101425.db2.gz RSPBLKXBAAZIAG-AXFHLTTASA-N 1 3 225.336 0.147 10 0 BCAEHO CCC[C@@H](N)C(=O)NC[C@H]1CC[N@@H+](C(C)C)C1 ZINC000040624511 358244280 /nfs/dbraw/zinc/24/42/80/358244280.db2.gz BWVKWBPMZUUGLP-VXGBXAGGSA-N 1 3 241.379 0.960 10 0 BCAEHO CCC[C@@H](N)C(=O)NC[C@H]1CC[N@H+](C(C)C)C1 ZINC000040624511 358244285 /nfs/dbraw/zinc/24/42/85/358244285.db2.gz BWVKWBPMZUUGLP-VXGBXAGGSA-N 1 3 241.379 0.960 10 0 BCAEHO C[NH2+]C(C)(C)[C@H](O)[C@H]1C[C@@H](C)CCN1 ZINC000306202728 359292181 /nfs/dbraw/zinc/29/21/81/359292181.db2.gz LOSWHBAREQXVIX-IVZWLZJFSA-N 1 3 200.326 0.733 10 0 BCAEHO CNC(C)(C)[C@H](O)[C@H]1C[C@@H](C)CC[NH2+]1 ZINC000306202728 359292185 /nfs/dbraw/zinc/29/21/85/359292185.db2.gz LOSWHBAREQXVIX-IVZWLZJFSA-N 1 3 200.326 0.733 10 0 BCAEHO CN1CCOC[C@@H]1CN[C@H]1CCC[NH2+]CC1 ZINC000629532779 361154155 /nfs/dbraw/zinc/15/41/55/361154155.db2.gz RRBMUXGYYPFYFK-RYUDHWBXSA-N 1 3 227.352 0.049 10 0 BCAEHO C1CC1[C@@H]1C[C@@H]([NH2+]C2CCNCC2)CO1 ZINC000629550008 361443193 /nfs/dbraw/zinc/44/31/93/361443193.db2.gz VZNOJZBRWHWMFQ-NEPJUHHUSA-N 1 3 210.321 0.896 10 0 BCAEHO CO[C@@H]1CN(CC2CCOCC2)[C@](C)(C[NH3+])C1 ZINC000630363729 364079225 /nfs/dbraw/zinc/07/92/25/364079225.db2.gz QXJZYDPBPOEWBV-STQMWFEESA-N 1 3 242.363 0.851 10 0 BCAEHO NCC1(C[N@@H+]2CCC[C@@H]2CO)CCOCC1 ZINC000052183337 181358606 /nfs/dbraw/zinc/35/86/06/181358606.db2.gz BTLMRVVSIRKHOV-LLVKDONJSA-N 1 3 228.336 0.199 10 0 BCAEHO NCC1(C[N@H+]2CCC[C@@H]2CO)CCOCC1 ZINC000052183337 181358608 /nfs/dbraw/zinc/35/86/08/181358608.db2.gz BTLMRVVSIRKHOV-LLVKDONJSA-N 1 3 228.336 0.199 10 0 BCAEHO CN1CCC(NC(=O)C2CCC([NH3+])CC2)CC1 ZINC000037626151 364354387 /nfs/dbraw/zinc/35/43/87/364354387.db2.gz AAJDDMQVIGDBRN-UHFFFAOYSA-N 1 3 239.363 0.714 10 0 BCAEHO [NH3+]CCc1csc([C@H]2C[C@@H](O)CN2)n1 ZINC000083347566 181413301 /nfs/dbraw/zinc/41/33/01/181413301.db2.gz OHABAFLQMURHHE-HTQZYQBOSA-N 1 3 213.306 0.040 10 0 BCAEHO O=S1CCC([NH2+]C2CCNCC2)CC1 ZINC000229178109 372125886 /nfs/dbraw/zinc/12/58/86/372125886.db2.gz DIZZEHHGBOQHLM-UHFFFAOYSA-N 1 3 216.350 0.239 10 0 BCAEHO O=S1CCC(NC2CC[NH2+]CC2)CC1 ZINC000229178109 372125892 /nfs/dbraw/zinc/12/58/92/372125892.db2.gz DIZZEHHGBOQHLM-UHFFFAOYSA-N 1 3 216.350 0.239 10 0 BCAEHO C[C@H]1CN(Cc2ccc(C(N)=O)cc2)C[C@H]1C[NH3+] ZINC000631840840 372637688 /nfs/dbraw/zinc/63/76/88/372637688.db2.gz FYWZKVBBVHYNOX-GXFFZTMASA-N 1 3 247.342 0.812 10 0 BCAEHO C[C@H]1CN(Cc2ccc(C(N)=O)cc2)C[C@@H]1C[NH3+] ZINC000631840839 372638489 /nfs/dbraw/zinc/63/84/89/372638489.db2.gz FYWZKVBBVHYNOX-GWCFXTLKSA-N 1 3 247.342 0.812 10 0 BCAEHO C[C@@H]1CCCN(CC(C)(C)O)[C@@H]1C[NH3+] ZINC000069727316 373660688 /nfs/dbraw/zinc/66/06/88/373660688.db2.gz GZJCTSLYSHROOV-NXEZZACHSA-N 1 3 200.326 0.817 10 0 BCAEHO OCCC[NH2+]CCCN1CCCCC1 ZINC000049478432 183057435 /nfs/dbraw/zinc/05/74/35/183057435.db2.gz LHEQAEWCNMFDDE-UHFFFAOYSA-N 1 3 200.326 0.834 10 0 BCAEHO OCCCNCCC[NH+]1CCCCC1 ZINC000049478432 183057437 /nfs/dbraw/zinc/05/74/37/183057437.db2.gz LHEQAEWCNMFDDE-UHFFFAOYSA-N 1 3 200.326 0.834 10 0 BCAEHO CCC[NH+]1CCC(N2CC[C@@H](N)C2=O)CC1 ZINC000049660254 169186609 /nfs/dbraw/zinc/18/66/09/169186609.db2.gz LCVSQHHWIJZXJU-LLVKDONJSA-N 1 3 225.336 0.420 10 0 BCAEHO CCC[NH2+]CCNC(=O)[C@H](N)CCC ZINC000236800191 169259432 /nfs/dbraw/zinc/25/94/32/169259432.db2.gz ZKTFZZHWSCULMK-SECBINFHSA-N 1 3 201.314 0.230 10 0 BCAEHO c1cc2cc(c1)CNCC[NH2+]CCNC2 ZINC000090755367 183374898 /nfs/dbraw/zinc/37/48/98/183374898.db2.gz HRZJFPQPJJANAS-UHFFFAOYSA-N 1 3 205.305 0.469 10 0 BCAEHO CCC[C@@H](N)C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000062972412 169388118 /nfs/dbraw/zinc/38/81/18/169388118.db2.gz HPPLERWBOCCRKG-NXEZZACHSA-N 1 3 213.325 0.276 10 0 BCAEHO CCC[C@@H](N)C(=O)NCC1CC[NH+](C)CC1 ZINC000044526674 169389499 /nfs/dbraw/zinc/38/94/99/169389499.db2.gz NBONRFBRLMQJIQ-LLVKDONJSA-N 1 3 227.352 0.572 10 0 BCAEHO CCC[C@H](N)C(=O)N1CCCC[C@@H]1[C@@H](C)[NH3+] ZINC000236800854 169500257 /nfs/dbraw/zinc/50/02/57/169500257.db2.gz ZLONKSFBACPIAV-OUAUKWLOSA-N 1 3 227.352 0.842 10 0 BCAEHO COC(=O)CCN1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000070534453 383935672 /nfs/dbraw/zinc/93/56/72/383935672.db2.gz XJSHNLRNDCIBPB-ZJUUUORDSA-N 1 3 214.309 0.609 10 0 BCAEHO NC[C@@]1([NH3+])CCCN(Cc2ccccc2)C1 ZINC000035676926 384088623 /nfs/dbraw/zinc/08/86/23/384088623.db2.gz XEVKWMMONSJVOW-ZDUSSCGKSA-N 1 3 219.332 0.939 10 0 BCAEHO N[C@]1(C[NH3+])CCCN(Cc2ccccc2)C1 ZINC000035676926 384088625 /nfs/dbraw/zinc/08/86/25/384088625.db2.gz XEVKWMMONSJVOW-ZDUSSCGKSA-N 1 3 219.332 0.939 10 0 BCAEHO c1cnc(CNCC2CC[NH2+]CC2)cn1 ZINC000095092657 384362445 /nfs/dbraw/zinc/36/24/45/384362445.db2.gz JUTJWRFPXGLXEO-UHFFFAOYSA-N 1 3 206.293 0.566 10 0 BCAEHO CS[C@H](CO)[C@@H](C)N[C@H]1CCC[NH2+]CC1 ZINC000300397998 384369527 /nfs/dbraw/zinc/36/95/27/384369527.db2.gz RVDBYUSYHCMZDO-OUAUKWLOSA-N 1 3 232.393 0.831 10 0 BCAEHO CCC[C@H](N)C(=O)N1CC[C@H](C[N@H+](C)CC)C1 ZINC000236809350 384574300 /nfs/dbraw/zinc/57/43/00/384574300.db2.gz SDNZCQQHRMPHDH-NEPJUHHUSA-N 1 3 241.379 0.914 10 0 BCAEHO CCC[C@H](N)C(=O)N1CC[C@H](C[N@@H+](C)CC)C1 ZINC000236809350 384574306 /nfs/dbraw/zinc/57/43/06/384574306.db2.gz SDNZCQQHRMPHDH-NEPJUHHUSA-N 1 3 241.379 0.914 10 0 BCAEHO CCN1CCC[C@@H](NC(=O)CC[NH2+]C(C)C)C1 ZINC000040503681 384576790 /nfs/dbraw/zinc/57/67/90/384576790.db2.gz SZVWRUFFBFBTHI-GFCCVEGCSA-N 1 3 241.379 0.975 10 0 BCAEHO CC(C)C[C@H](CN(C)C)N[C@@H]1CC[NH2+]C1 ZINC000086728034 384679561 /nfs/dbraw/zinc/67/95/61/384679561.db2.gz CJQUXWFRWYHSEM-VXGBXAGGSA-N 1 3 213.369 0.914 10 0 BCAEHO CN(CCNC(=O)[C@H]1CC[C@@H]([NH3+])C1)C1CC1 ZINC000227801031 385245715 /nfs/dbraw/zinc/24/57/15/385245715.db2.gz OZRHZZTZRBUMRX-VHSXEESVSA-N 1 3 225.336 0.324 10 0 BCAEHO CC[C@H](C)[C@@H](N)C(=O)N1CC[C@H](C[NH2+]C)C1 ZINC000179012535 385369094 /nfs/dbraw/zinc/36/90/94/385369094.db2.gz CTGLHFZRBCGONR-HBNTYKKESA-N 1 3 227.352 0.428 10 0 BCAEHO CC1(C)[C@H](N)C[C@@H]1[NH2+]CC1(O)CCOCC1 ZINC000405307108 385466758 /nfs/dbraw/zinc/46/67/58/385466758.db2.gz LIDVHXNNJOLMJW-ZJUUUORDSA-N 1 3 228.336 0.243 10 0 BCAEHO CN[C@H](C)C(=O)NC[C@H](C)C[NH+]1CCCCC1 ZINC000054075659 385594810 /nfs/dbraw/zinc/59/48/10/385594810.db2.gz JCDGMDQPTJSIOV-NWDGAFQWSA-N 1 3 241.379 0.833 10 0 BCAEHO CS[C@H](CO)[C@H](C)N[C@@H]1CCC[NH2+]CC1 ZINC000228310495 385630130 /nfs/dbraw/zinc/63/01/30/385630130.db2.gz RVDBYUSYHCMZDO-HBNTYKKESA-N 1 3 232.393 0.831 10 0 BCAEHO CN(C)CCNC(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000055086004 385705564 /nfs/dbraw/zinc/70/55/64/385705564.db2.gz KEISXPWVGJZPDE-UWVGGRQHSA-N 1 3 213.325 0.182 10 0 BCAEHO CNc1cccc([C@@H]2CNCCN2CC[NH3+])c1 ZINC000616636611 385831813 /nfs/dbraw/zinc/83/18/13/385831813.db2.gz XAPCRJMKZKNFNR-ZDUSSCGKSA-N 1 3 234.347 0.633 10 0 BCAEHO C[C@@H]1C[C@H](NC(=O)[C@@H]2CC[C@H]([NH3+])C2)CCN1C ZINC000132932292 386260412 /nfs/dbraw/zinc/26/04/12/386260412.db2.gz LQRNZVNQSURALF-WISYIIOYSA-N 1 3 239.363 0.713 10 0 BCAEHO CCC[C@H](N)C(=O)N(C)CC1CC[NH+](C)CC1 ZINC000063124215 386539332 /nfs/dbraw/zinc/53/93/32/386539332.db2.gz QDAROEGSVZTCQY-LBPRGKRZSA-N 1 3 241.379 0.914 10 0 BCAEHO CC[C@@H](C)[C@@H](N)C(=O)NCC1=CC[NH2+]CC1 ZINC000186341927 386722218 /nfs/dbraw/zinc/72/22/18/386722218.db2.gz QIZAFWQDGNZVQH-MWLCHTKSSA-N 1 3 225.336 0.396 10 0 BCAEHO CC[C@H]([NH3+])C(=O)N[C@H]1CCCN(CC)C1 ZINC000040503637 387836246 /nfs/dbraw/zinc/83/62/46/387836246.db2.gz JFXCAGRZGXVKIM-UWVGGRQHSA-N 1 3 213.325 0.324 10 0 BCAEHO CCN1CCC[C@@H](NC(=O)C[C@H](C)[NH3+])C1 ZINC000250196561 135050203 /nfs/dbraw/zinc/05/02/03/135050203.db2.gz AXWPSOHNQKUUOI-VHSXEESVSA-N 1 3 213.325 0.324 10 0 BCAEHO CN1CCC(NC(=O)[C@@H]2CC[C@H]([NH3+])C2)CC1 ZINC000085010078 388083229 /nfs/dbraw/zinc/08/32/29/388083229.db2.gz IPHSCXXPTNTFBL-ZJUUUORDSA-N 1 3 225.336 0.324 10 0 BCAEHO CCC[C@@H](N)C(=O)NC[C@@H](C)[NH2+]CC ZINC000261531939 135161823 /nfs/dbraw/zinc/16/18/23/135161823.db2.gz IKZUVJHAQFBCQX-RKDXNWHRSA-N 1 3 201.314 0.228 10 0 BCAEHO CN1CCC[C@@H]1CNC(=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000300409349 388367353 /nfs/dbraw/zinc/36/73/53/388367353.db2.gz XTIRGYJAMOJPTL-UTUOFQBUSA-N 1 3 239.363 0.572 10 0 BCAEHO CCC[C@@H](N)C(=O)N1CCC[C@H](C[NH3+])C1 ZINC000236906812 388385848 /nfs/dbraw/zinc/38/58/48/388385848.db2.gz VNDFJKPSSAIIAO-NXEZZACHSA-N 1 3 213.325 0.311 10 0 BCAEHO CC[NH+](CC)[C@@H](C)CNC(=O)[C@@H](N)C(C)C ZINC000237041712 388388365 /nfs/dbraw/zinc/38/83/65/388388365.db2.gz IITDHRKKDYKUEF-QWRGUYRKSA-N 1 3 229.368 0.816 10 0 BCAEHO CC[C@H](C)[C@@H](N)C(=O)N(C)CC(C)(C)C[NH3+] ZINC000262591320 135307348 /nfs/dbraw/zinc/30/73/48/135307348.db2.gz TXSWSACESAVJGX-VHSXEESVSA-N 1 3 229.368 0.803 10 0 BCAEHO COC(=O)CCN(C)[C@H]1CCC[NH2+]CC1 ZINC000226465849 388719920 /nfs/dbraw/zinc/71/99/20/388719920.db2.gz SJRNQJJFZLEKRK-JTQLQIEISA-N 1 3 214.309 0.623 10 0 BCAEHO CN1CCO[C@H](CN[C@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000250376679 388789069 /nfs/dbraw/zinc/78/90/69/388789069.db2.gz KTKKFBBAALVXQR-GRYCIOLGSA-N 1 3 227.352 0.177 10 0 BCAEHO CC(C)C[C@@H](CN(C)C)NC(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000565032740 388909693 /nfs/dbraw/zinc/90/96/93/388909693.db2.gz HCAFVGYRTZNIIU-TUAOUCFPSA-N 1 3 241.379 0.816 10 0 BCAEHO C[C@H](CCC[NH3+])N1CCN(c2ncccn2)CC1 ZINC000052418491 132362211 /nfs/dbraw/zinc/36/22/11/132362211.db2.gz DTAKBOQWQPPYLD-GFCCVEGCSA-N 1 3 249.362 0.726 10 0 BCAEHO CC1(C)[C@H](O)C[C@@H]1N[C@@H]1CCC[NH2+]CC1 ZINC000168177029 134156440 /nfs/dbraw/zinc/15/64/40/134156440.db2.gz ALZFWWPZLYVQRG-OUAUKWLOSA-N 1 3 212.337 0.878 10 0 BCAEHO C[C@@H]1CN(C[C@@H]2CCC[NH2+]C2)CC[C@H]1O ZINC000253195496 135124001 /nfs/dbraw/zinc/12/40/01/135124001.db2.gz QFPXZSZWQIAVIC-IJLUTSLNSA-N 1 3 212.337 0.689 10 0 BCAEHO C[C@@H]1C[N@H+](C[C@@H]2CCCNC2)CC[C@H]1O ZINC000253195496 135124003 /nfs/dbraw/zinc/12/40/03/135124003.db2.gz QFPXZSZWQIAVIC-IJLUTSLNSA-N 1 3 212.337 0.689 10 0 BCAEHO C[C@@H]1C[N@@H+](C[C@@H]2CCCNC2)CC[C@H]1O ZINC000253195496 135124004 /nfs/dbraw/zinc/12/40/04/135124004.db2.gz QFPXZSZWQIAVIC-IJLUTSLNSA-N 1 3 212.337 0.689 10 0 BCAEHO O[C@@H]1C[NH2+]C[C@H]1CN[C@H]1CCCSC1 ZINC000261528542 135153955 /nfs/dbraw/zinc/15/39/55/135153955.db2.gz QYPKOILLFGISIH-LPEHRKFASA-N 1 3 216.350 0.052 10 0 BCAEHO CC(C)(O)CN1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261529492 135155484 /nfs/dbraw/zinc/15/54/84/135155484.db2.gz SPICBADPRIVDQL-SECBINFHSA-N 1 3 200.326 0.817 10 0 BCAEHO CN(CC1CC(O)C1)C[C@@H]1CCC[NH2+]C1 ZINC000087647886 135160687 /nfs/dbraw/zinc/16/06/87/135160687.db2.gz NKYBONHDVHIYFO-VOMCLLRMSA-N 1 3 212.337 0.689 10 0 BCAEHO C[N@H+](CC1CC(O)C1)C[C@@H]1CCCNC1 ZINC000087647886 135160689 /nfs/dbraw/zinc/16/06/89/135160689.db2.gz NKYBONHDVHIYFO-VOMCLLRMSA-N 1 3 212.337 0.689 10 0 BCAEHO C[N@@H+](CC1CC(O)C1)C[C@@H]1CCCNC1 ZINC000087647886 135160691 /nfs/dbraw/zinc/16/06/91/135160691.db2.gz NKYBONHDVHIYFO-VOMCLLRMSA-N 1 3 212.337 0.689 10 0 BCAEHO CN1CCC[C@H]1CNC(=O)[C@]1(C)CCCC[NH2+]1 ZINC000261539942 135178677 /nfs/dbraw/zinc/17/86/77/135178677.db2.gz CQEXPOQGUFFFPU-AAEUAGOBSA-N 1 3 239.363 0.729 10 0 BCAEHO CN1CCC[C@@H]1CNC(=O)CC[C@H]1CCC[NH2+]1 ZINC000261541552 135181939 /nfs/dbraw/zinc/18/19/39/135181939.db2.gz BHQAISVPGMWZLQ-VXGBXAGGSA-N 1 3 239.363 0.729 10 0 BCAEHO CC[C@@H]1CC[C@H](NC[C@H]2C[NH2+]C[C@H]2O)C1 ZINC000261549504 135188253 /nfs/dbraw/zinc/18/82/53/135188253.db2.gz ORYJVBVGLNCJAG-WISYIIOYSA-N 1 3 212.337 0.735 10 0 BCAEHO CC[C@@H]1CC[C@H]([NH2+]C[C@H]2CNC[C@H]2O)C1 ZINC000261549504 135188254 /nfs/dbraw/zinc/18/82/54/135188254.db2.gz ORYJVBVGLNCJAG-WISYIIOYSA-N 1 3 212.337 0.735 10 0 BCAEHO C[C@]1(CN2CC[C@@H](CCO)C2)CC[NH2+]C1 ZINC000261550569 135188916 /nfs/dbraw/zinc/18/89/16/135188916.db2.gz PNZATOBDICAGHZ-RYUDHWBXSA-N 1 3 212.337 0.690 10 0 BCAEHO CCCC[C@@H](C[NH3+])NC(=O)[C@H](N)CCC ZINC000261552322 135191222 /nfs/dbraw/zinc/19/12/22/135191222.db2.gz RCBOIUVMCHBFSY-VHSXEESVSA-N 1 3 215.341 0.748 10 0 BCAEHO CC1(C)CCC[C@@H]1NC[C@H]1C[NH2+]C[C@H]1O ZINC000261552875 135192179 /nfs/dbraw/zinc/19/21/79/135192179.db2.gz RZGBGTPGCKRTPB-MXWKQRLJSA-N 1 3 212.337 0.735 10 0 BCAEHO CC1(C)CCC[C@@H]1[NH2+]C[C@H]1CNC[C@H]1O ZINC000261552875 135192180 /nfs/dbraw/zinc/19/21/80/135192180.db2.gz RZGBGTPGCKRTPB-MXWKQRLJSA-N 1 3 212.337 0.735 10 0 BCAEHO C[C@@H]1[C@H](CO)CC[N@@H+]1C[C@H]1CCCNC1 ZINC000261557543 135197498 /nfs/dbraw/zinc/19/74/98/135197498.db2.gz XJFXXGJMZSPKPE-WOPDTQHZSA-N 1 3 212.337 0.689 10 0 BCAEHO C[C@@H]1[C@H](CO)CC[N@H+]1C[C@H]1CCCNC1 ZINC000261557543 135197500 /nfs/dbraw/zinc/19/75/00/135197500.db2.gz XJFXXGJMZSPKPE-WOPDTQHZSA-N 1 3 212.337 0.689 10 0 BCAEHO C[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1CNC[C@@H]1O ZINC000261557318 135198022 /nfs/dbraw/zinc/19/80/22/135198022.db2.gz XEZCZCDSEGZZFV-RHYQMDGZSA-N 1 3 212.337 0.735 10 0 BCAEHO C[C@@H]1CCC[C@H](NC[C@H]2C[NH2+]C[C@@H]2O)C1 ZINC000261558622 135199659 /nfs/dbraw/zinc/19/96/59/135199659.db2.gz YNIAPKKHKHUJKX-WYUUTHIRSA-N 1 3 212.337 0.735 10 0 BCAEHO C[C@@H]1CCC[C@H]([NH2+]C[C@H]2CNC[C@@H]2O)C1 ZINC000261558622 135199661 /nfs/dbraw/zinc/19/96/61/135199661.db2.gz YNIAPKKHKHUJKX-WYUUTHIRSA-N 1 3 212.337 0.735 10 0 BCAEHO COC(=O)C(C)(C)CNC[C@H]1CCC[NH2+]C1 ZINC000261570371 135212466 /nfs/dbraw/zinc/21/24/66/135212466.db2.gz GUDFWFQMRHDJSZ-JTQLQIEISA-N 1 3 228.336 0.775 10 0 BCAEHO COC(=O)C(C)(C)C[NH2+]C[C@H]1CCCNC1 ZINC000261570371 135212467 /nfs/dbraw/zinc/21/24/67/135212467.db2.gz GUDFWFQMRHDJSZ-JTQLQIEISA-N 1 3 228.336 0.775 10 0 BCAEHO COCCOCCN1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000261594801 135234778 /nfs/dbraw/zinc/23/47/78/135234778.db2.gz XSOBZODVRJDYHX-QJPTWQEYSA-N 1 3 228.336 0.319 10 0 BCAEHO CC1CCC(NC[C@H]2C[NH2+]C[C@@H]2O)CC1 ZINC000261548167 135241596 /nfs/dbraw/zinc/24/15/96/135241596.db2.gz NFEGUNRHTPAEJG-RSJDFQLWSA-N 1 3 212.337 0.735 10 0 BCAEHO CC1CCC([NH2+]C[C@H]2CNC[C@@H]2O)CC1 ZINC000261548167 135241597 /nfs/dbraw/zinc/24/15/97/135241597.db2.gz NFEGUNRHTPAEJG-RSJDFQLWSA-N 1 3 212.337 0.735 10 0 BCAEHO C[C@@]1(CN2CCC[C@H](c3nc[nH]n3)C2)CC[NH2+]C1 ZINC000261914103 135262289 /nfs/dbraw/zinc/26/22/89/135262289.db2.gz YXHIUOVTUPRXHI-WCQYABFASA-N 1 3 249.362 0.984 10 0 BCAEHO OCCN(C[C@@H]1CCC[NH2+]C1)C1CCOCC1 ZINC000261958658 135265944 /nfs/dbraw/zinc/26/59/44/135265944.db2.gz OXWLXIDWTPYJEB-GFCCVEGCSA-N 1 3 242.363 0.459 10 0 BCAEHO OCC[N@H+](C[C@@H]1CCCNC1)C1CCOCC1 ZINC000261958658 135265945 /nfs/dbraw/zinc/26/59/45/135265945.db2.gz OXWLXIDWTPYJEB-GFCCVEGCSA-N 1 3 242.363 0.459 10 0 BCAEHO OCC[N@@H+](C[C@@H]1CCCNC1)C1CCOCC1 ZINC000261958658 135265947 /nfs/dbraw/zinc/26/59/47/135265947.db2.gz OXWLXIDWTPYJEB-GFCCVEGCSA-N 1 3 242.363 0.459 10 0 BCAEHO CC[C@H](C)[C@H](N)C(=O)N1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261984319 135269686 /nfs/dbraw/zinc/26/96/86/135269686.db2.gz MIVBCYBZJGXZFE-DCAQKATOSA-N 1 3 241.379 0.946 10 0 BCAEHO CC(C)N(C)CC(=O)N1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000262108863 135279615 /nfs/dbraw/zinc/27/96/15/135279615.db2.gz VNEVTVDTIYXOMZ-LLVKDONJSA-N 1 3 241.379 0.912 10 0 BCAEHO C[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CNC[C@@H]2O)[C@H]1C ZINC000262156597 135283110 /nfs/dbraw/zinc/28/31/10/135283110.db2.gz RZUYNXXAAASQLL-MOLYVOAJSA-N 1 3 226.364 0.981 10 0 BCAEHO NC1(C(=O)N[C@@H]2CCC[C@@H]2C[NH3+])CCCCC1 ZINC000262431578 135296671 /nfs/dbraw/zinc/29/66/71/135296671.db2.gz JUTXOBGJFIBXOQ-GHMZBOCLSA-N 1 3 239.363 0.892 10 0 BCAEHO CCCN1CCC[C@@H]1C(=O)NCC[C@@H](C)[NH3+] ZINC000262544788 135305390 /nfs/dbraw/zinc/30/53/90/135305390.db2.gz ZOCDQILURJUOOU-GHMZBOCLSA-N 1 3 227.352 0.714 10 0 BCAEHO CC(C)C[C@H](N)C(=O)N[C@@H]1CCC[C@@H]1C[NH3+] ZINC000262615738 135308930 /nfs/dbraw/zinc/30/89/30/135308930.db2.gz GQSHZRQGUHLHCF-OUAUKWLOSA-N 1 3 227.352 0.603 10 0 BCAEHO C[C@@H]1NCCN(C(=O)[C@@H]2CCC[C@H]([NH3+])C2)[C@H]1C ZINC000262707856 135314807 /nfs/dbraw/zinc/31/48/07/135314807.db2.gz BYEQODHXNKXILT-YFKTTZPYSA-N 1 3 239.363 0.713 10 0 BCAEHO CCC[C@](C)(N)C(=O)N[C@@H]1CCC[NH2+][C@H]1C ZINC000262839103 135321137 /nfs/dbraw/zinc/32/11/37/135321137.db2.gz WZGWGMVDYXWGLZ-UMNHJUIQSA-N 1 3 227.352 0.761 10 0 BCAEHO C[C@@H]1CC[C@H](NC[C@@H]2C[NH2+]C[C@@H]2O)C[C@@H]1C ZINC000263154554 135336296 /nfs/dbraw/zinc/33/62/96/135336296.db2.gz DGNVAAJTQMFVKB-MOLYVOAJSA-N 1 3 226.364 0.981 10 0 BCAEHO C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CNC[C@@H]2O)C[C@@H]1C ZINC000263154554 135336297 /nfs/dbraw/zinc/33/62/97/135336297.db2.gz DGNVAAJTQMFVKB-MOLYVOAJSA-N 1 3 226.364 0.981 10 0 BCAEHO O[C@@H]1CNC[C@@H]1C[NH2+][C@H]1CCC[C@H]1C1CC1 ZINC000263239824 135341857 /nfs/dbraw/zinc/34/18/57/135341857.db2.gz OKHPVLBSUWXGIL-MROQNXINSA-N 1 3 224.348 0.735 10 0 BCAEHO C[C@@H]1CCC[C@H](CNC[C@@H]2C[NH2+]C[C@@H]2O)C1 ZINC000263301590 135345384 /nfs/dbraw/zinc/34/53/84/135345384.db2.gz XCFXMXQNAMHOHZ-XQHKEYJVSA-N 1 3 226.364 0.983 10 0 BCAEHO C[C@@H]1CCC[C@H](C[NH2+]C[C@@H]2CNC[C@@H]2O)C1 ZINC000263301590 135345386 /nfs/dbraw/zinc/34/53/86/135345386.db2.gz XCFXMXQNAMHOHZ-XQHKEYJVSA-N 1 3 226.364 0.983 10 0 BCAEHO CC[C@H]1CCCCN1CCNC(=O)C1C[NH2+]C1 ZINC000263331711 135347139 /nfs/dbraw/zinc/34/71/39/135347139.db2.gz VCGGZYHMPFKREF-LBPRGKRZSA-N 1 3 239.363 0.587 10 0 BCAEHO CC(C)CC[C@H](C)NC[C@@H]1C[NH2+]C[C@@H]1O ZINC000336687768 166905372 /nfs/dbraw/zinc/90/53/72/166905372.db2.gz UMHSEZVBPQIIHZ-SRVKXCTJSA-N 1 3 214.353 0.981 10 0 BCAEHO CC(C)C[C@@H](N)C(=O)NC[C@H]1CC[NH2+]C1 ZINC000390574705 397896063 /nfs/dbraw/zinc/89/60/63/397896063.db2.gz VSVBOAOGFZJJAH-VHSXEESVSA-N 1 3 213.325 0.086 10 0 BCAEHO O=C(CCC1C[NH2+]C1)N1CCN2CCC[C@@H]2C1 ZINC000638107282 398076527 /nfs/dbraw/zinc/07/65/27/398076527.db2.gz GSRGFKJCCFETTE-GFCCVEGCSA-N 1 3 237.347 0.293 10 0 BCAEHO COCCN1CC[C@H](C)[NH2+]C[C@@H](C)C1 ZINC000049665419 174313604 /nfs/dbraw/zinc/31/36/04/174313604.db2.gz SFTHUMNDOQITPI-MNOVXSKESA-N 1 3 200.326 0.953 10 0 BCAEHO CC(C)[NH2+]CCCC(=O)N1CC[C@H](N(C)C)C1 ZINC000062972321 167100905 /nfs/dbraw/zinc/10/09/05/167100905.db2.gz LUBLLWLTMJPIQO-LBPRGKRZSA-N 1 3 241.379 0.927 10 0 BCAEHO CCN1CC[C@H](N2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)C1=O ZINC000662265792 409561738 /nfs/dbraw/zinc/56/17/38/409561738.db2.gz IOOSESDSIFEJSY-QCNOEVLYSA-N 1 3 237.347 0.276 10 0 BCAEHO C[C@H]([NH3+])CCC(=O)N1CC[C@@H](N(C)C)C1 ZINC000069840303 409789082 /nfs/dbraw/zinc/78/90/82/409789082.db2.gz RGWYGUYFJZMVCV-VHSXEESVSA-N 1 3 213.325 0.276 10 0 BCAEHO CN[C@H](C)C(=O)NCC[C@H](C)[NH+](C)C ZINC000662635427 409807393 /nfs/dbraw/zinc/80/73/93/409807393.db2.gz VNJBTFKRRPAMGV-DTWKUNHWSA-N 1 3 201.314 0.051 10 0 BCAEHO CC(C)[C@@H]([NH3+])CC(=O)NCCN1CCCC1 ZINC000128914280 410365124 /nfs/dbraw/zinc/36/51/24/410365124.db2.gz JUWXWNNOPVHFTQ-NSHDSACASA-N 1 3 227.352 0.572 10 0 BCAEHO CC(C)[C@H]([NH3+])CC(=O)N1CC[C@H](N(C)C)C1 ZINC000129052901 410367203 /nfs/dbraw/zinc/36/72/03/410367203.db2.gz KQOZGVYHCXIHRG-WDEREUQCSA-N 1 3 227.352 0.522 10 0 BCAEHO CC(C)N1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000246449458 167031295 /nfs/dbraw/zinc/03/12/95/167031295.db2.gz OOZGOFOQFNZKJU-IJLUTSLNSA-N 1 3 239.363 0.583 10 0 BCAEHO CC(C)N1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000246449443 167031520 /nfs/dbraw/zinc/03/15/20/167031520.db2.gz OOZGOFOQFNZKJU-GRYCIOLGSA-N 1 3 239.363 0.583 10 0 BCAEHO CC(C)OCCCN1CCC(O)(C[NH3+])CC1 ZINC000071534941 167213521 /nfs/dbraw/zinc/21/35/21/167213521.db2.gz OBHJPKODCIJIRI-UHFFFAOYSA-N 1 3 230.352 0.587 10 0 BCAEHO CC(C)[C@@H](CN)[N@H+](C)[C@@H]1CCCN(C)C1 ZINC000053206257 167396560 /nfs/dbraw/zinc/39/65/60/167396560.db2.gz RQIDAFRTIRXCAD-VXGBXAGGSA-N 1 3 213.369 0.996 10 0 BCAEHO CC(C)[C@@H](CN)[N@@H+](C)[C@@H]1CCCN(C)C1 ZINC000053206257 167396562 /nfs/dbraw/zinc/39/65/62/167396562.db2.gz RQIDAFRTIRXCAD-VXGBXAGGSA-N 1 3 213.369 0.996 10 0 BCAEHO CC(C)[C@@H](N)C(=O)N1CCC[C@@H]1C[NH+](C)C ZINC000061645026 167412180 /nfs/dbraw/zinc/41/21/80/167412180.db2.gz FQNGKBJHXSSVAZ-GHMZBOCLSA-N 1 3 227.352 0.522 10 0 BCAEHO CCC[C@H](N)C(=O)N[C@H](C)C[NH+](CC)CC ZINC000041680159 410934251 /nfs/dbraw/zinc/93/42/51/410934251.db2.gz MMCWRZDXTYYGDP-MNOVXSKESA-N 1 3 229.368 0.960 10 0 BCAEHO CC(C)C[C@@H](N)C(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000044538898 411137140 /nfs/dbraw/zinc/13/71/40/411137140.db2.gz RWYFXNVGNQFAJG-NWDGAFQWSA-N 1 3 241.379 0.818 10 0 BCAEHO CC(C)C[C@@H](N)C(=O)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000044538898 411137141 /nfs/dbraw/zinc/13/71/41/411137141.db2.gz RWYFXNVGNQFAJG-NWDGAFQWSA-N 1 3 241.379 0.818 10 0 BCAEHO C[C@H](CC1CCC1)NC[C@@H]1C[NH2+]C[C@@H]1O ZINC000310002527 411193993 /nfs/dbraw/zinc/19/39/93/411193993.db2.gz FIOPWGJPLQXIMS-USWWRNFRSA-N 1 3 212.337 0.735 10 0 BCAEHO C[C@H](CC1CCC1)[NH2+]C[C@@H]1CNC[C@@H]1O ZINC000310002527 411193996 /nfs/dbraw/zinc/19/39/96/411193996.db2.gz FIOPWGJPLQXIMS-USWWRNFRSA-N 1 3 212.337 0.735 10 0 BCAEHO CN(C)[C@H]1CCN(C(=O)CC[C@H]2CCC[NH2+]2)C1 ZINC000310544788 411241464 /nfs/dbraw/zinc/24/14/64/411241464.db2.gz DGQBZWDOAOFPAF-NEPJUHHUSA-N 1 3 239.363 0.681 10 0 BCAEHO CC1CC[NH+](CCn2cc(CN)nn2)CC1 ZINC000052377051 168182118 /nfs/dbraw/zinc/18/21/18/168182118.db2.gz HXKBJNPLLHNZFL-UHFFFAOYSA-N 1 3 223.324 0.469 10 0 BCAEHO CC[N@@H+]1CC[C@H](CN2CC[C@H](NC)C2=O)C1 ZINC000049648811 170015591 /nfs/dbraw/zinc/01/55/91/170015591.db2.gz XUXPXBSUTWMYJJ-QWRGUYRKSA-N 1 3 225.336 0.149 10 0 BCAEHO CC[N@H+]1CC[C@H](CN2CC[C@H](NC)C2=O)C1 ZINC000049648811 170015592 /nfs/dbraw/zinc/01/55/92/170015592.db2.gz XUXPXBSUTWMYJJ-QWRGUYRKSA-N 1 3 225.336 0.149 10 0 BCAEHO CC[NH2+]C(C)(C)C(=O)NC1CCN(C)CC1 ZINC000061288934 170107765 /nfs/dbraw/zinc/10/77/65/170107765.db2.gz QUMWGVXJMIDIDP-UHFFFAOYSA-N 1 3 227.352 0.585 10 0 BCAEHO CC[NH2+]C[C@@H](C)C(=O)N[C@H]1CCCN(CC)C1 ZINC000061266912 170118780 /nfs/dbraw/zinc/11/87/80/170118780.db2.gz ZYBCBYQHTLIKHG-NEPJUHHUSA-N 1 3 241.379 0.833 10 0 BCAEHO CCNC[C@@H](O)C[N@H+](CCOC)[C@@H](C)C1CC1 ZINC000042615924 170119391 /nfs/dbraw/zinc/11/93/91/170119391.db2.gz NXMHNEQMKJTRJL-WCQYABFASA-N 1 3 244.379 0.704 10 0 BCAEHO CCNC[C@@H](O)C[N@@H+](CCOC)[C@@H](C)C1CC1 ZINC000042615924 170119393 /nfs/dbraw/zinc/11/93/93/170119393.db2.gz NXMHNEQMKJTRJL-WCQYABFASA-N 1 3 244.379 0.704 10 0 BCAEHO CC[NH2+]C[C@H](C)C(=O)NCCN1CCCCC1 ZINC000061267819 170122112 /nfs/dbraw/zinc/12/21/12/170122112.db2.gz LIFOYAMJURXJQT-LBPRGKRZSA-N 1 3 241.379 0.834 10 0 BCAEHO CCNCc1ccc(OCCC[NH+](C)C)nn1 ZINC000051549311 170127432 /nfs/dbraw/zinc/12/74/32/170127432.db2.gz NFEYNEQZHBDADD-UHFFFAOYSA-N 1 3 238.335 0.917 10 0 BCAEHO CC[NH2+][C@@H](C)CC(=O)N[C@@H]1CN2CCC1CC2 ZINC000061269069 170139091 /nfs/dbraw/zinc/13/90/91/170139091.db2.gz JMLIPWCYNPXVFF-CMPLNLGQSA-N 1 3 239.363 0.585 10 0 BCAEHO CC[NH2+][C@H](C)CC(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000061274405 170156891 /nfs/dbraw/zinc/15/68/91/170156891.db2.gz TWJZHBRRVYFPRG-GHMZBOCLSA-N 1 3 239.363 0.727 10 0 BCAEHO CC[NH2+][C@H](C)CC(=O)N1CCCNCC1 ZINC000061269670 170156954 /nfs/dbraw/zinc/15/69/54/170156954.db2.gz DEZDTDBGCIGLMG-SNVBAGLBSA-N 1 3 213.325 0.196 10 0 BCAEHO CC[C@@H]1C[N@H+](C[C@@H]2CCCNC2)C[C@H]1O ZINC000261551627 171085713 /nfs/dbraw/zinc/08/57/13/171085713.db2.gz QPYSHSSYWAPYDG-IJLUTSLNSA-N 1 3 212.337 0.689 10 0 BCAEHO CC[C@@H]1C[N@@H+](C[C@@H]2CCCNC2)C[C@H]1O ZINC000261551627 171085716 /nfs/dbraw/zinc/08/57/16/171085716.db2.gz QPYSHSSYWAPYDG-IJLUTSLNSA-N 1 3 212.337 0.689 10 0 BCAEHO CC[C@@H]1CN(C[C@@H]2CCC[NH2+]C2)C[C@H]1O ZINC000261551627 171085719 /nfs/dbraw/zinc/08/57/19/171085719.db2.gz QPYSHSSYWAPYDG-IJLUTSLNSA-N 1 3 212.337 0.689 10 0 BCAEHO CC[C@H](C)N1CCN([C@]2(C[NH3+])CCOC2)CC1 ZINC000104073284 171319319 /nfs/dbraw/zinc/31/93/19/171319319.db2.gz CWVCFNJDQSNXNQ-STQMWFEESA-N 1 3 241.379 0.520 10 0 BCAEHO CC[C@H](C)[NH2+]CC(=O)N(C)C1CCN(C)CC1 ZINC000037616938 171339775 /nfs/dbraw/zinc/33/97/75/171339775.db2.gz LSVVXAABDTWTBP-NSHDSACASA-N 1 3 241.379 0.927 10 0 BCAEHO CC[C@H]([NH2+]C)C(=O)N1C[C@@H]2CCCN2C[C@@H]1C ZINC000662460083 412182550 /nfs/dbraw/zinc/18/25/50/412182550.db2.gz PSZASMAIFRHLAU-SRVKXCTJSA-N 1 3 239.363 0.680 10 0 BCAEHO CC[C@@H]([NH2+]C)C(=O)N(C)C[C@H]1CCCN1CC ZINC000662486349 412189181 /nfs/dbraw/zinc/18/91/81/412189181.db2.gz AMSUUHUGLQHQMG-VXGBXAGGSA-N 1 3 241.379 0.927 10 0 BCAEHO COC[C@H](CCN[C@@H](C)[C@@H]1CC[NH2+]C1)OC ZINC000665235771 412173898 /nfs/dbraw/zinc/17/38/98/412173898.db2.gz ZRKRYBUZCBIHTG-TUAOUCFPSA-N 1 3 230.352 0.626 10 0 BCAEHO [NH3+][C@H]1C[C@H](C(=O)N2CCN3CCC[C@@H]3C2)C1 ZINC000662723461 412284079 /nfs/dbraw/zinc/28/40/79/412284079.db2.gz FTWOWQKZICZVIG-GMTAPVOTSA-N 1 3 223.320 0.030 10 0 BCAEHO CCC[C@H](N)C(=O)NCC[C@H](C)[NH+](C)C ZINC000662633638 412251621 /nfs/dbraw/zinc/25/16/21/412251621.db2.gz MZRMRTCZVHPTKU-UWVGGRQHSA-N 1 3 215.341 0.570 10 0 BCAEHO CN(C)CCN(C)C(=O)[C@@H]1CCC[C@@H](C[NH3+])C1 ZINC000104202200 172449187 /nfs/dbraw/zinc/44/91/87/172449187.db2.gz KOMPMRRKZNSVTM-VXGBXAGGSA-N 1 3 241.379 0.772 10 0 BCAEHO CN1CCCC[C@@H]1CNC1CC[NH2+]CC1 ZINC000044560640 173004378 /nfs/dbraw/zinc/00/43/78/173004378.db2.gz XDWZUNRQQOAGMO-GFCCVEGCSA-N 1 3 211.353 0.812 10 0 BCAEHO CN1CCCN([C@@H](C[NH3+])c2ccco2)CC1 ZINC000020217639 173016971 /nfs/dbraw/zinc/01/69/71/173016971.db2.gz VTNBQJJORVEMFF-NSHDSACASA-N 1 3 223.320 0.917 10 0 BCAEHO CN1CCCN([C@@H]2CCCC[NH2+]C2)CC1 ZINC000054134889 173017527 /nfs/dbraw/zinc/01/75/27/173017527.db2.gz ASDCHBNMKDWIQY-GFCCVEGCSA-N 1 3 211.353 0.766 10 0 BCAEHO CN1CCCN(c2cc(N)cc[nH+]2)CC1 ZINC000043568087 173018303 /nfs/dbraw/zinc/01/83/03/173018303.db2.gz BZCOFBSRGJGSMR-UHFFFAOYSA-N 1 3 206.293 0.806 10 0 BCAEHO CN1CCN(C[C@H]2CCCC[C@@H]2[NH3+])CC1 ZINC000058081579 173085969 /nfs/dbraw/zinc/08/59/69/173085969.db2.gz OECPXPZWNJEOIV-NEPJUHHUSA-N 1 3 211.353 0.751 10 0 BCAEHO CN1CCN([C@@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000037157165 173092788 /nfs/dbraw/zinc/09/27/88/173092788.db2.gz BHTFXWJZHCTUNF-NWDGAFQWSA-N 1 3 211.353 0.751 10 0 BCAEHO CN1CCN([C@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000037157167 173095188 /nfs/dbraw/zinc/09/51/88/173095188.db2.gz BHTFXWJZHCTUNF-RYUDHWBXSA-N 1 3 211.353 0.751 10 0 BCAEHO CN1CC[C@@H](C[N@H+](C)C2(CN)CCOCC2)C1 ZINC000071188339 173111600 /nfs/dbraw/zinc/11/16/00/173111600.db2.gz JHAZGSYWBSMPJP-GFCCVEGCSA-N 1 3 241.379 0.378 10 0 BCAEHO CN1CC[C@@H](C[N@@H+](C)C2(CN)CCOCC2)C1 ZINC000071188339 173111603 /nfs/dbraw/zinc/11/16/03/173111603.db2.gz JHAZGSYWBSMPJP-GFCCVEGCSA-N 1 3 241.379 0.378 10 0 BCAEHO CN1CC[C@@H](NC(=O)CC2CC[NH2+]CC2)C1 ZINC000042549116 173122172 /nfs/dbraw/zinc/12/21/72/173122172.db2.gz UKKLVLQGVXPIKL-LLVKDONJSA-N 1 3 225.336 0.196 10 0 BCAEHO CN1CC[C@@](CN)([N@H+](C)[C@@H]2CCSC2)C1 ZINC000061990222 173135705 /nfs/dbraw/zinc/13/57/05/173135705.db2.gz CMNRSZFJEDMQAG-MNOVXSKESA-N 1 3 229.393 0.457 10 0 BCAEHO CN1CC[C@@](CN)([N@@H+](C)[C@@H]2CCSC2)C1 ZINC000061990222 173135706 /nfs/dbraw/zinc/13/57/06/173135706.db2.gz CMNRSZFJEDMQAG-MNOVXSKESA-N 1 3 229.393 0.457 10 0 BCAEHO C[N@@H+]1CC[C@H](CNC(=O)[C@](C)(N)C2CC2)C1 ZINC000037484872 173145331 /nfs/dbraw/zinc/14/53/31/173145331.db2.gz HLVMPVDXMPIUSP-BXKDBHETSA-N 1 3 225.336 0.182 10 0 BCAEHO C[N@H+]1CC[C@H](CNC(=O)[C@](C)(N)C2CC2)C1 ZINC000037484872 173145333 /nfs/dbraw/zinc/14/53/33/173145333.db2.gz HLVMPVDXMPIUSP-BXKDBHETSA-N 1 3 225.336 0.182 10 0 BCAEHO CNC(=O)C1CC[NH+]([C@H]2CCC[C@@H]2N)CC1 ZINC000042489246 173223753 /nfs/dbraw/zinc/22/37/53/173223753.db2.gz IFBFKMVITOJJLK-QWRGUYRKSA-N 1 3 225.336 0.324 10 0 BCAEHO CNC(=O)[C@H](C)[NH2+]C1CCN(C(C)C)CC1 ZINC000042220905 173302543 /nfs/dbraw/zinc/30/25/43/173302543.db2.gz WZYFQQIFCCQMLS-JTQLQIEISA-N 1 3 227.352 0.583 10 0 BCAEHO C[NH2+]C(C)(C)C(=O)N1CCC[C@@H]1CN(C)C ZINC000061644793 173317425 /nfs/dbraw/zinc/31/74/25/173317425.db2.gz HWVNHFYESYGBKM-SNVBAGLBSA-N 1 3 227.352 0.537 10 0 BCAEHO C[NH2+]CC(=O)N(CCN(C)C)Cc1ccco1 ZINC000193132409 173325169 /nfs/dbraw/zinc/32/51/69/173325169.db2.gz LYHBFCRQJQFSIY-UHFFFAOYSA-N 1 3 239.319 0.389 10 0 BCAEHO CNCC(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000037770609 173328098 /nfs/dbraw/zinc/32/80/98/173328098.db2.gz YVUJTWNXSUQOMJ-UHFFFAOYSA-N 1 3 227.352 0.585 10 0 BCAEHO CNCC(=O)NCC[N@H+](C)C1CCCCCC1 ZINC000077388840 173328413 /nfs/dbraw/zinc/32/84/13/173328413.db2.gz ZMPOBEJKLXCKCP-UHFFFAOYSA-N 1 3 241.379 0.977 10 0 BCAEHO CNCC(=O)NCC[N@@H+](C)C1CCCCCC1 ZINC000077388840 173328415 /nfs/dbraw/zinc/32/84/15/173328415.db2.gz ZMPOBEJKLXCKCP-UHFFFAOYSA-N 1 3 241.379 0.977 10 0 BCAEHO C[NH2+]CC[C@H](C)N1CCN(CCN(C)C)CC1 ZINC000061654857 173358414 /nfs/dbraw/zinc/35/84/14/173358414.db2.gz BBHKAVSAELBVBB-ZDUSSCGKSA-N 1 3 242.411 0.164 10 0 BCAEHO C[NH2+]C[C@@H](C)C(=O)N[C@H](CC(C)C)CN(C)C ZINC000092132850 173363541 /nfs/dbraw/zinc/36/35/41/173363541.db2.gz YHUHYDWBSIUNDZ-VXGBXAGGSA-N 1 3 243.395 0.934 10 0 BCAEHO C[NH2+]C[C@@H](O)CN1CCCCCCC1 ZINC000020265475 173364585 /nfs/dbraw/zinc/36/45/85/173364585.db2.gz GVDQKSLZOXFXGE-LLVKDONJSA-N 1 3 200.326 0.833 10 0 BCAEHO C[NH2+]C[C@@H]1CC[C@H](CN2CCCOCC2)O1 ZINC000061935852 173371789 /nfs/dbraw/zinc/37/17/89/173371789.db2.gz BJTCLERBXIGFGL-NWDGAFQWSA-N 1 3 228.336 0.476 10 0 BCAEHO COC1CCN(C[C@@H]2CC[C@H](C[NH3+])O2)CC1 ZINC000052455305 174028940 /nfs/dbraw/zinc/02/89/40/174028940.db2.gz MWZROIWHTLVVSW-NEPJUHHUSA-N 1 3 228.336 0.604 10 0 BCAEHO COc1cc(C(CN)C[NH3+])cc(OC)c1OC ZINC000059286113 174952281 /nfs/dbraw/zinc/95/22/81/174952281.db2.gz RKELFPGLNMFFQA-UHFFFAOYSA-N 1 3 240.303 0.713 10 0 BCAEHO CC(C)[C@@H]([NH3+])CC(=O)NC[C@@H](C)N(C)C1CC1 ZINC000225813719 487629661 /nfs/dbraw/zinc/62/96/61/487629661.db2.gz VORAGBHGQQCSET-PWSUYJOCSA-N 1 3 241.379 0.959 10 0 BCAEHO C[C@@H]1CCC[NH2+][C@@H]1C(=O)NCCN(C)C ZINC000051792054 176111514 /nfs/dbraw/zinc/11/15/14/176111514.db2.gz HVAXWHKOQVBFNY-ZJUUUORDSA-N 1 3 213.325 0.052 10 0 BCAEHO C[C@@H]1CCC[C@@H](C(=O)NC2CCN(C)CC2)[NH2+]1 ZINC000037267778 176112429 /nfs/dbraw/zinc/11/24/29/176112429.db2.gz KZCCFJWGRDZTBK-PWSUYJOCSA-N 1 3 239.363 0.727 10 0 BCAEHO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C1(N)CCC1 ZINC000148442298 176322508 /nfs/dbraw/zinc/32/25/08/176322508.db2.gz MKDZYPXIWPSGCL-GHMZBOCLSA-N 1 3 237.347 0.563 10 0 BCAEHO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C1(N)CCC1 ZINC000148442298 176322509 /nfs/dbraw/zinc/32/25/09/176322509.db2.gz MKDZYPXIWPSGCL-GHMZBOCLSA-N 1 3 237.347 0.563 10 0 BCAEHO C[C@@H]1C[NH2+]C[C@H]1C(=O)N1CCC[C@H]1CN(C)C ZINC000235282637 176329641 /nfs/dbraw/zinc/32/96/41/176329641.db2.gz QPJQBQNVUAKLPW-GRYCIOLGSA-N 1 3 239.363 0.395 10 0 BCAEHO C[C@@H]1C[NH2+]C[C@H]1C(=O)NC[C@H]1CCCN1C ZINC000226082744 176330249 /nfs/dbraw/zinc/33/02/49/176330249.db2.gz KTLJUBFSQJANOW-GMTAPVOTSA-N 1 3 225.336 0.052 10 0 BCAEHO C[C@@H]1C[C@@H](C(=O)N(C)CCN(C)C)CC[C@@H]1[NH3+] ZINC000104199634 176357172 /nfs/dbraw/zinc/35/71/72/176357172.db2.gz OTXQMIFBASUUAA-WOPDTQHZSA-N 1 3 241.379 0.770 10 0 BCAEHO C[C@@H]1C[C@@H](C(=O)N[C@@H]2CCN(C)C2)CC[C@@H]1[NH3+] ZINC000055139806 176359391 /nfs/dbraw/zinc/35/93/91/176359391.db2.gz BUTXQYYCSORYKO-KXNHARMFSA-N 1 3 239.363 0.570 10 0 BCAEHO C[C@@H]1C[C@@H]1CN(C)[C@]1(C[NH3+])CN2CCC1CC2 ZINC000104413598 176392058 /nfs/dbraw/zinc/39/20/58/176392058.db2.gz SLZWVNPSSMCVIL-YRGRVCCFSA-N 1 3 237.391 0.997 10 0 BCAEHO CC(C)C[C@H](N)C(=O)N[C@@H]1CCC[NH2+][C@H]1C ZINC000193523727 487636761 /nfs/dbraw/zinc/63/67/61/487636761.db2.gz DXHDBIXMMBEHCD-GARJFASQSA-N 1 3 227.352 0.617 10 0 BCAEHO C[C@H]1CCC[C@H](C(=O)NC2CCN(C)CC2)[NH2+]1 ZINC000037267776 177129276 /nfs/dbraw/zinc/12/92/76/177129276.db2.gz KZCCFJWGRDZTBK-CMPLNLGQSA-N 1 3 239.363 0.727 10 0 BCAEHO C[C@H]1C[N@@H+]([C@]2(CN)CCSC2)CCCO1 ZINC000061916204 177276163 /nfs/dbraw/zinc/27/61/63/177276163.db2.gz HSMQHRXNXLFLJN-QWRGUYRKSA-N 1 3 230.377 0.932 10 0 BCAEHO C[C@H]1C[N@H+]([C@]2(CN)CCSC2)CCCO1 ZINC000061916204 177276165 /nfs/dbraw/zinc/27/61/65/177276165.db2.gz HSMQHRXNXLFLJN-QWRGUYRKSA-N 1 3 230.377 0.932 10 0 BCAEHO C[C@H]1CN2CCCC[C@@H]2CN1CCOCC[NH3+] ZINC000094440737 177280649 /nfs/dbraw/zinc/28/06/49/177280649.db2.gz ZZTBCNKLYUWYFJ-QWHCGFSZSA-N 1 3 241.379 0.520 10 0 BCAEHO CC(C)[C@H]([NH3+])CC(=O)NCCOCCN(C)C ZINC000232720622 487642271 /nfs/dbraw/zinc/64/22/71/487642271.db2.gz ACBUXWKVXXCVII-LLVKDONJSA-N 1 3 245.367 0.054 10 0 BCAEHO COC[C@H](N[C@H](C)[C@@H]1CC[NH2+]C1)C1CC1 ZINC000400430353 226343453 /nfs/dbraw/zinc/34/34/53/226343453.db2.gz ZYPXVRMBPCERNO-JLLWLGSASA-N 1 3 212.337 0.999 10 0 BCAEHO C[NH2+][C@H](C)CNC(=O)[C@H](N)CC(C)C ZINC000309151339 487669035 /nfs/dbraw/zinc/66/90/35/487669035.db2.gz WKCSHQZPYPFRLE-RKDXNWHRSA-N 1 3 201.314 0.084 10 0 BCAEHO CN[C@H](C)C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000054075506 487683626 /nfs/dbraw/zinc/68/36/26/487683626.db2.gz GOWISBLNXZHFNN-NEPJUHHUSA-N 1 3 239.363 0.681 10 0 BCAEHO CC(C)[C@@H]([NH3+])CC(=O)NCCN1CCCCC1 ZINC000136442275 487736240 /nfs/dbraw/zinc/73/62/40/487736240.db2.gz FUYDJAXYAHMEMG-LBPRGKRZSA-N 1 3 241.379 0.962 10 0 BCAEHO CC(C)[C@@H]([NH3+])CC(=O)N1CCC[C@@H]1CN(C)C ZINC000136455512 487737205 /nfs/dbraw/zinc/73/72/05/487737205.db2.gz PEAMUBYBDRTYDH-NEPJUHHUSA-N 1 3 241.379 0.912 10 0 BCAEHO C([C@H]1CC[NH2+]C1)N1CCN2CCCC[C@H]2C1 ZINC000250834802 487742163 /nfs/dbraw/zinc/74/21/63/487742163.db2.gz KMLKOMKZALRYPL-STQMWFEESA-N 1 3 223.364 0.766 10 0 BCAEHO C[C@H](CNC(=O)[C@H]1CCC[C@H]1C[NH3+])N(C)C ZINC000251121056 487749456 /nfs/dbraw/zinc/74/94/56/487749456.db2.gz RAAZQDULUPTMMR-VWYCJHECSA-N 1 3 227.352 0.428 10 0 BCAEHO CN(C)[C@@H]1CCN(C(=O)CCC(C)(C)[NH3+])C1 ZINC000069634241 487757146 /nfs/dbraw/zinc/75/71/46/487757146.db2.gz XYADGYNTRSSTCM-SNVBAGLBSA-N 1 3 227.352 0.666 10 0 BCAEHO CN1CCC(NC(=O)[C@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000089450501 487817996 /nfs/dbraw/zinc/81/79/96/487817996.db2.gz MBYNDTPNGNIJPP-PWSUYJOCSA-N 1 3 239.363 0.572 10 0 BCAEHO CC1(C)C[NH2+][C@H]1C(=O)N1CCN2CCC[C@H]2C1 ZINC000645943530 487854019 /nfs/dbraw/zinc/85/40/19/487854019.db2.gz QWLSLNTVPAXGOE-QWRGUYRKSA-N 1 3 237.347 0.291 10 0 BCAEHO CCN1CCC[C@H](NC(=O)[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000570282020 323054983 /nfs/dbraw/zinc/05/49/83/323054983.db2.gz CMCRPYCHMOTGMG-AXFHLTTASA-N 1 3 225.336 0.324 10 0 BCAEHO C[C@H](CNC(=O)[C@H]1CC[NH2+]C1)N1CCCC1 ZINC000161070091 323145718 /nfs/dbraw/zinc/14/57/18/323145718.db2.gz IANIBNRXGRXXDU-MNOVXSKESA-N 1 3 225.336 0.196 10 0 BCAEHO CC(C)[C@H](O)CN[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000563880546 323182761 /nfs/dbraw/zinc/18/27/61/323182761.db2.gz UREKNNLMBMMPIC-SDDRHHMPSA-N 1 3 214.353 0.981 10 0 BCAEHO CC(C)[C@H](O)C[NH2+][C@@H](C)[C@H]1CCCNC1 ZINC000563880546 323182762 /nfs/dbraw/zinc/18/27/62/323182762.db2.gz UREKNNLMBMMPIC-SDDRHHMPSA-N 1 3 214.353 0.981 10 0 BCAEHO CCC[C@H](N)C(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC000566197717 326011358 /nfs/dbraw/zinc/01/13/58/326011358.db2.gz OABWKVJBJLDTJR-QWRGUYRKSA-N 1 3 227.352 0.524 10 0 BCAEHO OC1CC(CN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000156137893 326219833 /nfs/dbraw/zinc/21/98/33/326219833.db2.gz OJWXEDZOSYKUIN-CMOBGSAGSA-N 1 3 224.348 0.974 10 0 BCAEHO OC1CC(CN[C@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000156137893 326219834 /nfs/dbraw/zinc/21/98/34/326219834.db2.gz OJWXEDZOSYKUIN-CMOBGSAGSA-N 1 3 224.348 0.974 10 0 BCAEHO CC[C@H](C)[C@@H](N)C(=O)N1CCC[C@H](C[NH2+]C)C1 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229.368 0.994 10 0 BCAEHO CN1CCC(NC(=O)CC[C@H]2CCC[NH2+]2)CC1 ZINC000261551561 536340556 /nfs/dbraw/zinc/34/05/56/536340556.db2.gz MFWHCUYTJQEXPA-LLVKDONJSA-N 1 3 239.363 0.729 10 0 BCAEHO C[NH2+][C@H](C)CNC(=O)[C@H](C)N1CCCCCC1 ZINC000261747490 536399151 /nfs/dbraw/zinc/39/91/51/536399151.db2.gz NDGSHZUQJFBBIF-NEPJUHHUSA-N 1 3 241.379 0.975 10 0 BCAEHO CC(C)(C)OC(=O)[C@H]1CNCC12C[NH2+]C2 ZINC000757185938 586434232 /nfs/dbraw/zinc/43/42/32/586434232.db2.gz VKBAMHGLCAHLML-MRVPVSSYSA-N 1 3 212.293 0.137 10 0 BCAEHO COC(=O)[C@@H]1CCN[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000757206728 586437267 /nfs/dbraw/zinc/43/72/67/586437267.db2.gz AJIBQGJYXOXPND-OUAUKWLOSA-N 1 3 226.320 0.527 10 0 BCAEHO Cc1ccc(N)cc1[C@H]1C[NH2+]CC[C@H]1N ZINC000757236326 586443937 /nfs/dbraw/zinc/44/39/37/586443937.db2.gz OCSYHAZWUMODFY-VXGBXAGGSA-N 1 3 205.305 0.981 10 0 BCAEHO Cc1ccc(N)cc1[C@H]1CNCC[C@H]1[NH3+] ZINC000757236326 586443938 /nfs/dbraw/zinc/44/39/38/586443938.db2.gz OCSYHAZWUMODFY-VXGBXAGGSA-N 1 3 205.305 0.981 10 0 BCAEHO CC(C)OC[C@@H](O)CN(C)[C@@H]1CCC[NH2+]CC1 ZINC000226465474 635432882 /nfs/dbraw/zinc/43/28/82/635432882.db2.gz ZREIEVSWKCFDMA-OLZOCXBDSA-N 1 3 244.379 0.846 10 0 BCAEHO CN1CC[C@@H]2C[N@@H+]([C@@H]3CCC[C@H]3O)C[C@@H]2C1 ZINC000309320240 632005996 /nfs/dbraw/zinc/00/59/96/632005996.db2.gz HAIZIYURMVJNFE-YVECIDJPSA-N 1 3 224.348 0.783 10 0 BCAEHO CN1CC[C@@H]2C[N@H+]([C@@H]3CCC[C@H]3O)C[C@@H]2C1 ZINC000309320240 632006003 /nfs/dbraw/zinc/00/60/03/632006003.db2.gz HAIZIYURMVJNFE-YVECIDJPSA-N 1 3 224.348 0.783 10 0 BCAEHO CC(C)OC[C@H](O)CN1CC[C@@](C)(C[NH3+])C1 ZINC000309456955 633087588 /nfs/dbraw/zinc/08/75/88/633087588.db2.gz SRHRURDGGORAFH-NEPJUHHUSA-N 1 3 230.352 0.443 10 0 BCAEHO CCCCOC[C@H](O)CN1CC[C@@](C)(C[NH3+])C1 ZINC000310276440 634104483 /nfs/dbraw/zinc/10/44/83/634104483.db2.gz JUMOCKLTOKTSGW-OLZOCXBDSA-N 1 3 244.379 0.835 10 0 BCAEHO C[NH+](C)[C@@H]1CCN(c2ccnc(CO)c2)C1 ZINC000062967474 641112357 /nfs/dbraw/zinc/11/23/57/641112357.db2.gz 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/nfs/dbraw/zinc/94/34/80/644943480.db2.gz QNBLOKYTRNKZCP-RWMBFGLXSA-N 1 3 244.379 0.689 10 0 BCAEHO C[C@@H]1C[N@H+](C[C@H]2CCCOC2)C[C@@H]1CN ZINC000708877241 712202047 /nfs/dbraw/zinc/20/20/47/712202047.db2.gz LUCCYQFTMYCSNU-UTUOFQBUSA-N 1 3 212.337 0.940 10 0 BCAEHO C[C@@H]1C[N@@H+](C[C@H]2CCCOC2)C[C@@H]1CN ZINC000708877241 712202052 /nfs/dbraw/zinc/20/20/52/712202052.db2.gz LUCCYQFTMYCSNU-UTUOFQBUSA-N 1 3 212.337 0.940 10 0 BCAEHO C(N[C@H]1CCC[NH2+]CC1)[C@H]1C[C@@H]2COC[C@@H]2O1 ZINC000724543810 711588251 /nfs/dbraw/zinc/58/82/51/711588251.db2.gz HRLDLHXGXRLZQV-XQHKEYJVSA-N 1 3 240.347 0.522 10 0 BCAEHO C(N[C@@H]1CCC[NH2+]CC1)[C@@H]1C[C@@H]2COC[C@@H]2O1 ZINC000724543808 711588264 /nfs/dbraw/zinc/58/82/64/711588264.db2.gz HRLDLHXGXRLZQV-NDBYEHHHSA-N 1 3 240.347 0.522 10 0 BCAEHO C[NH+](C)CC1(O)CCN([C@@H]2CCOC2)CC1 ZINC000710640843 712264778 /nfs/dbraw/zinc/26/47/78/712264778.db2.gz FVFMABXLUFLLOB-LLVKDONJSA-N 1 3 228.336 0.164 10 0 BCAEHO CCN1CC[C@H]([NH3+])[C@@]12CN1CCC2CC1 ZINC000685955262 538900546 /nfs/dbraw/zinc/90/05/46/538900546.db2.gz WYUSERNHGQMRDE-RYUDHWBXSA-N 1 3 209.337 0.504 10 0 BCAEHO CC(C)N1CCN(C[C@H]2C[C@H]([NH3+])C2)CC1 ZINC000675054826 538915339 /nfs/dbraw/zinc/91/53/39/538915339.db2.gz ZZAGFOGWMIHKMZ-HAQNSBGRSA-N 1 3 211.353 0.750 10 0 BCAEHO C[NH2+][C@H](C)C(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000062973596 349503537 /nfs/dbraw/zinc/50/35/37/349503537.db2.gz KVJZQFDVRQZVMI-VXGBXAGGSA-N 1 3 239.363 0.681 10 0 BCAEHO CC(C)(O)CNC[C@H](O)C[NH+]1CCCCC1 ZINC000381001957 398217392 /nfs/dbraw/zinc/21/73/92/398217392.db2.gz OYBQLLFMFJFKPO-NSHDSACASA-N 1 3 230.352 0.194 10 0 BCAEHO C[C@@H]1CCSCC[N@@H+]1C[C@@H](O)CN ZINC000306642187 361758479 /nfs/dbraw/zinc/75/84/79/361758479.db2.gz RYLDKABUXWSVRP-BDAKNGLRSA-N 1 3 204.339 0.133 10 0 BCAEHO C[C@@H]1CCSCC[N@H+]1C[C@@H](O)CN ZINC000306642187 361758485 /nfs/dbraw/zinc/75/84/85/361758485.db2.gz RYLDKABUXWSVRP-BDAKNGLRSA-N 1 3 204.339 0.133 10 0 BCAEHO C[C@@H]1CCSCCN1C[C@@H](O)C[NH3+] ZINC000306642187 361758492 /nfs/dbraw/zinc/75/84/92/361758492.db2.gz RYLDKABUXWSVRP-BDAKNGLRSA-N 1 3 204.339 0.133 10 0 BCAEHO CCN1CCC[C@H]1CN(C)C(=O)[C@@H]1CCC[NH2+]1 ZINC000092629680 398235806 /nfs/dbraw/zinc/23/58/06/398235806.db2.gz QIASJNSQOMGZHD-RYUDHWBXSA-N 1 3 239.363 0.681 10 0 BCAEHO CCC[C@@H](N)C(=O)N1CCC(C)([NH3+])CC1 ZINC000381291041 398249761 /nfs/dbraw/zinc/24/97/61/398249761.db2.gz DBYYPYVKWVMZMW-SECBINFHSA-N 1 3 213.325 0.454 10 0 BCAEHO [NH3+][C@@H]1CC[C@H]2CN(CCc3cn[nH]c3)C[C@H]12 ZINC000381495411 398257614 /nfs/dbraw/zinc/25/76/14/398257614.db2.gz BOKFVPAQBXEJFP-SDDRHHMPSA-N 1 3 220.320 0.621 10 0 BCAEHO [NH3+][C@@H]1CC[C@H]2CN(CCc3cn[nH]c3)C[C@@H]12 ZINC000381495406 398257716 /nfs/dbraw/zinc/25/77/16/398257716.db2.gz BOKFVPAQBXEJFP-QJPTWQEYSA-N 1 3 220.320 0.621 10 0 BCAEHO C[C@H](CNC[C@@H]1C[NH2+]C[C@H]1O)C(C)(C)C ZINC000381555021 398263215 /nfs/dbraw/zinc/26/32/15/398263215.db2.gz OKGZCEWXBRVKIZ-GMTAPVOTSA-N 1 3 214.353 0.839 10 0 BCAEHO C[C@H](C[NH2+]C[C@@H]1CNC[C@H]1O)C(C)(C)C ZINC000381555021 398263218 /nfs/dbraw/zinc/26/32/18/398263218.db2.gz OKGZCEWXBRVKIZ-GMTAPVOTSA-N 1 3 214.353 0.839 10 0 BCAEHO CCC[C@H](N)C(=O)NC[C@@H]1CC[N@H+](C)C1 ZINC000037484916 342938145 /nfs/dbraw/zinc/93/81/45/342938145.db2.gz HGNHTVFUUXBXAE-UWVGGRQHSA-N 1 3 213.325 0.182 10 0 BCAEHO CCC[C@H](N)C(=O)NC[C@@H]1CC[N@@H+](C)C1 ZINC000037484916 342938147 /nfs/dbraw/zinc/93/81/47/342938147.db2.gz HGNHTVFUUXBXAE-UWVGGRQHSA-N 1 3 213.325 0.182 10 0 BCAEHO CCC[C@@H](N)C(=O)N(C)C1CC[NH2+]CC1 ZINC000236889776 343113633 /nfs/dbraw/zinc/11/36/33/343113633.db2.gz UKXNIDZALUGHMF-SNVBAGLBSA-N 1 3 213.325 0.324 10 0 BCAEHO C[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCN2CCC[C@@H]2C1 ZINC000092954346 343149385 /nfs/dbraw/zinc/14/93/85/343149385.db2.gz XFGISJYEOYOXKW-TUAOUCFPSA-N 1 3 237.347 0.291 10 0 BCAEHO C[C@@H]1[NH2+]CC[C@H]1C(=O)N1CCN2CCC[C@@H]2C1 ZINC000092954344 343149499 /nfs/dbraw/zinc/14/94/99/343149499.db2.gz XFGISJYEOYOXKW-QJPTWQEYSA-N 1 3 237.347 0.291 10 0 BCAEHO CCN1CCC[C@H](NC(=O)[C@@H]2CC[NH2+][C@@H]2C)C1 ZINC000092955515 343149729 /nfs/dbraw/zinc/14/97/29/343149729.db2.gz MLNYZCKXIBMOAV-GRYCIOLGSA-N 1 3 239.363 0.585 10 0 BCAEHO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CNC1CC1 ZINC000094460204 343156223 /nfs/dbraw/zinc/15/62/23/343156223.db2.gz BWHSRGOLFAIYFI-ZYHUDNBSSA-N 1 3 237.347 0.434 10 0 BCAEHO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)CNC1CC1 ZINC000094460204 343156225 /nfs/dbraw/zinc/15/62/25/343156225.db2.gz BWHSRGOLFAIYFI-ZYHUDNBSSA-N 1 3 237.347 0.434 10 0 BCAEHO C[C@H](CNC(=O)[C@@H]1CC[NH2+]C1)N1CCCC1 ZINC000161069848 343203894 /nfs/dbraw/zinc/20/38/94/343203894.db2.gz IANIBNRXGRXXDU-GHMZBOCLSA-N 1 3 225.336 0.196 10 0 BCAEHO CC[C@H](O)CN(C)C[C@@H]1CC[N@H+](C)C1 ZINC000070822825 343341343 /nfs/dbraw/zinc/34/13/43/343341343.db2.gz GAHNXBKLQJUTEV-MNOVXSKESA-N 1 3 200.326 0.641 10 0 BCAEHO CC[C@H](O)CN(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000070822825 343341344 /nfs/dbraw/zinc/34/13/44/343341344.db2.gz GAHNXBKLQJUTEV-MNOVXSKESA-N 1 3 200.326 0.641 10 0 BCAEHO CCN1CCC[C@H](NC(=O)[C@@H]([NH3+])C(C)C)C1 ZINC000040503485 343405395 /nfs/dbraw/zinc/40/53/95/343405395.db2.gz XXOAJFFHLCDXKS-QWRGUYRKSA-N 1 3 227.352 0.570 10 0 BCAEHO CCC[NH+]1CCC(N[C@@H]2CCOC[C@@H]2O)CC1 ZINC000624235785 343579144 /nfs/dbraw/zinc/57/91/44/343579144.db2.gz PJYTYIYDBWAWDH-OLZOCXBDSA-N 1 3 242.363 0.600 10 0 BCAEHO COC(=O)CCN1C[C@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000397298994 537823535 /nfs/dbraw/zinc/82/35/35/537823535.db2.gz CNOQDEPHGJGAKT-MXWKQRLJSA-N 1 3 228.336 0.855 10 0 BCAEHO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)CNC1CC1 ZINC000092630264 344299669 /nfs/dbraw/zinc/29/96/69/344299669.db2.gz IPICXTRBNNUXBO-LBPRGKRZSA-N 1 3 239.363 0.681 10 0 BCAEHO CC[N@H+]1CCC[C@H]1CN(C)C(=O)CNC1CC1 ZINC000092630264 344299671 /nfs/dbraw/zinc/29/96/71/344299671.db2.gz IPICXTRBNNUXBO-LBPRGKRZSA-N 1 3 239.363 0.681 10 0 BCAEHO CCC[C@H](N)C(=O)N1CC[C@H]([C@H](C)[NH3+])C1 ZINC000381315082 344495102 /nfs/dbraw/zinc/49/51/02/344495102.db2.gz MRYJRIUZKSAGLI-GUBZILKMSA-N 1 3 213.325 0.310 10 0 BCAEHO CCN1CCC[C@@H](NC(=O)[C@@H](C)C[NH3+])C1 ZINC000044805842 344548512 /nfs/dbraw/zinc/54/85/12/344548512.db2.gz XQSFFKOTJFIFNF-VHSXEESVSA-N 1 3 213.325 0.182 10 0 BCAEHO CCC[C@H](N)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000037649669 344555508 /nfs/dbraw/zinc/55/55/08/344555508.db2.gz UQECCAKCLSUPFL-PWSUYJOCSA-N 1 3 239.363 0.714 10 0 BCAEHO CCC[C@H](N)C(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000037649669 344555511 /nfs/dbraw/zinc/55/55/11/344555511.db2.gz UQECCAKCLSUPFL-PWSUYJOCSA-N 1 3 239.363 0.714 10 0 BCAEHO CCN1CCC[C@H](NC(=O)[C@H](C)C[NH2+]C)C1 ZINC000245471143 345227926 /nfs/dbraw/zinc/22/79/26/345227926.db2.gz XHGNUQGKZWXOPJ-MNOVXSKESA-N 1 3 227.352 0.442 10 0 BCAEHO COC[C@H](C)C[N@@H+]1C[C@H](C)[C@@H](CN)C1 ZINC000634998414 345198308 /nfs/dbraw/zinc/19/83/08/345198308.db2.gz FKUJQKFNCOZWIW-VWYCJHECSA-N 1 3 200.326 0.796 10 0 BCAEHO COC[C@H](C)C[N@H+]1C[C@H](C)[C@@H](CN)C1 ZINC000634998414 345198310 /nfs/dbraw/zinc/19/83/10/345198310.db2.gz FKUJQKFNCOZWIW-VWYCJHECSA-N 1 3 200.326 0.796 10 0 BCAEHO COC[C@H](C)C[N@@H+]1C[C@H](C)[C@H](CN)C1 ZINC000634998413 345198458 /nfs/dbraw/zinc/19/84/58/345198458.db2.gz FKUJQKFNCOZWIW-OUAUKWLOSA-N 1 3 200.326 0.796 10 0 BCAEHO COC[C@H](C)C[N@H+]1C[C@H](C)[C@H](CN)C1 ZINC000634998413 345198461 /nfs/dbraw/zinc/19/84/61/345198461.db2.gz FKUJQKFNCOZWIW-OUAUKWLOSA-N 1 3 200.326 0.796 10 0 BCAEHO CCC[C@H](CCO)[NH2+]C1CCNCC1 ZINC000635003472 345206146 /nfs/dbraw/zinc/20/61/46/345206146.db2.gz JWSOTRPNAUWOBK-SNVBAGLBSA-N 1 3 200.326 0.879 10 0 BCAEHO CCC[C@H](CCO)NC1CC[NH2+]CC1 ZINC000635003472 345206147 /nfs/dbraw/zinc/20/61/47/345206147.db2.gz JWSOTRPNAUWOBK-SNVBAGLBSA-N 1 3 200.326 0.879 10 0 BCAEHO CCC[C@H](N)C(=O)NCC1CC[NH2+]CC1 ZINC000225289846 345750419 /nfs/dbraw/zinc/75/04/19/345750419.db2.gz RHBVJORSGLDWCF-JTQLQIEISA-N 1 3 213.325 0.230 10 0 BCAEHO CCC[C@H](N)C(=O)N[C@H](C)CCCC[NH3+] ZINC000381457463 345940759 /nfs/dbraw/zinc/94/07/59/345940759.db2.gz JVENDNCTJQIIOU-ZJUUUORDSA-N 1 3 215.341 0.748 10 0 BCAEHO CN(C)[C@@H]1CCN(C(=O)CCCC[NH3+])C1 ZINC000069734342 349957255 /nfs/dbraw/zinc/95/72/55/349957255.db2.gz MDWJRZLVPJLCKH-SNVBAGLBSA-N 1 3 213.325 0.278 10 0 BCAEHO COC(=O)CCN1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000601325473 347207058 /nfs/dbraw/zinc/20/70/58/347207058.db2.gz CTXYITVUWVUQHN-RKDXNWHRSA-N 1 3 200.282 0.076 10 0 BCAEHO COC(=O)CCCN1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000601326451 347209265 /nfs/dbraw/zinc/20/92/65/347209265.db2.gz MYQHNMDAEKBCCJ-UWVGGRQHSA-N 1 3 214.309 0.466 10 0 BCAEHO O[C@H](CNC[C@H]1CCC[C@H]1O)C[NH+]1CCCC1 ZINC000250821387 362823446 /nfs/dbraw/zinc/82/34/46/362823446.db2.gz GDOUPAYQYPQPMN-JHJVBQTASA-N 1 3 242.363 0.194 10 0 BCAEHO CN(C)CCNC(=O)C[C@H]1CCC[NH2+]C1 ZINC000054290491 347640335 /nfs/dbraw/zinc/64/03/35/347640335.db2.gz SMQDTLNQKRVNBF-SNVBAGLBSA-N 1 3 213.325 0.054 10 0 BCAEHO C[C@@H](NC1CC1)C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000383213315 347967253 /nfs/dbraw/zinc/96/72/53/347967253.db2.gz ZIZHWLSYOZRTMN-MWLCHTKSSA-N 1 3 225.336 0.289 10 0 BCAEHO c1cc(N2CCNCC2)c2c([nH+]1)CCC2 ZINC000725244402 537997532 /nfs/dbraw/zinc/99/75/32/537997532.db2.gz NPKMTXFXVGIGQU-UHFFFAOYSA-N 1 3 203.289 0.980 10 0 BCAEHO CC(C)[C@H]1CN([C@H]2CC[NH2+]C2)CCN1C ZINC000251450158 362877435 /nfs/dbraw/zinc/87/74/35/362877435.db2.gz WYMRAFXCVVUKKI-NWDGAFQWSA-N 1 3 211.353 0.620 10 0 BCAEHO C[C@@H](CN1CCSC[C@H]1C)C(N)=[NH2+] ZINC000251704248 362900014 /nfs/dbraw/zinc/90/00/14/362900014.db2.gz JBPGQCCKYLLMBL-JGVFFNPUSA-N 1 3 201.339 0.996 10 0 BCAEHO CN[C@H](C)C(=O)N[C@@H](C)CC[NH+](C)C ZINC000054076649 348879150 /nfs/dbraw/zinc/87/91/50/348879150.db2.gz IBHYTXWPKVCYTA-DTWKUNHWSA-N 1 3 201.314 0.051 10 0 BCAEHO CC[NH+](CC)C[C@@H](C)NC(=O)[C@@H](C)NC ZINC000054076843 348880344 /nfs/dbraw/zinc/88/03/44/348880344.db2.gz LIFBWEQDDOPEGM-NXEZZACHSA-N 1 3 215.341 0.441 10 0 BCAEHO CN1CCC(C(=O)N[C@]23CC[C@@H]2C[NH2+]C3)CC1 ZINC000616573740 349073119 /nfs/dbraw/zinc/07/31/19/349073119.db2.gz SPLLOWMPCZQWIZ-YPMHNXCESA-N 1 3 237.347 0.196 10 0 BCAEHO CC[C@@H](N)C(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000250234549 349168508 /nfs/dbraw/zinc/16/85/08/349168508.db2.gz HBXIQPSTUIZWQX-OUAUKWLOSA-N 1 3 225.336 0.419 10 0 BCAEHO CC[C@@H](N)C(=O)N1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC000250234549 349168510 /nfs/dbraw/zinc/16/85/10/349168510.db2.gz HBXIQPSTUIZWQX-OUAUKWLOSA-N 1 3 225.336 0.419 10 0 BCAEHO C[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCN2CCC[C@H]2C1 ZINC000252613372 349206988 /nfs/dbraw/zinc/20/69/88/349206988.db2.gz XFGISJYEOYOXKW-SRVKXCTJSA-N 1 3 237.347 0.291 10 0 BCAEHO C[C@@]1(C(=O)Nc2ccnn2C2CNC2)CCC[NH2+]1 ZINC000725258478 538075340 /nfs/dbraw/zinc/07/53/40/538075340.db2.gz QGYVZGUSWSEYDR-LBPRGKRZSA-N 1 3 249.318 0.108 10 0 BCAEHO CC[C@H]([NH3+])CC(=O)Nc1ccnn1C1CNC1 ZINC000725258666 538076535 /nfs/dbraw/zinc/07/65/35/538076535.db2.gz WRVGGHBQCDIOFZ-QMMMGPOBSA-N 1 3 237.307 0.093 10 0 BCAEHO C[C@H]1C[NH2+]CCN1c1cc2c(nn1)CCN(C)C2 ZINC000725264863 538091813 /nfs/dbraw/zinc/09/18/13/538091813.db2.gz NDERRHXITNCGQV-JTQLQIEISA-N 1 3 247.346 0.263 10 0 BCAEHO CCN1CCC[C@H]1CN(C)C(=O)[C@H](C)[NH2+]C ZINC000252583919 350912871 /nfs/dbraw/zinc/91/28/71/350912871.db2.gz YXKVOCIHHPFKTM-QWRGUYRKSA-N 1 3 227.352 0.537 10 0 BCAEHO CCC[C@@H](N)C(=O)NC[C@@H](C)[NH+]1CCCC1 ZINC000161075302 351025541 /nfs/dbraw/zinc/02/55/41/351025541.db2.gz QMNCBEMYGSFEQB-GHMZBOCLSA-N 1 3 227.352 0.714 10 0 BCAEHO CNc1cccc([C@@H]2CN(CC[NH3+])CCN2)c1 ZINC000616633541 351115275 /nfs/dbraw/zinc/11/52/75/351115275.db2.gz BXMYWOYUJYYVCO-ZDUSSCGKSA-N 1 3 234.347 0.633 10 0 BCAEHO Nc1ccccc1[C@@H]1CN(CC[NH3+])CCN1 ZINC000616633985 351116372 /nfs/dbraw/zinc/11/63/72/351116372.db2.gz IQTQPYIPPFWPGQ-LBPRGKRZSA-N 1 3 220.320 0.174 10 0 BCAEHO CNc1cccc([C@H]2CN(CC[NH3+])CCN2)c1 ZINC000616652135 351190010 /nfs/dbraw/zinc/19/00/10/351190010.db2.gz BXMYWOYUJYYVCO-CYBMUJFWSA-N 1 3 234.347 0.633 10 0 BCAEHO [NH3+]CCN1CCN[C@@H](c2cccc(CO)c2)C1 ZINC000616652367 351191022 /nfs/dbraw/zinc/19/10/22/351191022.db2.gz FCTNIXHJSBNRSE-CYBMUJFWSA-N 1 3 235.331 0.084 10 0 BCAEHO CNc1ccccc1[C@H]1CNCCN1CC[NH3+] ZINC000616637533 351134287 /nfs/dbraw/zinc/13/42/87/351134287.db2.gz YQAOHZNDRIPLPH-CYBMUJFWSA-N 1 3 234.347 0.633 10 0 BCAEHO Nc1ccc([C@H]2CN(CC[NH3+])CCN2)cc1 ZINC000616658199 351196375 /nfs/dbraw/zinc/19/63/75/351196375.db2.gz YJGOFZNOMURFFS-GFCCVEGCSA-N 1 3 220.320 0.174 10 0 BCAEHO C[C@H]1[C@@H](O)CCCN1CCC(C)(C)[NH3+] ZINC000307253101 351783988 /nfs/dbraw/zinc/78/39/88/351783988.db2.gz UOKXGJFQULGEHT-UWVGGRQHSA-N 1 3 200.326 0.959 10 0 BCAEHO CCN1CCC[C@H](NC(=O)C[C@@H]2CCC[NH2+]2)C1 ZINC000042171141 352615081 /nfs/dbraw/zinc/61/50/81/352615081.db2.gz LZVICXGZDIYOKQ-RYUDHWBXSA-N 1 3 239.363 0.729 10 0 BCAEHO CN1CCC(OC(=O)[C@@H]2CCC[NH2+]C2)CC1 ZINC000041018786 188118108 /nfs/dbraw/zinc/11/81/08/188118108.db2.gz NXCAYVBSFJPAQX-SNVBAGLBSA-N 1 3 226.320 0.623 10 0 BCAEHO CC(C)COC[C@H](O)CN[C@H](C)CC[NH+](C)C ZINC000049557141 188124306 /nfs/dbraw/zinc/12/43/06/188124306.db2.gz KQGFXQQBOUKIEQ-CHWSQXEVSA-N 1 3 246.395 0.950 10 0 BCAEHO CC(C)[N@@H+]1CC[C@@](CN)(N2CCCC2)C1 ZINC000045658326 188152195 /nfs/dbraw/zinc/15/21/95/188152195.db2.gz WKCCLSQEPUZYBH-LBPRGKRZSA-N 1 3 211.353 0.894 10 0 BCAEHO CC(C)[N@H+]1CC[C@@](CN)(N2CCCC2)C1 ZINC000045658326 188152196 /nfs/dbraw/zinc/15/21/96/188152196.db2.gz WKCCLSQEPUZYBH-LBPRGKRZSA-N 1 3 211.353 0.894 10 0 BCAEHO CCN1CCC[C@@H]1CNC(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000250320561 353269455 /nfs/dbraw/zinc/26/94/55/353269455.db2.gz NBXAIZHTYVEYSW-SDDRHHMPSA-N 1 3 239.363 0.714 10 0 BCAEHO CCN1CCC[C@@H](NC(=O)[C@@H]2CC[NH2+]C2)C1 ZINC000062115831 353551354 /nfs/dbraw/zinc/55/13/54/353551354.db2.gz UETQVLXZCHWPDN-GHMZBOCLSA-N 1 3 225.336 0.196 10 0 BCAEHO CCN1CCC[C@@H](NC(=O)[C@]2(C)CC[NH2+]C2)C1 ZINC000062898886 353572909 /nfs/dbraw/zinc/57/29/09/353572909.db2.gz CVTXZLYHMCHHKH-DGCLKSJQSA-N 1 3 239.363 0.587 10 0 BCAEHO C[C@H]1C[NH+](C[C@@H](O)CN)C[C@H](C)S1 ZINC000301050173 363394801 /nfs/dbraw/zinc/39/48/01/363394801.db2.gz SEHDKMXCHCXOED-CIUDSAMLSA-N 1 3 204.339 0.132 10 0 BCAEHO CC(C)C[C@H](CN(C)C)NC(=O)[C@H](C)C[NH3+] ZINC000044806483 191686624 /nfs/dbraw/zinc/68/66/24/191686624.db2.gz LYJOIVRSSWEKIB-GHMZBOCLSA-N 1 3 229.368 0.674 10 0 BCAEHO NC(=O)C1CC[NH+]([C@H]2CCC[C@@H]2N)CC1 ZINC000040431149 181217364 /nfs/dbraw/zinc/21/73/64/181217364.db2.gz MHPQGWMFHPHOEA-UWVGGRQHSA-N 1 3 211.309 0.064 10 0 BCAEHO CN(C[C@@H]1CC[C@H](CO)O1)C1CC[NH+](C)CC1 ZINC000675058889 538482469 /nfs/dbraw/zinc/48/24/69/538482469.db2.gz BDQIFLAXBADJJK-QWHCGFSZSA-N 1 3 242.363 0.552 10 0 BCAEHO Cn1cc(CCC2=C[C@@H]([NH3+])CNC2)cn1 ZINC000675079399 538517284 /nfs/dbraw/zinc/51/72/84/538517284.db2.gz YGNGHOWINAHTFV-LLVKDONJSA-N 1 3 206.293 0.210 10 0 BCAEHO CCC[C@H](N)C(=O)N1CC[C@H]([NH3+])C[C@H]1C ZINC000390445586 357093695 /nfs/dbraw/zinc/09/36/95/357093695.db2.gz XJVSAUFVIVUECJ-UTLUCORTSA-N 1 3 213.325 0.452 10 0 BCAEHO C[C@@H]1C[NH2+]C[C@@H](C)C1N1CCCOCC1 ZINC000685950475 538893975 /nfs/dbraw/zinc/89/39/75/538893975.db2.gz AACLQRIMKWHEEC-GHMZBOCLSA-N 1 3 212.337 0.953 10 0 BCAEHO C[C@@H]1CNC[C@@H](C)C1[N@@H+]1CCCOCC1 ZINC000685950475 538893976 /nfs/dbraw/zinc/89/39/76/538893976.db2.gz AACLQRIMKWHEEC-GHMZBOCLSA-N 1 3 212.337 0.953 10 0 BCAEHO C[C@@H]1CNC[C@@H](C)C1[N@H+]1CCCOCC1 ZINC000685950475 538893977 /nfs/dbraw/zinc/89/39/77/538893977.db2.gz AACLQRIMKWHEEC-GHMZBOCLSA-N 1 3 212.337 0.953 10 0 BCAEHO CCN1CCC[C@H](NC(=O)[C@@H](C)C[NH2+]C)C1 ZINC000086067781 357802385 /nfs/dbraw/zinc/80/23/85/357802385.db2.gz XHGNUQGKZWXOPJ-QWRGUYRKSA-N 1 3 227.352 0.442 10 0 BCAEHO CCC[C@@H](C(=O)N1CC[C@@H]([NH+](C)C)C1)N(C)C ZINC000133056024 325264059 /nfs/dbraw/zinc/26/40/59/325264059.db2.gz SIAMNQFQKKEOGF-NEPJUHHUSA-N 1 3 241.379 0.879 10 0 BCAEHO CCC[C@@H](N)C(=O)NCC1CC[NH+](CC)CC1 ZINC000044526765 358390106 /nfs/dbraw/zinc/39/01/06/358390106.db2.gz ATPZMVOQBRRFCO-GFCCVEGCSA-N 1 3 241.379 0.962 10 0 BCAEHO C[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CC[C@H](N(C)C)C1 ZINC000086271939 358580234 /nfs/dbraw/zinc/58/02/34/358580234.db2.gz RSPBLKXBAAZIAG-DCAQKATOSA-N 1 3 225.336 0.147 10 0 BCAEHO [NH3+]C[C@H]1CCCN1C(=O)C[C@@H]1CSCCN1 ZINC000131094198 358659640 /nfs/dbraw/zinc/65/96/40/358659640.db2.gz QTVQLZPDLXBMCF-NXEZZACHSA-N 1 3 243.376 0.031 10 0 BCAEHO C[C@@H]1CN(CCC(C)(C)[NH3+])CC[C@@H]1O ZINC000306187758 359003338 /nfs/dbraw/zinc/00/33/38/359003338.db2.gz FFOQMGUMAJBGSQ-ZJUUUORDSA-N 1 3 200.326 0.817 10 0 BCAEHO C[C@@H]1CN(C[C@](C)(O)C[NH3+])C[C@@H](C)S1 ZINC000306213437 359307474 /nfs/dbraw/zinc/30/74/74/359307474.db2.gz WWPXKMNWLRRXHJ-OPRDCNLKSA-N 1 3 218.366 0.522 10 0 BCAEHO C[C@@H]1C[NH+](C[C@](C)(O)CN)C[C@@H](C)S1 ZINC000306213437 359307481 /nfs/dbraw/zinc/30/74/81/359307481.db2.gz WWPXKMNWLRRXHJ-OPRDCNLKSA-N 1 3 218.366 0.522 10 0 BCAEHO CCn1cc([C@H]2NCC23CC[NH2+]CC3)cn1 ZINC000536960564 360014224 /nfs/dbraw/zinc/01/42/24/360014224.db2.gz RQLBCZIOYZDJTJ-LLVKDONJSA-N 1 3 220.320 0.917 10 0 BCAEHO CC(C)[C@H](O)CN1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000300834369 360530839 /nfs/dbraw/zinc/53/08/39/360530839.db2.gz CYZKOGGWDDOCDV-GMTAPVOTSA-N 1 3 200.326 0.672 10 0 BCAEHO CC(C)[C@H](O)CN1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000300834376 360531430 /nfs/dbraw/zinc/53/14/30/360531430.db2.gz CYZKOGGWDDOCDV-HBNTYKKESA-N 1 3 200.326 0.672 10 0 BCAEHO C[C@@H]1C[N@@H+](C[C@H](O)CN)C[C@H](C)S1 ZINC000069908427 361001358 /nfs/dbraw/zinc/00/13/58/361001358.db2.gz SEHDKMXCHCXOED-HRDYMLBCSA-N 1 3 204.339 0.132 10 0 BCAEHO C[C@@H]1C[N@H+](C[C@H](O)CN)C[C@H](C)S1 ZINC000069908427 361001361 /nfs/dbraw/zinc/00/13/61/361001361.db2.gz SEHDKMXCHCXOED-HRDYMLBCSA-N 1 3 204.339 0.132 10 0 BCAEHO NCC(=O)N1CCC2(C1)CCC(C[NH3+])CC2 ZINC000095077530 181347544 /nfs/dbraw/zinc/34/75/44/181347544.db2.gz HIQFIIYNZVGOPY-UHFFFAOYSA-N 1 3 225.336 0.313 10 0 BCAEHO NCC1(C[N@@H+]2CCC[C@@H]2CO)CCCC1 ZINC000051254868 181359188 /nfs/dbraw/zinc/35/91/88/181359188.db2.gz MDRFDPOJXCGRIC-LLVKDONJSA-N 1 3 212.337 0.962 10 0 BCAEHO NCC1(C[N@H+]2CCC[C@@H]2CO)CCCC1 ZINC000051254868 181359190 /nfs/dbraw/zinc/35/91/90/181359190.db2.gz MDRFDPOJXCGRIC-LLVKDONJSA-N 1 3 212.337 0.962 10 0 BCAEHO NCC1(C[NH+]2CCC(O)CC2)CCOCC1 ZINC000052180597 181359297 /nfs/dbraw/zinc/35/92/97/181359297.db2.gz NEHVJIYWDNHYPQ-UHFFFAOYSA-N 1 3 228.336 0.199 10 0 BCAEHO CC(C)N(C)CC(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000170864402 364543922 /nfs/dbraw/zinc/54/39/22/364543922.db2.gz XEGFFZAZSXAJOE-NSHDSACASA-N 1 3 227.352 0.489 10 0 BCAEHO CCN1CCN(C[C@@H]2CC[C@H](C[NH3+])O2)CC1 ZINC000052422398 541514520 /nfs/dbraw/zinc/51/45/20/541514520.db2.gz CRMGOTWCEWFYDY-NEPJUHHUSA-N 1 3 227.352 0.130 10 0 BCAEHO CCC[C@H](N)C(=O)N1CC[C@H](C[NH2+]C)C1 ZINC000381148945 367356616 /nfs/dbraw/zinc/35/66/16/367356616.db2.gz ACCAJTZEMIRQKF-ZJUUUORDSA-N 1 3 213.325 0.182 10 0 BCAEHO CCC[C@@H](N)C(=O)N[C@H](C)CCCC[NH3+] ZINC000381457458 367409238 /nfs/dbraw/zinc/40/92/38/367409238.db2.gz JVENDNCTJQIIOU-NXEZZACHSA-N 1 3 215.341 0.748 10 0 BCAEHO CCC[C@H](N)C(=O)N[C@@H]1CC[NH2+]C[C@H]1C ZINC000381234716 367367973 /nfs/dbraw/zinc/36/79/73/367367973.db2.gz LQUGBHSHMCQIPW-KXUCPTDWSA-N 1 3 213.325 0.228 10 0 BCAEHO COC[C@](C)(O)CN[C@@H]1CCC[NH2+]CC1 ZINC000382560162 367540166 /nfs/dbraw/zinc/54/01/66/367540166.db2.gz LIADPVLHUMLAAL-GHMZBOCLSA-N 1 3 216.325 0.116 10 0 BCAEHO [NH3+]C[C@@H]1CC[C@@H](CN2CCSCC2)O1 ZINC000052425645 181436421 /nfs/dbraw/zinc/43/64/21/181436421.db2.gz GFAHMFKUHSUJQK-UWVGGRQHSA-N 1 3 216.350 0.542 10 0 BCAEHO COCCOCCN1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000631838745 369122644 /nfs/dbraw/zinc/12/26/44/369122644.db2.gz UNSOWAVXWYRZMZ-MNOVXSKESA-N 1 3 216.325 0.176 10 0 BCAEHO C[C@@H]1CN(CCOC[C@H]2CCCO2)C[C@@H]1C[NH3+] ZINC000631840876 369311528 /nfs/dbraw/zinc/31/15/28/369311528.db2.gz VSCOAATYTSFOGK-FRRDWIJNSA-N 1 3 242.363 0.709 10 0 BCAEHO [NH3+]Cc1ccc(C(=O)NCCN2CCCC2)nc1 ZINC000104211965 181480826 /nfs/dbraw/zinc/48/08/26/181480826.db2.gz BAIMTUYTRBTJDZ-UHFFFAOYSA-N 1 3 248.330 0.366 10 0 BCAEHO CC(C)[NH+]1CCC(N[C@H]2CCOC[C@H]2O)CC1 ZINC000624235153 371422707 /nfs/dbraw/zinc/42/27/07/371422707.db2.gz FOTXPWFOYJQWMZ-QWHCGFSZSA-N 1 3 242.363 0.599 10 0 BCAEHO CC[C@H](C[NH3+])[C@]1(O)CCN(C)[C@@H](C)C1 ZINC000226854958 371752237 /nfs/dbraw/zinc/75/22/37/371752237.db2.gz WELBDZNRTLDYSS-AXFHLTTASA-N 1 3 200.326 0.817 10 0 BCAEHO COCC[C@H](C)[N@@H+]1C[C@H](C)[C@@H](CN)C1 ZINC000631839219 372633065 /nfs/dbraw/zinc/63/30/65/372633065.db2.gz BZTCCDBVFMCMRV-DCAQKATOSA-N 1 3 200.326 0.938 10 0 BCAEHO COCC[C@H](C)[N@H+]1C[C@H](C)[C@@H](CN)C1 ZINC000631839219 372633070 /nfs/dbraw/zinc/63/30/70/372633070.db2.gz BZTCCDBVFMCMRV-DCAQKATOSA-N 1 3 200.326 0.938 10 0 BCAEHO CCOCCC[N@@H+]1C[C@H](C)[C@H](CN)C1 ZINC000631839194 372633841 /nfs/dbraw/zinc/63/38/41/372633841.db2.gz BQOKTBCBSJQOAW-WDEREUQCSA-N 1 3 200.326 0.940 10 0 BCAEHO CCOCCC[N@H+]1C[C@H](C)[C@H](CN)C1 ZINC000631839194 372633845 /nfs/dbraw/zinc/63/38/45/372633845.db2.gz BQOKTBCBSJQOAW-WDEREUQCSA-N 1 3 200.326 0.940 10 0 BCAEHO C[C@H]1CN(CCOCC2CC2)C[C@H]1C[NH3+] ZINC000631839778 372634526 /nfs/dbraw/zinc/63/45/26/372634526.db2.gz KSGDMLNTHWHVQS-CMPLNLGQSA-N 1 3 212.337 0.940 10 0 BCAEHO COCCCC[N@@H+]1C[C@@H](C)[C@@H](CN)C1 ZINC000631840037 372635988 /nfs/dbraw/zinc/63/59/88/372635988.db2.gz OUYJDRLELVIVHW-MNOVXSKESA-N 1 3 200.326 0.940 10 0 BCAEHO COCCCC[N@H+]1C[C@@H](C)[C@@H](CN)C1 ZINC000631840037 372635993 /nfs/dbraw/zinc/63/59/93/372635993.db2.gz OUYJDRLELVIVHW-MNOVXSKESA-N 1 3 200.326 0.940 10 0 BCAEHO C[C@H]1C[N@H+](CC2CCOCC2)C[C@@H]1CN ZINC000631839705 372636917 /nfs/dbraw/zinc/63/69/17/372636917.db2.gz JTWNXBQRIPXPCI-JQWIXIFHSA-N 1 3 212.337 0.940 10 0 BCAEHO C[C@H]1C[N@@H+](CC2CCOCC2)C[C@@H]1CN ZINC000631839705 372636922 /nfs/dbraw/zinc/63/69/22/372636922.db2.gz JTWNXBQRIPXPCI-JQWIXIFHSA-N 1 3 212.337 0.940 10 0 BCAEHO CC(C)OCCN1C[C@H](C)[C@H](C[NH3+])C1 ZINC000631844405 372642615 /nfs/dbraw/zinc/64/26/15/372642615.db2.gz XCUCKIVBIPXZDK-WDEREUQCSA-N 1 3 200.326 0.938 10 0 BCAEHO CC(C)C[C@H](CO)NC[C@H](O)C[NH+]1CCCC1 ZINC000040777177 373700688 /nfs/dbraw/zinc/70/06/88/373700688.db2.gz XUVMWHQJWOGKEC-OLZOCXBDSA-N 1 3 244.379 0.440 10 0 BCAEHO OC1(CN2CCO[C@H]3CCC[C@H]32)CC[NH2+]CC1 ZINC000051016353 183018861 /nfs/dbraw/zinc/01/88/61/183018861.db2.gz SKPCDHBVKIZULE-NEPJUHHUSA-N 1 3 240.347 0.354 10 0 BCAEHO OCCCN1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000037917710 183053853 /nfs/dbraw/zinc/05/38/53/183053853.db2.gz YPBFTFSJSRGUNH-NWDGAFQWSA-N 1 3 212.337 0.833 10 0 BCAEHO OCCN1CCN(CCC[C@H]2CCC[NH2+]2)CC1 ZINC000058267126 183074502 /nfs/dbraw/zinc/07/45/02/183074502.db2.gz IXGLOHNVNKAJQY-CYBMUJFWSA-N 1 3 241.379 0.129 10 0 BCAEHO OC[C@@H]([C@H]1CC=CCC1)N1CCC[NH2+]CC1 ZINC000038117502 183114823 /nfs/dbraw/zinc/11/48/23/183114823.db2.gz NMVWNLHHTIGZDK-STQMWFEESA-N 1 3 224.348 0.999 10 0 BCAEHO OC[C@@]1([N@@H+]2CCCNCC2)CCSC1 ZINC000038117146 183134365 /nfs/dbraw/zinc/13/43/65/183134365.db2.gz GRPKNPKFWXTOIU-JTQLQIEISA-N 1 3 216.350 0.150 10 0 BCAEHO OC[C@@]1([N@H+]2CCCNCC2)CCSC1 ZINC000038117146 183134366 /nfs/dbraw/zinc/13/43/66/183134366.db2.gz GRPKNPKFWXTOIU-JTQLQIEISA-N 1 3 216.350 0.150 10 0 BCAEHO CCCN(CC(=O)N1CCC[NH2+]CC1)C1CC1 ZINC000042354526 169092618 /nfs/dbraw/zinc/09/26/18/169092618.db2.gz FDKOESPSLJFIJO-UHFFFAOYSA-N 1 3 239.363 0.683 10 0 BCAEHO CCC[NH+]1CCC(NCCC(=O)NCC)CC1 ZINC000051759019 169188718 /nfs/dbraw/zinc/18/87/18/169188718.db2.gz MMGBETXULDCEMW-UHFFFAOYSA-N 1 3 241.379 0.977 10 0 BCAEHO CCCN1CCN([C@@H]2CCC[C@H]2[NH3+])CC1 ZINC000019257150 169203480 /nfs/dbraw/zinc/20/34/80/169203480.db2.gz SCGPOYLIOLTDRB-VXGBXAGGSA-N 1 3 211.353 0.894 10 0 BCAEHO c1cc(CC[NH2+]C2CCNCC2)ccn1 ZINC000038041469 183338805 /nfs/dbraw/zinc/33/88/05/183338805.db2.gz PXZAUKIZDZFEKQ-UHFFFAOYSA-N 1 3 205.305 0.966 10 0 BCAEHO c1cc(CCNC2CC[NH2+]CC2)ccn1 ZINC000038041469 183338806 /nfs/dbraw/zinc/33/88/06/183338806.db2.gz PXZAUKIZDZFEKQ-UHFFFAOYSA-N 1 3 205.305 0.966 10 0 BCAEHO CCCNC(=O)C[NH2+][C@@H](C)[C@H]1CCCN(C)C1 ZINC000036780838 169227243 /nfs/dbraw/zinc/22/72/43/169227243.db2.gz YQVRNGPBLDZVFF-RYUDHWBXSA-N 1 3 241.379 0.833 10 0 BCAEHO CCC[NH2+][C@H]1CCN(C2CCN(C)CC2)C1=O ZINC000049648124 169292156 /nfs/dbraw/zinc/29/21/56/169292156.db2.gz KIYRQPYDWPLNEC-LBPRGKRZSA-N 1 3 239.363 0.681 10 0 BCAEHO CCC[C@@H](N)C(=O)N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000070822564 169386809 /nfs/dbraw/zinc/38/68/09/169386809.db2.gz PNVVTVXFWQKTFV-GHMZBOCLSA-N 1 3 227.352 0.524 10 0 BCAEHO CCC[C@@H](N)C(=O)N(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000070822564 169386810 /nfs/dbraw/zinc/38/68/10/169386810.db2.gz PNVVTVXFWQKTFV-GHMZBOCLSA-N 1 3 227.352 0.524 10 0 BCAEHO CCC[C@@H](N)C(=O)N[C@H](C)C[NH+](CC)CC ZINC000041680160 169390907 /nfs/dbraw/zinc/39/09/07/169390907.db2.gz MMCWRZDXTYYGDP-GHMZBOCLSA-N 1 3 229.368 0.960 10 0 BCAEHO CCC[C@@H](N)C(=O)N[C@@H](C)C[NH+](CC)CC ZINC000041680158 169391050 /nfs/dbraw/zinc/39/10/50/169391050.db2.gz MMCWRZDXTYYGDP-WDEREUQCSA-N 1 3 229.368 0.960 10 0 BCAEHO CNC(=O)C[C@H](C)N[C@@H]1CC[C@@H]([NH+](C)C)C1 ZINC000222736675 134334252 /nfs/dbraw/zinc/33/42/52/134334252.db2.gz LPYFFVNPXHCPNE-HBNTYKKESA-N 1 3 227.352 0.583 10 0 BCAEHO CNC(=O)C[C@H](C)[NH2+][C@@H]1CC[C@@H](N(C)C)C1 ZINC000222736675 134334253 /nfs/dbraw/zinc/33/42/53/134334253.db2.gz LPYFFVNPXHCPNE-HBNTYKKESA-N 1 3 227.352 0.583 10 0 BCAEHO C[C@H](CC(N)=O)N[C@@H]1CC[C@@H]([NH+](C)C)C1 ZINC000222739421 134334274 /nfs/dbraw/zinc/33/42/74/134334274.db2.gz KIYZYXFCQAHWNL-OPRDCNLKSA-N 1 3 213.325 0.323 10 0 BCAEHO C[C@H](CC(N)=O)[NH2+][C@@H]1CC[C@@H](N(C)C)C1 ZINC000222739421 134334275 /nfs/dbraw/zinc/33/42/75/134334275.db2.gz KIYZYXFCQAHWNL-OPRDCNLKSA-N 1 3 213.325 0.323 10 0 BCAEHO NC[C@]1(O)CCC[N@H+](Cc2ccccc2)C1 ZINC000035278858 383848728 /nfs/dbraw/zinc/84/87/28/383848728.db2.gz WVQWWLBOCUVBAF-CYBMUJFWSA-N 1 3 220.316 0.972 10 0 BCAEHO NC[C@]1(O)CCC[N@@H+](Cc2ccccc2)C1 ZINC000035278858 383848733 /nfs/dbraw/zinc/84/87/33/383848733.db2.gz WVQWWLBOCUVBAF-CYBMUJFWSA-N 1 3 220.316 0.972 10 0 BCAEHO CCC[C@@H](N)C(=O)N1CCC([C@H](C)[NH3+])CC1 ZINC000178407568 384171107 /nfs/dbraw/zinc/17/11/07/384171107.db2.gz RXGQNAIGIXXXDW-GXSJLCMTSA-N 1 3 227.352 0.700 10 0 BCAEHO C[C@H](NC[C@H]1CCCN1C)[C@H]1CC[NH2+]C1 ZINC000400343483 384195119 /nfs/dbraw/zinc/19/51/19/384195119.db2.gz IFCGKZZSZVVEKY-SDDRHHMPSA-N 1 3 211.353 0.668 10 0 BCAEHO COc1nccnc1CNCC1CC[NH2+]CC1 ZINC000095071637 384340965 /nfs/dbraw/zinc/34/09/65/384340965.db2.gz HEFNDBUZXFLVAE-UHFFFAOYSA-N 1 3 236.319 0.574 10 0 BCAEHO CC(C)[C@H](CO)C[NH2+][C@H]1CCCNCC1 ZINC000394045264 384394181 /nfs/dbraw/zinc/39/41/81/384394181.db2.gz LZTALUAWGVXKBZ-RYUDHWBXSA-N 1 3 214.353 0.983 10 0 BCAEHO CC(C)[C@H](CO)CN[C@H]1CCC[NH2+]CC1 ZINC000394045264 384394185 /nfs/dbraw/zinc/39/41/85/384394185.db2.gz LZTALUAWGVXKBZ-RYUDHWBXSA-N 1 3 214.353 0.983 10 0 BCAEHO CC(C)OCCN[C@H](C)[C@@H]1CC[NH2+]C1 ZINC000400521229 384405533 /nfs/dbraw/zinc/40/55/33/384405533.db2.gz OKRZZQQQCVEGGZ-GHMZBOCLSA-N 1 3 200.326 0.999 10 0 BCAEHO CN(C)CCOc1ccc(C(=[NH2+])NO)cc1 ZINC000019439942 384521639 /nfs/dbraw/zinc/52/16/39/384521639.db2.gz YLFGSCOOHVDSDF-UHFFFAOYSA-N 1 3 223.276 0.931 10 0 BCAEHO COC(=O)CCCC[N@@H+]1C[C@H](C)[C@H](CN)C1 ZINC000601327211 384763824 /nfs/dbraw/zinc/76/38/24/384763824.db2.gz SLWOVJPURIINBS-WDEREUQCSA-N 1 3 228.336 0.856 10 0 BCAEHO COC(=O)CCCC[N@H+]1C[C@H](C)[C@H](CN)C1 ZINC000601327211 384763833 /nfs/dbraw/zinc/76/38/33/384763833.db2.gz SLWOVJPURIINBS-WDEREUQCSA-N 1 3 228.336 0.856 10 0 BCAEHO C[C@H](O)[C@H]1CC[N@H+](C[C@@H]2CCCNC2)C1 ZINC000166162591 385224452 /nfs/dbraw/zinc/22/44/52/385224452.db2.gz CIEBQBLPCMQONQ-TUAOUCFPSA-N 1 3 212.337 0.689 10 0 BCAEHO C[C@H](O)[C@H]1CC[N@@H+](C[C@@H]2CCCNC2)C1 ZINC000166162591 385224467 /nfs/dbraw/zinc/22/44/67/385224467.db2.gz CIEBQBLPCMQONQ-TUAOUCFPSA-N 1 3 212.337 0.689 10 0 BCAEHO C[C@H](O)[C@H]1CCN(C[C@@H]2CCC[NH2+]C2)C1 ZINC000166162591 385224475 /nfs/dbraw/zinc/22/44/75/385224475.db2.gz CIEBQBLPCMQONQ-TUAOUCFPSA-N 1 3 212.337 0.689 10 0 BCAEHO CN(C)C[C@@H]1CCCN1C(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000227794714 385238184 /nfs/dbraw/zinc/23/81/84/385238184.db2.gz RVYHMNRSLRTUGI-TUAOUCFPSA-N 1 3 239.363 0.666 10 0 BCAEHO C[C@@H]1C[C@@H](NC(=O)[C@H]2CCC[NH2+]C2)CCN1C ZINC000157824964 385290795 /nfs/dbraw/zinc/29/07/95/385290795.db2.gz TVIMEBFVRVYYOQ-WOPDTQHZSA-N 1 3 239.363 0.585 10 0 BCAEHO [NH3+][C@@H]1CC=C(C(=O)N2CCN3CCC[C@@H]3C2)C1 ZINC000638109927 385843978 /nfs/dbraw/zinc/84/39/78/385843978.db2.gz ZPQJLUKCMOMFBB-VXGBXAGGSA-N 1 3 235.331 0.341 10 0 BCAEHO CN1CCC(C(=O)N2CCCC[C@H]2C[NH3+])CC1 ZINC000131179634 386197130 /nfs/dbraw/zinc/19/71/30/386197130.db2.gz OPNXDDNNVIJUPI-LBPRGKRZSA-N 1 3 239.363 0.668 10 0 BCAEHO [NH3+][C@@H]1CC[C@H](C(=O)NCCN2CCCCC2)C1 ZINC000091546022 386300865 /nfs/dbraw/zinc/30/08/65/386300865.db2.gz KIXRQVAFBXJEPT-NWDGAFQWSA-N 1 3 239.363 0.716 10 0 BCAEHO C[C@@H](N)C(C)(C)C[N@@H+]1C[C@@H](C)[C@@H](O)C1 ZINC000306887987 386479894 /nfs/dbraw/zinc/47/98/94/386479894.db2.gz VIRONICAQQBTBP-BBBLOLIVSA-N 1 3 200.326 0.672 10 0 BCAEHO C[C@@H](N)C(C)(C)C[N@H+]1C[C@@H](C)[C@@H](O)C1 ZINC000306887987 386479900 /nfs/dbraw/zinc/47/99/00/386479900.db2.gz VIRONICAQQBTBP-BBBLOLIVSA-N 1 3 200.326 0.672 10 0 BCAEHO C[C@@H]([NH3+])C(C)(C)CN1C[C@@H](C)[C@@H](O)C1 ZINC000306887987 386479905 /nfs/dbraw/zinc/47/99/05/386479905.db2.gz VIRONICAQQBTBP-BBBLOLIVSA-N 1 3 200.326 0.672 10 0 BCAEHO C[C@@]1(C(=O)N2CCN3CCC[C@@H]3C2)CC[NH2+]C1 ZINC000062895518 386530113 /nfs/dbraw/zinc/53/01/13/386530113.db2.gz LKNQNJCHPZGGAS-DGCLKSJQSA-N 1 3 237.347 0.293 10 0 BCAEHO CCC[C@H](N)C(=O)NC[C@@H](C)C[NH+]1CCCC1 ZINC000059931006 386463946 /nfs/dbraw/zinc/46/39/46/386463946.db2.gz DVDQUXFCLQZRHI-NEPJUHHUSA-N 1 3 241.379 0.962 10 0 BCAEHO CN(C)[C@H]1CCN(C(=O)[C@@]2(C)CCC[NH2+]C2)C1 ZINC000062972065 386534396 /nfs/dbraw/zinc/53/43/96/386534396.db2.gz SOHGJRGLIIHJQL-AAEUAGOBSA-N 1 3 239.363 0.539 10 0 BCAEHO C[NH+](C)[C@@H]1CCN(C(=O)[C@@H](N)C(C)(C)C)C1 ZINC000062971992 386536166 /nfs/dbraw/zinc/53/61/66/386536166.db2.gz OHRROOUCPMFQJD-NXEZZACHSA-N 1 3 227.352 0.522 10 0 BCAEHO [NH3+][C@@H]1CC[C@H](C(=O)N2CCN3CCC2CC3)C1 ZINC000335463697 386548993 /nfs/dbraw/zinc/54/89/93/386548993.db2.gz NIEFICXZNYBSAZ-WDEREUQCSA-N 1 3 237.347 0.420 10 0 BCAEHO CC(C)C[C@@H](CN(C)C)NC(=O)[C@@H](C)C[NH3+] ZINC000044806477 386730264 /nfs/dbraw/zinc/73/02/64/386730264.db2.gz LYJOIVRSSWEKIB-QWRGUYRKSA-N 1 3 229.368 0.674 10 0 BCAEHO C[C@@H]1CN(C)C[C@@H]1N[C@@H]1CCC[NH2+][C@@H]1C ZINC000423396607 387232991 /nfs/dbraw/zinc/23/29/91/387232991.db2.gz UIGVRVWJLONNLF-KKOKHZNYSA-N 1 3 211.353 0.667 10 0 BCAEHO CC[C@H](C)[C@H](C)NC[C@H]1C[NH2+]C[C@H]1O ZINC000423402223 387238173 /nfs/dbraw/zinc/23/81/73/387238173.db2.gz GUMRKRMAGYNKAQ-UKKRHICBSA-N 1 3 200.326 0.591 10 0 BCAEHO CC[C@H](C)[C@H](C)[NH2+]C[C@H]1CNC[C@H]1O ZINC000423402223 387238175 /nfs/dbraw/zinc/23/81/75/387238175.db2.gz GUMRKRMAGYNKAQ-UKKRHICBSA-N 1 3 200.326 0.591 10 0 BCAEHO CCCNC(=O)CCN[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000643454476 387386130 /nfs/dbraw/zinc/38/61/30/387386130.db2.gz BSRLEIUVIPIOHM-RYUDHWBXSA-N 1 3 241.379 0.880 10 0 BCAEHO COC(=O)C(C)(C)CN[C@H](C)[C@H]1CC[NH2+]C1 ZINC000400716885 387580327 /nfs/dbraw/zinc/58/03/27/387580327.db2.gz NMJORRWVWSEUDW-ZJUUUORDSA-N 1 3 228.336 0.773 10 0 BCAEHO CC(C)[C@H](C(=O)N1CC[C@@H](N(C)C)C1)[C@@H](C)[NH3+] ZINC000399655499 387561989 /nfs/dbraw/zinc/56/19/89/387561989.db2.gz OGPPEWVJGKDXKY-UTUOFQBUSA-N 1 3 241.379 0.768 10 0 BCAEHO CN(C)[C@@H]1CCCN(C(=O)[C@H]2CCC[NH2+]C2)C1 ZINC000082280862 388021886 /nfs/dbraw/zinc/02/18/86/388021886.db2.gz GCTFHCBPRPABMH-NWDGAFQWSA-N 1 3 239.363 0.539 10 0 BCAEHO CC(C)(C[NH3+])C(=O)N1CCN2CCC[C@@H]2C1 ZINC000086932098 388110742 /nfs/dbraw/zinc/11/07/42/388110742.db2.gz MXDIJEPSDPMADA-SNVBAGLBSA-N 1 3 225.336 0.278 10 0 BCAEHO CC[NH+](CC)[C@@H](C)CNC(=O)[C@@H](C)N ZINC000237041683 388389156 /nfs/dbraw/zinc/38/91/56/388389156.db2.gz FNNRBJYUSDLYHA-DTWKUNHWSA-N 1 3 201.314 0.180 10 0 BCAEHO CN(C)Cc1ccc(C(=O)N[C@@H]2CC[NH2+]C2)cc1 ZINC000646634954 388399385 /nfs/dbraw/zinc/39/93/85/388399385.db2.gz OJICEZAKVYNKFJ-CYBMUJFWSA-N 1 3 247.342 0.840 10 0 BCAEHO CC(C)[C@@H](N)C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000261577860 135219223 /nfs/dbraw/zinc/21/92/23/135219223.db2.gz LLUCYAZBLMSMTL-NXEZZACHSA-N 1 3 213.325 0.228 10 0 BCAEHO CCC[C@@H](C(=O)NC[C@H]1CC[N@H+](C)C1)N(C)C ZINC000137568227 388563338 /nfs/dbraw/zinc/56/33/38/388563338.db2.gz LFQOZXZIMDTQGN-NEPJUHHUSA-N 1 3 241.379 0.785 10 0 BCAEHO CCC[C@@H](C(=O)NC[C@H]1CC[N@@H+](C)C1)N(C)C ZINC000137568227 388563341 /nfs/dbraw/zinc/56/33/41/388563341.db2.gz LFQOZXZIMDTQGN-NEPJUHHUSA-N 1 3 241.379 0.785 10 0 BCAEHO CCC[C@@H](C(=O)NC[C@@H]1CC[N@H+](C)C1)N(C)C ZINC000137568056 388563715 /nfs/dbraw/zinc/56/37/15/388563715.db2.gz LFQOZXZIMDTQGN-RYUDHWBXSA-N 1 3 241.379 0.785 10 0 BCAEHO CCC[C@@H](C(=O)NC[C@@H]1CC[N@@H+](C)C1)N(C)C ZINC000137568056 388563718 /nfs/dbraw/zinc/56/37/18/388563718.db2.gz LFQOZXZIMDTQGN-RYUDHWBXSA-N 1 3 241.379 0.785 10 0 BCAEHO CCC[C@H](C(=O)NC[C@@H]1CC[N@H+](C)C1)N(C)C ZINC000137568141 388563751 /nfs/dbraw/zinc/56/37/51/388563751.db2.gz LFQOZXZIMDTQGN-NWDGAFQWSA-N 1 3 241.379 0.785 10 0 BCAEHO CCC[C@H](C(=O)NC[C@@H]1CC[N@@H+](C)C1)N(C)C ZINC000137568141 388563753 /nfs/dbraw/zinc/56/37/53/388563753.db2.gz LFQOZXZIMDTQGN-NWDGAFQWSA-N 1 3 241.379 0.785 10 0 BCAEHO CN1CCO[C@H](CN[C@@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000223042262 388647615 /nfs/dbraw/zinc/64/76/15/388647615.db2.gz KTKKFBBAALVXQR-IJLUTSLNSA-N 1 3 227.352 0.177 10 0 BCAEHO C[C@@H]1C[C@H](NC(=O)[C@@H]2CCC[C@H]2[NH3+])CCN1C ZINC000252175892 135086095 /nfs/dbraw/zinc/08/60/95/135086095.db2.gz RZJIMMLDNPRCAC-DDHJBXDOSA-N 1 3 239.363 0.713 10 0 BCAEHO CC(C)[N@@H+]1C[C@@H](C)[C@@H](N[C@H](C)CC(N)=O)C1 ZINC000252726983 135103058 /nfs/dbraw/zinc/10/30/58/135103058.db2.gz JUOFMTDZVJMFKO-MXWKQRLJSA-N 1 3 227.352 0.569 10 0 BCAEHO CC(C)[N@H+]1C[C@@H](C)[C@@H](N[C@H](C)CC(N)=O)C1 ZINC000252726983 135103059 /nfs/dbraw/zinc/10/30/59/135103059.db2.gz JUOFMTDZVJMFKO-MXWKQRLJSA-N 1 3 227.352 0.569 10 0 BCAEHO CN(C)CCNC(=O)CC[C@H]1CCC[NH2+]1 ZINC000261529429 135155698 /nfs/dbraw/zinc/15/56/98/135155698.db2.gz ASCZPGPEADFTRH-SNVBAGLBSA-N 1 3 213.325 0.196 10 0 BCAEHO CNC(=O)[C@]1(C)CC[N@H+](C[C@H]2CCCNC2)C1 ZINC000261541314 135181315 /nfs/dbraw/zinc/18/13/15/135181315.db2.gz JSDYCLKLWISTJC-WCQYABFASA-N 1 3 239.363 0.444 10 0 BCAEHO CNC(=O)[C@]1(C)CC[N@@H+](C[C@H]2CCCNC2)C1 ZINC000261541314 135181317 /nfs/dbraw/zinc/18/13/17/135181317.db2.gz JSDYCLKLWISTJC-WCQYABFASA-N 1 3 239.363 0.444 10 0 BCAEHO [NH3+][C@H]1CCCC[C@H]1CC(=O)N1CCCNCC1 ZINC000261549870 135188971 /nfs/dbraw/zinc/18/89/71/135188971.db2.gz KVEVPQIQZCHHNX-RYUDHWBXSA-N 1 3 239.363 0.716 10 0 BCAEHO C[C@@]1(CN2CC[C@@H](CCO)C2)CC[NH2+]C1 ZINC000261550566 135189285 /nfs/dbraw/zinc/18/92/85/135189285.db2.gz PNZATOBDICAGHZ-NWDGAFQWSA-N 1 3 212.337 0.690 10 0 BCAEHO CCCC[C@@H](C[NH3+])NC(=O)[C@@H](N)CCC ZINC000261552321 135191156 /nfs/dbraw/zinc/19/11/56/135191156.db2.gz RCBOIUVMCHBFSY-UWVGGRQHSA-N 1 3 215.341 0.748 10 0 BCAEHO CCC[C@H]([NH3+])C(=O)N1CCN[C@@H](C)[C@@H]1C ZINC000261554498 135194207 /nfs/dbraw/zinc/19/42/07/135194207.db2.gz UHKVXWBENFWRRX-GUBZILKMSA-N 1 3 213.325 0.323 10 0 BCAEHO C[C@H]1[C@H]([NH3+])CCN1C(=O)[C@@H]1CCCCN1 ZINC000261562311 135203733 /nfs/dbraw/zinc/20/37/33/135203733.db2.gz BFNXYOQBTDZJRA-AEJSXWLSSA-N 1 3 211.309 0.077 10 0 BCAEHO CCN(C)CCNC(=O)CC[C@H]1CCC[NH2+]1 ZINC000261576346 135217808 /nfs/dbraw/zinc/21/78/08/135217808.db2.gz KHMNXCFMBXGGMZ-LLVKDONJSA-N 1 3 227.352 0.587 10 0 BCAEHO C[C@H]1[C@H]([NH3+])CCN1C(=O)C1(N)CCCC1 ZINC000261585770 135226731 /nfs/dbraw/zinc/22/67/31/135226731.db2.gz QPMRZWAYMBQAPF-DTWKUNHWSA-N 1 3 211.309 0.206 10 0 BCAEHO C[C@H]1CN(C2CCN(CC[NH3+])CC2)CCO1 ZINC000261585505 135226999 /nfs/dbraw/zinc/22/69/99/135226999.db2.gz QMRPOHPSAFTMPH-NSHDSACASA-N 1 3 227.352 0.130 10 0 BCAEHO C[C@H](N)C(=O)NC[C@@H]1[NH2+]CCCC1(C)C ZINC000261547564 135240027 /nfs/dbraw/zinc/24/00/27/135240027.db2.gz MLXCNHDGTGHAPQ-IUCAKERBSA-N 1 3 213.325 0.228 10 0 BCAEHO COC(=O)[C@@H]1CCN(C[C@@H]2CCC[NH2+]C2)[C@H]1C ZINC000261638359 135242341 /nfs/dbraw/zinc/24/23/41/135242341.db2.gz DBBFOCAQQUYQBK-QJPTWQEYSA-N 1 3 240.347 0.869 10 0 BCAEHO COC(=O)[C@@H]1CC[N@H+](C[C@@H]2CCCNC2)[C@H]1C ZINC000261638359 135242342 /nfs/dbraw/zinc/24/23/42/135242342.db2.gz DBBFOCAQQUYQBK-QJPTWQEYSA-N 1 3 240.347 0.869 10 0 BCAEHO COC(=O)[C@@H]1CC[N@@H+](C[C@@H]2CCCNC2)[C@H]1C ZINC000261638359 135242344 /nfs/dbraw/zinc/24/23/44/135242344.db2.gz DBBFOCAQQUYQBK-QJPTWQEYSA-N 1 3 240.347 0.869 10 0 BCAEHO C[NH2+][C@@H](C)CNC(=O)CN1[C@H](C)CC[C@@H]1C ZINC000261702577 135246709 /nfs/dbraw/zinc/24/67/09/135246709.db2.gz JIEOKFSCOMJNCE-GARJFASQSA-N 1 3 227.352 0.583 10 0 BCAEHO C[C@]1(CN2C[C@@H]3CC[C@H](O)[C@H]3C2)CC[NH2+]C1 ZINC000261712948 135247870 /nfs/dbraw/zinc/24/78/70/135247870.db2.gz DWLFDSKMNVTPJT-CYDGBPFRSA-N 1 3 224.348 0.689 10 0 BCAEHO O=C1C[C@]2(CCN(C[C@H]3CCC[NH2+]C3)C2)CN1 ZINC000261758799 135250978 /nfs/dbraw/zinc/25/09/78/135250978.db2.gz CSQPXQXQOZWOPW-WCQYABFASA-N 1 3 237.347 0.198 10 0 BCAEHO O=C1C[C@]2(CC[N@H+](C[C@H]3CCCNC3)C2)CN1 ZINC000261758799 135250979 /nfs/dbraw/zinc/25/09/79/135250979.db2.gz CSQPXQXQOZWOPW-WCQYABFASA-N 1 3 237.347 0.198 10 0 BCAEHO O=C1C[C@]2(CC[N@@H+](C[C@H]3CCCNC3)C2)CN1 ZINC000261758799 135250980 /nfs/dbraw/zinc/25/09/80/135250980.db2.gz CSQPXQXQOZWOPW-WCQYABFASA-N 1 3 237.347 0.198 10 0 BCAEHO C[C@H]1NCCN(C(=O)[C@@H]2CCC[C@@H]2C[NH3+])[C@@H]1C ZINC000261805844 135254323 /nfs/dbraw/zinc/25/43/23/135254323.db2.gz MYZPKGSIKPQSKM-DDHJBXDOSA-N 1 3 239.363 0.570 10 0 BCAEHO COC(=O)C(C)(C)CC[N@@H+]1CCC[C@H]1CN ZINC000261938089 135264511 /nfs/dbraw/zinc/26/45/11/135264511.db2.gz MJGIGEBDEWRTJX-JTQLQIEISA-N 1 3 228.336 0.999 10 0 BCAEHO COC(=O)C(C)(C)CC[N@H+]1CCC[C@H]1CN ZINC000261938089 135264513 /nfs/dbraw/zinc/26/45/13/135264513.db2.gz MJGIGEBDEWRTJX-JTQLQIEISA-N 1 3 228.336 0.999 10 0 BCAEHO COC(=O)C(C)(C)CC[N@@H+]1CCC[C@@H]1CN ZINC000261938090 135264553 /nfs/dbraw/zinc/26/45/53/135264553.db2.gz MJGIGEBDEWRTJX-SNVBAGLBSA-N 1 3 228.336 0.999 10 0 BCAEHO COC(=O)C(C)(C)CC[N@H+]1CCC[C@@H]1CN ZINC000261938090 135264554 /nfs/dbraw/zinc/26/45/54/135264554.db2.gz MJGIGEBDEWRTJX-SNVBAGLBSA-N 1 3 228.336 0.999 10 0 BCAEHO O[C@@H]1C[NH2+]C[C@H]1CNC1Cc2ccccc2C1 ZINC000262093752 135278993 /nfs/dbraw/zinc/27/89/93/135278993.db2.gz HLDGHZPEPCSPNF-GXTWGEPZSA-N 1 3 232.327 0.324 10 0 BCAEHO CCC[C@H](N)C(=O)NCC[N@@H+]1CCC[C@H](C)C1 ZINC000262110426 135279888 /nfs/dbraw/zinc/27/98/88/135279888.db2.gz GXKSXNBTHMELBS-RYUDHWBXSA-N 1 3 241.379 0.962 10 0 BCAEHO CCC[C@H](N)C(=O)NCC[N@H+]1CCC[C@H](C)C1 ZINC000262110426 135279889 /nfs/dbraw/zinc/27/98/89/135279889.db2.gz GXKSXNBTHMELBS-RYUDHWBXSA-N 1 3 241.379 0.962 10 0 BCAEHO C[C@@H]1CCCC[C@@H]1CNC[C@@H]1C[NH2+]C[C@@H]1O ZINC000262153468 135282217 /nfs/dbraw/zinc/28/22/17/135282217.db2.gz RNNDNQWNVMJPSU-LPWJVIDDSA-N 1 3 226.364 0.983 10 0 BCAEHO C[C@@H]1CCCC[C@@H]1C[NH2+]C[C@@H]1CNC[C@@H]1O ZINC000262153468 135282218 /nfs/dbraw/zinc/28/22/18/135282218.db2.gz RNNDNQWNVMJPSU-LPWJVIDDSA-N 1 3 226.364 0.983 10 0 BCAEHO C[C@@H]1CCCC[C@@H]1CNC[C@@H]1C[NH2+]C[C@H]1O ZINC000262153466 135282309 /nfs/dbraw/zinc/28/23/09/135282309.db2.gz RNNDNQWNVMJPSU-FDYHWXHSSA-N 1 3 226.364 0.983 10 0 BCAEHO C[C@@H]1CCCC[C@@H]1C[NH2+]C[C@@H]1CNC[C@H]1O ZINC000262153466 135282311 /nfs/dbraw/zinc/28/23/11/135282311.db2.gz RNNDNQWNVMJPSU-FDYHWXHSSA-N 1 3 226.364 0.983 10 0 BCAEHO C[C@@H]1CCCC[C@@H]1CNC[C@H]1C[NH2+]C[C@H]1O ZINC000262153467 135282556 /nfs/dbraw/zinc/28/25/56/135282556.db2.gz RNNDNQWNVMJPSU-FVCCEPFGSA-N 1 3 226.364 0.983 10 0 BCAEHO C[C@@H]1CCCC[C@@H]1C[NH2+]C[C@H]1CNC[C@H]1O ZINC000262153467 135282558 /nfs/dbraw/zinc/28/25/58/135282558.db2.gz RNNDNQWNVMJPSU-FVCCEPFGSA-N 1 3 226.364 0.983 10 0 BCAEHO C[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CNC[C@H]2O)[C@H]1C ZINC000262156599 135283178 /nfs/dbraw/zinc/28/31/78/135283178.db2.gz RZUYNXXAAASQLL-QNWJLWSRSA-N 1 3 226.364 0.981 10 0 BCAEHO CC(C)(C)[C@H](N)C(=O)N[C@H]1CCC[C@@H]1C[NH3+] ZINC000262562629 135306267 /nfs/dbraw/zinc/30/62/67/135306267.db2.gz AIMUKEUQXOERLN-KXUCPTDWSA-N 1 3 227.352 0.603 10 0 BCAEHO CCC[C@](C)(N)C(=O)N[C@H]1CCC[C@H]1C[NH3+] ZINC000262629834 135309476 /nfs/dbraw/zinc/30/94/76/135309476.db2.gz NFEPQEIIGYTBSR-NHCYSSNCSA-N 1 3 227.352 0.748 10 0 BCAEHO CCCC[C@H](C[NH3+])NC(=O)[C@H](N)[C@H](C)CC ZINC000262608719 135315849 /nfs/dbraw/zinc/31/58/49/135315849.db2.gz UEKFXZUHCKHSNJ-GMTAPVOTSA-N 1 3 229.368 0.994 10 0 BCAEHO CC1CCC(CNC[C@@H]2C[NH2+]C[C@H]2O)CC1 ZINC000263107091 135333572 /nfs/dbraw/zinc/33/35/72/135333572.db2.gz AAHLXXABQJKXAO-FIYWTHMPSA-N 1 3 226.364 0.983 10 0 BCAEHO CC1CCC(C[NH2+]C[C@@H]2CNC[C@H]2O)CC1 ZINC000263107091 135333573 /nfs/dbraw/zinc/33/35/73/135333573.db2.gz AAHLXXABQJKXAO-FIYWTHMPSA-N 1 3 226.364 0.983 10 0 BCAEHO C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CNC[C@@H]2O)[C@@H](C)C1 ZINC000263197153 135338399 /nfs/dbraw/zinc/33/83/99/135338399.db2.gz IPCKRBYZGJCCMY-MOLYVOAJSA-N 1 3 226.364 0.981 10 0 BCAEHO C[C@@H](CNC(=O)C1C[NH2+]C1)N1CCC(C)CC1 ZINC000263279596 135344438 /nfs/dbraw/zinc/34/44/38/135344438.db2.gz JITYWGFGJFCZBB-NSHDSACASA-N 1 3 239.363 0.442 10 0 BCAEHO CC(C)CC[C@H](C)NC[C@H]1C[NH2+]C[C@H]1O ZINC000336687764 397839310 /nfs/dbraw/zinc/83/93/10/397839310.db2.gz UMHSEZVBPQIIHZ-QJPTWQEYSA-N 1 3 214.353 0.981 10 0 BCAEHO CC[N@H+](C)[C@H]1CC2(CC[C@H]1N)OCCO2 ZINC000249906153 398021483 /nfs/dbraw/zinc/02/14/83/398021483.db2.gz HMJMXCPDWSXRRC-ZJUUUORDSA-N 1 3 214.309 0.561 10 0 BCAEHO CC[N@@H+](C)[C@H]1CC2(CC[C@H]1N)OCCO2 ZINC000249906153 398021485 /nfs/dbraw/zinc/02/14/85/398021485.db2.gz HMJMXCPDWSXRRC-ZJUUUORDSA-N 1 3 214.309 0.561 10 0 BCAEHO CCN1CC[C@@H](NC[C@@H](O)C[NH+]2CCCC2)C1 ZINC000389214689 398050675 /nfs/dbraw/zinc/05/06/75/398050675.db2.gz CMAJTGCAMHDQQW-CHWSQXEVSA-N 1 3 241.379 0.127 10 0 BCAEHO CCC[C@](C)(N)C(=O)NCC[C@@H](C)[NH3+] ZINC000389597581 398115860 /nfs/dbraw/zinc/11/58/60/398115860.db2.gz QXBYCAYCLLWRFF-SCZZXKLOSA-N 1 3 201.314 0.357 10 0 BCAEHO COC[C@H](CN1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1)OC ZINC000662267111 409570437 /nfs/dbraw/zinc/57/04/37/409570437.db2.gz SBHIAULEBZEABD-YFKTTZPYSA-N 1 3 228.336 0.317 10 0 BCAEHO COC[C@H](CN1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1)OC ZINC000662267107 409569099 /nfs/dbraw/zinc/56/90/99/409569099.db2.gz SBHIAULEBZEABD-FIQHERPVSA-N 1 3 228.336 0.317 10 0 BCAEHO CC(C)(C)N1CC[C@H](N[C@@H]2CC[NH2+]C2)C1 ZINC000665235801 410725890 /nfs/dbraw/zinc/72/58/90/410725890.db2.gz AMLUOQOFPZVOQO-MNOVXSKESA-N 1 3 211.353 0.811 10 0 BCAEHO C[NH2+][C@H](C)CNC(=O)[C@@H](N)C(C)(C)C ZINC000309104322 410864426 /nfs/dbraw/zinc/86/44/26/410864426.db2.gz HELWXIIUVSWKEO-HTQZYQBOSA-N 1 3 201.314 0.084 10 0 BCAEHO CC(C)[N@@H+]1CC[C@](CN)(N2CCCC2)C1 ZINC000045658328 167028823 /nfs/dbraw/zinc/02/88/23/167028823.db2.gz WKCCLSQEPUZYBH-GFCCVEGCSA-N 1 3 211.353 0.894 10 0 BCAEHO CC(C)[N@H+]1CC[C@](CN)(N2CCCC2)C1 ZINC000045658328 167028825 /nfs/dbraw/zinc/02/88/25/167028825.db2.gz WKCCLSQEPUZYBH-GFCCVEGCSA-N 1 3 211.353 0.894 10 0 BCAEHO CC(C)NC(=O)C[NH2+][C@@H](C)[C@H]1CCCN(C)C1 ZINC000036781497 167059666 /nfs/dbraw/zinc/05/96/66/167059666.db2.gz BJJFANGMLXAJSD-RYUDHWBXSA-N 1 3 241.379 0.831 10 0 BCAEHO CC(C)[NH2+]CCC(=O)N1CCN2CCC[C@H]2C1 ZINC000037812656 167099027 /nfs/dbraw/zinc/09/90/27/167099027.db2.gz WNDVTMPTGREGKD-LBPRGKRZSA-N 1 3 239.363 0.681 10 0 BCAEHO CC(C)[NH2+]CCCC(=O)NCCN(C)C1CC1 ZINC000062010185 167100324 /nfs/dbraw/zinc/10/03/24/167100324.db2.gz OHZRJXMHFGWLIF-UHFFFAOYSA-N 1 3 241.379 0.975 10 0 BCAEHO CC(C)[NH2+]CCCN1C[C@H](C(N)=O)CC[C@H]1C ZINC000042438668 167102381 /nfs/dbraw/zinc/10/23/81/167102381.db2.gz IPSADXPWYSSIII-VXGBXAGGSA-N 1 3 241.379 0.960 10 0 BCAEHO CC(C)[NH2+]C[C@H](O)CN1CCN(C)C(C)(C)C1 ZINC000104124437 167114464 /nfs/dbraw/zinc/11/44/64/167114464.db2.gz ODMHMZCLAFXMMI-LBPRGKRZSA-N 1 3 243.395 0.371 10 0 BCAEHO CC(C)[C@@H](CN(C)C)NC(=O)[C@H]1CCC[NH2+]C1 ZINC000049220519 167394490 /nfs/dbraw/zinc/39/44/90/167394490.db2.gz DQMCTHIMFFVWDC-NWDGAFQWSA-N 1 3 241.379 0.688 10 0 BCAEHO CC(C)[C@@H](CN(C)C)NC(=O)[C@H]1CCCC[NH2+]1 ZINC000049220536 167395414 /nfs/dbraw/zinc/39/54/14/167395414.db2.gz DVPSMNAOZPIMFM-VXGBXAGGSA-N 1 3 241.379 0.831 10 0 BCAEHO CC(C)[C@@H](CN(C)C)NC(=O)[C@@H]1CCC[NH2+]C1 ZINC000049220512 167395933 /nfs/dbraw/zinc/39/59/33/167395933.db2.gz DQMCTHIMFFVWDC-VXGBXAGGSA-N 1 3 241.379 0.688 10 0 BCAEHO C[C@H]([NH2+]CC(C)(C)CO)[C@H]1CCCNC1 ZINC000643475085 411169548 /nfs/dbraw/zinc/16/95/48/411169548.db2.gz ZPUYRCWJEBJUSB-QWRGUYRKSA-N 1 3 214.353 0.983 10 0 BCAEHO C[C@H](NCC(C)(C)CO)[C@H]1CCC[NH2+]C1 ZINC000643475085 411169551 /nfs/dbraw/zinc/16/95/51/411169551.db2.gz ZPUYRCWJEBJUSB-QWRGUYRKSA-N 1 3 214.353 0.983 10 0 BCAEHO CCC[C@H](N)C(=O)N[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000309734857 411219489 /nfs/dbraw/zinc/21/94/89/411219489.db2.gz CBROHIVQQBANLY-AEJSXWLSSA-N 1 3 213.325 0.371 10 0 BCAEHO CCC[C@H](N)C(=O)N[C@H]1CC[NH2+][C@@H](C)C1 ZINC000309734859 411219597 /nfs/dbraw/zinc/21/95/97/411219597.db2.gz CBROHIVQQBANLY-GUBZILKMSA-N 1 3 213.325 0.371 10 0 BCAEHO CC[C@@H](C)[C@H](N)C(=O)NC[C@H]1CC[NH2+]C1 ZINC000309758824 411222641 /nfs/dbraw/zinc/22/26/41/411222641.db2.gz IETOCYCYPJHGPG-UTLUCORTSA-N 1 3 213.325 0.086 10 0 BCAEHO CC[C@H](C)[C@@H](N)C(=O)NC[C@H]1CC[NH2+]C1 ZINC000309408438 411241712 /nfs/dbraw/zinc/24/17/12/411241712.db2.gz IETOCYCYPJHGPG-LPEHRKFASA-N 1 3 213.325 0.086 10 0 BCAEHO CCC[C@@H](N)C(=O)NC1CCC([NH3+])CC1 ZINC000051694894 411281209 /nfs/dbraw/zinc/28/12/09/411281209.db2.gz KMXXPDAGFJQXSM-UDNWOFFPSA-N 1 3 213.325 0.500 10 0 BCAEHO C[NH+](C)[C@H]1CCN(C(=O)C2(N)CCCC2)C1 ZINC000062972340 411334958 /nfs/dbraw/zinc/33/49/58/411334958.db2.gz XSYCJJAEQRAMDF-JTQLQIEISA-N 1 3 225.336 0.420 10 0 BCAEHO CCN1CC[C@H](C[NH2+][C@@H]2CCN(C)C2)C1 ZINC000061988908 170016543 /nfs/dbraw/zinc/01/65/43/170016543.db2.gz UNFJEPZWVVSKHQ-VXGBXAGGSA-N 1 3 211.353 0.622 10 0 BCAEHO CC[N@@H+]1CC[C@H](CN[C@@H]2CCN(C)C2)C1 ZINC000061988908 170016544 /nfs/dbraw/zinc/01/65/44/170016544.db2.gz UNFJEPZWVVSKHQ-VXGBXAGGSA-N 1 3 211.353 0.622 10 0 BCAEHO CC[N@H+]1CC[C@H](CN[C@@H]2CCN(C)C2)C1 ZINC000061988908 170016545 /nfs/dbraw/zinc/01/65/45/170016545.db2.gz UNFJEPZWVVSKHQ-VXGBXAGGSA-N 1 3 211.353 0.622 10 0 BCAEHO CCNC(=O)CC[NH2+]C[C@H]1CCN(C2CC2)C1 ZINC000051758665 170053567 /nfs/dbraw/zinc/05/35/67/170053567.db2.gz WQYQBLXLBIFIMF-LLVKDONJSA-N 1 3 239.363 0.587 10 0 BCAEHO CCNC(=O)CCNC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000051758665 170053568 /nfs/dbraw/zinc/05/35/68/170053568.db2.gz WQYQBLXLBIFIMF-LLVKDONJSA-N 1 3 239.363 0.587 10 0 BCAEHO CCNC(=O)CCNC[C@H]1CC[N@H+](C2CC2)C1 ZINC000051758665 170053569 /nfs/dbraw/zinc/05/35/69/170053569.db2.gz WQYQBLXLBIFIMF-LLVKDONJSA-N 1 3 239.363 0.587 10 0 BCAEHO CC[NH2+]C1C[C@H]2CC[C@@H](C1)N2CCC(=O)NC ZINC000054629058 170109251 /nfs/dbraw/zinc/10/92/51/170109251.db2.gz RYABOVUIMHJHAN-YOGCLGLASA-N 1 3 239.363 0.727 10 0 BCAEHO CC[NH2+]CC(=O)N(C)[C@H]1CCCN(C)C1 ZINC000053245664 170109827 /nfs/dbraw/zinc/10/98/27/170109827.db2.gz QWEJGTYCMCIEEE-JTQLQIEISA-N 1 3 213.325 0.149 10 0 BCAEHO CC[NH2+]C[C@@H](O)CN(CCN(C)C)CC(C)C ZINC000042747088 170119074 /nfs/dbraw/zinc/11/90/74/170119074.db2.gz SOCWEODQGMZFBM-CYBMUJFWSA-N 1 3 245.411 0.476 10 0 BCAEHO CCNC[C@H](O)C[N@H+](CCOC)[C@@H](C)C1CC1 ZINC000042615922 170122299 /nfs/dbraw/zinc/12/22/99/170122299.db2.gz NXMHNEQMKJTRJL-AAEUAGOBSA-N 1 3 244.379 0.704 10 0 BCAEHO CCNC[C@H](O)C[N@@H+](CCOC)[C@@H](C)C1CC1 ZINC000042615922 170122300 /nfs/dbraw/zinc/12/23/00/170122300.db2.gz NXMHNEQMKJTRJL-AAEUAGOBSA-N 1 3 244.379 0.704 10 0 BCAEHO CC[NH2+][C@H](C)C1CCN([C@H](CC)C(N)=O)CC1 ZINC000104424820 170157042 /nfs/dbraw/zinc/15/70/42/170157042.db2.gz DOWCNXZZXQJPIB-ZYHUDNBSSA-N 1 3 241.379 0.960 10 0 BCAEHO CC[NH2+][C@H]1CCN([C@@H]2CCCN(C)C2)C1 ZINC000040715857 170167660 /nfs/dbraw/zinc/16/76/60/170167660.db2.gz DYKWAFPZQJVGDU-NWDGAFQWSA-N 1 3 211.353 0.764 10 0 BCAEHO CN[C@H](C)C(=O)NCC[N@H+](C)C1CCCC1 ZINC000070946173 411563027 /nfs/dbraw/zinc/56/30/27/411563027.db2.gz XTDSIEYKPXKMNE-SNVBAGLBSA-N 1 3 227.352 0.585 10 0 BCAEHO CN[C@H](C)C(=O)NCC[N@@H+](C)C1CCCC1 ZINC000070946173 411563029 /nfs/dbraw/zinc/56/30/29/411563029.db2.gz XTDSIEYKPXKMNE-SNVBAGLBSA-N 1 3 227.352 0.585 10 0 BCAEHO CC[C@@H]1C[N@H+](C[C@H]2CCCNC2)C[C@@H]1O ZINC000261551629 171085733 /nfs/dbraw/zinc/08/57/33/171085733.db2.gz QPYSHSSYWAPYDG-TUAOUCFPSA-N 1 3 212.337 0.689 10 0 BCAEHO CC[C@@H]1C[N@@H+](C[C@H]2CCCNC2)C[C@@H]1O ZINC000261551629 171085735 /nfs/dbraw/zinc/08/57/35/171085735.db2.gz QPYSHSSYWAPYDG-TUAOUCFPSA-N 1 3 212.337 0.689 10 0 BCAEHO CC[C@@H]1CN(C[C@H]2CCC[NH2+]C2)C[C@@H]1O ZINC000261551629 171085737 /nfs/dbraw/zinc/08/57/37/171085737.db2.gz QPYSHSSYWAPYDG-TUAOUCFPSA-N 1 3 212.337 0.689 10 0 BCAEHO CC[C@@]1(C(=O)N2CC[C@@H](N(C)C)C2)CCC[NH2+]1 ZINC000122113968 171195890 /nfs/dbraw/zinc/19/58/90/171195890.db2.gz YMMKFGHUMQPZFH-YPMHNXCESA-N 1 3 239.363 0.681 10 0 BCAEHO CC[C@H](C)CN(C)CC(=O)N1CCC[NH2+]CC1 ZINC000042354556 171272243 /nfs/dbraw/zinc/27/22/43/171272243.db2.gz VBWRVFFAFHHIQA-LBPRGKRZSA-N 1 3 241.379 0.786 10 0 BCAEHO CC[C@H](C)NCC(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]12 ZINC000037617128 171339482 /nfs/dbraw/zinc/33/94/82/171339482.db2.gz SHAXEGUCBBUFRX-QJPTWQEYSA-N 1 3 239.363 0.727 10 0 BCAEHO CC[C@H](C)NCC(=O)N[C@@H]1CC[N@H+]2CCC[C@H]12 ZINC000037617128 171339483 /nfs/dbraw/zinc/33/94/83/171339483.db2.gz SHAXEGUCBBUFRX-QJPTWQEYSA-N 1 3 239.363 0.727 10 0 BCAEHO CC[C@H](C)[NH2+]CC(=O)N[C@@H]1CCN2CCC[C@H]12 ZINC000037617128 171339485 /nfs/dbraw/zinc/33/94/85/171339485.db2.gz SHAXEGUCBBUFRX-QJPTWQEYSA-N 1 3 239.363 0.727 10 0 BCAEHO CC[C@H](C)[C@@H](N)C(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000237070023 171371662 /nfs/dbraw/zinc/37/16/62/171371662.db2.gz YNMRECXAUZJGNW-SDDRHHMPSA-N 1 3 241.379 0.866 10 0 BCAEHO C[C@H](NC[C@@H]1CCC(=O)N1)[C@H]1CCC[NH2+]C1 ZINC000665273790 412214874 /nfs/dbraw/zinc/21/48/74/412214874.db2.gz DIQKPTDZQQVSLM-DCAQKATOSA-N 1 3 225.336 0.243 10 0 BCAEHO C[NH2+][C@H](C)C(=O)N[C@H]1CCN(C(C)(C)C)C1 ZINC000662619174 412241505 /nfs/dbraw/zinc/24/15/05/412241505.db2.gz JEFUGNBSWIVMGN-ZJUUUORDSA-N 1 3 227.352 0.583 10 0 BCAEHO CN[C@H](C)C(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000662619174 412241509 /nfs/dbraw/zinc/24/15/09/412241509.db2.gz JEFUGNBSWIVMGN-ZJUUUORDSA-N 1 3 227.352 0.583 10 0 BCAEHO CN[C@H](C)C(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000662619174 412241513 /nfs/dbraw/zinc/24/15/13/412241513.db2.gz JEFUGNBSWIVMGN-ZJUUUORDSA-N 1 3 227.352 0.583 10 0 BCAEHO C[C@@H](NCCOCCF)[C@@H]1CCC[NH2+]C1 ZINC000665299545 412247470 /nfs/dbraw/zinc/24/74/70/412247470.db2.gz OVQPDAZXOYXEHX-GHMZBOCLSA-N 1 3 218.316 0.950 10 0 BCAEHO C[C@@H]([NH2+]CCOCCF)[C@@H]1CCCNC1 ZINC000665299545 412247472 /nfs/dbraw/zinc/24/74/72/412247472.db2.gz OVQPDAZXOYXEHX-GHMZBOCLSA-N 1 3 218.316 0.950 10 0 BCAEHO C[C@H](CCNC(=O)[C@H]1C[C@H](F)CN1)[NH+](C)C ZINC000662633521 412251268 /nfs/dbraw/zinc/25/12/68/412251268.db2.gz MAMFBRYLIBWBJP-KXUCPTDWSA-N 1 3 231.315 0.143 10 0 BCAEHO CN1CCCN(C[C@@H]2CCC[C@@H]2[NH3+])CC1 ZINC000053864003 173014187 /nfs/dbraw/zinc/01/41/87/173014187.db2.gz DSIGAFNEVBFLFZ-RYUDHWBXSA-N 1 3 211.353 0.751 10 0 BCAEHO CN1CCCN([C@]2(C[NH3+])CCSC2)CC1 ZINC000034676258 173017028 /nfs/dbraw/zinc/01/70/28/173017028.db2.gz STNFYSJKBVHIPB-NSHDSACASA-N 1 3 229.393 0.458 10 0 BCAEHO CN1CCC[C@H](N2CCC[NH2+]CCC2)C1 ZINC000049667052 173044476 /nfs/dbraw/zinc/04/44/76/173044476.db2.gz RLDCCQNDZHJCAA-LBPRGKRZSA-N 1 3 211.353 0.766 10 0 BCAEHO CN1CCN(CC2(C[NH3+])CCCC2)CC1 ZINC000049815053 173080560 /nfs/dbraw/zinc/08/05/60/173080560.db2.gz UAOJYCXPFSEAGZ-UHFFFAOYSA-N 1 3 211.353 0.753 10 0 BCAEHO C[N@@H+]1CC[C@H](CNC(=O)[C@H](N)C(C)(C)C)C1 ZINC000077558853 173144859 /nfs/dbraw/zinc/14/48/59/173144859.db2.gz PBBMBDVLQNOLNX-ZJUUUORDSA-N 1 3 227.352 0.428 10 0 BCAEHO C[N@H+]1CC[C@H](CNC(=O)[C@H](N)C(C)(C)C)C1 ZINC000077558853 173144860 /nfs/dbraw/zinc/14/48/60/173144860.db2.gz PBBMBDVLQNOLNX-ZJUUUORDSA-N 1 3 227.352 0.428 10 0 BCAEHO C[N@@H+]1CC[C@H](CNC[C@@H](O)COC(C)(C)C)C1 ZINC000037894108 173147165 /nfs/dbraw/zinc/14/71/65/173147165.db2.gz DYDAWUGIQFYDRI-VXGBXAGGSA-N 1 3 244.379 0.704 10 0 BCAEHO C[N@H+]1CC[C@H](CNC[C@@H](O)COC(C)(C)C)C1 ZINC000037894108 173147167 /nfs/dbraw/zinc/14/71/67/173147167.db2.gz DYDAWUGIQFYDRI-VXGBXAGGSA-N 1 3 244.379 0.704 10 0 BCAEHO CN1CC[C@H](NC(=O)C[C@@H]2CCCC[NH2+]2)C1 ZINC000042549416 173150351 /nfs/dbraw/zinc/15/03/51/173150351.db2.gz YNTPCXSPUTZPTP-QWRGUYRKSA-N 1 3 225.336 0.339 10 0 BCAEHO CN(Cc1ccoc1)[C@@]1(CN)CC[N@H+](C)C1 ZINC000061990453 173162386 /nfs/dbraw/zinc/16/23/86/173162386.db2.gz QVCGFYLKZVOFLI-GFCCVEGCSA-N 1 3 223.320 0.744 10 0 BCAEHO CN(Cc1ccoc1)[C@@]1(CN)CC[N@@H+](C)C1 ZINC000061990453 173162387 /nfs/dbraw/zinc/16/23/87/173162387.db2.gz QVCGFYLKZVOFLI-GFCCVEGCSA-N 1 3 223.320 0.744 10 0 BCAEHO CNC(=O)[C@H]1CCCN1CCC[C@@H]1CCC[NH2+]1 ZINC000052764483 173307351 /nfs/dbraw/zinc/30/73/51/173307351.db2.gz HOIFBHQNVNSILU-NWDGAFQWSA-N 1 3 239.363 0.729 10 0 BCAEHO C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2CCCC(N)=O ZINC000054602147 173324277 /nfs/dbraw/zinc/32/42/77/173324277.db2.gz UYBKTWIXSJVWEN-YOGCLGLASA-N 1 3 239.363 0.857 10 0 BCAEHO C[NH2+]C[C@@H](O)CN1[C@H](C)CCC[C@@H]1C ZINC000019864028 173365020 /nfs/dbraw/zinc/36/50/20/173365020.db2.gz DPMIODYQLXRLPL-OUAUKWLOSA-N 1 3 200.326 0.830 10 0 BCAEHO CNCc1c(C)nn(C)c1N(C)CC[NH+](C)C ZINC000104199471 173383841 /nfs/dbraw/zinc/38/38/41/173383841.db2.gz HGPGWPVDTRVCGU-UHFFFAOYSA-N 1 3 239.367 0.446 10 0 BCAEHO CC(C)[C@@H]([NH3+])CC(=O)NC[C@@H]1CCCN1C ZINC000225813556 487629676 /nfs/dbraw/zinc/62/96/76/487629676.db2.gz BNLPHFAWFRSSFM-QWRGUYRKSA-N 1 3 227.352 0.570 10 0 BCAEHO CCN(CCNC(=O)C[C@@H]([NH3+])C(C)C)C1CC1 ZINC000225813676 487630030 /nfs/dbraw/zinc/63/00/30/487630030.db2.gz LGTQLHOLNBXAHZ-GFCCVEGCSA-N 1 3 241.379 0.960 10 0 BCAEHO C[C@@H]1CCCN1CC(=O)N1CCC[NH2+]CC1 ZINC000042354660 176108890 /nfs/dbraw/zinc/10/88/90/176108890.db2.gz AZELXUIMBQHKLQ-LLVKDONJSA-N 1 3 225.336 0.293 10 0 BCAEHO C[C@@H]1CCN([C@@H]2CCCN(C)C2)CC[NH2+]1 ZINC000049662311 176179903 /nfs/dbraw/zinc/17/99/03/176179903.db2.gz QWPKVWSVGLIYFM-VXGBXAGGSA-N 1 3 211.353 0.764 10 0 BCAEHO C[C@@H]1CC[NH2+][C@H](C(=O)N2CC[C@H](N(C)C)C2)C1 ZINC000127183623 176187395 /nfs/dbraw/zinc/18/73/95/176187395.db2.gz MVDOVQDIXOGFIL-WOPDTQHZSA-N 1 3 239.363 0.537 10 0 BCAEHO C[C@@H]1C[N@@H+](C2CCN(C)CC2)CCCN1 ZINC000062570476 176283653 /nfs/dbraw/zinc/28/36/53/176283653.db2.gz FHMQWCKZNAHFRC-LLVKDONJSA-N 1 3 211.353 0.764 10 0 BCAEHO C[C@@H]1C[N@H+](C2CCN(C)CC2)CCCN1 ZINC000062570476 176283655 /nfs/dbraw/zinc/28/36/55/176283655.db2.gz FHMQWCKZNAHFRC-LLVKDONJSA-N 1 3 211.353 0.764 10 0 BCAEHO C[C@@H]1C[C@@H](NCCn2cncn2)CC[N@@H+]1C ZINC000336679054 176376950 /nfs/dbraw/zinc/37/69/50/176376950.db2.gz WZLKVXLPENRHHM-MNOVXSKESA-N 1 3 223.324 0.350 10 0 BCAEHO C[C@@H]1C[C@@H](NCCn2cncn2)CC[N@H+]1C ZINC000336679054 176376952 /nfs/dbraw/zinc/37/69/52/176376952.db2.gz WZLKVXLPENRHHM-MNOVXSKESA-N 1 3 223.324 0.350 10 0 BCAEHO C[C@H](C(=O)NCCN1CCCC1)C1C[NH2+]C1 ZINC000129091303 176572215 /nfs/dbraw/zinc/57/22/15/176572215.db2.gz NCQISVGYTIVHSD-JTQLQIEISA-N 1 3 225.336 0.054 10 0 BCAEHO C[C@H]1[NH2+]CCC[C@@H]1C(=O)N1CCCNCC1 ZINC000335593355 177395214 /nfs/dbraw/zinc/39/52/14/177395214.db2.gz DUDBGSOLAJLGBH-MNOVXSKESA-N 1 3 225.336 0.196 10 0 BCAEHO CN(C)[C@@H]1CCN(C(=O)CC(C)(C)[NH3+])C1 ZINC000082772599 487729997 /nfs/dbraw/zinc/72/99/97/487729997.db2.gz XNXHRFBQNXIQQY-SECBINFHSA-N 1 3 213.325 0.276 10 0 BCAEHO CN1CCC[C@H](NC(=O)[C@H]2CCC[C@@H]2C[NH3+])C1 ZINC000250630305 487736575 /nfs/dbraw/zinc/73/65/75/487736575.db2.gz QYNJQLWOEXWUDI-WOPDTQHZSA-N 1 3 239.363 0.572 10 0 BCAEHO CN(CCNC(=O)[C@@H]1CCC[C@@H]1C[NH3+])C1CC1 ZINC000089461989 487823937 /nfs/dbraw/zinc/82/39/37/487823937.db2.gz YBDKCFYANLFRPI-ZYHUDNBSSA-N 1 3 239.363 0.572 10 0 BCAEHO CC[N@@H+]1CCC[C@@H]1CN(C)C[C@H]1CNCCO1 ZINC000252570687 487827066 /nfs/dbraw/zinc/82/70/66/487827066.db2.gz AITUYAOZUWXENY-CHWSQXEVSA-N 1 3 241.379 0.391 10 0 BCAEHO CC[N@H+]1CCC[C@@H]1CN(C)C[C@H]1CNCCO1 ZINC000252570687 487827072 /nfs/dbraw/zinc/82/70/72/487827072.db2.gz AITUYAOZUWXENY-CHWSQXEVSA-N 1 3 241.379 0.391 10 0 BCAEHO COC[C@H](C)N[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000666774627 487878539 /nfs/dbraw/zinc/87/85/39/487878539.db2.gz GAROMHGWOSFTSE-GARJFASQSA-N 1 3 200.326 0.999 10 0 BCAEHO COC[C@H](C)[NH2+][C@@H](C)[C@@H]1CCCNC1 ZINC000666774627 487878541 /nfs/dbraw/zinc/87/85/41/487878541.db2.gz GAROMHGWOSFTSE-GARJFASQSA-N 1 3 200.326 0.999 10 0 BCAEHO CC(C)NCC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000227455511 487909541 /nfs/dbraw/zinc/90/95/41/487909541.db2.gz VJBJLBIWPWQUSD-RYUDHWBXSA-N 1 3 239.363 0.680 10 0 BCAEHO CC(C)NCC(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC000227455511 487909547 /nfs/dbraw/zinc/90/95/47/487909547.db2.gz VJBJLBIWPWQUSD-RYUDHWBXSA-N 1 3 239.363 0.680 10 0 BCAEHO CC(C)[C@@H]([NH3+])CC(=O)NCCOCCN(C)C ZINC000232681789 487953657 /nfs/dbraw/zinc/95/36/57/487953657.db2.gz ACBUXWKVXXCVII-NSHDSACASA-N 1 3 245.367 0.054 10 0 BCAEHO CCC[C@H](N)C(=O)N1C[C@H](C[NH3+])C[C@@H]1C ZINC000309361340 323345957 /nfs/dbraw/zinc/34/59/57/323345957.db2.gz AMJIWXLOXJTNQG-GUBZILKMSA-N 1 3 213.325 0.310 10 0 BCAEHO CC[C@H](C)[C@@H](N)C(=O)N1CC[C@@H]([NH2+]C)C1 ZINC000309659502 488026807 /nfs/dbraw/zinc/02/68/07/488026807.db2.gz AOYPCACEJJJNCL-IVZWLZJFSA-N 1 3 213.325 0.180 10 0 BCAEHO C[C@H](CNC(=O)[C@H]1CCC[C@@H]1C[NH3+])N(C)C ZINC000084309977 488044173 /nfs/dbraw/zinc/04/41/73/488044173.db2.gz RAAZQDULUPTMMR-MXWKQRLJSA-N 1 3 227.352 0.428 10 0 BCAEHO CN(C)[C@@H]1CCN(C(=O)C[C@H]2CC[NH2+]C2)C1 ZINC000084383393 488048990 /nfs/dbraw/zinc/04/89/90/488048990.db2.gz SLFYGDGLRQBGCU-GHMZBOCLSA-N 1 3 225.336 0.149 10 0 BCAEHO CCC[C@@H](N)C(=O)N[C@@H]1CC[N@H+](CCC)C1 ZINC000389170449 488079673 /nfs/dbraw/zinc/07/96/73/488079673.db2.gz NSMFRQOPHROKJI-GHMZBOCLSA-N 1 3 227.352 0.714 10 0 BCAEHO CCC[C@@H](N)C(=O)N[C@@H]1CC[N@@H+](CCC)C1 ZINC000389170449 488079678 /nfs/dbraw/zinc/07/96/78/488079678.db2.gz NSMFRQOPHROKJI-GHMZBOCLSA-N 1 3 227.352 0.714 10 0 BCAEHO CC(C)[C@@H]([NH3+])CC(=O)NC[C@H]1CCCN(C)C1 ZINC000136445082 488103482 /nfs/dbraw/zinc/10/34/82/488103482.db2.gz NXCUJVTUGOFHLJ-NEPJUHHUSA-N 1 3 241.379 0.818 10 0 BCAEHO CC(C)[C@H]([NH3+])CC(=O)NC[C@H](C)N1CCCC1 ZINC000136496229 488105934 /nfs/dbraw/zinc/10/59/34/488105934.db2.gz PQEGXNMOLFWKNQ-NWDGAFQWSA-N 1 3 241.379 0.960 10 0 BCAEHO COC[C@@H](C)NCCC[NH2+][C@H](C)COC ZINC000389885029 488121820 /nfs/dbraw/zinc/12/18/20/488121820.db2.gz QWNQEDDOBZUUNN-GHMZBOCLSA-N 1 3 218.341 0.626 10 0 BCAEHO O=C(CNC1CC1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000037812645 490168532 /nfs/dbraw/zinc/16/85/32/490168532.db2.gz SNYPRRDQTHTGEO-LLVKDONJSA-N 1 3 223.320 0.045 10 0 BCAEHO O=C(CNC1CC1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000037812645 490168536 /nfs/dbraw/zinc/16/85/36/490168536.db2.gz SNYPRRDQTHTGEO-LLVKDONJSA-N 1 3 223.320 0.045 10 0 BCAEHO CCN(CC)CC(=O)N1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261954348 535491955 /nfs/dbraw/zinc/49/19/55/535491955.db2.gz KIZWTKDNCDHILI-NSHDSACASA-N 1 3 241.379 0.914 10 0 BCAEHO CC(C)N(C)CCN[C@H](C)[C@H]1CC[NH2+]C1 ZINC000400347800 528824204 /nfs/dbraw/zinc/82/42/04/528824204.db2.gz IISFDNAJHHQZMD-NEPJUHHUSA-N 1 3 213.369 0.914 10 0 BCAEHO CC[C@H](CN[C@@H](C)[C@@H]1CC[NH2+]C1)OC ZINC000400555270 529368417 /nfs/dbraw/zinc/36/84/17/529368417.db2.gz ZASVNQOHFWTJIG-HBNTYKKESA-N 1 3 200.326 0.999 10 0 BCAEHO CC(C)(C)[C@@H](CO)[NH2+]C[C@@H]1CCCNC1 ZINC000261533453 535047328 /nfs/dbraw/zinc/04/73/28/535047328.db2.gz BAKDYSQGIQWAFQ-GHMZBOCLSA-N 1 3 214.353 0.983 10 0 BCAEHO CC(C)(C)[C@@H](CO)NC[C@@H]1CCC[NH2+]C1 ZINC000261533453 535047331 /nfs/dbraw/zinc/04/73/31/535047331.db2.gz BAKDYSQGIQWAFQ-GHMZBOCLSA-N 1 3 214.353 0.983 10 0 BCAEHO CCC[C@@H](N)C(=O)N[C@@](C)(C[NH3+])C1CC1 ZINC000261542672 535347827 /nfs/dbraw/zinc/34/78/27/535347827.db2.gz HDMASAZAJYWCLL-KOLCDFICSA-N 1 3 213.325 0.357 10 0 BCAEHO CCN(CC)CC(=O)N1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261954345 535491858 /nfs/dbraw/zinc/49/18/58/535491858.db2.gz KIZWTKDNCDHILI-LLVKDONJSA-N 1 3 241.379 0.914 10 0 BCAEHO CCC[C@@](C)(N)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000261533182 535523392 /nfs/dbraw/zinc/52/33/92/535523392.db2.gz AWDQSDAOVFFHIH-GXSJLCMTSA-N 1 3 213.325 0.454 10 0 BCAEHO CCC[C@H](N)C(=O)N[C@@](C)(C[NH3+])C(C)C ZINC000261539783 535677445 /nfs/dbraw/zinc/67/74/45/535677445.db2.gz DDEKGASMRVWXJO-ONGXEEELSA-N 1 3 215.341 0.603 10 0 BCAEHO CCC[C@H](N)C(=O)N[C@](C)(C[NH3+])C1CC1 ZINC000261542671 535679967 /nfs/dbraw/zinc/67/99/67/535679967.db2.gz HDMASAZAJYWCLL-GXSJLCMTSA-N 1 3 213.325 0.357 10 0 BCAEHO CCC[C@](C)(N)C(=O)N1CC[C@@H]([NH3+])[C@H]1C ZINC000261541100 535760664 /nfs/dbraw/zinc/76/06/64/535760664.db2.gz FNDPLQUSUJXMLY-KKZNHRDASA-N 1 3 213.325 0.452 10 0 BCAEHO C[NH2+][C@H](C)CNC(=O)CN1[C@H](C)CC[C@@H]1C ZINC000261702582 536391949 /nfs/dbraw/zinc/39/19/49/536391949.db2.gz JIEOKFSCOMJNCE-MXWKQRLJSA-N 1 3 227.352 0.583 10 0 BCAEHO C[NH2+][C@H](C)CNC(=O)[C@@H](N)CC(C)C ZINC000261537835 536398737 /nfs/dbraw/zinc/39/87/37/536398737.db2.gz WKCSHQZPYPFRLE-BDAKNGLRSA-N 1 3 201.314 0.084 10 0 BCAEHO C1CC1N1CCC2(CC1)[NH2+]CC1(COC1)CO2 ZINC000757147085 582530348 /nfs/dbraw/zinc/53/03/48/582530348.db2.gz RXPJKCVYAIYHOA-UHFFFAOYSA-N 1 3 238.331 0.577 10 0 BCAEHO CCN1CCN(C2CCN(CC[NH3+])CC2)CC1 ZINC000259143221 582806356 /nfs/dbraw/zinc/80/63/56/582806356.db2.gz FAENYIYQEOAUBK-UHFFFAOYSA-N 1 3 240.395 0.047 10 0 BCAEHO N[C@@H]1CC[NH2+]C[C@@H]1c1ccc(C=O)s1 ZINC000757211748 586439033 /nfs/dbraw/zinc/43/90/33/586439033.db2.gz IRRNYTIDPJLBBJ-DTWKUNHWSA-N 1 3 210.302 0.965 10 0 BCAEHO N[C@@H]1CC[NH2+]C[C@H]1c1ccc(C=O)s1 ZINC000757211752 586439087 /nfs/dbraw/zinc/43/90/87/586439087.db2.gz IRRNYTIDPJLBBJ-RKDXNWHRSA-N 1 3 210.302 0.965 10 0 BCAEHO NC[C@@H]1C[NH2+]C[C@@H](c2cccc(N)c2)C1 ZINC000757212345 586439486 /nfs/dbraw/zinc/43/94/86/586439486.db2.gz IJWRMZNZQGGTBM-KOLCDFICSA-N 1 3 205.305 0.921 10 0 BCAEHO Nc1cccc([C@@H]2CNC[C@@H](C[NH3+])C2)c1 ZINC000757212345 586439488 /nfs/dbraw/zinc/43/94/88/586439488.db2.gz IJWRMZNZQGGTBM-KOLCDFICSA-N 1 3 205.305 0.921 10 0 BCAEHO C[C@H]1CN(c2ccnc(CO)c2)C[C@@H]1[NH+](C)C ZINC000124785065 590085552 /nfs/dbraw/zinc/08/55/52/590085552.db2.gz FKAAGLFREJPDMB-GWCFXTLKSA-N 1 3 235.331 0.960 10 0 BCAEHO CCC[C@H](N)C(=O)NCC1(C)CC[NH2+]CC1 ZINC000181283912 632644716 /nfs/dbraw/zinc/64/47/16/632644716.db2.gz OOOAPBFDMIBZBW-JTQLQIEISA-N 1 3 227.352 0.620 10 0 BCAEHO CC(C)OC[C@H](O)CN1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000168550944 633144806 /nfs/dbraw/zinc/14/48/06/633144806.db2.gz NOWWZHFKOCHRCL-GRYCIOLGSA-N 1 3 230.352 0.441 10 0 BCAEHO C(CN1CCSCC1)N[C@@H]1CCC[NH2+]CC1 ZINC000230931720 635236154 /nfs/dbraw/zinc/23/61/54/635236154.db2.gz FBJBEJBUSYQRHA-GFCCVEGCSA-N 1 3 243.420 0.767 10 0 BCAEHO C(CN1CCSCC1)N[C@H]1CCC[NH2+]CC1 ZINC000230931722 635236403 /nfs/dbraw/zinc/23/64/03/635236403.db2.gz FBJBEJBUSYQRHA-LBPRGKRZSA-N 1 3 243.420 0.767 10 0 BCAEHO CCC[C@H](N)C(=O)N1CCC[C@@H]1C[NH2+]C ZINC000236803355 635261676 /nfs/dbraw/zinc/26/16/76/635261676.db2.gz NVUOFVQLHYVSMT-ZJUUUORDSA-N 1 3 213.325 0.324 10 0 BCAEHO CCN(CC)CC(=O)N[C@H]1CCC[NH2+][C@@H]1C ZINC000193501830 644247804 /nfs/dbraw/zinc/24/78/04/644247804.db2.gz WPNMIOZTSSZVFS-MNOVXSKESA-N 1 3 227.352 0.585 10 0 BCAEHO C[C@H]1[NH2+]CCC[C@@H]1NC(=O)[C@@H](N)C(C)(C)C ZINC000193566382 644255015 /nfs/dbraw/zinc/25/50/15/644255015.db2.gz JOQBCTLVHBGJES-KXUCPTDWSA-N 1 3 227.352 0.617 10 0 BCAEHO C[NH+](C)[C@H]1CCN(C(=O)[C@@H](N)CC2CC2)C1 ZINC000304308555 644889171 /nfs/dbraw/zinc/88/91/71/644889171.db2.gz CKQRADUJCGRKOJ-QWRGUYRKSA-N 1 3 225.336 0.276 10 0 BCAEHO C[C@@H]1CN(C[C@H](O)C[NH+]2CCCC2)C[C@H]1CO ZINC000708560368 712212925 /nfs/dbraw/zinc/21/29/25/712212925.db2.gz ZCQLPZFKSUEZHZ-FRRDWIJNSA-N 1 3 242.363 0.003 10 0 BCAEHO CCC[C@H]([NH3+])C(=O)N1CC[C@H]2[C@@H]1CCCN2C ZINC000720905309 712876828 /nfs/dbraw/zinc/87/68/28/712876828.db2.gz ZGWIJQZXEMGTNN-SRVKXCTJSA-N 1 3 239.363 0.809 10 0 BCAEHO [NH3+][C@@H]1CC[C@@H]2CN(CCO[C@@H]3CCOC3)C[C@H]12 ZINC000724919771 711627952 /nfs/dbraw/zinc/62/79/52/711627952.db2.gz AGYOJVPDEKJSGF-FVCCEPFGSA-N 1 3 240.347 0.461 10 0 BCAEHO NC(=O)C1CC(N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000716682724 712569757 /nfs/dbraw/zinc/56/97/57/712569757.db2.gz DRVICHOOIYLWGY-RSJDFQLWSA-N 1 3 237.347 0.467 10 0 BCAEHO NC(=O)C1CC(N[C@@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000716682724 712569758 /nfs/dbraw/zinc/56/97/58/712569758.db2.gz DRVICHOOIYLWGY-RSJDFQLWSA-N 1 3 237.347 0.467 10 0 BCAEHO NC(=O)C1CC(N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000716682726 712570104 /nfs/dbraw/zinc/57/01/04/712570104.db2.gz DRVICHOOIYLWGY-RUJICJSRSA-N 1 3 237.347 0.467 10 0 BCAEHO NC(=O)C1CC(N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000716682726 712570105 /nfs/dbraw/zinc/57/01/05/712570105.db2.gz DRVICHOOIYLWGY-RUJICJSRSA-N 1 3 237.347 0.467 10 0 BCAEHO NC(=O)C1CC(NC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000716687863 712570244 /nfs/dbraw/zinc/57/02/44/712570244.db2.gz SXRQZRJIHGQBST-YFYNPKGQSA-N 1 3 223.320 0.123 10 0 BCAEHO C[C@H](CCCC[NH3+])N[C@@H](C)c1cn(C)nn1 ZINC000720585468 712854896 /nfs/dbraw/zinc/85/48/96/712854896.db2.gz XQMKIYSVPKQQHI-ZJUUUORDSA-N 1 3 225.340 0.983 10 0 BCAEHO CN(CCNC(=O)C[C@@H]1CCC[NH2+]C1)C1CC1 ZINC000062010197 349436440 /nfs/dbraw/zinc/43/64/40/349436440.db2.gz LYIDCQDUJGQIOK-NSHDSACASA-N 1 3 239.363 0.587 10 0 BCAEHO CC[C@H](C)[C@@H](N)C(=O)N[C@H](C)CC[NH3+] ZINC000389872930 398143219 /nfs/dbraw/zinc/14/32/19/398143219.db2.gz KGNDKIJVEXSDGS-DJLDLDEBSA-N 1 3 201.314 0.213 10 0 BCAEHO CC[NH+](CC)[C@@H]1CCN(C(=O)[C@@H](C)NC)C1 ZINC000062972821 349503246 /nfs/dbraw/zinc/50/32/46/349503246.db2.gz IOFRIXCZYURTFP-GHMZBOCLSA-N 1 3 227.352 0.537 10 0 BCAEHO C[C@H]([C@H](C)N)[NH+]1CCC([C@H](C)O)CC1 ZINC000307511896 398173894 /nfs/dbraw/zinc/17/38/94/398173894.db2.gz LXEQDSOWDMSERX-AEJSXWLSSA-N 1 3 200.326 0.815 10 0 BCAEHO CCN1CCC[C@H]1CN(C)C(=O)[C@@H](C)C[NH2+]C ZINC000092629607 398235517 /nfs/dbraw/zinc/23/55/17/398235517.db2.gz WBLLQMVUMVYPCV-RYUDHWBXSA-N 1 3 241.379 0.785 10 0 BCAEHO Nc1ccncc1C(=O)[C@H]1C=C[C@H]([NH3+])C1 ZINC000226561042 342829155 /nfs/dbraw/zinc/82/91/55/342829155.db2.gz KFZXFKJXJQWVMM-YUMQZZPRSA-N 1 3 203.245 0.750 10 0 BCAEHO C[C@H](C(N)=S)[NH+]1CCC(N(C)C)CC1 ZINC000043514112 343115762 /nfs/dbraw/zinc/11/57/62/343115762.db2.gz LGGSIDYYLZMHEC-MRVPVSSYSA-N 1 3 215.366 0.687 10 0 BCAEHO CC1(O)CCN([C@H]2CCC[NH2+]CC2)CC1 ZINC000168812986 343210529 /nfs/dbraw/zinc/21/05/29/343210529.db2.gz XDSBXZKKPUODQS-NSHDSACASA-N 1 3 212.337 0.975 10 0 BCAEHO CC1(O)CC[NH+]([C@H]2CCCNCC2)CC1 ZINC000168812986 343210532 /nfs/dbraw/zinc/21/05/32/343210532.db2.gz XDSBXZKKPUODQS-NSHDSACASA-N 1 3 212.337 0.975 10 0 BCAEHO CN(C)[C@H]1CCN(C(=O)CC[C@@H]2CC[NH2+]C2)C1 ZINC000134562459 343195050 /nfs/dbraw/zinc/19/50/50/343195050.db2.gz QEQCZUVWUVFCHG-NEPJUHHUSA-N 1 3 239.363 0.539 10 0 BCAEHO CC(C)[N@H+](C)[C@H]1CC2(CC[C@@H]1N)OCCO2 ZINC000023066583 344030665 /nfs/dbraw/zinc/03/06/65/344030665.db2.gz ODRXWHTZVQFKTP-QWRGUYRKSA-N 1 3 228.336 0.950 10 0 BCAEHO CC(C)[N@@H+](C)[C@H]1CC2(CC[C@@H]1N)OCCO2 ZINC000023066583 344030668 /nfs/dbraw/zinc/03/06/68/344030668.db2.gz ODRXWHTZVQFKTP-QWRGUYRKSA-N 1 3 228.336 0.950 10 0 BCAEHO C[C@@H](CN1CCCSCC1)C(N)=[NH2+] ZINC000042444050 343438515 /nfs/dbraw/zinc/43/85/15/343438515.db2.gz IBRDTTUCRPUTAX-QMMMGPOBSA-N 1 3 201.339 0.997 10 0 BCAEHO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)[C@@H](C)N ZINC000086188873 343613676 /nfs/dbraw/zinc/61/36/76/343613676.db2.gz PZGFLEBUPBKANG-ZJUUUORDSA-N 1 3 213.325 0.276 10 0 BCAEHO CC[N@H+]1CCC[C@H]1CN(C)C(=O)[C@@H](C)N ZINC000086188873 343613677 /nfs/dbraw/zinc/61/36/77/343613677.db2.gz PZGFLEBUPBKANG-ZJUUUORDSA-N 1 3 213.325 0.276 10 0 BCAEHO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)CNC ZINC000086188869 343613767 /nfs/dbraw/zinc/61/37/67/343613767.db2.gz CUHPQQODOOHAPQ-JTQLQIEISA-N 1 3 213.325 0.149 10 0 BCAEHO CC[N@H+]1CCC[C@H]1CN(C)C(=O)CNC ZINC000086188869 343613768 /nfs/dbraw/zinc/61/37/68/343613768.db2.gz CUHPQQODOOHAPQ-JTQLQIEISA-N 1 3 213.325 0.149 10 0 BCAEHO CCC[C@@H](N)C(=O)NCCC[NH2+]CC ZINC000309025143 346954755 /nfs/dbraw/zinc/95/47/55/346954755.db2.gz ZLBMAFFWCUTXRI-SECBINFHSA-N 1 3 201.314 0.230 10 0 BCAEHO [NH3+]C[C@@H]1CCCCN1C(=O)CNC1CC1 ZINC000153912698 343706344 /nfs/dbraw/zinc/70/63/44/343706344.db2.gz HBYBSVDNYTUTIO-JTQLQIEISA-N 1 3 211.309 0.078 10 0 BCAEHO [NH3+]CC1(O)CCN([C@H]2CCSC2)CC1 ZINC000238620267 345092980 /nfs/dbraw/zinc/09/29/80/345092980.db2.gz XBFVTYBJUVZRFA-VIFPVBQESA-N 1 3 216.350 0.278 10 0 BCAEHO CCN1CCC[C@H](NC(=O)[C@@H]2CC[C@@H]([NH3+])C2)C1 ZINC000227795928 345272459 /nfs/dbraw/zinc/27/24/59/345272459.db2.gz LTFJBELSHVTYHV-UTUOFQBUSA-N 1 3 239.363 0.714 10 0 BCAEHO CN(C)CCn1cc([C@@H]2CCC[NH2+]2)nn1 ZINC000725241901 537982114 /nfs/dbraw/zinc/98/21/14/537982114.db2.gz VPEPSXVQJAKZQR-VIFPVBQESA-N 1 3 209.297 0.264 10 0 BCAEHO Cc1cccc(OC[C@@H](O)CNCCC[NH3+])c1 ZINC000051355957 179171412 /nfs/dbraw/zinc/17/14/12/179171412.db2.gz QTXMDYCVBVSMMB-LBPRGKRZSA-N 1 3 238.331 0.673 10 0 BCAEHO CC[C@@H](N)C(=O)N(C)[C@H]1CCC[NH2+]CC1 ZINC000309831594 347178461 /nfs/dbraw/zinc/17/84/61/347178461.db2.gz YSLKKOHQMIODIN-VHSXEESVSA-N 1 3 213.325 0.324 10 0 BCAEHO [NH3+][C@H]1C[C@H]2CN(Cc3ccccc3)CCN2C1 ZINC000250636555 362814444 /nfs/dbraw/zinc/81/44/44/362814444.db2.gz AIAVGVUKMQGAHP-KBPBESRZSA-N 1 3 231.343 0.904 10 0 BCAEHO C[C@H]1CCN(C(=O)C2CCN(C)CC2)C[C@H]1[NH3+] ZINC000616569110 347575557 /nfs/dbraw/zinc/57/55/57/347575557.db2.gz HXWMNRMOKLVQMG-CMPLNLGQSA-N 1 3 239.363 0.524 10 0 BCAEHO C[C@H]1CCN(C(=O)C2CCN(C)CC2)C[C@@H]1[NH3+] ZINC000616569111 347575676 /nfs/dbraw/zinc/57/56/76/347575676.db2.gz HXWMNRMOKLVQMG-JQWIXIFHSA-N 1 3 239.363 0.524 10 0 BCAEHO CN(C[C@H]1C[C@]2(CC[NH2+]C2)CO1)C1CC1 ZINC000669382895 538004020 /nfs/dbraw/zinc/00/40/20/538004020.db2.gz NLBGKVRQSCACLP-NEPJUHHUSA-N 1 3 210.321 0.849 10 0 BCAEHO CCN1CCC[C@@H]1CNC(=O)[C@@H](C)[NH2+]C ZINC000054071687 348873832 /nfs/dbraw/zinc/87/38/32/348873832.db2.gz VGRAIZYZNVZHKZ-NXEZZACHSA-N 1 3 213.325 0.195 10 0 BCAEHO CN[C@H](C)C(=O)NCC1([NH+](C)C)CCCCC1 ZINC000054076114 348878723 /nfs/dbraw/zinc/87/87/23/348878723.db2.gz YUJLILUNASIBBN-LLVKDONJSA-N 1 3 241.379 0.975 10 0 BCAEHO Cc1cc([C@H]2CC[NH2+]C[C@@H]2N)cc(N)n1 ZINC000669385069 538019360 /nfs/dbraw/zinc/01/93/60/538019360.db2.gz WHMRVVYPAUIWCY-ZJUUUORDSA-N 1 3 206.293 0.376 10 0 BCAEHO Cc1cc([C@H]2CCNC[C@@H]2[NH3+])cc(N)n1 ZINC000669385069 538019365 /nfs/dbraw/zinc/01/93/65/538019365.db2.gz WHMRVVYPAUIWCY-ZJUUUORDSA-N 1 3 206.293 0.376 10 0 BCAEHO CC[C@@H](N)C(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000250234541 349168812 /nfs/dbraw/zinc/16/88/12/349168812.db2.gz HBXIQPSTUIZWQX-GMTAPVOTSA-N 1 3 225.336 0.419 10 0 BCAEHO CC[C@@H](N)C(=O)N1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC000250234541 349168814 /nfs/dbraw/zinc/16/88/14/349168814.db2.gz HBXIQPSTUIZWQX-GMTAPVOTSA-N 1 3 225.336 0.419 10 0 BCAEHO CN(C)[C@H]1CCN(C(=O)[C@]2(C)CCC[NH2+]2)C1 ZINC000070619352 350029680 /nfs/dbraw/zinc/02/96/80/350029680.db2.gz AJEDOOLIOILYPY-JQWIXIFHSA-N 1 3 225.336 0.291 10 0 BCAEHO CC(C)C[C@@H](CN(C)C)NC(=O)C[C@@H](C)[NH3+] ZINC000037476474 191069184 /nfs/dbraw/zinc/06/91/84/191069184.db2.gz GJZVNCCAQGAHGF-MNOVXSKESA-N 1 3 229.368 0.816 10 0 BCAEHO [NH3+][C@@H]1CC[C@H](C(=O)Nc2ccnn2C2CNC2)C1 ZINC000725258002 538071107 /nfs/dbraw/zinc/07/11/07/538071107.db2.gz CQBGRPIMMSUKCW-DTWKUNHWSA-N 1 3 249.318 0.093 10 0 BCAEHO CC[C@](C)(N)C(=O)Nc1ccnn1C1C[NH2+]C1 ZINC000725258152 538071766 /nfs/dbraw/zinc/07/17/66/538071766.db2.gz IWOWWYSHARWDBW-NSHDSACASA-N 1 3 237.307 0.093 10 0 BCAEHO C[C@]1(C(=O)Nc2ccnn2C2CNC2)CCC[NH2+]1 ZINC000725258477 538075389 /nfs/dbraw/zinc/07/53/89/538075389.db2.gz QGYVZGUSWSEYDR-GFCCVEGCSA-N 1 3 249.318 0.108 10 0 BCAEHO CSCC[C@H](N)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000309408441 350371471 /nfs/dbraw/zinc/37/14/71/350371471.db2.gz IEUULKQSKANFNL-IUCAKERBSA-N 1 3 231.365 0.017 10 0 BCAEHO CCC[C@@H](N)C(=O)NC[C@H](C)[NH+]1CCCC1 ZINC000161075534 351025605 /nfs/dbraw/zinc/02/56/05/351025605.db2.gz QMNCBEMYGSFEQB-WDEREUQCSA-N 1 3 227.352 0.714 10 0 BCAEHO CCC[C@H](N)C(=O)NC[C@@H](C)[NH+]1CCCC1 ZINC000161075151 351026116 /nfs/dbraw/zinc/02/61/16/351026116.db2.gz QMNCBEMYGSFEQB-MNOVXSKESA-N 1 3 227.352 0.714 10 0 BCAEHO [NH3+]CC[C@H]1CN(Cc2ccccc2)CCN1 ZINC000616633070 351114789 /nfs/dbraw/zinc/11/47/89/351114789.db2.gz HENWOGOXRUIEIU-ZDUSSCGKSA-N 1 3 219.332 0.809 10 0 BCAEHO COc1cccc([C@@H]2CN(CC[NH3+])CCN2)c1 ZINC000616634396 351117192 /nfs/dbraw/zinc/11/71/92/351117192.db2.gz RMMPCMOKDSRLTK-ZDUSSCGKSA-N 1 3 235.331 0.600 10 0 BCAEHO CN(C)C1CN(c2ncc(C[NH3+])s2)C1 ZINC000307253530 351780694 /nfs/dbraw/zinc/78/06/94/351780694.db2.gz VNGGFKLBXQKWRY-UHFFFAOYSA-N 1 3 212.322 0.352 10 0 BCAEHO CC[NH2+][C@H](C)C(=O)N1CC[C@@H](N(C)C)C1 ZINC000638274411 352111510 /nfs/dbraw/zinc/11/15/10/352111510.db2.gz HWFRCYGOQKOTTR-NXEZZACHSA-N 1 3 213.325 0.147 10 0 BCAEHO CC[NH2+][C@@H](C)C(=O)N1CC[C@H](N(C)C)C1 ZINC000638274413 352111676 /nfs/dbraw/zinc/11/16/76/352111676.db2.gz HWFRCYGOQKOTTR-UWVGGRQHSA-N 1 3 213.325 0.147 10 0 BCAEHO COC(=O)CCN[C@@H]1C[C@H]([NH3+])C1(C)C ZINC000405201303 352115359 /nfs/dbraw/zinc/11/53/59/352115359.db2.gz CVOFPCWRBQFJSD-JGVFFNPUSA-N 1 3 200.282 0.265 10 0 BCAEHO COC(=O)CC[NH2+][C@@H]1C[C@H](N)C1(C)C ZINC000405201303 352115362 /nfs/dbraw/zinc/11/53/62/352115362.db2.gz CVOFPCWRBQFJSD-JGVFFNPUSA-N 1 3 200.282 0.265 10 0 BCAEHO CCN1CCC[C@H](NC(=O)C(C)(C)C[NH3+])C1 ZINC000044752051 352656182 /nfs/dbraw/zinc/65/61/82/352656182.db2.gz CLSLEAOTEAXVCX-JTQLQIEISA-N 1 3 227.352 0.572 10 0 BCAEHO CCN1CCC[C@@H](NC(=O)C(C)(C)C[NH3+])C1 ZINC000044752053 352656670 /nfs/dbraw/zinc/65/66/70/352656670.db2.gz CLSLEAOTEAXVCX-SNVBAGLBSA-N 1 3 227.352 0.572 10 0 BCAEHO C[C@@H]1CSCCN(CC2C[NH2+]C2)C1 ZINC000307590817 352661945 /nfs/dbraw/zinc/66/19/45/352661945.db2.gz CSILEAKXMDETNO-VIFPVBQESA-N 1 3 200.351 0.891 10 0 BCAEHO C[C@@H]1CSCC[N@H+](CC2CNC2)C1 ZINC000307590817 352661948 /nfs/dbraw/zinc/66/19/48/352661948.db2.gz CSILEAKXMDETNO-VIFPVBQESA-N 1 3 200.351 0.891 10 0 BCAEHO C[C@@H]1CSCC[N@@H+](CC2CNC2)C1 ZINC000307590817 352661949 /nfs/dbraw/zinc/66/19/49/352661949.db2.gz CSILEAKXMDETNO-VIFPVBQESA-N 1 3 200.351 0.891 10 0 BCAEHO CC(C)N1CCN(C[C@@H]2CCC[NH2+]2)CC1 ZINC000036190212 188103672 /nfs/dbraw/zinc/10/36/72/188103672.db2.gz RGAJIRPQYDVLOJ-LBPRGKRZSA-N 1 3 211.353 0.764 10 0 BCAEHO CC(C)N1CCN(C2CC[NH2+]CC2)CC1 ZINC000019688671 188107983 /nfs/dbraw/zinc/10/79/83/188107983.db2.gz PXULXXQIHKDVRK-UHFFFAOYSA-N 1 3 211.353 0.764 10 0 BCAEHO CC(C)[C@@H](N)C(=O)N[C@H]1CCC[C@@H]1C[NH3+] ZINC000261594937 535207232 /nfs/dbraw/zinc/20/72/32/535207232.db2.gz XVFDTONOFSCQTO-KXUCPTDWSA-N 1 3 213.325 0.213 10 0 BCAEHO CC(C)[C@H](CN(C)C)NC(=O)C1([NH3+])CCCC1 ZINC000049221251 188124825 /nfs/dbraw/zinc/12/48/25/188124825.db2.gz UHKHZOPZLVIMRC-NSHDSACASA-N 1 3 241.379 0.960 10 0 BCAEHO CC(C)[C@H](CN(C)C)N1C[C@H]([NH3+])CC1=O ZINC000049224561 188152505 /nfs/dbraw/zinc/15/25/05/188152505.db2.gz LAVOUWLTQGTXPB-ZJUUUORDSA-N 1 3 213.325 0.132 10 0 BCAEHO CC(C)[C@H](N)C(=O)N[C@H]1CCC[NH2+][C@H]1C ZINC000193566266 188175358 /nfs/dbraw/zinc/17/53/58/188175358.db2.gz IUGVXTLMVKZRLZ-GUBZILKMSA-N 1 3 213.325 0.226 10 0 BCAEHO CCC[C@H](N)C(=O)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000165320150 353299080 /nfs/dbraw/zinc/29/90/80/353299080.db2.gz QYJXSVYPDDOODI-RYUDHWBXSA-N 1 3 241.379 0.914 10 0 BCAEHO CCC[C@H](N)C(=O)N(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000165320150 353299082 /nfs/dbraw/zinc/29/90/82/353299082.db2.gz QYJXSVYPDDOODI-RYUDHWBXSA-N 1 3 241.379 0.914 10 0 BCAEHO CCN1CCC[C@H](NC(=O)[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000091540493 353409365 /nfs/dbraw/zinc/40/93/65/353409365.db2.gz LTFJBELSHVTYHV-WOPDTQHZSA-N 1 3 239.363 0.714 10 0 BCAEHO CCN1CCC[C@H](NC(=O)[C@H](C)C[NH3+])C1 ZINC000250386545 363278963 /nfs/dbraw/zinc/27/89/63/363278963.db2.gz XQSFFKOTJFIFNF-ZJUUUORDSA-N 1 3 213.325 0.182 10 0 BCAEHO NC(=O)[C@@H]1CCCN(C[C@H]2CCC[NH2+]C2)C1 ZINC000251517119 181268842 /nfs/dbraw/zinc/26/88/42/181268842.db2.gz WHNZKQHFXFTDPB-WDEREUQCSA-N 1 3 225.336 0.183 10 0 BCAEHO NC(=O)[C@@H]1CCC[N@H+](C[C@H]2CCCNC2)C1 ZINC000251517119 181268845 /nfs/dbraw/zinc/26/88/45/181268845.db2.gz WHNZKQHFXFTDPB-WDEREUQCSA-N 1 3 225.336 0.183 10 0 BCAEHO NC(=O)[C@@H]1CCC[N@@H+](C[C@H]2CCCNC2)C1 ZINC000251517119 181268846 /nfs/dbraw/zinc/26/88/46/181268846.db2.gz WHNZKQHFXFTDPB-WDEREUQCSA-N 1 3 225.336 0.183 10 0 BCAEHO NC(=O)[C@H]1CCCN(C[C@@H]2CCC[NH2+]C2)C1 ZINC000043493500 181280977 /nfs/dbraw/zinc/28/09/77/181280977.db2.gz WHNZKQHFXFTDPB-MNOVXSKESA-N 1 3 225.336 0.183 10 0 BCAEHO NC(=O)[C@H]1CCC[N@H+](C[C@@H]2CCCNC2)C1 ZINC000043493500 181280980 /nfs/dbraw/zinc/28/09/80/181280980.db2.gz WHNZKQHFXFTDPB-MNOVXSKESA-N 1 3 225.336 0.183 10 0 BCAEHO NC(=O)[C@H]1CCC[N@@H+](C[C@@H]2CCCNC2)C1 ZINC000043493500 181280982 /nfs/dbraw/zinc/28/09/82/181280982.db2.gz WHNZKQHFXFTDPB-MNOVXSKESA-N 1 3 225.336 0.183 10 0 BCAEHO CC[NH+]1CCC(n2cc(CN)nn2)CC1 ZINC000675051429 538474487 /nfs/dbraw/zinc/47/44/87/538474487.db2.gz KJFOLMIDROPVCF-UHFFFAOYSA-N 1 3 209.297 0.394 10 0 BCAEHO COC(=O)[C@]12C[C@@]1(CNC1CCC1)C[NH2+]C2 ZINC000675073445 538505575 /nfs/dbraw/zinc/50/55/75/538505575.db2.gz IYOZBQOFSBGIGN-NWDGAFQWSA-N 1 3 224.304 0.281 10 0 BCAEHO COC(=O)[C@]12C[C@@]1(C[NH2+]C1CCC1)CNC2 ZINC000675073445 538505577 /nfs/dbraw/zinc/50/55/77/538505577.db2.gz IYOZBQOFSBGIGN-NWDGAFQWSA-N 1 3 224.304 0.281 10 0 BCAEHO COCCN[C@@H]1C[C@@H]([NH3+])C12CCOCC2 ZINC000675079010 538517080 /nfs/dbraw/zinc/51/70/80/538517080.db2.gz DKQPSBALOHVOCA-NXEZZACHSA-N 1 3 214.309 0.119 10 0 BCAEHO COCC[NH2+][C@@H]1C[C@@H](N)C12CCOCC2 ZINC000675079010 538517081 /nfs/dbraw/zinc/51/70/81/538517081.db2.gz DKQPSBALOHVOCA-NXEZZACHSA-N 1 3 214.309 0.119 10 0 BCAEHO Cn1nccc1CCC1=C[C@@H]([NH3+])CNC1 ZINC000675079356 538517332 /nfs/dbraw/zinc/51/73/32/538517332.db2.gz XWYVMKUFTHMPRA-SNVBAGLBSA-N 1 3 206.293 0.210 10 0 BCAEHO CCC[C@H](N)C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000390548687 357103047 /nfs/dbraw/zinc/10/30/47/357103047.db2.gz NSEHGLMVXCQCTA-UWVGGRQHSA-N 1 3 213.325 0.230 10 0 BCAEHO CC(C)NCc1cnn2c1C[C@H]([NH3+])CC2 ZINC000685947449 538889274 /nfs/dbraw/zinc/88/92/74/538889274.db2.gz VPYZOMBANDLUSL-SNVBAGLBSA-N 1 3 208.309 0.655 10 0 BCAEHO [NH3+][C@H]1CC[C@H](C(=O)NCCN2CCCC2)C1 ZINC000085010216 134221096 /nfs/dbraw/zinc/22/10/96/134221096.db2.gz VUDLTDDOSIBJBI-QWRGUYRKSA-N 1 3 225.336 0.326 10 0 BCAEHO C[NH2+][C@H](C)C(=O)N1CC[C@H]2CC[C@@H](C1)N2C ZINC000085975916 358001241 /nfs/dbraw/zinc/00/12/41/358001241.db2.gz UFVGVLUDSAAQAS-MXWKQRLJSA-N 1 3 225.336 0.289 10 0 BCAEHO C[C@H]1C[C@H](N)CC[N@@H+]1CCC(C)(C)O ZINC000168967044 358001735 /nfs/dbraw/zinc/00/17/35/358001735.db2.gz NJHNTAXHQHQNKX-VHSXEESVSA-N 1 3 200.326 0.959 10 0 BCAEHO C[C@H]1C[C@H](N)CC[N@H+]1CCC(C)(C)O ZINC000168967044 358001738 /nfs/dbraw/zinc/00/17/38/358001738.db2.gz NJHNTAXHQHQNKX-VHSXEESVSA-N 1 3 200.326 0.959 10 0 BCAEHO [NH3+][C@H]1CCCN(C(=O)[C@@H]2CCCCN2)C1 ZINC000170786923 134253993 /nfs/dbraw/zinc/25/39/93/134253993.db2.gz JMOPRCGYUUJHOU-UWVGGRQHSA-N 1 3 211.309 0.078 10 0 BCAEHO CC[C@@H](N)C(=O)N(C)C[C@H]1CCC[N@@H+]1CC ZINC000086188857 358442691 /nfs/dbraw/zinc/44/26/91/358442691.db2.gz NULDYXIVCWEVIW-GHMZBOCLSA-N 1 3 227.352 0.666 10 0 BCAEHO CC[C@@H](N)C(=O)N(C)C[C@H]1CCC[N@H+]1CC ZINC000086188857 358442693 /nfs/dbraw/zinc/44/26/93/358442693.db2.gz NULDYXIVCWEVIW-GHMZBOCLSA-N 1 3 227.352 0.666 10 0 BCAEHO CC[C@@H](N)C(=O)N(C)C[C@@H]1CCC[N@@H+]1CC ZINC000086188856 358442950 /nfs/dbraw/zinc/44/29/50/358442950.db2.gz NULDYXIVCWEVIW-WDEREUQCSA-N 1 3 227.352 0.666 10 0 BCAEHO CC[C@@H](N)C(=O)N(C)C[C@@H]1CCC[N@H+]1CC ZINC000086188856 358442954 /nfs/dbraw/zinc/44/29/54/358442954.db2.gz NULDYXIVCWEVIW-WDEREUQCSA-N 1 3 227.352 0.666 10 0 BCAEHO C[C@H](NC[C@@H]1COCCN1C)[C@@H]1CCC[NH2+]C1 ZINC000629532869 361156296 /nfs/dbraw/zinc/15/62/96/361156296.db2.gz WZLBWPFBRBFUGY-YNEHKIRRSA-N 1 3 241.379 0.295 10 0 BCAEHO CO[C@@H]1CN(C[C@H]2CCOC2)[C@@](C)(C[NH3+])C1 ZINC000630357859 364079373 /nfs/dbraw/zinc/07/93/73/364079373.db2.gz GAXFCQASWOPMKY-GRYCIOLGSA-N 1 3 228.336 0.461 10 0 BCAEHO CO[C@@H]1CN(C[C@@H]2CCOC2)[C@](C)(C[NH3+])C1 ZINC000630357862 364079814 /nfs/dbraw/zinc/07/98/14/364079814.db2.gz GAXFCQASWOPMKY-SRVKXCTJSA-N 1 3 228.336 0.461 10 0 BCAEHO NCC1(C[N@@H+]2CC[C@@H](O)C2)CCCCC1 ZINC000061711830 181358523 /nfs/dbraw/zinc/35/85/23/181358523.db2.gz YFDQFUUKZJFNLW-LLVKDONJSA-N 1 3 212.337 0.962 10 0 BCAEHO NCC1(C[N@H+]2CC[C@@H](O)C2)CCCCC1 ZINC000061711830 181358526 /nfs/dbraw/zinc/35/85/26/181358526.db2.gz YFDQFUUKZJFNLW-LLVKDONJSA-N 1 3 212.337 0.962 10 0 BCAEHO NCC1(C[N@@H+]2CCC[C@H]2CO)CCOCC1 ZINC000052183341 181358565 /nfs/dbraw/zinc/35/85/65/181358565.db2.gz BTLMRVVSIRKHOV-NSHDSACASA-N 1 3 228.336 0.199 10 0 BCAEHO NCC1(C[N@H+]2CCC[C@H]2CO)CCOCC1 ZINC000052183341 181358567 /nfs/dbraw/zinc/35/85/67/181358567.db2.gz BTLMRVVSIRKHOV-NSHDSACASA-N 1 3 228.336 0.199 10 0 BCAEHO [NH3+]CC1(CN2CCC[C@H](O)C2)CCOCC1 ZINC000052197507 181359514 /nfs/dbraw/zinc/35/95/14/181359514.db2.gz FBZYKTNEMJSOET-NSHDSACASA-N 1 3 228.336 0.199 10 0 BCAEHO NCC1(C[N@@H+]2CCC[C@H](O)C2)CCOCC1 ZINC000052197507 181359515 /nfs/dbraw/zinc/35/95/15/181359515.db2.gz FBZYKTNEMJSOET-NSHDSACASA-N 1 3 228.336 0.199 10 0 BCAEHO NCC1(C[N@H+]2CCC[C@H](O)C2)CCOCC1 ZINC000052197507 181359517 /nfs/dbraw/zinc/35/95/17/181359517.db2.gz FBZYKTNEMJSOET-NSHDSACASA-N 1 3 228.336 0.199 10 0 BCAEHO N[C@@H](CCCC[NH3+])C(=O)N1CCCCC1 ZINC000013529427 181378941 /nfs/dbraw/zinc/37/89/41/181378941.db2.gz MDGXMHHGFICIAS-JTQLQIEISA-N 1 3 213.325 0.455 10 0 BCAEHO [NH3+]CCCN1CCCN(C[C@@H]2CCCO2)CC1 ZINC000037038097 181380939 /nfs/dbraw/zinc/38/09/39/181380939.db2.gz GZICKUSPRMZDTE-ZDUSSCGKSA-N 1 3 241.379 0.522 10 0 BCAEHO NCCC[NH2+]C1CCN(CC(F)(F)F)CC1 ZINC000037713843 181381977 /nfs/dbraw/zinc/38/19/77/181381977.db2.gz CHPRBVIUXYAJHQ-UHFFFAOYSA-N 1 3 239.285 0.952 10 0 BCAEHO [NH3+]CCCNC[C@@H]1COc2ccccc2O1 ZINC000039170072 181383863 /nfs/dbraw/zinc/38/38/63/181383863.db2.gz KGRXRCFWLTYCBO-SNVBAGLBSA-N 1 3 222.288 0.765 10 0 BCAEHO [NH3+][C@H]1C[C@@H](C(=O)N2CCN3CCC[C@@H]3C2)C1 ZINC000574758973 365136262 /nfs/dbraw/zinc/13/62/62/365136262.db2.gz FTWOWQKZICZVIG-OUAUKWLOSA-N 1 3 223.320 0.030 10 0 BCAEHO N[C@H]1C[C@H]([NH+]2CCCC2)C12CCOCC2 ZINC000675080590 541468108 /nfs/dbraw/zinc/46/81/08/541468108.db2.gz SQEJKWVRDACXOE-QWRGUYRKSA-N 1 3 210.321 0.979 10 0 BCAEHO CO[C@H](C)CN[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000580946575 367213155 /nfs/dbraw/zinc/21/31/55/367213155.db2.gz QDZBCHBVKJRBAG-MXWKQRLJSA-N 1 3 200.326 0.999 10 0 BCAEHO CC[N@H+](C)C[C@@H](O)CN1CCC[C@@H]1CCCO ZINC000383569385 367641098 /nfs/dbraw/zinc/64/10/98/367641098.db2.gz JTPVAIXGQUAZNP-CHWSQXEVSA-N 1 3 244.379 0.536 10 0 BCAEHO CC[N@@H+](C)C[C@@H](O)CN1CCC[C@@H]1CCCO ZINC000383569385 367641102 /nfs/dbraw/zinc/64/11/02/367641102.db2.gz JTPVAIXGQUAZNP-CHWSQXEVSA-N 1 3 244.379 0.536 10 0 BCAEHO CN(C)[C@@H]1CCN(C(=O)[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000085012984 368862117 /nfs/dbraw/zinc/86/21/17/368862117.db2.gz DMIYIAFHIBHNQV-OUAUKWLOSA-N 1 3 225.336 0.276 10 0 BCAEHO C[C@@H]1C[NH2+]C[C@H]1C(=O)NC[C@@H]1CCCN(C)C1 ZINC000111272059 368853786 /nfs/dbraw/zinc/85/37/86/368853786.db2.gz IIOFOQJYNZOMLM-GRYCIOLGSA-N 1 3 239.363 0.300 10 0 BCAEHO C[C@H]1CN(CCCc2cncn2C)C[C@H]1C[NH3+] ZINC000631836997 369091556 /nfs/dbraw/zinc/09/15/56/369091556.db2.gz LINQNLLGQDHIJF-NWDGAFQWSA-N 1 3 236.363 0.879 10 0 BCAEHO C[C@H]1C[N@H+](CCCc2cncn2C)C[C@H]1CN ZINC000631836997 369091560 /nfs/dbraw/zinc/09/15/60/369091560.db2.gz LINQNLLGQDHIJF-NWDGAFQWSA-N 1 3 236.363 0.879 10 0 BCAEHO C[C@H]1C[N@@H+](CCCc2cncn2C)C[C@H]1CN ZINC000631836997 369091564 /nfs/dbraw/zinc/09/15/64/369091564.db2.gz LINQNLLGQDHIJF-NWDGAFQWSA-N 1 3 236.363 0.879 10 0 BCAEHO COCCOCCN1C[C@H](C)[C@H](C[NH3+])C1 ZINC000631838747 369121908 /nfs/dbraw/zinc/12/19/08/369121908.db2.gz UNSOWAVXWYRZMZ-WDEREUQCSA-N 1 3 216.325 0.176 10 0 BCAEHO COCCOCCN1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000631838746 369122762 /nfs/dbraw/zinc/12/27/62/369122762.db2.gz UNSOWAVXWYRZMZ-QWRGUYRKSA-N 1 3 216.325 0.176 10 0 BCAEHO C[NH2+][C@]1(CC(N)=O)CCN2CCCC[C@H]21 ZINC000228275230 372010537 /nfs/dbraw/zinc/01/05/37/372010537.db2.gz YLXQMVJYASFSSG-ONGXEEELSA-N 1 3 211.309 0.078 10 0 BCAEHO COCC[C@H](C)[N@@H+]1C[C@@H](C)[C@@H](CN)C1 ZINC000631839222 372633394 /nfs/dbraw/zinc/63/33/94/372633394.db2.gz BZTCCDBVFMCMRV-VWYCJHECSA-N 1 3 200.326 0.938 10 0 BCAEHO COCC[C@H](C)[N@H+]1C[C@@H](C)[C@@H](CN)C1 ZINC000631839222 372633402 /nfs/dbraw/zinc/63/34/02/372633402.db2.gz BZTCCDBVFMCMRV-VWYCJHECSA-N 1 3 200.326 0.938 10 0 BCAEHO C[C@@H]1CN(Cc2ccc(C(N)=O)cc2)C[C@@H]1C[NH3+] ZINC000631840841 372638266 /nfs/dbraw/zinc/63/82/66/372638266.db2.gz FYWZKVBBVHYNOX-MFKMUULPSA-N 1 3 247.342 0.812 10 0 BCAEHO O=C(NCCN1CCCC1)[C@H]1CCC[NH2+]C1 ZINC000035663388 182184442 /nfs/dbraw/zinc/18/44/42/182184442.db2.gz PZBASLRULUTMNC-NSHDSACASA-N 1 3 225.336 0.198 10 0 BCAEHO O=C(N[C@@H]1CCN(C2CC2)C1)[C@H]1CCC[NH2+]C1 ZINC000044726733 182302629 /nfs/dbraw/zinc/30/26/29/182302629.db2.gz LAFKLUBSYFAUAH-WDEREUQCSA-N 1 3 237.347 0.339 10 0 BCAEHO OCC[C@H]1CC[N@H+](C[C@@H]2CCCNC2)C1 ZINC000162335282 183099384 /nfs/dbraw/zinc/09/93/84/183099384.db2.gz KNYRZUGNPOQOBZ-VXGBXAGGSA-N 1 3 212.337 0.690 10 0 BCAEHO OCC[C@H]1CC[N@@H+](C[C@@H]2CCCNC2)C1 ZINC000162335282 183099386 /nfs/dbraw/zinc/09/93/86/183099386.db2.gz KNYRZUGNPOQOBZ-VXGBXAGGSA-N 1 3 212.337 0.690 10 0 BCAEHO OCC[C@H]1CCN(C[C@@H]2CCC[NH2+]C2)C1 ZINC000162335282 183099387 /nfs/dbraw/zinc/09/93/87/183099387.db2.gz KNYRZUGNPOQOBZ-VXGBXAGGSA-N 1 3 212.337 0.690 10 0 BCAEHO O[C@H]1CNCC[C@@H]1[NH2+]Cc1ccccc1 ZINC000034122513 183245340 /nfs/dbraw/zinc/24/53/40/183245340.db2.gz AHEIGAOSXRVHSH-RYUDHWBXSA-N 1 3 206.289 0.499 10 0 BCAEHO CCCN1CCC([NH2+][C@H](C)C(=O)NC)CC1 ZINC000042220971 169189540 /nfs/dbraw/zinc/18/95/40/169189540.db2.gz LQJVYDFHWNPIEA-SNVBAGLBSA-N 1 3 227.352 0.585 10 0 BCAEHO CCCN1CCN([C@H](C)C[NH2+]CCOC)CC1 ZINC000053487497 169202357 /nfs/dbraw/zinc/20/23/57/169202357.db2.gz VVRUJYHHXRXQMN-CYBMUJFWSA-N 1 3 243.395 0.639 10 0 BCAEHO CCCNCC[NH2+]CCCN1CCOCC1 ZINC000049474794 169259012 /nfs/dbraw/zinc/25/90/12/169259012.db2.gz APWNJSGFISVSDB-UHFFFAOYSA-N 1 3 229.368 0.298 10 0 BCAEHO c1ccc(CCNC2CC[NH2+]CC2)nc1 ZINC000038040562 183394023 /nfs/dbraw/zinc/39/40/23/183394023.db2.gz UFHIYUVSPKBFMI-UHFFFAOYSA-N 1 3 205.305 0.966 10 0 BCAEHO c1ccc(CC[NH2+]C2CCNCC2)nc1 ZINC000038040562 183394025 /nfs/dbraw/zinc/39/40/25/183394025.db2.gz UFHIYUVSPKBFMI-UHFFFAOYSA-N 1 3 205.305 0.966 10 0 BCAEHO CCC[C@@H](C)N(C)CC(=O)N1CCC[NH2+]CC1 ZINC000042354603 169364176 /nfs/dbraw/zinc/36/41/76/169364176.db2.gz DPPDFHWFYUMTOO-GFCCVEGCSA-N 1 3 241.379 0.929 10 0 BCAEHO CCC[C@@H](N)C(=O)NC[C@H]1CCC[N@@H+]1CC ZINC000036872931 169388905 /nfs/dbraw/zinc/38/89/05/169388905.db2.gz XNOLNNSSXDBVBD-GHMZBOCLSA-N 1 3 227.352 0.714 10 0 BCAEHO CCC[C@@H](N)C(=O)NC[C@H]1CCC[N@H+]1CC ZINC000036872931 169388906 /nfs/dbraw/zinc/38/89/06/169388906.db2.gz XNOLNNSSXDBVBD-GHMZBOCLSA-N 1 3 227.352 0.714 10 0 BCAEHO CCC[C@@H](N)C(=O)NC[C@H]1CC[N@H+](C)C1 ZINC000037484919 169390740 /nfs/dbraw/zinc/39/07/40/169390740.db2.gz HGNHTVFUUXBXAE-NXEZZACHSA-N 1 3 213.325 0.182 10 0 BCAEHO CCC[C@@H](N)C(=O)NC[C@H]1CC[N@@H+](C)C1 ZINC000037484919 169390741 /nfs/dbraw/zinc/39/07/41/169390741.db2.gz HGNHTVFUUXBXAE-NXEZZACHSA-N 1 3 213.325 0.182 10 0 BCAEHO NC[C@]1([NH3+])CCCN(Cc2ccccc2)C1 ZINC000035676927 384088828 /nfs/dbraw/zinc/08/88/28/384088828.db2.gz XEVKWMMONSJVOW-CYBMUJFWSA-N 1 3 219.332 0.939 10 0 BCAEHO N[C@@]1(C[NH3+])CCCN(Cc2ccccc2)C1 ZINC000035676927 384088832 /nfs/dbraw/zinc/08/88/32/384088832.db2.gz XEVKWMMONSJVOW-CYBMUJFWSA-N 1 3 219.332 0.939 10 0 BCAEHO C[C@H](O)CC[NH2+][C@@H]1CCCC[C@@H]1CN ZINC000084217062 384377901 /nfs/dbraw/zinc/37/79/01/384377901.db2.gz MRFLDEWKKQTHPS-HBNTYKKESA-N 1 3 200.326 0.864 10 0 BCAEHO CC(C)C[C@H](C[NH+](C)C)NC(=O)CN ZINC000037001251 384466155 /nfs/dbraw/zinc/46/61/55/384466155.db2.gz NUSHIDWHSCTYHB-SECBINFHSA-N 1 3 201.314 0.038 10 0 BCAEHO CC[C@@H](N)C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000037812642 384535348 /nfs/dbraw/zinc/53/53/48/384535348.db2.gz CNKRAZMOGFPGIB-NXEZZACHSA-N 1 3 211.309 0.030 10 0 BCAEHO CC[C@@H](N)C(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000037812642 384535355 /nfs/dbraw/zinc/53/53/55/384535355.db2.gz CNKRAZMOGFPGIB-NXEZZACHSA-N 1 3 211.309 0.030 10 0 BCAEHO C[C@@H](N)C(=O)N1CC[C@]2(CC[C@@H](C[NH3+])C2)C1 ZINC000100248048 384628561 /nfs/dbraw/zinc/62/85/61/384628561.db2.gz MCYBNYMFFOUDAZ-FOGDFJRCSA-N 1 3 225.336 0.311 10 0 BCAEHO CCC[C@H](N)C(=O)NCC[N@H+](C)CCCOC ZINC000236854785 384656380 /nfs/dbraw/zinc/65/63/80/384656380.db2.gz FVSVUTGGDDKPNI-NSHDSACASA-N 1 3 245.367 0.198 10 0 BCAEHO CCC[C@H](N)C(=O)NCC[N@@H+](C)CCCOC ZINC000236854785 384656382 /nfs/dbraw/zinc/65/63/82/384656382.db2.gz FVSVUTGGDDKPNI-NSHDSACASA-N 1 3 245.367 0.198 10 0 BCAEHO N[C@H](CC(F)F)C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000335919105 384706631 /nfs/dbraw/zinc/70/66/31/384706631.db2.gz HJXJOSAXJQFDLF-DTWKUNHWSA-N 1 3 247.289 0.276 10 0 BCAEHO N[C@H](CC(F)F)C(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000335919105 384706640 /nfs/dbraw/zinc/70/66/40/384706640.db2.gz HJXJOSAXJQFDLF-DTWKUNHWSA-N 1 3 247.289 0.276 10 0 BCAEHO CC(C)([NH3+])CN1CCN2CCCC[C@@H]2C1 ZINC000086930151 384720952 /nfs/dbraw/zinc/72/09/52/384720952.db2.gz QTCWJRPGTWDMHA-LLVKDONJSA-N 1 3 211.353 0.894 10 0 BCAEHO COC(=O)CCN1C[C@H](C[NH3+])C[C@@H]1C ZINC000126917167 384827852 /nfs/dbraw/zinc/82/78/52/384827852.db2.gz MKLMWHYCKQSZJE-IUCAKERBSA-N 1 3 200.282 0.219 10 0 BCAEHO CN1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]C2)C1 ZINC000162119351 384798260 /nfs/dbraw/zinc/79/82/60/384798260.db2.gz UXEMOPCRHTUVJA-RYUDHWBXSA-N 1 3 239.363 0.444 10 0 BCAEHO N[C@@H](CN1CC[NH2+]CC1)c1ccccc1 ZINC000059732120 385054265 /nfs/dbraw/zinc/05/42/65/385054265.db2.gz OTRKXADANITCHG-LBPRGKRZSA-N 1 3 205.305 0.592 10 0 BCAEHO NC[C@@H]1CN(Cc2ccccc2)CC[NH2+]1 ZINC000259351011 385304762 /nfs/dbraw/zinc/30/47/62/385304762.db2.gz SZXCNYQQYPARBF-GFCCVEGCSA-N 1 3 205.305 0.419 10 0 BCAEHO CN(C)[C@@H]1CCN(C(=O)C[C@@H]2CCC[NH2+]C2)C1 ZINC000062972387 385779204 /nfs/dbraw/zinc/77/92/04/385779204.db2.gz FKUCWYAIPALOHO-NWDGAFQWSA-N 1 3 239.363 0.539 10 0 BCAEHO Cn1nccc1CCN1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000310403585 386179071 /nfs/dbraw/zinc/17/90/71/386179071.db2.gz LELRWTNDILWMMS-UHTWSYAYSA-N 1 3 234.347 0.632 10 0 BCAEHO CC[C@@H]([NH3+])C(=O)N[C@H]1CCCN(CC)C1 ZINC000040503638 386211110 /nfs/dbraw/zinc/21/11/10/386211110.db2.gz JFXCAGRZGXVKIM-VHSXEESVSA-N 1 3 213.325 0.324 10 0 BCAEHO [NH3+][C@@H]1CC[C@@H](C(=O)NCCN2CCCCC2)C1 ZINC000091546021 386300836 /nfs/dbraw/zinc/30/08/36/386300836.db2.gz KIXRQVAFBXJEPT-VXGBXAGGSA-N 1 3 239.363 0.716 10 0 BCAEHO CC(C)[C@@](C)(CO)N1CCC[NH2+]CC1 ZINC000052883989 386277633 /nfs/dbraw/zinc/27/76/33/386277633.db2.gz KNQUPTJIOIFCGI-LLVKDONJSA-N 1 3 200.326 0.689 10 0 BCAEHO CN(C)C[C@@H]1CCCN1C(=O)[C@H]1CCC[NH2+]C1 ZINC000061645020 386476920 /nfs/dbraw/zinc/47/69/20/386476920.db2.gz CLKRLHOOUJPSSF-RYUDHWBXSA-N 1 3 239.363 0.539 10 0 BCAEHO CC(C)[C@@H](N)C(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000094459744 386454031 /nfs/dbraw/zinc/45/40/31/386454031.db2.gz BNWBCLOOZVWAIW-QJPTWQEYSA-N 1 3 239.363 0.665 10 0 BCAEHO CC(C)[C@@H](N)C(=O)N1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC000094459744 386454034 /nfs/dbraw/zinc/45/40/34/386454034.db2.gz BNWBCLOOZVWAIW-QJPTWQEYSA-N 1 3 239.363 0.665 10 0 BCAEHO CC[C@H](C)[C@@H](N)C(=O)NCC1=CC[NH2+]CC1 ZINC000186341943 386720808 /nfs/dbraw/zinc/72/08/08/386720808.db2.gz QIZAFWQDGNZVQH-GXSJLCMTSA-N 1 3 225.336 0.396 10 0 BCAEHO CC(C)[C@@H](N)C(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000251558345 387203347 /nfs/dbraw/zinc/20/33/47/387203347.db2.gz BNWBCLOOZVWAIW-GRYCIOLGSA-N 1 3 239.363 0.665 10 0 BCAEHO CC(C)[C@@H](N)C(=O)N1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC000251558345 387203352 /nfs/dbraw/zinc/20/33/52/387203352.db2.gz BNWBCLOOZVWAIW-GRYCIOLGSA-N 1 3 239.363 0.665 10 0 BCAEHO CC[C@@H](C(=O)N1CC[C@@H]([NH+](C)C)C1)N(C)C ZINC000162599960 387446590 /nfs/dbraw/zinc/44/65/90/387446590.db2.gz ZFYCNLHOUFHZCT-MNOVXSKESA-N 1 3 227.352 0.489 10 0 BCAEHO C[C@@H](CN[C@@H](C)[C@@H]1CCC[NH2+]C1)N(C)C ZINC000643454663 387386043 /nfs/dbraw/zinc/38/60/43/387386043.db2.gz LRHUIKTZOINDRN-SDDRHHMPSA-N 1 3 213.369 0.914 10 0 BCAEHO CN(C)[C@H]1CCN(C(=O)[C@@]2(C)CCCC[NH2+]2)C1 ZINC000133443306 387800320 /nfs/dbraw/zinc/80/03/20/387800320.db2.gz RDJSHVBUEXULPC-WCQYABFASA-N 1 3 239.363 0.681 10 0 BCAEHO CN(C)[C@H]1CCCN(C(=O)[C@H]2CCC[NH2+]C2)C1 ZINC000082280863 388022123 /nfs/dbraw/zinc/02/21/23/388022123.db2.gz GCTFHCBPRPABMH-RYUDHWBXSA-N 1 3 239.363 0.539 10 0 BCAEHO CC(C)(C)CCNC[C@@H]1C[NH2+]C[C@H]1O ZINC000261527861 135152728 /nfs/dbraw/zinc/15/27/28/135152728.db2.gz AKMXCUFRJCQQBO-NXEZZACHSA-N 1 3 200.326 0.593 10 0 BCAEHO CN(C)CCOCC[NH2+][C@@H]1CCCC[C@H]1O ZINC000234263163 388353963 /nfs/dbraw/zinc/35/39/63/388353963.db2.gz HMSLPAWIUFZCHK-VXGBXAGGSA-N 1 3 230.352 0.458 10 0 BCAEHO O=C(C[C@@H]1CC[NH2+]C1)N1CCN2CCC1CC2 ZINC000646449880 388360235 /nfs/dbraw/zinc/36/02/35/388360235.db2.gz CLLHVEHTUOUKTP-NSHDSACASA-N 1 3 237.347 0.293 10 0 BCAEHO CC[NH+](CC)[C@H](C)CNC(=O)[C@@H](C)N ZINC000236866883 388384903 /nfs/dbraw/zinc/38/49/03/388384903.db2.gz FNNRBJYUSDLYHA-RKDXNWHRSA-N 1 3 201.314 0.180 10 0 BCAEHO [NH3+]C1CCC(NC(=O)[C@H]2C[C@H](F)CN2)CC1 ZINC000646664672 388406772 /nfs/dbraw/zinc/40/67/72/388406772.db2.gz JGVVVIKHZKKHFW-AUXWQGHOSA-N 1 3 229.299 0.073 10 0 BCAEHO CC(C)(CCO)[NH2+]C[C@@H]1CCCNC1 ZINC000220389369 388605118 /nfs/dbraw/zinc/60/51/18/388605118.db2.gz NZQVYUZIKRBNDK-SNVBAGLBSA-N 1 3 200.326 0.737 10 0 BCAEHO CC(C)(CCO)NC[C@@H]1CCC[NH2+]C1 ZINC000220389369 388605120 /nfs/dbraw/zinc/60/51/20/388605120.db2.gz NZQVYUZIKRBNDK-SNVBAGLBSA-N 1 3 200.326 0.737 10 0 BCAEHO NC[C@H]1CCCC[C@H]1[NH2+]CCn1cncn1 ZINC000362975979 388563375 /nfs/dbraw/zinc/56/33/75/388563375.db2.gz IGJKCYPZKLHJLN-GHMZBOCLSA-N 1 3 223.324 0.385 10 0 BCAEHO [NH3+]C[C@H]1CCCC[C@H]1NCCn1cncn1 ZINC000362975979 388563377 /nfs/dbraw/zinc/56/33/77/388563377.db2.gz IGJKCYPZKLHJLN-GHMZBOCLSA-N 1 3 223.324 0.385 10 0 BCAEHO C[C@@H](NCCN1CCSCC1)[C@@H]1CC[NH2+]C1 ZINC000400344087 533395344 /nfs/dbraw/zinc/39/53/44/533395344.db2.gz IHTBPYCJCAHZNR-VXGBXAGGSA-N 1 3 243.420 0.623 10 0 BCAEHO [NH3+]CCCCN1CCN(c2ccccn2)CC1 ZINC000011953285 132320987 /nfs/dbraw/zinc/32/09/87/132320987.db2.gz ZGEFEENRCWUOIC-UHFFFAOYSA-N 1 3 234.347 0.943 10 0 BCAEHO CCN1CCN(c2ccnc(C[NH3+])c2)CC1 ZINC000051396482 132360170 /nfs/dbraw/zinc/36/01/70/132360170.db2.gz OQQLFJPLYPBWCV-UHFFFAOYSA-N 1 3 220.320 0.682 10 0 BCAEHO [NH3+]CCNC(=O)[C@@H]1CCCN(c2ccncc2)C1 ZINC000063180623 132388949 /nfs/dbraw/zinc/38/89/49/132388949.db2.gz CGUQGKJPQDBMNS-LLVKDONJSA-N 1 3 248.330 0.373 10 0 BCAEHO [NH3+]CCNC(=O)[C@H]1CCCN(c2ccncc2)C1 ZINC000063180620 132389835 /nfs/dbraw/zinc/38/98/35/132389835.db2.gz CGUQGKJPQDBMNS-NSHDSACASA-N 1 3 248.330 0.373 10 0 BCAEHO CN1CCO[C@H](CN[C@H]2CCCC[C@H]2C[NH3+])C1 ZINC000252550686 135091780 /nfs/dbraw/zinc/09/17/80/135091780.db2.gz OXQHSYGMPZISFM-XQQFMLRXSA-N 1 3 241.379 0.424 10 0 BCAEHO CN1CCO[C@H](C[NH2+][C@H]2CCCC[C@H]2CN)C1 ZINC000252550686 135091782 /nfs/dbraw/zinc/09/17/82/135091782.db2.gz OXQHSYGMPZISFM-XQQFMLRXSA-N 1 3 241.379 0.424 10 0 BCAEHO CCN(C)CCNC(=O)[C@H]1CCC[NH2+][C@@H]1C ZINC000087122840 135106879 /nfs/dbraw/zinc/10/68/79/135106879.db2.gz OKPHKCMGMURQFE-MNOVXSKESA-N 1 3 227.352 0.442 10 0 BCAEHO COC(=O)CCN1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000253183478 135122834 /nfs/dbraw/zinc/12/28/34/135122834.db2.gz GNXUJJRGRMOLOV-VHSXEESVSA-N 1 3 214.309 0.466 10 0 BCAEHO Cc1nccn1C[C@@H]1CCC[N@@H+]1CCN ZINC000261534046 135165466 /nfs/dbraw/zinc/16/54/66/135165466.db2.gz LPVBIQNMUXZGCC-NSHDSACASA-N 1 3 208.309 0.615 10 0 BCAEHO Cc1nccn1C[C@@H]1CCC[N@H+]1CCN ZINC000261534046 135165467 /nfs/dbraw/zinc/16/54/67/135165467.db2.gz LPVBIQNMUXZGCC-NSHDSACASA-N 1 3 208.309 0.615 10 0 BCAEHO COC(=O)CCN1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000261537993 135175524 /nfs/dbraw/zinc/17/55/24/135175524.db2.gz WZWMVDJHMPTEFK-LPEHRKFASA-N 1 3 212.293 0.219 10 0 BCAEHO OC[C@H]1C[C@@H](F)CN1CC1CC[NH2+]CC1 ZINC000261542061 135182587 /nfs/dbraw/zinc/18/25/87/135182587.db2.gz GLUUTHWRLKSJGJ-GHMZBOCLSA-N 1 3 216.300 0.391 10 0 BCAEHO C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)CN ZINC000261548385 135186515 /nfs/dbraw/zinc/18/65/15/135186515.db2.gz NQNJDSUMBBERQI-NSHDSACASA-N 1 3 235.331 0.582 10 0 BCAEHO C[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)CN ZINC000261548385 135186516 /nfs/dbraw/zinc/18/65/16/135186516.db2.gz NQNJDSUMBBERQI-NSHDSACASA-N 1 3 235.331 0.582 10 0 BCAEHO CC1(C)CCC[C@@H]1NC[C@H]1C[NH2+]C[C@@H]1O ZINC000261552876 135192267 /nfs/dbraw/zinc/19/22/67/135192267.db2.gz RZGBGTPGCKRTPB-VWYCJHECSA-N 1 3 212.337 0.735 10 0 BCAEHO CC1(C)CCC[C@@H]1[NH2+]C[C@H]1CNC[C@@H]1O ZINC000261552876 135192269 /nfs/dbraw/zinc/19/22/69/135192269.db2.gz RZGBGTPGCKRTPB-VWYCJHECSA-N 1 3 212.337 0.735 10 0 BCAEHO CCN(CC)CC(=O)NC[C@H](C)[NH2+]C ZINC000261557274 135197830 /nfs/dbraw/zinc/19/78/30/135197830.db2.gz XDOQIPKFTQXRAD-VIFPVBQESA-N 1 3 201.314 0.052 10 0 BCAEHO CCN(C)CCNC(=O)CC[C@@H]1CCC[NH2+]1 ZINC000261576347 135217284 /nfs/dbraw/zinc/21/72/84/135217284.db2.gz KHMNXCFMBXGGMZ-NSHDSACASA-N 1 3 227.352 0.587 10 0 BCAEHO O=C1C[C@]2(CCN(C[C@@H]3CCC[NH2+]C3)C2)CN1 ZINC000261758798 135250525 /nfs/dbraw/zinc/25/05/25/135250525.db2.gz CSQPXQXQOZWOPW-DGCLKSJQSA-N 1 3 237.347 0.198 10 0 BCAEHO O=C1C[C@]2(CC[N@H+](C[C@@H]3CCCNC3)C2)CN1 ZINC000261758798 135250527 /nfs/dbraw/zinc/25/05/27/135250527.db2.gz CSQPXQXQOZWOPW-DGCLKSJQSA-N 1 3 237.347 0.198 10 0 BCAEHO O=C1C[C@]2(CC[N@@H+](C[C@@H]3CCCNC3)C2)CN1 ZINC000261758798 135250529 /nfs/dbraw/zinc/25/05/29/135250529.db2.gz CSQPXQXQOZWOPW-DGCLKSJQSA-N 1 3 237.347 0.198 10 0 BCAEHO CCCN1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]C ZINC000261766350 135251555 /nfs/dbraw/zinc/25/15/55/135251555.db2.gz OVMHZTOHPUXGLB-MNOVXSKESA-N 1 3 227.352 0.585 10 0 BCAEHO C[C@@]1(CN2CCC[C@@H](c3nc[nH]n3)C2)CC[NH2+]C1 ZINC000261914102 135262697 /nfs/dbraw/zinc/26/26/97/135262697.db2.gz YXHIUOVTUPRXHI-DGCLKSJQSA-N 1 3 249.362 0.984 10 0 BCAEHO N[C@@H](CNC(=O)C1C[NH2+]C1)c1ccccc1 ZINC000262230204 135285882 /nfs/dbraw/zinc/28/58/82/135285882.db2.gz MCVLJHUBERNBEL-NSHDSACASA-N 1 3 219.288 0.022 10 0 BCAEHO NC1(C(=O)N[C@@H]2CCC[C@H]2C[NH3+])CCCC1 ZINC000262438434 135299330 /nfs/dbraw/zinc/29/93/30/135299330.db2.gz MRRRFSCJNFSYSS-VHSXEESVSA-N 1 3 225.336 0.502 10 0 BCAEHO NC1(C(=O)N[C@H]2CCC[C@H]2C[NH3+])CCCC1 ZINC000262438433 135299462 /nfs/dbraw/zinc/29/94/62/135299462.db2.gz MRRRFSCJNFSYSS-UWVGGRQHSA-N 1 3 225.336 0.502 10 0 BCAEHO CCC[C@H](N)C(=O)N1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000262454269 135300447 /nfs/dbraw/zinc/30/04/47/135300447.db2.gz SOQRHZFGSBTSAK-DCAQKATOSA-N 1 3 227.352 0.700 10 0 BCAEHO CCC1(CNC[C@H]2C[NH2+]C[C@@H]2O)CCOCC1 ZINC000263151977 135335497 /nfs/dbraw/zinc/33/54/97/135335497.db2.gz DDNIGIFGLHWMGH-NEPJUHHUSA-N 1 3 242.363 0.363 10 0 BCAEHO CCC1(C[NH2+]C[C@H]2CNC[C@@H]2O)CCOCC1 ZINC000263151977 135335498 /nfs/dbraw/zinc/33/54/98/135335498.db2.gz DDNIGIFGLHWMGH-NEPJUHHUSA-N 1 3 242.363 0.363 10 0 BCAEHO C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CNC[C@H]2O)[C@@H](C)C1 ZINC000263197155 135338483 /nfs/dbraw/zinc/33/84/83/135338483.db2.gz IPCKRBYZGJCCMY-QNWJLWSRSA-N 1 3 226.364 0.981 10 0 BCAEHO C[C@H]1C[C@H]([NH2+]C[C@@H]2CNC[C@@H]2O)C[C@@H](C)C1 ZINC000263216370 135340006 /nfs/dbraw/zinc/34/00/06/135340006.db2.gz KZDYMRZWFSKAJE-OFTGVCEQSA-N 1 3 226.364 0.981 10 0 BCAEHO C[C@H]1C[C@H](NC[C@@H]2C[NH2+]C[C@@H]2O)C[C@@H](C)C1 ZINC000263216370 135340008 /nfs/dbraw/zinc/34/00/08/135340008.db2.gz KZDYMRZWFSKAJE-OFTGVCEQSA-N 1 3 226.364 0.981 10 0 BCAEHO C[C@H](CNC[C@@H]1C[NH2+]C[C@H]1O)c1ccccc1 ZINC000263215028 135340214 /nfs/dbraw/zinc/34/02/14/135340214.db2.gz KTUYKMSAGPXNAY-MRVWCRGKSA-N 1 3 234.343 0.960 10 0 BCAEHO C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)C1C[NH2+]C1 ZINC000263236823 135341938 /nfs/dbraw/zinc/34/19/38/135341938.db2.gz BSTOAUPPVGYIAG-KOLCDFICSA-N 1 3 225.336 0.004 10 0 BCAEHO CN(CCNC(=O)C1C[NH2+]C1)Cc1ccccc1 ZINC000263274134 135343388 /nfs/dbraw/zinc/34/33/88/135343388.db2.gz IPZYGDMBDKSMDI-UHFFFAOYSA-N 1 3 247.342 0.454 10 0 BCAEHO CC(C)N1CCCC[C@H]1C(=O)N1CC[C@@H]([NH3+])C1 ZINC000335388058 136089614 /nfs/dbraw/zinc/08/96/14/136089614.db2.gz BFHSYECAPLNCEQ-NEPJUHHUSA-N 1 3 239.363 0.809 10 0 BCAEHO CC(C)(C)[C@H](N)C(=O)NC[C@H]1CC[NH2+]C1 ZINC000381560904 397753838 /nfs/dbraw/zinc/75/38/38/397753838.db2.gz QIDRKWMGCWWHCQ-DTWKUNHWSA-N 1 3 213.325 0.086 10 0 BCAEHO CC(C)NC(=O)C[NH2+][C@H](C)[C@H]1CCCN(C)C1 ZINC000036781498 167060346 /nfs/dbraw/zinc/06/03/46/167060346.db2.gz BJJFANGMLXAJSD-NEPJUHHUSA-N 1 3 241.379 0.831 10 0 BCAEHO CC(C)[NH2+]C[C@@H](O)CN1CCN(C)C(C)(C)C1 ZINC000104124442 167112071 /nfs/dbraw/zinc/11/20/71/167112071.db2.gz ODMHMZCLAFXMMI-GFCCVEGCSA-N 1 3 243.395 0.371 10 0 BCAEHO CN(C)[C@H]1CCN(C(=O)CC2([NH3+])CCC2)C1 ZINC000086853589 487567407 /nfs/dbraw/zinc/56/74/07/487567407.db2.gz QCSIMPSJIPERAS-JTQLQIEISA-N 1 3 225.336 0.420 10 0 BCAEHO COC[C@@H](CN(C)[C@H]1CCC[NH2+]CC1)OC ZINC000662267611 409568740 /nfs/dbraw/zinc/56/87/40/409568740.db2.gz WEPRMGCSBWYIHA-NWDGAFQWSA-N 1 3 230.352 0.722 10 0 BCAEHO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)[C@H](C)N)C1 ZINC000245881196 167033533 /nfs/dbraw/zinc/03/35/33/167033533.db2.gz BEFMHXYZRJHHET-LPEHRKFASA-N 1 3 213.325 0.179 10 0 BCAEHO CC(C)[N@H+]1C[C@H](C)[C@H](NC(=O)[C@H](C)N)C1 ZINC000245881196 167033536 /nfs/dbraw/zinc/03/35/36/167033536.db2.gz BEFMHXYZRJHHET-LPEHRKFASA-N 1 3 213.325 0.179 10 0 BCAEHO CC(C)[NH2+][C@H](CCO)[C@H]1CCCNC1 ZINC000095088346 167138472 /nfs/dbraw/zinc/13/84/72/167138472.db2.gz SIIOWIUABZVWNY-WDEREUQCSA-N 1 3 200.326 0.735 10 0 BCAEHO CC(C)N[C@H](CCO)[C@H]1CCC[NH2+]C1 ZINC000095088346 167138473 /nfs/dbraw/zinc/13/84/73/167138473.db2.gz SIIOWIUABZVWNY-WDEREUQCSA-N 1 3 200.326 0.735 10 0 BCAEHO CC[C@H](C)[C@@H](N)C(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000044538886 411137115 /nfs/dbraw/zinc/13/71/15/411137115.db2.gz OPSVMRKQUWZLCQ-SDDRHHMPSA-N 1 3 241.379 0.818 10 0 BCAEHO CC[C@H](C)[C@@H](N)C(=O)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000044538886 411137116 /nfs/dbraw/zinc/13/71/16/411137116.db2.gz OPSVMRKQUWZLCQ-SDDRHHMPSA-N 1 3 241.379 0.818 10 0 BCAEHO CC(C)C[C@@H](N)C(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000044538902 411137147 /nfs/dbraw/zinc/13/71/47/411137147.db2.gz RWYFXNVGNQFAJG-VXGBXAGGSA-N 1 3 241.379 0.818 10 0 BCAEHO CC(C)C[C@@H](N)C(=O)NC[C@H]1CCC[N@@H+](C)C1 ZINC000044538902 411137148 /nfs/dbraw/zinc/13/71/48/411137148.db2.gz RWYFXNVGNQFAJG-VXGBXAGGSA-N 1 3 241.379 0.818 10 0 BCAEHO CC(C)[C@H]([NH3+])CC(=O)N[C@@H]1CCCN(C)C1 ZINC000128984911 411195379 /nfs/dbraw/zinc/19/53/79/411195379.db2.gz XOCJEJYRMVIMEB-GHMZBOCLSA-N 1 3 227.352 0.570 10 0 BCAEHO C[C@@H]([NH3+])CCC(=O)N1CC[C@H](N(C)C)C1 ZINC000069840302 411371356 /nfs/dbraw/zinc/37/13/56/411371356.db2.gz RGWYGUYFJZMVCV-ZJUUUORDSA-N 1 3 213.325 0.276 10 0 BCAEHO C[C@@H]([NH3+])CCC(=O)N1CC[C@@H](N(C)C)C1 ZINC000069840304 411371432 /nfs/dbraw/zinc/37/14/32/411371432.db2.gz RGWYGUYFJZMVCV-NXEZZACHSA-N 1 3 213.325 0.276 10 0 BCAEHO CC1CCC(OC[C@H](O)CNCCC[NH3+])CC1 ZINC000051356052 168168289 /nfs/dbraw/zinc/16/82/89/168168289.db2.gz HXUVRFQWZOTRJI-OTTFEQOBSA-N 1 3 244.379 0.881 10 0 BCAEHO CC1CCN([C@]2(C[NH3+])CCN(C)C2)CC1 ZINC000061989988 168187951 /nfs/dbraw/zinc/18/79/51/168187951.db2.gz LJWKIBQQCMUVMA-LBPRGKRZSA-N 1 3 211.353 0.751 10 0 BCAEHO CCC(C)(C)NCC1C(=O)[O+]=NN1C ZINC000083250909 168299385 /nfs/dbraw/zinc/29/93/85/168299385.db2.gz NBEYHPZGQWMGMY-UHFFFAOYSA-O 1 3 200.262 0.483 10 0 BCAEHO CC[NH2+]C[C@@H](C)C(=O)N[C@@H]1CCCN(CC)C1 ZINC000061266910 170119299 /nfs/dbraw/zinc/11/92/99/170119299.db2.gz ZYBCBYQHTLIKHG-VXGBXAGGSA-N 1 3 241.379 0.833 10 0 BCAEHO CC[NH2+]C[C@H](C)C(=O)N1CCC[C@@H]1CN(C)C ZINC000061645209 170122164 /nfs/dbraw/zinc/12/21/64/170122164.db2.gz YMDBNNBXAFEUFG-NWDGAFQWSA-N 1 3 241.379 0.785 10 0 BCAEHO CC[NH2+]C[C@H](O)CN(CCN(C)C)CC(C)C ZINC000042747085 170122255 /nfs/dbraw/zinc/12/22/55/170122255.db2.gz SOCWEODQGMZFBM-ZDUSSCGKSA-N 1 3 245.411 0.476 10 0 BCAEHO CC[NH2+][C@@H](C)CC(=O)N1CCCN(C)CC1 ZINC000061269284 170138899 /nfs/dbraw/zinc/13/88/99/170138899.db2.gz LIXBBDODSRNJJX-NSHDSACASA-N 1 3 227.352 0.539 10 0 BCAEHO CC[NH2+][C@@H](C)CC(=O)NC[C@@H]1CCCN(C)C1 ZINC000061274359 170139448 /nfs/dbraw/zinc/13/94/48/170139448.db2.gz APWXAVIZYXHQER-RYUDHWBXSA-N 1 3 241.379 0.833 10 0 BCAEHO CC[NH2+][C@@H](CCN1CCCCC1)C(N)=O ZINC000062441883 170145654 /nfs/dbraw/zinc/14/56/54/170145654.db2.gz GJHZRBCKZCRQDR-JTQLQIEISA-N 1 3 213.325 0.326 10 0 BCAEHO CC[NH2+][C@@H]1CCN([C@@H]2CCCN(CC)C2)C1=O ZINC000049649194 170153227 /nfs/dbraw/zinc/15/32/27/170153227.db2.gz JJPRQPAQEHAEGV-VXGBXAGGSA-N 1 3 239.363 0.681 10 0 BCAEHO CC[NH2+][C@H](C)CC(=O)N1CCCN(C)CC1 ZINC000061269285 170156992 /nfs/dbraw/zinc/15/69/92/170156992.db2.gz LIXBBDODSRNJJX-LLVKDONJSA-N 1 3 227.352 0.539 10 0 BCAEHO CC[NH2+][C@H]1CCN([C@H]2CCCN(CC)C2)C1=O ZINC000049649197 170167500 /nfs/dbraw/zinc/16/75/00/170167500.db2.gz JJPRQPAQEHAEGV-RYUDHWBXSA-N 1 3 239.363 0.681 10 0 BCAEHO CN(C[C@H]1CCCO1)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662248470 412046325 /nfs/dbraw/zinc/04/63/25/412046325.db2.gz CGQQAVDVMAKIRS-VXGBXAGGSA-N 1 3 240.347 0.618 10 0 BCAEHO CC[C@H](C)N1CCN([C@@]2(C[NH3+])CCOC2)CC1 ZINC000104073289 171319537 /nfs/dbraw/zinc/31/95/37/171319537.db2.gz CWVCFNJDQSNXNQ-QWHCGFSZSA-N 1 3 241.379 0.520 10 0 BCAEHO CC[C@H](C)[C@@H](CO)N1CCC[NH2+]CC1 ZINC000041050529 171370167 /nfs/dbraw/zinc/37/01/67/171370167.db2.gz XNFBRFYSJPUMIH-WDEREUQCSA-N 1 3 200.326 0.689 10 0 BCAEHO CC[C@H](C)[C@@H](N)C(=O)NC[C@@H](C1CC1)[NH+](C)C ZINC000237074322 171371220 /nfs/dbraw/zinc/37/12/20/171371220.db2.gz FMZPHROJMMDADC-ZMLRMANQSA-N 1 3 241.379 0.816 10 0 BCAEHO CC[C@H](C)[C@@H](N)C(=O)N[C@@H](C)C[NH+]1CCCC1 ZINC000049184791 171371708 /nfs/dbraw/zinc/37/17/08/171371708.db2.gz FKNDEHSOFQIAPD-SDDRHHMPSA-N 1 3 241.379 0.960 10 0 BCAEHO FC1(F)C[C@@H]1OCC[NH2+]C1CCNCC1 ZINC000665244276 412189580 /nfs/dbraw/zinc/18/95/80/412189580.db2.gz KFMFABBWJHYQIH-VIFPVBQESA-N 1 3 220.263 0.752 10 0 BCAEHO CCN1CCC[C@@H](NC(=O)[C@H]2C[C@H]([NH3+])C2)C1 ZINC000662692240 412273373 /nfs/dbraw/zinc/27/33/73/412273373.db2.gz CMCRPYCHMOTGMG-GMTAPVOTSA-N 1 3 225.336 0.324 10 0 BCAEHO CN(C)C(=O)CC[NH2+]C[C@@H]1CCN(C2CC2)C1 ZINC000037904466 172360555 /nfs/dbraw/zinc/36/05/55/172360555.db2.gz LJQJBFQYSDJLDG-NSHDSACASA-N 1 3 239.363 0.539 10 0 BCAEHO CN(C)C(=O)CCNC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000037904466 172360557 /nfs/dbraw/zinc/36/05/57/172360557.db2.gz LJQJBFQYSDJLDG-NSHDSACASA-N 1 3 239.363 0.539 10 0 BCAEHO CN(C)C(=O)CCNC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000037904466 172360559 /nfs/dbraw/zinc/36/05/59/172360559.db2.gz LJQJBFQYSDJLDG-NSHDSACASA-N 1 3 239.363 0.539 10 0 BCAEHO CN(C)CCNC(=O)CCC1CCC([NH3+])CC1 ZINC000055122459 172457365 /nfs/dbraw/zinc/45/73/65/172457365.db2.gz SHAVHLYCQZBMIO-UHFFFAOYSA-N 1 3 241.379 0.962 10 0 BCAEHO CN1CCC[N@@H+]([C@@](C)(CN)C2CC2)CC1 ZINC000035659511 173017795 /nfs/dbraw/zinc/01/77/95/173017795.db2.gz WIGIRIZXHYBKMM-LBPRGKRZSA-N 1 3 211.353 0.751 10 0 BCAEHO CN1CCC[N@H+]([C@@](C)(CN)C2CC2)CC1 ZINC000035659511 173017796 /nfs/dbraw/zinc/01/77/96/173017796.db2.gz WIGIRIZXHYBKMM-LBPRGKRZSA-N 1 3 211.353 0.751 10 0 BCAEHO CN1CCC[C@@H]1CNC(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000227432794 173030562 /nfs/dbraw/zinc/03/05/62/173030562.db2.gz XTIRGYJAMOJPTL-IJLUTSLNSA-N 1 3 239.363 0.572 10 0 BCAEHO C[N@@H+]1CCC[C@H](CNC[C@@H]2COCCO2)C1 ZINC000054243351 173042433 /nfs/dbraw/zinc/04/24/33/173042433.db2.gz VPOHGWAGYVBAPJ-VXGBXAGGSA-N 1 3 228.336 0.333 10 0 BCAEHO C[N@H+]1CCC[C@H](CNC[C@@H]2COCCO2)C1 ZINC000054243351 173042434 /nfs/dbraw/zinc/04/24/34/173042434.db2.gz VPOHGWAGYVBAPJ-VXGBXAGGSA-N 1 3 228.336 0.333 10 0 BCAEHO CN1CCC[C@H](CNC(=O)[C@@H]2CC[NH2+]C2)C1 ZINC000062116602 173042562 /nfs/dbraw/zinc/04/25/62/173042562.db2.gz KRVCTLAAKNPCHP-GHMZBOCLSA-N 1 3 225.336 0.054 10 0 BCAEHO CN([C@H]1CCCN(C)C1)[C@]1(C[NH3+])CCSC1 ZINC000053244677 173044146 /nfs/dbraw/zinc/04/41/46/173044146.db2.gz UBOYGMNZKIHWLD-RYUDHWBXSA-N 1 3 243.420 0.847 10 0 BCAEHO CN(C1CC[NH2+]CC1)[C@H]1CCCN(C)C1 ZINC000053245405 173044947 /nfs/dbraw/zinc/04/49/47/173044947.db2.gz KVQAEIXDYZAVEB-LBPRGKRZSA-N 1 3 211.353 0.764 10 0 BCAEHO CN(C(=O)CCC[NH3+])[C@H]1CCCN(C)C1 ZINC000053245703 173045002 /nfs/dbraw/zinc/04/50/02/173045002.db2.gz QCSIQJXMMWLXNX-JTQLQIEISA-N 1 3 213.325 0.278 10 0 BCAEHO C[N@@H+]1CC[C@H](CNC(=O)[C@@](C)(N)C2CC2)C1 ZINC000037484873 173145419 /nfs/dbraw/zinc/14/54/19/173145419.db2.gz HLVMPVDXMPIUSP-SKDRFNHKSA-N 1 3 225.336 0.182 10 0 BCAEHO C[N@H+]1CC[C@H](CNC(=O)[C@@](C)(N)C2CC2)C1 ZINC000037484873 173145424 /nfs/dbraw/zinc/14/54/24/173145424.db2.gz HLVMPVDXMPIUSP-SKDRFNHKSA-N 1 3 225.336 0.182 10 0 BCAEHO C[N@@H+]1CC[C@](CN)(N2CCOCC2(C)C)C1 ZINC000061990477 173162614 /nfs/dbraw/zinc/16/26/14/173162614.db2.gz JJVPONJPKZENIU-GFCCVEGCSA-N 1 3 227.352 0.130 10 0 BCAEHO C[N@H+]1CC[C@](CN)(N2CCOCC2(C)C)C1 ZINC000061990477 173162615 /nfs/dbraw/zinc/16/26/15/173162615.db2.gz JJVPONJPKZENIU-GFCCVEGCSA-N 1 3 227.352 0.130 10 0 BCAEHO CN(C[C@@H]1CCCO1)[C@@]1(CN)CC[N@H+](C)C1 ZINC000061990485 173162774 /nfs/dbraw/zinc/16/27/74/173162774.db2.gz LZRGXBVCOFRPEB-NWDGAFQWSA-N 1 3 227.352 0.130 10 0 BCAEHO CN(C[C@@H]1CCCO1)[C@@]1(CN)CC[N@@H+](C)C1 ZINC000061990485 173162776 /nfs/dbraw/zinc/16/27/76/173162776.db2.gz LZRGXBVCOFRPEB-NWDGAFQWSA-N 1 3 227.352 0.130 10 0 BCAEHO CNC(=O)C1CCN([C@@H](C)CC[NH3+])CC1 ZINC000041042619 173223369 /nfs/dbraw/zinc/22/33/69/173223369.db2.gz XVMXMCAUQZXHPT-VIFPVBQESA-N 1 3 213.325 0.182 10 0 BCAEHO CNC(=O)[C@H](C)[NH2+][C@@H](C)C1CCN(C)CC1 ZINC000042561272 173302899 /nfs/dbraw/zinc/30/28/99/173302899.db2.gz RNUCBBRETMFXMT-UWVGGRQHSA-N 1 3 227.352 0.441 10 0 BCAEHO C[NH2+]C(C)(C)C(=O)NC[C@H](C)N1CCCCC1 ZINC000061317802 173318339 /nfs/dbraw/zinc/31/83/39/173318339.db2.gz BBPMCUSGVNTKSM-NSHDSACASA-N 1 3 241.379 0.975 10 0 BCAEHO C[NH2+]C(C)(C)C(=O)N[C@@H](C)CN1CCCCC1 ZINC000061300576 173318413 /nfs/dbraw/zinc/31/84/13/173318413.db2.gz ZBKRXZZJYDCEPK-NSHDSACASA-N 1 3 241.379 0.975 10 0 BCAEHO C[NH2+]C[C@@H]1CC[C@@H](CN2CCSCC2)O1 ZINC000052443274 173371712 /nfs/dbraw/zinc/37/17/12/173371712.db2.gz OFTMCOKCHBAJBC-QWRGUYRKSA-N 1 3 230.377 0.802 10 0 BCAEHO C[NH2+]C[C@@H]1CC[C@@H](CN2CCCOCC2)O1 ZINC000061935854 173371905 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CCC[NH2+]CCNC(=O)[C@H](N)CC(C)C ZINC000236800160 488089305 /nfs/dbraw/zinc/08/93/05/488089305.db2.gz KRRZRDSLPRAQCQ-SNVBAGLBSA-N 1 3 215.341 0.476 10 0 BCAEHO CCC[C@H](N)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000236876665 488094151 /nfs/dbraw/zinc/09/41/51/488094151.db2.gz DJHJRIOEGFIRBC-ZJUUUORDSA-N 1 3 213.325 0.372 10 0 BCAEHO CC(C)[C@@H]([NH3+])CC(=O)N1CCN2CCC[C@@H]2C1 ZINC000136392332 488101369 /nfs/dbraw/zinc/10/13/69/488101369.db2.gz BAYOOJPYOUYMFH-NEPJUHHUSA-N 1 3 239.363 0.666 10 0 BCAEHO CCC[N@@H+]1CC[C@H](NC(=O)[C@H](N)[C@@H](C)CC)C1 ZINC000389568952 488102441 /nfs/dbraw/zinc/10/24/41/488102441.db2.gz AGSMDHWRIWUOCL-SDDRHHMPSA-N 1 3 241.379 0.960 10 0 BCAEHO CCC[N@H+]1CC[C@H](NC(=O)[C@H](N)[C@@H](C)CC)C1 ZINC000389568952 488102443 /nfs/dbraw/zinc/10/24/43/488102443.db2.gz AGSMDHWRIWUOCL-SDDRHHMPSA-N 1 3 241.379 0.960 10 0 BCAEHO CCCN1CC[C@@H](NC(=O)[C@H]2CCC[NH2+]C2)C1 ZINC000389664980 488105689 /nfs/dbraw/zinc/10/56/89/488105689.db2.gz SVTUSMVGTSHXGT-NWDGAFQWSA-N 1 3 239.363 0.587 10 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211.309 0.030 10 0 BCAEHO C[C@H](NCCN1CCCC1)[C@H]1CC[NH2+]C1 ZINC000400345642 533856399 /nfs/dbraw/zinc/85/63/99/533856399.db2.gz ITKOMPIOWDFHQS-RYUDHWBXSA-N 1 3 211.353 0.670 10 0 BCAEHO CCOC(=O)C[C@@H](N)[C@H]1CCC[N@H+](C)C1 ZINC000260392159 582880090 /nfs/dbraw/zinc/88/00/90/582880090.db2.gz KJIKZLHMGWPNNM-VHSXEESVSA-N 1 3 214.309 0.609 10 0 BCAEHO CCOC(=O)C[C@@H](N)[C@H]1CCC[N@@H+](C)C1 ZINC000260392159 582880092 /nfs/dbraw/zinc/88/00/92/582880092.db2.gz KJIKZLHMGWPNNM-VHSXEESVSA-N 1 3 214.309 0.609 10 0 BCAEHO CC(C)[C@](C)(O)CN[C@@H](C)[C@H]1CC[NH2+]C1 ZINC000400415272 527966675 /nfs/dbraw/zinc/96/66/75/527966675.db2.gz VBQPLPFYNAOBOM-SDDRHHMPSA-N 1 3 214.353 0.981 10 0 BCAEHO CC(C)[C@@](C)(O)CN[C@@H](C)[C@@H]1CC[NH2+]C1 ZINC000400415275 528880205 /nfs/dbraw/zinc/88/02/05/528880205.db2.gz VBQPLPFYNAOBOM-TUAOUCFPSA-N 1 3 214.353 0.981 10 0 BCAEHO CC(C)[C@H](CO)CN[C@H](C)[C@H]1CC[NH2+]C1 ZINC000400484479 529023889 /nfs/dbraw/zinc/02/38/89/529023889.db2.gz WYQCMULNUOIFNU-WOPDTQHZSA-N 1 3 214.353 0.839 10 0 BCAEHO CC(C)[C@H](CO)CN[C@H](C)[C@@H]1CC[NH2+]C1 ZINC000400484477 529023942 /nfs/dbraw/zinc/02/39/42/529023942.db2.gz WYQCMULNUOIFNU-UTUOFQBUSA-N 1 3 214.353 0.839 10 0 BCAEHO CC[C@H](CN[C@@H](C)[C@H]1CC[NH2+]C1)OC ZINC000400555268 529368355 /nfs/dbraw/zinc/36/83/55/529368355.db2.gz ZASVNQOHFWTJIG-GARJFASQSA-N 1 3 200.326 0.999 10 0 BCAEHO CCCN1CCN(c2ccc(C(N)=[NH2+])cn2)CC1 ZINC000019512852 534933225 /nfs/dbraw/zinc/93/32/25/534933225.db2.gz GSMOTRJYJJQNKT-UHFFFAOYSA-N 1 3 247.346 0.898 10 0 BCAEHO CC(C)[N@H+]1C[C@H](N[C@H](C)CC(N)=O)[C@@H](C)C1 ZINC000252726980 535266138 /nfs/dbraw/zinc/26/61/38/535266138.db2.gz JUOFMTDZVJMFKO-AXFHLTTASA-N 1 3 227.352 0.569 10 0 BCAEHO CC(C)[N@@H+]1C[C@H](N[C@H](C)CC(N)=O)[C@@H](C)C1 ZINC000252726980 535266140 /nfs/dbraw/zinc/26/61/40/535266140.db2.gz JUOFMTDZVJMFKO-AXFHLTTASA-N 1 3 227.352 0.569 10 0 BCAEHO CC(C)C[C@H](N)C(=O)N1CC[C@H]([NH3+])C(C)(C)C1 ZINC000262166284 535315910 /nfs/dbraw/zinc/31/59/10/535315910.db2.gz YGXLJFWIGHTHIG-QWRGUYRKSA-N 1 3 241.379 0.946 10 0 BCAEHO CCC[C@H](N)C(=O)N(CCC)[C@@H]1CC[NH2+]C1 ZINC000178408101 535674784 /nfs/dbraw/zinc/67/47/84/535674784.db2.gz RUUSKMVQMLKYSX-MNOVXSKESA-N 1 3 227.352 0.714 10 0 BCAEHO CCC[C@H](N)C(=O)N1CCCC[C@H]1[C@H](C)[NH3+] ZINC000262469459 535677278 /nfs/dbraw/zinc/67/72/78/535677278.db2.gz ZLONKSFBACPIAV-DCAQKATOSA-N 1 3 227.352 0.842 10 0 BCAEHO CCC[C@](C)(N)C(=O)N1CC[C@H]([NH3+])[C@H]1C ZINC000261541103 535759310 /nfs/dbraw/zinc/75/93/10/535759310.db2.gz FNDPLQUSUJXMLY-YWVKMMECSA-N 1 3 213.325 0.452 10 0 BCAEHO CN1CCC[C@@H]1CNC(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000261533926 536374052 /nfs/dbraw/zinc/37/40/52/536374052.db2.gz LMXPUBXYQKQWEK-GARJFASQSA-N 1 3 225.336 0.324 10 0 BCAEHO C[NH2+][C@H](C)CNC(=O)C1(N)CCCCC1 ZINC000261540543 536390981 /nfs/dbraw/zinc/39/09/81/536390981.db2.gz FBWWYYWVMYJAFY-SECBINFHSA-N 1 3 213.325 0.372 10 0 BCAEHO C[NH2+][C@H](C)CNC(=O)C1CCN(C)CC1 ZINC000261710835 536391063 /nfs/dbraw/zinc/39/10/63/536391063.db2.gz JWTLHBPKLDKJIB-SECBINFHSA-N 1 3 213.325 0.052 10 0 BCAEHO [NH3+][C@H](CC(=O)Nc1ccnn1C1CNC1)C1CC1 ZINC000725259371 566306222 /nfs/dbraw/zinc/30/62/22/566306222.db2.gz XSYZKVIHHVHKEB-SNVBAGLBSA-N 1 3 249.318 0.093 10 0 BCAEHO NCc1cn(C2CC[NH+](C3CC3)CC2)nn1 ZINC000675051982 566375914 /nfs/dbraw/zinc/37/59/14/566375914.db2.gz ZYUVFAMXOZESQZ-UHFFFAOYSA-N 1 3 221.308 0.536 10 0 BCAEHO C1[NH2+]CC12CCN[C@]1(CCSC1)O2 ZINC000757153838 582539126 /nfs/dbraw/zinc/53/91/26/582539126.db2.gz ZKUAZLATLNPDCE-SECBINFHSA-N 1 3 200.307 0.172 10 0 BCAEHO C1[NH2+]CC12CCN[C@@]1(CCSC1)O2 ZINC000757153840 582539380 /nfs/dbraw/zinc/53/93/80/582539380.db2.gz ZKUAZLATLNPDCE-VIFPVBQESA-N 1 3 200.307 0.172 10 0 BCAEHO Cc1ccc(N)cc1[C@H]1CNC[C@@H]([NH3+])C1 ZINC000757237572 586443768 /nfs/dbraw/zinc/44/37/68/586443768.db2.gz QGEZXEFANQUHAQ-KOLCDFICSA-N 1 3 205.305 0.981 10 0 BCAEHO Cc1ccc(N)cc1[C@@H]1CNC[C@H]([NH3+])C1 ZINC000757237570 586443903 /nfs/dbraw/zinc/44/39/03/586443903.db2.gz QGEZXEFANQUHAQ-GXSJLCMTSA-N 1 3 205.305 0.981 10 0 BCAEHO COC(=O)[C@@H](C[NH3+])C1CCN(C)CC1 ZINC000107143240 588331103 /nfs/dbraw/zinc/33/11/03/588331103.db2.gz XNZQQCDZWWLDRN-VIFPVBQESA-N 1 3 200.282 0.076 10 0 BCAEHO CCC[C@H](N)C(=O)N1CCC[C@@H]([NH2+]C)C1 ZINC000131769994 591654560 /nfs/dbraw/zinc/65/45/60/591654560.db2.gz MFNZECKQLCVPED-ZJUUUORDSA-N 1 3 213.325 0.324 10 0 BCAEHO C([C@H]1CCC[NH2+]1)N1CCN2CCCC[C@H]2C1 ZINC000250807802 635701889 /nfs/dbraw/zinc/70/18/89/635701889.db2.gz CVJAJLZHVKBSSC-OLZOCXBDSA-N 1 3 223.364 0.909 10 0 BCAEHO CCN1CCC[C@H](NC(=O)C[NH2+]CC2CC2)C1 ZINC000040503665 633816383 /nfs/dbraw/zinc/81/63/83/633816383.db2.gz MOCQGPDJJXOMGZ-LBPRGKRZSA-N 1 3 239.363 0.587 10 0 BCAEHO CCCCOC[C@@H](O)CN1CC[C@@](C)(C[NH3+])C1 ZINC000310276442 634104953 /nfs/dbraw/zinc/10/49/53/634104953.db2.gz JUMOCKLTOKTSGW-STQMWFEESA-N 1 3 244.379 0.835 10 0 BCAEHO CCN1CCC[C@H]1CNC(=O)[C@H]1CCCC[NH2+]1 ZINC000157202947 640638813 /nfs/dbraw/zinc/63/88/13/640638813.db2.gz VDKMULDBZGUXMP-NWDGAFQWSA-N 1 3 239.363 0.729 10 0 BCAEHO CC(C)OC[C@@H](O)CN1CCC[C@@H](C[NH3+])C1 ZINC000226126966 640733500 /nfs/dbraw/zinc/73/35/00/640733500.db2.gz CKVSPNKZYMMXIP-RYUDHWBXSA-N 1 3 230.352 0.443 10 0 BCAEHO CC(C)OC[C@@H](O)CN1CCC[C@H](C[NH3+])C1 ZINC000069660938 642893120 /nfs/dbraw/zinc/89/31/20/642893120.db2.gz CKVSPNKZYMMXIP-NEPJUHHUSA-N 1 3 230.352 0.443 10 0 BCAEHO CC(C)OC[C@H](O)CN1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000070099139 642969260 /nfs/dbraw/zinc/96/92/60/642969260.db2.gz NFJKWQVYGJBYNU-FRRDWIJNSA-N 1 3 244.379 0.832 10 0 BCAEHO NC(=O)[C@H]1CCN1[C@H]1CCC[C@@H](C[NH3+])C1 ZINC000757155224 643346777 /nfs/dbraw/zinc/34/67/77/643346777.db2.gz FKNQKQSPHQWEJD-KXUCPTDWSA-N 1 3 211.309 0.064 10 0 BCAEHO NC(=O)[C@@H]1CCN1[C@H]1CCC[C@@H](C[NH3+])C1 ZINC000757155234 643347032 /nfs/dbraw/zinc/34/70/32/643347032.db2.gz FKNQKQSPHQWEJD-UTLUCORTSA-N 1 3 211.309 0.064 10 0 BCAEHO CC(C)OC[C@H](O)CN1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000250586411 644768290 /nfs/dbraw/zinc/76/82/90/644768290.db2.gz NFJKWQVYGJBYNU-YNEHKIRRSA-N 1 3 244.379 0.832 10 0 BCAEHO C[NH+](C)[C@@H]1CCN(C(=O)[C@@H](N)CC2CC2)C1 ZINC000304308553 644890065 /nfs/dbraw/zinc/89/00/65/644890065.db2.gz CKQRADUJCGRKOJ-MNOVXSKESA-N 1 3 225.336 0.276 10 0 BCAEHO C[NH2+][C@H](C)C(=O)N1CCN(C)C(C)(C)CC1 ZINC000712668376 712439588 /nfs/dbraw/zinc/43/95/88/712439588.db2.gz JJPUNQDMCDRJBB-SNVBAGLBSA-N 1 3 227.352 0.537 10 0 BCAEHO CC(C)OC[C@H](O)CN1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000708893249 712202798 /nfs/dbraw/zinc/20/27/98/712202798.db2.gz JNNKIZSLIPNYKR-IJLUTSLNSA-N 1 3 230.352 0.299 10 0 BCAEHO COC(=O)CC[N@@H+]1CCNCCC1(C)C ZINC000712525191 712441250 /nfs/dbraw/zinc/44/12/50/712441250.db2.gz UPMGFTUZYFQPCM-UHFFFAOYSA-N 1 3 214.309 0.623 10 0 BCAEHO COC(=O)CC[N@H+]1CCNCCC1(C)C ZINC000712525191 712441251 /nfs/dbraw/zinc/44/12/51/712441251.db2.gz UPMGFTUZYFQPCM-UHFFFAOYSA-N 1 3 214.309 0.623 10 0 BCAEHO NC[C@@H]1CCCC[C@H]1[NH2+]C1CC(C(N)=O)C1 ZINC000716771998 712572802 /nfs/dbraw/zinc/57/28/02/712572802.db2.gz XZRNURBBYMQLGV-IDWGSYCQSA-N 1 3 225.336 0.357 10 0 BCAEHO C[C@H](N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)c1cn(C)nn1 ZINC000720601657 712857255 /nfs/dbraw/zinc/85/72/55/712857255.db2.gz IJSBWVWXRYWDPH-NNYUYHANSA-N 1 3 249.362 0.854 10 0 BCAEHO CN1CCC[C@@H]2[C@@H]1CCN2C(=O)[C@H]1CC[NH2+]C1 ZINC000720885185 712874149 /nfs/dbraw/zinc/87/41/49/712874149.db2.gz CWUDJIJBNBSRPB-SDDRHHMPSA-N 1 3 237.347 0.291 10 0 BCAEHO CCN1CC[C@H]([NH3+])[C@]12CN1CCC2CC1 ZINC000685955261 538900480 /nfs/dbraw/zinc/90/04/80/538900480.db2.gz WYUSERNHGQMRDE-NWDGAFQWSA-N 1 3 209.337 0.504 10 0 BCAEHO C[C@@H](CNC(=O)[C@]1(C)CCCC[NH2+]1)N(C)C ZINC000159588830 136214423 /nfs/dbraw/zinc/21/44/23/136214423.db2.gz OHWWBENVRBWUJX-JQWIXIFHSA-N 1 3 227.352 0.585 10 0 BCAEHO C[C@@H](CNC(=O)[C@@]1(C)CCCC[NH2+]1)N(C)C ZINC000159589110 136214445 /nfs/dbraw/zinc/21/44/45/136214445.db2.gz OHWWBENVRBWUJX-CMPLNLGQSA-N 1 3 227.352 0.585 10 0 BCAEHO C[C@@H](O)C1CC[NH+]([C@H](C)[C@H](C)N)CC1 ZINC000307511898 398173972 /nfs/dbraw/zinc/17/39/72/398173972.db2.gz LXEQDSOWDMSERX-IVZWLZJFSA-N 1 3 200.326 0.815 10 0 BCAEHO [NH3+][C@@H]1CC[C@@H]2CN(CCc3cn[nH]c3)C[C@@H]12 ZINC000381495398 398257829 /nfs/dbraw/zinc/25/78/29/398257829.db2.gz BOKFVPAQBXEJFP-IJLUTSLNSA-N 1 3 220.320 0.621 10 0 BCAEHO [NH3+][C@@H]1CC[C@@H]2CN(CCc3cn[nH]c3)C[C@H]12 ZINC000381495391 398257869 /nfs/dbraw/zinc/25/78/69/398257869.db2.gz BOKFVPAQBXEJFP-GRYCIOLGSA-N 1 3 220.320 0.621 10 0 BCAEHO CCC[C@H](N)C(=O)NC(C)(C)CCC[NH3+] ZINC000378865188 346849664 /nfs/dbraw/zinc/84/96/64/346849664.db2.gz YTOYPICOPBQVSV-VIFPVBQESA-N 1 3 215.341 0.748 10 0 BCAEHO CN(C)C[C@@H]1COC[C@@H]1[NH+]1CCC(CO)CC1 ZINC000725273977 539026850 /nfs/dbraw/zinc/02/68/50/539026850.db2.gz ZVEUBSAZMHRTCB-OLZOCXBDSA-N 1 3 242.363 0.267 10 0 BCAEHO NC1(C(=O)N[C@H](C[NH3+])C2CC2)CCCC1 ZINC000381256835 398307395 /nfs/dbraw/zinc/30/73/95/398307395.db2.gz QYHJSHFUWJJFBP-SECBINFHSA-N 1 3 211.309 0.111 10 0 BCAEHO NCC1([NH3+])CCN(Cc2ccncc2)CC1 ZINC000116851198 342938648 /nfs/dbraw/zinc/93/86/48/342938648.db2.gz WGEMXCTUBHNTPZ-UHFFFAOYSA-N 1 3 220.320 0.334 10 0 BCAEHO NC1(C[NH3+])CCN(Cc2ccncc2)CC1 ZINC000116851198 342938649 /nfs/dbraw/zinc/93/86/49/342938649.db2.gz WGEMXCTUBHNTPZ-UHFFFAOYSA-N 1 3 220.320 0.334 10 0 BCAEHO C[C@H](O)C(C)(C)[NH2+]C[C@@H]1CCCNC1 ZINC000220390995 343041163 /nfs/dbraw/zinc/04/11/63/343041163.db2.gz KIZXPHFFPWRYLX-VHSXEESVSA-N 1 3 200.326 0.735 10 0 BCAEHO C[C@H](O)C(C)(C)NC[C@@H]1CCC[NH2+]C1 ZINC000220390995 343041165 /nfs/dbraw/zinc/04/11/65/343041165.db2.gz KIZXPHFFPWRYLX-VHSXEESVSA-N 1 3 200.326 0.735 10 0 BCAEHO CCC[NH+]1CCC(N[C@H]2CCOC[C@H]2O)CC1 ZINC000624235786 343579238 /nfs/dbraw/zinc/57/92/38/343579238.db2.gz PJYTYIYDBWAWDH-QWHCGFSZSA-N 1 3 242.363 0.600 10 0 BCAEHO CN1CCC(C(=O)N2C[C@H]3CC[C@@]3([NH3+])C2)CC1 ZINC000616571114 344178494 /nfs/dbraw/zinc/17/84/94/344178494.db2.gz DWWZXDJZJTUHJY-DGCLKSJQSA-N 1 3 237.347 0.278 10 0 BCAEHO CCC[C@H](N)C(=O)N1CCC(C[NH+](C)C)CC1 ZINC000037826115 344593737 /nfs/dbraw/zinc/59/37/37/344593737.db2.gz RYIBMQUHUSCMGE-LBPRGKRZSA-N 1 3 241.379 0.914 10 0 BCAEHO COC(=O)CCN1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000309437845 347062235 /nfs/dbraw/zinc/06/22/35/347062235.db2.gz KXVQUMCMCIWIAZ-JQWIXIFHSA-N 1 3 226.320 0.610 10 0 BCAEHO COC(=O)CC[N@@H+]1C[C@@H]2CCC[C@]2(CN)C1 ZINC000309437845 347062237 /nfs/dbraw/zinc/06/22/37/347062237.db2.gz KXVQUMCMCIWIAZ-JQWIXIFHSA-N 1 3 226.320 0.610 10 0 BCAEHO COC(=O)CC[N@H+]1C[C@@H]2CCC[C@]2(CN)C1 ZINC000309437845 347062239 /nfs/dbraw/zinc/06/22/39/347062239.db2.gz KXVQUMCMCIWIAZ-JQWIXIFHSA-N 1 3 226.320 0.610 10 0 BCAEHO CCN1CCC[C@H]1CN(C)C(=O)[C@H](C)C[NH2+]C ZINC000245442175 345227981 /nfs/dbraw/zinc/22/79/81/345227981.db2.gz WBLLQMVUMVYPCV-NEPJUHHUSA-N 1 3 241.379 0.785 10 0 BCAEHO c1c([C@H]2CCCN2)nnn1C[C@@H]1CCC[NH2+]1 ZINC000725241171 537976558 /nfs/dbraw/zinc/97/65/58/537976558.db2.gz ARXOVRIIOAPXTJ-VHSXEESVSA-N 1 3 221.308 0.455 10 0 BCAEHO CO[C@H](C)CN1CCC[NH2+]C[C@H](C)C1 ZINC000299893033 347151203 /nfs/dbraw/zinc/15/12/03/347151203.db2.gz GXTQWJCHSMTNPB-WDEREUQCSA-N 1 3 200.326 0.953 10 0 BCAEHO CC[NH+](CC)C[C@H](C)NC(=O)[C@@H](C)NC ZINC000054076844 348880173 /nfs/dbraw/zinc/88/01/73/348880173.db2.gz LIFBWEQDDOPEGM-VHSXEESVSA-N 1 3 215.341 0.441 10 0 BCAEHO C[NH2+][C@H](C)C(=O)N[C@H](CC(C)C)CN(C)C ZINC000054072704 348888425 /nfs/dbraw/zinc/88/84/25/348888425.db2.gz LKRCLLCBZZWERH-GHMZBOCLSA-N 1 3 229.368 0.687 10 0 BCAEHO CN[C@H](C)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000054074461 348889645 /nfs/dbraw/zinc/88/96/45/348889645.db2.gz DAKCGJDQNXMKIX-ZJUUUORDSA-N 1 3 225.336 0.195 10 0 BCAEHO CN[C@H](C)C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000054074461 348889647 /nfs/dbraw/zinc/88/96/47/348889647.db2.gz DAKCGJDQNXMKIX-ZJUUUORDSA-N 1 3 225.336 0.195 10 0 BCAEHO CN1CCC(C(=O)N[C@]23CC[C@H]2C[NH2+]C3)CC1 ZINC000616573567 349066573 /nfs/dbraw/zinc/06/65/73/349066573.db2.gz SPLLOWMPCZQWIZ-AAEUAGOBSA-N 1 3 237.347 0.196 10 0 BCAEHO CN[C@H](C)C(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000251945757 349194244 /nfs/dbraw/zinc/19/42/44/349194244.db2.gz ZZJUGIAPPRAIBZ-MXWKQRLJSA-N 1 3 225.336 0.289 10 0 BCAEHO CN[C@H](C)C(=O)N1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC000251945757 349194248 /nfs/dbraw/zinc/19/42/48/349194248.db2.gz ZZJUGIAPPRAIBZ-MXWKQRLJSA-N 1 3 225.336 0.289 10 0 BCAEHO C[NH2+][C@H](C)C(=O)N1C[C@@H]2CCCN2C[C@H]1C ZINC000251945757 349194252 /nfs/dbraw/zinc/19/42/52/349194252.db2.gz ZZJUGIAPPRAIBZ-MXWKQRLJSA-N 1 3 225.336 0.289 10 0 BCAEHO C[C@@H]1[NH2+]CC[C@H]1C(=O)N1CCN2CCC[C@H]2C1 ZINC000252613371 349206899 /nfs/dbraw/zinc/20/68/99/349206899.db2.gz XFGISJYEOYOXKW-SDDRHHMPSA-N 1 3 237.347 0.291 10 0 BCAEHO C[C@H]1CCN(CC(C)(C)C[NH3+])C[C@H]1O ZINC000299901182 349314312 /nfs/dbraw/zinc/31/43/12/349314312.db2.gz AUYAJHDKGARFLF-VHSXEESVSA-N 1 3 200.326 0.674 10 0 BCAEHO C[C@H]1CC[N@H+](CC(C)(C)CN)C[C@H]1O ZINC000299901182 349314316 /nfs/dbraw/zinc/31/43/16/349314316.db2.gz AUYAJHDKGARFLF-VHSXEESVSA-N 1 3 200.326 0.674 10 0 BCAEHO C[C@H]1CC[N@@H+](CC(C)(C)CN)C[C@H]1O ZINC000299901182 349314319 /nfs/dbraw/zinc/31/43/19/349314319.db2.gz AUYAJHDKGARFLF-VHSXEESVSA-N 1 3 200.326 0.674 10 0 BCAEHO N[C@@H](C(=O)Nc1ccnn1C1C[NH2+]C1)C1CCC1 ZINC000725258461 538075097 /nfs/dbraw/zinc/07/50/97/538075097.db2.gz PWKAUTFATKKVOR-LLVKDONJSA-N 1 3 249.318 0.093 10 0 BCAEHO C[NH+](C)[C@H]1CCN(C(=O)[C@@H](N)CC(F)F)C1 ZINC000309370858 350355270 /nfs/dbraw/zinc/35/52/70/350355270.db2.gz BDAJJTWVJUJHTK-YUMQZZPRSA-N 1 3 235.278 0.131 10 0 BCAEHO CCCC[C@H](C)NC[C@H]1C[NH2+]C[C@@H]1O ZINC000336651802 350579814 /nfs/dbraw/zinc/57/98/14/350579814.db2.gz XIAMPGRVMOAEAA-AXFHLTTASA-N 1 3 200.326 0.735 10 0 BCAEHO NCC[N@@H+]1CC[C@@H](c2cccc(CCO)c2)C1 ZINC000616614337 350831898 /nfs/dbraw/zinc/83/18/98/350831898.db2.gz IXRHLBVHVROTDU-CQSZACIVSA-N 1 3 234.343 0.969 10 0 BCAEHO NCC[N@H+]1CC[C@@H](c2cccc(CCO)c2)C1 ZINC000616614337 350831900 /nfs/dbraw/zinc/83/19/00/350831900.db2.gz IXRHLBVHVROTDU-CQSZACIVSA-N 1 3 234.343 0.969 10 0 BCAEHO C[C@](O)(CN)C[N@@H+]1CCCSCC1 ZINC000306683608 350841425 /nfs/dbraw/zinc/84/14/25/350841425.db2.gz WNOQRYSBBZRLCL-VIFPVBQESA-N 1 3 204.339 0.135 10 0 BCAEHO C[C@](O)(CN)C[N@H+]1CCCSCC1 ZINC000306683608 350841427 /nfs/dbraw/zinc/84/14/27/350841427.db2.gz WNOQRYSBBZRLCL-VIFPVBQESA-N 1 3 204.339 0.135 10 0 BCAEHO C[C@](O)(C[NH3+])CN1CCCSCC1 ZINC000306683608 350841428 /nfs/dbraw/zinc/84/14/28/350841428.db2.gz WNOQRYSBBZRLCL-VIFPVBQESA-N 1 3 204.339 0.135 10 0 BCAEHO Nc1ccccc1[C@@H]1CNCCN1CC[NH3+] ZINC000616635246 351119351 /nfs/dbraw/zinc/11/93/51/351119351.db2.gz AWWFNEYODFYLKD-LBPRGKRZSA-N 1 3 220.320 0.174 10 0 BCAEHO NCC[N@@H+]1CCC[C@H](c2c[nH]cn2)CC1 ZINC000616627564 351095822 /nfs/dbraw/zinc/09/58/22/351095822.db2.gz HPRJJOITMPMYSS-JTQLQIEISA-N 1 3 208.309 0.938 10 0 BCAEHO NCC[N@H+]1CCC[C@H](c2c[nH]cn2)CC1 ZINC000616627564 351095826 /nfs/dbraw/zinc/09/58/26/351095826.db2.gz HPRJJOITMPMYSS-JTQLQIEISA-N 1 3 208.309 0.938 10 0 BCAEHO CNc1ccccc1[C@H]1CN(CC[NH3+])CCN1 ZINC000616653817 351194972 /nfs/dbraw/zinc/19/49/72/351194972.db2.gz LICGZMXTVCBHGK-CYBMUJFWSA-N 1 3 234.347 0.633 10 0 BCAEHO [NH3+]CCN1CCN[C@@H](c2cccc(CCO)c2)C1 ZINC000616652125 351189947 /nfs/dbraw/zinc/18/99/47/351189947.db2.gz BVMZRNPBYUWWSR-CQSZACIVSA-N 1 3 249.358 0.126 10 0 BCAEHO CN(C)[C@H]1CCN(C(=O)CCC2C[NH2+]C2)C1 ZINC000638277485 352112205 /nfs/dbraw/zinc/11/22/05/352112205.db2.gz ZKHYWPGRYQXQOO-NSHDSACASA-N 1 3 225.336 0.149 10 0 BCAEHO CC(C)CC[C@@H](N)C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000638277526 352112459 /nfs/dbraw/zinc/11/24/59/352112459.db2.gz ZPUDCRYQESTYDL-VXGBXAGGSA-N 1 3 241.379 0.912 10 0 BCAEHO COC(=O)CCN[C@H]1C[C@@H]([NH3+])C1(C)C ZINC000405201305 352115443 /nfs/dbraw/zinc/11/54/43/352115443.db2.gz CVOFPCWRBQFJSD-SFYZADRCSA-N 1 3 200.282 0.265 10 0 BCAEHO COC(=O)CC[NH2+][C@H]1C[C@@H](N)C1(C)C ZINC000405201305 352115446 /nfs/dbraw/zinc/11/54/46/352115446.db2.gz CVOFPCWRBQFJSD-SFYZADRCSA-N 1 3 200.282 0.265 10 0 BCAEHO CC[N@@H+]1CCC[C@H](NC(=O)[C@@H](N)C(C)(C)C)C1 ZINC000040503494 352598463 /nfs/dbraw/zinc/59/84/63/352598463.db2.gz QQKJRLUYJAXTQJ-WDEREUQCSA-N 1 3 241.379 0.960 10 0 BCAEHO CC[N@H+]1CCC[C@H](NC(=O)[C@@H](N)C(C)(C)C)C1 ZINC000040503494 352598467 /nfs/dbraw/zinc/59/84/67/352598467.db2.gz QQKJRLUYJAXTQJ-WDEREUQCSA-N 1 3 241.379 0.960 10 0 BCAEHO CC(=O)N1CCCN(CCCC[NH3+])CC1 ZINC000037038489 188105469 /nfs/dbraw/zinc/10/54/69/188105469.db2.gz NYPRONRJVYIFRS-UHFFFAOYSA-N 1 3 213.325 0.280 10 0 BCAEHO CCC1([NH+](C)C)CCN(C(=O)[C@@H](C)NC)CC1 ZINC000638981641 353191982 /nfs/dbraw/zinc/19/19/82/353191982.db2.gz VUPQKUGDNCJRRN-LLVKDONJSA-N 1 3 241.379 0.927 10 0 BCAEHO CC(C)COC[C@@H](O)CN[C@H](C)CC[NH+](C)C ZINC000049557142 188124821 /nfs/dbraw/zinc/12/48/21/188124821.db2.gz KQGFXQQBOUKIEQ-OLZOCXBDSA-N 1 3 246.395 0.950 10 0 BCAEHO CCC[C@H](CC)NC[C@H]1C[NH2+]C[C@@H]1O ZINC000336650977 188163499 /nfs/dbraw/zinc/16/34/99/188163499.db2.gz RSTDMBXKIRQKLB-VWYCJHECSA-N 1 3 200.326 0.735 10 0 BCAEHO CCC[C@H](CC)[NH2+]C[C@H]1CNC[C@@H]1O ZINC000336650977 188163500 /nfs/dbraw/zinc/16/35/00/188163500.db2.gz RSTDMBXKIRQKLB-VWYCJHECSA-N 1 3 200.326 0.735 10 0 BCAEHO CC(C)C[C@H](N)C(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000236688127 188190928 /nfs/dbraw/zinc/19/09/28/188190928.db2.gz QRVVQRWJGIYFFK-NEPJUHHUSA-N 1 3 241.379 0.866 10 0 BCAEHO CCN1CCC(NC(=O)[C@@H]2CC[C@@H]([NH3+])C2)CC1 ZINC000091543218 353409613 /nfs/dbraw/zinc/40/96/13/353409613.db2.gz HBMKDIZRNIWEIP-GHMZBOCLSA-N 1 3 239.363 0.714 10 0 BCAEHO CCN1CCC[C@@H]1CNC(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000097092514 353708913 /nfs/dbraw/zinc/70/89/13/353708913.db2.gz NBXAIZHTYVEYSW-GRYCIOLGSA-N 1 3 239.363 0.714 10 0 BCAEHO C[C@H]([NH3+])[C@H](CO)N1C[C@H](C)C[C@H](C)C1 ZINC000224817693 363442884 /nfs/dbraw/zinc/44/28/84/363442884.db2.gz OIJPSJNQQURUCU-VLEAKVRGSA-N 1 3 200.326 0.672 10 0 BCAEHO NC(=O)C1CCC([NH2+]C2CCNCC2)CC1 ZINC000038041405 181216721 /nfs/dbraw/zinc/21/67/21/181216721.db2.gz QFELQAQMZGYHMQ-UHFFFAOYSA-N 1 3 225.336 0.372 10 0 BCAEHO CN(C)C[C@H](O)c1ccc2c(c1)C[NH2+]CC2 ZINC000675060066 538485990 /nfs/dbraw/zinc/48/59/90/538485990.db2.gz ZYVMOHVNPNGYJT-ZDUSSCGKSA-N 1 3 220.316 0.927 10 0 BCAEHO COC(=O)[C@H](C[NH3+])C1CCN(C2CC2)CC1 ZINC000675073346 538505320 /nfs/dbraw/zinc/50/53/20/538505320.db2.gz NGSDAKLCMGJNNY-LLVKDONJSA-N 1 3 226.320 0.609 10 0 BCAEHO COCCN[C@H]1C[C@@H]([NH3+])C12CCOCC2 ZINC000675079016 538517160 /nfs/dbraw/zinc/51/71/60/538517160.db2.gz DKQPSBALOHVOCA-ZJUUUORDSA-N 1 3 214.309 0.119 10 0 BCAEHO COCC[NH2+][C@H]1C[C@@H](N)C12CCOCC2 ZINC000675079016 538517162 /nfs/dbraw/zinc/51/71/62/538517162.db2.gz DKQPSBALOHVOCA-ZJUUUORDSA-N 1 3 214.309 0.119 10 0 BCAEHO COCCN[C@H]1C[C@H]([NH3+])C12CCOCC2 ZINC000675079011 538518043 /nfs/dbraw/zinc/51/80/43/538518043.db2.gz DKQPSBALOHVOCA-UWVGGRQHSA-N 1 3 214.309 0.119 10 0 BCAEHO COCC[NH2+][C@H]1C[C@H](N)C12CCOCC2 ZINC000675079011 538518046 /nfs/dbraw/zinc/51/80/46/538518046.db2.gz DKQPSBALOHVOCA-UWVGGRQHSA-N 1 3 214.309 0.119 10 0 BCAEHO Cn1nccc1CCC1=C[C@H]([NH3+])CNC1 ZINC000675079352 538518176 /nfs/dbraw/zinc/51/81/76/538518176.db2.gz XWYVMKUFTHMPRA-JTQLQIEISA-N 1 3 206.293 0.210 10 0 BCAEHO CN(C)c1cc(N2CCNCC2)cc[nH+]1 ZINC000223676207 357001066 /nfs/dbraw/zinc/00/10/66/357001066.db2.gz QMXMDLSCBLFTAL-UHFFFAOYSA-N 1 3 206.293 0.557 10 0 BCAEHO CN(CC(C)(C)O)[C@@H]1CCC[NH2+]CC1 ZINC000160718846 357320428 /nfs/dbraw/zinc/32/04/28/357320428.db2.gz TURUVBQBKUCQFM-SNVBAGLBSA-N 1 3 200.326 0.831 10 0 BCAEHO C[N@H+](CC(C)(C)O)[C@@H]1CCCNCC1 ZINC000160718846 357320433 /nfs/dbraw/zinc/32/04/33/357320433.db2.gz TURUVBQBKUCQFM-SNVBAGLBSA-N 1 3 200.326 0.831 10 0 BCAEHO C[N@@H+](CC(C)(C)O)[C@@H]1CCCNCC1 ZINC000160718846 357320437 /nfs/dbraw/zinc/32/04/37/357320437.db2.gz TURUVBQBKUCQFM-SNVBAGLBSA-N 1 3 200.326 0.831 10 0 BCAEHO C[C@@H]1C[C@H](N)CC[N@@H+]1CCC(C)(C)O ZINC000168966955 358001748 /nfs/dbraw/zinc/00/17/48/358001748.db2.gz NJHNTAXHQHQNKX-NXEZZACHSA-N 1 3 200.326 0.959 10 0 BCAEHO C[C@@H]1C[C@H](N)CC[N@H+]1CCC(C)(C)O ZINC000168966955 358001750 /nfs/dbraw/zinc/00/17/50/358001750.db2.gz NJHNTAXHQHQNKX-NXEZZACHSA-N 1 3 200.326 0.959 10 0 BCAEHO COCCN(C)CCN[C@@H]1CCC[NH2+]CC1 ZINC000168749042 134247638 /nfs/dbraw/zinc/24/76/38/134247638.db2.gz GOFUWXQOZZUCOD-GFCCVEGCSA-N 1 3 229.368 0.296 10 0 BCAEHO CCN1CCC[C@@H](NC(=O)CC[NH2+]C2CC2)C1 ZINC000040503663 358237463 /nfs/dbraw/zinc/23/74/63/358237463.db2.gz ZAAXYIAPFUBDKB-GFCCVEGCSA-N 1 3 239.363 0.729 10 0 BCAEHO CCN1CCC[C@H](NC(=O)CC[NH2+]C2CC2)C1 ZINC000040503661 358237608 /nfs/dbraw/zinc/23/76/08/358237608.db2.gz ZAAXYIAPFUBDKB-LBPRGKRZSA-N 1 3 239.363 0.729 10 0 BCAEHO CCC[C@@H](N)C(=O)NC[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000040624505 358243894 /nfs/dbraw/zinc/24/38/94/358243894.db2.gz BWVKWBPMZUUGLP-NWDGAFQWSA-N 1 3 241.379 0.960 10 0 BCAEHO CCC[C@@H](N)C(=O)NC[C@@H]1CC[N@H+](C(C)C)C1 ZINC000040624505 358243895 /nfs/dbraw/zinc/24/38/95/358243895.db2.gz BWVKWBPMZUUGLP-NWDGAFQWSA-N 1 3 241.379 0.960 10 0 BCAEHO CCCN(CCN(C)C)C(=O)[C@H]1CCC[NH2+]C1 ZINC000041680239 358333596 /nfs/dbraw/zinc/33/35/96/358333596.db2.gz MBCWGZYRPIFBJW-LBPRGKRZSA-N 1 3 241.379 0.786 10 0 BCAEHO CN(C)C(=O)CCN(C)[C@@H]1CCC[NH2+]CC1 ZINC000226467191 358339836 /nfs/dbraw/zinc/33/98/36/358339836.db2.gz KYULZQXHWMAPKH-LLVKDONJSA-N 1 3 227.352 0.539 10 0 BCAEHO C[C@H](CNC(=O)[C@H]1CC[C@@H]([NH3+])C1)N1CCCC1 ZINC000226540246 358340685 /nfs/dbraw/zinc/34/06/85/358340685.db2.gz HFCLLZWKEAXCSJ-GRYCIOLGSA-N 1 3 239.363 0.714 10 0 BCAEHO [NH3+]C[C@@H]1CCCN1C(=O)C[C@H]1CSCCN1 ZINC000131094823 358659636 /nfs/dbraw/zinc/65/96/36/358659636.db2.gz QTVQLZPDLXBMCF-UWVGGRQHSA-N 1 3 243.376 0.031 10 0 BCAEHO [NH3+]C[C@H]1CCCN1C(=O)C[C@H]1CSCCN1 ZINC000131094589 358660110 /nfs/dbraw/zinc/66/01/10/358660110.db2.gz QTVQLZPDLXBMCF-VHSXEESVSA-N 1 3 243.376 0.031 10 0 BCAEHO CC[C@](C)([C@H](C)[NH3+])N1CC[C@@](C)(O)C1 ZINC000306151217 358914453 /nfs/dbraw/zinc/91/44/53/358914453.db2.gz HFFIDVKMOVUOAE-HBNTYKKESA-N 1 3 200.326 0.959 10 0 BCAEHO CN[C@H](C)C(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000086932362 359592263 /nfs/dbraw/zinc/59/22/63/359592263.db2.gz ZZJUGIAPPRAIBZ-HBNTYKKESA-N 1 3 225.336 0.289 10 0 BCAEHO CN[C@H](C)C(=O)N1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC000086932362 359592265 /nfs/dbraw/zinc/59/22/65/359592265.db2.gz ZZJUGIAPPRAIBZ-HBNTYKKESA-N 1 3 225.336 0.289 10 0 BCAEHO C[NH2+][C@H](C)C(=O)N1C[C@H]2CCCN2C[C@@H]1C ZINC000086932362 359592267 /nfs/dbraw/zinc/59/22/67/359592267.db2.gz ZZJUGIAPPRAIBZ-HBNTYKKESA-N 1 3 225.336 0.289 10 0 BCAEHO CN(C)C1CN([C@]2(C[NH3+])CCSC2)C1 ZINC000306575690 360464962 /nfs/dbraw/zinc/46/49/62/360464962.db2.gz JOJCNENODLXOPA-JTQLQIEISA-N 1 3 215.366 0.067 10 0 BCAEHO C[C@@H](O)CN(C)[C@@H]1CC[NH2+]CC1(C)C ZINC000300811052 360517800 /nfs/dbraw/zinc/51/78/00/360517800.db2.gz HDCUBOFKCNOEEC-NXEZZACHSA-N 1 3 200.326 0.687 10 0 BCAEHO C[C@@H](O)C[N@H+](C)[C@@H]1CCNCC1(C)C ZINC000300811052 360517808 /nfs/dbraw/zinc/51/78/08/360517808.db2.gz HDCUBOFKCNOEEC-NXEZZACHSA-N 1 3 200.326 0.687 10 0 BCAEHO C[C@@H](O)C[N@@H+](C)[C@@H]1CCNCC1(C)C ZINC000300811052 360517814 /nfs/dbraw/zinc/51/78/14/360517814.db2.gz HDCUBOFKCNOEEC-NXEZZACHSA-N 1 3 200.326 0.687 10 0 BCAEHO CN[C@H](C)C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000167529882 364795909 /nfs/dbraw/zinc/79/59/09/364795909.db2.gz XFFAZMUCYDEWBM-IJLUTSLNSA-N 1 3 239.363 0.537 10 0 BCAEHO CN[C@H](C)C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000167529882 364795917 /nfs/dbraw/zinc/79/59/17/364795917.db2.gz XFFAZMUCYDEWBM-IJLUTSLNSA-N 1 3 239.363 0.537 10 0 BCAEHO N[C@@H](CCCC[NH3+])C(=O)N1Cc2ccccc2C1 ZINC000040423900 181378939 /nfs/dbraw/zinc/37/89/39/181378939.db2.gz NRUIYKIBILMTRY-ZDUSSCGKSA-N 1 3 247.342 0.985 10 0 BCAEHO CO[C@H](C)CN[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000580946576 367213322 /nfs/dbraw/zinc/21/33/22/367213322.db2.gz QDZBCHBVKJRBAG-OUAUKWLOSA-N 1 3 200.326 0.999 10 0 BCAEHO CCC[C@H](N)C(=O)N[C@@H]1CC[NH2+]C[C@@H]1C ZINC000381234727 367369443 /nfs/dbraw/zinc/36/94/43/367369443.db2.gz LQUGBHSHMCQIPW-LPEHRKFASA-N 1 3 213.325 0.228 10 0 BCAEHO CN(C)C(=O)CCNC[C@H]1CCC[NH2+]C1 ZINC000087646715 367949012 /nfs/dbraw/zinc/94/90/12/367949012.db2.gz SCGWHVZVTIXLIY-JTQLQIEISA-N 1 3 213.325 0.054 10 0 BCAEHO CN(C)C(=O)CC[NH2+]C[C@H]1CCCNC1 ZINC000087646715 367949020 /nfs/dbraw/zinc/94/90/20/367949020.db2.gz SCGWHVZVTIXLIY-JTQLQIEISA-N 1 3 213.325 0.054 10 0 BCAEHO O[C@@H]1COCC[C@@H]1N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000623766631 369030052 /nfs/dbraw/zinc/03/00/52/369030052.db2.gz JLUAMZFODFUSIP-MROQNXINSA-N 1 3 240.347 0.353 10 0 BCAEHO O[C@@H]1COCC[C@@H]1N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000623766631 369030061 /nfs/dbraw/zinc/03/00/61/369030061.db2.gz JLUAMZFODFUSIP-MROQNXINSA-N 1 3 240.347 0.353 10 0 BCAEHO C[C@H]1CN(CCCc2cncn2C)C[C@@H]1C[NH3+] ZINC000631836998 369091852 /nfs/dbraw/zinc/09/18/52/369091852.db2.gz LINQNLLGQDHIJF-RYUDHWBXSA-N 1 3 236.363 0.879 10 0 BCAEHO C[C@H]1C[N@H+](CCCc2cncn2C)C[C@@H]1CN ZINC000631836998 369091857 /nfs/dbraw/zinc/09/18/57/369091857.db2.gz LINQNLLGQDHIJF-RYUDHWBXSA-N 1 3 236.363 0.879 10 0 BCAEHO C[C@H]1C[N@@H+](CCCc2cncn2C)C[C@@H]1CN ZINC000631836998 369091861 /nfs/dbraw/zinc/09/18/61/369091861.db2.gz LINQNLLGQDHIJF-RYUDHWBXSA-N 1 3 236.363 0.879 10 0 BCAEHO C[C@@H]1C[NH+](C[C@@H](O)CN)C[C@@H](C)S1 ZINC000226669224 371719676 /nfs/dbraw/zinc/71/96/76/371719676.db2.gz SEHDKMXCHCXOED-HLTSFMKQSA-N 1 3 204.339 0.132 10 0 BCAEHO CC[C@H](C[NH3+])[C@@]1(O)CCN(C)[C@@H](C)C1 ZINC000226854945 371752354 /nfs/dbraw/zinc/75/23/54/371752354.db2.gz WELBDZNRTLDYSS-HBNTYKKESA-N 1 3 200.326 0.817 10 0 BCAEHO C[C@H]1SCC[N@H+](C[C@H](O)CN)[C@@H]1C ZINC000132332589 371793279 /nfs/dbraw/zinc/79/32/79/371793279.db2.gz QPAZHGXTIRVRKB-IWSPIJDZSA-N 1 3 204.339 0.132 10 0 BCAEHO C[C@H]1SCC[N@@H+](C[C@H](O)CN)[C@@H]1C ZINC000132332589 371793284 /nfs/dbraw/zinc/79/32/84/371793284.db2.gz QPAZHGXTIRVRKB-IWSPIJDZSA-N 1 3 204.339 0.132 10 0 BCAEHO C[C@H]1CN(CCc2cnn(C)c2)C[C@@H]1C[NH3+] ZINC000631837738 372629020 /nfs/dbraw/zinc/62/90/20/372629020.db2.gz DSMXOYCIZOHLEP-JQWIXIFHSA-N 1 3 222.336 0.489 10 0 BCAEHO CCOCCC[N@@H+]1C[C@H](C)[C@@H](CN)C1 ZINC000631839193 372633815 /nfs/dbraw/zinc/63/38/15/372633815.db2.gz BQOKTBCBSJQOAW-QWRGUYRKSA-N 1 3 200.326 0.940 10 0 BCAEHO CCOCCC[N@H+]1C[C@H](C)[C@@H](CN)C1 ZINC000631839193 372633821 /nfs/dbraw/zinc/63/38/21/372633821.db2.gz BQOKTBCBSJQOAW-QWRGUYRKSA-N 1 3 200.326 0.940 10 0 BCAEHO C[C@H]1CN(CCOCC2CC2)C[C@@H]1C[NH3+] ZINC000631839779 372634646 /nfs/dbraw/zinc/63/46/46/372634646.db2.gz KSGDMLNTHWHVQS-JQWIXIFHSA-N 1 3 212.337 0.940 10 0 BCAEHO CCN1CCC[C@H](NC2CC[NH2+]CC2)C1 ZINC000040503011 373360867 /nfs/dbraw/zinc/36/08/67/373360867.db2.gz HOOCJUHZYZCCOD-LBPRGKRZSA-N 1 3 211.353 0.812 10 0 BCAEHO C[C@@H]1CCC[C@@H](C[NH3+])N1CC(C)(C)O ZINC000069722912 373652326 /nfs/dbraw/zinc/65/23/26/373652326.db2.gz ODRGMKGGYRTEKX-ZJUUUORDSA-N 1 3 200.326 0.959 10 0 BCAEHO O=C(NCCN1CCCCCC1)[C@@H]1CC[NH2+]C1 ZINC000062115876 182185025 /nfs/dbraw/zinc/18/50/25/182185025.db2.gz BOQDPRWGBYWRDW-GFCCVEGCSA-N 1 3 239.363 0.588 10 0 BCAEHO OCCN(C[C@H]1CCC[NH2+]C1)C1CCC1 ZINC000228587477 183067514 /nfs/dbraw/zinc/06/75/14/183067514.db2.gz BPUVHTMQVXOYBO-NSHDSACASA-N 1 3 212.337 0.833 10 0 BCAEHO OCC[N@H+](C[C@H]1CCCNC1)C1CCC1 ZINC000228587477 183067517 /nfs/dbraw/zinc/06/75/17/183067517.db2.gz BPUVHTMQVXOYBO-NSHDSACASA-N 1 3 212.337 0.833 10 0 BCAEHO OCC[N@@H+](C[C@H]1CCCNC1)C1CCC1 ZINC000228587477 183067520 /nfs/dbraw/zinc/06/75/20/183067520.db2.gz BPUVHTMQVXOYBO-NSHDSACASA-N 1 3 212.337 0.833 10 0 BCAEHO OCCN(C[C@@H]1CCC[NH2+]C1)C1CCC1 ZINC000228587469 183067790 /nfs/dbraw/zinc/06/77/90/183067790.db2.gz BPUVHTMQVXOYBO-LLVKDONJSA-N 1 3 212.337 0.833 10 0 BCAEHO OCC[N@H+](C[C@@H]1CCCNC1)C1CCC1 ZINC000228587469 183067791 /nfs/dbraw/zinc/06/77/91/183067791.db2.gz BPUVHTMQVXOYBO-LLVKDONJSA-N 1 3 212.337 0.833 10 0 BCAEHO OCC[N@@H+](C[C@@H]1CCCNC1)C1CCC1 ZINC000228587469 183067793 /nfs/dbraw/zinc/06/77/93/183067793.db2.gz BPUVHTMQVXOYBO-LLVKDONJSA-N 1 3 212.337 0.833 10 0 BCAEHO O=c1cc(C[NH2+]CC2CC[NH2+]CC2)nc[n-]1 ZINC000045956790 183257171 /nfs/dbraw/zinc/25/71/71/183257171.db2.gz DIGLLFOIRGDDHG-UHFFFAOYSA-N 1 3 222.292 0.271 10 0 BCAEHO CCCN1CCC([NH2+][C@@H](C)C(=O)NC)CC1 ZINC000042220970 169189643 /nfs/dbraw/zinc/18/96/43/169189643.db2.gz LQJVYDFHWNPIEA-JTQLQIEISA-N 1 3 227.352 0.585 10 0 BCAEHO CCCN1CCN(CC[NH2+]CCOCC)CC1 ZINC000053344742 169203572 /nfs/dbraw/zinc/20/35/72/169203572.db2.gz KDWVRELAWGVJHC-UHFFFAOYSA-N 1 3 243.395 0.640 10 0 BCAEHO CCCN1CCN([C@H]2CCC[C@H]2[NH3+])CC1 ZINC000019257153 169204880 /nfs/dbraw/zinc/20/48/80/169204880.db2.gz SCGPOYLIOLTDRB-NEPJUHHUSA-N 1 3 211.353 0.894 10 0 BCAEHO CCCNC(=O)C[NH2+][C@H](C)[C@H]1CCCN(C)C1 ZINC000036780839 169229506 /nfs/dbraw/zinc/22/95/06/169229506.db2.gz YQVRNGPBLDZVFF-NEPJUHHUSA-N 1 3 241.379 0.833 10 0 BCAEHO CCCNC[C@@H](O)C[N@H+](C)CC1CCOCC1 ZINC000104194834 169262864 /nfs/dbraw/zinc/26/28/64/169262864.db2.gz IUIPJSZNDZGPSB-CYBMUJFWSA-N 1 3 244.379 0.705 10 0 BCAEHO CCCNC[C@@H](O)C[N@@H+](C)CC1CCOCC1 ZINC000104194834 169262866 /nfs/dbraw/zinc/26/28/66/169262866.db2.gz IUIPJSZNDZGPSB-CYBMUJFWSA-N 1 3 244.379 0.705 10 0 BCAEHO CCC[NH2+]CCCN1C[C@H](C(N)=O)CC[C@@H]1C ZINC000042438680 169257092 /nfs/dbraw/zinc/25/70/92/169257092.db2.gz UTITYLVBPDZEDF-NWDGAFQWSA-N 1 3 241.379 0.962 10 0 BCAEHO CCC[NH2+]C[C@@H](O)CN(C)CC1CCOCC1 ZINC000104194834 169262862 /nfs/dbraw/zinc/26/28/62/169262862.db2.gz IUIPJSZNDZGPSB-CYBMUJFWSA-N 1 3 244.379 0.705 10 0 BCAEHO CCC[C@@H](C)CN1CCN(CC[NH3+])CC1 ZINC000051297736 169358421 /nfs/dbraw/zinc/35/84/21/169358421.db2.gz FZMMNZZVGBZXLX-GFCCVEGCSA-N 1 3 213.369 0.999 10 0 BCAEHO CCC[C@@H](N)C(=O)N1CC[C@H](C[N@H+](C)CC)C1 ZINC000236911130 169387774 /nfs/dbraw/zinc/38/77/74/169387774.db2.gz SDNZCQQHRMPHDH-VXGBXAGGSA-N 1 3 241.379 0.914 10 0 BCAEHO CCC[C@@H](N)C(=O)N1CC[C@H](C[N@@H+](C)CC)C1 ZINC000236911130 169387776 /nfs/dbraw/zinc/38/77/76/169387776.db2.gz SDNZCQQHRMPHDH-VXGBXAGGSA-N 1 3 241.379 0.914 10 0 BCAEHO CCC[C@@H]([NH3+])C(=O)NCCN1CCCCC1 ZINC000049575502 169388925 /nfs/dbraw/zinc/38/89/25/169388925.db2.gz WHIKWJQDNGTQEM-LLVKDONJSA-N 1 3 227.352 0.716 10 0 BCAEHO CCC[C@@H]([NH3+])CN1CCN(CCN(C)C)CC1 ZINC000061643785 169392857 /nfs/dbraw/zinc/39/28/57/169392857.db2.gz QDQBAMRSFDOXDO-CYBMUJFWSA-N 1 3 242.411 0.293 10 0 BCAEHO CC(C)C[C@@H](C[NH+](C)C)NC(=O)CN ZINC000037001250 384466792 /nfs/dbraw/zinc/46/67/92/384466792.db2.gz NUSHIDWHSCTYHB-VIFPVBQESA-N 1 3 201.314 0.038 10 0 BCAEHO CC(C)[C@H](N)C(=O)N1CC[C@@]2(CC[C@@H]([NH3+])C2)C1 ZINC000100245808 384626436 /nfs/dbraw/zinc/62/64/36/384626436.db2.gz NBOXBFFCKZYLAM-NTZNESFSSA-N 1 3 239.363 0.700 10 0 BCAEHO CC(C)C[C@@H](CN[C@@H]1CC[NH2+]C1)N(C)C ZINC000086725761 384679609 /nfs/dbraw/zinc/67/96/09/384679609.db2.gz KLAWWFYAMSJFNR-NEPJUHHUSA-N 1 3 213.369 0.914 10 0 BCAEHO N[C@@H](CC(F)F)C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000335919106 384703561 /nfs/dbraw/zinc/70/35/61/384703561.db2.gz HJXJOSAXJQFDLF-IUCAKERBSA-N 1 3 247.289 0.276 10 0 BCAEHO N[C@@H](CC(F)F)C(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000335919106 384703568 /nfs/dbraw/zinc/70/35/68/384703568.db2.gz HJXJOSAXJQFDLF-IUCAKERBSA-N 1 3 247.289 0.276 10 0 BCAEHO CCN1CCC[C@@H]1CN(C)C(=O)[C@H]1CCC[NH2+]1 ZINC000157254087 385117442 /nfs/dbraw/zinc/11/74/42/385117442.db2.gz QIASJNSQOMGZHD-VXGBXAGGSA-N 1 3 239.363 0.681 10 0 BCAEHO CC(C)[C@@H](N)C(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000227454141 385143940 /nfs/dbraw/zinc/14/39/40/385143940.db2.gz BNWBCLOOZVWAIW-SDDRHHMPSA-N 1 3 239.363 0.665 10 0 BCAEHO CC(C)[C@@H](N)C(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC000227454141 385143943 /nfs/dbraw/zinc/14/39/43/385143943.db2.gz BNWBCLOOZVWAIW-SDDRHHMPSA-N 1 3 239.363 0.665 10 0 BCAEHO C[C@@H]1[C@@H]([NH3+])CCN1C(=O)C1CCN(C)CC1 ZINC000647044444 385180339 /nfs/dbraw/zinc/18/03/39/385180339.db2.gz CFQAIRPNMBBSCU-KOLCDFICSA-N 1 3 225.336 0.276 10 0 BCAEHO C[C@@H]1[C@H]([NH3+])CCN1C(=O)C1CCN(C)CC1 ZINC000647044445 385180375 /nfs/dbraw/zinc/18/03/75/385180375.db2.gz CFQAIRPNMBBSCU-MWLCHTKSSA-N 1 3 225.336 0.276 10 0 BCAEHO C[NH2+][C@H](C)C(=O)N1CCC[C@H]1CN(C)C ZINC000061645207 385742352 /nfs/dbraw/zinc/74/23/52/385742352.db2.gz XEQMVDPINSLPSQ-ZJUUUORDSA-N 1 3 213.325 0.147 10 0 BCAEHO C[C@H](N)C(C)(C)C[N@@H+]1C[C@@H](C)[C@H](O)C1 ZINC000306887988 386479430 /nfs/dbraw/zinc/47/94/30/386479430.db2.gz VIRONICAQQBTBP-KXUCPTDWSA-N 1 3 200.326 0.672 10 0 BCAEHO C[C@H](N)C(C)(C)C[N@H+]1C[C@@H](C)[C@H](O)C1 ZINC000306887988 386479432 /nfs/dbraw/zinc/47/94/32/386479432.db2.gz VIRONICAQQBTBP-KXUCPTDWSA-N 1 3 200.326 0.672 10 0 BCAEHO C[C@H]([NH3+])C(C)(C)CN1C[C@@H](C)[C@H](O)C1 ZINC000306887988 386479436 /nfs/dbraw/zinc/47/94/36/386479436.db2.gz VIRONICAQQBTBP-KXUCPTDWSA-N 1 3 200.326 0.672 10 0 BCAEHO CN(C)[C@@H]1CCN(C(=O)[C@@]2(C)CCC[NH2+]C2)C1 ZINC000062972067 386534525 /nfs/dbraw/zinc/53/45/25/386534525.db2.gz SOHGJRGLIIHJQL-YPMHNXCESA-N 1 3 239.363 0.539 10 0 BCAEHO CN(C)[C@@H]1CCN(C(=O)[C@@H]2CCC[NH2+]C2)C1 ZINC000062972181 386536373 /nfs/dbraw/zinc/53/63/73/386536373.db2.gz PRQITFHJMDSCLR-GHMZBOCLSA-N 1 3 225.336 0.149 10 0 BCAEHO CCC[C@](C)(N)C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000062972443 386536403 /nfs/dbraw/zinc/53/64/03/386536403.db2.gz SDJXCCYVRHQIHF-JQWIXIFHSA-N 1 3 227.352 0.666 10 0 BCAEHO C[C@@H]1CN(C)C[C@@H]1N[C@H]1CCC[NH2+][C@H]1C ZINC000423396611 387231238 /nfs/dbraw/zinc/23/12/38/387231238.db2.gz UIGVRVWJLONNLF-RHYQMDGZSA-N 1 3 211.353 0.667 10 0 BCAEHO CCCNC(=O)CCN[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000643454475 387384819 /nfs/dbraw/zinc/38/48/19/387384819.db2.gz BSRLEIUVIPIOHM-NWDGAFQWSA-N 1 3 241.379 0.880 10 0 BCAEHO CC[C@@H](C(=O)N1CC[C@H]([NH+](C)C)C1)N(C)C ZINC000162599780 387446103 /nfs/dbraw/zinc/44/61/03/387446103.db2.gz ZFYCNLHOUFHZCT-QWRGUYRKSA-N 1 3 227.352 0.489 10 0 BCAEHO CN(C)C[C@@H]1CCCN1C(=O)[C@@H]1CC[NH2+]C1 ZINC000062116978 387850638 /nfs/dbraw/zinc/85/06/38/387850638.db2.gz WMTZBYKIIAEXKB-MNOVXSKESA-N 1 3 225.336 0.149 10 0 BCAEHO CC[NH+](CC)[C@H](C)CNC(=O)[C@@H](N)C(C)C ZINC000236866931 388384967 /nfs/dbraw/zinc/38/49/67/388384967.db2.gz IITDHRKKDYKUEF-MNOVXSKESA-N 1 3 229.368 0.816 10 0 BCAEHO C[C@@H](NCCN1CCCC1)[C@H]1CC[NH2+]C1 ZINC000400345640 533395288 /nfs/dbraw/zinc/39/52/88/533395288.db2.gz ITKOMPIOWDFHQS-NEPJUHHUSA-N 1 3 211.353 0.670 10 0 BCAEHO C[C@@H](CCC[NH3+])N1CCN(c2ncccn2)CC1 ZINC000052418490 132362272 /nfs/dbraw/zinc/36/22/72/132362272.db2.gz DTAKBOQWQPPYLD-LBPRGKRZSA-N 1 3 249.362 0.726 10 0 BCAEHO C[C@H](O)CC[NH2+][C@H]1CCCC[C@H]1CN ZINC000251212352 135065990 /nfs/dbraw/zinc/06/59/90/135065990.db2.gz MRFLDEWKKQTHPS-DCAQKATOSA-N 1 3 200.326 0.864 10 0 BCAEHO C[C@@H]1CN(C[C@H]2CCC[NH2+]C2)CC[C@@H]1O ZINC000253195497 135124042 /nfs/dbraw/zinc/12/40/42/135124042.db2.gz QFPXZSZWQIAVIC-WOPDTQHZSA-N 1 3 212.337 0.689 10 0 BCAEHO C[C@@H]1C[N@H+](C[C@H]2CCCNC2)CC[C@@H]1O ZINC000253195497 135124044 /nfs/dbraw/zinc/12/40/44/135124044.db2.gz QFPXZSZWQIAVIC-WOPDTQHZSA-N 1 3 212.337 0.689 10 0 BCAEHO C[C@@H]1C[N@@H+](C[C@H]2CCCNC2)CC[C@@H]1O ZINC000253195497 135124046 /nfs/dbraw/zinc/12/40/46/135124046.db2.gz QFPXZSZWQIAVIC-WOPDTQHZSA-N 1 3 212.337 0.689 10 0 BCAEHO C[C@@H]1[C@H](CO)CCN1C[C@@]1(C)CC[NH2+]C1 ZINC000261545724 135150146 /nfs/dbraw/zinc/15/01/46/135150146.db2.gz KFDXJIKIGBWLPL-WOPDTQHZSA-N 1 3 212.337 0.689 10 0 BCAEHO CN(CC1CC(O)C1)C[C@@]1(C)CC[NH2+]C1 ZINC000261541680 135181876 /nfs/dbraw/zinc/18/18/76/135181876.db2.gz GAWPHSNRDLVHAU-MCIGGMRASA-N 1 3 212.337 0.689 10 0 BCAEHO CC[C@@H]1CC[C@H](NC[C@H]2C[NH2+]C[C@@H]2O)C1 ZINC000261549505 135188122 /nfs/dbraw/zinc/18/81/22/135188122.db2.gz ORYJVBVGLNCJAG-WYUUTHIRSA-N 1 3 212.337 0.735 10 0 BCAEHO CC[C@@H]1CC[C@H]([NH2+]C[C@H]2CNC[C@@H]2O)C1 ZINC000261549505 135188124 /nfs/dbraw/zinc/18/81/24/135188124.db2.gz ORYJVBVGLNCJAG-WYUUTHIRSA-N 1 3 212.337 0.735 10 0 BCAEHO [NH3+][C@@H]1CCCC[C@H]1CC(=O)N1CCCNCC1 ZINC000261549869 135188555 /nfs/dbraw/zinc/18/85/55/135188555.db2.gz KVEVPQIQZCHHNX-NWDGAFQWSA-N 1 3 239.363 0.716 10 0 BCAEHO Cn1cc(CCN2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)cn1 ZINC000261550228 135189141 /nfs/dbraw/zinc/18/91/41/135189141.db2.gz LANMXQHOQSIPSJ-XQQFMLRXSA-N 1 3 234.347 0.632 10 0 BCAEHO [NH3+][C@@H]1CCCC[C@@H]1CC(=O)N1CCCNCC1 ZINC000261549871 135189443 /nfs/dbraw/zinc/18/94/43/135189443.db2.gz KVEVPQIQZCHHNX-VXGBXAGGSA-N 1 3 239.363 0.716 10 0 BCAEHO CC1(C)CC[C@H](NC[C@H]2C[NH2+]C[C@H]2O)C1 ZINC000261552630 135192157 /nfs/dbraw/zinc/19/21/57/135192157.db2.gz RPVXMTMQMQLGPN-OUAUKWLOSA-N 1 3 212.337 0.735 10 0 BCAEHO CC1(C)CC[C@H]([NH2+]C[C@H]2CNC[C@H]2O)C1 ZINC000261552630 135192159 /nfs/dbraw/zinc/19/21/59/135192159.db2.gz RPVXMTMQMQLGPN-OUAUKWLOSA-N 1 3 212.337 0.735 10 0 BCAEHO CCC[C@H]([NH3+])C(=O)N1CCN[C@H](C)[C@@H]1C ZINC000261554499 135194714 /nfs/dbraw/zinc/19/47/14/135194714.db2.gz UHKVXWBENFWRRX-UTLUCORTSA-N 1 3 213.325 0.323 10 0 BCAEHO C[C@@H]1CCCC[C@@H]1[NH2+]C[C@H]1CNC[C@H]1O ZINC000261557320 135197778 /nfs/dbraw/zinc/19/77/78/135197778.db2.gz XEZCZCDSEGZZFV-WISYIIOYSA-N 1 3 212.337 0.735 10 0 BCAEHO C[C@@H]1[C@@H](CO)CC[N@@H+]1C[C@@H]1CCCNC1 ZINC000261557541 135198137 /nfs/dbraw/zinc/19/81/37/135198137.db2.gz XJFXXGJMZSPKPE-IJLUTSLNSA-N 1 3 212.337 0.689 10 0 BCAEHO C[C@@H]1[C@@H](CO)CC[N@H+]1C[C@@H]1CCCNC1 ZINC000261557541 135198138 /nfs/dbraw/zinc/19/81/38/135198138.db2.gz XJFXXGJMZSPKPE-IJLUTSLNSA-N 1 3 212.337 0.689 10 0 BCAEHO C[C@@H]1[C@@H]([NH3+])CCN1C(=O)[C@H]1CCCCN1 ZINC000261562322 135203861 /nfs/dbraw/zinc/20/38/61/135203861.db2.gz BFNXYOQBTDZJRA-KXUCPTDWSA-N 1 3 211.309 0.077 10 0 BCAEHO CCC[C@H](N)C(=O)NCC([NH3+])(CC)CC ZINC000261566454 135208455 /nfs/dbraw/zinc/20/84/55/135208455.db2.gz DPIJEZTYLOSJHK-VIFPVBQESA-N 1 3 215.341 0.748 10 0 BCAEHO C[C@@H]1[C@H]([NH3+])CCN1C(=O)[C@@H](N)C(C)(C)C ZINC000261571648 135213966 /nfs/dbraw/zinc/21/39/66/135213966.db2.gz HQSXQYIGQFGBNF-IWSPIJDZSA-N 1 3 213.325 0.308 10 0 BCAEHO CC(C)[C@H](N)C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000261577862 135219108 /nfs/dbraw/zinc/21/91/08/135219108.db2.gz LLUCYAZBLMSMTL-ZJUUUORDSA-N 1 3 213.325 0.228 10 0 BCAEHO COC(=O)[C@@H]1CCN(C[C@H]2CCC[NH2+]C2)[C@@H]1C ZINC000261638355 135242647 /nfs/dbraw/zinc/24/26/47/135242647.db2.gz DBBFOCAQQUYQBK-GRYCIOLGSA-N 1 3 240.347 0.869 10 0 BCAEHO COC(=O)[C@@H]1CC[N@H+](C[C@H]2CCCNC2)[C@@H]1C ZINC000261638355 135242648 /nfs/dbraw/zinc/24/26/48/135242648.db2.gz DBBFOCAQQUYQBK-GRYCIOLGSA-N 1 3 240.347 0.869 10 0 BCAEHO COC(=O)[C@@H]1CC[N@@H+](C[C@H]2CCCNC2)[C@@H]1C ZINC000261638355 135242649 /nfs/dbraw/zinc/24/26/49/135242649.db2.gz DBBFOCAQQUYQBK-GRYCIOLGSA-N 1 3 240.347 0.869 10 0 BCAEHO C[C@]1(CN2C[C@@H]3CC[C@@H](O)[C@H]3C2)CC[NH2+]C1 ZINC000261712957 135247517 /nfs/dbraw/zinc/24/75/17/135247517.db2.gz DWLFDSKMNVTPJT-RVMXOQNASA-N 1 3 224.348 0.689 10 0 BCAEHO CN(C)[C@@H]1CCCN(C(=O)[C@@H]2CC[NH2+]C2)C1 ZINC000084419993 135248613 /nfs/dbraw/zinc/24/86/13/135248613.db2.gz CJLINAHIVWRNNM-GHMZBOCLSA-N 1 3 225.336 0.149 10 0 BCAEHO CN(C)[C@@H]1CCCN(C(=O)[C@H]2CC[NH2+]C2)C1 ZINC000084419999 135248719 /nfs/dbraw/zinc/24/87/19/135248719.db2.gz CJLINAHIVWRNNM-WDEREUQCSA-N 1 3 225.336 0.149 10 0 BCAEHO CC(C)N(C)CC(=O)N1CC[C@@H](C)C[C@@H]1C[NH3+] ZINC000261919918 135262420 /nfs/dbraw/zinc/26/24/20/135262420.db2.gz YSKBTRXAVGQSMV-VXGBXAGGSA-N 1 3 241.379 0.912 10 0 BCAEHO CC(C)(C)[C@H](N)C(=O)N[C@H]1CCC[C@H]1C[NH3+] ZINC000262562630 135306174 /nfs/dbraw/zinc/30/61/74/135306174.db2.gz AIMUKEUQXOERLN-LPEHRKFASA-N 1 3 227.352 0.603 10 0 BCAEHO CC(C)(C)[C@H](N)C(=O)N[C@@H]1CCC[C@H]1C[NH3+] ZINC000262562628 135306502 /nfs/dbraw/zinc/30/65/02/135306502.db2.gz AIMUKEUQXOERLN-IVZWLZJFSA-N 1 3 227.352 0.603 10 0 BCAEHO CC(C)C[C@H](N)C(=O)N[C@H]1CCC[C@@H]1C[NH3+] ZINC000262615740 135309007 /nfs/dbraw/zinc/30/90/07/135309007.db2.gz GQSHZRQGUHLHCF-VWYCJHECSA-N 1 3 227.352 0.603 10 0 BCAEHO CC1CCC(CNC[C@H]2C[NH2+]C[C@@H]2O)CC1 ZINC000263107108 135333251 /nfs/dbraw/zinc/33/32/51/135333251.db2.gz AAHLXXABQJKXAO-TYUFSLCMSA-N 1 3 226.364 0.983 10 0 BCAEHO CC1CCC(C[NH2+]C[C@H]2CNC[C@@H]2O)CC1 ZINC000263107108 135333252 /nfs/dbraw/zinc/33/32/52/135333252.db2.gz AAHLXXABQJKXAO-TYUFSLCMSA-N 1 3 226.364 0.983 10 0 BCAEHO C[C@@H]1CC[C@H](NC[C@@H]2C[NH2+]C[C@H]2O)C[C@H]1C ZINC000263154555 135336230 /nfs/dbraw/zinc/33/62/30/135336230.db2.gz DGNVAAJTQMFVKB-NAWOPXAZSA-N 1 3 226.364 0.981 10 0 BCAEHO C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CNC[C@H]2O)C[C@H]1C ZINC000263154555 135336231 /nfs/dbraw/zinc/33/62/31/135336231.db2.gz DGNVAAJTQMFVKB-NAWOPXAZSA-N 1 3 226.364 0.981 10 0 BCAEHO O[C@@H]1C[NH2+]C[C@@H]1CN[C@@H]1CCc2ccccc2C1 ZINC000263207352 135339672 /nfs/dbraw/zinc/33/96/72/135339672.db2.gz JXEWBWUFQUMXDU-RBSFLKMASA-N 1 3 246.354 0.714 10 0 BCAEHO O[C@@H]1CNC[C@@H]1C[NH2+][C@H]1CCC[C@@H]1C1CC1 ZINC000263239823 135341764 /nfs/dbraw/zinc/34/17/64/135341764.db2.gz OKHPVLBSUWXGIL-FVCCEPFGSA-N 1 3 224.348 0.735 10 0 BCAEHO CC[C@@H]1CCCCN1CCNC(=O)C1C[NH2+]C1 ZINC000263331710 135347118 /nfs/dbraw/zinc/34/71/18/135347118.db2.gz VCGGZYHMPFKREF-GFCCVEGCSA-N 1 3 239.363 0.587 10 0 BCAEHO CCC[C@](C)(N)C(=O)NC[C@@H](C)[NH2+]C ZINC000389634897 397986752 /nfs/dbraw/zinc/98/67/52/397986752.db2.gz NTBPGTVTNCVDTF-SCZZXKLOSA-N 1 3 201.314 0.228 10 0 BCAEHO CCN1CC[C@H](NC[C@@H](O)C[NH+]2CCCC2)C1 ZINC000389214691 398050894 /nfs/dbraw/zinc/05/08/94/398050894.db2.gz CMAJTGCAMHDQQW-QWHCGFSZSA-N 1 3 241.379 0.127 10 0 BCAEHO CC[C@@H](C)[C@@H](N)C(=O)N1CCC([NH3+])CC1 ZINC000236942774 398118369 /nfs/dbraw/zinc/11/83/69/398118369.db2.gz LFAJIWLXTMWGCI-PSASIEDQSA-N 1 3 213.325 0.310 10 0 BCAEHO C[NH2+]C[C@@H](O)CN1C[C@H](C)C[C@H](C)C1 ZINC000019864003 173365148 /nfs/dbraw/zinc/36/51/48/173365148.db2.gz BWMLPYLXZUKYTN-OUAUKWLOSA-N 1 3 200.326 0.545 10 0 BCAEHO CC(C)NC(=O)C[NH2+][C@@H](C)[C@@H]1CCCN(C)C1 ZINC000036781495 167058953 /nfs/dbraw/zinc/05/89/53/167058953.db2.gz BJJFANGMLXAJSD-NWDGAFQWSA-N 1 3 241.379 0.831 10 0 BCAEHO CC(C)[NH2+]C[C@H](O)CN1CCN(C(C)C)CC1 ZINC000036170860 167115756 /nfs/dbraw/zinc/11/57/56/167115756.db2.gz DTIPLEXODLPEFA-ZDUSSCGKSA-N 1 3 243.395 0.371 10 0 BCAEHO C[N@H+](C[C@@H](O)CNC[C@@H](O)C(C)(C)C)C1CC1 ZINC000324238153 487562408 /nfs/dbraw/zinc/56/24/08/487562408.db2.gz AKLREDSGRMPJAL-NWDGAFQWSA-N 1 3 244.379 0.438 10 0 BCAEHO C[N@@H+](C[C@@H](O)CNC[C@@H](O)C(C)(C)C)C1CC1 ZINC000324238153 487562413 /nfs/dbraw/zinc/56/24/13/487562413.db2.gz AKLREDSGRMPJAL-NWDGAFQWSA-N 1 3 244.379 0.438 10 0 BCAEHO CC(C)[C@H]([NH3+])CC(=O)NC1CCN(C)CC1 ZINC000128906794 410365913 /nfs/dbraw/zinc/36/59/13/410365913.db2.gz NANUALHPRAQFBZ-LLVKDONJSA-N 1 3 227.352 0.570 10 0 BCAEHO CC(C)([NH3+])CCC(=O)N1CCN2CCC[C@H]2C1 ZINC000070087630 410590535 /nfs/dbraw/zinc/59/05/35/410590535.db2.gz NOEXXXQZQZASFR-NSHDSACASA-N 1 3 239.363 0.811 10 0 BCAEHO CC(C)NC(=O)CN(C)CCC[C@H]1CCC[NH2+]1 ZINC000052764527 167048707 /nfs/dbraw/zinc/04/87/07/167048707.db2.gz HEFIIMDTPQSXSC-GFCCVEGCSA-N 1 3 241.379 0.975 10 0 BCAEHO CC(C)[NH2+]C[C@@H](O)CN1CCN(C(C)C)CC1 ZINC000036170861 167112230 /nfs/dbraw/zinc/11/22/30/167112230.db2.gz DTIPLEXODLPEFA-CYBMUJFWSA-N 1 3 243.395 0.371 10 0 BCAEHO CC(C)[C@@H](CN(C)C)NC(=O)C[C@H]1CCC[NH2+]1 ZINC000049220453 167394905 /nfs/dbraw/zinc/39/49/05/167394905.db2.gz WKNCWIKVCBQXIM-VXGBXAGGSA-N 1 3 241.379 0.831 10 0 BCAEHO C[C@H](CC1CCC1)NC[C@H]1C[NH2+]C[C@@H]1O ZINC000310002526 411194499 /nfs/dbraw/zinc/19/44/99/411194499.db2.gz FIOPWGJPLQXIMS-JLLWLGSASA-N 1 3 212.337 0.735 10 0 BCAEHO C[C@H](CC1CCC1)[NH2+]C[C@H]1CNC[C@@H]1O ZINC000310002526 411194501 /nfs/dbraw/zinc/19/45/01/411194501.db2.gz FIOPWGJPLQXIMS-JLLWLGSASA-N 1 3 212.337 0.735 10 0 BCAEHO C[C@@H]([NH2+][C@@H]1CCNC1=O)C1CCN(C)CC1 ZINC000658052325 411219622 /nfs/dbraw/zinc/21/96/22/411219622.db2.gz BYALAOCOTZKZGD-MWLCHTKSSA-N 1 3 225.336 0.195 10 0 BCAEHO CN(C)[C@@H]1CCN(C(=O)CC[C@@H]2CCC[NH2+]2)C1 ZINC000310544789 411240317 /nfs/dbraw/zinc/24/03/17/411240317.db2.gz DGQBZWDOAOFPAF-NWDGAFQWSA-N 1 3 239.363 0.681 10 0 BCAEHO CCNC(=O)N(C1C[NH2+]C1)C1CCN(C)CC1 ZINC000169676529 170071658 /nfs/dbraw/zinc/07/16/58/170071658.db2.gz USZULQJQFOPOEK-UHFFFAOYSA-N 1 3 240.351 0.084 10 0 BCAEHO CC[NH2+]CCC(=O)N1CCN2CCC[C@@H]2C1 ZINC000061295342 170111737 /nfs/dbraw/zinc/11/17/37/170111737.db2.gz UEBOKZSEAWDJAJ-LLVKDONJSA-N 1 3 225.336 0.293 10 0 BCAEHO CC[NH2+]C[C@@H](C)C(=O)NCCN1CCCCC1 ZINC000061267816 170119162 /nfs/dbraw/zinc/11/91/62/170119162.db2.gz LIFOYAMJURXJQT-GFCCVEGCSA-N 1 3 241.379 0.834 10 0 BCAEHO CC[NH2+][C@@H]1CCN(C2CCN(C)CC2)C1 ZINC000037267472 170151536 /nfs/dbraw/zinc/15/15/36/170151536.db2.gz RJEZFXBSCKCNSO-LLVKDONJSA-N 1 3 211.353 0.764 10 0 BCAEHO CC[NH2+][C@@H]1CCN([C@H]2CCCN(CC)C2)C1=O ZINC000049649196 170152891 /nfs/dbraw/zinc/15/28/91/170152891.db2.gz JJPRQPAQEHAEGV-NWDGAFQWSA-N 1 3 239.363 0.681 10 0 BCAEHO CC[NH2+][C@H](C)CC(=O)NC[C@@H]1CCCN(C)C1 ZINC000061274360 170156791 /nfs/dbraw/zinc/15/67/91/170156791.db2.gz APWXAVIZYXHQER-NEPJUHHUSA-N 1 3 241.379 0.833 10 0 BCAEHO CCOC(=O)N1CCCN(CCCC[NH3+])CC1 ZINC000037039351 170239022 /nfs/dbraw/zinc/23/90/22/170239022.db2.gz MOAYXTLSTDDUEF-UHFFFAOYSA-N 1 3 243.351 0.890 10 0 BCAEHO CC[C@@H]1COCCN1[C@]1(CN)CC[N@H+](C)C1 ZINC000061990318 171108673 /nfs/dbraw/zinc/10/86/73/171108673.db2.gz KPIUTEXHVLXBMH-NEPJUHHUSA-N 1 3 227.352 0.130 10 0 BCAEHO CC[C@@H]1COCCN1[C@]1(CN)CC[N@@H+](C)C1 ZINC000061990318 171108675 /nfs/dbraw/zinc/10/86/75/171108675.db2.gz KPIUTEXHVLXBMH-NEPJUHHUSA-N 1 3 227.352 0.130 10 0 BCAEHO CC[C@H](C)[NH2+]CC(=O)N1CCC[C@H]1CN(C)C ZINC000061645192 171339337 /nfs/dbraw/zinc/33/93/37/171339337.db2.gz ATBLORGVPLHMFZ-RYUDHWBXSA-N 1 3 241.379 0.927 10 0 BCAEHO CC[C@H](C)[NH2+]CC(=O)NCCN1CCCCC1 ZINC000049575512 171339894 /nfs/dbraw/zinc/33/98/94/171339894.db2.gz CTYYLGHQDVKEKQ-LBPRGKRZSA-N 1 3 241.379 0.977 10 0 BCAEHO CC[C@H](C)[C@H](N)C(=O)N[C@@H](C)C[NH+]1CCCC1 ZINC000049184724 171396014 /nfs/dbraw/zinc/39/60/14/171396014.db2.gz FKNDEHSOFQIAPD-SRVKXCTJSA-N 1 3 241.379 0.960 10 0 BCAEHO C[C@H](NCCO[C@@H]1CC1(F)F)[C@@H]1CC[NH2+]C1 ZINC000665244429 412189660 /nfs/dbraw/zinc/18/96/60/412189660.db2.gz MWEUFPWYEANXDM-IVZWLZJFSA-N 1 3 234.290 0.998 10 0 BCAEHO C[C@H](NCCO[C@H]1CC1(F)F)[C@H]1CC[NH2+]C1 ZINC000665244428 412189710 /nfs/dbraw/zinc/18/97/10/412189710.db2.gz MWEUFPWYEANXDM-GUBZILKMSA-N 1 3 234.290 0.998 10 0 BCAEHO CC[C@@H]([NH2+]C)C(=O)N(C)C[C@@H]1CCCN1CC ZINC000662486346 412190945 /nfs/dbraw/zinc/19/09/45/412190945.db2.gz AMSUUHUGLQHQMG-NWDGAFQWSA-N 1 3 241.379 0.927 10 0 BCAEHO OC[C@@H]([NH2+][C@H]1CCCNCC1)C1CCC1 ZINC000665235737 412173555 /nfs/dbraw/zinc/17/35/55/412173555.db2.gz ZDFCPDVCGKFBAL-NWDGAFQWSA-N 1 3 212.337 0.879 10 0 BCAEHO OC[C@@H](N[C@H]1CCC[NH2+]CC1)C1CCC1 ZINC000665235737 412173559 /nfs/dbraw/zinc/17/35/59/412173559.db2.gz ZDFCPDVCGKFBAL-NWDGAFQWSA-N 1 3 212.337 0.879 10 0 BCAEHO C[C@@H](N[C@@H]1CCCC[C@H]1O)[C@@H]1CC[NH2+]C1 ZINC000665234901 412174993 /nfs/dbraw/zinc/17/49/93/412174993.db2.gz LWHGJEQWUQDSSM-DDHJBXDOSA-N 1 3 212.337 0.878 10 0 BCAEHO CN1CCCC[C@H]1CNC1CC[NH2+]CC1 ZINC000044560641 173010306 /nfs/dbraw/zinc/01/03/06/173010306.db2.gz XDWZUNRQQOAGMO-LBPRGKRZSA-N 1 3 211.353 0.812 10 0 BCAEHO CN1CCCN([C@@H]2CCCC[C@@H]2[NH3+])CC1 ZINC000020260489 173015973 /nfs/dbraw/zinc/01/59/73/173015973.db2.gz HMFYFNJAOGYJKA-NWDGAFQWSA-N 1 3 211.353 0.894 10 0 BCAEHO C[N@@H+]1CCCN(Cc2ccc(CN)o2)CC1 ZINC000052424209 173016963 /nfs/dbraw/zinc/01/69/63/173016963.db2.gz XSKYMWXBYSQDTL-UHFFFAOYSA-N 1 3 223.320 0.876 10 0 BCAEHO C[N@H+]1CCCN(Cc2ccc(CN)o2)CC1 ZINC000052424209 173016964 /nfs/dbraw/zinc/01/69/64/173016964.db2.gz XSKYMWXBYSQDTL-UHFFFAOYSA-N 1 3 223.320 0.876 10 0 BCAEHO CN1CCC[C@H](C[NH2+]C2CCNCC2)C1 ZINC000044532520 173041718 /nfs/dbraw/zinc/04/17/18/173041718.db2.gz MSXLQEDRBUKCOB-LLVKDONJSA-N 1 3 211.353 0.670 10 0 BCAEHO CN1CCC[C@H](NC(=O)C[C@@H]2CCC[NH2+]C2)C1 ZINC000054291126 173044152 /nfs/dbraw/zinc/04/41/52/173044152.db2.gz MMGHLOMIDDJUKY-RYUDHWBXSA-N 1 3 239.363 0.587 10 0 BCAEHO CN1CCN(C[C@]2(C[NH3+])CCOC2)CC1(C)C ZINC000104140243 173085517 /nfs/dbraw/zinc/08/55/17/173085517.db2.gz VABFCWRHKYPQME-CYBMUJFWSA-N 1 3 241.379 0.378 10 0 BCAEHO CN(Cc1ccoc1)[C@]1(CN)CC[N@H+](C)C1 ZINC000061990452 173134900 /nfs/dbraw/zinc/13/49/00/173134900.db2.gz QVCGFYLKZVOFLI-LBPRGKRZSA-N 1 3 223.320 0.744 10 0 BCAEHO CN(Cc1ccoc1)[C@]1(CN)CC[N@@H+](C)C1 ZINC000061990452 173134901 /nfs/dbraw/zinc/13/49/01/173134901.db2.gz QVCGFYLKZVOFLI-LBPRGKRZSA-N 1 3 223.320 0.744 10 0 BCAEHO CN(C1CCCC1)[C@]1(C[NH3+])CCN(C)C1 ZINC000061990178 173137100 /nfs/dbraw/zinc/13/71/00/173137100.db2.gz GTVBZKBSICTFDH-LBPRGKRZSA-N 1 3 211.353 0.894 10 0 BCAEHO CN1CC[C@H](NC(=O)C2CCC([NH3+])CC2)C1 ZINC000042549076 173150597 /nfs/dbraw/zinc/15/05/97/173150597.db2.gz QGHIIJVOTFPRAH-ILDUYXDCSA-N 1 3 225.336 0.324 10 0 BCAEHO CNC(=O)[C@@H](C)[NH2+][C@H](C)C1CCN(C)CC1 ZINC000042561281 173295585 /nfs/dbraw/zinc/29/55/85/173295585.db2.gz RNUCBBRETMFXMT-NXEZZACHSA-N 1 3 227.352 0.441 10 0 BCAEHO CNC(C)(C)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000061300863 173318382 /nfs/dbraw/zinc/31/83/82/173318382.db2.gz GXWSLIRNPYJSFU-WDEREUQCSA-N 1 3 239.363 0.727 10 0 BCAEHO CNC(C)(C)C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000061300863 173318383 /nfs/dbraw/zinc/31/83/83/173318383.db2.gz GXWSLIRNPYJSFU-WDEREUQCSA-N 1 3 239.363 0.727 10 0 BCAEHO CNCC(=O)NCC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000038019365 173329478 /nfs/dbraw/zinc/32/94/78/173329478.db2.gz FSFNORFTJWIXMS-FGWVZKOKSA-N 1 3 225.336 0.195 10 0 BCAEHO CNCC(=O)NCC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000038019365 173329479 /nfs/dbraw/zinc/32/94/79/173329479.db2.gz FSFNORFTJWIXMS-FGWVZKOKSA-N 1 3 225.336 0.195 10 0 BCAEHO COCCCNCC1C(=O)[O+]=NN1C(C)C ZINC000083250977 174247161 /nfs/dbraw/zinc/24/71/61/174247161.db2.gz ARLPDIVFJOHBNJ-UHFFFAOYSA-O 1 3 230.288 0.375 10 0 BCAEHO COCC[NH2+]CCN1CCN(CC2CC2)CC1 ZINC000053342831 174332105 /nfs/dbraw/zinc/33/21/05/174332105.db2.gz BJEVAVSLGASLNA-UHFFFAOYSA-N 1 3 241.379 0.250 10 0 BCAEHO CC(C)[C@@H]([NH3+])CC(=O)NC[C@H]1CCCN1C ZINC000225813590 487629773 /nfs/dbraw/zinc/62/97/73/487629773.db2.gz BNLPHFAWFRSSFM-MNOVXSKESA-N 1 3 227.352 0.570 10 0 BCAEHO C[C@@H]1CCC[NH2+][C@@H]1C(=O)N1CC[C@H](N(C)C)C1 ZINC000104182450 176111607 /nfs/dbraw/zinc/11/16/07/176111607.db2.gz UBHFJYWDXFEMCZ-WOPDTQHZSA-N 1 3 239.363 0.537 10 0 BCAEHO C[C@@H]1CC[N@@H+](C2CCN(C)CC2)CCN1 ZINC000049661915 176167467 /nfs/dbraw/zinc/16/74/67/176167467.db2.gz AOMNDEIZWJPSTG-LLVKDONJSA-N 1 3 211.353 0.764 10 0 BCAEHO C[C@@H]1CC[N@H+](C2CCN(C)CC2)CCN1 ZINC000049661915 176167469 /nfs/dbraw/zinc/16/74/69/176167469.db2.gz AOMNDEIZWJPSTG-LLVKDONJSA-N 1 3 211.353 0.764 10 0 BCAEHO C[C@@H]1CCN(C2CCN(C)CC2)CC[NH2+]1 ZINC000049661915 176167471 /nfs/dbraw/zinc/16/74/71/176167471.db2.gz AOMNDEIZWJPSTG-LLVKDONJSA-N 1 3 211.353 0.764 10 0 BCAEHO C[C@@H]1CC[NH2+][C@H](C(=O)N2CC[C@@H](N(C)C)C2)C1 ZINC000229254009 176187513 /nfs/dbraw/zinc/18/75/13/176187513.db2.gz MVDOVQDIXOGFIL-UTUOFQBUSA-N 1 3 239.363 0.537 10 0 BCAEHO C[C@@H]1CC[C@@H](C(N)=O)C[N@@H+]1C1CCNCC1 ZINC000043501188 176196934 /nfs/dbraw/zinc/19/69/34/176196934.db2.gz VCBMVCQADTWEJS-NXEZZACHSA-N 1 3 225.336 0.324 10 0 BCAEHO C[C@@H]1CC[C@@H](C(N)=O)C[N@H+]1C1CCNCC1 ZINC000043501188 176196936 /nfs/dbraw/zinc/19/69/36/176196936.db2.gz VCBMVCQADTWEJS-NXEZZACHSA-N 1 3 225.336 0.324 10 0 BCAEHO C[C@@H]1CC[C@@H](C(N)=O)CN1C1CC[NH2+]CC1 ZINC000043501188 176196937 /nfs/dbraw/zinc/19/69/37/176196937.db2.gz VCBMVCQADTWEJS-NXEZZACHSA-N 1 3 225.336 0.324 10 0 BCAEHO C[C@H](CNC(=O)[C@H]1CC[C@@H](C)[C@@H]([NH3+])C1)N(C)C ZINC000055135840 176220895 /nfs/dbraw/zinc/22/08/95/176220895.db2.gz WJSUOEYXXVEBSA-WYUUTHIRSA-N 1 3 241.379 0.816 10 0 BCAEHO C[C@@H]1C[N@@H+](C2CCN(C)CC2)[C@H](C)CN1 ZINC000062570454 176283577 /nfs/dbraw/zinc/28/35/77/176283577.db2.gz ZPHBMNSODBXYHJ-GHMZBOCLSA-N 1 3 211.353 0.763 10 0 BCAEHO C[C@@H]1C[N@H+](C2CCN(C)CC2)[C@H](C)CN1 ZINC000062570454 176283578 /nfs/dbraw/zinc/28/35/78/176283578.db2.gz ZPHBMNSODBXYHJ-GHMZBOCLSA-N 1 3 211.353 0.763 10 0 BCAEHO C[C@H](CN1CCCC1)NC(=O)C[C@@H]1CCC[NH2+]1 ZINC000049184743 176664626 /nfs/dbraw/zinc/66/46/26/176664626.db2.gz SHQHBGRPKNKMQO-NEPJUHHUSA-N 1 3 239.363 0.729 10 0 BCAEHO C[C@H]1CC[C@@H](C(=O)NCCN(C)C)C[NH2+]1 ZINC000019515170 177181155 /nfs/dbraw/zinc/18/11/55/177181155.db2.gz KYHDOFFPMCBGQM-VHSXEESVSA-N 1 3 213.325 0.052 10 0 BCAEHO C[C@H]1CC[C@@H](C(=O)NCCN2CCCC2)C[NH2+]1 ZINC000054134671 177181306 /nfs/dbraw/zinc/18/13/06/177181306.db2.gz AZUFJRBUGMYFLB-NWDGAFQWSA-N 1 3 239.363 0.587 10 0 BCAEHO C[C@@H]1CN(CC2(O)CC[NH2+]CC2)C[C@H](C)O1 ZINC000051015880 177244582 /nfs/dbraw/zinc/24/45/82/177244582.db2.gz BYZPPEGPPULBTF-PHIMTYICSA-N 1 3 228.336 0.210 10 0 BCAEHO C[C@H]1C[NH2+]CCN([C@@H]2CCCN(C)C2)C1 ZINC000049662310 177282793 /nfs/dbraw/zinc/28/27/93/177282793.db2.gz LELDRSYUOBNAIU-NWDGAFQWSA-N 1 3 211.353 0.622 10 0 BCAEHO C[C@H]1C[NH2+]CCN1CCN1CCCCC1 ZINC000054374284 177284172 /nfs/dbraw/zinc/28/41/72/177284172.db2.gz XDEKMWKGATZFOH-LBPRGKRZSA-N 1 3 211.353 0.766 10 0 BCAEHO C[C@@H]1C[C@H](C)CN(CC(=O)NCC[NH3+])C1 ZINC000040605530 177313050 /nfs/dbraw/zinc/31/30/50/177313050.db2.gz RMQPJTYTTXAAJE-AOOOYVTPSA-N 1 3 213.325 0.039 10 0 BCAEHO C[C@H](N[C@H]1COCC1(C)C)[C@@H]1CC[NH2+]C1 ZINC000400343790 226341373 /nfs/dbraw/zinc/34/13/73/226341373.db2.gz GLJIVBRDXPDMOE-AXFHLTTASA-N 1 3 212.337 0.999 10 0 BCAEHO C[C@H](N[C@@H]1C[C@@H](O)C1(C)C)[C@@H]1CC[NH2+]C1 ZINC000400415349 226343046 /nfs/dbraw/zinc/34/30/46/226343046.db2.gz VCMBDNCKMAVVSY-LNFKQOIKSA-N 1 3 212.337 0.733 10 0 BCAEHO C[C@H](NC[C@@H](O)C(C)(C)C)[C@@H]1CC[NH2+]C1 ZINC000400754097 226351308 /nfs/dbraw/zinc/35/13/08/226351308.db2.gz WKUBIDVZUUTCMQ-HBNTYKKESA-N 1 3 214.353 0.981 10 0 BCAEHO CC(C)[C@H](C(=O)N1CC[C@H](N(C)C)C1)[C@@H](C)[NH3+] ZINC000399655500 262841662 /nfs/dbraw/zinc/84/16/62/262841662.db2.gz OGPPEWVJGKDXKY-WOPDTQHZSA-N 1 3 241.379 0.768 10 0 BCAEHO [NH3+]C1(CC(=O)N2CCN3CCC[C@H]3C2)CC1 ZINC000398206726 490070411 /nfs/dbraw/zinc/07/04/11/490070411.db2.gz HMAJPQVWELFMBV-JTQLQIEISA-N 1 3 223.320 0.174 10 0 BCAEHO CCC[C@H](N)C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000336752522 487721934 /nfs/dbraw/zinc/72/19/34/487721934.db2.gz VTYZZVOJQVQAKL-BBBLOLIVSA-N 1 3 213.325 0.500 10 0 BCAEHO CC[NH2+]CCCNC(=O)[C@H](N)[C@@H](C)CC ZINC000309806132 487724418 /nfs/dbraw/zinc/72/44/18/487724418.db2.gz SEOTYRUFRVAICV-VHSXEESVSA-N 1 3 215.341 0.476 10 0 BCAEHO CN1CCC[C@H](NC(=O)[C@H]2CCC[C@H]2C[NH3+])C1 ZINC000250630303 487736743 /nfs/dbraw/zinc/73/67/43/487736743.db2.gz QYNJQLWOEXWUDI-SRVKXCTJSA-N 1 3 239.363 0.572 10 0 BCAEHO CN1CCC[C@@H](CNC(=O)[C@H]2CC[NH2+]C2)C1 ZINC000250603653 487736845 /nfs/dbraw/zinc/73/68/45/487736845.db2.gz KRVCTLAAKNPCHP-QWRGUYRKSA-N 1 3 225.336 0.054 10 0 BCAEHO COC[C@H](C)[NH2+][C@H](C)[C@H]1CCCNC1 ZINC000666774618 487878200 /nfs/dbraw/zinc/87/82/00/487878200.db2.gz GAROMHGWOSFTSE-AXFHLTTASA-N 1 3 200.326 0.999 10 0 BCAEHO COC[C@H](C)N[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000666774618 487878195 /nfs/dbraw/zinc/87/81/95/487878195.db2.gz GAROMHGWOSFTSE-AXFHLTTASA-N 1 3 200.326 0.999 10 0 BCAEHO C[C@@H](CNC(=O)[C@@H]1CCC[NH2+][C@@H]1C)N(C)C ZINC000227459451 487914456 /nfs/dbraw/zinc/91/44/56/487914456.db2.gz QECSGCRPSMSQJA-HBNTYKKESA-N 1 3 227.352 0.441 10 0 BCAEHO CC[C@H](C(=O)N1CC[C@@H]([NH+](C)C)C1)N(C)C ZINC000162600043 323630608 /nfs/dbraw/zinc/63/06/08/323630608.db2.gz ZFYCNLHOUFHZCT-GHMZBOCLSA-N 1 3 227.352 0.489 10 0 BCAEHO [NH3+]C[C@@H]1CCC[C@H]1C(=O)N1CCCNCC1 ZINC000084309497 488044103 /nfs/dbraw/zinc/04/41/03/488044103.db2.gz BDEUNFRCSKQUOY-WDEREUQCSA-N 1 3 225.336 0.183 10 0 BCAEHO CN(C)[C@H]1CCN(C(=O)C[C@@H]2CC[NH2+]C2)C1 ZINC000084383389 488049058 /nfs/dbraw/zinc/04/90/58/488049058.db2.gz SLFYGDGLRQBGCU-QWRGUYRKSA-N 1 3 225.336 0.149 10 0 BCAEHO CC(C)[C@@H]([NH3+])CC(=O)NC[C@H](C)N1CCCC1 ZINC000136496263 488105753 /nfs/dbraw/zinc/10/57/53/488105753.db2.gz PQEGXNMOLFWKNQ-RYUDHWBXSA-N 1 3 241.379 0.960 10 0 BCAEHO CC[C@H](C)[C@@H](N)C(=O)NC[C@@H](C)[NH+]1CCCC1 ZINC000161040527 487473734 /nfs/dbraw/zinc/47/37/34/487473734.db2.gz XTIRPXIZIBYAJI-QJPTWQEYSA-N 1 3 241.379 0.960 10 0 BCAEHO CCN1CCC(NC(=O)C[C@@H]([NH3+])C(C)C)CC1 ZINC000136411967 490562743 /nfs/dbraw/zinc/56/27/43/490562743.db2.gz OCFKJJWYGLRQMY-GFCCVEGCSA-N 1 3 241.379 0.960 10 0 BCAEHO [NH3+][C@@H]1CCNC[C@@H]1c1cccc(C=O)c1 ZINC000757216893 582561936 /nfs/dbraw/zinc/56/19/36/582561936.db2.gz RCPMRQYNOVTYFR-VXGBXAGGSA-N 1 3 204.273 0.903 10 0 BCAEHO N[C@@H]1CC[NH2+]C[C@@H]1c1cccc(C=O)c1 ZINC000757216893 582561938 /nfs/dbraw/zinc/56/19/38/582561938.db2.gz RCPMRQYNOVTYFR-VXGBXAGGSA-N 1 3 204.273 0.903 10 0 BCAEHO [NH3+][C@H]1CCNC[C@@H]1c1cccc(C=O)c1 ZINC000757216890 582562058 /nfs/dbraw/zinc/56/20/58/582562058.db2.gz RCPMRQYNOVTYFR-NEPJUHHUSA-N 1 3 204.273 0.903 10 0 BCAEHO N[C@H]1CC[NH2+]C[C@@H]1c1cccc(C=O)c1 ZINC000757216890 582562061 /nfs/dbraw/zinc/56/20/61/582562061.db2.gz RCPMRQYNOVTYFR-NEPJUHHUSA-N 1 3 204.273 0.903 10 0 BCAEHO C[C@H](NCCN1CCCC1)[C@@H]1CC[NH2+]C1 ZINC000400345641 533856731 /nfs/dbraw/zinc/85/67/31/533856731.db2.gz ITKOMPIOWDFHQS-NWDGAFQWSA-N 1 3 211.353 0.670 10 0 BCAEHO CN(C)C[C@@H]1CN(C[C@]2(C)CC[NH2+]C2)CCO1 ZINC000261884118 535948401 /nfs/dbraw/zinc/94/84/01/535948401.db2.gz RNGCDWDQZLIQEW-CHWSQXEVSA-N 1 3 241.379 0.248 10 0 BCAEHO CCN(CC)CC(=O)N1CC[C@H](C)C[C@H]1C[NH3+] ZINC000261911483 535491777 /nfs/dbraw/zinc/49/17/77/535491777.db2.gz XPUNPYOEECTUDB-RYUDHWBXSA-N 1 3 241.379 0.914 10 0 BCAEHO CCN(CC)CC(=O)N1CC[C@@H](C)C[C@@H]1C[NH3+] ZINC000261911484 535491882 /nfs/dbraw/zinc/49/18/82/535491882.db2.gz XPUNPYOEECTUDB-VXGBXAGGSA-N 1 3 241.379 0.914 10 0 BCAEHO CC[C@@H]1C[C@H](CNC[C@@H]2C[NH2+]C[C@H]2O)CCO1 ZINC000263308205 535901256 /nfs/dbraw/zinc/90/12/56/535901256.db2.gz YFPNJWZVASGMJQ-FDYHWXHSSA-N 1 3 242.363 0.362 10 0 BCAEHO CC[C@@H]1C[C@H](C[NH2+]C[C@@H]2CNC[C@H]2O)CCO1 ZINC000263308205 535901262 /nfs/dbraw/zinc/90/12/62/535901262.db2.gz YFPNJWZVASGMJQ-FDYHWXHSSA-N 1 3 242.363 0.362 10 0 BCAEHO CN1CCC[C@@H]1CNC(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000261533928 536374513 /nfs/dbraw/zinc/37/45/13/536374513.db2.gz LMXPUBXYQKQWEK-OUAUKWLOSA-N 1 3 225.336 0.324 10 0 BCAEHO CN1CCC[C@@H]1CNC(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000261544763 536374855 /nfs/dbraw/zinc/37/48/55/536374855.db2.gz ZSVCAHBWXVUQEP-SDDRHHMPSA-N 1 3 239.363 0.714 10 0 BCAEHO [NH3+][C@@H]1CCC[C@H]1C(=O)Nc1ccnn1C1CNC1 ZINC000725258073 566303543 /nfs/dbraw/zinc/30/35/43/566303543.db2.gz FLVUOTMMIOGDTG-NXEZZACHSA-N 1 3 249.318 0.093 10 0 BCAEHO CC[C@H](C)[NH2+]C[C@@]12C[C@]1(C(=O)OC)CNC2 ZINC000675073980 566454164 /nfs/dbraw/zinc/45/41/64/566454164.db2.gz PAEGXDGNEQUALQ-ZMLRMANQSA-N 1 3 226.320 0.527 10 0 BCAEHO CC[C@H](C)NC[C@@]12C[C@]1(C(=O)OC)C[NH2+]C2 ZINC000675073980 566454169 /nfs/dbraw/zinc/45/41/69/566454169.db2.gz PAEGXDGNEQUALQ-ZMLRMANQSA-N 1 3 226.320 0.527 10 0 BCAEHO CCC(C)(C)[NH2+]C[C@@]12C[C@]1(C(=O)OC)CNC2 ZINC000675074005 566454217 /nfs/dbraw/zinc/45/42/17/566454217.db2.gz PQCAVGWMFQKGJS-QWHCGFSZSA-N 1 3 240.347 0.917 10 0 BCAEHO CCC(C)(C)NC[C@@]12C[C@]1(C(=O)OC)C[NH2+]C2 ZINC000675074005 566454221 /nfs/dbraw/zinc/45/42/21/566454221.db2.gz PQCAVGWMFQKGJS-QWHCGFSZSA-N 1 3 240.347 0.917 10 0 BCAEHO [NH3+]CC[C@@H]1CC[C@H](c2cncnc2)NC1 ZINC000757218605 582561393 /nfs/dbraw/zinc/56/13/93/582561393.db2.gz VGZWHQXLTYLDJH-GXSJLCMTSA-N 1 3 206.293 0.866 10 0 BCAEHO CCn1cc([C@@H]2CNC[C@@H](C[NH3+])C2)cn1 ZINC000757234651 582563229 /nfs/dbraw/zinc/56/32/29/582563229.db2.gz LAVIZYNQETYLRB-ZJUUUORDSA-N 1 3 208.309 0.555 10 0 BCAEHO CCn1cc([C@@H]2C[NH2+]C[C@@H](CN)C2)cn1 ZINC000757234651 582563232 /nfs/dbraw/zinc/56/32/32/582563232.db2.gz LAVIZYNQETYLRB-ZJUUUORDSA-N 1 3 208.309 0.555 10 0 BCAEHO CCOC(=O)C[C@H](N)[C@@H]1CCC[N@H+](C)C1 ZINC000260392167 582879877 /nfs/dbraw/zinc/87/98/77/582879877.db2.gz KJIKZLHMGWPNNM-ZJUUUORDSA-N 1 3 214.309 0.609 10 0 BCAEHO CCOC(=O)C[C@H](N)[C@@H]1CCC[N@@H+](C)C1 ZINC000260392167 582879880 /nfs/dbraw/zinc/87/98/80/582879880.db2.gz KJIKZLHMGWPNNM-ZJUUUORDSA-N 1 3 214.309 0.609 10 0 BCAEHO CCOC(=O)C[C@@H](N)[C@@H]1CCC[N@H+](C)C1 ZINC000260392141 582880053 /nfs/dbraw/zinc/88/00/53/582880053.db2.gz KJIKZLHMGWPNNM-NXEZZACHSA-N 1 3 214.309 0.609 10 0 BCAEHO CCOC(=O)C[C@@H](N)[C@@H]1CCC[N@@H+](C)C1 ZINC000260392141 582880054 /nfs/dbraw/zinc/88/00/54/582880054.db2.gz KJIKZLHMGWPNNM-NXEZZACHSA-N 1 3 214.309 0.609 10 0 BCAEHO NC[C@H]1C[NH2+]C[C@H](c2cccc(N)c2)C1 ZINC000757212342 586439193 /nfs/dbraw/zinc/43/91/93/586439193.db2.gz IJWRMZNZQGGTBM-GXSJLCMTSA-N 1 3 205.305 0.921 10 0 BCAEHO Nc1cccc([C@H]2CNC[C@H](C[NH3+])C2)c1 ZINC000757212342 586439194 /nfs/dbraw/zinc/43/91/94/586439194.db2.gz IJWRMZNZQGGTBM-GXSJLCMTSA-N 1 3 205.305 0.921 10 0 BCAEHO [NH3+][C@H]1CNCC[C@@H]1c1ccc(C=O)s1 ZINC000757212909 586439548 /nfs/dbraw/zinc/43/95/48/586439548.db2.gz KCWKCLOWBKZSNE-IUCAKERBSA-N 1 3 210.302 0.965 10 0 BCAEHO [NH3+][C@@H]1CNCC[C@H]1c1ccc(C=O)s1 ZINC000757212911 586439586 /nfs/dbraw/zinc/43/95/86/586439586.db2.gz KCWKCLOWBKZSNE-RKDXNWHRSA-N 1 3 210.302 0.965 10 0 BCAEHO CN(C)[C@@H]1CCN(C(=O)C[C@H]([NH3+])C2CC2)C1 ZINC000129874688 591414616 /nfs/dbraw/zinc/41/46/16/591414616.db2.gz DPLJNAZCGOWXPJ-MNOVXSKESA-N 1 3 225.336 0.276 10 0 BCAEHO N[C@@H](CC1CC1)C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000302641476 592549964 /nfs/dbraw/zinc/54/99/64/592549964.db2.gz FZVWFYCIAZXCAJ-NEPJUHHUSA-N 1 3 237.347 0.420 10 0 BCAEHO N[C@@H](CC1CC1)C(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000302641476 592549965 /nfs/dbraw/zinc/54/99/65/592549965.db2.gz FZVWFYCIAZXCAJ-NEPJUHHUSA-N 1 3 237.347 0.420 10 0 BCAEHO N[C@@H](CC1CC1)C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000302641478 592550515 /nfs/dbraw/zinc/55/05/15/592550515.db2.gz FZVWFYCIAZXCAJ-RYUDHWBXSA-N 1 3 237.347 0.420 10 0 BCAEHO N[C@@H](CC1CC1)C(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000302641478 592550516 /nfs/dbraw/zinc/55/05/16/592550516.db2.gz FZVWFYCIAZXCAJ-RYUDHWBXSA-N 1 3 237.347 0.420 10 0 BCAEHO COC[C@H](O)CN(C)[C@@H]1CCC[NH2+]CC1 ZINC000168807970 632502101 /nfs/dbraw/zinc/50/21/01/632502101.db2.gz QBYRXJNONYNHRI-GHMZBOCLSA-N 1 3 216.325 0.068 10 0 BCAEHO C[C@H](CCO)NC[C@H](O)C[NH+]1CCCCC1 ZINC000309490365 633928708 /nfs/dbraw/zinc/92/87/08/633928708.db2.gz YBJNVYWXZHOQGO-NEPJUHHUSA-N 1 3 230.352 0.194 10 0 BCAEHO CCC[C@H](N)C(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000249878883 637065809 /nfs/dbraw/zinc/06/58/09/637065809.db2.gz HHWLTHHVJUKRML-KXUCPTDWSA-N 1 3 213.325 0.228 10 0 BCAEHO CCC[C@H](N)C(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000249878885 637066497 /nfs/dbraw/zinc/06/64/97/637066497.db2.gz HHWLTHHVJUKRML-UTLUCORTSA-N 1 3 213.325 0.228 10 0 BCAEHO CCOC[C@@H](O)CN(C)[C@@H]1CCC[NH2+]CC1 ZINC000226467101 640767363 /nfs/dbraw/zinc/76/73/63/640767363.db2.gz WDDKOBYVBXNXCR-NEPJUHHUSA-N 1 3 230.352 0.458 10 0 BCAEHO CCN1CCC[C@@H](NC(=O)C[C@@H]([NH3+])C2CC2)C1 ZINC000228536255 640879952 /nfs/dbraw/zinc/87/99/52/640879952.db2.gz BBPIKBRIIUXGFV-VXGBXAGGSA-N 1 3 239.363 0.714 10 0 BCAEHO C[C@H]1[NH2+]CCC[C@H]1NC(=O)[C@@H](N)C(C)(C)C ZINC000193566354 644255107 /nfs/dbraw/zinc/25/51/07/644255107.db2.gz JOQBCTLVHBGJES-OPRDCNLKSA-N 1 3 227.352 0.617 10 0 BCAEHO C[C@H](Cn1cccn1)[NH2+][C@H]1CCC[C@@H]1CN ZINC000084219661 644419869 /nfs/dbraw/zinc/41/98/69/644419869.db2.gz UKERGDCECRYPFB-UTUOFQBUSA-N 1 3 222.336 0.989 10 0 BCAEHO CCC[C@H]([NH3+])C(=O)N1CC[C@@H]2[C@H]1CCCN2C ZINC000720905306 712876567 /nfs/dbraw/zinc/87/65/67/712876567.db2.gz ZGWIJQZXEMGTNN-QJPTWQEYSA-N 1 3 239.363 0.809 10 0 BCAEHO C[C@@H]1CN(C[C@@H]2C[C@@H]3COC[C@H]3O2)C[C@@H]1C[NH3+] ZINC000724596767 711596382 /nfs/dbraw/zinc/59/63/82/711596382.db2.gz XMQJQPDCHARBPF-NAWOPXAZSA-N 1 3 240.347 0.317 10 0 BCAEHO [NH3+][C@@H]1CC[C@@H]2CN(CCO[C@@H]3CCOC3)C[C@@H]12 ZINC000724919769 711628063 /nfs/dbraw/zinc/62/80/63/711628063.db2.gz AGYOJVPDEKJSGF-FDYHWXHSSA-N 1 3 240.347 0.461 10 0 BCAEHO CCN1CCC[C@H](NC(=O)C[C@@H](C)[NH3+])C1 ZINC000040503647 711795172 /nfs/dbraw/zinc/79/51/72/711795172.db2.gz AXWPSOHNQKUUOI-ZJUUUORDSA-N 1 3 213.325 0.324 10 0 BCAEHO CC(C)OC[C@H](O)CN1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000708893248 712202439 /nfs/dbraw/zinc/20/24/39/712202439.db2.gz JNNKIZSLIPNYKR-GRYCIOLGSA-N 1 3 230.352 0.299 10 0 BCAEHO C[C@H](CNC(=O)[C@@H]1CCC[NH2+]1)N1CCCCC1 ZINC000038029417 712800255 /nfs/dbraw/zinc/80/02/55/712800255.db2.gz FTHUADGWMBLXDA-NEPJUHHUSA-N 1 3 239.363 0.729 10 0 BCAEHO C[NH2+][C@H](C)C(=O)N1CC[C@@H]2[C@@H]1CCCN2C ZINC000720897547 712876530 /nfs/dbraw/zinc/87/65/30/712876530.db2.gz HTKCPCDZEOIPMH-MXWKQRLJSA-N 1 3 225.336 0.289 10 0 BCAEHO NCC[N@@H+]1CC[C@H](c2cccc(CCO)c2)C1 ZINC000616612004 349468842 /nfs/dbraw/zinc/46/88/42/349468842.db2.gz IXRHLBVHVROTDU-AWEZNQCLSA-N 1 3 234.343 0.969 10 0 BCAEHO NCC[N@H+]1CC[C@H](c2cccc(CCO)c2)C1 ZINC000616612004 349468844 /nfs/dbraw/zinc/46/88/44/349468844.db2.gz IXRHLBVHVROTDU-AWEZNQCLSA-N 1 3 234.343 0.969 10 0 BCAEHO CCC(CC)(CO)N1CCC[NH2+]CC1 ZINC000038117301 168327864 /nfs/dbraw/zinc/32/78/64/168327864.db2.gz HCJRQTQQEAVVEZ-UHFFFAOYSA-N 1 3 200.326 0.833 10 0 BCAEHO C[C@H](CNC(=O)[C@@]1(C)CCCC[NH2+]1)N(C)C ZINC000159589262 136214514 /nfs/dbraw/zinc/21/45/14/136214514.db2.gz OHWWBENVRBWUJX-ZYHUDNBSSA-N 1 3 227.352 0.585 10 0 BCAEHO CCN1CCC[C@@H]1CN(C)C(=O)CCC[NH2+]C ZINC000092630180 398235538 /nfs/dbraw/zinc/23/55/38/398235538.db2.gz OFKJBAPCYZMZPV-GFCCVEGCSA-N 1 3 241.379 0.929 10 0 BCAEHO CCN1CCC[C@H]1CN(C)C(=O)C(C)(C)C[NH3+] ZINC000092626319 398235991 /nfs/dbraw/zinc/23/59/91/398235991.db2.gz ISCSGFIQSYVFQL-NSHDSACASA-N 1 3 241.379 0.914 10 0 BCAEHO CC[C@H](C)[C@@H](N)C(=O)NC1CC[NH2+]CC1 ZINC000381232589 398238975 /nfs/dbraw/zinc/23/89/75/398238975.db2.gz LDBUDDWPYKSNOU-WCBMZHEXSA-N 1 3 213.325 0.228 10 0 BCAEHO CCC(CC)N(CCOC)CC(=O)NCC[NH3+] ZINC000042614322 168373450 /nfs/dbraw/zinc/37/34/50/168373450.db2.gz DDNXKPKBQFAWOE-UHFFFAOYSA-N 1 3 245.367 0.198 10 0 BCAEHO NCc1c([C@@H]2CCCCO2)nnn1CCC[NH3+] ZINC000725269834 539026893 /nfs/dbraw/zinc/02/68/93/539026893.db2.gz ZWJJOEOWBBUXKB-JTQLQIEISA-N 1 3 239.323 0.327 10 0 BCAEHO C[C@@H]1C[NH2+]C[C@H]1C(=O)NC[C@H]1CCCN(C)C1 ZINC000235291461 343000824 /nfs/dbraw/zinc/00/08/24/343000824.db2.gz IIOFOQJYNZOMLM-IJLUTSLNSA-N 1 3 239.363 0.300 10 0 BCAEHO CCC[C@H](N)C(=O)N1CC[C@H]([NH3+])C[C@@H]1C ZINC000236809473 343112981 /nfs/dbraw/zinc/11/29/81/343112981.db2.gz XJVSAUFVIVUECJ-GUBZILKMSA-N 1 3 213.325 0.452 10 0 BCAEHO CC(C)N1CC[C@]2(C1)OC[C@H](C[NH3+])O2 ZINC000134991820 343352183 /nfs/dbraw/zinc/35/21/83/343352183.db2.gz HBPBZNLTLXSLIJ-UWVGGRQHSA-N 1 3 200.282 0.171 10 0 BCAEHO CCC[NH+]1CCC(N[C@H]2CCOC[C@@H]2O)CC1 ZINC000624235787 343579190 /nfs/dbraw/zinc/57/91/90/343579190.db2.gz PJYTYIYDBWAWDH-STQMWFEESA-N 1 3 242.363 0.600 10 0 BCAEHO COC(=O)CCN1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C ZINC000397298991 537823796 /nfs/dbraw/zinc/82/37/96/537823796.db2.gz CNOQDEPHGJGAKT-AXFHLTTASA-N 1 3 228.336 0.855 10 0 BCAEHO CCCN(CCN(C)C)C(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000091539693 344282328 /nfs/dbraw/zinc/28/23/28/344282328.db2.gz ZQBDJUVEGVOSBO-VXGBXAGGSA-N 1 3 241.379 0.914 10 0 BCAEHO CC(C)C[C@H](CN(C)C)NC(=O)CCC[NH3+] ZINC000037001316 344484894 /nfs/dbraw/zinc/48/48/94/344484894.db2.gz RIIJTRSWULHUDL-LLVKDONJSA-N 1 3 229.368 0.818 10 0 BCAEHO [NH3+]CC1(O)CCN([C@@H]2CCSC2)CC1 ZINC000238620237 345092948 /nfs/dbraw/zinc/09/29/48/345092948.db2.gz XBFVTYBJUVZRFA-SECBINFHSA-N 1 3 216.350 0.278 10 0 BCAEHO Cc1cn[nH]c1CN1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000634999720 345200312 /nfs/dbraw/zinc/20/03/12/345200312.db2.gz YHNKYDXKAGQLTG-ZJUUUORDSA-N 1 3 208.309 0.745 10 0 BCAEHO Cc1cn[nH]c1CN1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000634999718 345200466 /nfs/dbraw/zinc/20/04/66/345200466.db2.gz YHNKYDXKAGQLTG-UWVGGRQHSA-N 1 3 208.309 0.745 10 0 BCAEHO CCN1CCC[C@H](NC(=O)[C@@H](C)[C@H](C)[NH3+])C1 ZINC000248489327 345403714 /nfs/dbraw/zinc/40/37/14/345403714.db2.gz MVTGNCMHQOYDFT-DCAQKATOSA-N 1 3 227.352 0.570 10 0 BCAEHO [NH3+][C@H]1CC[C@H](NCc2cnccn2)CC1 ZINC000257351457 345773696 /nfs/dbraw/zinc/77/36/96/345773696.db2.gz FFVZOHKUZSLQJT-MGCOHNPYSA-N 1 3 206.293 0.836 10 0 BCAEHO CCN1CCC[C@H](NC(=O)CCCC[NH3+])C1 ZINC000069733712 349956292 /nfs/dbraw/zinc/95/62/92/349956292.db2.gz BYKAPLJAIKVORI-NSHDSACASA-N 1 3 227.352 0.716 10 0 BCAEHO C[C@H](CNC(=O)[C@H]1CCC[NH2+]C1)N1CCCC1 ZINC000161029076 323143345 /nfs/dbraw/zinc/14/33/45/323143345.db2.gz XEUJJHUGVQHZPJ-NEPJUHHUSA-N 1 3 239.363 0.587 10 0 BCAEHO CC(C)(N)c1cn([C@@H]2CC[C@H]([NH3+])C2)nn1 ZINC000669380858 537992410 /nfs/dbraw/zinc/99/24/10/537992410.db2.gz YYCZEEPWPKIONG-JGVFFNPUSA-N 1 3 209.297 0.524 10 0 BCAEHO C[C@@H](NC1CC1)C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000383213313 347967282 /nfs/dbraw/zinc/96/72/82/347967282.db2.gz ZIZHWLSYOZRTMN-KOLCDFICSA-N 1 3 225.336 0.289 10 0 BCAEHO CC[N@H+](C)[C@@H]1CC2(CC[C@@H]1N)OCCO2 ZINC000037078689 348019106 /nfs/dbraw/zinc/01/91/06/348019106.db2.gz HMJMXCPDWSXRRC-VHSXEESVSA-N 1 3 214.309 0.561 10 0 BCAEHO CC[N@@H+](C)[C@@H]1CC2(CC[C@@H]1N)OCCO2 ZINC000037078689 348019108 /nfs/dbraw/zinc/01/91/08/348019108.db2.gz HMJMXCPDWSXRRC-VHSXEESVSA-N 1 3 214.309 0.561 10 0 BCAEHO C[C@@H]1C[NH2+]C[C@]12CN(CC1CC1)CC[C@@H]2O ZINC000725246218 538006214 /nfs/dbraw/zinc/00/62/14/538006214.db2.gz RKNNVQXQMNJFJY-WXHSDQCUSA-N 1 3 224.348 0.689 10 0 BCAEHO CN[C@H](C)C(=O)NCCC[NH+]1CCCC1 ZINC000054071946 348874851 /nfs/dbraw/zinc/87/48/51/348874851.db2.gz VARMTCPWTZIACX-SNVBAGLBSA-N 1 3 213.325 0.196 10 0 BCAEHO C[NH2+][C@@H](C)C(=O)N[C@@H](CC(C)C)CN(C)C ZINC000054072706 348888636 /nfs/dbraw/zinc/88/86/36/348888636.db2.gz LKRCLLCBZZWERH-QWRGUYRKSA-N 1 3 229.368 0.687 10 0 BCAEHO CN1CCC(C(=O)N[C@@]23CC[C@H]2C[NH2+]C3)CC1 ZINC000616573736 349072749 /nfs/dbraw/zinc/07/27/49/349072749.db2.gz SPLLOWMPCZQWIZ-WCQYABFASA-N 1 3 237.347 0.196 10 0 BCAEHO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)CNC1CC1 ZINC000246387984 349097150 /nfs/dbraw/zinc/09/71/50/349097150.db2.gz BWHSRGOLFAIYFI-PWSUYJOCSA-N 1 3 237.347 0.434 10 0 BCAEHO C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)CNC1CC1 ZINC000246387984 349097151 /nfs/dbraw/zinc/09/71/51/349097151.db2.gz BWHSRGOLFAIYFI-PWSUYJOCSA-N 1 3 237.347 0.434 10 0 BCAEHO CCN(CCNC(=O)[C@@H]1C[NH2+]C[C@H]1C)C1CC1 ZINC000219924027 350150014 /nfs/dbraw/zinc/15/00/14/350150014.db2.gz QWJNELIXHNKEHC-ZYHUDNBSSA-N 1 3 239.363 0.442 10 0 BCAEHO CC(C)(O)CNC[C@@H](O)C[NH+]1CCCCC1 ZINC000381001955 350223954 /nfs/dbraw/zinc/22/39/54/350223954.db2.gz OYBQLLFMFJFKPO-LLVKDONJSA-N 1 3 230.352 0.194 10 0 BCAEHO Cc1nccn1CCN(CCC(N)=[NH2+])C1CC1 ZINC000042548227 180250151 /nfs/dbraw/zinc/25/01/51/180250151.db2.gz LZIYCPLGCGHCTJ-UHFFFAOYSA-N 1 3 235.335 0.982 10 0 BCAEHO C[C@H]([NH3+])CCC(=O)Nc1ccnn1C1CNC1 ZINC000725258789 538077299 /nfs/dbraw/zinc/07/72/99/538077299.db2.gz ZXXCQGQEOJLNSM-QMMMGPOBSA-N 1 3 237.307 0.093 10 0 BCAEHO C[C@]1(CO)CCC[N@@H+]1C[C@H]1CCCNC1 ZINC000309514410 350694572 /nfs/dbraw/zinc/69/45/72/350694572.db2.gz QTPJVDGGFMXYLC-NWDGAFQWSA-N 1 3 212.337 0.833 10 0 BCAEHO C[C@]1(CO)CCC[N@H+]1C[C@H]1CCCNC1 ZINC000309514410 350694573 /nfs/dbraw/zinc/69/45/73/350694573.db2.gz QTPJVDGGFMXYLC-NWDGAFQWSA-N 1 3 212.337 0.833 10 0 BCAEHO C[C@@]1(CO)CCC[N@@H+]1C[C@@H]1CCCNC1 ZINC000309514409 350694709 /nfs/dbraw/zinc/69/47/09/350694709.db2.gz QTPJVDGGFMXYLC-NEPJUHHUSA-N 1 3 212.337 0.833 10 0 BCAEHO C[C@@]1(CO)CCC[N@H+]1C[C@@H]1CCCNC1 ZINC000309514409 350694713 /nfs/dbraw/zinc/69/47/13/350694713.db2.gz QTPJVDGGFMXYLC-NEPJUHHUSA-N 1 3 212.337 0.833 10 0 BCAEHO Nc1cccc([C@@H]2CN(CC[NH3+])CCN2)c1 ZINC000616633959 351116030 /nfs/dbraw/zinc/11/60/30/351116030.db2.gz HXUNOJXXNXUAGL-LBPRGKRZSA-N 1 3 220.320 0.174 10 0 BCAEHO [NH3+]CCN1CCN[C@H](c2ccc(CO)cc2)C1 ZINC000616634797 351117906 /nfs/dbraw/zinc/11/79/06/351117906.db2.gz YYJZOZYQLZOHBD-ZDUSSCGKSA-N 1 3 235.331 0.084 10 0 BCAEHO CNc1ccc([C@H]2CN(CC[NH3+])CCN2)cc1 ZINC000616652262 351191221 /nfs/dbraw/zinc/19/12/21/351191221.db2.gz CUUNHUANLJIMGV-CYBMUJFWSA-N 1 3 234.347 0.633 10 0 BCAEHO [NH3+]CCN1CCN[C@@H](c2ccc(CCO)cc2)C1 ZINC000616656768 351197582 /nfs/dbraw/zinc/19/75/82/351197582.db2.gz SIZKVDVFVXDFFM-CQSZACIVSA-N 1 3 249.358 0.126 10 0 BCAEHO CC[NH2+][C@H](C)C(=O)N1C[C@@H]2CCCN2C[C@H]1C ZINC000638114961 351990256 /nfs/dbraw/zinc/99/02/56/351990256.db2.gz DDRQVJVRWGUTTP-UTUOFQBUSA-N 1 3 239.363 0.680 10 0 BCAEHO CCN[C@H](C)C(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000638114961 351990259 /nfs/dbraw/zinc/99/02/59/351990259.db2.gz DDRQVJVRWGUTTP-UTUOFQBUSA-N 1 3 239.363 0.680 10 0 BCAEHO CCN[C@H](C)C(=O)N1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC000638114961 351990263 /nfs/dbraw/zinc/99/02/63/351990263.db2.gz DDRQVJVRWGUTTP-UTUOFQBUSA-N 1 3 239.363 0.680 10 0 BCAEHO CC(C)CC[C@H](N)C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000638277522 352112522 /nfs/dbraw/zinc/11/25/22/352112522.db2.gz ZPUDCRYQESTYDL-NEPJUHHUSA-N 1 3 241.379 0.912 10 0 BCAEHO CN(C)[C@@H]1CCN(C(=O)C2=CC[C@H]([NH3+])C2)C1 ZINC000638276154 352113241 /nfs/dbraw/zinc/11/32/41/352113241.db2.gz QVFFATHFFMFTSP-WDEREUQCSA-N 1 3 223.320 0.196 10 0 BCAEHO CC(C)C[C@@H](CN(C)C)NC(=O)[C@H](C)C[NH3+] ZINC000044806481 352657170 /nfs/dbraw/zinc/65/71/70/352657170.db2.gz LYJOIVRSSWEKIB-MNOVXSKESA-N 1 3 229.368 0.674 10 0 BCAEHO CC(C)C[C@H](N)C(=O)N[C@@H](C)C[NH+]1CCCC1 ZINC000049184780 188124446 /nfs/dbraw/zinc/12/44/46/188124446.db2.gz RMKLOFAMYKZNNT-RYUDHWBXSA-N 1 3 241.379 0.960 10 0 BCAEHO CC(C)[C@H](CN(C)C)NC(=O)[C@](C)([NH3+])C1CC1 ZINC000049221236 188124464 /nfs/dbraw/zinc/12/44/64/188124464.db2.gz LTOUTFUNZCVIDU-WCQYABFASA-N 1 3 241.379 0.816 10 0 BCAEHO CC(C)(C)[C@@H](N)C(=O)NC1CCC([NH3+])CC1 ZINC000077515260 188136477 /nfs/dbraw/zinc/13/64/77/188136477.db2.gz CUVAXKDREAVRBE-RTBKNWGFSA-N 1 3 227.352 0.746 10 0 BCAEHO CN(C(=O)CCC[NH3+])[C@@H]1CCCN(C)C1 ZINC000053245704 188161172 /nfs/dbraw/zinc/16/11/72/188161172.db2.gz QCSIQJXMMWLXNX-SNVBAGLBSA-N 1 3 213.325 0.278 10 0 BCAEHO C([C@@H]1CO[C@@]2(C1)CNCCOC2)[NH+]1CCCC1 ZINC000096240648 188147520 /nfs/dbraw/zinc/14/75/20/188147520.db2.gz INBQPZGALFHFQN-OLZOCXBDSA-N 1 3 240.347 0.477 10 0 BCAEHO CN1CCC(OC(=O)[C@H]2CC[NH2+]C2)CC1 ZINC000062132623 188184614 /nfs/dbraw/zinc/18/46/14/188184614.db2.gz KIMFARHXZXDYEK-VIFPVBQESA-N 1 3 212.293 0.233 10 0 BCAEHO CCN1CCC[C@H]1CN(C)C(=O)[C@H](C)C[NH3+] ZINC000252573103 353300060 /nfs/dbraw/zinc/30/00/60/353300060.db2.gz DKAVEMUYUGDQDG-MNOVXSKESA-N 1 3 227.352 0.524 10 0 BCAEHO CCN1CCC[C@H]1CNC(=O)[C@H]1CCC[NH2+]C1 ZINC000161854032 353302111 /nfs/dbraw/zinc/30/21/11/353302111.db2.gz NEUYQFLDSSDPKS-RYUDHWBXSA-N 1 3 239.363 0.587 10 0 BCAEHO COC(=O)CCN1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000252863425 353312112 /nfs/dbraw/zinc/31/21/12/353312112.db2.gz OQFVVOWRINPWNE-DCAQKATOSA-N 1 3 226.320 0.609 10 0 BCAEHO [NH3+][C@H]1CCC[C@H](NCCn2cncn2)C1 ZINC000381739948 355387401 /nfs/dbraw/zinc/38/74/01/355387401.db2.gz YZEUMPHCOXMIKL-UWVGGRQHSA-N 1 3 209.297 0.138 10 0 BCAEHO O[C@H]1C[NH2+]C[C@H]1CNc1ccnc2ccccc21 ZINC000420256632 192189290 /nfs/dbraw/zinc/18/92/90/192189290.db2.gz VJHKTFDMBIYCQU-HZMBPMFUSA-N 1 3 243.310 0.649 10 0 BCAEHO NC(=O)[C@H]1CCCN(C[C@H]2CCC[NH2+]C2)C1 ZINC000043493498 181281245 /nfs/dbraw/zinc/28/12/45/181281245.db2.gz WHNZKQHFXFTDPB-QWRGUYRKSA-N 1 3 225.336 0.183 10 0 BCAEHO NC(=O)[C@H]1CCC[N@H+](C[C@H]2CCCNC2)C1 ZINC000043493498 181281246 /nfs/dbraw/zinc/28/12/46/181281246.db2.gz WHNZKQHFXFTDPB-QWRGUYRKSA-N 1 3 225.336 0.183 10 0 BCAEHO NC(=O)[C@H]1CCC[N@@H+](C[C@H]2CCCNC2)C1 ZINC000043493498 181281247 /nfs/dbraw/zinc/28/12/47/181281247.db2.gz WHNZKQHFXFTDPB-QWRGUYRKSA-N 1 3 225.336 0.183 10 0 BCAEHO NC(=O)[C@H]1CCCN1CC[C@@H]1CCC[NH2+]C1 ZINC000051918926 181281819 /nfs/dbraw/zinc/28/18/19/181281819.db2.gz WJBUMHZMWGQUHQ-WDEREUQCSA-N 1 3 225.336 0.326 10 0 BCAEHO CC(C)[NH+]1CCC(n2cc(CN)nn2)CC1 ZINC000675051728 538475266 /nfs/dbraw/zinc/47/52/66/538475266.db2.gz RQEFTKLYVXFVHH-UHFFFAOYSA-N 1 3 223.324 0.782 10 0 BCAEHO Cn1ccnc1CCC1=C[C@@H]([NH3+])CNC1 ZINC000675077917 538513685 /nfs/dbraw/zinc/51/36/85/538513685.db2.gz JXTWLJCFWORRGU-SNVBAGLBSA-N 1 3 206.293 0.210 10 0 BCAEHO CN(C1CC1)[C@@H]1C[C@@H]([NH3+])C12CCOCC2 ZINC000675078941 538517407 /nfs/dbraw/zinc/51/74/07/538517407.db2.gz CJGLBNSZJQKDCB-GHMZBOCLSA-N 1 3 210.321 0.977 10 0 BCAEHO C[N@H+](C1CC1)[C@@H]1C[C@@H](N)C12CCOCC2 ZINC000675078941 538517409 /nfs/dbraw/zinc/51/74/09/538517409.db2.gz CJGLBNSZJQKDCB-GHMZBOCLSA-N 1 3 210.321 0.977 10 0 BCAEHO C[N@@H+](C1CC1)[C@@H]1C[C@@H](N)C12CCOCC2 ZINC000675078941 538517412 /nfs/dbraw/zinc/51/74/12/538517412.db2.gz CJGLBNSZJQKDCB-GHMZBOCLSA-N 1 3 210.321 0.977 10 0 BCAEHO CCC[C@@H](N)C(=O)N[C@](C)(C[NH3+])C(C)C ZINC000261539782 535349359 /nfs/dbraw/zinc/34/93/59/535349359.db2.gz DDEKGASMRVWXJO-MWLCHTKSSA-N 1 3 215.341 0.603 10 0 BCAEHO CN(CC1CCN(C)CC1)C(=O)[C@H]1CC[NH2+]C1 ZINC000063122331 357529914 /nfs/dbraw/zinc/52/99/14/357529914.db2.gz LDHLHRHYUVOAJO-LBPRGKRZSA-N 1 3 239.363 0.396 10 0 BCAEHO COCCN(C)C1[C@H](C)C[NH2+]C[C@H]1C ZINC000685950542 538893796 /nfs/dbraw/zinc/89/37/96/538893796.db2.gz AXKKOQCGOWDVFD-NXEZZACHSA-N 1 3 200.326 0.809 10 0 BCAEHO COCC[N@H+](C)C1[C@H](C)CNC[C@H]1C ZINC000685950542 538893798 /nfs/dbraw/zinc/89/37/98/538893798.db2.gz AXKKOQCGOWDVFD-NXEZZACHSA-N 1 3 200.326 0.809 10 0 BCAEHO COCC[N@@H+](C)C1[C@H](C)CNC[C@H]1C ZINC000685950542 538893799 /nfs/dbraw/zinc/89/37/99/538893799.db2.gz AXKKOQCGOWDVFD-NXEZZACHSA-N 1 3 200.326 0.809 10 0 BCAEHO COCCN(C)C1[C@@H](C)C[NH2+]C[C@@H]1C ZINC000685950546 538893950 /nfs/dbraw/zinc/89/39/50/538893950.db2.gz AXKKOQCGOWDVFD-UWVGGRQHSA-N 1 3 200.326 0.809 10 0 BCAEHO COCC[N@H+](C)C1[C@@H](C)CNC[C@@H]1C ZINC000685950546 538893951 /nfs/dbraw/zinc/89/39/51/538893951.db2.gz AXKKOQCGOWDVFD-UWVGGRQHSA-N 1 3 200.326 0.809 10 0 BCAEHO COCC[N@@H+](C)C1[C@@H](C)CNC[C@@H]1C ZINC000685950546 538893953 /nfs/dbraw/zinc/89/39/53/538893953.db2.gz AXKKOQCGOWDVFD-UWVGGRQHSA-N 1 3 200.326 0.809 10 0 BCAEHO COCCN(C)[C@H]1[C@H](C)C[NH2+]C[C@@H]1C ZINC000685950545 538893968 /nfs/dbraw/zinc/89/39/68/538893968.db2.gz AXKKOQCGOWDVFD-URLYPYJESA-N 1 3 200.326 0.809 10 0 BCAEHO COCC[N@H+](C)[C@H]1[C@H](C)CNC[C@@H]1C ZINC000685950545 538893969 /nfs/dbraw/zinc/89/39/69/538893969.db2.gz AXKKOQCGOWDVFD-URLYPYJESA-N 1 3 200.326 0.809 10 0 BCAEHO COCC[N@@H+](C)[C@H]1[C@H](C)CNC[C@@H]1C ZINC000685950545 538893970 /nfs/dbraw/zinc/89/39/70/538893970.db2.gz AXKKOQCGOWDVFD-URLYPYJESA-N 1 3 200.326 0.809 10 0 BCAEHO CN1CCC[C@@H]1CNC(=O)C1CCC([NH3+])CC1 ZINC000224049037 357830596 /nfs/dbraw/zinc/83/05/96/357830596.db2.gz UYDDPGNVGBUFLM-HTAVTVPLSA-N 1 3 239.363 0.714 10 0 BCAEHO CCN1CCC[C@H]1CN(C)C(=O)CCC[NH3+] ZINC000086188861 357872580 /nfs/dbraw/zinc/87/25/80/357872580.db2.gz HNUJXSHLLWVUMJ-NSHDSACASA-N 1 3 227.352 0.668 10 0 BCAEHO C[NH2+][C@H](C)C(=O)NC[C@@H](C)N(C)C1CC1 ZINC000219941642 358010603 /nfs/dbraw/zinc/01/06/03/358010603.db2.gz LMKMHXWCPXBZFL-RKDXNWHRSA-N 1 3 213.325 0.193 10 0 BCAEHO CC[C@H](C)[N@H+](C)CCNC(=O)[C@@H](C)NC ZINC000220086757 358023882 /nfs/dbraw/zinc/02/38/82/358023882.db2.gz ZELRULRALFHVTO-VHSXEESVSA-N 1 3 215.341 0.441 10 0 BCAEHO CC[C@H](C)[N@@H+](C)CCNC(=O)[C@@H](C)NC ZINC000220086757 358023884 /nfs/dbraw/zinc/02/38/84/358023884.db2.gz ZELRULRALFHVTO-VHSXEESVSA-N 1 3 215.341 0.441 10 0 BCAEHO CN[C@H](C)C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000220882582 358055631 /nfs/dbraw/zinc/05/56/31/358055631.db2.gz XFFAZMUCYDEWBM-WOPDTQHZSA-N 1 3 239.363 0.537 10 0 BCAEHO CN[C@H](C)C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000220882582 358055635 /nfs/dbraw/zinc/05/56/35/358055635.db2.gz XFFAZMUCYDEWBM-WOPDTQHZSA-N 1 3 239.363 0.537 10 0 BCAEHO CCN1CCC[C@@H]1CN(C)C(=O)[C@@H](C)[NH2+]C ZINC000086188891 358442716 /nfs/dbraw/zinc/44/27/16/358442716.db2.gz YXKVOCIHHPFKTM-GHMZBOCLSA-N 1 3 227.352 0.537 10 0 BCAEHO [NH3+]C[C@@H]1CCCN1C(=O)C[C@@H]1CSCCN1 ZINC000131094382 358659838 /nfs/dbraw/zinc/65/98/38/358659838.db2.gz QTVQLZPDLXBMCF-ZJUUUORDSA-N 1 3 243.376 0.031 10 0 BCAEHO CCC[C@H](N)C(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC000219973636 134295716 /nfs/dbraw/zinc/29/57/16/134295716.db2.gz HGHGFECIBHBPEU-KOLCDFICSA-N 1 3 227.352 0.713 10 0 BCAEHO CCC[C@H](N)C(=O)NC[C@@H](C)[N@@H+](C)C1CC1 ZINC000219973636 134295717 /nfs/dbraw/zinc/29/57/17/134295717.db2.gz HGHGFECIBHBPEU-KOLCDFICSA-N 1 3 227.352 0.713 10 0 BCAEHO CC[C@](C)([C@H](C)[NH3+])N1C[C@@H](O)C[C@H]1C ZINC000306514878 360338187 /nfs/dbraw/zinc/33/81/87/360338187.db2.gz BKYDNJJMIJQODY-VPOLOUISSA-N 1 3 200.326 0.957 10 0 BCAEHO [NH3+]C1CCN(C(=O)CN2CCCC2)CC1 ZINC000020160633 181343997 /nfs/dbraw/zinc/34/39/97/181343997.db2.gz PYNCMDZSVNMACF-UHFFFAOYSA-N 1 3 211.309 0.032 10 0 BCAEHO CO[C@H]1CN(CC2CCOCC2)[C@@](C)(C[NH3+])C1 ZINC000630363726 364079799 /nfs/dbraw/zinc/07/97/99/364079799.db2.gz QXJZYDPBPOEWBV-CHWSQXEVSA-N 1 3 242.363 0.851 10 0 BCAEHO CO[C@@H]1CN(C[C@H]2CCOC2)[C@](C)(C[NH3+])C1 ZINC000630357864 364079964 /nfs/dbraw/zinc/07/99/64/364079964.db2.gz GAXFCQASWOPMKY-WOPDTQHZSA-N 1 3 228.336 0.461 10 0 BCAEHO N[C@H](CCCC[NH3+])C(=O)N1CCCCC1 ZINC000026717277 181378306 /nfs/dbraw/zinc/37/83/06/181378306.db2.gz MDGXMHHGFICIAS-SNVBAGLBSA-N 1 3 213.325 0.455 10 0 BCAEHO CCC[C@H](N)C(=O)N[C@H]1CC[NH2+]C[C@@H]1C ZINC000381234709 367367339 /nfs/dbraw/zinc/36/73/39/367367339.db2.gz LQUGBHSHMCQIPW-GUBZILKMSA-N 1 3 213.325 0.228 10 0 BCAEHO CN1CCN(c2ccc(N)c(C[NH3+])c2)CC1 ZINC000142832518 368348138 /nfs/dbraw/zinc/34/81/38/368348138.db2.gz UEVUFRMCURUEQI-UHFFFAOYSA-N 1 3 220.320 0.479 10 0 BCAEHO C[C@H]1CN(CCn2cccn2)C[C@H]1C[NH3+] ZINC000631838350 372631948 /nfs/dbraw/zinc/63/19/48/372631948.db2.gz MTGKWWWZHARFAT-WDEREUQCSA-N 1 3 208.309 0.410 10 0 BCAEHO CCN1CCC[C@@H](NC2CC[NH2+]CC2)C1 ZINC000040503012 373360624 /nfs/dbraw/zinc/36/06/24/373360624.db2.gz HOOCJUHZYZCCOD-GFCCVEGCSA-N 1 3 211.353 0.812 10 0 BCAEHO OC1(CN2CCO[C@H]3CCC[C@@H]32)CC[NH2+]CC1 ZINC000051016355 183018070 /nfs/dbraw/zinc/01/80/70/183018070.db2.gz SKPCDHBVKIZULE-RYUDHWBXSA-N 1 3 240.347 0.354 10 0 BCAEHO OC[C@@]1([N@@H+]2CCCNCC2)CCCSC1 ZINC000061590873 183134899 /nfs/dbraw/zinc/13/48/99/183134899.db2.gz RGXLWTJVIPLPGQ-NSHDSACASA-N 1 3 230.377 0.540 10 0 BCAEHO OC[C@@]1([N@H+]2CCCNCC2)CCCSC1 ZINC000061590873 183134900 /nfs/dbraw/zinc/13/49/00/183134900.db2.gz RGXLWTJVIPLPGQ-NSHDSACASA-N 1 3 230.377 0.540 10 0 BCAEHO OC[C@]1([N@@H+]2CCCNCC2)CCSC1 ZINC000038117147 183159585 /nfs/dbraw/zinc/15/95/85/183159585.db2.gz GRPKNPKFWXTOIU-SNVBAGLBSA-N 1 3 216.350 0.150 10 0 BCAEHO OC[C@]1([N@H+]2CCCNCC2)CCSC1 ZINC000038117147 183159587 /nfs/dbraw/zinc/15/95/87/183159587.db2.gz GRPKNPKFWXTOIU-SNVBAGLBSA-N 1 3 216.350 0.150 10 0 BCAEHO CCC[N@H+](C)[C@@H]1CC2(CC[C@@H]1N)OCCO2 ZINC000037098291 169085688 /nfs/dbraw/zinc/08/56/88/169085688.db2.gz IXOPDSPLHJIQOM-WDEREUQCSA-N 1 3 228.336 0.951 10 0 BCAEHO CCC[N@@H+](C)[C@@H]1CC2(CC[C@@H]1N)OCCO2 ZINC000037098291 169085689 /nfs/dbraw/zinc/08/56/89/169085689.db2.gz IXOPDSPLHJIQOM-WDEREUQCSA-N 1 3 228.336 0.951 10 0 BCAEHO O[C@H]1CNCC[C@H]1[NH2+]Cc1ccccc1 ZINC000034122511 183245235 /nfs/dbraw/zinc/24/52/35/183245235.db2.gz AHEIGAOSXRVHSH-NEPJUHHUSA-N 1 3 206.289 0.499 10 0 BCAEHO CCCN(CCO)C1(C[NH3+])CCCC1 ZINC000050090509 169165137 /nfs/dbraw/zinc/16/51/37/169165137.db2.gz LOQKOBIOENDENR-UHFFFAOYSA-N 1 3 200.326 0.962 10 0 BCAEHO CCC[N@@H+]1CCC[C@@H]([C@@H](C)NCCC(N)=O)C1 ZINC000036746770 169195554 /nfs/dbraw/zinc/19/55/54/169195554.db2.gz PDLGEJRXZIBMRV-VXGBXAGGSA-N 1 3 241.379 0.962 10 0 BCAEHO CCC[N@H+]1CCC[C@@H]([C@@H](C)NCCC(N)=O)C1 ZINC000036746770 169195555 /nfs/dbraw/zinc/19/55/55/169195555.db2.gz PDLGEJRXZIBMRV-VXGBXAGGSA-N 1 3 241.379 0.962 10 0 BCAEHO CCCN1CCC[C@@H]([C@@H](C)[NH2+]CCC(N)=O)C1 ZINC000036746770 169195557 /nfs/dbraw/zinc/19/55/57/169195557.db2.gz PDLGEJRXZIBMRV-VXGBXAGGSA-N 1 3 241.379 0.962 10 0 BCAEHO CCCNCC[NH2+]CCCn1ccnc1 ZINC000049478670 169258961 /nfs/dbraw/zinc/25/89/61/169258961.db2.gz SPHLWNUJEQALRW-UHFFFAOYSA-N 1 3 210.325 0.862 10 0 BCAEHO CCC[C@@H](N)C(=O)N1CCC[C@H]1C[NH2+]C ZINC000236907433 169388272 /nfs/dbraw/zinc/38/82/72/169388272.db2.gz NVUOFVQLHYVSMT-VHSXEESVSA-N 1 3 213.325 0.324 10 0 BCAEHO CCC[C@@H](N)C(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC000226398578 169389596 /nfs/dbraw/zinc/38/95/96/169389596.db2.gz HGHGFECIBHBPEU-MWLCHTKSSA-N 1 3 227.352 0.713 10 0 BCAEHO CCC[C@@H](N)C(=O)NC[C@@H](C)[N@@H+](C)C1CC1 ZINC000226398578 169389598 /nfs/dbraw/zinc/38/95/98/169389598.db2.gz HGHGFECIBHBPEU-MWLCHTKSSA-N 1 3 227.352 0.713 10 0 BCAEHO CCC[C@@H](N)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000037649670 169390020 /nfs/dbraw/zinc/39/00/20/169390020.db2.gz UQECCAKCLSUPFL-ZYHUDNBSSA-N 1 3 239.363 0.714 10 0 BCAEHO CCC[C@@H](N)C(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000037649670 169390021 /nfs/dbraw/zinc/39/00/21/169390021.db2.gz UQECCAKCLSUPFL-ZYHUDNBSSA-N 1 3 239.363 0.714 10 0 BCAEHO CCC[C@@H](N)C(=O)NC[C@@H](C)C[NH+]1CCCC1 ZINC000059931009 169389065 /nfs/dbraw/zinc/38/90/65/169389065.db2.gz DVDQUXFCLQZRHI-VXGBXAGGSA-N 1 3 241.379 0.962 10 0 BCAEHO CCC[C@@H](N)C(=O)NCC[N@H+](C)[C@H](C)CC ZINC000226396673 169389146 /nfs/dbraw/zinc/38/91/46/169389146.db2.gz BBNLTPVRYGFARK-GHMZBOCLSA-N 1 3 229.368 0.960 10 0 BCAEHO CCC[C@@H](N)C(=O)NCC[N@@H+](C)[C@H](C)CC ZINC000226396673 169389147 /nfs/dbraw/zinc/38/91/47/169389147.db2.gz BBNLTPVRYGFARK-GHMZBOCLSA-N 1 3 229.368 0.960 10 0 BCAEHO [NH3+]C[C@H]1CCN(C[C@@H]2CCOCO2)C1 ZINC000050248477 383986849 /nfs/dbraw/zinc/98/68/49/383986849.db2.gz GGIDJBOQDRMPEF-ZJUUUORDSA-N 1 3 200.282 0.030 10 0 BCAEHO CCC[C@@H](N)C(=O)N1CCC([C@@H](C)[NH3+])CC1 ZINC000178407548 384171394 /nfs/dbraw/zinc/17/13/94/384171394.db2.gz RXGQNAIGIXXXDW-MWLCHTKSSA-N 1 3 227.352 0.700 10 0 BCAEHO CC[C@H](C[NH3+])[C@]1(O)CCN(C)[C@H](C)C1 ZINC000157178772 384226965 /nfs/dbraw/zinc/22/69/65/384226965.db2.gz WELBDZNRTLDYSS-MXWKQRLJSA-N 1 3 200.326 0.817 10 0 BCAEHO CC(C)[C@@H](CO)C[NH2+][C@@H]1CCCNCC1 ZINC000394045270 384394038 /nfs/dbraw/zinc/39/40/38/384394038.db2.gz LZTALUAWGVXKBZ-VXGBXAGGSA-N 1 3 214.353 0.983 10 0 BCAEHO CC(C)[C@@H](CO)CN[C@@H]1CCC[NH2+]CC1 ZINC000394045270 384394042 /nfs/dbraw/zinc/39/40/42/384394042.db2.gz LZTALUAWGVXKBZ-VXGBXAGGSA-N 1 3 214.353 0.983 10 0 BCAEHO CC(C)OCCN[C@@H](C)[C@@H]1CC[NH2+]C1 ZINC000400521234 384404578 /nfs/dbraw/zinc/40/45/78/384404578.db2.gz OKRZZQQQCVEGGZ-WDEREUQCSA-N 1 3 200.326 0.999 10 0 BCAEHO CC(C)OCCN[C@H](C)[C@H]1CC[NH2+]C1 ZINC000400521231 384406093 /nfs/dbraw/zinc/40/60/93/384406093.db2.gz OKRZZQQQCVEGGZ-MNOVXSKESA-N 1 3 200.326 0.999 10 0 BCAEHO Cc1cn[nH]c1CN1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000647512638 384410924 /nfs/dbraw/zinc/41/09/24/384410924.db2.gz NYHGOZNMGGKHKD-AXFHLTTASA-N 1 3 220.320 0.887 10 0 BCAEHO CCN(CC)CC(=O)N1CCC[C@@H]1C[NH3+] ZINC000236837818 384590246 /nfs/dbraw/zinc/59/02/46/384590246.db2.gz WPOBHKTTYUGNOR-SNVBAGLBSA-N 1 3 213.325 0.278 10 0 BCAEHO C[NH+](C)[C@H]1CCN(C(=O)[C@H](N)C2CCC2)C1 ZINC000335050914 384615614 /nfs/dbraw/zinc/61/56/14/384615614.db2.gz LDNLIPROXPNRAD-WDEREUQCSA-N 1 3 225.336 0.276 10 0 BCAEHO CC(C)C[C@H](CN(C)C)N[C@H]1CC[NH2+]C1 ZINC000086728039 384678822 /nfs/dbraw/zinc/67/88/22/384678822.db2.gz CJQUXWFRWYHSEM-NWDGAFQWSA-N 1 3 213.369 0.914 10 0 BCAEHO CCC[C@H](N)C(=O)NC[C@@H](C1CC1)[NH+](C)C ZINC000236866121 384692565 /nfs/dbraw/zinc/69/25/65/384692565.db2.gz DNDDPPOFJQCNQT-QWRGUYRKSA-N 1 3 227.352 0.570 10 0 BCAEHO CN[C@H](C)C(=O)NC[C@H]1CC[N@@H+](C(C)C)C1 ZINC000054076055 384731173 /nfs/dbraw/zinc/73/11/73/384731173.db2.gz CAVNVERAWKZOCL-GHMZBOCLSA-N 1 3 227.352 0.441 10 0 BCAEHO CN[C@H](C)C(=O)NC[C@H]1CC[N@H+](C(C)C)C1 ZINC000054076055 384731178 /nfs/dbraw/zinc/73/11/78/384731178.db2.gz CAVNVERAWKZOCL-GHMZBOCLSA-N 1 3 227.352 0.441 10 0 BCAEHO COC(=O)CCN1C[C@H](C[NH3+])C[C@H]1C ZINC000126916934 384828781 /nfs/dbraw/zinc/82/87/81/384828781.db2.gz MKLMWHYCKQSZJE-BDAKNGLRSA-N 1 3 200.282 0.219 10 0 BCAEHO C[NH+](C)[C@@H]1CCN(C(=O)[C@H](N)C2CCC2)C1 ZINC000335050911 384785223 /nfs/dbraw/zinc/78/52/23/384785223.db2.gz LDNLIPROXPNRAD-GHMZBOCLSA-N 1 3 225.336 0.276 10 0 BCAEHO CON1CCC([N@H+](C)C[C@H]2CCCNC2)CC1 ZINC000566229933 384952640 /nfs/dbraw/zinc/95/26/40/384952640.db2.gz URXWYEAILNDPTL-LBPRGKRZSA-N 1 3 241.379 0.944 10 0 BCAEHO CON1CCC([N@@H+](C)C[C@H]2CCCNC2)CC1 ZINC000566229933 384952648 /nfs/dbraw/zinc/95/26/48/384952648.db2.gz URXWYEAILNDPTL-LBPRGKRZSA-N 1 3 241.379 0.944 10 0 BCAEHO CON1CCC(N(C)C[C@H]2CCC[NH2+]C2)CC1 ZINC000566229933 384952654 /nfs/dbraw/zinc/95/26/54/384952654.db2.gz URXWYEAILNDPTL-LBPRGKRZSA-N 1 3 241.379 0.944 10 0 BCAEHO NC[C@H]1CN(Cc2ccccc2)CC[NH2+]1 ZINC000259351016 385303676 /nfs/dbraw/zinc/30/36/76/385303676.db2.gz SZXCNYQQYPARBF-LBPRGKRZSA-N 1 3 205.305 0.419 10 0 BCAEHO CC(C)C[C@H](C)NC[C@@H]1C[NH2+]C[C@H]1O ZINC000336649813 385594586 /nfs/dbraw/zinc/59/45/86/385594586.db2.gz IOKATZYCRDFOGI-GARJFASQSA-N 1 3 200.326 0.591 10 0 BCAEHO CC(C)C[C@H](C)[NH2+]C[C@@H]1CNC[C@H]1O ZINC000336649813 385594589 /nfs/dbraw/zinc/59/45/89/385594589.db2.gz IOKATZYCRDFOGI-GARJFASQSA-N 1 3 200.326 0.591 10 0 BCAEHO C[C@H](NC[C@H](O)C[N@H+](C)C1CC1)[C@H]1CCCO1 ZINC000336677018 385605913 /nfs/dbraw/zinc/60/59/13/385605913.db2.gz CIVDZQZSSWLOHO-WCFLWFBJSA-N 1 3 242.363 0.599 10 0 BCAEHO C[C@H](NC[C@H](O)C[N@@H+](C)C1CC1)[C@H]1CCCO1 ZINC000336677018 385605915 /nfs/dbraw/zinc/60/59/15/385605915.db2.gz CIVDZQZSSWLOHO-WCFLWFBJSA-N 1 3 242.363 0.599 10 0 BCAEHO CS[C@H](CO)[C@@H](C)N[C@@H]1CCC[NH2+]CC1 ZINC000228310476 385630348 /nfs/dbraw/zinc/63/03/48/385630348.db2.gz RVDBYUSYHCMZDO-GMTAPVOTSA-N 1 3 232.393 0.831 10 0 BCAEHO CN(C)[C@H]1CCN(C(=O)C[C@@H]2CCC[NH2+]C2)C1 ZINC000062972388 385778600 /nfs/dbraw/zinc/77/86/00/385778600.db2.gz FKUCWYAIPALOHO-RYUDHWBXSA-N 1 3 239.363 0.539 10 0 BCAEHO [NH3+]CCN1CCNC[C@H]1c1ccc(CCO)cc1 ZINC000616635931 385818179 /nfs/dbraw/zinc/81/81/79/385818179.db2.gz NQKBYBGJSOZHJT-AWEZNQCLSA-N 1 3 249.358 0.126 10 0 BCAEHO CC[NH2+][C@@H](C)C(=O)N1CCN2CCC[C@@H]2C1 ZINC000638107346 385834529 /nfs/dbraw/zinc/83/45/29/385834529.db2.gz HPFHFRYDPMPVNY-WDEREUQCSA-N 1 3 225.336 0.291 10 0 BCAEHO Cn1nccc1CCN1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000310403584 386178663 /nfs/dbraw/zinc/17/86/63/386178663.db2.gz LELRWTNDILWMMS-DRZSPHRISA-N 1 3 234.347 0.632 10 0 BCAEHO CCC[C@H](N)C(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC000059931014 386463001 /nfs/dbraw/zinc/46/30/01/386463001.db2.gz DVDQUXFCLQZRHI-RYUDHWBXSA-N 1 3 241.379 0.962 10 0 BCAEHO CN(C)[C@H]1CCN(C(=O)[C@@H]2CCC[NH2+]C2)C1 ZINC000062972182 386534627 /nfs/dbraw/zinc/53/46/27/386534627.db2.gz PRQITFHJMDSCLR-MNOVXSKESA-N 1 3 225.336 0.149 10 0 BCAEHO CN(C)[C@H]1CCN(C(=O)C[NH2+]CC2CC2)C1 ZINC000062972196 386535614 /nfs/dbraw/zinc/53/56/14/386535614.db2.gz MDFATHABXDBJRH-NSHDSACASA-N 1 3 225.336 0.149 10 0 BCAEHO C[C@@H]([NH3+])CC(=O)N1CCN2CCC1CC2 ZINC000335462971 386547670 /nfs/dbraw/zinc/54/76/70/386547670.db2.gz IUBMYEQRLIWILE-SECBINFHSA-N 1 3 211.309 0.030 10 0 BCAEHO CC[NH+]1CCC(NC(=O)[C@H]2C[C@H](F)CN2)CC1 ZINC000335686855 386775193 /nfs/dbraw/zinc/77/51/93/386775193.db2.gz MZUHAFJULLLBFS-GXSJLCMTSA-N 1 3 243.326 0.287 10 0 BCAEHO C[C@@H](CN[C@@H](C)[C@H]1CCC[NH2+]C1)N(C)C ZINC000643454664 387384467 /nfs/dbraw/zinc/38/44/67/387384467.db2.gz LRHUIKTZOINDRN-SRVKXCTJSA-N 1 3 213.369 0.914 10 0 BCAEHO COC(=O)C(C)(C)CN[C@@H](C)[C@@H]1CC[NH2+]C1 ZINC000400716884 387581267 /nfs/dbraw/zinc/58/12/67/387581267.db2.gz NMJORRWVWSEUDW-VHSXEESVSA-N 1 3 228.336 0.773 10 0 BCAEHO C[C@@H]1NC(=O)CC[C@@H]1[NH2+]CC[C@H]1CCCN1C ZINC000440964811 387720726 /nfs/dbraw/zinc/72/07/26/387720726.db2.gz RRBVOLWVDRIZDJ-TUAOUCFPSA-N 1 3 239.363 0.727 10 0 BCAEHO C[C@@H]1NC(=O)CC[C@@H]1NCC[C@H]1CCC[N@@H+]1C ZINC000440964811 387720729 /nfs/dbraw/zinc/72/07/29/387720729.db2.gz RRBVOLWVDRIZDJ-TUAOUCFPSA-N 1 3 239.363 0.727 10 0 BCAEHO C[C@@H]1NC(=O)CC[C@@H]1NCC[C@H]1CCC[N@H+]1C ZINC000440964811 387720731 /nfs/dbraw/zinc/72/07/31/387720731.db2.gz RRBVOLWVDRIZDJ-TUAOUCFPSA-N 1 3 239.363 0.727 10 0 BCAEHO CN(C)[C@@H]1CCN(C(=O)[C@@]2(C)CCCC[NH2+]2)C1 ZINC000133443747 387800407 /nfs/dbraw/zinc/80/04/07/387800407.db2.gz RDJSHVBUEXULPC-DGCLKSJQSA-N 1 3 239.363 0.681 10 0 BCAEHO CC[C@H](C)[C@@H](N)C(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC000646533855 388377045 /nfs/dbraw/zinc/37/70/45/388377045.db2.gz JBMLYKNNMDNHBZ-SDDRHHMPSA-N 1 3 241.379 0.770 10 0 BCAEHO CC(C)[C@@H](N)C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000062972197 388658472 /nfs/dbraw/zinc/65/84/72/388658472.db2.gz MPULQAZKGXFYJC-VHSXEESVSA-N 1 3 213.325 0.132 10 0 BCAEHO C(CN1CCCC1)N[C@@H]1CCC[NH2+]CC1 ZINC000168709371 134246448 /nfs/dbraw/zinc/24/64/48/134246448.db2.gz TZJZWPDLXIEFGV-GFCCVEGCSA-N 1 3 211.353 0.814 10 0 BCAEHO C1CC1N1CC[C@H](N[C@@H]2CCC[NH2+]CC2)C1 ZINC000168742283 134248097 /nfs/dbraw/zinc/24/80/97/134248097.db2.gz XRAGHHIXYQXNAA-NEPJUHHUSA-N 1 3 223.364 0.955 10 0 BCAEHO C[C@H]1CN2CCCC[C@H]2CN1CCC[NH3+] ZINC000251536450 135070233 /nfs/dbraw/zinc/07/02/33/135070233.db2.gz AOFOYTMAOFSNAJ-RYUDHWBXSA-N 1 3 211.353 0.894 10 0 BCAEHO C[C@H]([NH3+])CN1C[C@@H]2CCCCN2C[C@H]1C ZINC000251769741 135076528 /nfs/dbraw/zinc/07/65/28/135076528.db2.gz MHYGERVDOAWTJG-TUAOUCFPSA-N 1 3 211.353 0.892 10 0 BCAEHO CN1CCO[C@H](CN[C@@H]2CCCC[C@H]2C[NH3+])C1 ZINC000252550687 135092340 /nfs/dbraw/zinc/09/23/40/135092340.db2.gz OXQHSYGMPZISFM-YNEHKIRRSA-N 1 3 241.379 0.424 10 0 BCAEHO CN1CCO[C@H](C[NH2+][C@@H]2CCCC[C@H]2CN)C1 ZINC000252550687 135092341 /nfs/dbraw/zinc/09/23/41/135092341.db2.gz OXQHSYGMPZISFM-YNEHKIRRSA-N 1 3 241.379 0.424 10 0 BCAEHO CC1(C)CN(C[C@H]2CCC[NH2+]C2)C[C@H]1O ZINC000261545441 135148001 /nfs/dbraw/zinc/14/80/01/135148001.db2.gz JZOBFWKSMRUWJX-WDEREUQCSA-N 1 3 212.337 0.689 10 0 BCAEHO CC1(C)C[N@H+](C[C@H]2CCCNC2)C[C@H]1O ZINC000261545441 135148002 /nfs/dbraw/zinc/14/80/02/135148002.db2.gz JZOBFWKSMRUWJX-WDEREUQCSA-N 1 3 212.337 0.689 10 0 BCAEHO CC1(C)C[N@@H+](C[C@H]2CCCNC2)C[C@H]1O ZINC000261545441 135148004 /nfs/dbraw/zinc/14/80/04/135148004.db2.gz JZOBFWKSMRUWJX-WDEREUQCSA-N 1 3 212.337 0.689 10 0 BCAEHO OCC[C@H]1CCC[N@@H+]1C[C@H]1CCCNC1 ZINC000261531680 135160868 /nfs/dbraw/zinc/16/08/68/135160868.db2.gz HMANIGICZFCQKF-NWDGAFQWSA-N 1 3 212.337 0.833 10 0 BCAEHO OCC[C@H]1CCC[N@H+]1C[C@H]1CCCNC1 ZINC000261531680 135160869 /nfs/dbraw/zinc/16/08/69/135160869.db2.gz HMANIGICZFCQKF-NWDGAFQWSA-N 1 3 212.337 0.833 10 0 BCAEHO CCC[C@](C)(N)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000261533185 135164566 /nfs/dbraw/zinc/16/45/66/135164566.db2.gz AWDQSDAOVFFHIH-ONGXEEELSA-N 1 3 213.325 0.454 10 0 BCAEHO C[NH2+][C@@H](C)CNC(=O)C1(N)CCCCC1 ZINC000261540544 135179957 /nfs/dbraw/zinc/17/99/57/135179957.db2.gz FBWWYYWVMYJAFY-VIFPVBQESA-N 1 3 213.325 0.372 10 0 BCAEHO OC[C@H]1C[C@H](F)CN1CC1CC[NH2+]CC1 ZINC000261542064 135182522 /nfs/dbraw/zinc/18/25/22/135182522.db2.gz GLUUTHWRLKSJGJ-WDEREUQCSA-N 1 3 216.300 0.391 10 0 BCAEHO CC[C@@H]1CC[C@H](NC[C@@H]2C[NH2+]C[C@@H]2O)C1 ZINC000261549503 135188077 /nfs/dbraw/zinc/18/80/77/135188077.db2.gz ORYJVBVGLNCJAG-RHYQMDGZSA-N 1 3 212.337 0.735 10 0 BCAEHO CC[C@@H]1CC[C@H]([NH2+]C[C@@H]2CNC[C@@H]2O)C1 ZINC000261549503 135188079 /nfs/dbraw/zinc/18/80/79/135188079.db2.gz ORYJVBVGLNCJAG-RHYQMDGZSA-N 1 3 212.337 0.735 10 0 BCAEHO CC[C@@H]1CC[C@H](NC[C@@H]2C[NH2+]C[C@H]2O)C1 ZINC000261549502 135188755 /nfs/dbraw/zinc/18/87/55/135188755.db2.gz ORYJVBVGLNCJAG-NOOOWODRSA-N 1 3 212.337 0.735 10 0 BCAEHO CC[C@@H]1CC[C@H]([NH2+]C[C@@H]2CNC[C@H]2O)C1 ZINC000261549502 135188756 /nfs/dbraw/zinc/18/87/56/135188756.db2.gz ORYJVBVGLNCJAG-NOOOWODRSA-N 1 3 212.337 0.735 10 0 BCAEHO C[C@@H]([NH3+])CCNC(=O)C1(N)CCCCC1 ZINC000261551325 135190248 /nfs/dbraw/zinc/19/02/48/135190248.db2.gz QIMQTJUHFXJZCF-SECBINFHSA-N 1 3 213.325 0.502 10 0 BCAEHO C[C@@H]1[C@H]([NH3+])CCN1C(=O)[C@H]1CCCCN1 ZINC000261562327 135203753 /nfs/dbraw/zinc/20/37/53/135203753.db2.gz BFNXYOQBTDZJRA-OPRDCNLKSA-N 1 3 211.309 0.077 10 0 BCAEHO C[C@H]1[C@H]([NH3+])CCN1C(=O)[C@H]1CCCCN1 ZINC000261562319 135203878 /nfs/dbraw/zinc/20/38/78/135203878.db2.gz BFNXYOQBTDZJRA-IVZWLZJFSA-N 1 3 211.309 0.077 10 0 BCAEHO CC(C)C[C@H](N)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000261580281 135220657 /nfs/dbraw/zinc/22/06/57/135220657.db2.gz MWLONJVTEHMLLS-VHSXEESVSA-N 1 3 213.325 0.213 10 0 BCAEHO CCOCCN1CCN(CC[NH3+])C[C@H]1CC ZINC000261583571 135223953 /nfs/dbraw/zinc/22/39/53/135223953.db2.gz PEBNJEBCJCMMMX-GFCCVEGCSA-N 1 3 229.368 0.378 10 0 BCAEHO [NH3+][C@@H]1CC[C@@H]2CN(CCn3cccn3)C[C@H]12 ZINC000261596341 135235633 /nfs/dbraw/zinc/23/56/33/135235633.db2.gz YSTCXAHQPZTVRL-GRYCIOLGSA-N 1 3 220.320 0.552 10 0 BCAEHO [NH3+][C@@H]1CC[C@@H]2CN(CCn3cccn3)C[C@@H]12 ZINC000261596343 135235648 /nfs/dbraw/zinc/23/56/48/135235648.db2.gz YSTCXAHQPZTVRL-IJLUTSLNSA-N 1 3 220.320 0.552 10 0 BCAEHO O[C@@H]1CNC[C@H]1C[NH2+]C1CCCCCC1 ZINC000261546621 135239511 /nfs/dbraw/zinc/23/95/11/135239511.db2.gz LBWIVCBZVPJDIX-CMPLNLGQSA-N 1 3 212.337 0.879 10 0 BCAEHO O[C@@H]1C[NH2+]C[C@H]1CNC1CCCCCC1 ZINC000261546621 135239512 /nfs/dbraw/zinc/23/95/12/135239512.db2.gz LBWIVCBZVPJDIX-CMPLNLGQSA-N 1 3 212.337 0.879 10 0 BCAEHO O[C@H]1CNC[C@H]1C[NH2+]C1CCCCCC1 ZINC000261546622 135239660 /nfs/dbraw/zinc/23/96/60/135239660.db2.gz LBWIVCBZVPJDIX-JQWIXIFHSA-N 1 3 212.337 0.879 10 0 BCAEHO O[C@H]1C[NH2+]C[C@H]1CNC1CCCCCC1 ZINC000261546622 135239662 /nfs/dbraw/zinc/23/96/62/135239662.db2.gz LBWIVCBZVPJDIX-JQWIXIFHSA-N 1 3 212.337 0.879 10 0 BCAEHO CC1CCC(NC[C@@H]2C[NH2+]C[C@H]2O)CC1 ZINC000261548166 135241844 /nfs/dbraw/zinc/24/18/44/135241844.db2.gz NFEGUNRHTPAEJG-POSLAHMBSA-N 1 3 212.337 0.735 10 0 BCAEHO CC1CCC([NH2+]C[C@@H]2CNC[C@H]2O)CC1 ZINC000261548166 135241845 /nfs/dbraw/zinc/24/18/45/135241845.db2.gz NFEGUNRHTPAEJG-POSLAHMBSA-N 1 3 212.337 0.735 10 0 BCAEHO C[C@@H](CO)N1CCCN(CC(C)(C)[NH3+])CC1 ZINC000261747459 135249923 /nfs/dbraw/zinc/24/99/23/135249923.db2.gz BXBKUCDDRRBTNY-NSHDSACASA-N 1 3 229.368 0.112 10 0 BCAEHO O=C1C[C@@]2(CCN(C[C@@H]3CCC[NH2+]C3)C2)CN1 ZINC000261758801 135251032 /nfs/dbraw/zinc/25/10/32/135251032.db2.gz CSQPXQXQOZWOPW-YPMHNXCESA-N 1 3 237.347 0.198 10 0 BCAEHO O=C1C[C@@]2(CC[N@H+](C[C@@H]3CCCNC3)C2)CN1 ZINC000261758801 135251033 /nfs/dbraw/zinc/25/10/33/135251033.db2.gz CSQPXQXQOZWOPW-YPMHNXCESA-N 1 3 237.347 0.198 10 0 BCAEHO O=C1C[C@@]2(CC[N@@H+](C[C@@H]3CCCNC3)C2)CN1 ZINC000261758801 135251035 /nfs/dbraw/zinc/25/10/35/135251035.db2.gz CSQPXQXQOZWOPW-YPMHNXCESA-N 1 3 237.347 0.198 10 0 BCAEHO O[C@@H]1C[NH2+]C[C@@H]1CNC1Cc2ccccc2C1 ZINC000262093760 135278291 /nfs/dbraw/zinc/27/82/91/135278291.db2.gz HLDGHZPEPCSPNF-TZMCWYRMSA-N 1 3 232.327 0.324 10 0 BCAEHO O[C@H]1C[NH2+]C[C@H]1CNC1Cc2ccccc2C1 ZINC000262093755 135278386 /nfs/dbraw/zinc/27/83/86/135278386.db2.gz HLDGHZPEPCSPNF-JSGCOSHPSA-N 1 3 232.327 0.324 10 0 BCAEHO CC(C)(C)[C@H](N)C(=O)N[C@@H]1CCC[C@@H]1C[NH3+] ZINC000262562631 135306204 /nfs/dbraw/zinc/30/62/04/135306204.db2.gz AIMUKEUQXOERLN-OPRDCNLKSA-N 1 3 227.352 0.603 10 0 BCAEHO CC[C@H](C)[C@@H](N)C(=O)NCC([NH3+])(CC)CC ZINC000262660617 135311805 /nfs/dbraw/zinc/31/18/05/135311805.db2.gz ZAYAFSBXNMUJHY-VHSXEESVSA-N 1 3 229.368 0.994 10 0 BCAEHO CC1CCC(CNC[C@@H]2C[NH2+]C[C@@H]2O)CC1 ZINC000263107102 135333780 /nfs/dbraw/zinc/33/37/80/135333780.db2.gz AAHLXXABQJKXAO-TUUUFIMRSA-N 1 3 226.364 0.983 10 0 BCAEHO CC1CCC(C[NH2+]C[C@@H]2CNC[C@@H]2O)CC1 ZINC000263107102 135333781 /nfs/dbraw/zinc/33/37/81/135333781.db2.gz AAHLXXABQJKXAO-TUUUFIMRSA-N 1 3 226.364 0.983 10 0 BCAEHO C[C@@H]1CC[C@H](NC[C@@H]2C[NH2+]C[C@@H]2O)C[C@H]1C ZINC000263154553 135336286 /nfs/dbraw/zinc/33/62/86/135336286.db2.gz DGNVAAJTQMFVKB-BNDIWNMDSA-N 1 3 226.364 0.981 10 0 BCAEHO C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CNC[C@@H]2O)C[C@H]1C ZINC000263154553 135336287 /nfs/dbraw/zinc/33/62/87/135336287.db2.gz DGNVAAJTQMFVKB-BNDIWNMDSA-N 1 3 226.364 0.981 10 0 BCAEHO C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CNC[C@H]2O)[C@H](C)C1 ZINC000263197154 135338789 /nfs/dbraw/zinc/33/87/89/135338789.db2.gz IPCKRBYZGJCCMY-NAWOPXAZSA-N 1 3 226.364 0.981 10 0 BCAEHO C[C@H](CNC[C@@H]1C[NH2+]C[C@@H]1O)c1ccccc1 ZINC000263215023 135340325 /nfs/dbraw/zinc/34/03/25/135340325.db2.gz KTUYKMSAGPXNAY-BNOWGMLFSA-N 1 3 234.343 0.960 10 0 BCAEHO C[C@H]1CCCN(CCNC(=O)C2C[NH2+]C2)C1 ZINC000263238046 135342054 /nfs/dbraw/zinc/34/20/54/135342054.db2.gz BXDBXUXIGNLZRF-JTQLQIEISA-N 1 3 225.336 0.054 10 0 BCAEHO C[NH2+][C@H](C)C(=O)N(CCN(C)C)C1CCCC1 ZINC000054075524 322855126 /nfs/dbraw/zinc/85/51/26/322855126.db2.gz IYSCQBOITGSOAQ-LLVKDONJSA-N 1 3 241.379 0.927 10 0 BCAEHO CN[C@H](C)C(=O)NCCC[NH+]1CCCCC1 ZINC000054071950 322855158 /nfs/dbraw/zinc/85/51/58/322855158.db2.gz BMBZOQGJORQEPX-LLVKDONJSA-N 1 3 227.352 0.587 10 0 BCAEHO CC(C)C[C@@H](N)C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000037812628 398023576 /nfs/dbraw/zinc/02/35/76/398023576.db2.gz UENIESDXHFWBSB-VXGBXAGGSA-N 1 3 239.363 0.666 10 0 BCAEHO CC(C)C[C@@H](N)C(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000037812628 398023580 /nfs/dbraw/zinc/02/35/80/398023580.db2.gz UENIESDXHFWBSB-VXGBXAGGSA-N 1 3 239.363 0.666 10 0 BCAEHO CCN1CC[C@@H](NC[C@H](O)C[NH+]2CCCC2)C1 ZINC000389214690 398051126 /nfs/dbraw/zinc/05/11/26/398051126.db2.gz CMAJTGCAMHDQQW-OLZOCXBDSA-N 1 3 241.379 0.127 10 0 BCAEHO CCN1CC[C@H](N2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)C1=O ZINC000662265795 409559974 /nfs/dbraw/zinc/55/99/74/409559974.db2.gz IOOSESDSIFEJSY-USZNOCQGSA-N 1 3 237.347 0.276 10 0 BCAEHO COC[C@H](CN1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1)OC ZINC000662267109 409569117 /nfs/dbraw/zinc/56/91/17/409569117.db2.gz SBHIAULEBZEABD-NNYUYHANSA-N 1 3 228.336 0.317 10 0 BCAEHO C[C@H]([NH3+])CC(=O)N1CCN2CCC[C@H]2C1 ZINC000251454436 410462691 /nfs/dbraw/zinc/46/26/91/410462691.db2.gz CAWYNTUZRKEPGG-UWVGGRQHSA-N 1 3 211.309 0.030 10 0 BCAEHO CC(C)[C@@H](CN(C)C)NC(=O)[C@](C)([NH3+])C1CC1 ZINC000049221232 167395855 /nfs/dbraw/zinc/39/58/55/167395855.db2.gz LTOUTFUNZCVIDU-DGCLKSJQSA-N 1 3 241.379 0.816 10 0 BCAEHO CC(C)[C@H]1CN([C@@H]2CC[NH2+]C2)CCN1C ZINC000108357019 411144241 /nfs/dbraw/zinc/14/42/41/411144241.db2.gz WYMRAFXCVVUKKI-VXGBXAGGSA-N 1 3 211.353 0.620 10 0 BCAEHO CCC[C@H](N)C(=O)N[C@H]1CC[NH2+][C@H](C)C1 ZINC000309734860 411219125 /nfs/dbraw/zinc/21/91/25/411219125.db2.gz CBROHIVQQBANLY-UTLUCORTSA-N 1 3 213.325 0.371 10 0 BCAEHO CC[C@H](N)C(=O)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000309812879 411258628 /nfs/dbraw/zinc/25/86/28/411258628.db2.gz UPYZJKCZPIUGQW-WPXGONGXSA-N 1 3 211.309 0.123 10 0 BCAEHO CC1(CNC[C@@H](O)C[NH+]2CCCCC2)COC1 ZINC000336668362 168041973 /nfs/dbraw/zinc/04/19/73/168041973.db2.gz AHPOUOUHWCTMAF-GFCCVEGCSA-N 1 3 242.363 0.459 10 0 BCAEHO CCN1CCN(CC[NH2+]C[C@H]2CCCO2)CC1 ZINC000041285638 169991636 /nfs/dbraw/zinc/99/16/36/169991636.db2.gz FFXBECBELKKTTO-CYBMUJFWSA-N 1 3 241.379 0.393 10 0 BCAEHO CC[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCCCN2)C1 ZINC000157209279 170015245 /nfs/dbraw/zinc/01/52/45/170015245.db2.gz LTJCCLCXRPBKSN-VXGBXAGGSA-N 1 3 239.363 0.587 10 0 BCAEHO CC[N@H+]1CC[C@H](CNC(=O)[C@H]2CCCCN2)C1 ZINC000157209279 170015246 /nfs/dbraw/zinc/01/52/46/170015246.db2.gz LTJCCLCXRPBKSN-VXGBXAGGSA-N 1 3 239.363 0.587 10 0 BCAEHO CCNC(=O)[C@H](C)[NH2+][C@H](C)[C@@H]1CCCN(C)C1 ZINC000036794717 170095609 /nfs/dbraw/zinc/09/56/09/170095609.db2.gz CLGLQNBIMAWYHA-GRYCIOLGSA-N 1 3 241.379 0.831 10 0 BCAEHO CC[NH2+][C@@H](C)CC(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000061274404 170138955 /nfs/dbraw/zinc/13/89/55/170138955.db2.gz TWJZHBRRVYFPRG-WDEREUQCSA-N 1 3 239.363 0.727 10 0 BCAEHO CC[NH2+][C@@H](C)CC(=O)N[C@H]1CN2CCC1CC2 ZINC000061269071 170139174 /nfs/dbraw/zinc/13/91/74/170139174.db2.gz JMLIPWCYNPXVFF-JQWIXIFHSA-N 1 3 239.363 0.585 10 0 BCAEHO CC[NH2+][C@@H](C)CC(=O)N1CCC[C@H]1CN(C)C ZINC000061644814 170139179 /nfs/dbraw/zinc/13/91/79/170139179.db2.gz UINBFDPLWMGXDI-RYUDHWBXSA-N 1 3 241.379 0.927 10 0 BCAEHO CC[NH2+][C@@H](C)C1CCN(CC(=O)N(C)C)CC1 ZINC000104420314 170139414 /nfs/dbraw/zinc/13/94/14/170139414.db2.gz LNXPQOGPSCIOND-NSHDSACASA-N 1 3 241.379 0.785 10 0 BCAEHO CC[NH2+][C@H](C)CC(=O)N1CCC[C@@H]1CN(C)C ZINC000061644807 170156742 /nfs/dbraw/zinc/15/67/42/170156742.db2.gz UINBFDPLWMGXDI-VXGBXAGGSA-N 1 3 241.379 0.927 10 0 BCAEHO CCOCCCN1CCN(CCCC[NH3+])CC1 ZINC000087324965 170373995 /nfs/dbraw/zinc/37/39/95/170373995.db2.gz UVEOSRKRGZGBFE-UHFFFAOYSA-N 1 3 243.395 0.770 10 0 BCAEHO CCOCCN1CCCN(C[C@@H](C)C[NH3+])CC1 ZINC000035358891 170397909 /nfs/dbraw/zinc/39/79/09/170397909.db2.gz FQYUKQVYNFCKIG-ZDUSSCGKSA-N 1 3 243.395 0.625 10 0 BCAEHO CC[C@H](C)NCC(=O)N[C@H]1CC[N@@H+]2CCC[C@H]12 ZINC000037617130 171338794 /nfs/dbraw/zinc/33/87/94/171338794.db2.gz SHAXEGUCBBUFRX-SDDRHHMPSA-N 1 3 239.363 0.727 10 0 BCAEHO CC[C@H](C)NCC(=O)N[C@H]1CC[N@H+]2CCC[C@H]12 ZINC000037617130 171338795 /nfs/dbraw/zinc/33/87/95/171338795.db2.gz SHAXEGUCBBUFRX-SDDRHHMPSA-N 1 3 239.363 0.727 10 0 BCAEHO CC[C@H](C)[NH2+]CC(=O)N[C@H]1CCN2CCC[C@H]12 ZINC000037617130 171338797 /nfs/dbraw/zinc/33/87/97/171338797.db2.gz SHAXEGUCBBUFRX-SDDRHHMPSA-N 1 3 239.363 0.727 10 0 BCAEHO CC[C@@H]([NH2+]C)C(=O)N1CCN2CCC[C@@H]2C1 ZINC000662448956 412178229 /nfs/dbraw/zinc/17/82/29/412178229.db2.gz RGRGZIBYTSIXKB-GHMZBOCLSA-N 1 3 225.336 0.291 10 0 BCAEHO COC[C@@H](CC[NH2+][C@@H]1CCCNCC1)OC ZINC000665235220 412173975 /nfs/dbraw/zinc/17/39/75/412173975.db2.gz SCZAZTCHUSWTHB-VXGBXAGGSA-N 1 3 230.352 0.770 10 0 BCAEHO COC[C@H](CC[NH2+][C@H]1CCCNCC1)OC ZINC000665235219 412174197 /nfs/dbraw/zinc/17/41/97/412174197.db2.gz SCZAZTCHUSWTHB-RYUDHWBXSA-N 1 3 230.352 0.770 10 0 BCAEHO CC(C)C[C@H](CN(C)C)NC(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000662684700 412271101 /nfs/dbraw/zinc/27/11/01/412271101.db2.gz HCAFVGYRTZNIIU-IJLUTSLNSA-N 1 3 241.379 0.816 10 0 BCAEHO CCN1CCC[C@@H]1CN(C)C(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000662723912 412284613 /nfs/dbraw/zinc/28/46/13/412284613.db2.gz JQSCXYHICAVJGV-IJLUTSLNSA-N 1 3 239.363 0.666 10 0 BCAEHO CC(C)(C)N1CC[C@H](NC(=O)[C@H]2CC[NH2+]C2)C1 ZINC000662621815 412244426 /nfs/dbraw/zinc/24/44/26/412244426.db2.gz LTTBJYAODDUCIR-QWRGUYRKSA-N 1 3 239.363 0.585 10 0 BCAEHO CCC[C@@H](N)C(=O)NCC[C@@H](C)[NH+](C)C ZINC000662633637 412251796 /nfs/dbraw/zinc/25/17/96/412251796.db2.gz MZRMRTCZVHPTKU-NXEZZACHSA-N 1 3 215.341 0.570 10 0 BCAEHO Cc1cc(NCc2nc(C[NH3+])cc(=O)[n-]2)cc[nH+]1 ZINC000663277505 412406808 /nfs/dbraw/zinc/40/68/08/412406808.db2.gz RFGJAMVZHNYVJC-UHFFFAOYSA-N 1 3 245.286 0.378 10 0 BCAEHO CN(C1CCN(C)CC1)[C@@H]1CCC[NH2+]C1 ZINC000037246771 172987956 /nfs/dbraw/zinc/98/79/56/172987956.db2.gz NBECUEYRRYHQHX-GFCCVEGCSA-N 1 3 211.353 0.764 10 0 BCAEHO CN1CCCN(CC[C@@H]2CCC[NH2+]2)CC1 ZINC000042171928 173015397 /nfs/dbraw/zinc/01/53/97/173015397.db2.gz RXWYKSYCIHNMFV-LBPRGKRZSA-N 1 3 211.353 0.766 10 0 BCAEHO CN1CCC[C@@H]1CNC(=O)[C@H]1CCC[NH2+]C1 ZINC000226083182 173031641 /nfs/dbraw/zinc/03/16/41/173031641.db2.gz DCNSTDOTIQHMRO-WDEREUQCSA-N 1 3 225.336 0.196 10 0 BCAEHO CN1CCN(C[C@@H](O)c2ccc(C[NH3+])cc2)CC1 ZINC000037049792 173085808 /nfs/dbraw/zinc/08/58/08/173085808.db2.gz BDCWPWGFNKPARB-CQSZACIVSA-N 1 3 249.358 0.426 10 0 BCAEHO CN1CCN([C@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000037157163 173095750 /nfs/dbraw/zinc/09/57/50/173095750.db2.gz BHTFXWJZHCTUNF-NEPJUHHUSA-N 1 3 211.353 0.751 10 0 BCAEHO C[N@@H+]1CC[C@@H](CNC[C@H](O)COC(C)(C)C)C1 ZINC000037894107 173114137 /nfs/dbraw/zinc/11/41/37/173114137.db2.gz DYDAWUGIQFYDRI-RYUDHWBXSA-N 1 3 244.379 0.704 10 0 BCAEHO C[N@H+]1CC[C@@H](CNC[C@H](O)COC(C)(C)C)C1 ZINC000037894107 173114139 /nfs/dbraw/zinc/11/41/39/173114139.db2.gz DYDAWUGIQFYDRI-RYUDHWBXSA-N 1 3 244.379 0.704 10 0 BCAEHO CN1CC[C@@H](NC(=O)C2(C[NH3+])CCCC2)C1 ZINC000044763520 173122459 /nfs/dbraw/zinc/12/24/59/173122459.db2.gz AKAZJWHQPMNIRB-SNVBAGLBSA-N 1 3 225.336 0.326 10 0 BCAEHO CN1CC[C@@H](NC(=O)c2cccc(C[NH3+])c2)C1 ZINC000042543699 173124863 /nfs/dbraw/zinc/12/48/63/173124863.db2.gz GHCFCHITAYFAFV-GFCCVEGCSA-N 1 3 233.315 0.579 10 0 BCAEHO CN(C[C@@H]1CCCO1)[C@]1(CN)CC[N@H+](C)C1 ZINC000061990484 173135037 /nfs/dbraw/zinc/13/50/37/173135037.db2.gz LZRGXBVCOFRPEB-RYUDHWBXSA-N 1 3 227.352 0.130 10 0 BCAEHO CN(C[C@@H]1CCCO1)[C@]1(CN)CC[N@@H+](C)C1 ZINC000061990484 173135040 /nfs/dbraw/zinc/13/50/40/173135040.db2.gz LZRGXBVCOFRPEB-RYUDHWBXSA-N 1 3 227.352 0.130 10 0 BCAEHO CN1CC[C@H](NC(=O)C2(C[NH3+])CCCC2)C1 ZINC000044763519 173150767 /nfs/dbraw/zinc/15/07/67/173150767.db2.gz AKAZJWHQPMNIRB-JTQLQIEISA-N 1 3 225.336 0.326 10 0 BCAEHO CN(CC(C)(C)C)[C@@]1(C[NH3+])CCN(C)C1 ZINC000061990721 173163746 /nfs/dbraw/zinc/16/37/46/173163746.db2.gz NSUHYOUHXMIMSS-GFCCVEGCSA-N 1 3 213.369 0.997 10 0 BCAEHO CNC(=O)C1CCN([C@H](C)CC[NH3+])CC1 ZINC000041042620 173223781 /nfs/dbraw/zinc/22/37/81/173223781.db2.gz XVMXMCAUQZXHPT-SECBINFHSA-N 1 3 213.325 0.182 10 0 BCAEHO CNC(=O)C[NH2+][C@@H](C)[C@@H]1CCCN(C)C1 ZINC000037224638 173277728 /nfs/dbraw/zinc/27/77/28/173277728.db2.gz ZMPNSWAFDMOSMO-VHSXEESVSA-N 1 3 213.325 0.052 10 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239.363 0.714 10 0 BCAEHO CC(C)[C@@H]([NH3+])CC(=O)N1CCC[C@@H](N(C)C)C1 ZINC000136479877 488180712 /nfs/dbraw/zinc/18/07/12/488180712.db2.gz QDGZHMMDUDRCCP-NEPJUHHUSA-N 1 3 241.379 0.912 10 0 BCAEHO CCN1CCC[C@H](NC(=O)C[NH2+]C(C)C)C1 ZINC000040503654 490438721 /nfs/dbraw/zinc/43/87/21/490438721.db2.gz XUOKNSOQUZFNPN-NSHDSACASA-N 1 3 227.352 0.585 10 0 BCAEHO C1Cc2n[nH]c(C3CC[NH2+]CC3)c2CN1 ZINC000757168158 582549646 /nfs/dbraw/zinc/54/96/46/582549646.db2.gz AEZBEZSKVSGBKW-UHFFFAOYSA-N 1 3 206.293 0.522 10 0 BCAEHO C1Cc2[nH]nc(C3CC[NH2+]CC3)c2CN1 ZINC000757168158 582549648 /nfs/dbraw/zinc/54/96/48/582549648.db2.gz AEZBEZSKVSGBKW-UHFFFAOYSA-N 1 3 206.293 0.522 10 0 BCAEHO CCN(CC)CCN[C@@H](C)[C@H]1CC[NH2+]C1 ZINC000400334664 528138147 /nfs/dbraw/zinc/13/81/47/528138147.db2.gz CXCDJVXWAVGCAL-RYUDHWBXSA-N 1 3 213.369 0.916 10 0 BCAEHO CCN1CCCC[C@H]1CNC(=O)C1C[NH2+]C1 ZINC000263314944 535504260 /nfs/dbraw/zinc/50/42/60/535504260.db2.gz QBYSPRNLJOWQLB-NSHDSACASA-N 1 3 225.336 0.196 10 0 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LULKURQZZRDSQR-VWYCJHECSA-N 1 3 225.336 0.324 10 0 BCAEHO CN1CCC[C@H]1CNC(=O)CC[C@H]1CCC[NH2+]1 ZINC000261541549 536391303 /nfs/dbraw/zinc/39/13/03/536391303.db2.gz BHQAISVPGMWZLQ-NEPJUHHUSA-N 1 3 239.363 0.729 10 0 BCAEHO CC(C)([NH3+])CC(=O)Nc1ccnn1C1CNC1 ZINC000725258033 566304093 /nfs/dbraw/zinc/30/40/93/566304093.db2.gz DHDBDEXVBCBTBX-UHFFFAOYSA-N 1 3 237.307 0.093 10 0 BCAEHO CC[C@H](C)[NH2+]C[C@]12C[C@@]1(C(=O)OC)CNC2 ZINC000675073979 566454288 /nfs/dbraw/zinc/45/42/88/566454288.db2.gz PAEGXDGNEQUALQ-WCQGTBRESA-N 1 3 226.320 0.527 10 0 BCAEHO CC[C@H](C)NC[C@]12C[C@@]1(C(=O)OC)C[NH2+]C2 ZINC000675073979 566454292 /nfs/dbraw/zinc/45/42/92/566454292.db2.gz PAEGXDGNEQUALQ-WCQGTBRESA-N 1 3 226.320 0.527 10 0 BCAEHO CCN1CCC2(CC1)[NH2+]CC[C@]1(CCOC1)O2 ZINC000757150016 582534141 /nfs/dbraw/zinc/53/41/41/582534141.db2.gz WPXYLOQBOCWDJQ-GFCCVEGCSA-N 1 3 240.347 0.967 10 0 BCAEHO COC(=O)[C@@H]1CCN[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000757206736 586437635 /nfs/dbraw/zinc/43/76/35/586437635.db2.gz AJIBQGJYXOXPND-VWYCJHECSA-N 1 3 226.320 0.527 10 0 BCAEHO Cc1ccc(N)cc1[C@@H]1CNC[C@@H]([NH3+])C1 ZINC000757237579 586443982 /nfs/dbraw/zinc/44/39/82/586443982.db2.gz QGEZXEFANQUHAQ-ONGXEEELSA-N 1 3 205.305 0.981 10 0 BCAEHO C[C@@H](CCO)NC[C@H](O)C[NH+]1CCCCC1 ZINC000309490369 632419387 /nfs/dbraw/zinc/41/93/87/632419387.db2.gz YBJNVYWXZHOQGO-RYUDHWBXSA-N 1 3 230.352 0.194 10 0 BCAEHO CCC[C@H](N)C(=O)N1CCCC[C@@H]1C[NH3+] ZINC000236800720 633842035 /nfs/dbraw/zinc/84/20/35/633842035.db2.gz KPFCKXWBZCICJS-ZJUUUORDSA-N 1 3 213.325 0.454 10 0 BCAEHO CC[C@H](O)CN(C)[C@@H]1CCC[NH2+]CC1 ZINC000226465639 640767928 /nfs/dbraw/zinc/76/79/28/640767928.db2.gz OMQFGQKGTARFOC-MNOVXSKESA-N 1 3 200.326 0.831 10 0 BCAEHO CC(C)N(C)C[C@H](O)C[N@@H+]1C[C@H](C)C[C@@H](O)C1 ZINC000401599191 640967137 /nfs/dbraw/zinc/96/71/37/640967137.db2.gz YGQZMLCAPAZOAJ-UPJWGTAASA-N 1 3 244.379 0.390 10 0 BCAEHO CC(C)N(C)C[C@H](O)C[N@H+]1C[C@H](C)C[C@@H](O)C1 ZINC000401599191 640967139 /nfs/dbraw/zinc/96/71/39/640967139.db2.gz YGQZMLCAPAZOAJ-UPJWGTAASA-N 1 3 244.379 0.390 10 0 BCAEHO C[NH+](C)[C@H]1CCN(c2ccnc(CO)c2)C1 ZINC000062967475 641111496 /nfs/dbraw/zinc/11/14/96/641111496.db2.gz WTOACTFHKQSTHZ-LBPRGKRZSA-N 1 3 221.304 0.714 10 0 BCAEHO CC(C)OC[C@H](O)CN1CC[C@H](C[NH3+])C1 ZINC000069660958 642893495 /nfs/dbraw/zinc/89/34/95/642893495.db2.gz KKOWWNGBLGCSNA-GHMZBOCLSA-N 1 3 216.325 0.053 10 0 BCAEHO CC(C)OC[C@@H](O)C[N@@H+]1CCNCCC1(C)C ZINC000712565358 712446287 /nfs/dbraw/zinc/44/62/87/712446287.db2.gz XKVIRGUVFAZDMV-LBPRGKRZSA-N 1 3 244.379 0.846 10 0 BCAEHO CC(C)OC[C@@H](O)C[N@H+]1CCNCCC1(C)C ZINC000712565358 712446288 /nfs/dbraw/zinc/44/62/88/712446288.db2.gz XKVIRGUVFAZDMV-LBPRGKRZSA-N 1 3 244.379 0.846 10 0 BCAEHO C[C@@H]1CN(CCO[C@H]2CCOC2)C[C@@H]1C[NH3+] ZINC000724945017 710750432 /nfs/dbraw/zinc/75/04/32/710750432.db2.gz WAAMRCVWVFTJON-WOPDTQHZSA-N 1 3 228.336 0.319 10 0 BCAEHO COC1CC(NC[C@@H](O)C[N@H+](C)C2CC2)C1 ZINC000380999633 710596693 /nfs/dbraw/zinc/59/66/93/710596693.db2.gz NTPYHHBAMCJULS-CKBZRRDASA-N 1 3 228.336 0.209 10 0 BCAEHO COC1CC(NC[C@@H](O)C[N@@H+](C)C2CC2)C1 ZINC000380999633 710596696 /nfs/dbraw/zinc/59/66/96/710596696.db2.gz NTPYHHBAMCJULS-CKBZRRDASA-N 1 3 228.336 0.209 10 0 BCAEHO CC(C)(C[NH2+]C1CCNCC1)CS(C)(=O)=O ZINC000723848412 711539062 /nfs/dbraw/zinc/53/90/62/711539062.db2.gz VMPUUONALOBWOQ-UHFFFAOYSA-N 1 3 248.392 0.399 10 0 BCAEHO CC(C)OC[C@@H](O)CN1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000723868588 711540841 /nfs/dbraw/zinc/54/08/41/711540841.db2.gz JNNKIZSLIPNYKR-UTUOFQBUSA-N 1 3 230.352 0.299 10 0 BCAEHO C[C@H](NC[C@H]1C[C@@H]2COC[C@@H]2O1)[C@H]1CC[NH2+]C1 ZINC000724586963 711595935 /nfs/dbraw/zinc/59/59/35/711595935.db2.gz QUDCMQUOYDZUEG-YYHQMBLXSA-N 1 3 240.347 0.378 10 0 BCAEHO [NH3+][C@@H]1CC[C@@H]2CN(CCO[C@H]3CCOC3)C[C@@H]12 ZINC000724919774 711628152 /nfs/dbraw/zinc/62/81/52/711628152.db2.gz AGYOJVPDEKJSGF-YVECIDJPSA-N 1 3 240.347 0.461 10 0 BCAEHO NCC(CN)[NH2+]C[C@H]1CCCCC1(F)F ZINC000710081423 712244771 /nfs/dbraw/zinc/24/47/71/712244771.db2.gz WYUHJLJMGBUWLW-MRVPVSSYSA-N 1 3 221.295 0.688 10 0 BCAEHO C[C@H](NC1CCC([NH3+])CC1)c1cn(C)nn1 ZINC000715916143 712384052 /nfs/dbraw/zinc/38/40/52/712384052.db2.gz XIWVQVCWMPBBES-IDKOKCKLSA-N 1 3 223.324 0.736 10 0 BCAEHO NC(=O)C1CC(N[C@@H]2C[C@@H]([NH3+])C23CCC3)C1 ZINC000716707936 712570268 /nfs/dbraw/zinc/57/02/68/712570268.db2.gz WMWXJFBXIFYCCR-YDYPAMBWSA-N 1 3 223.320 0.110 10 0 BCAEHO NC[C@@H]1CCCC[C@@H]1[NH2+]C1CC(C(N)=O)C1 ZINC000716772000 712572735 /nfs/dbraw/zinc/57/27/35/712572735.db2.gz XZRNURBBYMQLGV-PMUOWJKOSA-N 1 3 225.336 0.357 10 0 BCAEHO C[C@H](CCCC[NH3+])N[C@H](C)c1cn(C)nn1 ZINC000720585465 712854518 /nfs/dbraw/zinc/85/45/18/712854518.db2.gz XQMKIYSVPKQQHI-NXEZZACHSA-N 1 3 225.340 0.983 10 0 BCAEHO C[C@H](N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)c1cn(C)nn1 ZINC000720601652 712857506 /nfs/dbraw/zinc/85/75/06/712857506.db2.gz IJSBWVWXRYWDPH-FIQHERPVSA-N 1 3 249.362 0.854 10 0 BCAEHO C[NH2+]CCCC(=O)N1CC[C@H](N(C)C)C1 ZINC000062972427 349502944 /nfs/dbraw/zinc/50/29/44/349502944.db2.gz NDHDLGSFSYVPDF-JTQLQIEISA-N 1 3 213.325 0.149 10 0 BCAEHO CN(C(=O)[C@H]1CC[NH2+]C1)[C@H]1CN2CCC1CC2 ZINC000379786909 398166584 /nfs/dbraw/zinc/16/65/84/398166584.db2.gz ZNAZHEZRVYRLQP-RYUDHWBXSA-N 1 3 237.347 0.149 10 0 BCAEHO CN(C(=O)[C@@H]1CC[NH2+]C1)[C@H]1CN2CCC1CC2 ZINC000379786904 398166867 /nfs/dbraw/zinc/16/68/67/398166867.db2.gz ZNAZHEZRVYRLQP-NEPJUHHUSA-N 1 3 237.347 0.149 10 0 BCAEHO C[C@H]1CCSCC[N@@H+]1C[C@@H](O)CN ZINC000306642188 361758210 /nfs/dbraw/zinc/75/82/10/361758210.db2.gz RYLDKABUXWSVRP-IUCAKERBSA-N 1 3 204.339 0.133 10 0 BCAEHO C[C@H]1CCSCC[N@H+]1C[C@@H](O)CN ZINC000306642188 361758214 /nfs/dbraw/zinc/75/82/14/361758214.db2.gz RYLDKABUXWSVRP-IUCAKERBSA-N 1 3 204.339 0.133 10 0 BCAEHO C[C@H]1CCSCCN1C[C@@H](O)C[NH3+] ZINC000306642188 361758215 /nfs/dbraw/zinc/75/82/15/361758215.db2.gz RYLDKABUXWSVRP-IUCAKERBSA-N 1 3 204.339 0.133 10 0 BCAEHO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)[C@@H](N)C(C)C ZINC000092630193 398235633 /nfs/dbraw/zinc/23/56/33/398235633.db2.gz MPAIKBUXONYRDA-RYUDHWBXSA-N 1 3 241.379 0.912 10 0 BCAEHO CC[N@H+]1CCC[C@H]1CN(C)C(=O)[C@@H](N)C(C)C ZINC000092630193 398235636 /nfs/dbraw/zinc/23/56/36/398235636.db2.gz MPAIKBUXONYRDA-RYUDHWBXSA-N 1 3 241.379 0.912 10 0 BCAEHO Nc1ccncc1C(=O)[C@H]1C=C[C@@H]([NH3+])C1 ZINC000226561028 342829143 /nfs/dbraw/zinc/82/91/43/342829143.db2.gz KFZXFKJXJQWVMM-JGVFFNPUSA-N 1 3 203.245 0.750 10 0 BCAEHO CC[C@H](COC)N[C@@H](C)[C@H]1CC[NH2+]C1 ZINC000400554749 529398952 /nfs/dbraw/zinc/39/89/52/529398952.db2.gz YWBXJRXLODUZGI-GARJFASQSA-N 1 3 200.326 0.999 10 0 BCAEHO NCc1c([C@H]2CCCCO2)nnn1CCC[NH3+] ZINC000725269835 539027168 /nfs/dbraw/zinc/02/71/68/539027168.db2.gz ZWJJOEOWBBUXKB-SNVBAGLBSA-N 1 3 239.323 0.327 10 0 BCAEHO CN(C)CCNC(=O)C1CCC([NH3+])CC1 ZINC000037481631 398328305 /nfs/dbraw/zinc/32/83/05/398328305.db2.gz GOEUNGPAWZQVIG-UHFFFAOYSA-N 1 3 213.325 0.182 10 0 BCAEHO C[C@@H](CNC(=O)C1CCC([NH3+])CC1)N(C)C ZINC000038089222 398335921 /nfs/dbraw/zinc/33/59/21/398335921.db2.gz LSWJDLNXASQXCD-WHXUTIOJSA-N 1 3 227.352 0.570 10 0 BCAEHO C[C@H](CNC(=O)[C@H]1CC[C@H]([NH3+])C1)N1CCCC1 ZINC000161048765 343204194 /nfs/dbraw/zinc/20/41/94/343204194.db2.gz HFCLLZWKEAXCSJ-WOPDTQHZSA-N 1 3 239.363 0.714 10 0 BCAEHO CN1CCN(c2ncc(CN)s2)CC1 ZINC000039280003 343387804 /nfs/dbraw/zinc/38/78/04/343387804.db2.gz WGGLQQJFQMXTRB-UHFFFAOYSA-N 1 3 212.322 0.354 10 0 BCAEHO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)[C@H](C)N ZINC000086188865 343613941 /nfs/dbraw/zinc/61/39/41/343613941.db2.gz PZGFLEBUPBKANG-UWVGGRQHSA-N 1 3 213.325 0.276 10 0 BCAEHO CC[N@H+]1CCC[C@H]1CN(C)C(=O)[C@H](C)N ZINC000086188865 343613943 /nfs/dbraw/zinc/61/39/43/343613943.db2.gz PZGFLEBUPBKANG-UWVGGRQHSA-N 1 3 213.325 0.276 10 0 BCAEHO CCCN(CCO)C[C@@H]1CCC[NH2+]C1 ZINC000087647795 343656029 /nfs/dbraw/zinc/65/60/29/343656029.db2.gz GVKHYBPPVLEFJD-LLVKDONJSA-N 1 3 200.326 0.690 10 0 BCAEHO CCC[N@H+](CCO)C[C@@H]1CCCNC1 ZINC000087647795 343656030 /nfs/dbraw/zinc/65/60/30/343656030.db2.gz GVKHYBPPVLEFJD-LLVKDONJSA-N 1 3 200.326 0.690 10 0 BCAEHO CCC[N@@H+](CCO)C[C@@H]1CCCNC1 ZINC000087647795 343656031 /nfs/dbraw/zinc/65/60/31/343656031.db2.gz GVKHYBPPVLEFJD-LLVKDONJSA-N 1 3 200.326 0.690 10 0 BCAEHO C[NH+](C)[C@H]1CCN(C(=O)C2(N)CCC2)C1 ZINC000088051105 343698251 /nfs/dbraw/zinc/69/82/51/343698251.db2.gz APOKVRCHNOMBJJ-VIFPVBQESA-N 1 3 211.309 0.030 10 0 BCAEHO COC(=O)CCCC[N@H+]1C[C@H](N)[C@@H](C)C1 ZINC000600710276 344360817 /nfs/dbraw/zinc/36/08/17/344360817.db2.gz MZXVXJLUHIAZHD-UWVGGRQHSA-N 1 3 214.309 0.609 10 0 BCAEHO COC(=O)CCCC[N@@H+]1C[C@H](N)[C@@H](C)C1 ZINC000600710276 344360820 /nfs/dbraw/zinc/36/08/20/344360820.db2.gz MZXVXJLUHIAZHD-UWVGGRQHSA-N 1 3 214.309 0.609 10 0 BCAEHO CC(C)([NH3+])CN1CCN2CCCC[C@H]2C1 ZINC000250367854 192369758 /nfs/dbraw/zinc/36/97/58/192369758.db2.gz QTCWJRPGTWDMHA-NSHDSACASA-N 1 3 211.353 0.894 10 0 BCAEHO CCN1CCC[C@@H](NC(=O)[C@H](C)C[NH2+]C)C1 ZINC000245471142 345227905 /nfs/dbraw/zinc/22/79/05/345227905.db2.gz XHGNUQGKZWXOPJ-GHMZBOCLSA-N 1 3 227.352 0.442 10 0 BCAEHO CN([C@H]1CCC[NH2+]CC1)C(C)(C)CO ZINC000228852536 345408472 /nfs/dbraw/zinc/40/84/72/345408472.db2.gz TXNFQKCFCSLTQN-JTQLQIEISA-N 1 3 200.326 0.831 10 0 BCAEHO C[N@H+]([C@H]1CCCNCC1)C(C)(C)CO ZINC000228852536 345408473 /nfs/dbraw/zinc/40/84/73/345408473.db2.gz TXNFQKCFCSLTQN-JTQLQIEISA-N 1 3 200.326 0.831 10 0 BCAEHO C[N@@H+]([C@H]1CCCNCC1)C(C)(C)CO ZINC000228852536 345408476 /nfs/dbraw/zinc/40/84/76/345408476.db2.gz TXNFQKCFCSLTQN-JTQLQIEISA-N 1 3 200.326 0.831 10 0 BCAEHO CC(C)N(C)CC(=O)NCC[C@@H](C)[NH3+] ZINC000178618520 534996764 /nfs/dbraw/zinc/99/67/64/534996764.db2.gz DSRBCHQOUNTYKS-SECBINFHSA-N 1 3 201.314 0.180 10 0 BCAEHO C[C@H]1C[NH2+]CCN1Cc1cncc(CN)c1 ZINC000669379147 537975136 /nfs/dbraw/zinc/97/51/36/537975136.db2.gz UNUNFZGEFZRSQH-JTQLQIEISA-N 1 3 220.320 0.334 10 0 BCAEHO CN1CCC(C(=O)N[C@H]2CC[C@@H]([NH3+])CC2)CC1 ZINC000616571066 348095999 /nfs/dbraw/zinc/09/59/99/348095999.db2.gz DUJLNZCPVJONEO-TXEJJXNPSA-N 1 3 239.363 0.714 10 0 BCAEHO CC(C)[C@H](O)CN[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000563880543 323182687 /nfs/dbraw/zinc/18/26/87/323182687.db2.gz UREKNNLMBMMPIC-GRYCIOLGSA-N 1 3 214.353 0.981 10 0 BCAEHO CC(C)[C@H](O)C[NH2+][C@H](C)[C@H]1CCCNC1 ZINC000563880543 323182688 /nfs/dbraw/zinc/18/26/88/323182688.db2.gz UREKNNLMBMMPIC-GRYCIOLGSA-N 1 3 214.353 0.981 10 0 BCAEHO CC[NH+](CC)CCCNC(=O)[C@@H](C)NC ZINC000054071664 348874200 /nfs/dbraw/zinc/87/42/00/348874200.db2.gz RIJHKNFGOCEBBZ-SNVBAGLBSA-N 1 3 215.341 0.442 10 0 BCAEHO CN[C@H](C)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000054074463 348889306 /nfs/dbraw/zinc/88/93/06/348889306.db2.gz DAKCGJDQNXMKIX-NXEZZACHSA-N 1 3 225.336 0.195 10 0 BCAEHO CN[C@H](C)C(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000054074463 348889309 /nfs/dbraw/zinc/88/93/09/348889309.db2.gz DAKCGJDQNXMKIX-NXEZZACHSA-N 1 3 225.336 0.195 10 0 BCAEHO CC[N@@H+]1CC[C@@H](CNC(=O)[C@@H](C)NC)C1 ZINC000054074449 348889616 /nfs/dbraw/zinc/88/96/16/348889616.db2.gz PRYYJHYAMLSLIS-ZJUUUORDSA-N 1 3 213.325 0.052 10 0 BCAEHO CC[N@H+]1CC[C@@H](CNC(=O)[C@@H](C)NC)C1 ZINC000054074449 348889619 /nfs/dbraw/zinc/88/96/19/348889619.db2.gz PRYYJHYAMLSLIS-ZJUUUORDSA-N 1 3 213.325 0.052 10 0 BCAEHO CN(C)CCNC(=O)C[C@@H]1CCC[NH2+]C1 ZINC000054290490 348962088 /nfs/dbraw/zinc/96/20/88/348962088.db2.gz SMQDTLNQKRVNBF-JTQLQIEISA-N 1 3 213.325 0.054 10 0 BCAEHO N[C@H](C(=O)Nc1ccnn1C1C[NH2+]C1)C1CCC1 ZINC000725258462 538074879 /nfs/dbraw/zinc/07/48/79/538074879.db2.gz PWKAUTFATKKVOR-NSHDSACASA-N 1 3 249.318 0.093 10 0 BCAEHO CCC[C@H](N)C(=O)Nc1ccnn1C1C[NH2+]C1 ZINC000725258523 538076189 /nfs/dbraw/zinc/07/61/89/538076189.db2.gz RFMZJEMUROLRKP-VIFPVBQESA-N 1 3 237.307 0.093 10 0 BCAEHO CNC1(C(=O)Nc2ccnn2C2C[NH2+]C2)CCC1 ZINC000725258864 538077334 /nfs/dbraw/zinc/07/73/34/538077334.db2.gz HJOWPNJTQQIBQO-UHFFFAOYSA-N 1 3 249.318 0.108 10 0 BCAEHO CCN1CCC[C@H]1CNC1CC[NH2+]CC1 ZINC000038040595 350303049 /nfs/dbraw/zinc/30/30/49/350303049.db2.gz FGUSXVBFIJQULC-LBPRGKRZSA-N 1 3 211.353 0.812 10 0 BCAEHO [NH3+]CCN1CCN[C@H](c2cccc(F)c2)C1 ZINC000616633474 351115357 /nfs/dbraw/zinc/11/53/57/351115357.db2.gz ASNPANGEURLMDI-LBPRGKRZSA-N 1 3 223.295 0.731 10 0 BCAEHO CNc1ccc([C@@H]2CN(CC[NH3+])CCN2)cc1 ZINC000616633612 351116462 /nfs/dbraw/zinc/11/64/62/351116462.db2.gz CUUNHUANLJIMGV-ZDUSSCGKSA-N 1 3 234.347 0.633 10 0 BCAEHO CCN(CCNC(=O)[C@@H]1CC[C@H]([NH3+])C1)C1CC1 ZINC000261544481 351122105 /nfs/dbraw/zinc/12/21/05/351122105.db2.gz YQUGFYNPDLLFBD-MNOVXSKESA-N 1 3 239.363 0.714 10 0 BCAEHO CC(C)([NH3+])CN1CCNC[C@H]1C(F)F ZINC000307214742 351614650 /nfs/dbraw/zinc/61/46/50/351614650.db2.gz ATMAYUDGMQNSHX-ZETCQYMHSA-N 1 3 207.268 0.263 10 0 BCAEHO CCN1CCC[C@@H](NC(=O)C2=CC[C@@H]([NH3+])C2)C1 ZINC000638080815 351953749 /nfs/dbraw/zinc/95/37/49/351953749.db2.gz RBSQFSWVJFIMOA-VXGBXAGGSA-N 1 3 237.347 0.634 10 0 BCAEHO CC[NH2+][C@@H](C)C(=O)N(C)C[C@H]1CCCN1CC ZINC000638109564 351986674 /nfs/dbraw/zinc/98/66/74/351986674.db2.gz UWXPRXIJIAPGFE-NWDGAFQWSA-N 1 3 241.379 0.927 10 0 BCAEHO [NH3+][C@@H]1CC12CCC(N1CCOCC1)CC2 ZINC000725271107 538103221 /nfs/dbraw/zinc/10/32/21/538103221.db2.gz XVLFXANHVKVBNZ-MOENNCHZSA-N 1 3 210.321 0.979 10 0 BCAEHO CCN1CCC[C@H](NC(=O)C2CC[NH2+]CC2)C1 ZINC000040503518 352598540 /nfs/dbraw/zinc/59/85/40/352598540.db2.gz DJBGYKIOXATTDR-LBPRGKRZSA-N 1 3 239.363 0.587 10 0 BCAEHO C[C@H]1CN(C(=O)C2CCN(C)CC2)C[C@H]1C[NH3+] ZINC000638895014 353055870 /nfs/dbraw/zinc/05/58/70/353055870.db2.gz QSJDCYYBXCDVEE-CMPLNLGQSA-N 1 3 239.363 0.381 10 0 BCAEHO CC(C)[C@@H](N)C(=O)N[C@@H]1CCC[C@@H]1C[NH3+] ZINC000261594939 535206164 /nfs/dbraw/zinc/20/61/64/535206164.db2.gz XVFDTONOFSCQTO-OPRDCNLKSA-N 1 3 213.325 0.213 10 0 BCAEHO [NH3+]Cc1ccccc1CN1CCN(CCO)CC1 ZINC000036128251 188112845 /nfs/dbraw/zinc/11/28/45/188112845.db2.gz WUHXSUGBLNGJKW-UHFFFAOYSA-N 1 3 249.358 0.255 10 0 BCAEHO CC(C)N1CCN(C[C@H]2CC[C@@H](C[NH3+])O2)CC1 ZINC000052480075 188126098 /nfs/dbraw/zinc/12/60/98/188126098.db2.gz AMGQDYGOPMHGBV-QWHCGFSZSA-N 1 3 241.379 0.519 10 0 BCAEHO CC(C)[C@@H](N)C(=O)N[C@H]1CCC[NH2+][C@H]1C ZINC000261573410 535208528 /nfs/dbraw/zinc/20/85/28/535208528.db2.gz IUGVXTLMVKZRLZ-LPEHRKFASA-N 1 3 213.325 0.226 10 0 BCAEHO CC(C)(C)N1CCN([C@]2(C[NH3+])CCOC2)CC1 ZINC000104070800 188150884 /nfs/dbraw/zinc/15/08/84/188150884.db2.gz MDLBDSMSQZVJMG-ZDUSSCGKSA-N 1 3 241.379 0.520 10 0 BCAEHO CCC[C@@H](N)C(=O)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000165320271 353299003 /nfs/dbraw/zinc/29/90/03/353299003.db2.gz QYJXSVYPDDOODI-NWDGAFQWSA-N 1 3 241.379 0.914 10 0 BCAEHO CCC[C@@H](N)C(=O)N(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000165320271 353299004 /nfs/dbraw/zinc/29/90/04/353299004.db2.gz QYJXSVYPDDOODI-NWDGAFQWSA-N 1 3 241.379 0.914 10 0 BCAEHO CC(C)C[C@H](N)C(=O)N1CCC[C@H]1C[NH+](C)C ZINC000061644900 188486583 /nfs/dbraw/zinc/48/65/83/188486583.db2.gz YLOYYFUCUIPHGT-RYUDHWBXSA-N 1 3 241.379 0.912 10 0 BCAEHO C[C@@H]([NH3+])[C@@H](CO)N1C[C@H](C)C[C@H](C)C1 ZINC000224817606 363442845 /nfs/dbraw/zinc/44/28/45/363442845.db2.gz OIJPSJNQQURUCU-LMLFDSFASA-N 1 3 200.326 0.672 10 0 BCAEHO NC(=O)CCCN1[C@@H]2CCC[C@H]1CC([NH3+])C2 ZINC000054602146 181220980 /nfs/dbraw/zinc/22/09/80/181220980.db2.gz MHAMTJJSVPAEBE-FGWVZKOKSA-N 1 3 225.336 0.596 10 0 BCAEHO NC(=O)CCN1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000037918100 181222730 /nfs/dbraw/zinc/22/27/30/181222730.db2.gz CDVHDCCDPLUOKQ-GHMZBOCLSA-N 1 3 225.336 0.326 10 0 BCAEHO CN(C)C[C@@H](O)c1ccc2c(c1)C[NH2+]CC2 ZINC000675060058 538485971 /nfs/dbraw/zinc/48/59/71/538485971.db2.gz ZYVMOHVNPNGYJT-CYBMUJFWSA-N 1 3 220.316 0.927 10 0 BCAEHO COCCCN[C@@H]1C[C@@H]([NH3+])C12CCOCC2 ZINC000675079849 538518877 /nfs/dbraw/zinc/51/88/77/538518877.db2.gz JKTPWBLBYSRMGJ-GHMZBOCLSA-N 1 3 228.336 0.509 10 0 BCAEHO COCCCN[C@H]1C[C@H]([NH3+])C12CCOCC2 ZINC000675079872 538519002 /nfs/dbraw/zinc/51/90/02/538519002.db2.gz JKTPWBLBYSRMGJ-QWRGUYRKSA-N 1 3 228.336 0.509 10 0 BCAEHO C[C@@H]1NC(=O)CC[C@@H]1N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000392901078 357263025 /nfs/dbraw/zinc/26/30/25/357263025.db2.gz SNFGYNCMSLAROA-VLEAKVRGSA-N 1 3 225.336 0.513 10 0 BCAEHO CCN1CCC[C@@H](NC(=O)[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000233487642 357725603 /nfs/dbraw/zinc/72/56/03/357725603.db2.gz YTQGKAOJZBVHGV-IJLUTSLNSA-N 1 3 239.363 0.442 10 0 BCAEHO N=C1NC(=[NH2+])NC(c2ccccc2Cl)N1 ZINC000584623051 358290821 /nfs/dbraw/zinc/29/08/21/358290821.db2.gz CBVDJJYLPACHMJ-UHFFFAOYSA-N 1 3 223.667 0.991 10 0 BCAEHO CN[C@H](C)C(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000227456197 358357850 /nfs/dbraw/zinc/35/78/50/358357850.db2.gz ZZJUGIAPPRAIBZ-AXFHLTTASA-N 1 3 225.336 0.289 10 0 BCAEHO CN[C@H](C)C(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC000227456197 358357854 /nfs/dbraw/zinc/35/78/54/358357854.db2.gz ZZJUGIAPPRAIBZ-AXFHLTTASA-N 1 3 225.336 0.289 10 0 BCAEHO C[NH2+][C@H](C)C(=O)N1C[C@@H]2CCCN2C[C@@H]1C ZINC000227456197 358357856 /nfs/dbraw/zinc/35/78/56/358357856.db2.gz ZZJUGIAPPRAIBZ-AXFHLTTASA-N 1 3 225.336 0.289 10 0 BCAEHO CN(C)[C@@H]1CCN(C(=O)[C@H]2CC[C@@H]([NH3+])C2)C1 ZINC000227815194 358363849 /nfs/dbraw/zinc/36/38/49/358363849.db2.gz DMIYIAFHIBHNQV-HBNTYKKESA-N 1 3 225.336 0.276 10 0 BCAEHO C[C@@H]1CNCC[C@@H]1[N@H+](C)C(C)(C)CO ZINC000306154570 358940014 /nfs/dbraw/zinc/94/00/14/358940014.db2.gz BKEPVCJAHNIQFN-ZJUUUORDSA-N 1 3 200.326 0.687 10 0 BCAEHO C[C@@H]1CNCC[C@@H]1[N@@H+](C)C(C)(C)CO ZINC000306154570 358940017 /nfs/dbraw/zinc/94/00/17/358940017.db2.gz BKEPVCJAHNIQFN-ZJUUUORDSA-N 1 3 200.326 0.687 10 0 BCAEHO C[C@@H]1C[NH2+]CC[C@@H]1N(C)C(C)(C)CO ZINC000306154570 358940019 /nfs/dbraw/zinc/94/00/19/358940019.db2.gz BKEPVCJAHNIQFN-ZJUUUORDSA-N 1 3 200.326 0.687 10 0 BCAEHO C[NH2+]C(C)(C)[C@H](O)[C@H]1C[C@H](C)CCN1 ZINC000306202731 359292100 /nfs/dbraw/zinc/29/21/00/359292100.db2.gz LOSWHBAREQXVIX-OPRDCNLKSA-N 1 3 200.326 0.733 10 0 BCAEHO CNC(C)(C)[C@H](O)[C@H]1C[C@H](C)CC[NH2+]1 ZINC000306202731 359292106 /nfs/dbraw/zinc/29/21/06/359292106.db2.gz LOSWHBAREQXVIX-OPRDCNLKSA-N 1 3 200.326 0.733 10 0 BCAEHO C[NH2+]C(C)(C)[C@H](O)[C@@H]1C[C@@H](C)CCN1 ZINC000306202730 359292167 /nfs/dbraw/zinc/29/21/67/359292167.db2.gz LOSWHBAREQXVIX-LPEHRKFASA-N 1 3 200.326 0.733 10 0 BCAEHO CNC(C)(C)[C@H](O)[C@@H]1C[C@@H](C)CC[NH2+]1 ZINC000306202730 359292170 /nfs/dbraw/zinc/29/21/70/359292170.db2.gz LOSWHBAREQXVIX-LPEHRKFASA-N 1 3 200.326 0.733 10 0 BCAEHO C[C@@H](N)C(C)(C)C[N@@H+]1C[C@H](O)C[C@H]1C ZINC000306518235 360346046 /nfs/dbraw/zinc/34/60/46/360346046.db2.gz GVAZJHSQPOFVEV-OPRDCNLKSA-N 1 3 200.326 0.815 10 0 BCAEHO C[C@@H](N)C(C)(C)C[N@H+]1C[C@H](O)C[C@H]1C ZINC000306518235 360346048 /nfs/dbraw/zinc/34/60/48/360346048.db2.gz GVAZJHSQPOFVEV-OPRDCNLKSA-N 1 3 200.326 0.815 10 0 BCAEHO C[C@@H]([NH3+])C(C)(C)CN1C[C@H](O)C[C@H]1C ZINC000306518235 360346050 /nfs/dbraw/zinc/34/60/50/360346050.db2.gz GVAZJHSQPOFVEV-OPRDCNLKSA-N 1 3 200.326 0.815 10 0 BCAEHO CN(C)C1CN([C@@]2(C[NH3+])CCSC2)C1 ZINC000306575691 360464779 /nfs/dbraw/zinc/46/47/79/360464779.db2.gz JOJCNENODLXOPA-SNVBAGLBSA-N 1 3 215.366 0.067 10 0 BCAEHO CC(C)[C@H](O)CN1CC[C@H]([NH3+])[C@H](C)C1 ZINC000300834381 360531246 /nfs/dbraw/zinc/53/12/46/360531246.db2.gz CYZKOGGWDDOCDV-OUAUKWLOSA-N 1 3 200.326 0.672 10 0 BCAEHO C[C@H](O)CN(C)[C@@H]1CC[NH2+]CC1(C)C ZINC000300811060 360517237 /nfs/dbraw/zinc/51/72/37/360517237.db2.gz HDCUBOFKCNOEEC-VHSXEESVSA-N 1 3 200.326 0.687 10 0 BCAEHO C[C@H](O)C[N@H+](C)[C@@H]1CCNCC1(C)C ZINC000300811060 360517243 /nfs/dbraw/zinc/51/72/43/360517243.db2.gz HDCUBOFKCNOEEC-VHSXEESVSA-N 1 3 200.326 0.687 10 0 BCAEHO C[C@H](O)C[N@@H+](C)[C@@H]1CCNCC1(C)C ZINC000300811060 360517247 /nfs/dbraw/zinc/51/72/47/360517247.db2.gz HDCUBOFKCNOEEC-VHSXEESVSA-N 1 3 200.326 0.687 10 0 BCAEHO [NH3+]C1CCC(NCc2cnccn2)CC1 ZINC000054766770 181341083 /nfs/dbraw/zinc/34/10/83/181341083.db2.gz FFVZOHKUZSLQJT-UHFFFAOYSA-N 1 3 206.293 0.836 10 0 BCAEHO NCC1(C[N@@H+]2CCC[C@H](O)C2)CCCC1 ZINC000051257076 181358980 /nfs/dbraw/zinc/35/89/80/181358980.db2.gz MBZGEFFMEGOQNG-NSHDSACASA-N 1 3 212.337 0.962 10 0 BCAEHO NCC1(C[N@H+]2CCC[C@H](O)C2)CCCC1 ZINC000051257076 181358982 /nfs/dbraw/zinc/35/89/82/181358982.db2.gz MBZGEFFMEGOQNG-NSHDSACASA-N 1 3 212.337 0.962 10 0 BCAEHO [NH3+]CC1(CN2CCCOCC2)CCOCC1 ZINC000061934894 181359314 /nfs/dbraw/zinc/35/93/14/181359314.db2.gz XRAUEAVQGONLOO-UHFFFAOYSA-N 1 3 228.336 0.464 10 0 BCAEHO NCC1(C[N@@H+]2CCCOCC2)CCOCC1 ZINC000061934894 181359316 /nfs/dbraw/zinc/35/93/16/181359316.db2.gz XRAUEAVQGONLOO-UHFFFAOYSA-N 1 3 228.336 0.464 10 0 BCAEHO NCC1(C[N@H+]2CCCOCC2)CCOCC1 ZINC000061934894 181359317 /nfs/dbraw/zinc/35/93/17/181359317.db2.gz XRAUEAVQGONLOO-UHFFFAOYSA-N 1 3 228.336 0.464 10 0 BCAEHO CN[C@H](C)C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000167530116 364795088 /nfs/dbraw/zinc/79/50/88/364795088.db2.gz XFFAZMUCYDEWBM-UTUOFQBUSA-N 1 3 239.363 0.537 10 0 BCAEHO CN[C@H](C)C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000167530116 364795095 /nfs/dbraw/zinc/79/50/95/364795095.db2.gz XFFAZMUCYDEWBM-UTUOFQBUSA-N 1 3 239.363 0.537 10 0 BCAEHO CCC[C@@H](N)C(=O)NCCC[NH2+]C(C)C ZINC000381287223 367375181 /nfs/dbraw/zinc/37/51/81/367375181.db2.gz ZVHGCDMGSWBBSJ-SNVBAGLBSA-N 1 3 215.341 0.618 10 0 BCAEHO CC[N@H+](C)C[C@H](O)CN1CCC[C@H]1CCCO ZINC000383569425 367640893 /nfs/dbraw/zinc/64/08/93/367640893.db2.gz JTPVAIXGQUAZNP-STQMWFEESA-N 1 3 244.379 0.536 10 0 BCAEHO CC[N@@H+](C)C[C@H](O)CN1CCC[C@H]1CCCO ZINC000383569425 367640896 /nfs/dbraw/zinc/64/08/96/367640896.db2.gz JTPVAIXGQUAZNP-STQMWFEESA-N 1 3 244.379 0.536 10 0 BCAEHO COC[C@H](CN1C[C@@H](C)[C@@H](C[NH3+])C1)OC ZINC000631837421 369098678 /nfs/dbraw/zinc/09/86/78/369098678.db2.gz SBEHLQKRGJHXPM-VWYCJHECSA-N 1 3 216.325 0.174 10 0 BCAEHO COC[C@H](C[N@@H+]1C[C@@H](C)[C@@H](CN)C1)OC ZINC000631837421 369098682 /nfs/dbraw/zinc/09/86/82/369098682.db2.gz SBEHLQKRGJHXPM-VWYCJHECSA-N 1 3 216.325 0.174 10 0 BCAEHO COC[C@H](C[N@H+]1C[C@@H](C)[C@@H](CN)C1)OC ZINC000631837421 369098688 /nfs/dbraw/zinc/09/86/88/369098688.db2.gz SBEHLQKRGJHXPM-VWYCJHECSA-N 1 3 216.325 0.174 10 0 BCAEHO C[C@@H]1CN(CCOCC2CC2)C[C@@H]1C[NH3+] ZINC000631839780 372633546 /nfs/dbraw/zinc/63/35/46/372633546.db2.gz KSGDMLNTHWHVQS-PWSUYJOCSA-N 1 3 212.337 0.940 10 0 BCAEHO C[C@H]1C[N@H+](CCCN2CCOCC2)C[C@@H]1CN ZINC000631838591 372634629 /nfs/dbraw/zinc/63/46/29/372634629.db2.gz QURIGKCMBZXPFM-STQMWFEESA-N 1 3 241.379 0.235 10 0 BCAEHO C[C@H]1C[N@@H+](CCCN2CCOCC2)C[C@@H]1CN ZINC000631838591 372634630 /nfs/dbraw/zinc/63/46/30/372634630.db2.gz QURIGKCMBZXPFM-STQMWFEESA-N 1 3 241.379 0.235 10 0 BCAEHO C[C@H]1CN(CCCN2CCOCC2)C[C@@H]1C[NH3+] ZINC000631838591 372634634 /nfs/dbraw/zinc/63/46/34/372634634.db2.gz QURIGKCMBZXPFM-STQMWFEESA-N 1 3 241.379 0.235 10 0 BCAEHO C[C@@H]1C[N@H+](CC2CCOCC2)C[C@@H]1CN ZINC000631839706 372636013 /nfs/dbraw/zinc/63/60/13/372636013.db2.gz JTWNXBQRIPXPCI-PWSUYJOCSA-N 1 3 212.337 0.940 10 0 BCAEHO C[C@@H]1C[N@@H+](CC2CCOCC2)C[C@@H]1CN ZINC000631839706 372636014 /nfs/dbraw/zinc/63/60/14/372636014.db2.gz JTWNXBQRIPXPCI-PWSUYJOCSA-N 1 3 212.337 0.940 10 0 BCAEHO OCC[C@@H]1CC[N@H+](C[C@@H]2CCCNC2)C1 ZINC000226438478 183095271 /nfs/dbraw/zinc/09/52/71/183095271.db2.gz KNYRZUGNPOQOBZ-NWDGAFQWSA-N 1 3 212.337 0.690 10 0 BCAEHO OCC[C@@H]1CC[N@@H+](C[C@@H]2CCCNC2)C1 ZINC000226438478 183095272 /nfs/dbraw/zinc/09/52/72/183095272.db2.gz KNYRZUGNPOQOBZ-NWDGAFQWSA-N 1 3 212.337 0.690 10 0 BCAEHO OCC[C@@H]1CCN(C[C@@H]2CCC[NH2+]C2)C1 ZINC000226438478 183095273 /nfs/dbraw/zinc/09/52/73/183095273.db2.gz KNYRZUGNPOQOBZ-NWDGAFQWSA-N 1 3 212.337 0.690 10 0 BCAEHO O[C@H](CNCC[C@@H]1CCCO1)C[NH+]1CCCC1 ZINC000038096753 183223234 /nfs/dbraw/zinc/22/32/34/183223234.db2.gz XBOIQOUNAGSEAQ-OLZOCXBDSA-N 1 3 242.363 0.602 10 0 BCAEHO CCCN1CCN([C@@H](C[NH3+])C(C)C)CC1 ZINC000022209734 169202312 /nfs/dbraw/zinc/20/23/12/169202312.db2.gz GAUQPUWTPSCXHE-LBPRGKRZSA-N 1 3 213.369 0.997 10 0 BCAEHO CCCN1CCN([C@@H]2CCC[C@@H]2[NH3+])CC1 ZINC000019257146 169202859 /nfs/dbraw/zinc/20/28/59/169202859.db2.gz SCGPOYLIOLTDRB-NWDGAFQWSA-N 1 3 211.353 0.894 10 0 BCAEHO CCC[C@@H](N)C(=O)N(C)CC[C@H]([NH3+])C(C)C ZINC000236891936 169387362 /nfs/dbraw/zinc/38/73/62/169387362.db2.gz UIKSGWNYWKTSDY-WDEREUQCSA-N 1 3 229.368 0.946 10 0 BCAEHO CCC[C@@H](N)C(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000236948270 169389431 /nfs/dbraw/zinc/38/94/31/169389431.db2.gz DSHXLOITVURUDC-WDEREUQCSA-N 1 3 227.352 0.620 10 0 BCAEHO CCC[C@@H](N)C(=O)NCC[N@H+](C)CCCOC ZINC000236945242 169389515 /nfs/dbraw/zinc/38/95/15/169389515.db2.gz FVSVUTGGDDKPNI-LLVKDONJSA-N 1 3 245.367 0.198 10 0 BCAEHO CCC[C@@H](N)C(=O)NCC[N@@H+](C)CCCOC ZINC000236945242 169389516 /nfs/dbraw/zinc/38/95/16/169389516.db2.gz FVSVUTGGDDKPNI-LLVKDONJSA-N 1 3 245.367 0.198 10 0 BCAEHO CCC[C@@H](N)C(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000226398585 169389012 /nfs/dbraw/zinc/38/90/12/169389012.db2.gz HGHGFECIBHBPEU-GXSJLCMTSA-N 1 3 227.352 0.713 10 0 BCAEHO CCC[C@@H](N)C(=O)NC[C@H](C)[N@@H+](C)C1CC1 ZINC000226398585 169389013 /nfs/dbraw/zinc/38/90/13/169389013.db2.gz HGHGFECIBHBPEU-GXSJLCMTSA-N 1 3 227.352 0.713 10 0 BCAEHO CCC[C@@H](N)C(=O)NC[C@@H](C1CC1)[NH+](C)C ZINC000236953074 169389019 /nfs/dbraw/zinc/38/90/19/169389019.db2.gz DNDDPPOFJQCNQT-MNOVXSKESA-N 1 3 227.352 0.570 10 0 BCAEHO CCC[C@@H](N)C(=O)NC[C@@H](C)[NH+](CC)CC ZINC000236952381 169389260 /nfs/dbraw/zinc/38/92/60/169389260.db2.gz LRWYLELEYHSSTD-GHMZBOCLSA-N 1 3 229.368 0.960 10 0 BCAEHO COC(=O)CCN1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000132379808 384185178 /nfs/dbraw/zinc/18/51/78/384185178.db2.gz LEQVYWQQKMCVNZ-BDAKNGLRSA-N 1 3 200.282 0.219 10 0 BCAEHO C[C@@H](N)C(=O)N1CCC2(CC[N@H+](C)C2)CC1 ZINC000095088899 384360662 /nfs/dbraw/zinc/36/06/62/384360662.db2.gz IUDSIJFUYYZMDG-SNVBAGLBSA-N 1 3 225.336 0.278 10 0 BCAEHO C[C@@H](N)C(=O)N1CCC2(CC[N@@H+](C)C2)CC1 ZINC000095088899 384360667 /nfs/dbraw/zinc/36/06/67/384360667.db2.gz IUDSIJFUYYZMDG-SNVBAGLBSA-N 1 3 225.336 0.278 10 0 BCAEHO CC(C)[C@H](CO)C[NH2+][C@@H]1CCCNCC1 ZINC000394045257 384395232 /nfs/dbraw/zinc/39/52/32/384395232.db2.gz LZTALUAWGVXKBZ-NWDGAFQWSA-N 1 3 214.353 0.983 10 0 BCAEHO CC(C)[C@H](CO)CN[C@@H]1CCC[NH2+]CC1 ZINC000394045257 384395234 /nfs/dbraw/zinc/39/52/34/384395234.db2.gz LZTALUAWGVXKBZ-NWDGAFQWSA-N 1 3 214.353 0.983 10 0 BCAEHO CC(C)OCCN[C@@H](C)[C@H]1CC[NH2+]C1 ZINC000400521232 384403986 /nfs/dbraw/zinc/40/39/86/384403986.db2.gz OKRZZQQQCVEGGZ-QWRGUYRKSA-N 1 3 200.326 0.999 10 0 BCAEHO Cc1cn[nH]c1CN1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000647512640 384411985 /nfs/dbraw/zinc/41/19/85/384411985.db2.gz NYHGOZNMGGKHKD-GARJFASQSA-N 1 3 220.320 0.887 10 0 BCAEHO C[C@H](O)CC[NH2+][C@H]1CCCC[C@@H]1CN ZINC000084217066 384377308 /nfs/dbraw/zinc/37/73/08/384377308.db2.gz MRFLDEWKKQTHPS-AXFHLTTASA-N 1 3 200.326 0.864 10 0 BCAEHO C[C@@H](N)C(=O)N1CC[C@]2(CC[C@@H]([NH3+])C2)C1 ZINC000100248081 384627418 /nfs/dbraw/zinc/62/74/18/384627418.db2.gz LJZPIHKVFRNITN-KKZNHRDASA-N 1 3 211.309 0.064 10 0 BCAEHO C[C@H](N)C(=O)N1CC[C@]2(CC[C@@H]([NH3+])C2)C1 ZINC000100248085 384628509 /nfs/dbraw/zinc/62/85/09/384628509.db2.gz LJZPIHKVFRNITN-NGZCFLSTSA-N 1 3 211.309 0.064 10 0 BCAEHO C[C@@H]1C[C@H](NC(=O)[C@@H]2CC[C@@H]([NH3+])C2)CCN1C ZINC000226403337 385011134 /nfs/dbraw/zinc/01/11/34/385011134.db2.gz LQRNZVNQSURALF-DDHJBXDOSA-N 1 3 239.363 0.713 10 0 BCAEHO CCC[C@@H](N)C(=O)NCCC1CC[NH+](C)CC1 ZINC000157218698 385114105 /nfs/dbraw/zinc/11/41/05/385114105.db2.gz XVBREPHBQLHHGY-GFCCVEGCSA-N 1 3 241.379 0.962 10 0 BCAEHO CCN1CCC[C@H]1CN(C)C(=O)[C@H]1CCC[NH2+]1 ZINC000157254238 385117319 /nfs/dbraw/zinc/11/73/19/385117319.db2.gz QIASJNSQOMGZHD-NWDGAFQWSA-N 1 3 239.363 0.681 10 0 BCAEHO CC(C)CC[C@H](C)NC[C@H]1C[NH2+]C[C@@H]1O ZINC000336687769 385156734 /nfs/dbraw/zinc/15/67/34/385156734.db2.gz UMHSEZVBPQIIHZ-TUAOUCFPSA-N 1 3 214.353 0.981 10 0 BCAEHO CC1(C)[C@@H](N)C[C@@H]1[NH2+]CC1(O)CCOCC1 ZINC000405307104 385466764 /nfs/dbraw/zinc/46/67/64/385466764.db2.gz LIDVHXNNJOLMJW-UWVGGRQHSA-N 1 3 228.336 0.243 10 0 BCAEHO C[NH2+][C@H](C)C(=O)N1CCC[C@@H]1CN(C)C ZINC000061645205 385742968 /nfs/dbraw/zinc/74/29/68/385742968.db2.gz XEQMVDPINSLPSQ-NXEZZACHSA-N 1 3 213.325 0.147 10 0 BCAEHO [NH3+][C@H]1CC=C(C(=O)N2CCN3CCC[C@H]3C2)C1 ZINC000638109926 385842450 /nfs/dbraw/zinc/84/24/50/385842450.db2.gz ZPQJLUKCMOMFBB-RYUDHWBXSA-N 1 3 235.331 0.341 10 0 BCAEHO [NH3+][C@@H]1CC=C(C(=O)N2CCN3CCC[C@H]3C2)C1 ZINC000638109924 385842589 /nfs/dbraw/zinc/84/25/89/385842589.db2.gz ZPQJLUKCMOMFBB-NEPJUHHUSA-N 1 3 235.331 0.341 10 0 BCAEHO CCC[C@](C)(N)C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000062972445 386534304 /nfs/dbraw/zinc/53/43/04/386534304.db2.gz SDJXCCYVRHQIHF-PWSUYJOCSA-N 1 3 227.352 0.666 10 0 BCAEHO CN(C)[C@@H]1CCN(C(=O)[C@H]2CCCC[NH2+]2)C1 ZINC000062972173 386534849 /nfs/dbraw/zinc/53/48/49/386534849.db2.gz GCOVDYBNOHCZCV-GHMZBOCLSA-N 1 3 225.336 0.291 10 0 BCAEHO CN(C)[C@@H]1CCN(C(=O)[C@@H]2CCC[C@H]([NH3+])C2)C1 ZINC000062972053 386535881 /nfs/dbraw/zinc/53/58/81/386535881.db2.gz BTFGQEZMLFJZNK-GRYCIOLGSA-N 1 3 239.363 0.666 10 0 BCAEHO CN(C)[C@H]1CCN(C(=O)[C@]2(C)CCC[NH2+]C2)C1 ZINC000062972066 386535922 /nfs/dbraw/zinc/53/59/22/386535922.db2.gz SOHGJRGLIIHJQL-WCQYABFASA-N 1 3 239.363 0.539 10 0 BCAEHO CCC[C@@](C)(N)C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000062972444 386535959 /nfs/dbraw/zinc/53/59/59/386535959.db2.gz SDJXCCYVRHQIHF-CMPLNLGQSA-N 1 3 227.352 0.666 10 0 BCAEHO CN(C)[C@@H]1CCN(C(=O)[C@H]2CCC[C@H]([NH3+])C2)C1 ZINC000062972055 386535969 /nfs/dbraw/zinc/53/59/69/386535969.db2.gz BTFGQEZMLFJZNK-SDDRHHMPSA-N 1 3 239.363 0.666 10 0 BCAEHO CN(C)[C@H]1CCN(C(=O)[C@@H]2CCCC[NH2+]2)C1 ZINC000062972172 386536102 /nfs/dbraw/zinc/53/61/02/386536102.db2.gz GCOVDYBNOHCZCV-QWRGUYRKSA-N 1 3 225.336 0.291 10 0 BCAEHO C[NH+](C)C[C@@H]1CCN(CC(C)(C)O)C1 ZINC000114477769 386782221 /nfs/dbraw/zinc/78/22/21/386782221.db2.gz FRGTZUGWBZNDHN-JTQLQIEISA-N 1 3 200.326 0.641 10 0 BCAEHO CN(CCNC(=O)[C@@H]1CCC[C@H]([NH3+])C1)C1CC1 ZINC000070578321 387069991 /nfs/dbraw/zinc/06/99/91/387069991.db2.gz ARIPYODQBORHGL-MNOVXSKESA-N 1 3 239.363 0.714 10 0 BCAEHO C1=CCN(CCN[C@@H]2CCC[NH2+]CC2)CC1 ZINC000392243162 387945332 /nfs/dbraw/zinc/94/53/32/387945332.db2.gz MTPXHTOYSKYXPS-CYBMUJFWSA-N 1 3 223.364 0.980 10 0 BCAEHO CN1CCC(NC(=O)[C@@H]2CC[C@@H]([NH3+])C2)CC1 ZINC000085010082 388083038 /nfs/dbraw/zinc/08/30/38/388083038.db2.gz IPHSCXXPTNTFBL-NXEZZACHSA-N 1 3 225.336 0.324 10 0 BCAEHO CCN1CCC[C@@H](NC(=O)[C@@H](C)C[NH2+]C)C1 ZINC000086067784 388099362 /nfs/dbraw/zinc/09/93/62/388099362.db2.gz XHGNUQGKZWXOPJ-WDEREUQCSA-N 1 3 227.352 0.442 10 0 BCAEHO CN1CCC[C@@H]1CNC(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000300409347 388367183 /nfs/dbraw/zinc/36/71/83/388367183.db2.gz XTIRGYJAMOJPTL-QJPTWQEYSA-N 1 3 239.363 0.572 10 0 BCAEHO [NH3+]CCCCC(=O)N1CCN2CCC[C@@H]2C1 ZINC000069733431 388862789 /nfs/dbraw/zinc/86/27/89/388862789.db2.gz CZNOZEOFYHZDFV-LLVKDONJSA-N 1 3 225.336 0.422 10 0 BCAEHO Cc1ccc(CN)c(N2CC[NH2+]CC2)n1 ZINC000052861013 132362733 /nfs/dbraw/zinc/36/27/33/132362733.db2.gz DESVYOSBXZRIOX-UHFFFAOYSA-N 1 3 206.293 0.258 10 0 BCAEHO Cc1ccc(N2C(=[NH2+])NC(=N)N[C@H]2C)cc1 ZINC000013476270 132293174 /nfs/dbraw/zinc/29/31/74/132293174.db2.gz VKYOSIISWISQAN-MRVPVSSYSA-N 1 3 217.276 0.790 10 0 BCAEHO Cc1ccccc1N1C(=N)NC(=[NH2+])N[C@@H]1C ZINC000205991767 132333480 /nfs/dbraw/zinc/33/34/80/132333480.db2.gz DSCCKCHOFSKKJP-QMMMGPOBSA-N 1 3 217.276 0.790 10 0 BCAEHO Cc1ccccc1N1C(=[NH2+])NC(=N)N[C@@H]1C ZINC000205991767 132333482 /nfs/dbraw/zinc/33/34/82/132333482.db2.gz DSCCKCHOFSKKJP-QMMMGPOBSA-N 1 3 217.276 0.790 10 0 BCAEHO Cc1cc(C)c(CN)c(N2CC[NH2+]CC2)n1 ZINC000052861011 132362570 /nfs/dbraw/zinc/36/25/70/132362570.db2.gz JHYYDRGDASTEFU-UHFFFAOYSA-N 1 3 220.320 0.567 10 0 BCAEHO CC1(C)[C@H](O)C[C@H]1N[C@H]1CCC[NH2+]CC1 ZINC000253087195 135120140 /nfs/dbraw/zinc/12/01/40/135120140.db2.gz ALZFWWPZLYVQRG-HBNTYKKESA-N 1 3 212.337 0.878 10 0 BCAEHO CCC[C@H](N)C(=O)NC1(C[NH3+])CCCC1 ZINC000261552301 135191387 /nfs/dbraw/zinc/19/13/87/135191387.db2.gz RAOJQAXFHLJSIZ-VIFPVBQESA-N 1 3 213.325 0.502 10 0 BCAEHO CC1(C)CC[C@H](NC[C@H]2C[NH2+]C[C@@H]2O)C1 ZINC000261552631 135191725 /nfs/dbraw/zinc/19/17/25/135191725.db2.gz RPVXMTMQMQLGPN-VWYCJHECSA-N 1 3 212.337 0.735 10 0 BCAEHO CC1(C)CC[C@H]([NH2+]C[C@H]2CNC[C@@H]2O)C1 ZINC000261552631 135191727 /nfs/dbraw/zinc/19/17/27/135191727.db2.gz RPVXMTMQMQLGPN-VWYCJHECSA-N 1 3 212.337 0.735 10 0 BCAEHO O[C@@H]1CNC[C@@H]1C[NH2+]C1CCCCCC1 ZINC000261546624 135239570 /nfs/dbraw/zinc/23/95/70/135239570.db2.gz LBWIVCBZVPJDIX-ZYHUDNBSSA-N 1 3 212.337 0.879 10 0 BCAEHO O[C@@H]1C[NH2+]C[C@@H]1CNC1CCCCCC1 ZINC000261546624 135239572 /nfs/dbraw/zinc/23/95/72/135239572.db2.gz LBWIVCBZVPJDIX-ZYHUDNBSSA-N 1 3 212.337 0.879 10 0 BCAEHO COC(=O)[C@@H]1CCN(C[C@H]2CCC[NH2+]C2)[C@H]1C ZINC000261638361 135242932 /nfs/dbraw/zinc/24/29/32/135242932.db2.gz DBBFOCAQQUYQBK-SDDRHHMPSA-N 1 3 240.347 0.869 10 0 BCAEHO COC(=O)[C@@H]1CC[N@H+](C[C@H]2CCCNC2)[C@H]1C ZINC000261638361 135242933 /nfs/dbraw/zinc/24/29/33/135242933.db2.gz DBBFOCAQQUYQBK-SDDRHHMPSA-N 1 3 240.347 0.869 10 0 BCAEHO COC(=O)[C@@H]1CC[N@@H+](C[C@H]2CCCNC2)[C@H]1C ZINC000261638361 135242934 /nfs/dbraw/zinc/24/29/34/135242934.db2.gz DBBFOCAQQUYQBK-SDDRHHMPSA-N 1 3 240.347 0.869 10 0 BCAEHO CCC([NH3+])(CC)CNC(=O)C1(N)CCOCC1 ZINC000261923934 135263862 /nfs/dbraw/zinc/26/38/62/135263862.db2.gz VJXPMFMRYWREJN-UHFFFAOYSA-N 1 3 243.351 0.128 10 0 BCAEHO CCCN(C)CC(=O)N1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000262013429 135272054 /nfs/dbraw/zinc/27/20/54/135272054.db2.gz OFTJZKSZURGOSS-LLVKDONJSA-N 1 3 241.379 0.914 10 0 BCAEHO C[C@@H]1NCCN(C(=O)[C@@H]2CC[C@H]([NH3+])C2)[C@H]1C ZINC000262738770 135316759 /nfs/dbraw/zinc/31/67/59/135316759.db2.gz DCWSNBVPELJRJP-MMWGEVLESA-N 1 3 225.336 0.323 10 0 BCAEHO C[C@H](CNC[C@H]1C[NH2+]C[C@H]1O)c1ccccc1 ZINC000263215025 135340121 /nfs/dbraw/zinc/34/01/21/135340121.db2.gz KTUYKMSAGPXNAY-KWCYVHTRSA-N 1 3 234.343 0.960 10 0 BCAEHO C[C@H]1C[C@H]([NH2+]C[C@@H]2CNC[C@H]2O)C[C@@H](C)C1 ZINC000263216369 135340391 /nfs/dbraw/zinc/34/03/91/135340391.db2.gz KZDYMRZWFSKAJE-OBPIAQAESA-N 1 3 226.364 0.981 10 0 BCAEHO C[C@H]1C[C@H](NC[C@@H]2C[NH2+]C[C@H]2O)C[C@@H](C)C1 ZINC000263216369 135340392 /nfs/dbraw/zinc/34/03/92/135340392.db2.gz KZDYMRZWFSKAJE-OBPIAQAESA-N 1 3 226.364 0.981 10 0 BCAEHO C[C@H]1C[C@H]([NH2+]C[C@H]2CNC[C@H]2O)C[C@@H](C)C1 ZINC000263216372 135340482 /nfs/dbraw/zinc/34/04/82/135340482.db2.gz KZDYMRZWFSKAJE-RXGFPQBGSA-N 1 3 226.364 0.981 10 0 BCAEHO C[C@H]1C[C@H](NC[C@H]2C[NH2+]C[C@H]2O)C[C@@H](C)C1 ZINC000263216372 135340483 /nfs/dbraw/zinc/34/04/83/135340483.db2.gz KZDYMRZWFSKAJE-RXGFPQBGSA-N 1 3 226.364 0.981 10 0 BCAEHO C[C@H](CNC(=O)C1C[NH2+]C1)N1CCC[C@H](C)C1 ZINC000263260219 135343586 /nfs/dbraw/zinc/34/35/86/135343586.db2.gz GFDGARKWMPDBSB-WDEREUQCSA-N 1 3 239.363 0.442 10 0 BCAEHO CC[C@@H]1CN2CCCC[C@H]2CN1CC[NH3+] ZINC000383405766 398018597 /nfs/dbraw/zinc/01/85/97/398018597.db2.gz AGKCUIXWDAOWOX-NEPJUHHUSA-N 1 3 211.353 0.894 10 0 BCAEHO CC(C)NC(=O)CCNC[C@H]1CCC[N@H+](C)C1 ZINC000054048318 167043874 /nfs/dbraw/zinc/04/38/74/167043874.db2.gz VIIMIEBKSYLMLQ-GFCCVEGCSA-N 1 3 241.379 0.833 10 0 BCAEHO CC(C)NC(=O)CCNC[C@H]1CCC[N@@H+](C)C1 ZINC000054048318 167043879 /nfs/dbraw/zinc/04/38/79/167043879.db2.gz VIIMIEBKSYLMLQ-GFCCVEGCSA-N 1 3 241.379 0.833 10 0 BCAEHO CC(C)[NH2+]CCCC(=O)N1CC[C@@H](N(C)C)C1 ZINC000062972322 167099102 /nfs/dbraw/zinc/09/91/02/167099102.db2.gz LUBLLWLTMJPIQO-GFCCVEGCSA-N 1 3 241.379 0.927 10 0 BCAEHO O[C@@H]1CCC[C@H](CN2C[C@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000309755209 487590836 /nfs/dbraw/zinc/59/08/36/487590836.db2.gz LIIBAGUNIMOXGI-UMSGYPCISA-N 1 3 224.348 0.689 10 0 BCAEHO COC[C@@H](CN(C)[C@@H]1CCC[NH2+]CC1)OC ZINC000662267613 409570015 /nfs/dbraw/zinc/57/00/15/409570015.db2.gz WEPRMGCSBWYIHA-VXGBXAGGSA-N 1 3 230.352 0.722 10 0 BCAEHO CCN1CCC[C@@H](NC(=O)C2(C)C[NH2+]C2)C1 ZINC000335478684 410439986 /nfs/dbraw/zinc/43/99/86/410439986.db2.gz DYSBETHADSCIJZ-SNVBAGLBSA-N 1 3 225.336 0.196 10 0 BCAEHO CC(C)[NH2+]C[C@@H]1CC(=O)N(CCN(C)C)C1 ZINC000077341730 167111288 /nfs/dbraw/zinc/11/12/88/167111288.db2.gz NMISJZCZGSBGAH-NSHDSACASA-N 1 3 227.352 0.395 10 0 BCAEHO CC(C)[C@@H](CN(C)C)NC(=O)C1CC[NH2+]CC1 ZINC000049220503 167395532 /nfs/dbraw/zinc/39/55/32/167395532.db2.gz MXSQBORRVKXJDG-GFCCVEGCSA-N 1 3 241.379 0.688 10 0 BCAEHO CC(C)C[C@H](CO)NC[C@@H](O)C[N@H+](C)C1CC1 ZINC000310217769 411225409 /nfs/dbraw/zinc/22/54/09/411225409.db2.gz FKTUCLGDWAUPAH-DGCLKSJQSA-N 1 3 244.379 0.438 10 0 BCAEHO CC(C)C[C@H](CO)NC[C@@H](O)C[N@@H+](C)C1CC1 ZINC000310217769 411225411 /nfs/dbraw/zinc/22/54/11/411225411.db2.gz FKTUCLGDWAUPAH-DGCLKSJQSA-N 1 3 244.379 0.438 10 0 BCAEHO CC(C)[C@H]([NH3+])CC(=O)N1CCCN(C)CC1 ZINC000128884383 411293425 /nfs/dbraw/zinc/29/34/25/411293425.db2.gz AJFWRPASANVJJZ-LLVKDONJSA-N 1 3 227.352 0.524 10 0 BCAEHO CCN1CCN([C@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000037157941 169998664 /nfs/dbraw/zinc/99/86/64/169998664.db2.gz KNVQSUQCSHQVHY-NEPJUHHUSA-N 1 3 211.353 0.751 10 0 BCAEHO CC[N@@H+]1CC[C@@H](CN2CC[C@H](NC)C2=O)C1 ZINC000049648812 170006863 /nfs/dbraw/zinc/00/68/63/170006863.db2.gz XUXPXBSUTWMYJJ-MNOVXSKESA-N 1 3 225.336 0.149 10 0 BCAEHO CC[N@H+]1CC[C@@H](CN2CC[C@H](NC)C2=O)C1 ZINC000049648812 170006864 /nfs/dbraw/zinc/00/68/64/170006864.db2.gz XUXPXBSUTWMYJJ-MNOVXSKESA-N 1 3 225.336 0.149 10 0 BCAEHO CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CCN(C2CC2)C1 ZINC000037904904 170088557 /nfs/dbraw/zinc/08/85/57/170088557.db2.gz AOKWZMJKEHFTRH-MNOVXSKESA-N 1 3 239.363 0.585 10 0 BCAEHO CC[NH2+][C@@H](C)CC(=O)N[C@H]1CCN(C2CC2)C1 ZINC000061274406 170139160 /nfs/dbraw/zinc/13/91/60/170139160.db2.gz TWJZHBRRVYFPRG-QWRGUYRKSA-N 1 3 239.363 0.727 10 0 BCAEHO CC[NH2+][C@@H]1CCN(C2CCN(C)CC2)C1=O ZINC000049648121 170151201 /nfs/dbraw/zinc/15/12/01/170151201.db2.gz OMCHMZKYNAWWDQ-LLVKDONJSA-N 1 3 225.336 0.291 10 0 BCAEHO CC[NH2+][C@H](C)CC(=O)N[C@H]1CCN(C2CC2)C1 ZINC000061274407 170157252 /nfs/dbraw/zinc/15/72/52/170157252.db2.gz TWJZHBRRVYFPRG-MNOVXSKESA-N 1 3 239.363 0.727 10 0 BCAEHO OCC1CC(N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000657810515 411603180 /nfs/dbraw/zinc/60/31/80/411603180.db2.gz FDZIICJRLYUAJT-PYNQCMFNSA-N 1 3 224.348 0.974 10 0 BCAEHO OCC1CC(N[C@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000657810515 411603182 /nfs/dbraw/zinc/60/31/82/411603182.db2.gz FDZIICJRLYUAJT-PYNQCMFNSA-N 1 3 224.348 0.974 10 0 BCAEHO CC[C@H]([NH2+]C)C(=O)N1CCN2CCC[C@H]2C1 ZINC000662448962 412177773 /nfs/dbraw/zinc/17/77/73/412177773.db2.gz RGRGZIBYTSIXKB-QWRGUYRKSA-N 1 3 225.336 0.291 10 0 BCAEHO CC[C@H]([NH2+]C)C(=O)N(C)C[C@@H]1CCCN1CC ZINC000662486347 412191224 /nfs/dbraw/zinc/19/12/24/412191224.db2.gz AMSUUHUGLQHQMG-RYUDHWBXSA-N 1 3 241.379 0.927 10 0 BCAEHO C[C@H](NC[C@@H]1CCC(=O)N1)[C@@H]1CCC[NH2+]C1 ZINC000665273789 412215092 /nfs/dbraw/zinc/21/50/92/412215092.db2.gz DIQKPTDZQQVSLM-AXFHLTTASA-N 1 3 225.336 0.243 10 0 BCAEHO FCCOCCN[C@H]1CCC[NH2+]CC1 ZINC000665299123 412248232 /nfs/dbraw/zinc/24/82/32/412248232.db2.gz GQUUXORYXPYHGR-JTQLQIEISA-N 1 3 204.289 0.704 10 0 BCAEHO CN(C)C(=O)CCN1[C@@H]2CC[C@H]1CC([NH3+])C2 ZINC000040750474 172358909 /nfs/dbraw/zinc/35/89/09/172358909.db2.gz FKNOBXWPEWIIQQ-FGWVZKOKSA-N 1 3 225.336 0.419 10 0 BCAEHO CN(C)C(=O)CC[N@H+]1[C@@H]2CC[C@H]1CC(N)C2 ZINC000040750474 172358912 /nfs/dbraw/zinc/35/89/12/172358912.db2.gz FKNOBXWPEWIIQQ-FGWVZKOKSA-N 1 3 225.336 0.419 10 0 BCAEHO CN(C)C(=O)CC[N@@H+]1[C@@H]2CC[C@H]1CC(N)C2 ZINC000040750474 172358915 /nfs/dbraw/zinc/35/89/15/172358915.db2.gz FKNOBXWPEWIIQQ-FGWVZKOKSA-N 1 3 225.336 0.419 10 0 BCAEHO CN(C(=O)[C@](C)([NH3+])C1CC1)C1CCN(C)CC1 ZINC000048218267 172988939 /nfs/dbraw/zinc/98/89/39/172988939.db2.gz NEFJMMSATLFFTN-CYBMUJFWSA-N 1 3 239.363 0.666 10 0 BCAEHO CN1CCCC[C@H]1CNC(=O)[C@@H]1CC[NH2+]C1 ZINC000062116605 173010404 /nfs/dbraw/zinc/01/04/04/173010404.db2.gz ITWVYLAYQVFOCB-MNOVXSKESA-N 1 3 225.336 0.196 10 0 BCAEHO CN1CCCN(C2(C[NH3+])CCSCC2)CC1 ZINC000042334974 173014965 /nfs/dbraw/zinc/01/49/65/173014965.db2.gz RYVWYFUDUGADFM-UHFFFAOYSA-N 1 3 243.420 0.848 10 0 BCAEHO CN1CCCN(C[C@](C)([NH3+])C2CC2)CC1 ZINC000037479191 173016361 /nfs/dbraw/zinc/01/63/61/173016361.db2.gz OKQZTUVKYIANCD-LBPRGKRZSA-N 1 3 211.353 0.751 10 0 BCAEHO CN(C[C@H]1CCCN(C)C1)C(=O)[C@H]1CC[NH2+]C1 ZINC000246238257 173038254 /nfs/dbraw/zinc/03/82/54/173038254.db2.gz IKRWYFOXOSLZAH-RYUDHWBXSA-N 1 3 239.363 0.396 10 0 BCAEHO Cn1ccnc1CCNC[C@H]1CCC[N@H+](C)C1 ZINC000054243447 173042575 /nfs/dbraw/zinc/04/25/75/173042575.db2.gz NNUNNIWUNLLOAC-GFCCVEGCSA-N 1 3 236.363 0.894 10 0 BCAEHO Cn1ccnc1CCNC[C@H]1CCC[N@@H+](C)C1 ZINC000054243447 173042577 /nfs/dbraw/zinc/04/25/77/173042577.db2.gz NNUNNIWUNLLOAC-GFCCVEGCSA-N 1 3 236.363 0.894 10 0 BCAEHO CN(C[C@]1(C[NH3+])CCOC1)[C@H]1CCCN(C)C1 ZINC000053248828 173043692 /nfs/dbraw/zinc/04/36/92/173043692.db2.gz MRJKFGGMDOQBCP-QWHCGFSZSA-N 1 3 241.379 0.378 10 0 BCAEHO CN1CCN(Cc2ccccc2CC[NH3+])CC1 ZINC000070542498 173089377 /nfs/dbraw/zinc/08/93/77/173089377.db2.gz PRODRSWAYYJXJM-UHFFFAOYSA-N 1 3 233.359 0.935 10 0 BCAEHO CN(C[C@@H]1CC[N@H+](C)C1)[C@@H](CN)c1ccncc1 ZINC000071188133 173111743 /nfs/dbraw/zinc/11/17/43/173111743.db2.gz OPIPAEMTIXMACU-OCCSQVGLSA-N 1 3 248.374 0.965 10 0 BCAEHO CN(C[C@@H]1CC[N@@H+](C)C1)[C@@H](CN)c1ccncc1 ZINC000071188133 173111745 /nfs/dbraw/zinc/11/17/45/173111745.db2.gz OPIPAEMTIXMACU-OCCSQVGLSA-N 1 3 248.374 0.965 10 0 BCAEHO CN1CC[C@@H](NC(=O)C[C@@H]2CCCC[NH2+]2)C1 ZINC000042549419 173122661 /nfs/dbraw/zinc/12/26/61/173122661.db2.gz YNTPCXSPUTZPTP-WDEREUQCSA-N 1 3 225.336 0.339 10 0 BCAEHO CN1CC[C@@H](NC(=O)C[C@H]([NH3+])c2ccccc2)C1 ZINC000042549067 173122828 /nfs/dbraw/zinc/12/28/28/173122828.db2.gz XJTUVDKDKYZXCD-OLZOCXBDSA-N 1 3 247.342 0.897 10 0 BCAEHO CN1CC[C@](CN)([N@H+](C)[C@@H]2CCSC2)C1 ZINC000061990223 173163480 /nfs/dbraw/zinc/16/34/80/173163480.db2.gz CMNRSZFJEDMQAG-GHMZBOCLSA-N 1 3 229.393 0.457 10 0 BCAEHO CN1CC[C@](CN)([N@@H+](C)[C@@H]2CCSC2)C1 ZINC000061990223 173163483 /nfs/dbraw/zinc/16/34/83/173163483.db2.gz CMNRSZFJEDMQAG-GHMZBOCLSA-N 1 3 229.393 0.457 10 0 BCAEHO CNC(=O)C1CC[NH+](C2CCNCC2)CC1 ZINC000042489007 173223390 /nfs/dbraw/zinc/22/33/90/173223390.db2.gz SHFVWIWDUNKONN-UHFFFAOYSA-N 1 3 225.336 0.196 10 0 BCAEHO CNC(=O)[C@@H](C)[NH2+]C1CCN(C(C)C)CC1 ZINC000042220906 173295149 /nfs/dbraw/zinc/29/51/49/173295149.db2.gz WZYFQQIFCCQMLS-SNVBAGLBSA-N 1 3 227.352 0.583 10 0 BCAEHO C[NH2+]C(C)(C)C(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000062972864 173318580 /nfs/dbraw/zinc/31/85/80/173318580.db2.gz DDEGWGLSAIDABB-LLVKDONJSA-N 1 3 239.363 0.681 10 0 BCAEHO C[NH2+]CCC(=O)N(C)[C@@H]1CCCN(C)C1 ZINC000053245651 173339510 /nfs/dbraw/zinc/33/95/10/173339510.db2.gz MMGYVRHNVAKXQH-SNVBAGLBSA-N 1 3 213.325 0.149 10 0 BCAEHO C[NH2+]CC[C@@H](C)N1CCN(CCN(C)C)CC1 ZINC000061654858 173357503 /nfs/dbraw/zinc/35/75/03/173357503.db2.gz BBHKAVSAELBVBB-CYBMUJFWSA-N 1 3 242.411 0.164 10 0 BCAEHO C[NH2+]C[C@@H](C(C)C)N1CCCN(C)CC1 ZINC000052424037 173361567 /nfs/dbraw/zinc/36/15/67/173361567.db2.gz YDQPJTFNWYHKCF-LBPRGKRZSA-N 1 3 213.369 0.868 10 0 BCAEHO C[NH2+]C[C@@H]1CCN([C@@H]2CCCN(C)C2)C1 ZINC000053031548 173371178 /nfs/dbraw/zinc/37/11/78/173371178.db2.gz PFXIQCCNVCJPRP-NWDGAFQWSA-N 1 3 211.353 0.622 10 0 BCAEHO C[NH2+]C[C@H]1CCN([C@@H]2CCCN(C)C2)C1 ZINC000053031549 173382091 /nfs/dbraw/zinc/38/20/91/173382091.db2.gz PFXIQCCNVCJPRP-VXGBXAGGSA-N 1 3 211.353 0.622 10 0 BCAEHO C[NH2+]C[C@]1(CN(C)CCCOC)CCCOC1 ZINC000104321401 173384266 /nfs/dbraw/zinc/38/42/66/173384266.db2.gz WURNIYGWVDMXPT-ZDUSSCGKSA-N 1 3 244.379 0.971 10 0 BCAEHO COC1CCN(CCN2CCC[NH2+]CC2)CC1 ZINC000061275002 174028776 /nfs/dbraw/zinc/02/87/76/174028776.db2.gz OVHBWVKFQCGJSV-UHFFFAOYSA-N 1 3 241.379 0.393 10 0 BCAEHO COCCC[NH2+]C[C@H](C)N1CCCN(C)CC1 ZINC000053487787 174247146 /nfs/dbraw/zinc/24/71/46/174247146.db2.gz IBMWOCOPNMAPER-ZDUSSCGKSA-N 1 3 243.395 0.639 10 0 BCAEHO COCC[C@@H](N)C(=O)N[C@H](C[NH+](C)C)C(C)C ZINC000052810116 174391897 /nfs/dbraw/zinc/39/18/97/174391897.db2.gz NDUZAOIHWGGXST-GHMZBOCLSA-N 1 3 245.367 0.053 10 0 BCAEHO C[C@@H]1CCCCN1[C@]1(C[NH3+])CCN(C)C1 ZINC000061990004 176075381 /nfs/dbraw/zinc/07/53/81/176075381.db2.gz IAWWAPUCXNONOA-NEPJUHHUSA-N 1 3 211.353 0.894 10 0 BCAEHO C[C@@H]1CCCN([C@]2(C[NH3+])CCN(C)C2)C1 ZINC000061990018 176102701 /nfs/dbraw/zinc/10/27/01/176102701.db2.gz JVIJTQXZDOOHSW-NEPJUHHUSA-N 1 3 211.353 0.751 10 0 BCAEHO C[C@@H]1CCC[NH2+][C@H]1C(=O)N1CC[C@H](N(C)C)C1 ZINC000104182457 176112338 /nfs/dbraw/zinc/11/23/38/176112338.db2.gz UBHFJYWDXFEMCZ-GRYCIOLGSA-N 1 3 239.363 0.537 10 0 BCAEHO C[C@@H]1CCC[C@H](C(=O)N[C@@H]2CCN(C)C2)[C@@H]1[NH3+] ZINC000055139825 176135274 /nfs/dbraw/zinc/13/52/74/176135274.db2.gz MXQJAJBFXLPJDF-WISYIIOYSA-N 1 3 239.363 0.570 10 0 BCAEHO C[C@@H]1CCC[C@H](C(=O)NC2CCN(C)CC2)[NH2+]1 ZINC000037267774 176135381 /nfs/dbraw/zinc/13/53/81/176135381.db2.gz KZCCFJWGRDZTBK-ZYHUDNBSSA-N 1 3 239.363 0.727 10 0 BCAEHO C[C@@H]1CCC[C@H](C(=O)NCCN(C)C)[NH2+]1 ZINC000019440254 176135645 /nfs/dbraw/zinc/13/56/45/176135645.db2.gz LTFPAMJTHOHLRH-NXEZZACHSA-N 1 3 213.325 0.195 10 0 BCAEHO C[C@@H]1CC[C@@H](C(=O)NC2CCN(C)CC2)C[NH2+]1 ZINC000037267787 176195391 /nfs/dbraw/zinc/19/53/91/176195391.db2.gz ABQKCZPRXSAYDN-GHMZBOCLSA-N 1 3 239.363 0.585 10 0 BCAEHO C[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(C)(C)C[NH3+] ZINC000094459032 176322988 /nfs/dbraw/zinc/32/29/88/176322988.db2.gz PQMCMWVLTQOARQ-GHMZBOCLSA-N 1 3 239.363 0.666 10 0 BCAEHO C[C@@H]1CNCC[N@@H+](C2CCN(C)CC2)C1 ZINC000049661911 176325274 /nfs/dbraw/zinc/32/52/74/176325274.db2.gz WPSPAYJILQQVOQ-LLVKDONJSA-N 1 3 211.353 0.622 10 0 BCAEHO C[C@@H]1CNCC[N@H+](C2CCN(C)CC2)C1 ZINC000049661911 176325275 /nfs/dbraw/zinc/32/52/75/176325275.db2.gz WPSPAYJILQQVOQ-LLVKDONJSA-N 1 3 211.353 0.622 10 0 BCAEHO C[C@@H]1C[NH2+]C[C@H]1C(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000111272088 176330044 /nfs/dbraw/zinc/33/00/44/176330044.db2.gz QEKQUDJEPCJKGJ-CKYFFXLPSA-N 1 3 237.347 0.195 10 0 BCAEHO C[C@H](CC[NH+](C)C)NC[C@@H](O)COCC1CC1 ZINC000049557234 176625326 /nfs/dbraw/zinc/62/53/26/176625326.db2.gz TZTWYNSAJGRBKX-DGCLKSJQSA-N 1 3 244.379 0.704 10 0 BCAEHO C[C@H](O)[C@@H]1CCN(CCC[NH+](C)C)C1 ZINC000122494215 177009204 /nfs/dbraw/zinc/00/92/04/177009204.db2.gz QJNQDAGDMJJKEF-WDEREUQCSA-N 1 3 200.326 0.641 10 0 BCAEHO C[C@H](O)[C@H]1CCN(CCC[NH+](C)C)C1 ZINC000122494684 177014850 /nfs/dbraw/zinc/01/48/50/177014850.db2.gz QJNQDAGDMJJKEF-QWRGUYRKSA-N 1 3 200.326 0.641 10 0 BCAEHO C[C@H]1CCCCN1[C@]1(C[NH3+])CCN(C)C1 ZINC000061990005 177078775 /nfs/dbraw/zinc/07/87/75/177078775.db2.gz IAWWAPUCXNONOA-RYUDHWBXSA-N 1 3 211.353 0.894 10 0 BCAEHO C[C@H]1CCC[C@@H](C(=O)NC2CCN(C)CC2)[NH2+]1 ZINC000037267779 177114072 /nfs/dbraw/zinc/11/40/72/177114072.db2.gz KZCCFJWGRDZTBK-JQWIXIFHSA-N 1 3 239.363 0.727 10 0 BCAEHO C[C@H]1CCN([C@@H]2CCCN(C)C2)CC[NH2+]1 ZINC000049662313 177170541 /nfs/dbraw/zinc/17/05/41/177170541.db2.gz QWPKVWSVGLIYFM-NWDGAFQWSA-N 1 3 211.353 0.764 10 0 BCAEHO C[C@H]1CN(C2(C[NH3+])CCN(C)CC2)C[C@H](C)O1 ZINC000019518353 177240044 /nfs/dbraw/zinc/24/00/44/177240044.db2.gz ZIFBKRTYDGHCCU-RYUDHWBXSA-N 1 3 241.379 0.519 10 0 BCAEHO C[C@@H]1CN(C2(C[NH3+])CCN(C)CC2)C[C@H](C)O1 ZINC000019518352 177241313 /nfs/dbraw/zinc/24/13/13/177241313.db2.gz ZIFBKRTYDGHCCU-TXEJJXNPSA-N 1 3 241.379 0.519 10 0 BCAEHO C[C@@H]1CN[C@@H](C)C[N@H+]1C1CCN(C)CC1 ZINC000062570458 177242369 /nfs/dbraw/zinc/24/23/69/177242369.db2.gz ZPHBMNSODBXYHJ-WDEREUQCSA-N 1 3 211.353 0.763 10 0 BCAEHO C[C@@H]1CN[C@@H](C)C[N@@H+]1C1CCN(C)CC1 ZINC000062570458 177242372 /nfs/dbraw/zinc/24/23/72/177242372.db2.gz ZPHBMNSODBXYHJ-WDEREUQCSA-N 1 3 211.353 0.763 10 0 BCAEHO C[C@H]1C[C@@H](C(=O)N2CC[C@@H](N(C)C)C2)CC[NH2+]1 ZINC000235685673 177307441 /nfs/dbraw/zinc/30/74/41/177307441.db2.gz DKHFRUGCQOEEMI-SDDRHHMPSA-N 1 3 239.363 0.537 10 0 BCAEHO C[C@H]1C[C@H](NCCn2cncn2)CC[N@@H+]1C ZINC000336679056 177370344 /nfs/dbraw/zinc/37/03/44/177370344.db2.gz WZLKVXLPENRHHM-WDEREUQCSA-N 1 3 223.324 0.350 10 0 BCAEHO C[C@H]1C[C@H](NCCn2cncn2)CC[N@H+]1C ZINC000336679056 177370345 /nfs/dbraw/zinc/37/03/45/177370345.db2.gz WZLKVXLPENRHHM-WDEREUQCSA-N 1 3 223.324 0.350 10 0 BCAEHO CCN1CCC[C@@H]1CNC(=O)C[C@@H]([NH3+])C(C)C ZINC000228479538 487656899 /nfs/dbraw/zinc/65/68/99/487656899.db2.gz QUSPCUHOTWIQJI-VXGBXAGGSA-N 1 3 241.379 0.960 10 0 BCAEHO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C[C@@H]1CNCCO1 ZINC000251749929 487795047 /nfs/dbraw/zinc/79/50/47/487795047.db2.gz LGXXTTWEYHERAT-AGIUHOORSA-N 1 3 239.363 0.143 10 0 BCAEHO C[C@@H]1C[N@H+]2CCC[C@H]2CN1C[C@@H]1CNCCO1 ZINC000251749929 487795052 /nfs/dbraw/zinc/79/50/52/487795052.db2.gz LGXXTTWEYHERAT-AGIUHOORSA-N 1 3 239.363 0.143 10 0 BCAEHO CN(CCNC(=O)[C@H]1CCC[C@@H]1C[NH3+])C1CC1 ZINC000089461993 487823909 /nfs/dbraw/zinc/82/39/09/487823909.db2.gz YBDKCFYANLFRPI-PWSUYJOCSA-N 1 3 239.363 0.572 10 0 BCAEHO CC(C)[C@H](O)CN[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000563880544 323182691 /nfs/dbraw/zinc/18/26/91/323182691.db2.gz UREKNNLMBMMPIC-IJLUTSLNSA-N 1 3 214.353 0.981 10 0 BCAEHO CC(C)[C@H](O)C[NH2+][C@H](C)[C@@H]1CCCNC1 ZINC000563880544 323182692 /nfs/dbraw/zinc/18/26/92/323182692.db2.gz UREKNNLMBMMPIC-IJLUTSLNSA-N 1 3 214.353 0.981 10 0 BCAEHO CCC[C@H](N)C(=O)N1C[C@@H](C[NH3+])C[C@@H]1C ZINC000309361335 323345703 /nfs/dbraw/zinc/34/57/03/323345703.db2.gz AMJIWXLOXJTNQG-AEJSXWLSSA-N 1 3 213.325 0.310 10 0 BCAEHO C[C@H]1CN(C(=O)C2CCN(C)CC2)C[C@@H]1[NH3+] ZINC000565363003 325901381 /nfs/dbraw/zinc/90/13/81/325901381.db2.gz XUPQIKHIUYINIB-ONGXEEELSA-N 1 3 225.336 0.134 10 0 BCAEHO CN[C@@H](C)C(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000309482781 487974441 /nfs/dbraw/zinc/97/44/41/487974441.db2.gz ZZJUGIAPPRAIBZ-OUAUKWLOSA-N 1 3 225.336 0.289 10 0 BCAEHO CN[C@@H](C)C(=O)N1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC000309482781 487974445 /nfs/dbraw/zinc/97/44/45/487974445.db2.gz ZZJUGIAPPRAIBZ-OUAUKWLOSA-N 1 3 225.336 0.289 10 0 BCAEHO C[NH2+][C@@H](C)C(=O)N1C[C@H]2CCCN2C[C@H]1C ZINC000309482781 487974451 /nfs/dbraw/zinc/97/44/51/487974451.db2.gz ZZJUGIAPPRAIBZ-OUAUKWLOSA-N 1 3 225.336 0.289 10 0 BCAEHO CC[C@H](C)[C@@H](N)C(=O)N1CC[C@H]([NH2+]C)C1 ZINC000309659503 488026694 /nfs/dbraw/zinc/02/66/94/488026694.db2.gz AOYPCACEJJJNCL-LPEHRKFASA-N 1 3 213.325 0.180 10 0 BCAEHO CC[C@H](C)[C@@H](N)C(=O)N1CC[C@@H](C[NH3+])C1 ZINC000247452218 488065817 /nfs/dbraw/zinc/06/58/17/488065817.db2.gz ZVVILCXIDXLPSM-LPEHRKFASA-N 1 3 213.325 0.167 10 0 BCAEHO CCC[C@H](N)C(=O)N[C@H]1CC[N@H+](CCC)C1 ZINC000389170702 488079307 /nfs/dbraw/zinc/07/93/07/488079307.db2.gz NSMFRQOPHROKJI-QWRGUYRKSA-N 1 3 227.352 0.714 10 0 BCAEHO CCC[C@H](N)C(=O)N[C@H]1CC[N@@H+](CCC)C1 ZINC000389170702 488079312 /nfs/dbraw/zinc/07/93/12/488079312.db2.gz NSMFRQOPHROKJI-QWRGUYRKSA-N 1 3 227.352 0.714 10 0 BCAEHO CCC[C@@H](N)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000236962125 488098399 /nfs/dbraw/zinc/09/83/99/488098399.db2.gz DJHJRIOEGFIRBC-NXEZZACHSA-N 1 3 213.325 0.372 10 0 BCAEHO COCCN(C)CCNC(=O)C[C@H]([NH3+])C(C)C ZINC000136454847 488103624 /nfs/dbraw/zinc/10/36/24/488103624.db2.gz YIEDWVOQQYRJPZ-NSHDSACASA-N 1 3 245.367 0.054 10 0 BCAEHO CC(C)[C@@H]([NH3+])CC(=O)NC[C@@H]1CCCN(C)C1 ZINC000136445005 488103446 /nfs/dbraw/zinc/10/34/46/488103446.db2.gz NXCUJVTUGOFHLJ-RYUDHWBXSA-N 1 3 241.379 0.818 10 0 BCAEHO CC(C)[C@@H]([NH3+])CC(=O)NC[C@@H](C)N1CCCC1 ZINC000136496189 488105659 /nfs/dbraw/zinc/10/56/59/488105659.db2.gz PQEGXNMOLFWKNQ-NEPJUHHUSA-N 1 3 241.379 0.960 10 0 BCAEHO CCCN1CC[C@@H](NC(=O)C[C@H]([NH3+])C(C)C)C1 ZINC000389825372 488114672 /nfs/dbraw/zinc/11/46/72/488114672.db2.gz VDPIJVBKMYZJOI-NEPJUHHUSA-N 1 3 241.379 0.960 10 0 BCAEHO CCCN1CC[C@H](NC(=O)C[C@@H]([NH3+])C(C)C)C1 ZINC000389825373 488115040 /nfs/dbraw/zinc/11/50/40/488115040.db2.gz VDPIJVBKMYZJOI-NWDGAFQWSA-N 1 3 241.379 0.960 10 0 BCAEHO CCCN1CC[C@@H](NC(=O)C[C@@H]([NH3+])C(C)C)C1 ZINC000389825375 488114775 /nfs/dbraw/zinc/11/47/75/488114775.db2.gz VDPIJVBKMYZJOI-VXGBXAGGSA-N 1 3 241.379 0.960 10 0 BCAEHO C[C@H]([NH2+][C@H]1CCCNC1=O)C1CCN(C)CC1 ZINC000050394878 487510081 /nfs/dbraw/zinc/51/00/81/487510081.db2.gz VLJZVRAIATWXCW-JQWIXIFHSA-N 1 3 239.363 0.585 10 0 BCAEHO CC(C)C[C@H](CN(C)C)NC(=O)COCC[NH3+] ZINC000093230660 488144705 /nfs/dbraw/zinc/14/47/05/488144705.db2.gz HJSPHQNXLMDUOD-LLVKDONJSA-N 1 3 245.367 0.054 10 0 BCAEHO C[N@H+](C[C@@H](O)CNC[C@H](O)C(C)(C)C)C1CC1 ZINC000324238155 487562276 /nfs/dbraw/zinc/56/22/76/487562276.db2.gz AKLREDSGRMPJAL-RYUDHWBXSA-N 1 3 244.379 0.438 10 0 BCAEHO C[N@@H+](C[C@@H](O)CNC[C@H](O)C(C)(C)C)C1CC1 ZINC000324238155 487562279 /nfs/dbraw/zinc/56/22/79/487562279.db2.gz AKLREDSGRMPJAL-RYUDHWBXSA-N 1 3 244.379 0.438 10 0 BCAEHO CC(C)C[C@@H](CN(C)C)NC(=O)CC1([NH3+])CC1 ZINC000398032727 488188496 /nfs/dbraw/zinc/18/84/96/488188496.db2.gz DYGJNGDEBUEVOL-NSHDSACASA-N 1 3 241.379 0.960 10 0 BCAEHO CC(C)C[C@H](CO)N[C@@H](C)[C@@H]1CC[NH2+]C1 ZINC000400336032 528549445 /nfs/dbraw/zinc/54/94/45/528549445.db2.gz DHOJGNOSDHRFLH-QJPTWQEYSA-N 1 3 214.353 0.981 10 0 BCAEHO CC(C)[C@@](C)(O)CN[C@@H](C)[C@H]1CC[NH2+]C1 ZINC000400415274 528879837 /nfs/dbraw/zinc/87/98/37/528879837.db2.gz VBQPLPFYNAOBOM-SRVKXCTJSA-N 1 3 214.353 0.981 10 0 BCAEHO CC[C@H](CN[C@H](C)[C@@H]1CC[NH2+]C1)OC ZINC000400555269 529370003 /nfs/dbraw/zinc/37/00/03/529370003.db2.gz ZASVNQOHFWTJIG-GMTAPVOTSA-N 1 3 200.326 0.999 10 0 BCAEHO CCC[C@@H](N)C(=O)N[C@@](C)(C[NH3+])CC(C)C ZINC000262420181 535347303 /nfs/dbraw/zinc/34/73/03/535347303.db2.gz FGGSWPMIVJYOQJ-ZYHUDNBSSA-N 1 3 229.368 0.994 10 0 BCAEHO CCN1CCC(NC(=O)[C@H]2CCC[C@H]2[NH3+])CC1 ZINC000085369721 535472376 /nfs/dbraw/zinc/47/23/76/535472376.db2.gz AQEXNQFPQASJHP-NWDGAFQWSA-N 1 3 239.363 0.714 10 0 BCAEHO CCC[C@H](N)C(=O)N(C)CC(C)(C)C[NH3+] ZINC000261582766 535674046 /nfs/dbraw/zinc/67/40/46/535674046.db2.gz OQSLYKAMKBNILD-VIFPVBQESA-N 1 3 215.341 0.557 10 0 BCAEHO CN(C)CCNC(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000084308623 535888691 /nfs/dbraw/zinc/88/86/91/535888691.db2.gz MRLIZTSGGGMNSD-NXEZZACHSA-N 1 3 213.325 0.039 10 0 BCAEHO CC[C@H](O)CN(C)C[C@H]1CC[N@H+](C)C1 ZINC000251050572 535980118 /nfs/dbraw/zinc/98/01/18/535980118.db2.gz GAHNXBKLQJUTEV-QWRGUYRKSA-N 1 3 200.326 0.641 10 0 BCAEHO CC[C@H](O)CN(C)C[C@H]1CC[N@@H+](C)C1 ZINC000251050572 535980125 /nfs/dbraw/zinc/98/01/25/535980125.db2.gz GAHNXBKLQJUTEV-QWRGUYRKSA-N 1 3 200.326 0.641 10 0 BCAEHO CNC(=O)[C@@]1(C)CC[N@H+](C[C@H]2CCCNC2)C1 ZINC000261541313 536373134 /nfs/dbraw/zinc/37/31/34/536373134.db2.gz JSDYCLKLWISTJC-AAEUAGOBSA-N 1 3 239.363 0.444 10 0 BCAEHO CNC(=O)[C@@]1(C)CC[N@@H+](C[C@H]2CCCNC2)C1 ZINC000261541313 536373138 /nfs/dbraw/zinc/37/31/38/536373138.db2.gz JSDYCLKLWISTJC-AAEUAGOBSA-N 1 3 239.363 0.444 10 0 BCAEHO CN(CCNC(=O)[C@@H]1CC[C@H]([NH3+])C1)C1CC1 ZINC000085012929 536383954 /nfs/dbraw/zinc/38/39/54/536383954.db2.gz OZRHZZTZRBUMRX-ZJUUUORDSA-N 1 3 225.336 0.324 10 0 BCAEHO Cn1nncc1[C@H]1CC[C@H](CC[NH3+])CN1 ZINC000757215090 586440175 /nfs/dbraw/zinc/44/01/75/586440175.db2.gz UPNVGICMHURRHC-RKDXNWHRSA-N 1 3 209.297 0.205 10 0 BCAEHO Cn1nncc1[C@@H]1CC[C@H](CC[NH3+])CN1 ZINC000757215084 586440188 /nfs/dbraw/zinc/44/01/88/586440188.db2.gz UPNVGICMHURRHC-BDAKNGLRSA-N 1 3 209.297 0.205 10 0 BCAEHO COC(=O)[C@H](C[NH3+])C1CCN(C)CC1 ZINC000107143237 588331184 /nfs/dbraw/zinc/33/11/84/588331184.db2.gz XNZQQCDZWWLDRN-SECBINFHSA-N 1 3 200.282 0.076 10 0 BCAEHO CCC[C@H](N)C(=O)NC[C@H](C)[NH+](CC)CC ZINC000236873010 634531360 /nfs/dbraw/zinc/53/13/60/634531360.db2.gz LRWYLELEYHSSTD-QWRGUYRKSA-N 1 3 229.368 0.960 10 0 BCAEHO CCC[C@H](N)C(=O)N1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000236804992 635267553 /nfs/dbraw/zinc/26/75/53/635267553.db2.gz SOQRHZFGSBTSAK-VWYCJHECSA-N 1 3 227.352 0.700 10 0 BCAEHO CCC[C@H](N)C(=O)NCC[N@H+](CC)CCC ZINC000220044531 635300091 /nfs/dbraw/zinc/30/00/91/635300091.db2.gz VPHURFQQBGUKOX-NSHDSACASA-N 1 3 229.368 0.962 10 0 BCAEHO CCC[C@H](N)C(=O)NCC[N@@H+](CC)CCC ZINC000220044531 635300097 /nfs/dbraw/zinc/30/00/97/635300097.db2.gz VPHURFQQBGUKOX-NSHDSACASA-N 1 3 229.368 0.962 10 0 BCAEHO [NH3+][C@H]1CC[C@@H](C(=O)NCCN2CCCC2)C1 ZINC000085010212 636874934 /nfs/dbraw/zinc/87/49/34/636874934.db2.gz VUDLTDDOSIBJBI-MNOVXSKESA-N 1 3 225.336 0.326 10 0 BCAEHO CC(C)N(C)CC(=O)N[C@@H]1CCC[C@@H]1C[NH3+] ZINC000157596004 640697168 /nfs/dbraw/zinc/69/71/68/640697168.db2.gz ZGOPTWBNDHSSRV-GHMZBOCLSA-N 1 3 227.352 0.570 10 0 BCAEHO [NH3+]C[C@@H]1CCCN1CCCCCCO ZINC000226426197 640763882 /nfs/dbraw/zinc/76/38/82/640763882.db2.gz DRADVRPGYITMSL-NSHDSACASA-N 1 3 200.326 0.962 10 0 BCAEHO CC(C)OC[C@H](O)CN(C)[C@@H]1CCC[NH2+]CC1 ZINC000226465477 640767639 /nfs/dbraw/zinc/76/76/39/640767639.db2.gz ZREIEVSWKCFDMA-CHWSQXEVSA-N 1 3 244.379 0.846 10 0 BCAEHO CCCN1CCC[C@@H]1C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000159012742 641661836 /nfs/dbraw/zinc/66/18/36/641661836.db2.gz BLWPAGBMUAVNDH-NWDGAFQWSA-N 1 3 239.363 0.714 10 0 BCAEHO C[NH+](C)[C@H]1CCN(C(=O)[C@H](N)CC2CC2)C1 ZINC000304308558 644889352 /nfs/dbraw/zinc/88/93/52/644889352.db2.gz CKQRADUJCGRKOJ-WDEREUQCSA-N 1 3 225.336 0.276 10 0 BCAEHO COC[C@@H](O)CN(C)[C@H]1CCC[NH2+]CC1 ZINC000252787056 644906525 /nfs/dbraw/zinc/90/65/25/644906525.db2.gz QBYRXJNONYNHRI-QWRGUYRKSA-N 1 3 216.325 0.068 10 0 BCAEHO C[C@@H]1CN(C[C@@H]2C[C@@H]3COC[C@@H]3O2)C[C@@H]1C[NH3+] ZINC000724596763 711596548 /nfs/dbraw/zinc/59/65/48/711596548.db2.gz XMQJQPDCHARBPF-BNDIWNMDSA-N 1 3 240.347 0.317 10 0 BCAEHO C[NH2+][C@H](C)C(=O)N1CC[C@H]2[C@@H]1CCCN2C ZINC000720897565 712876410 /nfs/dbraw/zinc/87/64/10/712876410.db2.gz HTKCPCDZEOIPMH-VWYCJHECSA-N 1 3 225.336 0.289 10 0 BCAEHO CCC(CC)(C[NH3+])C(=O)N1CC[C@H](N(C)C)C1 ZINC000062967612 168322102 /nfs/dbraw/zinc/32/21/02/168322102.db2.gz GLMNMQGFLGNLIF-NSHDSACASA-N 1 3 241.379 0.914 10 0 BCAEHO CN(C)[C@H]1CCN(C(=O)CC[NH2+]C2CC2)C1 ZINC000062972344 349502979 /nfs/dbraw/zinc/50/29/79/349502979.db2.gz CXWWTALXLGSWIX-NSHDSACASA-N 1 3 225.336 0.291 10 0 BCAEHO CC(C)N(C)C[C@@H](O)C[NH2+][C@@H](C)[C@@H]1CCCO1 ZINC000380153546 398187551 /nfs/dbraw/zinc/18/75/51/398187551.db2.gz SNDAEPRPPHNIBE-AVGNSLFASA-N 1 3 244.379 0.845 10 0 BCAEHO CC(C)C[C@@H](N)C(=O)NCC[C@@H](C)[NH3+] ZINC000380226048 398191631 /nfs/dbraw/zinc/19/16/31/398191631.db2.gz KHOLBUFKBKWUMA-RKDXNWHRSA-N 1 3 201.314 0.213 10 0 BCAEHO CCCCN(C)CCNC(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000263283782 398197163 /nfs/dbraw/zinc/19/71/63/398197163.db2.gz SWEJAHJATFWWBT-RYUDHWBXSA-N 1 3 241.379 0.962 10 0 BCAEHO CCN1CCC[C@@H]1CN(C)C(=O)C(C)(C)C[NH3+] ZINC000092626317 398235648 /nfs/dbraw/zinc/23/56/48/398235648.db2.gz ISCSGFIQSYVFQL-LLVKDONJSA-N 1 3 241.379 0.914 10 0 BCAEHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)[NH2+]C ZINC000394261675 398288776 /nfs/dbraw/zinc/28/87/76/398288776.db2.gz MHVPLPMPLSZSBP-UTUOFQBUSA-N 1 3 239.363 0.680 10 0 BCAEHO C[C@@H]1CCC[C@H](C[NH3+])N1CC(C)(C)O ZINC000069722907 342823712 /nfs/dbraw/zinc/82/37/12/342823712.db2.gz ODRGMKGGYRTEKX-NXEZZACHSA-N 1 3 200.326 0.959 10 0 BCAEHO CC[C@H](COC)N[C@H](C)[C@H]1CC[NH2+]C1 ZINC000400554757 529399545 /nfs/dbraw/zinc/39/95/45/529399545.db2.gz YWBXJRXLODUZGI-OUAUKWLOSA-N 1 3 200.326 0.999 10 0 BCAEHO CN(C)C[C@H]1COC[C@@H]1[NH+]1CCC(CO)CC1 ZINC000725273979 539027013 /nfs/dbraw/zinc/02/70/13/539027013.db2.gz ZVEUBSAZMHRTCB-STQMWFEESA-N 1 3 242.363 0.267 10 0 BCAEHO C[C@H](CNC(=O)[C@H]1CCC[NH2+]C1)N(C)C1CC1 ZINC000167334904 136245762 /nfs/dbraw/zinc/24/57/62/136245762.db2.gz DTEFNRJWMPPQMY-MNOVXSKESA-N 1 3 239.363 0.585 10 0 BCAEHO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CNC1CC1 ZINC000094460205 343156109 /nfs/dbraw/zinc/15/61/09/343156109.db2.gz BWHSRGOLFAIYFI-CMPLNLGQSA-N 1 3 237.347 0.434 10 0 BCAEHO C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)CNC1CC1 ZINC000094460205 343156111 /nfs/dbraw/zinc/15/61/11/343156111.db2.gz BWHSRGOLFAIYFI-CMPLNLGQSA-N 1 3 237.347 0.434 10 0 BCAEHO CN(C)[C@H]1CCN(C(=O)CC2([NH3+])CC2)C1 ZINC000398069786 488206970 /nfs/dbraw/zinc/20/69/70/488206970.db2.gz LNMXLVBUCRPMIB-VIFPVBQESA-N 1 3 211.309 0.030 10 0 BCAEHO CN(C)[C@@H]1CCN(C(=O)CC[C@H]2CC[NH2+]C2)C1 ZINC000134562476 343194789 /nfs/dbraw/zinc/19/47/89/343194789.db2.gz QEQCZUVWUVFCHG-NWDGAFQWSA-N 1 3 239.363 0.539 10 0 BCAEHO C[C@@H]1CN(CCc2ccnn2C)C[C@@H]1C[NH3+] ZINC000634688256 343246445 /nfs/dbraw/zinc/24/64/45/343246445.db2.gz NGNWUBDIBMRLQA-MNOVXSKESA-N 1 3 222.336 0.489 10 0 BCAEHO CC(C)N1CC[C@@]2(C1)OC[C@H](C[NH3+])O2 ZINC000134991794 343352195 /nfs/dbraw/zinc/35/21/95/343352195.db2.gz HBPBZNLTLXSLIJ-VHSXEESVSA-N 1 3 200.282 0.171 10 0 BCAEHO C[NH+](C)[C@@H]1CCN(C(=O)C2(N)CCC2)C1 ZINC000088051104 343698411 /nfs/dbraw/zinc/69/84/11/343698411.db2.gz APOKVRCHNOMBJJ-SECBINFHSA-N 1 3 211.309 0.030 10 0 BCAEHO COC(=O)CCN1CCC(OCCC[NH3+])CC1 ZINC000094072039 344325279 /nfs/dbraw/zinc/32/52/79/344325279.db2.gz QJHFLJRTPSSVQP-UHFFFAOYSA-N 1 3 244.335 0.379 10 0 BCAEHO CCC[C@H](N)C(=O)N1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000381315114 344494926 /nfs/dbraw/zinc/49/49/26/344494926.db2.gz MRYJRIUZKSAGLI-UTLUCORTSA-N 1 3 213.325 0.310 10 0 BCAEHO CC(C)N1CC[C@]2(C1)OC[C@@H](C[NH3+])O2 ZINC000226770762 344990692 /nfs/dbraw/zinc/99/06/92/344990692.db2.gz HBPBZNLTLXSLIJ-ZJUUUORDSA-N 1 3 200.282 0.171 10 0 BCAEHO C[C@@H](CNC(=O)OC(C)(C)C)NC1CC([NH3+])C1 ZINC000227686363 345039878 /nfs/dbraw/zinc/03/98/78/345039878.db2.gz BWGYFIZOSCVHBP-IDKOKCKLSA-N 1 3 243.351 0.979 10 0 BCAEHO CCN1CCC[C@@H]1CN(C)C(=O)[C@H](C)[C@H](C)[NH3+] ZINC000248492923 345403487 /nfs/dbraw/zinc/40/34/87/345403487.db2.gz OYBDNQWGXVSUFJ-GRYCIOLGSA-N 1 3 241.379 0.912 10 0 BCAEHO C[C@@H]1C[NH2+]CCN1Cc1cncc(CN)c1 ZINC000669379148 537975353 /nfs/dbraw/zinc/97/53/53/537975353.db2.gz UNUNFZGEFZRSQH-SNVBAGLBSA-N 1 3 220.320 0.334 10 0 BCAEHO CCC[N@H+](C)[C@H]1CC2(CC[C@H]1N)OCCO2 ZINC000250004955 362718530 /nfs/dbraw/zinc/71/85/30/362718530.db2.gz IXOPDSPLHJIQOM-MNOVXSKESA-N 1 3 228.336 0.951 10 0 BCAEHO CCC[N@@H+](C)[C@H]1CC2(CC[C@H]1N)OCCO2 ZINC000250004955 362718539 /nfs/dbraw/zinc/71/85/39/362718539.db2.gz IXOPDSPLHJIQOM-MNOVXSKESA-N 1 3 228.336 0.951 10 0 BCAEHO CCN1CCC[C@@H](NC(=O)C[C@H]2CCC[NH2+]2)C1 ZINC000249744804 346499211 /nfs/dbraw/zinc/49/92/11/346499211.db2.gz LZVICXGZDIYOKQ-VXGBXAGGSA-N 1 3 239.363 0.729 10 0 BCAEHO C[C@@H]1CCN(C[C@H]2CCC[NH2+]C2)C[C@H]1CO ZINC000622005005 370656222 /nfs/dbraw/zinc/65/62/22/370656222.db2.gz XQSIIECZLQIWNZ-AGIUHOORSA-N 1 3 226.364 0.936 10 0 BCAEHO C[C@@H]1CC[N@H+](C[C@H]2CCCNC2)C[C@H]1CO ZINC000622005005 370656227 /nfs/dbraw/zinc/65/62/27/370656227.db2.gz XQSIIECZLQIWNZ-AGIUHOORSA-N 1 3 226.364 0.936 10 0 BCAEHO C[C@@H]1CC[N@@H+](C[C@H]2CCCNC2)C[C@H]1CO ZINC000622005005 370656232 /nfs/dbraw/zinc/65/62/32/370656232.db2.gz XQSIIECZLQIWNZ-AGIUHOORSA-N 1 3 226.364 0.936 10 0 BCAEHO C[C@@H]1CN(CCc2cn[nH]c2)C[C@@H]1C[NH3+] ZINC000641821674 362772357 /nfs/dbraw/zinc/77/23/57/362772357.db2.gz OIHQGSWQWJWLQJ-KOLCDFICSA-N 1 3 208.309 0.479 10 0 BCAEHO CC(C)[N@H+](C)[C@H]1CC2(CC[C@H]1N)OCCO2 ZINC000250508589 362807204 /nfs/dbraw/zinc/80/72/04/362807204.db2.gz ODRXWHTZVQFKTP-MNOVXSKESA-N 1 3 228.336 0.950 10 0 BCAEHO CC(C)[N@@H+](C)[C@H]1CC2(CC[C@H]1N)OCCO2 ZINC000250508589 362807207 /nfs/dbraw/zinc/80/72/07/362807207.db2.gz ODRXWHTZVQFKTP-MNOVXSKESA-N 1 3 228.336 0.950 10 0 BCAEHO COC[C@@](C)(O)CN[C@H]1CCC[NH2+]CC1 ZINC000382560167 347359748 /nfs/dbraw/zinc/35/97/48/347359748.db2.gz LIADPVLHUMLAAL-QWRGUYRKSA-N 1 3 216.325 0.116 10 0 BCAEHO CCN1CCC(N(C)C(=O)[C@@H](C)[NH2+]C)CC1 ZINC000054072401 348888398 /nfs/dbraw/zinc/88/83/98/348888398.db2.gz GOPYJPVTVOCTBC-SNVBAGLBSA-N 1 3 227.352 0.537 10 0 BCAEHO Cc1cc([C@@H]2CC[NH2+]C[C@H]2N)cc(N)n1 ZINC000669385068 538019504 /nfs/dbraw/zinc/01/95/04/538019504.db2.gz WHMRVVYPAUIWCY-VHSXEESVSA-N 1 3 206.293 0.376 10 0 BCAEHO Cc1cc([C@@H]2CCNC[C@H]2[NH3+])cc(N)n1 ZINC000669385068 538019510 /nfs/dbraw/zinc/01/95/10/538019510.db2.gz WHMRVVYPAUIWCY-VHSXEESVSA-N 1 3 206.293 0.376 10 0 BCAEHO CN1CCCN(C(=O)C[C@@H]2CCC[NH2+]C2)CC1 ZINC000054290585 348962155 /nfs/dbraw/zinc/96/21/55/348962155.db2.gz VKEPHJCOLKUUKH-LBPRGKRZSA-N 1 3 239.363 0.540 10 0 BCAEHO CCN(C(=O)C1CCN(C)CC1)[C@@H]1CC[NH2+]C1 ZINC000616571760 349060461 /nfs/dbraw/zinc/06/04/61/349060461.db2.gz ICGHCHNEEKOETE-GFCCVEGCSA-N 1 3 239.363 0.539 10 0 BCAEHO CN1CCC[C@H](CNC(=O)[C@H]2CC[C@@H]([NH3+])C2)C1 ZINC000250552761 349175243 /nfs/dbraw/zinc/17/52/43/349175243.db2.gz ANOQWTQHSQDAED-GRYCIOLGSA-N 1 3 239.363 0.572 10 0 BCAEHO CN(C)CCOCC[NH2+]C[C@@H](O)C(C)(C)C ZINC000304263683 350152198 /nfs/dbraw/zinc/15/21/98/350152198.db2.gz ULMCIUOEZPZRTF-LLVKDONJSA-N 1 3 232.368 0.561 10 0 BCAEHO CN(C)CCOCC[NH2+]C[C@H](O)C(C)(C)C ZINC000304263685 350152252 /nfs/dbraw/zinc/15/22/52/350152252.db2.gz ULMCIUOEZPZRTF-NSHDSACASA-N 1 3 232.368 0.561 10 0 BCAEHO CC(C)[C@H](N)C(=O)N1CCC2(CC([NH3+])C2)C1 ZINC000095087985 191053615 /nfs/dbraw/zinc/05/36/15/191053615.db2.gz LWCMKKPKZZATFW-YZRBJQDESA-N 1 3 225.336 0.310 10 0 BCAEHO [NH3+]CCCCC(=O)Nc1ccnn1C1CNC1 ZINC000725258601 538075954 /nfs/dbraw/zinc/07/59/54/538075954.db2.gz UTFSSEPYCVLBAI-UHFFFAOYSA-N 1 3 237.307 0.095 10 0 BCAEHO CCCC[C@H](C)NC[C@H]1C[NH2+]C[C@H]1O ZINC000336651807 350580499 /nfs/dbraw/zinc/58/04/99/350580499.db2.gz XIAMPGRVMOAEAA-HBNTYKKESA-N 1 3 200.326 0.735 10 0 BCAEHO CCC[C@H](N)C(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000309505092 350680011 /nfs/dbraw/zinc/68/00/11/350680011.db2.gz VSCKOODZICHKNF-GXSJLCMTSA-N 1 3 213.325 0.311 10 0 BCAEHO [NH3+]CCN1CCN[C@@H](c2cccc(F)c2)C1 ZINC000616651993 351189609 /nfs/dbraw/zinc/18/96/09/351189609.db2.gz ASNPANGEURLMDI-GFCCVEGCSA-N 1 3 223.295 0.731 10 0 BCAEHO COc1ccc([C@H]2CN(CC[NH3+])CCN2)cc1 ZINC000616654722 351196459 /nfs/dbraw/zinc/19/64/59/351196459.db2.gz NRCCBPDYRBNYSK-CYBMUJFWSA-N 1 3 235.331 0.600 10 0 BCAEHO CC(C)CC[C@H](N)C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000638277524 352112397 /nfs/dbraw/zinc/11/23/97/352112397.db2.gz ZPUDCRYQESTYDL-RYUDHWBXSA-N 1 3 241.379 0.912 10 0 BCAEHO C[C@H](O)[C@H](C)N1CCC[C@H](C)[C@@H]1C[NH3+] ZINC000252115585 363124511 /nfs/dbraw/zinc/12/45/11/363124511.db2.gz IMFDRVVYKIDLQV-NAKRPEOUSA-N 1 3 200.326 0.815 10 0 BCAEHO C[C@@H](O)C(C)(C)[NH2+]C[C@@H]1CCCNC1 ZINC000220390931 363143699 /nfs/dbraw/zinc/14/36/99/363143699.db2.gz KIZXPHFFPWRYLX-NXEZZACHSA-N 1 3 200.326 0.735 10 0 BCAEHO C[C@@H](O)C(C)(C)NC[C@@H]1CCC[NH2+]C1 ZINC000220390931 363143704 /nfs/dbraw/zinc/14/37/04/363143704.db2.gz KIZXPHFFPWRYLX-NXEZZACHSA-N 1 3 200.326 0.735 10 0 BCAEHO CCN1CCC[C@@H](NC(=O)C2CC[NH2+]CC2)C1 ZINC000040503519 352598102 /nfs/dbraw/zinc/59/81/02/352598102.db2.gz DJBGYKIOXATTDR-GFCCVEGCSA-N 1 3 239.363 0.587 10 0 BCAEHO CNC(=[NH2+])N[C@@H]1[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000307272746 353064706 /nfs/dbraw/zinc/06/47/06/353064706.db2.gz OAFHYBHSRRILTM-ITGUQSILSA-N 1 3 244.342 0.861 10 0 BCAEHO CC(C)[C@H](CN(C)C)NC(=O)C1CC[NH2+]CC1 ZINC000049220508 188124162 /nfs/dbraw/zinc/12/41/62/188124162.db2.gz MXSQBORRVKXJDG-LBPRGKRZSA-N 1 3 241.379 0.688 10 0 BCAEHO C([C@@H]1CCCO1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000077385014 188136344 /nfs/dbraw/zinc/13/63/44/188136344.db2.gz KULSVZKPUVSJIK-STQMWFEESA-N 1 3 239.363 0.145 10 0 BCAEHO CCN1CCC[C@@H]1CNC(=O)[C@@H]1C[NH2+]C[C@H]1C ZINC000233472832 353821763 /nfs/dbraw/zinc/82/17/63/353821763.db2.gz PJQJVZOKUIDYHM-IJLUTSLNSA-N 1 3 239.363 0.442 10 0 BCAEHO C[C@@H](C(=O)N1CC[C@@H](N(C)C)C1)[C@H](C)[NH3+] ZINC000230216514 363300069 /nfs/dbraw/zinc/30/00/69/363300069.db2.gz ZJPDSVBDMJYIJN-KXUCPTDWSA-N 1 3 213.325 0.132 10 0 BCAEHO N[C@@H](C(=O)N1CCC[C@H]2C[NH2+]C[C@H]21)C1CCC1 ZINC000333332517 188587637 /nfs/dbraw/zinc/58/76/37/188587637.db2.gz WLRHCOJPKBGBEJ-QJPTWQEYSA-N 1 3 237.347 0.324 10 0 BCAEHO NC(=O)C1CC[NH+]([C@@H]2CCC[C@@H]2N)CC1 ZINC000040431145 181217369 /nfs/dbraw/zinc/21/73/69/181217369.db2.gz MHPQGWMFHPHOEA-VHSXEESVSA-N 1 3 211.309 0.064 10 0 BCAEHO NC(=O)CCN1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000037918103 181223959 /nfs/dbraw/zinc/22/39/59/181223959.db2.gz CDVHDCCDPLUOKQ-QWRGUYRKSA-N 1 3 225.336 0.326 10 0 BCAEHO COC(=O)[C@@H](C[NH3+])C1CCN(C2CC2)CC1 ZINC000675073347 538504983 /nfs/dbraw/zinc/50/49/83/538504983.db2.gz NGSDAKLCMGJNNY-NSHDSACASA-N 1 3 226.320 0.609 10 0 BCAEHO [NH3+][C@@H]1C=C(CCc2ccns2)CNC1 ZINC000675077651 538513903 /nfs/dbraw/zinc/51/39/03/538513903.db2.gz GXFCZAHAPUIABB-SECBINFHSA-N 1 3 209.318 0.933 10 0 BCAEHO CN(C1CC1)[C@@H]1C[C@H]([NH3+])C12CCOCC2 ZINC000675078945 538517835 /nfs/dbraw/zinc/51/78/35/538517835.db2.gz CJGLBNSZJQKDCB-WDEREUQCSA-N 1 3 210.321 0.977 10 0 BCAEHO C[N@H+](C1CC1)[C@@H]1C[C@H](N)C12CCOCC2 ZINC000675078945 538517840 /nfs/dbraw/zinc/51/78/40/538517840.db2.gz CJGLBNSZJQKDCB-WDEREUQCSA-N 1 3 210.321 0.977 10 0 BCAEHO C[N@@H+](C1CC1)[C@@H]1C[C@H](N)C12CCOCC2 ZINC000675078945 538517843 /nfs/dbraw/zinc/51/78/43/538517843.db2.gz CJGLBNSZJQKDCB-WDEREUQCSA-N 1 3 210.321 0.977 10 0 BCAEHO CCC[C@@H](N)C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000390548686 357103071 /nfs/dbraw/zinc/10/30/71/357103071.db2.gz NSEHGLMVXCQCTA-NXEZZACHSA-N 1 3 213.325 0.230 10 0 BCAEHO C[NH+](C)[C@@H]1CCCN([C@@H]2CCNC[C@@H]2F)C1 ZINC000685948282 538890220 /nfs/dbraw/zinc/89/02/20/538890220.db2.gz GBGNKEKJYFQPIZ-GRYCIOLGSA-N 1 3 229.343 0.712 10 0 BCAEHO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)C1(N)CC1 ZINC000086188848 357872206 /nfs/dbraw/zinc/87/22/06/357872206.db2.gz FGUXOAFHEBBJBP-SNVBAGLBSA-N 1 3 225.336 0.420 10 0 BCAEHO CC[N@H+]1CCC[C@@H]1CN(C)C(=O)C1(N)CC1 ZINC000086188848 357872210 /nfs/dbraw/zinc/87/22/10/357872210.db2.gz FGUXOAFHEBBJBP-SNVBAGLBSA-N 1 3 225.336 0.420 10 0 BCAEHO C[NH2+]C[C@H](C)C(=O)N1CC[C@@H](N(C)C)C1 ZINC000086068960 358210244 /nfs/dbraw/zinc/21/02/44/358210244.db2.gz AKKGDXZFOSLDOG-VHSXEESVSA-N 1 3 213.325 0.004 10 0 BCAEHO CN1CCC[C@@H]1CNC(=O)C[C@@H]1CCC[NH2+]C1 ZINC000226078752 358333628 /nfs/dbraw/zinc/33/36/28/358333628.db2.gz KYBVWTNPPOJMBL-NWDGAFQWSA-N 1 3 239.363 0.587 10 0 BCAEHO CCN(CCC[NH+](C)C)C(=O)[C@@H](C)NC ZINC000230711515 358410281 /nfs/dbraw/zinc/41/02/81/358410281.db2.gz IGVJHFZEAKVIPO-SNVBAGLBSA-N 1 3 215.341 0.395 10 0 BCAEHO CCC[C@H](N)C(=O)NCC1CC[NH+](CC)CC1 ZINC000044526764 358389750 /nfs/dbraw/zinc/38/97/50/358389750.db2.gz ATPZMVOQBRRFCO-LBPRGKRZSA-N 1 3 241.379 0.962 10 0 BCAEHO CC[C@](C)([C@H](C)[NH3+])N1CC[C@](C)(O)C1 ZINC000306151212 358914805 /nfs/dbraw/zinc/91/48/05/358914805.db2.gz HFFIDVKMOVUOAE-GARJFASQSA-N 1 3 200.326 0.959 10 0 BCAEHO CC[C@](C)([C@@H](C)[NH3+])N1CC[C@](C)(O)C1 ZINC000306151710 358918294 /nfs/dbraw/zinc/91/82/94/358918294.db2.gz HFFIDVKMOVUOAE-OUAUKWLOSA-N 1 3 200.326 0.959 10 0 BCAEHO CC[C@@H](N)C(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000086932282 359592285 /nfs/dbraw/zinc/59/22/85/359592285.db2.gz HBXIQPSTUIZWQX-GARJFASQSA-N 1 3 225.336 0.419 10 0 BCAEHO CC[C@@H](N)C(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC000086932282 359592289 /nfs/dbraw/zinc/59/22/89/359592289.db2.gz HBXIQPSTUIZWQX-GARJFASQSA-N 1 3 225.336 0.419 10 0 BCAEHO Cc1nc(NC(CN)C[NH3+])sc1C ZINC000306570610 360452492 /nfs/dbraw/zinc/45/24/92/360452492.db2.gz ZEVPEKRDMQYKTR-UHFFFAOYSA-N 1 3 200.311 0.458 10 0 BCAEHO C[C@H](NC[C@@H]1COCCN1C)[C@H]1CCC[NH2+]C1 ZINC000629532867 361156446 /nfs/dbraw/zinc/15/64/46/361156446.db2.gz WZLBWPFBRBFUGY-RWMBFGLXSA-N 1 3 241.379 0.295 10 0 BCAEHO CO[C@@H]1CN(CC2CCOCC2)[C@@](C)(C[NH3+])C1 ZINC000630363728 364079590 /nfs/dbraw/zinc/07/95/90/364079590.db2.gz QXJZYDPBPOEWBV-QWHCGFSZSA-N 1 3 242.363 0.851 10 0 BCAEHO [NH3+]CC1CCN([C@H]2CCCCNC2=O)CC1 ZINC000044513843 181365766 /nfs/dbraw/zinc/36/57/66/181365766.db2.gz MZVOPWPMWQXKHK-NSHDSACASA-N 1 3 225.336 0.326 10 0 BCAEHO CN(C)[C@@H]1CCCN(CC2=[NH+]CCCN2)C1 ZINC000669384995 541438466 /nfs/dbraw/zinc/43/84/66/541438466.db2.gz RSZVBMNPJOCFGQ-LLVKDONJSA-N 1 3 224.352 0.404 10 0 BCAEHO [NH3+]CCN1CCCN(C[C@H]2CCCO2)CC1 ZINC000037039703 181391545 /nfs/dbraw/zinc/39/15/45/181391545.db2.gz MJJAHRCECQEZRA-GFCCVEGCSA-N 1 3 227.352 0.132 10 0 BCAEHO CN1CCc2nc(OC3CC[NH2+]CC3)ncc2C1 ZINC000114975554 368964614 /nfs/dbraw/zinc/96/46/14/368964614.db2.gz IPYSSEMRSIPIOL-UHFFFAOYSA-N 1 3 248.330 0.595 10 0 BCAEHO C[C@@H]1SCC[N@H+](C[C@H](O)CN)[C@H]1C ZINC000132332402 371793722 /nfs/dbraw/zinc/79/37/22/371793722.db2.gz QPAZHGXTIRVRKB-XHNCKOQMSA-N 1 3 204.339 0.132 10 0 BCAEHO C[C@@H]1SCC[N@@H+](C[C@H](O)CN)[C@H]1C ZINC000132332402 371793729 /nfs/dbraw/zinc/79/37/29/371793729.db2.gz QPAZHGXTIRVRKB-XHNCKOQMSA-N 1 3 204.339 0.132 10 0 BCAEHO C[C@@H](C[NH3+])NC1CC(NC(=O)OC(C)(C)C)C1 ZINC000227581039 371900045 /nfs/dbraw/zinc/90/00/45/371900045.db2.gz CPDSNCBDVQCWMQ-IDKOKCKLSA-N 1 3 243.351 0.979 10 0 BCAEHO [NH3+][C@@H]1COC[C@@H]1CN1CCCSCC1 ZINC000227617314 371905938 /nfs/dbraw/zinc/90/59/38/371905938.db2.gz VYOPFWFLASGBSZ-VHSXEESVSA-N 1 3 216.350 0.399 10 0 BCAEHO C[C@@H]1CN(CCOCC2CC2)C[C@H]1C[NH3+] ZINC000631839781 372634729 /nfs/dbraw/zinc/63/47/29/372634729.db2.gz KSGDMLNTHWHVQS-ZYHUDNBSSA-N 1 3 212.337 0.940 10 0 BCAEHO O=C(C[C@H]1CC[NH2+]C1)N1CCN2CCC[C@@H]2C1 ZINC000227644979 182029384 /nfs/dbraw/zinc/02/93/84/182029384.db2.gz DDRSYEMVGYEYBQ-VXGBXAGGSA-N 1 3 237.347 0.293 10 0 BCAEHO OC1(CN2CCO[C@@H]3CCC[C@H]32)CC[NH2+]CC1 ZINC000051016349 183017923 /nfs/dbraw/zinc/01/79/23/183017923.db2.gz SKPCDHBVKIZULE-VXGBXAGGSA-N 1 3 240.347 0.354 10 0 BCAEHO OCC1(N2CCC[NH2+]CC2)CCCCC1 ZINC000038117310 183036526 /nfs/dbraw/zinc/03/65/26/183036526.db2.gz XROQEEJLWDGECS-UHFFFAOYSA-N 1 3 212.337 0.977 10 0 BCAEHO OCCN1CCCN(CC[NH+]2CCCC2)CC1 ZINC000071349774 183072157 /nfs/dbraw/zinc/07/21/57/183072157.db2.gz LAGVHYYLWPQUJX-UHFFFAOYSA-N 1 3 241.379 0.082 10 0 BCAEHO CCC[N@H+](C)[C@H]1CC2(CC[C@@H]1N)OCCO2 ZINC000037098292 169088520 /nfs/dbraw/zinc/08/85/20/169088520.db2.gz IXOPDSPLHJIQOM-QWRGUYRKSA-N 1 3 228.336 0.951 10 0 BCAEHO CCC[N@@H+](C)[C@H]1CC2(CC[C@@H]1N)OCCO2 ZINC000037098292 169088521 /nfs/dbraw/zinc/08/85/21/169088521.db2.gz IXOPDSPLHJIQOM-QWRGUYRKSA-N 1 3 228.336 0.951 10 0 BCAEHO CCCN1CCN([C@H]2CCC[C@@H]2[NH3+])CC1 ZINC000019257148 169205771 /nfs/dbraw/zinc/20/57/71/169205771.db2.gz SCGPOYLIOLTDRB-RYUDHWBXSA-N 1 3 211.353 0.894 10 0 BCAEHO CCC[NH2+]CCNC(=O)[C@@H](N)CCC ZINC000236783014 169258080 /nfs/dbraw/zinc/25/80/80/169258080.db2.gz ZKTFZZHWSCULMK-VIFPVBQESA-N 1 3 201.314 0.230 10 0 BCAEHO CCCNC[C@@H](O)C[N@H+](CCOC)CC(C)C ZINC000042368655 169262130 /nfs/dbraw/zinc/26/21/30/169262130.db2.gz JZLDUUIOIIOWOC-CYBMUJFWSA-N 1 3 246.395 0.951 10 0 BCAEHO CCCNC[C@@H](O)C[N@@H+](CCOC)CC(C)C ZINC000042368655 169262131 /nfs/dbraw/zinc/26/21/31/169262131.db2.gz JZLDUUIOIIOWOC-CYBMUJFWSA-N 1 3 246.395 0.951 10 0 BCAEHO CCC[C@@H](N)C(=O)N1CCC(C[NH+](C)C)CC1 ZINC000037826116 169388375 /nfs/dbraw/zinc/38/83/75/169388375.db2.gz RYIBMQUHUSCMGE-GFCCVEGCSA-N 1 3 241.379 0.914 10 0 BCAEHO CCC[C@@H](N)C(=O)NCCC[NH+]1CCCC1 ZINC000036873141 169389415 /nfs/dbraw/zinc/38/94/15/169389415.db2.gz WWCHVLQWBIXSDF-LLVKDONJSA-N 1 3 227.352 0.716 10 0 BCAEHO CCC[C@@H](N)C(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC000059931016 169389714 /nfs/dbraw/zinc/38/97/14/169389714.db2.gz DVDQUXFCLQZRHI-NWDGAFQWSA-N 1 3 241.379 0.962 10 0 BCAEHO COC(=O)CCN1CCCC[C@@H]1CC[NH3+] ZINC000069721051 383842311 /nfs/dbraw/zinc/84/23/11/383842311.db2.gz UBVSETMIRVBZBE-SNVBAGLBSA-N 1 3 214.309 0.753 10 0 BCAEHO CC[C@H](N)C(=O)N1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000309427900 384216622 /nfs/dbraw/zinc/21/66/22/384216622.db2.gz KOFTVSGSWKPOAV-DTWKUNHWSA-N 1 3 213.325 0.310 10 0 BCAEHO C[C@@H]1[NH2+]CCC[C@H]1C(=O)N1CCCNCC1 ZINC000335593357 384362241 /nfs/dbraw/zinc/36/22/41/384362241.db2.gz DUDBGSOLAJLGBH-WDEREUQCSA-N 1 3 225.336 0.196 10 0 BCAEHO CCCCN(C)CCNC(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000236712626 384556170 /nfs/dbraw/zinc/55/61/70/384556170.db2.gz SWEJAHJATFWWBT-VXGBXAGGSA-N 1 3 241.379 0.962 10 0 BCAEHO [NH3+]C[C@@H]1CCN(C[C@@H]2CCOCO2)C1 ZINC000050248476 384612388 /nfs/dbraw/zinc/61/23/88/384612388.db2.gz GGIDJBOQDRMPEF-UWVGGRQHSA-N 1 3 200.282 0.030 10 0 BCAEHO C[C@H](N)C(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000011953683 384814596 /nfs/dbraw/zinc/81/45/96/384814596.db2.gz VDCOJOKYOQQKNN-JTQLQIEISA-N 1 3 227.352 0.714 10 0 BCAEHO C[N@H+](CC(C)(C)CN)CC1(O)CCOCC1 ZINC000167220622 385302707 /nfs/dbraw/zinc/30/27/07/385302707.db2.gz UARLKQTWFYRCGL-UHFFFAOYSA-N 1 3 230.352 0.445 10 0 BCAEHO C[N@@H+](CC(C)(C)CN)CC1(O)CCOCC1 ZINC000167220622 385302709 /nfs/dbraw/zinc/30/27/09/385302709.db2.gz UARLKQTWFYRCGL-UHFFFAOYSA-N 1 3 230.352 0.445 10 0 BCAEHO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H](C)N ZINC000157964278 385317160 /nfs/dbraw/zinc/31/71/60/385317160.db2.gz CQJYZBHHVPYHDE-GHMZBOCLSA-N 1 3 227.352 0.570 10 0 BCAEHO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H](C)N ZINC000157964278 385317165 /nfs/dbraw/zinc/31/71/65/385317165.db2.gz CQJYZBHHVPYHDE-GHMZBOCLSA-N 1 3 227.352 0.570 10 0 BCAEHO CC(C)C[C@H](C)NC[C@@H]1C[NH2+]C[C@@H]1O ZINC000336649812 385595096 /nfs/dbraw/zinc/59/50/96/385595096.db2.gz IOKATZYCRDFOGI-DCAQKATOSA-N 1 3 200.326 0.591 10 0 BCAEHO CC(C)C[C@H](C)[NH2+]C[C@@H]1CNC[C@@H]1O ZINC000336649812 385595100 /nfs/dbraw/zinc/59/51/00/385595100.db2.gz IOKATZYCRDFOGI-DCAQKATOSA-N 1 3 200.326 0.591 10 0 BCAEHO CN1CCC(NC(=O)C[C@@H]2CCC[NH2+]C2)CC1 ZINC000054290791 385610009 /nfs/dbraw/zinc/61/00/09/385610009.db2.gz LIEPLDRACFVSJF-NSHDSACASA-N 1 3 239.363 0.587 10 0 BCAEHO CN1CCC[C@H]([NH2+][C@H]2CCCC[C@@H]2N)C1 ZINC000259130861 385654957 /nfs/dbraw/zinc/65/49/57/385654957.db2.gz UEFMNCCKSHXUJS-SRVKXCTJSA-N 1 3 211.353 0.940 10 0 BCAEHO CN1CCC[C@H](N[C@H]2CCCC[C@@H]2[NH3+])C1 ZINC000259130861 385654961 /nfs/dbraw/zinc/65/49/61/385654961.db2.gz UEFMNCCKSHXUJS-SRVKXCTJSA-N 1 3 211.353 0.940 10 0 BCAEHO O=C(CC[C@H]1CCC[NH2+]1)N1CCCNCC1 ZINC000309540995 385674363 /nfs/dbraw/zinc/67/43/63/385674363.db2.gz FXPIOHYVVXVLGN-LLVKDONJSA-N 1 3 225.336 0.341 10 0 BCAEHO C[C@H]([NH3+])CCC(=O)N1CCN2CCC[C@H]2C1 ZINC000251198826 385934996 /nfs/dbraw/zinc/93/49/96/385934996.db2.gz KJWHFDUZICYSGN-QWRGUYRKSA-N 1 3 225.336 0.420 10 0 BCAEHO C[NH+](C)[C@H]1CCN(C(=O)C(N)C(F)(F)F)C1 ZINC000335053490 385951781 /nfs/dbraw/zinc/95/17/81/385951781.db2.gz XKLAVGRCGOPSJW-BQBZGAKWSA-N 1 3 239.241 0.039 10 0 BCAEHO CC(C)[C@](C)(CO)N1CCC[NH2+]CC1 ZINC000052883990 386278545 /nfs/dbraw/zinc/27/85/45/386278545.db2.gz KNQUPTJIOIFCGI-NSHDSACASA-N 1 3 200.326 0.689 10 0 BCAEHO CN(C)[C@H]1CCN(C(=O)CC2CC[NH2+]CC2)C1 ZINC000062971958 386534641 /nfs/dbraw/zinc/53/46/41/386534641.db2.gz SFJQCRFZYPHERO-LBPRGKRZSA-N 1 3 239.363 0.539 10 0 BCAEHO CN(C)[C@H]1CCN(C(=O)[C@H]2CCCC[NH2+]2)C1 ZINC000062972174 386536387 /nfs/dbraw/zinc/53/63/87/386536387.db2.gz GCOVDYBNOHCZCV-WDEREUQCSA-N 1 3 225.336 0.291 10 0 BCAEHO CN(C)[C@@H]1CCN(C(=O)C[NH2+]CC2CC2)C1 ZINC000062972195 386536443 /nfs/dbraw/zinc/53/64/43/386536443.db2.gz MDFATHABXDBJRH-LLVKDONJSA-N 1 3 225.336 0.149 10 0 BCAEHO [NH3+][C@@H]1CC[C@@H](C(=O)N2CCN3CCC2CC3)C1 ZINC000335463694 386548953 /nfs/dbraw/zinc/54/89/53/386548953.db2.gz NIEFICXZNYBSAZ-GHMZBOCLSA-N 1 3 237.347 0.420 10 0 BCAEHO CN(C)[C@H]1CCN(C(=O)[C@H]2CCC[NH2+]C2)C1 ZINC000062972184 387189159 /nfs/dbraw/zinc/18/91/59/387189159.db2.gz PRQITFHJMDSCLR-QWRGUYRKSA-N 1 3 225.336 0.149 10 0 BCAEHO CN(C)[C@@H]1CCN(C(=O)[C@]2(C)CC[NH2+]C2)C1 ZINC000062972094 387190044 /nfs/dbraw/zinc/19/00/44/387190044.db2.gz AACNKRFNAPDOPY-ZYHUDNBSSA-N 1 3 225.336 0.149 10 0 BCAEHO CCCNC(=O)CCN[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000643454474 387384915 /nfs/dbraw/zinc/38/49/15/387384915.db2.gz BSRLEIUVIPIOHM-NEPJUHHUSA-N 1 3 241.379 0.880 10 0 BCAEHO C[C@@H]1NC(=O)CC[C@H]1[NH2+]CC[C@@H]1CCCN1C ZINC000440964592 387719923 /nfs/dbraw/zinc/71/99/23/387719923.db2.gz RRBVOLWVDRIZDJ-SDDRHHMPSA-N 1 3 239.363 0.727 10 0 BCAEHO C[C@@H]1NC(=O)CC[C@H]1NCC[C@@H]1CCC[N@@H+]1C ZINC000440964592 387719928 /nfs/dbraw/zinc/71/99/28/387719928.db2.gz RRBVOLWVDRIZDJ-SDDRHHMPSA-N 1 3 239.363 0.727 10 0 BCAEHO C[C@@H]1NC(=O)CC[C@H]1NCC[C@@H]1CCC[N@H+]1C ZINC000440964592 387719932 /nfs/dbraw/zinc/71/99/32/387719932.db2.gz RRBVOLWVDRIZDJ-SDDRHHMPSA-N 1 3 239.363 0.727 10 0 BCAEHO CCC[C@H](N)C(=O)N1CCC[C@H](C[NH3+])C1 ZINC000236804700 387908353 /nfs/dbraw/zinc/90/83/53/387908353.db2.gz VNDFJKPSSAIIAO-ZJUUUORDSA-N 1 3 213.325 0.311 10 0 BCAEHO CCC[C@@H](N)C(=O)NC1(C[NH3+])CCCC1 ZINC000261552300 135191540 /nfs/dbraw/zinc/19/15/40/135191540.db2.gz RAOJQAXFHLJSIZ-SECBINFHSA-N 1 3 213.325 0.502 10 0 BCAEHO C[C@@]1(C(=O)N2CCN3CCC[C@H]3C2)CCC[NH2+]1 ZINC000250803633 388740636 /nfs/dbraw/zinc/74/06/36/388740636.db2.gz PSIFQVKECNDDPM-AAEUAGOBSA-N 1 3 237.347 0.435 10 0 BCAEHO COC(=O)CCN(C)[C@@H]1CCC[NH2+]CC1 ZINC000226465844 388719505 /nfs/dbraw/zinc/71/95/05/388719505.db2.gz SJRNQJJFZLEKRK-SNVBAGLBSA-N 1 3 214.309 0.623 10 0 BCAEHO COCCN(C)CCN[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000566091053 388985053 /nfs/dbraw/zinc/98/50/53/388985053.db2.gz YOSSZVPTVPRABU-OLZOCXBDSA-N 1 3 243.395 0.542 10 0 BCAEHO [NH3+]CCCCN1CCN(c2cnccn2)CC1 ZINC000037039496 132343481 /nfs/dbraw/zinc/34/34/81/132343481.db2.gz HKMSGDHYCSNJPB-UHFFFAOYSA-N 1 3 235.335 0.338 10 0 BCAEHO Cc1ccc(N2CCN(CCCC[NH3+])CC2)nn1 ZINC000041074728 132349423 /nfs/dbraw/zinc/34/94/23/132349423.db2.gz KIIKERQSZYFCBT-UHFFFAOYSA-N 1 3 249.362 0.646 10 0 BCAEHO Cc1c(CNCCOCC[NH+](C)C)cnn1C ZINC000226744824 134370762 /nfs/dbraw/zinc/37/07/62/134370762.db2.gz JUNDKXYYXOTGDJ-UHFFFAOYSA-N 1 3 240.351 0.396 10 0 BCAEHO C[C@@H]1CN(C[C@H]2CCC[NH2+]C2)CC[C@H]1O ZINC000253195495 135124254 /nfs/dbraw/zinc/12/42/54/135124254.db2.gz QFPXZSZWQIAVIC-GRYCIOLGSA-N 1 3 212.337 0.689 10 0 BCAEHO C[C@@H]1C[N@H+](C[C@H]2CCCNC2)CC[C@H]1O ZINC000253195495 135124255 /nfs/dbraw/zinc/12/42/55/135124255.db2.gz QFPXZSZWQIAVIC-GRYCIOLGSA-N 1 3 212.337 0.689 10 0 BCAEHO C[C@@H]1C[N@@H+](C[C@H]2CCCNC2)CC[C@H]1O ZINC000253195495 135124257 /nfs/dbraw/zinc/12/42/57/135124257.db2.gz QFPXZSZWQIAVIC-GRYCIOLGSA-N 1 3 212.337 0.689 10 0 BCAEHO CC1(C)CN(C[C@@H]2CCC[NH2+]C2)C[C@@H]1O ZINC000261545439 135147628 /nfs/dbraw/zinc/14/76/28/135147628.db2.gz JZOBFWKSMRUWJX-MNOVXSKESA-N 1 3 212.337 0.689 10 0 BCAEHO CC1(C)C[N@H+](C[C@@H]2CCCNC2)C[C@@H]1O ZINC000261545439 135147629 /nfs/dbraw/zinc/14/76/29/135147629.db2.gz JZOBFWKSMRUWJX-MNOVXSKESA-N 1 3 212.337 0.689 10 0 BCAEHO CC1(C)C[N@@H+](C[C@@H]2CCCNC2)C[C@@H]1O ZINC000261545439 135147631 /nfs/dbraw/zinc/14/76/31/135147631.db2.gz JZOBFWKSMRUWJX-MNOVXSKESA-N 1 3 212.337 0.689 10 0 BCAEHO [NH3+][C@H]1CCCC[C@@H]1CC(=O)N1CCCNCC1 ZINC000261549868 135188250 /nfs/dbraw/zinc/18/82/50/135188250.db2.gz KVEVPQIQZCHHNX-NEPJUHHUSA-N 1 3 239.363 0.716 10 0 BCAEHO C[C@@H]1[C@@H]([NH3+])CCN1C(=O)C1(N)CCCC1 ZINC000261585768 135226772 /nfs/dbraw/zinc/22/67/72/135226772.db2.gz QPMRZWAYMBQAPF-BDAKNGLRSA-N 1 3 211.309 0.206 10 0 BCAEHO CCCN(C)CC(=O)N1CC[C@H](C)C[C@H]1C[NH3+] ZINC000261849810 135257316 /nfs/dbraw/zinc/25/73/16/135257316.db2.gz QHERNBPLKYSCDZ-RYUDHWBXSA-N 1 3 241.379 0.914 10 0 BCAEHO C[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CNC[C@H]2O)[C@@H]1C ZINC000262156598 135282924 /nfs/dbraw/zinc/28/29/24/135282924.db2.gz RZUYNXXAAASQLL-NAWOPXAZSA-N 1 3 226.364 0.981 10 0 BCAEHO N[C@H](CNC(=O)C1C[NH2+]C1)c1ccccc1 ZINC000262230203 135286170 /nfs/dbraw/zinc/28/61/70/135286170.db2.gz MCVLJHUBERNBEL-LLVKDONJSA-N 1 3 219.288 0.022 10 0 BCAEHO NC1(C(=O)N[C@H]2CCC[C@@H]2C[NH3+])CCCC1 ZINC000262438436 135299574 /nfs/dbraw/zinc/29/95/74/135299574.db2.gz MRRRFSCJNFSYSS-ZJUUUORDSA-N 1 3 225.336 0.502 10 0 BCAEHO CCCN1CCC[C@@H]1C(=O)N[C@H](C[NH3+])C1CC1 ZINC000262589115 135307024 /nfs/dbraw/zinc/30/70/24/135307024.db2.gz BLWPAGBMUAVNDH-VXGBXAGGSA-N 1 3 239.363 0.714 10 0 BCAEHO C[C@@H]1[C@H](C)NCCN1C(=O)[C@@H]1CCC[C@H]([NH3+])C1 ZINC000262707854 135314423 /nfs/dbraw/zinc/31/44/23/135314423.db2.gz BYEQODHXNKXILT-QCNOEVLYSA-N 1 3 239.363 0.713 10 0 BCAEHO C[C@H](CNC[C@H]1C[NH2+]C[C@@H]1O)c1ccccc1 ZINC000263215029 135340440 /nfs/dbraw/zinc/34/04/40/135340440.db2.gz KTUYKMSAGPXNAY-XBFCOCLRSA-N 1 3 234.343 0.960 10 0 BCAEHO C[C@@H]1CCCN(CCNC(=O)C2C[NH2+]C2)C1 ZINC000263238051 135341831 /nfs/dbraw/zinc/34/18/31/135341831.db2.gz BXDBXUXIGNLZRF-SNVBAGLBSA-N 1 3 225.336 0.054 10 0 BCAEHO CC(C)[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CNC[C@H]1O ZINC000263303459 135344913 /nfs/dbraw/zinc/34/49/13/135344913.db2.gz XKIBGNOOMSKMSZ-MROQNXINSA-N 1 3 226.364 0.981 10 0 BCAEHO CC[N@H+](C)[C@@H]1CC2(CC[C@H]1N)OCCO2 ZINC000249906145 398021425 /nfs/dbraw/zinc/02/14/25/398021425.db2.gz HMJMXCPDWSXRRC-NXEZZACHSA-N 1 3 214.309 0.561 10 0 BCAEHO CC[N@@H+](C)[C@@H]1CC2(CC[C@H]1N)OCCO2 ZINC000249906145 398021428 /nfs/dbraw/zinc/02/14/28/398021428.db2.gz HMJMXCPDWSXRRC-NXEZZACHSA-N 1 3 214.309 0.561 10 0 BCAEHO O=C(CCC1C[NH2+]C1)N1CCN2CCC[C@H]2C1 ZINC000638107283 398076572 /nfs/dbraw/zinc/07/65/72/398076572.db2.gz GSRGFKJCCFETTE-LBPRGKRZSA-N 1 3 237.347 0.293 10 0 BCAEHO CC(C)[N@@H+]1CC[C@](CN)(N2CCOCC2)C1 ZINC000045658332 167027029 /nfs/dbraw/zinc/02/70/29/167027029.db2.gz YVNDSSDGOFJRTJ-GFCCVEGCSA-N 1 3 227.352 0.130 10 0 BCAEHO CC(C)[N@H+]1CC[C@](CN)(N2CCOCC2)C1 ZINC000045658332 167027033 /nfs/dbraw/zinc/02/70/33/167027033.db2.gz YVNDSSDGOFJRTJ-GFCCVEGCSA-N 1 3 227.352 0.130 10 0 BCAEHO CC(C)N1CC[C@](C[NH3+])(N2CCOCC2)C1 ZINC000045658332 167027036 /nfs/dbraw/zinc/02/70/36/167027036.db2.gz YVNDSSDGOFJRTJ-GFCCVEGCSA-N 1 3 227.352 0.130 10 0 BCAEHO CC(C)NC(=O)CN(C)CCC[C@@H]1CCC[NH2+]1 ZINC000052764526 167049365 /nfs/dbraw/zinc/04/93/65/167049365.db2.gz HEFIIMDTPQSXSC-LBPRGKRZSA-N 1 3 241.379 0.975 10 0 BCAEHO CC(C)NC(=O)C[NH2+][C@H](C)[C@@H]1CCCN(C)C1 ZINC000036781496 167060493 /nfs/dbraw/zinc/06/04/93/167060493.db2.gz BJJFANGMLXAJSD-VXGBXAGGSA-N 1 3 241.379 0.831 10 0 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173391064 /nfs/dbraw/zinc/39/10/64/173391064.db2.gz GTKVWOSKGNRFJE-UHFFFAOYSA-N 1 3 234.347 0.943 10 0 BCAEHO COCCC[NH2+]CCN(C)C1CCN(C)CC1 ZINC000053344221 174246753 /nfs/dbraw/zinc/24/67/53/174246753.db2.gz OXASCLRYMFAXNQ-UHFFFAOYSA-N 1 3 243.395 0.639 10 0 BCAEHO COCCN1C[C@H](C)C[NH2+]C[C@H](C)C1 ZINC000049665422 174317064 /nfs/dbraw/zinc/31/70/64/174317064.db2.gz ZKXFJKCYUKCGFA-PHIMTYICSA-N 1 3 200.326 0.810 10 0 BCAEHO C[C@@H]1CCC[NH2+][C@H]1C(=O)NCCN(C)C ZINC000051792057 176112350 /nfs/dbraw/zinc/11/23/50/176112350.db2.gz HVAXWHKOQVBFNY-NXEZZACHSA-N 1 3 213.325 0.052 10 0 BCAEHO C[C@@H]1CC[N@@H+](C2(CN)CCN(C)CC2)C1 ZINC000040717222 176167643 /nfs/dbraw/zinc/16/76/43/176167643.db2.gz VXOZMLQDDFYOJT-LLVKDONJSA-N 1 3 211.353 0.751 10 0 BCAEHO C[C@@H]1CC[N@H+](C2(CN)CCN(C)CC2)C1 ZINC000040717222 176167644 /nfs/dbraw/zinc/16/76/44/176167644.db2.gz VXOZMLQDDFYOJT-LLVKDONJSA-N 1 3 211.353 0.751 10 0 BCAEHO C[C@@H]1CC[C@@H](C(=O)NCCN(C)C)C[NH2+]1 ZINC000019515168 176195876 /nfs/dbraw/zinc/19/58/76/176195876.db2.gz KYHDOFFPMCBGQM-NXEZZACHSA-N 1 3 213.325 0.052 10 0 BCAEHO C[C@@H]1CC[C@@H]([NH3+])[C@H](CN2CCN(C)CC2)C1 ZINC000053861547 176209382 /nfs/dbraw/zinc/20/93/82/176209382.db2.gz AOMWFFHTLLUCQU-FRRDWIJNSA-N 1 3 225.380 0.997 10 0 BCAEHO C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1C1CCNCC1 ZINC000043501186 176221812 /nfs/dbraw/zinc/22/18/12/176221812.db2.gz VCBMVCQADTWEJS-ZJUUUORDSA-N 1 3 225.336 0.324 10 0 BCAEHO C[C@@H]1CC[C@H](C(N)=O)C[N@H+]1C1CCNCC1 ZINC000043501186 176221813 /nfs/dbraw/zinc/22/18/13/176221813.db2.gz VCBMVCQADTWEJS-ZJUUUORDSA-N 1 3 225.336 0.324 10 0 BCAEHO C[C@@H]1CC[C@H](C(N)=O)CN1C1CC[NH2+]CC1 ZINC000043501186 176221814 /nfs/dbraw/zinc/22/18/14/176221814.db2.gz VCBMVCQADTWEJS-ZJUUUORDSA-N 1 3 225.336 0.324 10 0 BCAEHO C[C@@H]1CN(CC2(O)CC[NH2+]CC2)C[C@@H](C)O1 ZINC000051015883 176285266 /nfs/dbraw/zinc/28/52/66/176285266.db2.gz BYZPPEGPPULBTF-GHMZBOCLSA-N 1 3 228.336 0.210 10 0 BCAEHO C[C@@H]1C[NH2+]C[C@H]1C(=O)N1CCC[C@@H](N(C)C)C1 ZINC000227650377 176330225 /nfs/dbraw/zinc/33/02/25/176330225.db2.gz KGWHQKPQZACPBW-IJLUTSLNSA-N 1 3 239.363 0.395 10 0 BCAEHO C[C@H]1CCCN(CC(=O)N2CCC[NH2+]CC2)C1 ZINC000042354449 177096611 /nfs/dbraw/zinc/09/66/11/177096611.db2.gz ISFGQYBJRVGSCI-LBPRGKRZSA-N 1 3 239.363 0.540 10 0 BCAEHO C[C@H]1CCC[C@@H](C(=O)NCCN(C)C)[NH2+]1 ZINC000019440252 177113432 /nfs/dbraw/zinc/11/34/32/177113432.db2.gz LTFPAMJTHOHLRH-UWVGGRQHSA-N 1 3 213.325 0.195 10 0 BCAEHO C[C@H]1CCN(CC(=O)N2CCC[NH2+]CC2)C1 ZINC000042354682 177157042 /nfs/dbraw/zinc/15/70/42/177157042.db2.gz VZOWOABIJFKVHV-NSHDSACASA-N 1 3 225.336 0.150 10 0 BCAEHO C[C@@H]1C[N@@H+](C2CCN(C)CC2)[C@@H](C)CN1 ZINC000062570456 177286612 /nfs/dbraw/zinc/28/66/12/177286612.db2.gz ZPHBMNSODBXYHJ-MNOVXSKESA-N 1 3 211.353 0.763 10 0 BCAEHO C[C@@H]1C[N@H+](C2CCN(C)CC2)[C@@H](C)CN1 ZINC000062570456 177286614 /nfs/dbraw/zinc/28/66/14/177286614.db2.gz ZPHBMNSODBXYHJ-MNOVXSKESA-N 1 3 211.353 0.763 10 0 BCAEHO C[C@H]1COCCN1C1(C[NH3+])CCN(C)CC1 ZINC000035774962 177291429 /nfs/dbraw/zinc/29/14/29/177291429.db2.gz DLNPYHDRAJZUOP-NSHDSACASA-N 1 3 227.352 0.130 10 0 BCAEHO C[C@H]1C[C@@H](C(=O)N[C@@H]2CCN(C)C2)CC[C@@H]1[NH3+] ZINC000055139808 177308269 /nfs/dbraw/zinc/30/82/69/177308269.db2.gz BUTXQYYCSORYKO-YFKTTZPYSA-N 1 3 239.363 0.570 10 0 BCAEHO C[C@H]1[NH2+]CCC[C@H]1NC(=O)C1(N)CCCC1 ZINC000193545295 177395872 /nfs/dbraw/zinc/39/58/72/177395872.db2.gz IYDYZEUAQMOMFT-NXEZZACHSA-N 1 3 225.336 0.515 10 0 BCAEHO C[C@H](NCCN1CCSCC1)[C@@H]1CC[NH2+]C1 ZINC000400344085 226341379 /nfs/dbraw/zinc/34/13/79/226341379.db2.gz IHTBPYCJCAHZNR-NWDGAFQWSA-N 1 3 243.420 0.623 10 0 BCAEHO CO[C@H](CN[C@H](C)[C@@H]1CC[NH2+]C1)C1CC1 ZINC000400367493 226342136 /nfs/dbraw/zinc/34/21/36/226342136.db2.gz FSHMUSGHEUFATR-YUSALJHKSA-N 1 3 212.337 0.999 10 0 BCAEHO C[C@H](N[C@@H]1C[C@@H](O)C1(C)C)[C@H]1CC[NH2+]C1 ZINC000400415353 226342926 /nfs/dbraw/zinc/34/29/26/226342926.db2.gz VCMBDNCKMAVVSY-UKKRHICBSA-N 1 3 212.337 0.733 10 0 BCAEHO C[C@H](NC[C@@H](O)C(C)(C)C)[C@H]1CC[NH2+]C1 ZINC000400754095 226351303 /nfs/dbraw/zinc/35/13/03/226351303.db2.gz WKUBIDVZUUTCMQ-GARJFASQSA-N 1 3 214.353 0.981 10 0 BCAEHO CC(C)[C@H](N)C(=O)N[C@@H]1CCC[NH2+][C@H]1C ZINC000193566236 487649600 /nfs/dbraw/zinc/64/96/00/487649600.db2.gz IUGVXTLMVKZRLZ-AEJSXWLSSA-N 1 3 213.325 0.226 10 0 BCAEHO CN[C@H](C)C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000054075508 487683464 /nfs/dbraw/zinc/68/34/64/487683464.db2.gz GOWISBLNXZHFNN-VXGBXAGGSA-N 1 3 239.363 0.681 10 0 BCAEHO CN[C@H](C)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000088164355 487707565 /nfs/dbraw/zinc/70/75/65/487707565.db2.gz OFSAHYRKWSIKEO-WAAKLRNESA-N 1 3 239.363 0.726 10 0 BCAEHO CN[C@H](C)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000088164355 487707567 /nfs/dbraw/zinc/70/75/67/487707567.db2.gz OFSAHYRKWSIKEO-WAAKLRNESA-N 1 3 239.363 0.726 10 0 BCAEHO C[C@H](CNC(=O)C[C@@H]1CCC[NH2+]C1)N(C)C ZINC000054292364 487709409 /nfs/dbraw/zinc/70/94/09/487709409.db2.gz KDNGFAYVYXIMEM-MNOVXSKESA-N 1 3 227.352 0.442 10 0 BCAEHO CC(C)[C@H]([NH3+])CC(=O)N1CCC[C@H]1CN(C)C ZINC000136455547 487737155 /nfs/dbraw/zinc/73/71/55/487737155.db2.gz PEAMUBYBDRTYDH-NWDGAFQWSA-N 1 3 241.379 0.912 10 0 BCAEHO CN(C)[C@H]1CCN(C(=O)CCC(C)(C)[NH3+])C1 ZINC000069634237 487757299 /nfs/dbraw/zinc/75/72/99/487757299.db2.gz XYADGYNTRSSTCM-JTQLQIEISA-N 1 3 227.352 0.666 10 0 BCAEHO O[C@H](CNC[C@@H]1CCC[C@@H]1O)C[NH+]1CCCC1 ZINC000089169183 487765121 /nfs/dbraw/zinc/76/51/21/487765121.db2.gz GDOUPAYQYPQPMN-XQQFMLRXSA-N 1 3 242.363 0.194 10 0 BCAEHO CN1CCC[C@H](NC(=O)[C@@H]2CCC[C@@H]2C[NH3+])C1 ZINC000089459232 487821620 /nfs/dbraw/zinc/82/16/20/487821620.db2.gz QYNJQLWOEXWUDI-GRYCIOLGSA-N 1 3 239.363 0.572 10 0 BCAEHO CN(C)[C@@H]1CCN(C(=O)[C@H]2CCC[C@@H]2C[NH3+])C1 ZINC000089462232 487824033 /nfs/dbraw/zinc/82/40/33/487824033.db2.gz GIUWZHWMBGHZQZ-UTUOFQBUSA-N 1 3 239.363 0.524 10 0 BCAEHO CC(C)C[C@@H](N)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000157710831 487919014 /nfs/dbraw/zinc/91/90/14/487919014.db2.gz GHFKCESTZHXXMK-VHSXEESVSA-N 1 3 213.325 0.310 10 0 BCAEHO CCC[C@H](N)C(=O)N1C[C@H](C[NH3+])C[C@H]1C ZINC000309361342 323345677 /nfs/dbraw/zinc/34/56/77/323345677.db2.gz AMJIWXLOXJTNQG-UTLUCORTSA-N 1 3 213.325 0.310 10 0 BCAEHO CN1CCC[C@@H]1CN(C=O)CCC[NH+](C)C ZINC000584659132 488021125 /nfs/dbraw/zinc/02/11/25/488021125.db2.gz SUTKLQYWKCXLTA-GFCCVEGCSA-N 1 3 227.352 0.491 10 0 BCAEHO CCN1CCC[C@@H]1CN(C)C(=O)C[NH2+]C(C)C ZINC000092630021 488099054 /nfs/dbraw/zinc/09/90/54/488099054.db2.gz RAUJWCVDCZKSAQ-GFCCVEGCSA-N 1 3 241.379 0.927 10 0 BCAEHO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)CNC(C)C ZINC000092630021 488099058 /nfs/dbraw/zinc/09/90/58/488099058.db2.gz RAUJWCVDCZKSAQ-GFCCVEGCSA-N 1 3 241.379 0.927 10 0 BCAEHO CC[N@H+]1CCC[C@@H]1CN(C)C(=O)CNC(C)C ZINC000092630021 488099063 /nfs/dbraw/zinc/09/90/63/488099063.db2.gz RAUJWCVDCZKSAQ-GFCCVEGCSA-N 1 3 241.379 0.927 10 0 BCAEHO CC(C)[C@H]([NH3+])CC(=O)N1CCN2CCC[C@@H]2C1 ZINC000136392296 488101573 /nfs/dbraw/zinc/10/15/73/488101573.db2.gz BAYOOJPYOUYMFH-VXGBXAGGSA-N 1 3 239.363 0.666 10 0 BCAEHO CC(C)[C@@H]([NH3+])CC(=O)N1CCC[C@H](N(C)C)C1 ZINC000136479812 488106090 /nfs/dbraw/zinc/10/60/90/488106090.db2.gz QDGZHMMDUDRCCP-RYUDHWBXSA-N 1 3 241.379 0.912 10 0 BCAEHO C[C@H](CNC(=O)[C@@H]1CCC[NH2+]1)N1CCCC1 ZINC000161052661 487473716 /nfs/dbraw/zinc/47/37/16/487473716.db2.gz KPABMWNJILRHIK-MNOVXSKESA-N 1 3 225.336 0.339 10 0 BCAEHO CCN1CCC[C@H](NC(=O)CC2([NH3+])CCC2)C1 ZINC000094294962 487526284 /nfs/dbraw/zinc/52/62/84/487526284.db2.gz JNFMQWXWDORLNU-NSHDSACASA-N 1 3 239.363 0.858 10 0 BCAEHO [NH3+]C1(CC(=O)N2CCN3CCC[C@H]3C2)CCC1 ZINC000094294574 487526438 /nfs/dbraw/zinc/52/64/38/487526438.db2.gz VUUGATJDGLBYMI-NSHDSACASA-N 1 3 237.347 0.565 10 0 BCAEHO CN1CCC[C@H](NC(=O)[C@@H]2CC[C@@H]([NH3+])C2)C1 ZINC000227799731 488092779 /nfs/dbraw/zinc/09/27/79/488092779.db2.gz VANYUSSQEWOQAW-MXWKQRLJSA-N 1 3 225.336 0.324 10 0 BCAEHO [NH3+]CC[C@H]1CC[C@@H](c2cncnc2)NC1 ZINC000757218606 582562163 /nfs/dbraw/zinc/56/21/63/582562163.db2.gz VGZWHQXLTYLDJH-KOLCDFICSA-N 1 3 206.293 0.866 10 0 BCAEHO C[C@H](NC[C@H](O)C(C)(C)C)[C@H]1CC[NH2+]C1 ZINC000400754092 533898229 /nfs/dbraw/zinc/89/82/29/533898229.db2.gz WKUBIDVZUUTCMQ-DCAQKATOSA-N 1 3 214.353 0.981 10 0 BCAEHO CCOC(=O)C[C@H](N)[C@H]1CCC[N@H+](C)C1 ZINC000260392152 582880246 /nfs/dbraw/zinc/88/02/46/582880246.db2.gz KJIKZLHMGWPNNM-UWVGGRQHSA-N 1 3 214.309 0.609 10 0 BCAEHO CCOC(=O)C[C@H](N)[C@H]1CCC[N@@H+](C)C1 ZINC000260392152 582880250 /nfs/dbraw/zinc/88/02/50/582880250.db2.gz KJIKZLHMGWPNNM-UWVGGRQHSA-N 1 3 214.309 0.609 10 0 BCAEHO CC(C)C[C@H](CO)N[C@H](C)[C@@H]1CC[NH2+]C1 ZINC000400336031 528549306 /nfs/dbraw/zinc/54/93/06/528549306.db2.gz DHOJGNOSDHRFLH-IJLUTSLNSA-N 1 3 214.353 0.981 10 0 BCAEHO CC(C)C[C@H](CO)N[C@H](C)[C@H]1CC[NH2+]C1 ZINC000400336030 528550244 /nfs/dbraw/zinc/55/02/44/528550244.db2.gz DHOJGNOSDHRFLH-GRYCIOLGSA-N 1 3 214.353 0.981 10 0 BCAEHO CC(C)N(C)CCN[C@@H](C)[C@@H]1CC[NH2+]C1 ZINC000400347802 528823763 /nfs/dbraw/zinc/82/37/63/528823763.db2.gz IISFDNAJHHQZMD-NWDGAFQWSA-N 1 3 213.369 0.914 10 0 BCAEHO CC(C)[C@@H](N)C(=O)N[C@H]1CCC[NH2+][C@@H]1C ZINC000261573409 535208081 /nfs/dbraw/zinc/20/80/81/535208081.db2.gz IUGVXTLMVKZRLZ-KXUCPTDWSA-N 1 3 213.325 0.226 10 0 BCAEHO CCC[C@@H](N)C(=O)N[C@H](C[NH3+])CC(C)C ZINC000261556272 535346984 /nfs/dbraw/zinc/34/69/84/535346984.db2.gz VWXZLMCUEHGTIN-VHSXEESVSA-N 1 3 215.341 0.603 10 0 BCAEHO CC[C@@H](C)[C@@H](N)C(=O)N(C)CC(C)(C)C[NH3+] ZINC000262591318 535653360 /nfs/dbraw/zinc/65/33/60/535653360.db2.gz TXSWSACESAVJGX-NXEZZACHSA-N 1 3 229.368 0.803 10 0 BCAEHO CCC[C@H](N)C(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000262438442 535679447 /nfs/dbraw/zinc/67/94/47/535679447.db2.gz MRXQKUBWYBAVIQ-VWYCJHECSA-N 1 3 227.352 0.748 10 0 BCAEHO CCC[C@H](N)C(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000262438439 535679568 /nfs/dbraw/zinc/67/95/68/535679568.db2.gz MRXQKUBWYBAVIQ-DCAQKATOSA-N 1 3 227.352 0.748 10 0 BCAEHO c1nn(C2C[NH2+]C2)c2ncc(CNC3CC3)cc12 ZINC000725259277 566305932 /nfs/dbraw/zinc/30/59/32/566305932.db2.gz UWDDANJPVPYGMI-UHFFFAOYSA-N 1 3 243.314 0.828 10 0 BCAEHO CCn1cc([C@@H]2CNC[C@H](C[NH3+])C2)cn1 ZINC000757234641 582563167 /nfs/dbraw/zinc/56/31/67/582563167.db2.gz LAVIZYNQETYLRB-UWVGGRQHSA-N 1 3 208.309 0.555 10 0 BCAEHO CCn1cc([C@@H]2C[NH2+]C[C@H](CN)C2)cn1 ZINC000757234641 582563169 /nfs/dbraw/zinc/56/31/69/582563169.db2.gz LAVIZYNQETYLRB-UWVGGRQHSA-N 1 3 208.309 0.555 10 0 BCAEHO CC(C)(C)OC(=O)[C@@H]1CNCC12C[NH2+]C2 ZINC000757186044 586434558 /nfs/dbraw/zinc/43/45/58/586434558.db2.gz VKBAMHGLCAHLML-QMMMGPOBSA-N 1 3 212.293 0.137 10 0 BCAEHO N[C@H]1CC[NH2+]C[C@H]1c1ccc(C=O)s1 ZINC000757211738 586437210 /nfs/dbraw/zinc/43/72/10/586437210.db2.gz IRRNYTIDPJLBBJ-BDAKNGLRSA-N 1 3 210.302 0.965 10 0 BCAEHO C[C@H]1CN(c2ccncc2CO)C[C@@H]1[NH+](C)C ZINC000124784093 634433694 /nfs/dbraw/zinc/43/36/94/634433694.db2.gz LKDHAPISNFVFEH-GWCFXTLKSA-N 1 3 235.331 0.960 10 0 BCAEHO CCC[C@H](N)C(=O)N1CCCC[C@H]1[C@@H](C)[NH3+] ZINC000236801621 635258355 /nfs/dbraw/zinc/25/83/55/635258355.db2.gz ZLONKSFBACPIAV-VWYCJHECSA-N 1 3 227.352 0.842 10 0 BCAEHO [NH3+][C@@H]1CC[C@@H](C(=O)N[C@@H]2CCN(C3CC3)C2)C1 ZINC000227804501 632940994 /nfs/dbraw/zinc/94/09/94/632940994.db2.gz MMLXWUOOOPBODM-GMTAPVOTSA-N 1 3 237.347 0.467 10 0 BCAEHO CC(C)OC[C@@H](O)CN1CC[C@@](C)(C[NH3+])C1 ZINC000309456957 633088303 /nfs/dbraw/zinc/08/83/03/633088303.db2.gz SRHRURDGGORAFH-RYUDHWBXSA-N 1 3 230.352 0.443 10 0 BCAEHO CCN1CCC[C@@H](NC(=O)C[C@@H](C)[NH3+])C1 ZINC000040503648 633817109 /nfs/dbraw/zinc/81/71/09/633817109.db2.gz AXWPSOHNQKUUOI-NXEZZACHSA-N 1 3 213.325 0.324 10 0 BCAEHO CC(C)OC[C@H](O)CN1CC[C@](C)(C[NH3+])C1 ZINC000309456958 633921309 /nfs/dbraw/zinc/92/13/09/633921309.db2.gz SRHRURDGGORAFH-VXGBXAGGSA-N 1 3 230.352 0.443 10 0 BCAEHO CC(C)N(C)C[C@@H](O)C[N@@H+]1C[C@H](C)C[C@@H](O)C1 ZINC000401599190 640966752 /nfs/dbraw/zinc/96/67/52/640966752.db2.gz YGQZMLCAPAZOAJ-JHJVBQTASA-N 1 3 244.379 0.390 10 0 BCAEHO CC(C)N(C)C[C@@H](O)C[N@H+]1C[C@H](C)C[C@@H](O)C1 ZINC000401599190 640966758 /nfs/dbraw/zinc/96/67/58/640966758.db2.gz YGQZMLCAPAZOAJ-JHJVBQTASA-N 1 3 244.379 0.390 10 0 BCAEHO CN(C[C@H](O)C1CC1)C[C@@H]1CC[N@H+](C)C1 ZINC000068909576 642808756 /nfs/dbraw/zinc/80/87/56/642808756.db2.gz ZNXHHDJUJQJXMS-PWSUYJOCSA-N 1 3 212.337 0.641 10 0 BCAEHO CN(C[C@H](O)C1CC1)C[C@@H]1CC[N@@H+](C)C1 ZINC000068909576 642808760 /nfs/dbraw/zinc/80/87/60/642808760.db2.gz ZNXHHDJUJQJXMS-PWSUYJOCSA-N 1 3 212.337 0.641 10 0 BCAEHO NC(=O)[C@@H]1CCN1[C@@H]1CCC[C@@H](C[NH3+])C1 ZINC000757155221 643346293 /nfs/dbraw/zinc/34/62/93/643346293.db2.gz FKNQKQSPHQWEJD-BBBLOLIVSA-N 1 3 211.309 0.064 10 0 BCAEHO CC(C)OC[C@@H](O)CN(C)CC(C)(C)C[NH3+] ZINC000086638517 644157925 /nfs/dbraw/zinc/15/79/25/644157925.db2.gz ONICGYBVYDLWOJ-NSHDSACASA-N 1 3 232.368 0.689 10 0 BCAEHO CC(C)N(C)CC(=O)N[C@H]1CCC[C@H]1C[NH3+] ZINC000246743167 644603945 /nfs/dbraw/zinc/60/39/45/644603945.db2.gz ZGOPTWBNDHSSRV-QWRGUYRKSA-N 1 3 227.352 0.570 10 0 BCAEHO COC[C@H](O)CN(C)[C@H]1CCC[NH2+]CC1 ZINC000252787057 644907037 /nfs/dbraw/zinc/90/70/37/644907037.db2.gz QBYRXJNONYNHRI-WDEREUQCSA-N 1 3 216.325 0.068 10 0 BCAEHO C[C@H](NCC1CC[NH2+]CC1)c1cn(C)nn1 ZINC000720584274 712854549 /nfs/dbraw/zinc/85/45/49/712854549.db2.gz PWIDCASSLVVETM-VIFPVBQESA-N 1 3 223.324 0.465 10 0 BCAEHO NC[C@H]1CCCC[C@@H]1[NH2+]C1CC(C(N)=O)C1 ZINC000716772002 712573007 /nfs/dbraw/zinc/57/30/07/712573007.db2.gz XZRNURBBYMQLGV-SFXRXQKFSA-N 1 3 225.336 0.357 10 0 BCAEHO C[C@@H](CNC(=O)[C@@H]1CCC[NH2+]1)N1CCCCC1 ZINC000038029416 712800032 /nfs/dbraw/zinc/80/00/32/712800032.db2.gz FTHUADGWMBLXDA-RYUDHWBXSA-N 1 3 239.363 0.729 10 0 BCAEHO CCC(CC)(C[NH3+])C(=O)N1CC[C@@H](N(C)C)C1 ZINC000062967613 168321072 /nfs/dbraw/zinc/32/10/72/168321072.db2.gz GLMNMQGFLGNLIF-LLVKDONJSA-N 1 3 241.379 0.914 10 0 BCAEHO CCN1CCC[C@@H]1CN(C)C(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000649328261 398146138 /nfs/dbraw/zinc/14/61/38/398146138.db2.gz JQSCXYHICAVJGV-GRYCIOLGSA-N 1 3 239.363 0.666 10 0 BCAEHO CCN1CCC[C@H]1CN(C)C(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000649328262 398146212 /nfs/dbraw/zinc/14/62/12/398146212.db2.gz JQSCXYHICAVJGV-TUAOUCFPSA-N 1 3 239.363 0.666 10 0 BCAEHO CC(C)[NH2+]CCC(=O)N1CC[C@@H](N(C)C)C1 ZINC000062972438 349503530 /nfs/dbraw/zinc/50/35/30/349503530.db2.gz LLCOHNJWONRXLZ-LLVKDONJSA-N 1 3 227.352 0.537 10 0 BCAEHO C[C@H](N)[C@H](C)[NH+]1CCC([C@H](C)O)CC1 ZINC000307511897 398173885 /nfs/dbraw/zinc/17/38/85/398173885.db2.gz LXEQDSOWDMSERX-GUBZILKMSA-N 1 3 200.326 0.815 10 0 BCAEHO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)[C@H](N)C(C)C ZINC000092629549 398235745 /nfs/dbraw/zinc/23/57/45/398235745.db2.gz MPAIKBUXONYRDA-NWDGAFQWSA-N 1 3 241.379 0.912 10 0 BCAEHO CC[N@H+]1CCC[C@H]1CN(C)C(=O)[C@H](N)C(C)C ZINC000092629549 398235748 /nfs/dbraw/zinc/23/57/48/398235748.db2.gz MPAIKBUXONYRDA-NWDGAFQWSA-N 1 3 241.379 0.912 10 0 BCAEHO CCC[C@@](C)(N)C(=O)NC[C@@H]1CC[NH2+]C1 ZINC000381491964 398259748 /nfs/dbraw/zinc/25/97/48/398259748.db2.gz YGFBMPKSEBCVNW-MWLCHTKSSA-N 1 3 213.325 0.230 10 0 BCAEHO CCC[C@@H](N)C(=O)NC(C)(C)CCC[NH3+] ZINC000378865187 346849571 /nfs/dbraw/zinc/84/95/71/346849571.db2.gz YTOYPICOPBQVSV-SECBINFHSA-N 1 3 215.341 0.748 10 0 BCAEHO Cc1cnn(CCN2C[C@H](C)[C@H](C[NH3+])C2)c1 ZINC000631838662 398285874 /nfs/dbraw/zinc/28/58/74/398285874.db2.gz SKXJRDRUHUSHPI-NWDGAFQWSA-N 1 3 222.336 0.718 10 0 BCAEHO C[C@H](CN1CCSC[C@@H]1C)C(N)=[NH2+] ZINC000069761059 342839721 /nfs/dbraw/zinc/83/97/21/342839721.db2.gz JBPGQCCKYLLMBL-SFYZADRCSA-N 1 3 201.339 0.996 10 0 BCAEHO CC[C@H](C)[C@@H](N)C(=O)NCC[C@H](C)[NH3+] ZINC000308976552 342879161 /nfs/dbraw/zinc/87/91/61/342879161.db2.gz GTUYSUUHKNRYKI-XHNCKOQMSA-N 1 3 201.314 0.213 10 0 BCAEHO C[C@H](CNC(=O)[C@H]1CC[C@H]([NH3+])C1)N(C)C1CC1 ZINC000167337131 136245431 /nfs/dbraw/zinc/24/54/31/136245431.db2.gz CMQQMNGNRBYMJH-VWYCJHECSA-N 1 3 239.363 0.713 10 0 BCAEHO CCC[C@@H](N)C(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000236905212 259348537 /nfs/dbraw/zinc/34/85/37/259348537.db2.gz VNDFJKPSSAIIAO-VHSXEESVSA-N 1 3 213.325 0.311 10 0 BCAEHO CCC[C@H](N)C(=O)N(C)C1CC[NH2+]CC1 ZINC000237034493 343121529 /nfs/dbraw/zinc/12/15/29/343121529.db2.gz UKXNIDZALUGHMF-JTQLQIEISA-N 1 3 213.325 0.324 10 0 BCAEHO CCC[C@H](N)C(=O)N1CC[C@@H]([NH3+])C[C@@H]1C ZINC000236808879 343113187 /nfs/dbraw/zinc/11/31/87/343113187.db2.gz XJVSAUFVIVUECJ-AEJSXWLSSA-N 1 3 213.325 0.452 10 0 BCAEHO CCC[C@@H](N)C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000236962391 343116082 /nfs/dbraw/zinc/11/60/82/343116082.db2.gz RORXKMAGFTWYFA-VHSXEESVSA-N 1 3 213.325 0.230 10 0 BCAEHO CC[C@@H](O)CN(C)C[C@@H]1CC[N@H+](C)C1 ZINC000070822831 343341294 /nfs/dbraw/zinc/34/12/94/343341294.db2.gz GAHNXBKLQJUTEV-GHMZBOCLSA-N 1 3 200.326 0.641 10 0 BCAEHO CC[C@@H](O)CN(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000070822831 343341295 /nfs/dbraw/zinc/34/12/95/343341295.db2.gz GAHNXBKLQJUTEV-GHMZBOCLSA-N 1 3 200.326 0.641 10 0 BCAEHO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)CNC ZINC000086188867 343613688 /nfs/dbraw/zinc/61/36/88/343613688.db2.gz CUHPQQODOOHAPQ-SNVBAGLBSA-N 1 3 213.325 0.149 10 0 BCAEHO CC[N@H+]1CCC[C@@H]1CN(C)C(=O)CNC ZINC000086188867 343613689 /nfs/dbraw/zinc/61/36/89/343613689.db2.gz CUHPQQODOOHAPQ-SNVBAGLBSA-N 1 3 213.325 0.149 10 0 BCAEHO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)[C@H](C)N ZINC000086188863 343613977 /nfs/dbraw/zinc/61/39/77/343613977.db2.gz PZGFLEBUPBKANG-VHSXEESVSA-N 1 3 213.325 0.276 10 0 BCAEHO CC[N@H+]1CCC[C@@H]1CN(C)C(=O)[C@H](C)N ZINC000086188863 343613978 /nfs/dbraw/zinc/61/39/78/343613978.db2.gz PZGFLEBUPBKANG-VHSXEESVSA-N 1 3 213.325 0.276 10 0 BCAEHO CC[NH+](CC)[C@H](C)CNC(=O)C(C)(C)N ZINC000379945371 343658461 /nfs/dbraw/zinc/65/84/61/343658461.db2.gz CVTKPEXINVZFRN-SECBINFHSA-N 1 3 215.341 0.570 10 0 BCAEHO CCN(CCNC(=O)[C@H]1CC[C@H]([NH3+])C1)C1CC1 ZINC000261544482 349850089 /nfs/dbraw/zinc/85/00/89/349850089.db2.gz YQUGFYNPDLLFBD-QWRGUYRKSA-N 1 3 239.363 0.714 10 0 BCAEHO C[C@H]1CN(CC(C)(C)C[NH3+])CC[C@@H]1O ZINC000127219680 344042056 /nfs/dbraw/zinc/04/20/56/344042056.db2.gz YJOPRIAPXSQCIU-UWVGGRQHSA-N 1 3 200.326 0.674 10 0 BCAEHO O=C(N1CCCNCC1)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634735301 344123037 /nfs/dbraw/zinc/12/30/37/344123037.db2.gz BQHLCLDMHKLFDM-AAEUAGOBSA-N 1 3 237.347 0.198 10 0 BCAEHO CCN1CCC[C@H](NC(=O)CC[NH2+]C)C1 ZINC000043605766 344529427 /nfs/dbraw/zinc/52/94/27/344529427.db2.gz UVLQLZGYUQFSQC-JTQLQIEISA-N 1 3 213.325 0.196 10 0 BCAEHO CCN1CCC[C@H](NC(=O)[C@@H](C)C[NH3+])C1 ZINC000044805840 344548653 /nfs/dbraw/zinc/54/86/53/344548653.db2.gz XQSFFKOTJFIFNF-UWVGGRQHSA-N 1 3 213.325 0.182 10 0 BCAEHO C[C@@H](CN1CCS[C@@H](C)C1)C(N)=[NH2+] ZINC000220961598 344650538 /nfs/dbraw/zinc/65/05/38/344650538.db2.gz BBZBDTXVVZWIGZ-YUMQZZPRSA-N 1 3 201.339 0.996 10 0 BCAEHO CCN1CCC[C@@H](NC(=O)[C@H]2CC[NH2+]C2)C1 ZINC000245405578 345225788 /nfs/dbraw/zinc/22/57/88/345225788.db2.gz UETQVLXZCHWPDN-WDEREUQCSA-N 1 3 225.336 0.196 10 0 BCAEHO CCN1CCC[C@@H]1CNC(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000227883896 345281648 /nfs/dbraw/zinc/28/16/48/345281648.db2.gz NBXAIZHTYVEYSW-IJLUTSLNSA-N 1 3 239.363 0.714 10 0 BCAEHO CCN1CCC[C@@H]1CN(C)C(=O)[C@H](C)[C@@H](C)[NH3+] ZINC000248492924 345403795 /nfs/dbraw/zinc/40/37/95/345403795.db2.gz OYBDNQWGXVSUFJ-IJLUTSLNSA-N 1 3 241.379 0.912 10 0 BCAEHO C[C@H](CNC(=O)[C@@H]1C[NH2+]C[C@H]1C)N1CCCC1 ZINC000161078709 323145855 /nfs/dbraw/zinc/14/58/55/323145855.db2.gz VBDIRCBZEJENMN-IJLUTSLNSA-N 1 3 239.363 0.442 10 0 BCAEHO CN(C[C@@H]1C[C@]2(CC[NH2+]C2)CO1)C1CC1 ZINC000669382899 538005570 /nfs/dbraw/zinc/00/55/70/538005570.db2.gz NLBGKVRQSCACLP-RYUDHWBXSA-N 1 3 210.321 0.849 10 0 BCAEHO CC[NH+]1CCC(CNC(=O)[C@@H](C)NC)CC1 ZINC000054076739 348879877 /nfs/dbraw/zinc/87/98/77/348879877.db2.gz PQKUJPSBFDQROF-SNVBAGLBSA-N 1 3 227.352 0.442 10 0 BCAEHO CN[C@H](C)C(=O)NCCCC[NH+](C)C ZINC000054076834 348880341 /nfs/dbraw/zinc/88/03/41/348880341.db2.gz FNBHAOIQLDYQQH-SECBINFHSA-N 1 3 201.314 0.052 10 0 BCAEHO CCN1CCC[C@H](NC(=O)[C@@H]2CC[NH2+][C@H]2C)C1 ZINC000252601560 349206807 /nfs/dbraw/zinc/20/68/07/349206807.db2.gz MLNYZCKXIBMOAV-SDDRHHMPSA-N 1 3 239.363 0.585 10 0 BCAEHO NC1(C(=O)Nc2ccnn2C2C[NH2+]C2)CCCC1 ZINC000725258751 538077321 /nfs/dbraw/zinc/07/73/21/538077321.db2.gz ZCSZKGVBZACUGM-UHFFFAOYSA-N 1 3 249.318 0.237 10 0 BCAEHO Cc1nn(C)c(OCCC[NH+](C)C)c1C(=N)N ZINC000104316591 180359765 /nfs/dbraw/zinc/35/97/65/180359765.db2.gz FPJIWNXHFICNMP-UHFFFAOYSA-N 1 3 239.323 0.343 10 0 BCAEHO [NH3+]CCN1CCNC[C@H]1c1ccccc1CCO ZINC000616603856 350795583 /nfs/dbraw/zinc/79/55/83/350795583.db2.gz HHWBZJZXMUKKPX-AWEZNQCLSA-N 1 3 249.358 0.126 10 0 BCAEHO NCC[N@@H+]1CCC[C@@H](c2c[nH]cn2)CC1 ZINC000616627304 351107912 /nfs/dbraw/zinc/10/79/12/351107912.db2.gz HPRJJOITMPMYSS-SNVBAGLBSA-N 1 3 208.309 0.938 10 0 BCAEHO NCC[N@H+]1CCC[C@@H](c2c[nH]cn2)CC1 ZINC000616627304 351107916 /nfs/dbraw/zinc/10/79/16/351107916.db2.gz HPRJJOITMPMYSS-SNVBAGLBSA-N 1 3 208.309 0.938 10 0 BCAEHO [NH3+]CCN1CCN[C@H](c2cccc(CCO)c2)C1 ZINC000616633533 351115498 /nfs/dbraw/zinc/11/54/98/351115498.db2.gz BVMZRNPBYUWWSR-AWEZNQCLSA-N 1 3 249.358 0.126 10 0 BCAEHO Nc1ccc([C@@H]2CN(CC[NH3+])CCN2)cc1 ZINC000616634786 351117696 /nfs/dbraw/zinc/11/76/96/351117696.db2.gz YJGOFZNOMURFFS-LBPRGKRZSA-N 1 3 220.320 0.174 10 0 BCAEHO [NH3+]CCN1CCNC[C@@H]1c1cccc(CO)c1 ZINC000616636000 351121340 /nfs/dbraw/zinc/12/13/40/351121340.db2.gz IKBUPSWNYDUVQD-CYBMUJFWSA-N 1 3 235.331 0.084 10 0 BCAEHO Nc1cccc([C@H]2CN(CC[NH3+])CCN2)c1 ZINC000616653752 351194674 /nfs/dbraw/zinc/19/46/74/351194674.db2.gz HXUNOJXXNXUAGL-GFCCVEGCSA-N 1 3 220.320 0.174 10 0 BCAEHO CNc1ccccc1[C@@H]1CNCCN1CC[NH3+] ZINC000616636939 351130740 /nfs/dbraw/zinc/13/07/40/351130740.db2.gz YQAOHZNDRIPLPH-ZDUSSCGKSA-N 1 3 234.347 0.633 10 0 BCAEHO CN([C@@H]1CCC[NH2+]CC1)C(C)(C)CO ZINC000228852528 351438818 /nfs/dbraw/zinc/43/88/18/351438818.db2.gz TXNFQKCFCSLTQN-SNVBAGLBSA-N 1 3 200.326 0.831 10 0 BCAEHO C[N@H+]([C@@H]1CCCNCC1)C(C)(C)CO ZINC000228852528 351438822 /nfs/dbraw/zinc/43/88/22/351438822.db2.gz TXNFQKCFCSLTQN-SNVBAGLBSA-N 1 3 200.326 0.831 10 0 BCAEHO C[N@@H+]([C@@H]1CCCNCC1)C(C)(C)CO ZINC000228852528 351438824 /nfs/dbraw/zinc/43/88/24/351438824.db2.gz TXNFQKCFCSLTQN-SNVBAGLBSA-N 1 3 200.326 0.831 10 0 BCAEHO CN(C)[C@H]1CCN(C(=O)C2=CC[C@H]([NH3+])C2)C1 ZINC000638276153 352113078 /nfs/dbraw/zinc/11/30/78/352113078.db2.gz QVFFATHFFMFTSP-QWRGUYRKSA-N 1 3 223.320 0.196 10 0 BCAEHO C[C@H](O)[C@H](C)N1CCC[C@H](C)[C@H]1C[NH3+] ZINC000252115587 363123670 /nfs/dbraw/zinc/12/36/70/363123670.db2.gz IMFDRVVYKIDLQV-XWLWVQCSSA-N 1 3 200.326 0.815 10 0 BCAEHO CN1CCC[C@H]1CNC(=O)C[C@H]1CCC[NH2+]C1 ZINC000300690279 352570477 /nfs/dbraw/zinc/57/04/77/352570477.db2.gz KYBVWTNPPOJMBL-NEPJUHHUSA-N 1 3 239.363 0.587 10 0 BCAEHO CN1CCC[C@@H]1CNC(=O)C[C@H]1CCC[NH2+]C1 ZINC000300690280 352570487 /nfs/dbraw/zinc/57/04/87/352570487.db2.gz KYBVWTNPPOJMBL-VXGBXAGGSA-N 1 3 239.363 0.587 10 0 BCAEHO CN1CCC(OC(=O)[C@H]2CCC[NH2+]C2)CC1 ZINC000041018789 188118169 /nfs/dbraw/zinc/11/81/69/188118169.db2.gz NXCAYVBSFJPAQX-JTQLQIEISA-N 1 3 226.320 0.623 10 0 BCAEHO CN1CC[C@H](NC(=O)Nc2ccc(C[NH3+])cc2)C1 ZINC000042549628 188120740 /nfs/dbraw/zinc/12/07/40/188120740.db2.gz IJBRVLXVUBYFAE-LBPRGKRZSA-N 1 3 248.330 0.971 10 0 BCAEHO CC(C)[C@@H](N)C(=O)N[C@@H]1CCC[C@H]1C[NH3+] ZINC000261594936 535205552 /nfs/dbraw/zinc/20/55/52/535205552.db2.gz XVFDTONOFSCQTO-IVZWLZJFSA-N 1 3 213.325 0.213 10 0 BCAEHO C[NH2+][C@@H]1CCN(C[C@H]2CCCCN2C)C1=O ZINC000044562946 188123930 /nfs/dbraw/zinc/12/39/30/188123930.db2.gz WHRWGZLHLFBRDH-GHMZBOCLSA-N 1 3 225.336 0.291 10 0 BCAEHO CC(C)[C@H](CN(C)C)NC(=O)[C@H]1CCCC[NH2+]1 ZINC000049220539 188124942 /nfs/dbraw/zinc/12/49/42/188124942.db2.gz DVPSMNAOZPIMFM-NEPJUHHUSA-N 1 3 241.379 0.831 10 0 BCAEHO CC(C)N1CCN(C[C@H]2CC[C@H](C[NH3+])O2)CC1 ZINC000052480073 188126382 /nfs/dbraw/zinc/12/63/82/188126382.db2.gz AMGQDYGOPMHGBV-CHWSQXEVSA-N 1 3 241.379 0.519 10 0 BCAEHO C(CN1CCCCC1)NC1CC[NH2+]CC1 ZINC000049575021 188153515 /nfs/dbraw/zinc/15/35/15/188153515.db2.gz LQPMXAGQPXTBJW-UHFFFAOYSA-N 1 3 211.353 0.814 10 0 BCAEHO CCN1CCC(NC(=O)[C@@H]2CC[NH2+]C2)CC1 ZINC000062115491 353551705 /nfs/dbraw/zinc/55/17/05/353551705.db2.gz JZBNVMCBQNKZPN-SNVBAGLBSA-N 1 3 225.336 0.196 10 0 BCAEHO CCC[C@H](N)C(=O)NCC[N@H+](C)[C@H](C)CC ZINC000220122861 353822279 /nfs/dbraw/zinc/82/22/79/353822279.db2.gz BBNLTPVRYGFARK-MNOVXSKESA-N 1 3 229.368 0.960 10 0 BCAEHO CCC[C@H](N)C(=O)NCC[N@@H+](C)[C@H](C)CC ZINC000220122861 353822280 /nfs/dbraw/zinc/82/22/80/353822280.db2.gz BBNLTPVRYGFARK-MNOVXSKESA-N 1 3 229.368 0.960 10 0 BCAEHO C[C@H]1SCC[N@H+](C[C@@H](O)CN)[C@H]1C ZINC000301048511 363381564 /nfs/dbraw/zinc/38/15/64/363381564.db2.gz QPAZHGXTIRVRKB-YIZRAAEISA-N 1 3 204.339 0.132 10 0 BCAEHO C[C@H]1SCC[N@@H+](C[C@@H](O)CN)[C@H]1C ZINC000301048511 363381568 /nfs/dbraw/zinc/38/15/68/363381568.db2.gz QPAZHGXTIRVRKB-YIZRAAEISA-N 1 3 204.339 0.132 10 0 BCAEHO [NH3+][C@H]1CCC[C@@H](NCCn2cncn2)C1 ZINC000381739949 355387031 /nfs/dbraw/zinc/38/70/31/355387031.db2.gz YZEUMPHCOXMIKL-VHSXEESVSA-N 1 3 209.297 0.138 10 0 BCAEHO Cc1nccn1CCC[N@H+]1C[C@@H](C)[C@@H](N)C1 ZINC000420378377 192233805 /nfs/dbraw/zinc/23/38/05/192233805.db2.gz QKOZWEIRPUFKBU-PWSUYJOCSA-N 1 3 222.336 0.861 10 0 BCAEHO Cc1nccn1CCC[N@@H+]1C[C@@H](C)[C@@H](N)C1 ZINC000420378377 192233807 /nfs/dbraw/zinc/23/38/07/192233807.db2.gz QKOZWEIRPUFKBU-PWSUYJOCSA-N 1 3 222.336 0.861 10 0 BCAEHO CC(C)(C)OC(=O)C1CCCN(CC[NH3+])C1=O ZINC000675055992 538476863 /nfs/dbraw/zinc/47/68/63/538476863.db2.gz HFAMZRKMJIQRJQ-SECBINFHSA-N 1 3 242.319 0.525 10 0 BCAEHO CN1CCN(C2CC3(C2)CC[NH2+]CC3)CC1 ZINC000675070224 538501091 /nfs/dbraw/zinc/50/10/91/538501091.db2.gz SDWSHLURDXRFJE-UHFFFAOYSA-N 1 3 223.364 0.766 10 0 BCAEHO CCC[NH2+]C[C@]12C[C@@]1(C(=O)OC)CNC2 ZINC000675072868 538504349 /nfs/dbraw/zinc/50/43/49/538504349.db2.gz CVTKBKDIDBMSEJ-QWRGUYRKSA-N 1 3 212.293 0.139 10 0 BCAEHO CCCNC[C@]12C[C@@]1(C(=O)OC)C[NH2+]C2 ZINC000675072868 538504352 /nfs/dbraw/zinc/50/43/52/538504352.db2.gz CVTKBKDIDBMSEJ-QWRGUYRKSA-N 1 3 212.293 0.139 10 0 BCAEHO COC(=O)[C@@]12C[C@]1(CNC1CCC1)C[NH2+]C2 ZINC000675073442 538505957 /nfs/dbraw/zinc/50/59/57/538505957.db2.gz IYOZBQOFSBGIGN-NEPJUHHUSA-N 1 3 224.304 0.281 10 0 BCAEHO COC(=O)[C@@]12C[C@]1(C[NH2+]C1CCC1)CNC2 ZINC000675073442 538505959 /nfs/dbraw/zinc/50/59/59/538505959.db2.gz IYOZBQOFSBGIGN-NEPJUHHUSA-N 1 3 224.304 0.281 10 0 BCAEHO COCCN[C@@H]1C[C@H]([NH3+])C12CCOCC2 ZINC000675079015 538517274 /nfs/dbraw/zinc/51/72/74/538517274.db2.gz DKQPSBALOHVOCA-VHSXEESVSA-N 1 3 214.309 0.119 10 0 BCAEHO COCC[NH2+][C@@H]1C[C@H](N)C12CCOCC2 ZINC000675079015 538517277 /nfs/dbraw/zinc/51/72/77/538517277.db2.gz DKQPSBALOHVOCA-VHSXEESVSA-N 1 3 214.309 0.119 10 0 BCAEHO COCCCN[C@@H]1C[C@H]([NH3+])C12CCOCC2 ZINC000675079874 538518492 /nfs/dbraw/zinc/51/84/92/538518492.db2.gz JKTPWBLBYSRMGJ-WDEREUQCSA-N 1 3 228.336 0.509 10 0 BCAEHO CCC[C@H](N)C(=O)NC1(C)CC[NH2+]CC1 ZINC000193362742 357006947 /nfs/dbraw/zinc/00/69/47/357006947.db2.gz UOOUAQYLECMHOR-VIFPVBQESA-N 1 3 213.325 0.372 10 0 BCAEHO O=C(CC[NH2+]C1CC1)N1CCN2CCC[C@H]2C1 ZINC000037812678 357204021 /nfs/dbraw/zinc/20/40/21/357204021.db2.gz XOXNAPUSNMAYOB-LBPRGKRZSA-N 1 3 237.347 0.435 10 0 BCAEHO C[NH+](C)[C@@H]1CCCN([C@H]2CCNC[C@@H]2F)C1 ZINC000685948285 538890093 /nfs/dbraw/zinc/89/00/93/538890093.db2.gz GBGNKEKJYFQPIZ-WOPDTQHZSA-N 1 3 229.343 0.712 10 0 BCAEHO CC[C@H](N)C(=O)N(C)C[C@@H]1CCC[N@@H+]1CC ZINC000086188875 357872094 /nfs/dbraw/zinc/87/20/94/357872094.db2.gz NULDYXIVCWEVIW-QWRGUYRKSA-N 1 3 227.352 0.666 10 0 BCAEHO CC[C@H](N)C(=O)N(C)C[C@@H]1CCC[N@H+]1CC ZINC000086188875 357872100 /nfs/dbraw/zinc/87/21/00/357872100.db2.gz NULDYXIVCWEVIW-QWRGUYRKSA-N 1 3 227.352 0.666 10 0 BCAEHO C[NH2+][C@H](C)C(=O)NC[C@H](C)N(C)C1CC1 ZINC000219941700 358011173 /nfs/dbraw/zinc/01/11/73/358011173.db2.gz LMKMHXWCPXBZFL-DTWKUNHWSA-N 1 3 213.325 0.193 10 0 BCAEHO COC(=O)CC[N@H+](C)C1CCNCC1 ZINC000036301536 358019192 /nfs/dbraw/zinc/01/91/92/358019192.db2.gz XUGVBQYWPISEFN-UHFFFAOYSA-N 1 3 200.282 0.233 10 0 BCAEHO COC(=O)CC[N@@H+](C)C1CCNCC1 ZINC000036301536 358019195 /nfs/dbraw/zinc/01/91/95/358019195.db2.gz XUGVBQYWPISEFN-UHFFFAOYSA-N 1 3 200.282 0.233 10 0 BCAEHO C[C@H]([NH2+][C@@H]1CCC[C@H]1O)[C@H]1CCCNC1 ZINC000584833945 358197405 /nfs/dbraw/zinc/19/74/05/358197405.db2.gz XLRJVAYJBBIUKF-NNYUYHANSA-N 1 3 212.337 0.878 10 0 BCAEHO C[C@H](N[C@@H]1CCC[C@H]1O)[C@H]1CCC[NH2+]C1 ZINC000584833945 358197408 /nfs/dbraw/zinc/19/74/08/358197408.db2.gz XLRJVAYJBBIUKF-NNYUYHANSA-N 1 3 212.337 0.878 10 0 BCAEHO CN1CCC[C@H]1CNC(=O)[C@@]1(C)CCC[NH2+]1 ZINC000227432779 358357559 /nfs/dbraw/zinc/35/75/59/358357559.db2.gz UFPKXUKDCPAQTK-CMPLNLGQSA-N 1 3 225.336 0.339 10 0 BCAEHO CCC[C@H](N)C(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000044538924 358390073 /nfs/dbraw/zinc/39/00/73/358390073.db2.gz BEPOJIBMASMKHK-MNOVXSKESA-N 1 3 227.352 0.572 10 0 BCAEHO CCC[C@H](N)C(=O)NC[C@H]1CCC[N@@H+](C)C1 ZINC000044538924 358390076 /nfs/dbraw/zinc/39/00/76/358390076.db2.gz BEPOJIBMASMKHK-MNOVXSKESA-N 1 3 227.352 0.572 10 0 BCAEHO C[C@H]([NH3+])[C@H](C)C(=O)N1CC[C@@H](N(C)C)C1 ZINC000230216523 358395671 /nfs/dbraw/zinc/39/56/71/358395671.db2.gz ZJPDSVBDMJYIJN-LPEHRKFASA-N 1 3 213.325 0.132 10 0 BCAEHO CCN1CCC[C@H](NC(=O)[C@@]2(C)CC[NH2+]C2)C1 ZINC000219842521 134292242 /nfs/dbraw/zinc/29/22/42/134292242.db2.gz CVTXZLYHMCHHKH-AAEUAGOBSA-N 1 3 239.363 0.587 10 0 BCAEHO C[C@@H](CNC(=O)[C@@H]1C[NH2+]C[C@H]1C)N(C)C1CC1 ZINC000219973453 134295843 /nfs/dbraw/zinc/29/58/43/134295843.db2.gz AFAMWWNVPPTESJ-JFGNBEQYSA-N 1 3 239.363 0.441 10 0 BCAEHO C[C@@H]1CN(CCC(C)(C)[NH3+])CC[C@H]1O ZINC000306187755 359003435 /nfs/dbraw/zinc/00/34/35/359003435.db2.gz FFOQMGUMAJBGSQ-NXEZZACHSA-N 1 3 200.326 0.817 10 0 BCAEHO C[NH2+]C(C)(C)[C@H](O)[C@@H]1C[C@H](C)CCN1 ZINC000306202729 359292210 /nfs/dbraw/zinc/29/22/10/359292210.db2.gz LOSWHBAREQXVIX-KXUCPTDWSA-N 1 3 200.326 0.733 10 0 BCAEHO CNC(C)(C)[C@H](O)[C@@H]1C[C@H](C)CC[NH2+]1 ZINC000306202729 359292212 /nfs/dbraw/zinc/29/22/12/359292212.db2.gz LOSWHBAREQXVIX-KXUCPTDWSA-N 1 3 200.326 0.733 10 0 BCAEHO CC(C)(C[NH3+])CN1CCC[C@H](O)CC1 ZINC000306248582 359444645 /nfs/dbraw/zinc/44/46/45/359444645.db2.gz XHRDCYLRFKFUEB-JTQLQIEISA-N 1 3 200.326 0.818 10 0 BCAEHO CCC[NH+]1CCC(N[C@@H]2C[C@H]2CO)CC1 ZINC000308930187 491140445 /nfs/dbraw/zinc/14/04/45/491140445.db2.gz JIHXTLVCRNRWBC-CMPLNLGQSA-N 1 3 212.337 0.831 10 0 BCAEHO NC(=[NH2+])N[C@@H]1[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000306614769 361143012 /nfs/dbraw/zinc/14/30/12/361143012.db2.gz OUSYUXJXXKDMNP-GDNZZTSVSA-N 1 3 230.315 0.600 10 0 BCAEHO C1CC1[C@H]1C[C@H]([NH2+]C2CCNCC2)CO1 ZINC000629550009 361442356 /nfs/dbraw/zinc/44/23/56/361442356.db2.gz VZNOJZBRWHWMFQ-NWDGAFQWSA-N 1 3 210.321 0.896 10 0 BCAEHO C1CC1[C@H]1C[C@@H]([NH2+]C2CCNCC2)CO1 ZINC000629550011 361443047 /nfs/dbraw/zinc/44/30/47/361443047.db2.gz VZNOJZBRWHWMFQ-VXGBXAGGSA-N 1 3 210.321 0.896 10 0 BCAEHO CN(C)[C@H]1CCCN(CC2=[NH+]CCCN2)C1 ZINC000669384996 541438574 /nfs/dbraw/zinc/43/85/74/541438574.db2.gz RSZVBMNPJOCFGQ-NSHDSACASA-N 1 3 224.352 0.404 10 0 BCAEHO [NH3+]CCN1CCCN(CCc2cccnc2)CC1 ZINC000063221793 181391883 /nfs/dbraw/zinc/39/18/83/181391883.db2.gz JCBOPVKIGXSTPC-UHFFFAOYSA-N 1 3 248.374 0.591 10 0 BCAEHO NCCC[NH2+]C1CCC2(CC1)OCCO2 ZINC000037713368 181382246 /nfs/dbraw/zinc/38/22/46/181382246.db2.gz SKEVXSFMLCCHFF-UHFFFAOYSA-N 1 3 214.309 0.611 10 0 BCAEHO NC[C@@H]1CCC[C@H]1[NH+]1CCC(CO)CC1 ZINC000037159078 181432361 /nfs/dbraw/zinc/43/23/61/181432361.db2.gz ZPPRQNMNMNWRRX-NWDGAFQWSA-N 1 3 212.337 0.818 10 0 BCAEHO [NH3+]C[C@@H]1CCC[C@H]1N1CCC(CO)CC1 ZINC000037159078 181432362 /nfs/dbraw/zinc/43/23/62/181432362.db2.gz ZPPRQNMNMNWRRX-NWDGAFQWSA-N 1 3 212.337 0.818 10 0 BCAEHO CCCN(CCN(C)C)C(=O)[C@@H]1C[NH2+]C[C@H]1C ZINC000111272159 368853090 /nfs/dbraw/zinc/85/30/90/368853090.db2.gz NMCWCYLYDJKOQE-VXGBXAGGSA-N 1 3 241.379 0.642 10 0 BCAEHO C[C@H]1CN(CCOC2CCOCC2)C[C@H]1C[NH3+] ZINC000631837532 369097921 /nfs/dbraw/zinc/09/79/21/369097921.db2.gz TUPHMPOYOWPGRN-NWDGAFQWSA-N 1 3 242.363 0.709 10 0 BCAEHO COC[C@H](CN1C[C@H](C)[C@H](C[NH3+])C1)OC ZINC000631837417 369098339 /nfs/dbraw/zinc/09/83/39/369098339.db2.gz SBEHLQKRGJHXPM-AXFHLTTASA-N 1 3 216.325 0.174 10 0 BCAEHO COC[C@H](C[N@@H+]1C[C@H](C)[C@H](CN)C1)OC ZINC000631837417 369098344 /nfs/dbraw/zinc/09/83/44/369098344.db2.gz SBEHLQKRGJHXPM-AXFHLTTASA-N 1 3 216.325 0.174 10 0 BCAEHO COC[C@H](C[N@H+]1C[C@H](C)[C@H](CN)C1)OC ZINC000631837417 369098349 /nfs/dbraw/zinc/09/83/49/369098349.db2.gz SBEHLQKRGJHXPM-AXFHLTTASA-N 1 3 216.325 0.174 10 0 BCAEHO COC[C@H](CN1C[C@H](C)[C@@H](C[NH3+])C1)OC ZINC000631837419 369098562 /nfs/dbraw/zinc/09/85/62/369098562.db2.gz SBEHLQKRGJHXPM-DCAQKATOSA-N 1 3 216.325 0.174 10 0 BCAEHO COC[C@H](C[N@@H+]1C[C@H](C)[C@@H](CN)C1)OC ZINC000631837419 369098565 /nfs/dbraw/zinc/09/85/65/369098565.db2.gz SBEHLQKRGJHXPM-DCAQKATOSA-N 1 3 216.325 0.174 10 0 BCAEHO COC[C@H](C[N@H+]1C[C@H](C)[C@@H](CN)C1)OC ZINC000631837419 369098568 /nfs/dbraw/zinc/09/85/68/369098568.db2.gz SBEHLQKRGJHXPM-DCAQKATOSA-N 1 3 216.325 0.174 10 0 BCAEHO C[C@@H]1CN(CCOC[C@@H]2CCCO2)C[C@@H]1C[NH3+] ZINC000631840874 369311992 /nfs/dbraw/zinc/31/19/92/369311992.db2.gz VSCOAATYTSFOGK-AGIUHOORSA-N 1 3 242.363 0.709 10 0 BCAEHO C[NH2+][C@H](C)C(=O)N1CCCC[C@H]1CN(C)C ZINC000404961890 369440874 /nfs/dbraw/zinc/44/08/74/369440874.db2.gz KDWXQXFRBIQHOF-MNOVXSKESA-N 1 3 227.352 0.537 10 0 BCAEHO CC(C)[NH+]1CCC(N[C@H]2CCOC[C@@H]2O)CC1 ZINC000624235154 371422408 /nfs/dbraw/zinc/42/24/08/371422408.db2.gz FOTXPWFOYJQWMZ-STQMWFEESA-N 1 3 242.363 0.599 10 0 BCAEHO C[C@H]1SCC[N@H+](C[C@H](O)CN)[C@H]1C ZINC000132332788 371794262 /nfs/dbraw/zinc/79/42/62/371794262.db2.gz QPAZHGXTIRVRKB-DJLDLDEBSA-N 1 3 204.339 0.132 10 0 BCAEHO C[C@H]1SCC[N@@H+](C[C@H](O)CN)[C@H]1C ZINC000132332788 371794270 /nfs/dbraw/zinc/79/42/70/371794270.db2.gz QPAZHGXTIRVRKB-DJLDLDEBSA-N 1 3 204.339 0.132 10 0 BCAEHO O=C(NCCN1CCCC1)[C@H]1CCCC[NH2+]1 ZINC000035663386 182185226 /nfs/dbraw/zinc/18/52/26/182185226.db2.gz SDOCJSDFYWWYDL-LLVKDONJSA-N 1 3 225.336 0.341 10 0 BCAEHO O=C(NCCN1CCCCCC1)[C@H]1CC[NH2+]C1 ZINC000062115877 182185451 /nfs/dbraw/zinc/18/54/51/182185451.db2.gz BOQDPRWGBYWRDW-LBPRGKRZSA-N 1 3 239.363 0.588 10 0 BCAEHO OC[C@@H]1CCCN(C[C@@H]2CCC[NH2+]C2)C1 ZINC000226841614 183118096 /nfs/dbraw/zinc/11/80/96/183118096.db2.gz WIORRWOMXVUXHP-VXGBXAGGSA-N 1 3 212.337 0.690 10 0 BCAEHO OC[C@@H]1CCC[N@H+](C[C@@H]2CCCNC2)C1 ZINC000226841614 183118099 /nfs/dbraw/zinc/11/80/99/183118099.db2.gz WIORRWOMXVUXHP-VXGBXAGGSA-N 1 3 212.337 0.690 10 0 BCAEHO OC[C@@H]1CCC[N@@H+](C[C@@H]2CCCNC2)C1 ZINC000226841614 183118100 /nfs/dbraw/zinc/11/81/00/183118100.db2.gz WIORRWOMXVUXHP-VXGBXAGGSA-N 1 3 212.337 0.690 10 0 BCAEHO CCCN1CCN(C[C@H]2CCC[NH2+]2)CC1 ZINC000019933580 169202384 /nfs/dbraw/zinc/20/23/84/169202384.db2.gz HAFKMMMKSOUTEG-GFCCVEGCSA-N 1 3 211.353 0.766 10 0 BCAEHO CCC[NH2+]C[C@H](O)CN(C)CCN1CCCC1 ZINC000063051406 169263628 /nfs/dbraw/zinc/26/36/28/169263628.db2.gz ASHJNXIZRMUAEI-ZDUSSCGKSA-N 1 3 243.395 0.375 10 0 BCAEHO CCC[C@@H](N)C(=O)N1CC[C@@H](C[N@H+](C)CC)C1 ZINC000236910637 169388402 /nfs/dbraw/zinc/38/84/02/169388402.db2.gz SDNZCQQHRMPHDH-NWDGAFQWSA-N 1 3 241.379 0.914 10 0 BCAEHO CCC[C@@H](N)C(=O)N1CC[C@@H](C[N@@H+](C)CC)C1 ZINC000236910637 169388403 /nfs/dbraw/zinc/38/84/03/169388403.db2.gz SDNZCQQHRMPHDH-NWDGAFQWSA-N 1 3 241.379 0.914 10 0 BCAEHO CCC[C@@H](N)C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000062972410 169388526 /nfs/dbraw/zinc/38/85/26/169388526.db2.gz HPPLERWBOCCRKG-VHSXEESVSA-N 1 3 213.325 0.276 10 0 BCAEHO CCC[C@@H](N)C(=O)NC[C@@H]1CC[N@H+](C)C1 ZINC000037484917 169388754 /nfs/dbraw/zinc/38/87/54/169388754.db2.gz HGNHTVFUUXBXAE-VHSXEESVSA-N 1 3 213.325 0.182 10 0 BCAEHO CCC[C@@H](N)C(=O)NC[C@@H]1CC[N@@H+](C)C1 ZINC000037484917 169388755 /nfs/dbraw/zinc/38/87/55/169388755.db2.gz HGNHTVFUUXBXAE-VHSXEESVSA-N 1 3 213.325 0.182 10 0 BCAEHO CCC[C@H](N)C(=O)N1CCC([C@H](C)[NH3+])CC1 ZINC000178407557 384170467 /nfs/dbraw/zinc/17/04/67/384170467.db2.gz RXGQNAIGIXXXDW-ONGXEEELSA-N 1 3 227.352 0.700 10 0 BCAEHO Cc1cn[nH]c1CN1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000647512639 384411613 /nfs/dbraw/zinc/41/16/13/384411613.db2.gz NYHGOZNMGGKHKD-DCAQKATOSA-N 1 3 220.320 0.887 10 0 BCAEHO C[C@H]1CN2CCCC[C@@H]2CN1CCC[NH3+] ZINC000086930188 384720232 /nfs/dbraw/zinc/72/02/32/384720232.db2.gz AOFOYTMAOFSNAJ-NWDGAFQWSA-N 1 3 211.353 0.894 10 0 BCAEHO c1cn(CCNC[C@@H]2CCC[NH2+]C2)cn1 ZINC000087646819 384982991 /nfs/dbraw/zinc/98/29/91/384982991.db2.gz ZHQULPPKEYJWAO-LLVKDONJSA-N 1 3 208.309 0.472 10 0 BCAEHO C[C@H]1[C@H]([NH3+])CCN1C(=O)C1CCN(C)CC1 ZINC000647044443 385180069 /nfs/dbraw/zinc/18/00/69/385180069.db2.gz CFQAIRPNMBBSCU-GXSJLCMTSA-N 1 3 225.336 0.276 10 0 BCAEHO C[C@H](NC[C@H](O)C[N@H+](C)C1CC1)[C@@H]1CCCO1 ZINC000336677014 385606004 /nfs/dbraw/zinc/60/60/04/385606004.db2.gz CIVDZQZSSWLOHO-DRZSPHRISA-N 1 3 242.363 0.599 10 0 BCAEHO C[C@H](NC[C@H](O)C[N@@H+](C)C1CC1)[C@@H]1CCCO1 ZINC000336677014 385606009 /nfs/dbraw/zinc/60/60/09/385606009.db2.gz CIVDZQZSSWLOHO-DRZSPHRISA-N 1 3 242.363 0.599 10 0 BCAEHO CN1CCC(NC(=O)C[C@H]2CCC[NH2+]C2)CC1 ZINC000054290793 385609804 /nfs/dbraw/zinc/60/98/04/385609804.db2.gz LIEPLDRACFVSJF-LLVKDONJSA-N 1 3 239.363 0.587 10 0 BCAEHO C[NH+](C)[C@@H]1CCN(C(=O)C(N)C(F)(F)F)C1 ZINC000335053492 385951887 /nfs/dbraw/zinc/95/18/87/385951887.db2.gz XKLAVGRCGOPSJW-RNFRBKRXSA-N 1 3 239.241 0.039 10 0 BCAEHO Cn1nccc1CCN1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000310403586 386178874 /nfs/dbraw/zinc/17/88/74/386178874.db2.gz LELRWTNDILWMMS-WCFLWFBJSA-N 1 3 234.347 0.632 10 0 BCAEHO COC(=O)CCN1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000130927312 386188491 /nfs/dbraw/zinc/18/84/91/386188491.db2.gz OQFVVOWRINPWNE-AXFHLTTASA-N 1 3 226.320 0.609 10 0 BCAEHO CN(CCNC(=O)[C@H]1CCC[NH2+]C1)C1CC1 ZINC000059931408 386464023 /nfs/dbraw/zinc/46/40/23/386464023.db2.gz RYQYUAPOYWYKQE-JTQLQIEISA-N 1 3 225.336 0.196 10 0 BCAEHO CN(C)[C@@H]1CCN(C(=O)[C@]2(C)CCC[NH2+]C2)C1 ZINC000062972068 386536259 /nfs/dbraw/zinc/53/62/59/386536259.db2.gz SOHGJRGLIIHJQL-DGCLKSJQSA-N 1 3 239.363 0.539 10 0 BCAEHO CN(C(=O)[C@H]1CC[C@@H]([NH3+])C1)C1CCN(C)CC1 ZINC000097092441 386628230 /nfs/dbraw/zinc/62/82/30/386628230.db2.gz JOYSSBWWBAVINJ-WDEREUQCSA-N 1 3 239.363 0.666 10 0 BCAEHO CN(C)[C@H]1CCN(C(=O)C(C)(C)C[NH3+])C1 ZINC000062967588 386664538 /nfs/dbraw/zinc/66/45/38/386664538.db2.gz XAYOGWHNHOTUDE-VIFPVBQESA-N 1 3 213.325 0.134 10 0 BCAEHO CN(C)[C@@H]1CCN(C(=O)C(C)(C)C[NH3+])C1 ZINC000062967589 386664680 /nfs/dbraw/zinc/66/46/80/386664680.db2.gz XAYOGWHNHOTUDE-SECBINFHSA-N 1 3 213.325 0.134 10 0 BCAEHO CCC[C@H](N)C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000062972409 386666511 /nfs/dbraw/zinc/66/65/11/386666511.db2.gz HPPLERWBOCCRKG-UWVGGRQHSA-N 1 3 213.325 0.276 10 0 BCAEHO CC[C@]1(C(=O)N2CC[C@@H](N(C)C)C2)CCC[NH2+]1 ZINC000122113710 386738959 /nfs/dbraw/zinc/73/89/59/386738959.db2.gz YMMKFGHUMQPZFH-DGCLKSJQSA-N 1 3 239.363 0.681 10 0 BCAEHO C[C@H]1NC(=N)NC(=[NH2+])N1c1ccccc1 ZINC000013476266 387426341 /nfs/dbraw/zinc/42/63/41/387426341.db2.gz RPLDHTWHTNJWOS-ZETCQYMHSA-N 1 3 203.249 0.482 10 0 BCAEHO C[C@@H]1NC(=O)CC[C@@H]1[NH2+]CC[C@@H]1CCCN1C ZINC000440964808 387719360 /nfs/dbraw/zinc/71/93/60/387719360.db2.gz RRBVOLWVDRIZDJ-SRVKXCTJSA-N 1 3 239.363 0.727 10 0 BCAEHO C[C@@H]1NC(=O)CC[C@@H]1NCC[C@@H]1CCC[N@@H+]1C ZINC000440964808 387719365 /nfs/dbraw/zinc/71/93/65/387719365.db2.gz RRBVOLWVDRIZDJ-SRVKXCTJSA-N 1 3 239.363 0.727 10 0 BCAEHO C[C@@H]1NC(=O)CC[C@@H]1NCC[C@@H]1CCC[N@H+]1C ZINC000440964808 387719370 /nfs/dbraw/zinc/71/93/70/387719370.db2.gz RRBVOLWVDRIZDJ-SRVKXCTJSA-N 1 3 239.363 0.727 10 0 BCAEHO C1=CCN(CCN[C@H]2CCC[NH2+]CC2)CC1 ZINC000392243163 387945854 /nfs/dbraw/zinc/94/58/54/387945854.db2.gz MTPXHTOYSKYXPS-ZDUSSCGKSA-N 1 3 223.364 0.980 10 0 BCAEHO CC[NH+](CC)C[C@H](C)NC(=O)[C@H]1C[C@H](F)CN1 ZINC000446277748 388009117 /nfs/dbraw/zinc/00/91/17/388009117.db2.gz UOMAZYBEFWXVAZ-GARJFASQSA-N 1 3 245.342 0.533 10 0 BCAEHO NC[C@@H]1CCCC[C@@H]1[NH2+]CCn1cncn1 ZINC000362975981 388562785 /nfs/dbraw/zinc/56/27/85/388562785.db2.gz IGJKCYPZKLHJLN-QWRGUYRKSA-N 1 3 223.324 0.385 10 0 BCAEHO [NH3+]C[C@@H]1CCCC[C@@H]1NCCn1cncn1 ZINC000362975981 388562786 /nfs/dbraw/zinc/56/27/86/388562786.db2.gz IGJKCYPZKLHJLN-QWRGUYRKSA-N 1 3 223.324 0.385 10 0 BCAEHO NC[C@H]1CCCC[C@@H]1[NH2+]CCn1cncn1 ZINC000362975980 388563093 /nfs/dbraw/zinc/56/30/93/388563093.db2.gz IGJKCYPZKLHJLN-MNOVXSKESA-N 1 3 223.324 0.385 10 0 BCAEHO [NH3+]C[C@H]1CCCC[C@@H]1NCCn1cncn1 ZINC000362975980 388563095 /nfs/dbraw/zinc/56/30/95/388563095.db2.gz IGJKCYPZKLHJLN-MNOVXSKESA-N 1 3 223.324 0.385 10 0 BCAEHO C[C@H]1CN(C(=O)C2CCN(C)CC2)C[C@H]1[NH3+] ZINC000565363000 388938549 /nfs/dbraw/zinc/93/85/49/388938549.db2.gz XUPQIKHIUYINIB-GXSJLCMTSA-N 1 3 225.336 0.134 10 0 BCAEHO C[C@@H](NCCN1CC=CCC1)[C@H]1CC[NH2+]C1 ZINC000400464281 533393308 /nfs/dbraw/zinc/39/33/08/533393308.db2.gz SLRYDIYLQXXCGW-OLZOCXBDSA-N 1 3 223.364 0.836 10 0 BCAEHO C[C@@H](NCCN1CCSCC1)[C@H]1CC[NH2+]C1 ZINC000400344084 533397061 /nfs/dbraw/zinc/39/70/61/533397061.db2.gz IHTBPYCJCAHZNR-NEPJUHHUSA-N 1 3 243.420 0.623 10 0 BCAEHO C[C@@H]1C[C@H](NC(=O)[C@H]2CCC[C@H]2[NH3+])CCN1C ZINC000252175893 135085442 /nfs/dbraw/zinc/08/54/42/135085442.db2.gz RZJIMMLDNPRCAC-WISYIIOYSA-N 1 3 239.363 0.713 10 0 BCAEHO C[C@@H](CN1CCCCC1)N[C@H]1CC[NH2+]C1 ZINC000086727934 135095261 /nfs/dbraw/zinc/09/52/61/135095261.db2.gz OCJJTCKAHCOGET-RYUDHWBXSA-N 1 3 211.353 0.812 10 0 BCAEHO C[C@@H]1CCC[C@H](NC[C@H]2C[NH2+]C[C@H]2O)C1 ZINC000261558620 135110190 /nfs/dbraw/zinc/11/01/90/135110190.db2.gz YNIAPKKHKHUJKX-WISYIIOYSA-N 1 3 212.337 0.735 10 0 BCAEHO C[C@@H]1CCC[C@H]([NH2+]C[C@H]2CNC[C@H]2O)C1 ZINC000261558620 135110193 /nfs/dbraw/zinc/11/01/93/135110193.db2.gz YNIAPKKHKHUJKX-WISYIIOYSA-N 1 3 212.337 0.735 10 0 BCAEHO C[C@@H]1[C@H](CO)CCN1C[C@]1(C)CC[NH2+]C1 ZINC000261545721 135150545 /nfs/dbraw/zinc/15/05/45/135150545.db2.gz KFDXJIKIGBWLPL-GRYCIOLGSA-N 1 3 212.337 0.689 10 0 BCAEHO C[C@@H]1CC[N@H+](C[C@H]2CCCNC2)[C@@H]1CO ZINC000261531165 135160407 /nfs/dbraw/zinc/16/04/07/135160407.db2.gz FLNGXDWUDTUUPW-GRYCIOLGSA-N 1 3 212.337 0.689 10 0 BCAEHO C[C@@H]1CC[N@@H+](C[C@H]2CCCNC2)[C@@H]1CO ZINC000261531165 135160408 /nfs/dbraw/zinc/16/04/08/135160408.db2.gz FLNGXDWUDTUUPW-GRYCIOLGSA-N 1 3 212.337 0.689 10 0 BCAEHO OCC[C@@H]1CCC[N@@H+]1C[C@H]1CCCNC1 ZINC000261531681 135160597 /nfs/dbraw/zinc/16/05/97/135160597.db2.gz HMANIGICZFCQKF-RYUDHWBXSA-N 1 3 212.337 0.833 10 0 BCAEHO OCC[C@@H]1CCC[N@H+]1C[C@H]1CCCNC1 ZINC000261531681 135160598 /nfs/dbraw/zinc/16/05/98/135160598.db2.gz HMANIGICZFCQKF-RYUDHWBXSA-N 1 3 212.337 0.833 10 0 BCAEHO COC(=O)CCN1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000261537992 135175625 /nfs/dbraw/zinc/17/56/25/135175625.db2.gz WZWMVDJHMPTEFK-IVZWLZJFSA-N 1 3 212.293 0.219 10 0 BCAEHO C[C@H](CC(=O)N(C)C)[NH2+][C@H]1CCCC[C@H]1CN ZINC000261555875 135196141 /nfs/dbraw/zinc/19/61/41/135196141.db2.gz QEZZSBKJEFYBRO-WOPDTQHZSA-N 1 3 241.379 0.960 10 0 BCAEHO C[C@H](CC(=O)N(C)C)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000261555875 135196142 /nfs/dbraw/zinc/19/61/42/135196142.db2.gz QEZZSBKJEFYBRO-WOPDTQHZSA-N 1 3 241.379 0.960 10 0 BCAEHO C[C@@H]1[C@@H](CO)CC[N@@H+]1C[C@H]1CCCNC1 ZINC000261557540 135197987 /nfs/dbraw/zinc/19/79/87/135197987.db2.gz XJFXXGJMZSPKPE-GRYCIOLGSA-N 1 3 212.337 0.689 10 0 BCAEHO C[C@@H]1[C@@H](CO)CC[N@H+]1C[C@H]1CCCNC1 ZINC000261557540 135197989 /nfs/dbraw/zinc/19/79/89/135197989.db2.gz XJFXXGJMZSPKPE-GRYCIOLGSA-N 1 3 212.337 0.689 10 0 BCAEHO CCC[C@@H](N)C(=O)NC(CC)(CC)C[NH3+] ZINC000261559350 135200546 /nfs/dbraw/zinc/20/05/46/135200546.db2.gz YWZKYANPGQHAFD-SECBINFHSA-N 1 3 215.341 0.748 10 0 BCAEHO O=C(CC[C@H]1CCC[NH2+]1)NCCN1CCCC1 ZINC000261562075 135203581 /nfs/dbraw/zinc/20/35/81/135203581.db2.gz VZJIREHUYWHRGW-GFCCVEGCSA-N 1 3 239.363 0.731 10 0 BCAEHO C[C@@H]1[C@@H]([NH3+])CCN1C(=O)[C@@H]1CCCCN1 ZINC000261562330 135203632 /nfs/dbraw/zinc/20/36/32/135203632.db2.gz BFNXYOQBTDZJRA-UTLUCORTSA-N 1 3 211.309 0.077 10 0 BCAEHO Cn1cc([C@@H]2CCCN2CCOCC[NH3+])cn1 ZINC000261563381 135205462 /nfs/dbraw/zinc/20/54/62/135205462.db2.gz XAAYUNXLJDOEDO-LBPRGKRZSA-N 1 3 238.335 0.532 10 0 BCAEHO Cc1cnn(CCN2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)c1 ZINC000261565837 135208156 /nfs/dbraw/zinc/20/81/56/135208156.db2.gz YORJQCWYAQUCTK-RWMBFGLXSA-N 1 3 234.347 0.861 10 0 BCAEHO C[C@@H](CNC(=O)CC[C@H]1CCC[NH2+]1)N(C)C ZINC000261582727 135223214 /nfs/dbraw/zinc/22/32/14/135223214.db2.gz OPAKKGCSCMOANI-WDEREUQCSA-N 1 3 227.352 0.585 10 0 BCAEHO CCOCCN1CCN(CC[NH3+])C[C@@H]1CC ZINC000261583572 135224511 /nfs/dbraw/zinc/22/45/11/135224511.db2.gz PEBNJEBCJCMMMX-LBPRGKRZSA-N 1 3 229.368 0.378 10 0 BCAEHO COCCOCCN1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000261594817 135234998 /nfs/dbraw/zinc/23/49/98/135234998.db2.gz XSOBZODVRJDYHX-TUAOUCFPSA-N 1 3 228.336 0.319 10 0 BCAEHO COCCOCCN1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000261594803 135235337 /nfs/dbraw/zinc/23/53/37/135235337.db2.gz XSOBZODVRJDYHX-SDDRHHMPSA-N 1 3 228.336 0.319 10 0 BCAEHO COCCOCCN1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000261594809 135235404 /nfs/dbraw/zinc/23/54/04/135235404.db2.gz XSOBZODVRJDYHX-SRVKXCTJSA-N 1 3 228.336 0.319 10 0 BCAEHO COC(=O)[C@@H]1CCN(C[C@@H]2CCC[NH2+]C2)[C@@H]1C ZINC000261638357 135242203 /nfs/dbraw/zinc/24/22/03/135242203.db2.gz DBBFOCAQQUYQBK-IJLUTSLNSA-N 1 3 240.347 0.869 10 0 BCAEHO COC(=O)[C@@H]1CC[N@H+](C[C@@H]2CCCNC2)[C@@H]1C ZINC000261638357 135242204 /nfs/dbraw/zinc/24/22/04/135242204.db2.gz DBBFOCAQQUYQBK-IJLUTSLNSA-N 1 3 240.347 0.869 10 0 BCAEHO COC(=O)[C@@H]1CC[N@@H+](C[C@@H]2CCCNC2)[C@@H]1C ZINC000261638357 135242206 /nfs/dbraw/zinc/24/22/06/135242206.db2.gz DBBFOCAQQUYQBK-IJLUTSLNSA-N 1 3 240.347 0.869 10 0 BCAEHO C[C@]1(CN2C[C@@H]3CC[C@@H](O)[C@@H]3C2)CC[NH2+]C1 ZINC000261712951 135247716 /nfs/dbraw/zinc/24/77/16/135247716.db2.gz DWLFDSKMNVTPJT-LOWDOPEQSA-N 1 3 224.348 0.689 10 0 BCAEHO C[NH2+][C@@H](C)CNC(=O)[C@H](C)N1CCCCCC1 ZINC000261747496 135249910 /nfs/dbraw/zinc/24/99/10/135249910.db2.gz NDGSHZUQJFBBIF-RYUDHWBXSA-N 1 3 241.379 0.975 10 0 BCAEHO CCCN1CCC[C@@H]1C(=O)NC[C@H](C)[NH2+]C ZINC000261766355 135251724 /nfs/dbraw/zinc/25/17/24/135251724.db2.gz OVMHZTOHPUXGLB-WDEREUQCSA-N 1 3 227.352 0.585 10 0 BCAEHO CCCN1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]C ZINC000261766353 135251801 /nfs/dbraw/zinc/25/18/01/135251801.db2.gz OVMHZTOHPUXGLB-QWRGUYRKSA-N 1 3 227.352 0.585 10 0 BCAEHO CCCN(C)CC(=O)N1CC[C@@H](C)C[C@@H]1C[NH3+] ZINC000261849811 135256863 /nfs/dbraw/zinc/25/68/63/135256863.db2.gz QHERNBPLKYSCDZ-VXGBXAGGSA-N 1 3 241.379 0.914 10 0 BCAEHO CCCN(C)CC(=O)N1CC[C@H](C)C[C@@H]1C[NH3+] ZINC000261849809 135256957 /nfs/dbraw/zinc/25/69/57/135256957.db2.gz QHERNBPLKYSCDZ-NWDGAFQWSA-N 1 3 241.379 0.914 10 0 BCAEHO CC[C@H](C)[C@@H](N)C(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000262588787 135307586 /nfs/dbraw/zinc/30/75/86/135307586.db2.gz YNMRECXAUZJGNW-QJPTWQEYSA-N 1 3 241.379 0.866 10 0 BCAEHO CCC1(CNC[C@H]2C[NH2+]C[C@H]2O)CCOCC1 ZINC000263151980 135335368 /nfs/dbraw/zinc/33/53/68/135335368.db2.gz DDNIGIFGLHWMGH-VXGBXAGGSA-N 1 3 242.363 0.363 10 0 BCAEHO CCC1(C[NH2+]C[C@H]2CNC[C@H]2O)CCOCC1 ZINC000263151980 135335369 /nfs/dbraw/zinc/33/53/69/135335369.db2.gz DDNIGIFGLHWMGH-VXGBXAGGSA-N 1 3 242.363 0.363 10 0 BCAEHO C[C@H]1CN(C)CC[C@H]1N(C)C(=O)C1C[NH2+]C1 ZINC000263236822 135341837 /nfs/dbraw/zinc/34/18/37/135341837.db2.gz BSTOAUPPVGYIAG-GXSJLCMTSA-N 1 3 225.336 0.004 10 0 BCAEHO O[C@@H]1CNC[C@@H]1C[NH2+][C@@H]1CCC[C@@H]1C1CC1 ZINC000263239822 135342030 /nfs/dbraw/zinc/34/20/30/135342030.db2.gz OKHPVLBSUWXGIL-FDYHWXHSSA-N 1 3 224.348 0.735 10 0 BCAEHO [NH3+]C[C@H]1CCC[C@H]1C(=O)NCCN1CCCC1 ZINC000089450641 135535431 /nfs/dbraw/zinc/53/54/31/135535431.db2.gz XWLLHEPZTJHTSW-VXGBXAGGSA-N 1 3 239.363 0.573 10 0 BCAEHO C[NH2+][C@H](C)C(=O)N[C@@H](C)CN1CCCCC1 ZINC000054072622 322855205 /nfs/dbraw/zinc/85/52/05/322855205.db2.gz RFBNYSPUEOMWFN-WDEREUQCSA-N 1 3 227.352 0.585 10 0 BCAEHO CC(C)C[C@H](N)C(=O)NC[C@H]1CC[NH2+]C1 ZINC000390574703 397896049 /nfs/dbraw/zinc/89/60/49/397896049.db2.gz VSVBOAOGFZJJAH-UWVGGRQHSA-N 1 3 213.325 0.086 10 0 BCAEHO CC(C)C[C@@H](N)C(=O)NC[C@@H]1CC[NH2+]C1 ZINC000390574702 397896161 /nfs/dbraw/zinc/89/61/61/397896161.db2.gz VSVBOAOGFZJJAH-NXEZZACHSA-N 1 3 213.325 0.086 10 0 BCAEHO CCC[C@@](C)(N)C(=O)NCC[C@@H](C)[NH3+] ZINC000389597580 398116109 /nfs/dbraw/zinc/11/61/09/398116109.db2.gz QXBYCAYCLLWRFF-PSASIEDQSA-N 1 3 201.314 0.357 10 0 BCAEHO CC(C)[N@H+]1C[C@H](NC(=O)[C@H](C)N)[C@@H](C)C1 ZINC000245881176 167032568 /nfs/dbraw/zinc/03/25/68/167032568.db2.gz BEFMHXYZRJHHET-GUBZILKMSA-N 1 3 213.325 0.179 10 0 BCAEHO CC(C)[N@@H+]1C[C@H](NC(=O)[C@H](C)N)[C@@H](C)C1 ZINC000245881176 167032571 /nfs/dbraw/zinc/03/25/71/167032571.db2.gz BEFMHXYZRJHHET-GUBZILKMSA-N 1 3 213.325 0.179 10 0 BCAEHO C([C@@H]1CC[NH2+]C1)N1CCN2CCCC[C@H]2C1 ZINC000086929901 487588417 /nfs/dbraw/zinc/58/84/17/487588417.db2.gz KMLKOMKZALRYPL-OLZOCXBDSA-N 1 3 223.364 0.766 10 0 BCAEHO O[C@@H]1CCC[C@H](CN2C[C@@H]3C[NH2+]C[C@H]3C2)C1 ZINC000309755211 487590810 /nfs/dbraw/zinc/59/08/10/487590810.db2.gz LIIBAGUNIMOXGI-ZDEQEGDKSA-N 1 3 224.348 0.689 10 0 BCAEHO COC[C@H](CN1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1)OC ZINC000662267098 409569141 /nfs/dbraw/zinc/56/91/41/409569141.db2.gz SBHIAULEBZEABD-BJDJZHNGSA-N 1 3 228.336 0.317 10 0 BCAEHO CC(C)[C@@H]([NH3+])CC(=O)N[C@@H]1CCCN(C)C1 ZINC000128985060 410364948 /nfs/dbraw/zinc/36/49/48/410364948.db2.gz XOCJEJYRMVIMEB-MNOVXSKESA-N 1 3 227.352 0.570 10 0 BCAEHO CC(C)[C@H]([NH3+])CC(=O)NCCN(C)C1CC1 ZINC000129050599 410368286 /nfs/dbraw/zinc/36/82/86/410368286.db2.gz ABZDRRWCVJAMCM-LLVKDONJSA-N 1 3 227.352 0.570 10 0 BCAEHO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)[C@H](C)N)C1 ZINC000245881970 167029102 /nfs/dbraw/zinc/02/91/02/167029102.db2.gz BEFMHXYZRJHHET-UTLUCORTSA-N 1 3 213.325 0.179 10 0 BCAEHO CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)[C@H](C)N)C1 ZINC000245881970 167029103 /nfs/dbraw/zinc/02/91/03/167029103.db2.gz BEFMHXYZRJHHET-UTLUCORTSA-N 1 3 213.325 0.179 10 0 BCAEHO CC(C)[NH2+]CCC(=O)N[C@H]1CN2CCC1CC2 ZINC000037618220 167099557 /nfs/dbraw/zinc/09/95/57/167099557.db2.gz DDAMFWHMFMAPPL-LBPRGKRZSA-N 1 3 239.363 0.585 10 0 BCAEHO CC(C)[NH2+]CCCN1C[C@@H](C(N)=O)CC[C@@H]1C ZINC000042438667 167101748 /nfs/dbraw/zinc/10/17/48/167101748.db2.gz IPSADXPWYSSIII-RYUDHWBXSA-N 1 3 241.379 0.960 10 0 BCAEHO CC(C)[NH2+]CCCN1C[C@H](C(N)=O)CC[C@@H]1C ZINC000042438669 167102554 /nfs/dbraw/zinc/10/25/54/167102554.db2.gz IPSADXPWYSSIII-NWDGAFQWSA-N 1 3 241.379 0.960 10 0 BCAEHO CC(C)[C@@H](C[NH3+])N1CCN(C(C)C)CC1 ZINC000036170837 167396759 /nfs/dbraw/zinc/39/67/59/167396759.db2.gz VNFICELLBOSXMW-GFCCVEGCSA-N 1 3 213.369 0.996 10 0 BCAEHO CCC[C@H](N)C(=O)NC1CCC([NH3+])CC1 ZINC000051694892 411281410 /nfs/dbraw/zinc/28/14/10/411281410.db2.gz KMXXPDAGFJQXSM-RTBKNWGFSA-N 1 3 213.325 0.500 10 0 BCAEHO CN1CCC[C@@H](CNC(=O)[C@@H]2CC[NH2+]C2)C1 ZINC000062116603 411348513 /nfs/dbraw/zinc/34/85/13/411348513.db2.gz KRVCTLAAKNPCHP-WDEREUQCSA-N 1 3 225.336 0.054 10 0 BCAEHO CCNC(=O)CCN1[C@@H]2CC[C@H]1CC([NH3+])C2 ZINC000051761638 170052463 /nfs/dbraw/zinc/05/24/63/170052463.db2.gz IHBGTJLQZASCEA-FGWVZKOKSA-N 1 3 225.336 0.467 10 0 BCAEHO CCNC(=O)N1CCCN(CCCC[NH3+])CC1 ZINC000037039343 170073534 /nfs/dbraw/zinc/07/35/34/170073534.db2.gz BLTBZUKJWSFTOK-UHFFFAOYSA-N 1 3 242.367 0.463 10 0 BCAEHO CC[NH2+]CCC(=O)N(C)C1CCN(CC)CC1 ZINC000061289485 170112104 /nfs/dbraw/zinc/11/21/04/170112104.db2.gz GTFPAGMJLYOJKY-UHFFFAOYSA-N 1 3 241.379 0.929 10 0 BCAEHO CC[NH2+][C@@H](C)C1CCN([C@@H](CC)C(N)=O)CC1 ZINC000104424824 170138808 /nfs/dbraw/zinc/13/88/08/170138808.db2.gz DOWCNXZZXQJPIB-JQWIXIFHSA-N 1 3 241.379 0.960 10 0 BCAEHO CCOCCCN1CCN(CCC[NH3+])CC1 ZINC000083550247 170372753 /nfs/dbraw/zinc/37/27/53/170372753.db2.gz YTTGMCDCQJULQU-UHFFFAOYSA-N 1 3 229.368 0.379 10 0 BCAEHO C[C@H]1CN(C[C@H]2CCC3(C[NH2+]C3)O2)CCS1 ZINC000662257006 412050854 /nfs/dbraw/zinc/05/08/54/412050854.db2.gz LIWAQYUNHKWAJY-WDEREUQCSA-N 1 3 242.388 0.945 10 0 BCAEHO CC[C@@H]1CN(C2(C[NH3+])CCN(C)CC2)CCO1 ZINC000036769518 171073337 /nfs/dbraw/zinc/07/33/37/171073337.db2.gz LJNLMRVCBBTMDO-GFCCVEGCSA-N 1 3 241.379 0.520 10 0 BCAEHO CC[C@@H]1CNCC[N@@H+]1C1CCN(C)CC1 ZINC000083086575 171101965 /nfs/dbraw/zinc/10/19/65/171101965.db2.gz ZKINWRMDNIKIJN-LLVKDONJSA-N 1 3 211.353 0.764 10 0 BCAEHO CC[C@@H]1CNCC[N@H+]1C1CCN(C)CC1 ZINC000083086575 171101967 /nfs/dbraw/zinc/10/19/67/171101967.db2.gz ZKINWRMDNIKIJN-LLVKDONJSA-N 1 3 211.353 0.764 10 0 BCAEHO CC[C@H](C)[NH2+]CC(=O)N1CCCNCC1 ZINC000037479780 171339087 /nfs/dbraw/zinc/33/90/87/171339087.db2.gz UGMZUDGBFJBSMS-JTQLQIEISA-N 1 3 213.325 0.196 10 0 BCAEHO CC[C@H](C)[C@@H](N)C(=O)N(C)[C@H]1CC[NH2+]C1 ZINC000247331718 171369706 /nfs/dbraw/zinc/36/97/06/171369706.db2.gz VCRPGQDGARYNCS-LPEHRKFASA-N 1 3 213.325 0.180 10 0 BCAEHO OC[C@H]([NH2+][C@@H]1CCCNCC1)C1CCC1 ZINC000665235736 412173926 /nfs/dbraw/zinc/17/39/26/412173926.db2.gz ZDFCPDVCGKFBAL-NEPJUHHUSA-N 1 3 212.337 0.879 10 0 BCAEHO OC[C@H](N[C@@H]1CCC[NH2+]CC1)C1CCC1 ZINC000665235736 412173930 /nfs/dbraw/zinc/17/39/30/412173930.db2.gz ZDFCPDVCGKFBAL-NEPJUHHUSA-N 1 3 212.337 0.879 10 0 BCAEHO CN(C)CCNC(=O)[C@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000019488069 172460407 /nfs/dbraw/zinc/46/04/07/172460407.db2.gz QCAKRCUKYMGVKX-SDDRHHMPSA-N 1 3 239.363 0.585 10 0 BCAEHO CN1CCCC[C@@H]1CNC(=O)[C@@H]1CC[NH2+]C1 ZINC000062116604 173005207 /nfs/dbraw/zinc/00/52/07/173005207.db2.gz ITWVYLAYQVFOCB-GHMZBOCLSA-N 1 3 225.336 0.196 10 0 BCAEHO CN1CCCC[C@@H]1CN[C@@H]1CCC[NH2+]C1 ZINC000044560783 173005392 /nfs/dbraw/zinc/00/53/92/173005392.db2.gz KCQSVVHSCMRDNI-VXGBXAGGSA-N 1 3 211.353 0.812 10 0 BCAEHO CN1CCCN(CC2([NH3+])CCCC2)CC1 ZINC000037479592 173015160 /nfs/dbraw/zinc/01/51/60/173015160.db2.gz GHGPZDLLVJTKHP-UHFFFAOYSA-N 1 3 211.353 0.895 10 0 BCAEHO CN1CCCN([C@@H](C[NH3+])C(C)(C)C)CC1 ZINC000041051537 173017099 /nfs/dbraw/zinc/01/70/99/173017099.db2.gz ICTCQHJSNRYJIL-NSHDSACASA-N 1 3 213.369 0.997 10 0 BCAEHO CN(C(=O)[C@@H]1CC[NH2+]C1)[C@H]1CCCN(C)C1 ZINC000062116886 173044023 /nfs/dbraw/zinc/04/40/23/173044023.db2.gz OLMLXSFUTAPVFR-MNOVXSKESA-N 1 3 225.336 0.149 10 0 BCAEHO CN1CCC[C@H]1CNC(=O)[C@H]1CCC[NH2+]C1 ZINC000226083199 173056514 /nfs/dbraw/zinc/05/65/14/173056514.db2.gz DCNSTDOTIQHMRO-QWRGUYRKSA-N 1 3 225.336 0.196 10 0 BCAEHO CN1CCN(C[C@@H]2CC23CC[NH2+]CC3)CC1 ZINC000069792439 173084740 /nfs/dbraw/zinc/08/47/40/173084740.db2.gz MCJVAKMTQNNUDK-LBPRGKRZSA-N 1 3 223.364 0.624 10 0 BCAEHO CN1CCN(C[C@@H]2CCCC[C@@H]2[NH3+])CC1 ZINC000058081571 173085139 /nfs/dbraw/zinc/08/51/39/173085139.db2.gz OECPXPZWNJEOIV-RYUDHWBXSA-N 1 3 211.353 0.751 10 0 BCAEHO CN(C[C@@H]1CC[N@H+](C)C1)c1ncccc1CN ZINC000071187551 173112363 /nfs/dbraw/zinc/11/23/63/173112363.db2.gz PONYJVZHTCTTRK-LLVKDONJSA-N 1 3 234.347 0.928 10 0 BCAEHO CN(C[C@@H]1CC[N@@H+](C)C1)c1ncccc1CN ZINC000071187551 173112364 /nfs/dbraw/zinc/11/23/64/173112364.db2.gz PONYJVZHTCTTRK-LLVKDONJSA-N 1 3 234.347 0.928 10 0 BCAEHO CN(C[C@@H]1CC[N@H+](C)C1)[C@@H](CN)c1cccnc1 ZINC000071188107 173113718 /nfs/dbraw/zinc/11/37/18/173113718.db2.gz QJDWHBYCBDWLPQ-OCCSQVGLSA-N 1 3 248.374 0.965 10 0 BCAEHO CN(C[C@@H]1CC[N@@H+](C)C1)[C@@H](CN)c1cccnc1 ZINC000071188107 173113719 /nfs/dbraw/zinc/11/37/19/173113719.db2.gz QJDWHBYCBDWLPQ-OCCSQVGLSA-N 1 3 248.374 0.965 10 0 BCAEHO Cn1cc(C[NH2+]C[C@@H]2CCN(C)C2)cn1 ZINC000037484780 173118054 /nfs/dbraw/zinc/11/80/54/173118054.db2.gz JITNHFXJHFBTSX-JTQLQIEISA-N 1 3 208.309 0.461 10 0 BCAEHO CN1CC[C@@H](NC(=O)CCC2CC[NH2+]CC2)C1 ZINC000050951054 173122088 /nfs/dbraw/zinc/12/20/88/173122088.db2.gz ZCJVFGVCXNUUPI-GFCCVEGCSA-N 1 3 239.363 0.587 10 0 BCAEHO CN(CC1CCOCC1)[C@]1(C[NH3+])CCN(C)C1 ZINC000104193704 173136256 /nfs/dbraw/zinc/13/62/56/173136256.db2.gz AYTOMBOJNFEWAV-ZDUSSCGKSA-N 1 3 241.379 0.378 10 0 BCAEHO Cn1cc(C[NH2+]C[C@H]2CCN(C)C2)cn1 ZINC000037484781 173146334 /nfs/dbraw/zinc/14/63/34/173146334.db2.gz JITNHFXJHFBTSX-SNVBAGLBSA-N 1 3 208.309 0.461 10 0 BCAEHO C[N@@H+]1CC[C@](CN)(N2CCOC(C)(C)C2)C1 ZINC000061990311 173162161 /nfs/dbraw/zinc/16/21/61/173162161.db2.gz SXJMLHRJTMUZEP-GFCCVEGCSA-N 1 3 227.352 0.130 10 0 BCAEHO C[N@H+]1CC[C@](CN)(N2CCOC(C)(C)C2)C1 ZINC000061990311 173162163 /nfs/dbraw/zinc/16/21/63/173162163.db2.gz SXJMLHRJTMUZEP-GFCCVEGCSA-N 1 3 227.352 0.130 10 0 BCAEHO CNC(=O)C1CC[NH+]([C@@H]2CCC[C@H]2CN)CC1 ZINC000036128607 173224100 /nfs/dbraw/zinc/22/41/00/173224100.db2.gz DTRVHBJVVAGVCX-NWDGAFQWSA-N 1 3 239.363 0.572 10 0 BCAEHO CNC(=O)C1CCN([C@@H]2CCC[C@H]2C[NH3+])CC1 ZINC000036128607 173224102 /nfs/dbraw/zinc/22/41/02/173224102.db2.gz DTRVHBJVVAGVCX-NWDGAFQWSA-N 1 3 239.363 0.572 10 0 BCAEHO C[NH2+]C(C)(C)C(=O)N1CC[C@H](N2CCCC2)C1 ZINC000062972863 173318425 /nfs/dbraw/zinc/31/84/25/173318425.db2.gz DDEGWGLSAIDABB-NSHDSACASA-N 1 3 239.363 0.681 10 0 BCAEHO C[NH2+]C1CCN([C@@H]2CCCN(C)C2)CC1 ZINC000040715848 173323979 /nfs/dbraw/zinc/32/39/79/173323979.db2.gz ZAHDAYSVVLTLDP-GFCCVEGCSA-N 1 3 211.353 0.764 10 0 BCAEHO C[NH2+]C1CCN([C@H]2CCCC[C@H]2O)CC1 ZINC000037690850 173324043 /nfs/dbraw/zinc/32/40/43/173324043.db2.gz GKFCEGGMIFSZFD-NWDGAFQWSA-N 1 3 212.337 0.974 10 0 BCAEHO CNCC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000040810389 173327641 /nfs/dbraw/zinc/32/76/41/173327641.db2.gz BCJFYXNOELVASV-UHFFFAOYSA-N 1 3 227.352 0.631 10 0 BCAEHO C[NH2+]CCC(=O)N(C)[C@H]1CCCN(C)C1 ZINC000053245652 173339638 /nfs/dbraw/zinc/33/96/38/173339638.db2.gz MMGYVRHNVAKXQH-JTQLQIEISA-N 1 3 213.325 0.149 10 0 BCAEHO C[NH2+]C[C@@H](O)CN1[C@@H](C)CCC[C@@H]1C ZINC000019864020 173365054 /nfs/dbraw/zinc/36/50/54/173365054.db2.gz DPMIODYQLXRLPL-GARJFASQSA-N 1 3 200.326 0.830 10 0 BCAEHO C[NH2+]C[C@@H]1CCCN([C@@H]2CCN(C)C2)C1 ZINC000061991736 173368235 /nfs/dbraw/zinc/36/82/35/173368235.db2.gz QLTNILSNEFBYIC-NWDGAFQWSA-N 1 3 211.353 0.622 10 0 BCAEHO C[NH2+]C[C@H]1CCCN(CC[C@H](C)O)C1 ZINC000134113619 173379324 /nfs/dbraw/zinc/37/93/24/173379324.db2.gz XYMKPRMCELBMTF-WDEREUQCSA-N 1 3 200.326 0.689 10 0 BCAEHO C[NH2+]C[C@]1(CN(CCO)C(C)C)CCCOC1 ZINC000104314484 173384173 /nfs/dbraw/zinc/38/41/73/173384173.db2.gz ZDOOBLOUBCRCSX-ZDUSSCGKSA-N 1 3 244.379 0.705 10 0 BCAEHO COCCCN1CCC[NH2+]C[C@H](C)C1 ZINC000049665812 174228020 /nfs/dbraw/zinc/22/80/20/174228020.db2.gz YCRRXVRJDGCVPP-NSHDSACASA-N 1 3 200.326 0.954 10 0 BCAEHO COCCC[N@@H+]1CCCNC[C@H](C)C1 ZINC000049665812 174228023 /nfs/dbraw/zinc/22/80/23/174228023.db2.gz YCRRXVRJDGCVPP-NSHDSACASA-N 1 3 200.326 0.954 10 0 BCAEHO COCCC[N@H+]1CCCNC[C@H](C)C1 ZINC000049665812 174228024 /nfs/dbraw/zinc/22/80/24/174228024.db2.gz YCRRXVRJDGCVPP-NSHDSACASA-N 1 3 200.326 0.954 10 0 BCAEHO COCCC[NH2+]CCN1CCN(C(C)C)CC1 ZINC000053382725 174247075 /nfs/dbraw/zinc/24/70/75/174247075.db2.gz COIBZZBOFCDGQC-UHFFFAOYSA-N 1 3 243.395 0.639 10 0 BCAEHO COCC[N@H+](CC(C)C)C[C@H](O)CNC(C)C ZINC000042368659 174287529 /nfs/dbraw/zinc/28/75/29/174287529.db2.gz CTYDDLUXKIGGDR-CYBMUJFWSA-N 1 3 246.395 0.950 10 0 BCAEHO COCC[N@@H+](CC(C)C)C[C@H](O)CNC(C)C ZINC000042368659 174287531 /nfs/dbraw/zinc/28/75/31/174287531.db2.gz CTYDDLUXKIGGDR-CYBMUJFWSA-N 1 3 246.395 0.950 10 0 BCAEHO COCCNC(=O)[C@@H](C)[NH2+][C@@H](C)CCN(C)C ZINC000049557795 174325842 /nfs/dbraw/zinc/32/58/42/174325842.db2.gz QGQKGMNQCVZDAP-WDEREUQCSA-N 1 3 245.367 0.067 10 0 BCAEHO CC(C)[C@H]([NH3+])CC(=O)NC[C@@H]1CCCN1C ZINC000225813572 487629554 /nfs/dbraw/zinc/62/95/54/487629554.db2.gz BNLPHFAWFRSSFM-WDEREUQCSA-N 1 3 227.352 0.570 10 0 BCAEHO COc1ccc(CCNCC[NH3+])cc1OC ZINC000019732695 175091518 /nfs/dbraw/zinc/09/15/18/175091518.db2.gz LRNQYHQQMIXTAD-UHFFFAOYSA-N 1 3 224.304 0.795 10 0 BCAEHO C[C@@H]1CC[C@@H](C(N)=O)C[N@@H+]1[C@@H]1CCC[C@@H]1CN ZINC000042428219 176196305 /nfs/dbraw/zinc/19/63/05/176196305.db2.gz RGOCRBQYDIONLZ-DDHJBXDOSA-N 1 3 239.363 0.700 10 0 BCAEHO C[C@@H]1CC[C@@H](C(N)=O)C[N@H+]1[C@@H]1CCC[C@@H]1CN ZINC000042428219 176196307 /nfs/dbraw/zinc/19/63/07/176196307.db2.gz RGOCRBQYDIONLZ-DDHJBXDOSA-N 1 3 239.363 0.700 10 0 BCAEHO C[C@@H]1CC[C@H](C[NH3+])CN1CCN1CCOCC1 ZINC000042427414 176223700 /nfs/dbraw/zinc/22/37/00/176223700.db2.gz DMGYJROMOLJUHY-CHWSQXEVSA-N 1 3 241.379 0.378 10 0 BCAEHO C[C@@H]1CN(C[C@]2(C[NH3+])CCOC2)CCCO1 ZINC000061934209 176302364 /nfs/dbraw/zinc/30/23/64/176302364.db2.gz OJGDZOGWHLLSCA-VXGBXAGGSA-N 1 3 228.336 0.463 10 0 BCAEHO C[C@@H]1C[N@H+](C[C@]2(CN)CCOC2)CCCO1 ZINC000061934209 176302365 /nfs/dbraw/zinc/30/23/65/176302365.db2.gz OJGDZOGWHLLSCA-VXGBXAGGSA-N 1 3 228.336 0.463 10 0 BCAEHO C[C@@H]1C[N@@H+](C[C@]2(CN)CCOC2)CCCO1 ZINC000061934209 176302366 /nfs/dbraw/zinc/30/23/66/176302366.db2.gz OJGDZOGWHLLSCA-VXGBXAGGSA-N 1 3 228.336 0.463 10 0 BCAEHO C[C@@H]1C[NH2+]C[C@@H]1C(=O)NCCN1CCCCC1 ZINC000104214867 176328987 /nfs/dbraw/zinc/32/89/87/176328987.db2.gz FNDGRNVZKWQZCJ-NEPJUHHUSA-N 1 3 239.363 0.444 10 0 BCAEHO C[C@@H]1COCCN1C1(C[NH3+])CCN(C)CC1 ZINC000035774959 176336018 /nfs/dbraw/zinc/33/60/18/176336018.db2.gz DLNPYHDRAJZUOP-LLVKDONJSA-N 1 3 227.352 0.130 10 0 BCAEHO C[C@H](CNCCC[N@@H+]1CCCC[C@@H]1C)C(N)=O ZINC000037227246 177074918 /nfs/dbraw/zinc/07/49/18/177074918.db2.gz NALVWLCHIOLOGJ-NEPJUHHUSA-N 1 3 241.379 0.962 10 0 BCAEHO C[C@H](CNCCC[N@H+]1CCCC[C@@H]1C)C(N)=O ZINC000037227246 177074920 /nfs/dbraw/zinc/07/49/20/177074920.db2.gz NALVWLCHIOLOGJ-NEPJUHHUSA-N 1 3 241.379 0.962 10 0 BCAEHO C[C@H](C[NH2+]CCCN1CCCC[C@@H]1C)C(N)=O ZINC000037227246 177074921 /nfs/dbraw/zinc/07/49/21/177074921.db2.gz NALVWLCHIOLOGJ-NEPJUHHUSA-N 1 3 241.379 0.962 10 0 BCAEHO C[C@H]1CCC[N@@H+]1C1(CN)CCN(C)CC1 ZINC000037910344 177108779 /nfs/dbraw/zinc/10/87/79/177108779.db2.gz WHAJIFVAYMTXIZ-NSHDSACASA-N 1 3 211.353 0.894 10 0 BCAEHO C[C@H]1CCC[N@H+]1C1(CN)CCN(C)CC1 ZINC000037910344 177108780 /nfs/dbraw/zinc/10/87/80/177108780.db2.gz WHAJIFVAYMTXIZ-NSHDSACASA-N 1 3 211.353 0.894 10 0 BCAEHO C[C@H]1CCC[C@H](C(=O)N[C@@H]2CCN(C)C2)[C@@H]1[NH3+] ZINC000055139827 177129409 /nfs/dbraw/zinc/12/94/09/177129409.db2.gz MXQJAJBFXLPJDF-WHOHXGKFSA-N 1 3 239.363 0.570 10 0 BCAEHO CC[C@H](C)[C@@H](N)C(=O)NCC[NH2+]C1CC1 ZINC000237068214 487637553 /nfs/dbraw/zinc/63/75/53/487637553.db2.gz DQUMDWBHQASHRT-WCBMZHEXSA-N 1 3 213.325 0.228 10 0 BCAEHO C[C@H]1C[N@@H+](C2CCN(C)CC2)CCCN1 ZINC000062570478 177241590 /nfs/dbraw/zinc/24/15/90/177241590.db2.gz FHMQWCKZNAHFRC-NSHDSACASA-N 1 3 211.353 0.764 10 0 BCAEHO C[C@H]1C[N@H+](C2CCN(C)CC2)CCCN1 ZINC000062570478 177241592 /nfs/dbraw/zinc/24/15/92/177241592.db2.gz FHMQWCKZNAHFRC-NSHDSACASA-N 1 3 211.353 0.764 10 0 BCAEHO C[C@H]1CN(CC2(O)CC[NH2+]CC2)C[C@H](C)O1 ZINC000051015881 177245224 /nfs/dbraw/zinc/24/52/24/177245224.db2.gz BYZPPEGPPULBTF-QWRGUYRKSA-N 1 3 228.336 0.210 10 0 BCAEHO C[C@H]1COCCN1[C@]1(CN)CC[N@@H+](C2CC2)C1 ZINC000061990257 177293246 /nfs/dbraw/zinc/29/32/46/177293246.db2.gz BSXBGMFGVJMSJB-AAEUAGOBSA-N 1 3 239.363 0.273 10 0 BCAEHO C[C@H]1COCCN1[C@]1(CN)CC[N@H+](C2CC2)C1 ZINC000061990257 177293247 /nfs/dbraw/zinc/29/32/47/177293247.db2.gz BSXBGMFGVJMSJB-AAEUAGOBSA-N 1 3 239.363 0.273 10 0 BCAEHO C[C@H](N[C@@H]1C[C@H](O)C1(C)C)[C@@H]1CC[NH2+]C1 ZINC000400415355 226342959 /nfs/dbraw/zinc/34/29/59/226342959.db2.gz VCMBDNCKMAVVSY-ZDCRXTMVSA-N 1 3 212.337 0.733 10 0 BCAEHO CCN1CCC[C@@H](NC(=O)C[C@@H]([NH3+])C(C)C)C1 ZINC000228486798 487657720 /nfs/dbraw/zinc/65/77/20/487657720.db2.gz IVADIGIGUAKRJY-VXGBXAGGSA-N 1 3 241.379 0.960 10 0 BCAEHO CN[C@H](C)C(=O)NC[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000662593837 487663417 /nfs/dbraw/zinc/66/34/17/487663417.db2.gz QJRIWXTZCYNMNQ-GHMZBOCLSA-N 1 3 241.379 0.831 10 0 BCAEHO CN[C@H](C)C(=O)NC[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000662593837 487663419 /nfs/dbraw/zinc/66/34/19/487663419.db2.gz QJRIWXTZCYNMNQ-GHMZBOCLSA-N 1 3 241.379 0.831 10 0 BCAEHO CN1CCC[C@@H](NC(=O)[C@H]2CCC[NH2+]C2)C1 ZINC000088033361 487699172 /nfs/dbraw/zinc/69/91/72/487699172.db2.gz DMQAXSAXUNVKPW-WDEREUQCSA-N 1 3 225.336 0.196 10 0 BCAEHO C[C@H](CNC(=O)C[C@H]1CCC[NH2+]C1)N(C)C ZINC000054292370 487709143 /nfs/dbraw/zinc/70/91/43/487709143.db2.gz KDNGFAYVYXIMEM-GHMZBOCLSA-N 1 3 227.352 0.442 10 0 BCAEHO CN(C)[C@H]1CCN(C(=O)CC(C)(C)[NH3+])C1 ZINC000082772598 487729931 /nfs/dbraw/zinc/72/99/31/487729931.db2.gz XNXHRFBQNXIQQY-VIFPVBQESA-N 1 3 213.325 0.276 10 0 BCAEHO CN1CCC[C@@H](NC(=O)C[C@H]2CCC[NH2+]C2)C1 ZINC000250610500 487735631 /nfs/dbraw/zinc/73/56/31/487735631.db2.gz MMGHLOMIDDJUKY-VXGBXAGGSA-N 1 3 239.363 0.587 10 0 BCAEHO CN[C@H](C)C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000251052410 487747603 /nfs/dbraw/zinc/74/76/03/487747603.db2.gz SODDOZGTULRSPL-VWYCJHECSA-N 1 3 225.336 0.337 10 0 BCAEHO CN[C@H](C)C(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000251052410 487747607 /nfs/dbraw/zinc/74/76/07/487747607.db2.gz SODDOZGTULRSPL-VWYCJHECSA-N 1 3 225.336 0.337 10 0 BCAEHO O[C@H](CN[C@H]1CCCC[C@H]1O)C[NH+]1CCCC1 ZINC000251291204 487753578 /nfs/dbraw/zinc/75/35/78/487753578.db2.gz NREYEYKDUKTLQO-FRRDWIJNSA-N 1 3 242.363 0.336 10 0 BCAEHO Cn1cc([C@H]2NCC23CC[NH2+]CC3)cn1 ZINC000536961001 323973906 /nfs/dbraw/zinc/97/39/06/323973906.db2.gz WQUCCRORMYJBRQ-SNVBAGLBSA-N 1 3 206.293 0.434 10 0 BCAEHO OC1CC(CN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000156137781 326220059 /nfs/dbraw/zinc/22/00/59/326220059.db2.gz OJWXEDZOSYKUIN-QBHFIFKDSA-N 1 3 224.348 0.974 10 0 BCAEHO OC1CC(CN[C@@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000156137781 326220061 /nfs/dbraw/zinc/22/00/61/326220061.db2.gz OJWXEDZOSYKUIN-QBHFIFKDSA-N 1 3 224.348 0.974 10 0 BCAEHO CN(C)[C@H]1CCN(C(=O)C[C@H]2CC[NH2+]C2)C1 ZINC000084383396 488048953 /nfs/dbraw/zinc/04/89/53/488048953.db2.gz SLFYGDGLRQBGCU-MNOVXSKESA-N 1 3 225.336 0.149 10 0 BCAEHO CC(C)[C@H]([NH3+])CC(=O)NC[C@H]1CCCN(C)C1 ZINC000136445045 488103320 /nfs/dbraw/zinc/10/33/20/488103320.db2.gz NXCUJVTUGOFHLJ-VXGBXAGGSA-N 1 3 241.379 0.818 10 0 BCAEHO CC(C)[C@H]([NH3+])CC(=O)N[C@H]1CCN(C2CC2)C1 ZINC000136445847 488103382 /nfs/dbraw/zinc/10/33/82/488103382.db2.gz ZFORMEWXCVBNFN-CMPLNLGQSA-N 1 3 239.363 0.713 10 0 BCAEHO CCCN1CC[C@H](NC(=O)[C@H]2CC[C@H]([NH3+])C2)C1 ZINC000389636186 488103700 /nfs/dbraw/zinc/10/37/00/488103700.db2.gz JJHPOVSQZTYNRM-SRVKXCTJSA-N 1 3 239.363 0.714 10 0 BCAEHO CCCN1CC[C@@H](NC(=O)[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000389753424 488109206 /nfs/dbraw/zinc/10/92/06/488109206.db2.gz QNSZUFLTOWHCAK-IJLUTSLNSA-N 1 3 239.363 0.442 10 0 BCAEHO CC(C)NCC(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000094460012 487537073 /nfs/dbraw/zinc/53/70/73/487537073.db2.gz VJBJLBIWPWQUSD-VXGBXAGGSA-N 1 3 239.363 0.680 10 0 BCAEHO CC(C)NCC(=O)N1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC000094460012 487537076 /nfs/dbraw/zinc/53/70/76/487537076.db2.gz VJBJLBIWPWQUSD-VXGBXAGGSA-N 1 3 239.363 0.680 10 0 BCAEHO CN1CCC[C@H](NC(=O)[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000085011711 488121520 /nfs/dbraw/zinc/12/15/20/488121520.db2.gz VANYUSSQEWOQAW-VWYCJHECSA-N 1 3 225.336 0.324 10 0 BCAEHO CCN1CCC[C@H](NC(=O)C[C@H]2CC[NH2+]C2)C1 ZINC000246941406 488124097 /nfs/dbraw/zinc/12/40/97/488124097.db2.gz JZBUXOJSWLKEIF-NEPJUHHUSA-N 1 3 239.363 0.587 10 0 BCAEHO C[C@@H](CNC(=O)C[C@@H]1CC[NH2+]C1)N1CCCC1 ZINC000161058706 487474838 /nfs/dbraw/zinc/47/48/38/487474838.db2.gz POXLCETXECKHNO-RYUDHWBXSA-N 1 3 239.363 0.587 10 0 BCAEHO CN[C@H](C)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000322415698 488187167 /nfs/dbraw/zinc/18/71/67/488187167.db2.gz KDEVQZRPDIEGOL-UBJLHIIHSA-N 1 3 225.336 0.336 10 0 BCAEHO CN[C@H](C)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000322415698 488187170 /nfs/dbraw/zinc/18/71/70/488187170.db2.gz KDEVQZRPDIEGOL-UBJLHIIHSA-N 1 3 225.336 0.336 10 0 BCAEHO CCN1CCCC[C@@H]1CNC(=O)C1C[NH2+]C1 ZINC000263314934 535480090 /nfs/dbraw/zinc/48/00/90/535480090.db2.gz QBYSPRNLJOWQLB-LLVKDONJSA-N 1 3 225.336 0.196 10 0 BCAEHO CCC[C@H](N)C(=O)N[C@H]1CCC[C@@H]1C[NH3+] ZINC000261555951 535680628 /nfs/dbraw/zinc/68/06/28/535680628.db2.gz VKVGWGNZXCYQPH-UTLUCORTSA-N 1 3 213.325 0.357 10 0 BCAEHO COC(=O)CCN[C@@H]1CC[NH2+]CC1(C)C ZINC000261534165 536458531 /nfs/dbraw/zinc/45/85/31/536458531.db2.gz LVEMJNIPLAQHFQ-SECBINFHSA-N 1 3 214.309 0.527 10 0 BCAEHO COC(=O)CC[NH2+][C@@H]1CCNCC1(C)C ZINC000261534165 536458535 /nfs/dbraw/zinc/45/85/35/536458535.db2.gz LVEMJNIPLAQHFQ-SECBINFHSA-N 1 3 214.309 0.527 10 0 BCAEHO CN(C)CC[N@@H+]1CCCC12CCNCC2 ZINC000757129007 586426567 /nfs/dbraw/zinc/42/65/67/586426567.db2.gz KQAQSRROTDZVHH-UHFFFAOYSA-N 1 3 211.353 0.766 10 0 BCAEHO CN(C)CC[N@H+]1CCCC12CCNCC2 ZINC000757129007 586426568 /nfs/dbraw/zinc/42/65/68/586426568.db2.gz KQAQSRROTDZVHH-UHFFFAOYSA-N 1 3 211.353 0.766 10 0 BCAEHO CCN1CCC2(CC1)[NH2+]CC[C@@]1(CCOC1)O2 ZINC000757150020 586429014 /nfs/dbraw/zinc/42/90/14/586429014.db2.gz WPXYLOQBOCWDJQ-LBPRGKRZSA-N 1 3 240.347 0.967 10 0 BCAEHO NC[C@@H]1C[NH2+]C[C@H](c2cccc(N)c2)C1 ZINC000757212348 586439372 /nfs/dbraw/zinc/43/93/72/586439372.db2.gz IJWRMZNZQGGTBM-MWLCHTKSSA-N 1 3 205.305 0.921 10 0 BCAEHO Nc1cccc([C@H]2CNC[C@@H](C[NH3+])C2)c1 ZINC000757212348 586439374 /nfs/dbraw/zinc/43/93/74/586439374.db2.gz IJWRMZNZQGGTBM-MWLCHTKSSA-N 1 3 205.305 0.921 10 0 BCAEHO Cc1ccc(N)cc1[C@@H]1C[NH2+]CC[C@H]1N ZINC000757236320 586443598 /nfs/dbraw/zinc/44/35/98/586443598.db2.gz OCSYHAZWUMODFY-NWDGAFQWSA-N 1 3 205.305 0.981 10 0 BCAEHO Cc1ccc(N)cc1[C@@H]1CNCC[C@H]1[NH3+] ZINC000757236320 586443599 /nfs/dbraw/zinc/44/35/99/586443599.db2.gz OCSYHAZWUMODFY-NWDGAFQWSA-N 1 3 205.305 0.981 10 0 BCAEHO CN(C)[C@@H]1CCN(C(=O)C[C@@H]([NH3+])C2CC2)C1 ZINC000129875109 591415151 /nfs/dbraw/zinc/41/51/51/591415151.db2.gz DPLJNAZCGOWXPJ-GHMZBOCLSA-N 1 3 225.336 0.276 10 0 BCAEHO [NH3+][C@@H](CC(=O)N1CCN2CCC[C@H]2C1)C1CC1 ZINC000137322153 592172820 /nfs/dbraw/zinc/17/28/20/592172820.db2.gz IODGXFXCZPGIAE-RYUDHWBXSA-N 1 3 237.347 0.420 10 0 BCAEHO CCCCOC[C@H](O)CN1CC[C@](C)(C[NH3+])C1 ZINC000310276439 634104519 /nfs/dbraw/zinc/10/45/19/634104519.db2.gz JUMOCKLTOKTSGW-CHWSQXEVSA-N 1 3 244.379 0.835 10 0 BCAEHO CCCCOC[C@@H](O)CN1CCC[C@@H](C[NH3+])C1 ZINC000227910225 640854233 /nfs/dbraw/zinc/85/42/33/640854233.db2.gz TXCVMVKMLVCJPV-STQMWFEESA-N 1 3 244.379 0.835 10 0 BCAEHO C[NH+](C)[C@H]1CCN(c2ccncc2CO)C1 ZINC000088110292 641315195 /nfs/dbraw/zinc/31/51/95/641315195.db2.gz GJVIUQHTEREQMR-NSHDSACASA-N 1 3 221.304 0.714 10 0 BCAEHO CC(C)OC[C@H](O)CN1CCC[C@H](C[NH3+])C1 ZINC000069660933 642892564 /nfs/dbraw/zinc/89/25/64/642892564.db2.gz CKVSPNKZYMMXIP-VXGBXAGGSA-N 1 3 230.352 0.443 10 0 BCAEHO O[C@@H]1C[C@H]2C[C@@H](C1)N(CCC[NH2+]C1CC1)C2 ZINC000709782066 712226542 /nfs/dbraw/zinc/22/65/42/712226542.db2.gz CCVBMOLDCLLWCE-KGYLQXTDSA-N 1 3 224.348 0.974 10 0 BCAEHO O[C@@H]1C[C@H]2C[C@@H](C1)[N@H+](CCCNC1CC1)C2 ZINC000709782066 712226544 /nfs/dbraw/zinc/22/65/44/712226544.db2.gz CCVBMOLDCLLWCE-KGYLQXTDSA-N 1 3 224.348 0.974 10 0 BCAEHO O[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCCNC1CC1)C2 ZINC000709782066 712226546 /nfs/dbraw/zinc/22/65/46/712226546.db2.gz CCVBMOLDCLLWCE-KGYLQXTDSA-N 1 3 224.348 0.974 10 0 BCAEHO CN1CCC[C@@H]2[C@H]1CCN2C(=O)C1CC([NH3+])C1 ZINC000720901461 712875634 /nfs/dbraw/zinc/87/56/34/712875634.db2.gz SALRTASNGGPNAT-KIDURHIOSA-N 1 3 237.347 0.419 10 0 BCAEHO CCC[C@](C)(N)C(=O)NC[C@@H]1CC[NH2+]C1 ZINC000381491963 398259800 /nfs/dbraw/zinc/25/98/00/398259800.db2.gz YGFBMPKSEBCVNW-KOLCDFICSA-N 1 3 213.325 0.230 10 0 BCAEHO C[C@H](CNC(=O)[C@@H]1CC[C@H]([NH3+])C1)N(C)C1CC1 ZINC000167336923 136245484 /nfs/dbraw/zinc/24/54/84/136245484.db2.gz CMQQMNGNRBYMJH-MXWKQRLJSA-N 1 3 239.363 0.713 10 0 BCAEHO CCC[C@H](N)C(=O)NCCC[NH+](C)C ZINC000036872926 342912721 /nfs/dbraw/zinc/91/27/21/342912721.db2.gz PKSKGUGUKPSRSW-VIFPVBQESA-N 1 3 201.314 0.182 10 0 BCAEHO C[C@H]([NH3+])CC(=O)N1CCN2CCC[C@@H]2C1 ZINC000037812651 398334476 /nfs/dbraw/zinc/33/44/76/398334476.db2.gz CAWYNTUZRKEPGG-VHSXEESVSA-N 1 3 211.309 0.030 10 0 BCAEHO C[C@H](CNC(=O)C1CCC([NH3+])CC1)N(C)C ZINC000038089223 398335949 /nfs/dbraw/zinc/33/59/49/398335949.db2.gz LSWJDLNXASQXCD-KPPDAEKUSA-N 1 3 227.352 0.570 10 0 BCAEHO CC[NH+](CC)[C@@H](C)CNC(=O)C(C)(C)N ZINC000379945376 343658598 /nfs/dbraw/zinc/65/85/98/343658598.db2.gz CVTKPEXINVZFRN-VIFPVBQESA-N 1 3 215.341 0.570 10 0 BCAEHO C[C@@H](CNC(=O)[C@]12CCC[C@H]1C[NH2+]C2)N(C)C ZINC000634766033 344277638 /nfs/dbraw/zinc/27/76/38/344277638.db2.gz OVKOUAMEFLKLQT-GVXVVHGQSA-N 1 3 239.363 0.442 10 0 BCAEHO CCN(C(=O)[C@H](C)N)[C@H]1CCC[NH2+]CC1 ZINC000381268997 344478837 /nfs/dbraw/zinc/47/88/37/344478837.db2.gz UYXAOEJNICHJSO-UWVGGRQHSA-N 1 3 213.325 0.324 10 0 BCAEHO CN1CCC(NC(=O)[C@H]2CCC[NH2+]C2)CC1 ZINC000037267601 344496945 /nfs/dbraw/zinc/49/69/45/344496945.db2.gz JYRUSPZIWKGJTC-JTQLQIEISA-N 1 3 225.336 0.196 10 0 BCAEHO CCC[C@H](N)C(=O)NC[C@H]1CC[N@H+](CC)C1 ZINC000037484144 344508944 /nfs/dbraw/zinc/50/89/44/344508944.db2.gz LIBPAYKIQVGIIL-MNOVXSKESA-N 1 3 227.352 0.572 10 0 BCAEHO CCC[C@H](N)C(=O)NC[C@H]1CC[N@@H+](CC)C1 ZINC000037484144 344508945 /nfs/dbraw/zinc/50/89/45/344508945.db2.gz LIBPAYKIQVGIIL-MNOVXSKESA-N 1 3 227.352 0.572 10 0 BCAEHO C(N1CCN2CCCC[C@@H]2C1)C12CC(C1)C[NH2+]2 ZINC000634992108 345179862 /nfs/dbraw/zinc/17/98/62/345179862.db2.gz DLCYSHHHAJDZTJ-ROKHWSDSSA-N 1 3 235.375 0.909 10 0 BCAEHO CCN1CCC[C@H](NC(=O)[C@H]2CC[NH2+]C2)C1 ZINC000245405577 345226198 /nfs/dbraw/zinc/22/61/98/345226198.db2.gz UETQVLXZCHWPDN-QWRGUYRKSA-N 1 3 225.336 0.196 10 0 BCAEHO CCN1CCC[C@@H]1CN(C)C(=O)[C@H](C)C[NH2+]C ZINC000245442177 345228020 /nfs/dbraw/zinc/22/80/20/345228020.db2.gz WBLLQMVUMVYPCV-VXGBXAGGSA-N 1 3 241.379 0.785 10 0 BCAEHO C[C@@H]1C[N@H+](CC[C@@H]2CCOC2)C[C@@H]1CN ZINC000634998789 345199123 /nfs/dbraw/zinc/19/91/23/345199123.db2.gz LCBVMCIILISRRL-UTUOFQBUSA-N 1 3 212.337 0.940 10 0 BCAEHO C[C@@H]1C[N@@H+](CC[C@@H]2CCOC2)C[C@@H]1CN ZINC000634998789 345199125 /nfs/dbraw/zinc/19/91/25/345199125.db2.gz LCBVMCIILISRRL-UTUOFQBUSA-N 1 3 212.337 0.940 10 0 BCAEHO COc1nccnc1CN[C@H]1CC[C@H]([NH3+])CC1 ZINC000257350817 345773019 /nfs/dbraw/zinc/77/30/19/345773019.db2.gz AJWMABQRVUGXOA-MGCOHNPYSA-N 1 3 236.319 0.845 10 0 BCAEHO CCC[C@H](N)C(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000309505097 347088983 /nfs/dbraw/zinc/08/89/83/347088983.db2.gz VSCKOODZICHKNF-ONGXEEELSA-N 1 3 213.325 0.311 10 0 BCAEHO c1c([C@H]2CCCN2)nnn1C[C@H]1CCC[NH2+]1 ZINC000725241169 537977380 /nfs/dbraw/zinc/97/73/80/537977380.db2.gz ARXOVRIIOAPXTJ-NXEZZACHSA-N 1 3 221.308 0.455 10 0 BCAEHO CCC[C@@H](N)C(=O)NCC1=CC[NH2+]CC1 ZINC000186367800 346503809 /nfs/dbraw/zinc/50/38/09/346503809.db2.gz VSDKIKUIDNAUKW-SNVBAGLBSA-N 1 3 211.309 0.150 10 0 BCAEHO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)C1(N)CCC1 ZINC000148426296 346501807 /nfs/dbraw/zinc/50/18/07/346501807.db2.gz IPPBSJBGVUBEJX-NSHDSACASA-N 1 3 239.363 0.811 10 0 BCAEHO CC[N@H+]1CCC[C@H]1CN(C)C(=O)C1(N)CCC1 ZINC000148426296 346501808 /nfs/dbraw/zinc/50/18/08/346501808.db2.gz IPPBSJBGVUBEJX-NSHDSACASA-N 1 3 239.363 0.811 10 0 BCAEHO Cc1cccc(OC[C@H](O)CNCCC[NH3+])c1 ZINC000051355955 179171421 /nfs/dbraw/zinc/17/14/21/179171421.db2.gz QTXMDYCVBVSMMB-GFCCVEGCSA-N 1 3 238.331 0.673 10 0 BCAEHO C[C@@H]1C[NH2+]C[C@H]1C(=O)N[C@H]1CCN(C)[C@H](C)C1 ZINC000300522803 347197090 /nfs/dbraw/zinc/19/70/90/347197090.db2.gz OXQFWAQTUDMMPG-WISYIIOYSA-N 1 3 239.363 0.441 10 0 BCAEHO [NH3+][C@@H]1C[C@H]2CN(Cc3ccccc3)CCN2C1 ZINC000250636560 362814858 /nfs/dbraw/zinc/81/48/58/362814858.db2.gz AIAVGVUKMQGAHP-KGLIPLIRSA-N 1 3 231.343 0.904 10 0 BCAEHO COC[C@](C)(O)CN[C@H]1CCC[NH2+]CC1 ZINC000382560170 347359928 /nfs/dbraw/zinc/35/99/28/347359928.db2.gz LIADPVLHUMLAAL-WDEREUQCSA-N 1 3 216.325 0.116 10 0 BCAEHO C[C@H](NC1CC1)C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000383213316 347967398 /nfs/dbraw/zinc/96/73/98/347967398.db2.gz ZIZHWLSYOZRTMN-ONGXEEELSA-N 1 3 225.336 0.289 10 0 BCAEHO O=C(CNC1CC1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000037812646 490168742 /nfs/dbraw/zinc/16/87/42/490168742.db2.gz SNYPRRDQTHTGEO-NSHDSACASA-N 1 3 223.320 0.045 10 0 BCAEHO O=C(CNC1CC1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000037812646 490168747 /nfs/dbraw/zinc/16/87/47/490168747.db2.gz SNYPRRDQTHTGEO-NSHDSACASA-N 1 3 223.320 0.045 10 0 BCAEHO CCC[NH+]1CCC(NC(=O)[C@@H](C)NC)CC1 ZINC000054076229 348878746 /nfs/dbraw/zinc/87/87/46/348878746.db2.gz WJHNXHMTMQIXIX-SNVBAGLBSA-N 1 3 227.352 0.585 10 0 BCAEHO C[NH2+][C@H](C)C(=O)NCCN1CCC(C)CC1 ZINC000054076103 348878776 /nfs/dbraw/zinc/87/87/76/348878776.db2.gz DWZXVGSVBCZHNO-LLVKDONJSA-N 1 3 227.352 0.442 10 0 BCAEHO CCCN(CCN(C)C)C(=O)[C@@H](C)[NH2+]C ZINC000054076847 348880353 /nfs/dbraw/zinc/88/03/53/348880353.db2.gz YNXZMHGBOKDAPV-SNVBAGLBSA-N 1 3 215.341 0.395 10 0 BCAEHO CN1CCCN(C(=O)C[C@H]2CCC[NH2+]C2)CC1 ZINC000054290587 348962179 /nfs/dbraw/zinc/96/21/79/348962179.db2.gz VKEPHJCOLKUUKH-GFCCVEGCSA-N 1 3 239.363 0.540 10 0 BCAEHO CCN1CCC[C@H](NC(=O)[C@H]2CC[NH2+][C@@H]2C)C1 ZINC000252601562 349206603 /nfs/dbraw/zinc/20/66/03/349206603.db2.gz MLNYZCKXIBMOAV-WOPDTQHZSA-N 1 3 239.363 0.585 10 0 BCAEHO CN1CCC[C@H](NC(=O)[C@H]2CC[C@@H]([NH3+])C2)C1 ZINC000250644945 490253293 /nfs/dbraw/zinc/25/32/93/490253293.db2.gz VANYUSSQEWOQAW-AXFHLTTASA-N 1 3 225.336 0.324 10 0 BCAEHO [NH3+]CC1(C(=O)Nc2ccnn2C2CNC2)CCC1 ZINC000725258443 538075288 /nfs/dbraw/zinc/07/52/88/538075288.db2.gz PIRCQNWYWJVLNV-UHFFFAOYSA-N 1 3 249.318 0.095 10 0 BCAEHO CC[C@@H]([NH3+])CC(=O)Nc1ccnn1C1CNC1 ZINC000725258665 538076551 /nfs/dbraw/zinc/07/65/51/538076551.db2.gz WRVGGHBQCDIOFZ-MRVPVSSYSA-N 1 3 237.307 0.093 10 0 BCAEHO C[NH+](C)[C@@H]1CCN(C(=O)[C@@H](N)CC(F)F)C1 ZINC000309370847 350354932 /nfs/dbraw/zinc/35/49/32/350354932.db2.gz BDAJJTWVJUJHTK-SFYZADRCSA-N 1 3 235.278 0.131 10 0 BCAEHO C[NH+](C)[C@@H]1CCN(C(=O)[C@H](N)CC(F)F)C1 ZINC000309370831 350355039 /nfs/dbraw/zinc/35/50/39/350355039.db2.gz BDAJJTWVJUJHTK-HTQZYQBOSA-N 1 3 235.278 0.131 10 0 BCAEHO Cc1nn(C)c(N(C)CCC[NH+](C)C)c1CN ZINC000104448497 180351976 /nfs/dbraw/zinc/35/19/76/180351976.db2.gz SJBYCGUOAZLBLV-UHFFFAOYSA-N 1 3 239.367 0.575 10 0 BCAEHO C[C@@H]1CN(c2cc3c(nn2)CCN(C)C3)CC[NH2+]1 ZINC000725264880 538092811 /nfs/dbraw/zinc/09/28/11/538092811.db2.gz PULVDQQICBZNSO-SNVBAGLBSA-N 1 3 247.346 0.263 10 0 BCAEHO Cc1nn(CCN(C)C)c(C)c1CCC[NH3+] ZINC000020397188 180387733 /nfs/dbraw/zinc/38/77/33/180387733.db2.gz ZVZGSVGBZHIFKX-UHFFFAOYSA-N 1 3 224.352 0.953 10 0 BCAEHO CCC[C@@H](N)C(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000309505095 350679318 /nfs/dbraw/zinc/67/93/18/350679318.db2.gz VSCKOODZICHKNF-MWLCHTKSSA-N 1 3 213.325 0.311 10 0 BCAEHO CCC[C@@H](N)C(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000309505093 350679995 /nfs/dbraw/zinc/67/99/95/350679995.db2.gz VSCKOODZICHKNF-KOLCDFICSA-N 1 3 213.325 0.311 10 0 BCAEHO C[C@]1(CO)CCC[N@@H+]1C[C@@H]1CCCNC1 ZINC000309514413 350694547 /nfs/dbraw/zinc/69/45/47/350694547.db2.gz QTPJVDGGFMXYLC-VXGBXAGGSA-N 1 3 212.337 0.833 10 0 BCAEHO C[C@]1(CO)CCC[N@H+]1C[C@@H]1CCCNC1 ZINC000309514413 350694548 /nfs/dbraw/zinc/69/45/48/350694548.db2.gz QTPJVDGGFMXYLC-VXGBXAGGSA-N 1 3 212.337 0.833 10 0 BCAEHO [NH3+]CCN1CCN[C@@H](c2ccccc2CCO)C1 ZINC000616604223 350792764 /nfs/dbraw/zinc/79/27/64/350792764.db2.gz WGYSQDFFMTWRPE-CQSZACIVSA-N 1 3 249.358 0.126 10 0 BCAEHO C[C@@H]1SCC[N@H+](C[C@@H](O)CN)[C@H]1C ZINC000253075636 350918593 /nfs/dbraw/zinc/91/85/93/350918593.db2.gz QPAZHGXTIRVRKB-CIUDSAMLSA-N 1 3 204.339 0.132 10 0 BCAEHO C[C@@H]1SCC[N@@H+](C[C@@H](O)CN)[C@H]1C ZINC000253075636 350918598 /nfs/dbraw/zinc/91/85/98/350918598.db2.gz QPAZHGXTIRVRKB-CIUDSAMLSA-N 1 3 204.339 0.132 10 0 BCAEHO CC(C)[N@H+](C)[C@@H]1CC2(CC[C@H]1N)OCCO2 ZINC000250508585 350882024 /nfs/dbraw/zinc/88/20/24/350882024.db2.gz ODRXWHTZVQFKTP-GHMZBOCLSA-N 1 3 228.336 0.950 10 0 BCAEHO CC(C)[N@@H+](C)[C@@H]1CC2(CC[C@H]1N)OCCO2 ZINC000250508585 350882025 /nfs/dbraw/zinc/88/20/25/350882025.db2.gz ODRXWHTZVQFKTP-GHMZBOCLSA-N 1 3 228.336 0.950 10 0 BCAEHO [NH3+]CCN1CCN[C@H](c2ccc(F)cc2)C1 ZINC000616633952 351115887 /nfs/dbraw/zinc/11/58/87/351115887.db2.gz HWPSGQRGUHGNSW-LBPRGKRZSA-N 1 3 223.295 0.731 10 0 BCAEHO CNc1ccccc1[C@@H]1CN(CC[NH3+])CCN1 ZINC000616634082 351116191 /nfs/dbraw/zinc/11/61/91/351116191.db2.gz LICGZMXTVCBHGK-ZDUSSCGKSA-N 1 3 234.347 0.633 10 0 BCAEHO COc1ccc([C@@H]2CN(CC[NH3+])CCN2)cc1 ZINC000616634229 351117160 /nfs/dbraw/zinc/11/71/60/351117160.db2.gz NRCCBPDYRBNYSK-ZDUSSCGKSA-N 1 3 235.331 0.600 10 0 BCAEHO [NH3+]CCN1CCN[C@@H](c2ccc(CO)cc2)C1 ZINC000616658235 351197338 /nfs/dbraw/zinc/19/73/38/351197338.db2.gz YYJZOZYQLZOHBD-CYBMUJFWSA-N 1 3 235.331 0.084 10 0 BCAEHO C[C@H](C[NH3+])CNCCNC(=O)OC(C)(C)C ZINC000307234857 351703838 /nfs/dbraw/zinc/70/38/38/351703838.db2.gz FJBWCEHPGGXEHN-SECBINFHSA-N 1 3 231.340 0.696 10 0 BCAEHO C[C@H](CN)C[NH2+]CCNC(=O)OC(C)(C)C ZINC000307234857 351703842 /nfs/dbraw/zinc/70/38/42/351703842.db2.gz FJBWCEHPGGXEHN-SECBINFHSA-N 1 3 231.340 0.696 10 0 BCAEHO CC(C)CC[C@@H](N)C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000638277523 352112317 /nfs/dbraw/zinc/11/23/17/352112317.db2.gz ZPUDCRYQESTYDL-NWDGAFQWSA-N 1 3 241.379 0.912 10 0 BCAEHO CN(C)[C@@H]1CCN(C(=O)CCC2C[NH2+]C2)C1 ZINC000638277482 352112338 /nfs/dbraw/zinc/11/23/38/352112338.db2.gz ZKHYWPGRYQXQOO-LLVKDONJSA-N 1 3 225.336 0.149 10 0 BCAEHO COC(=O)CCN[C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000405201301 352115596 /nfs/dbraw/zinc/11/55/96/352115596.db2.gz CVOFPCWRBQFJSD-HTQZYQBOSA-N 1 3 200.282 0.265 10 0 BCAEHO COC(=O)CC[NH2+][C@@H]1C[C@@H](N)C1(C)C ZINC000405201301 352115600 /nfs/dbraw/zinc/11/56/00/352115600.db2.gz CVOFPCWRBQFJSD-HTQZYQBOSA-N 1 3 200.282 0.265 10 0 BCAEHO C[C@H](O)[C@H](C)N1CCC[C@@H](C)[C@H]1C[NH3+] ZINC000252115586 363124059 /nfs/dbraw/zinc/12/40/59/363124059.db2.gz IMFDRVVYKIDLQV-VPOLOUISSA-N 1 3 200.326 0.815 10 0 BCAEHO CCC[C@H](N)C(=O)NCC1CC[NH+](C)CC1 ZINC000044526673 352654980 /nfs/dbraw/zinc/65/49/80/352654980.db2.gz NBONRFBRLMQJIQ-NSHDSACASA-N 1 3 227.352 0.572 10 0 BCAEHO NCC[N@@H+]1CCC[C@H](C2OCCO2)C1 ZINC000307723604 353111617 /nfs/dbraw/zinc/11/16/17/353111617.db2.gz VPDWMGGEISBEMB-VIFPVBQESA-N 1 3 200.282 0.030 10 0 BCAEHO NCC[N@H+]1CCC[C@H](C2OCCO2)C1 ZINC000307723604 353111620 /nfs/dbraw/zinc/11/16/20/353111620.db2.gz VPDWMGGEISBEMB-VIFPVBQESA-N 1 3 200.282 0.030 10 0 BCAEHO [NH3+]CCOCCN1CCN2CCCC[C@@H]2C1 ZINC000227379419 188155533 /nfs/dbraw/zinc/15/55/33/188155533.db2.gz GTQDXXJQGIMVOX-GFCCVEGCSA-N 1 3 227.352 0.132 10 0 BCAEHO CCC[C@H](CC)NC[C@H]1C[NH2+]C[C@H]1O ZINC000336650976 188163324 /nfs/dbraw/zinc/16/33/24/188163324.db2.gz RSTDMBXKIRQKLB-OUAUKWLOSA-N 1 3 200.326 0.735 10 0 BCAEHO CCC[C@H](CC)[NH2+]C[C@H]1CNC[C@H]1O ZINC000336650976 188163326 /nfs/dbraw/zinc/16/33/26/188163326.db2.gz RSTDMBXKIRQKLB-OUAUKWLOSA-N 1 3 200.326 0.735 10 0 BCAEHO CC(C)N(C)CC(=O)N[C@H]1CCC[NH2+][C@@H]1C ZINC000193640712 188175600 /nfs/dbraw/zinc/17/56/00/188175600.db2.gz CVDXLALQVIQIDS-MNOVXSKESA-N 1 3 227.352 0.583 10 0 BCAEHO CC(C)C[C@H](C[NH+](C)C)NC(=O)C(C)(C)N ZINC000040921097 188215976 /nfs/dbraw/zinc/21/59/76/188215976.db2.gz SZLDNJYPXOEWTA-SNVBAGLBSA-N 1 3 229.368 0.816 10 0 BCAEHO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C1(N)CCC1 ZINC000251770784 353288242 /nfs/dbraw/zinc/28/82/42/353288242.db2.gz MKDZYPXIWPSGCL-MNOVXSKESA-N 1 3 237.347 0.563 10 0 BCAEHO C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)C1(N)CCC1 ZINC000251770784 353288246 /nfs/dbraw/zinc/28/82/46/353288246.db2.gz MKDZYPXIWPSGCL-MNOVXSKESA-N 1 3 237.347 0.563 10 0 BCAEHO CCC[C@@H](N)C(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000165320033 353299399 /nfs/dbraw/zinc/29/93/99/353299399.db2.gz QYJXSVYPDDOODI-VXGBXAGGSA-N 1 3 241.379 0.914 10 0 BCAEHO CCC[C@@H](N)C(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000165320033 353299400 /nfs/dbraw/zinc/29/94/00/353299400.db2.gz QYJXSVYPDDOODI-VXGBXAGGSA-N 1 3 241.379 0.914 10 0 BCAEHO COC(=O)CCN1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000252863427 353312853 /nfs/dbraw/zinc/31/28/53/353312853.db2.gz OQFVVOWRINPWNE-GARJFASQSA-N 1 3 226.320 0.609 10 0 BCAEHO CCN1CCC(NC(=O)[C@H]2CC[NH2+]C2)CC1 ZINC000062115492 353551824 /nfs/dbraw/zinc/55/18/24/353551824.db2.gz JZBNVMCBQNKZPN-JTQLQIEISA-N 1 3 225.336 0.196 10 0 BCAEHO C[C@H]([NH3+])[C@@H](CO)N1C[C@H](C)C[C@H](C)C1 ZINC000224817649 363442562 /nfs/dbraw/zinc/44/25/62/363442562.db2.gz OIJPSJNQQURUCU-ZRUFSTJUSA-N 1 3 200.326 0.672 10 0 BCAEHO NC(=O)CC1CC[NH+]([C@H]2CCCC[C@@H]2N)CC1 ZINC000042438608 181220164 /nfs/dbraw/zinc/22/01/64/181220164.db2.gz NSRVSEUKXSBQSG-RYUDHWBXSA-N 1 3 239.363 0.844 10 0 BCAEHO NC(=O)CCCN1[C@@H]2CC[C@H]1CC([NH3+])C2 ZINC000054628309 181221568 /nfs/dbraw/zinc/22/15/68/181221568.db2.gz ASKWTQQOANPOTK-PBINXNQUSA-N 1 3 211.309 0.206 10 0 BCAEHO NC(=O)CCC[N@H+]1[C@@H]2CC[C@H]1CC(N)C2 ZINC000054628309 181221572 /nfs/dbraw/zinc/22/15/72/181221572.db2.gz ASKWTQQOANPOTK-PBINXNQUSA-N 1 3 211.309 0.206 10 0 BCAEHO NC(=O)CCC[N@@H+]1[C@@H]2CC[C@H]1CC(N)C2 ZINC000054628309 181221574 /nfs/dbraw/zinc/22/15/74/181221574.db2.gz ASKWTQQOANPOTK-PBINXNQUSA-N 1 3 211.309 0.206 10 0 BCAEHO O[C@H]1C[NH2+]C[C@@H]1CNc1ccnc2ccccc21 ZINC000420256635 192188916 /nfs/dbraw/zinc/18/89/16/192188916.db2.gz VJHKTFDMBIYCQU-YGRLFVJLSA-N 1 3 243.310 0.649 10 0 BCAEHO O[C@@H]1C[NH2+]C[C@H]1CNc1ccnc2ccccc21 ZINC000420256633 192189419 /nfs/dbraw/zinc/18/94/19/192189419.db2.gz VJHKTFDMBIYCQU-IINYFYTJSA-N 1 3 243.310 0.649 10 0 BCAEHO NC(=O)[C@@H]1CCCN(C[C@@H]2CCC[NH2+]C2)C1 ZINC000221111317 181269859 /nfs/dbraw/zinc/26/98/59/181269859.db2.gz WHNZKQHFXFTDPB-GHMZBOCLSA-N 1 3 225.336 0.183 10 0 BCAEHO NC(=O)[C@@H]1CCC[N@H+](C[C@@H]2CCCNC2)C1 ZINC000221111317 181269861 /nfs/dbraw/zinc/26/98/61/181269861.db2.gz WHNZKQHFXFTDPB-GHMZBOCLSA-N 1 3 225.336 0.183 10 0 BCAEHO NC(=O)[C@@H]1CCC[N@@H+](C[C@@H]2CCCNC2)C1 ZINC000221111317 181269862 /nfs/dbraw/zinc/26/98/62/181269862.db2.gz WHNZKQHFXFTDPB-GHMZBOCLSA-N 1 3 225.336 0.183 10 0 BCAEHO CC(C)(C)OC(=O)C1CCCN(CC[NH3+])C1=O ZINC000675055993 538476763 /nfs/dbraw/zinc/47/67/63/538476763.db2.gz HFAMZRKMJIQRJQ-VIFPVBQESA-N 1 3 242.319 0.525 10 0 BCAEHO COC(=O)[C@]12C[C@@]1(C[NH2+]C(C)C)CNC2 ZINC000675074110 538506842 /nfs/dbraw/zinc/50/68/42/538506842.db2.gz RLUMYXPRHRXUPF-WDEREUQCSA-N 1 3 212.293 0.137 10 0 BCAEHO COC(=O)[C@]12C[C@@]1(CNC(C)C)C[NH2+]C2 ZINC000675074110 538506843 /nfs/dbraw/zinc/50/68/43/538506843.db2.gz RLUMYXPRHRXUPF-WDEREUQCSA-N 1 3 212.293 0.137 10 0 BCAEHO Nc1cc[nH+]cc1-c1cnn2c1CNCC2 ZINC000675076026 538510380 /nfs/dbraw/zinc/51/03/80/538510380.db2.gz IVWZTBXDUZUSOR-UHFFFAOYSA-N 1 3 215.260 0.461 10 0 BCAEHO C[C@@H]1NC(=O)CC[C@@H]1N[C@H]1CCC[C@H]([NH3+])C1 ZINC000392901076 357263229 /nfs/dbraw/zinc/26/32/29/357263229.db2.gz SNFGYNCMSLAROA-NAKRPEOUSA-N 1 3 225.336 0.513 10 0 BCAEHO C[C@@H]1NC(=O)CC[C@@H]1N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000392901075 357263798 /nfs/dbraw/zinc/26/37/98/357263798.db2.gz SNFGYNCMSLAROA-MMWGEVLESA-N 1 3 225.336 0.513 10 0 BCAEHO CN(CC(C)(C)O)[C@H]1CCC[NH2+]CC1 ZINC000160718984 357320100 /nfs/dbraw/zinc/32/01/00/357320100.db2.gz TURUVBQBKUCQFM-JTQLQIEISA-N 1 3 200.326 0.831 10 0 BCAEHO C[N@H+](CC(C)(C)O)[C@H]1CCCNCC1 ZINC000160718984 357320103 /nfs/dbraw/zinc/32/01/03/357320103.db2.gz TURUVBQBKUCQFM-JTQLQIEISA-N 1 3 200.326 0.831 10 0 BCAEHO C[N@@H+](CC(C)(C)O)[C@H]1CCCNCC1 ZINC000160718984 357320108 /nfs/dbraw/zinc/32/01/08/357320108.db2.gz TURUVBQBKUCQFM-JTQLQIEISA-N 1 3 200.326 0.831 10 0 BCAEHO c1ncn(CCN[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)n1 ZINC000394295462 357351429 /nfs/dbraw/zinc/35/14/29/357351429.db2.gz PHYAWPHEJWOIGH-JHJVBQTASA-N 1 3 249.362 0.788 10 0 BCAEHO CC[C@@H](C)[N@H+](C)CCNC(=O)[C@@H](C)NC ZINC000220086675 358024039 /nfs/dbraw/zinc/02/40/39/358024039.db2.gz ZELRULRALFHVTO-NXEZZACHSA-N 1 3 215.341 0.441 10 0 BCAEHO CC[C@@H](C)[N@@H+](C)CCNC(=O)[C@@H](C)NC ZINC000220086675 358024043 /nfs/dbraw/zinc/02/40/43/358024043.db2.gz ZELRULRALFHVTO-NXEZZACHSA-N 1 3 215.341 0.441 10 0 BCAEHO COCCN(C)CCN[C@H]1CCC[NH2+]CC1 ZINC000168749138 134247631 /nfs/dbraw/zinc/24/76/31/134247631.db2.gz GOFUWXQOZZUCOD-LBPRGKRZSA-N 1 3 229.368 0.296 10 0 BCAEHO C[C@@H]1C[NH2+]C[C@H]1C(=O)N1CC[C@@H](N(C)C)C1 ZINC000223926849 358228216 /nfs/dbraw/zinc/22/82/16/358228216.db2.gz OLZJVBMKSJCCQQ-GMTAPVOTSA-N 1 3 225.336 0.004 10 0 BCAEHO CCC[C@@H](N)C(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000044538922 358390101 /nfs/dbraw/zinc/39/01/01/358390101.db2.gz BEPOJIBMASMKHK-WDEREUQCSA-N 1 3 227.352 0.572 10 0 BCAEHO CCC[C@@H](N)C(=O)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000044538922 358390102 /nfs/dbraw/zinc/39/01/02/358390102.db2.gz BEPOJIBMASMKHK-WDEREUQCSA-N 1 3 227.352 0.572 10 0 BCAEHO CC[C@](C)([C@@H](C)[NH3+])N1CC[C@@](C)(O)C1 ZINC000306151215 358914959 /nfs/dbraw/zinc/91/49/59/358914959.db2.gz HFFIDVKMOVUOAE-GMTAPVOTSA-N 1 3 200.326 0.959 10 0 BCAEHO C[C@@H]1CN(C[C@](C)(O)C[NH3+])C[C@H](C)S1 ZINC000306213436 359307305 /nfs/dbraw/zinc/30/73/05/359307305.db2.gz WWPXKMNWLRRXHJ-KXUCPTDWSA-N 1 3 218.366 0.522 10 0 BCAEHO C[C@@H]1C[N@@H+](C[C@](C)(O)CN)C[C@H](C)S1 ZINC000306213436 359307310 /nfs/dbraw/zinc/30/73/10/359307310.db2.gz WWPXKMNWLRRXHJ-KXUCPTDWSA-N 1 3 218.366 0.522 10 0 BCAEHO C[C@@H]1C[N@H+](C[C@](C)(O)CN)C[C@H](C)S1 ZINC000306213436 359307314 /nfs/dbraw/zinc/30/73/14/359307314.db2.gz WWPXKMNWLRRXHJ-KXUCPTDWSA-N 1 3 218.366 0.522 10 0 BCAEHO C[C@H](N)C(C)(C)C[N@@H+]1C[C@H](O)C[C@H]1C ZINC000306518234 360345652 /nfs/dbraw/zinc/34/56/52/360345652.db2.gz GVAZJHSQPOFVEV-KXUCPTDWSA-N 1 3 200.326 0.815 10 0 BCAEHO C[C@H](N)C(C)(C)C[N@H+]1C[C@H](O)C[C@H]1C ZINC000306518234 360345656 /nfs/dbraw/zinc/34/56/56/360345656.db2.gz GVAZJHSQPOFVEV-KXUCPTDWSA-N 1 3 200.326 0.815 10 0 BCAEHO C[C@H]([NH3+])C(C)(C)CN1C[C@H](O)C[C@H]1C ZINC000306518234 360345660 /nfs/dbraw/zinc/34/56/60/360345660.db2.gz GVAZJHSQPOFVEV-KXUCPTDWSA-N 1 3 200.326 0.815 10 0 BCAEHO C[C@@H]1C[NH+](C[C@H](O)CN)C[C@@H](C)S1 ZINC000069908431 361001255 /nfs/dbraw/zinc/00/12/55/361001255.db2.gz SEHDKMXCHCXOED-IWSPIJDZSA-N 1 3 204.339 0.132 10 0 BCAEHO CN1CCOC[C@@H]1CN[C@@H]1CCC[NH2+]CC1 ZINC000629532777 361154373 /nfs/dbraw/zinc/15/43/73/361154373.db2.gz RRBMUXGYYPFYFK-NEPJUHHUSA-N 1 3 227.352 0.049 10 0 BCAEHO NCC1(C[N@@H+]2CCC[C@H]2CO)CCCC1 ZINC000051254870 181359167 /nfs/dbraw/zinc/35/91/67/181359167.db2.gz MDRFDPOJXCGRIC-NSHDSACASA-N 1 3 212.337 0.962 10 0 BCAEHO NCC1(C[N@H+]2CCC[C@H]2CO)CCCC1 ZINC000051254870 181359169 /nfs/dbraw/zinc/35/91/69/181359169.db2.gz MDRFDPOJXCGRIC-NSHDSACASA-N 1 3 212.337 0.962 10 0 BCAEHO CC(C)N(C)CC(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000170864404 364544136 /nfs/dbraw/zinc/54/41/36/364544136.db2.gz XEGFFZAZSXAJOE-LLVKDONJSA-N 1 3 227.352 0.489 10 0 BCAEHO [NH3+]CCCN1CCC2(CC1)OCCO2 ZINC000082638754 181379749 /nfs/dbraw/zinc/37/97/49/181379749.db2.gz OLJHCXUFDATAQF-UHFFFAOYSA-N 1 3 200.282 0.174 10 0 BCAEHO [NH3+]CCCN1CCCN(Cc2cccnc2)CC1 ZINC000037038101 181380772 /nfs/dbraw/zinc/38/07/72/181380772.db2.gz NGXLQXNAFDIEEF-UHFFFAOYSA-N 1 3 248.374 0.938 10 0 BCAEHO [NH3+]CCCNC[C@H]1COc2ccccc2O1 ZINC000039170071 181383543 /nfs/dbraw/zinc/38/35/43/181383543.db2.gz KGRXRCFWLTYCBO-JTQLQIEISA-N 1 3 222.288 0.765 10 0 BCAEHO CO[C@H](C)CN[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000580946577 367212743 /nfs/dbraw/zinc/21/27/43/367212743.db2.gz QDZBCHBVKJRBAG-VWYCJHECSA-N 1 3 200.326 0.999 10 0 BCAEHO CC[N@H+](C)C[C@@H](O)CN1CCC[C@H]1CCCO ZINC000383569417 367640748 /nfs/dbraw/zinc/64/07/48/367640748.db2.gz JTPVAIXGQUAZNP-QWHCGFSZSA-N 1 3 244.379 0.536 10 0 BCAEHO CC[N@@H+](C)C[C@@H](O)CN1CCC[C@H]1CCCO ZINC000383569417 367640753 /nfs/dbraw/zinc/64/07/53/367640753.db2.gz JTPVAIXGQUAZNP-QWHCGFSZSA-N 1 3 244.379 0.536 10 0 BCAEHO CN(C)[C@@H]1CCCN(C(=O)[C@@]2(C)CCC[NH2+]2)C1 ZINC000091392101 369010677 /nfs/dbraw/zinc/01/06/77/369010677.db2.gz NYSVIBSXTYSENB-DGCLKSJQSA-N 1 3 239.363 0.681 10 0 BCAEHO O[C@@H]1COCC[C@@H]1N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000623766633 369029699 /nfs/dbraw/zinc/02/96/99/369029699.db2.gz JLUAMZFODFUSIP-ZDEQEGDKSA-N 1 3 240.347 0.353 10 0 BCAEHO O[C@@H]1COCC[C@@H]1N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000623766633 369029705 /nfs/dbraw/zinc/02/97/05/369029705.db2.gz JLUAMZFODFUSIP-ZDEQEGDKSA-N 1 3 240.347 0.353 10 0 BCAEHO Cc1cnn(CCN2C[C@@H](C[NH3+])[C@H](C)C2)c1 ZINC000631838664 369120054 /nfs/dbraw/zinc/12/00/54/369120054.db2.gz SKXJRDRUHUSHPI-VXGBXAGGSA-N 1 3 222.336 0.718 10 0 BCAEHO CN(C)C[C@@H]1CCCCN1C(=O)[C@@H]1CC[NH2+]C1 ZINC000404938137 369439819 /nfs/dbraw/zinc/43/98/19/369439819.db2.gz DBZFSGUVQIQLDQ-NEPJUHHUSA-N 1 3 239.363 0.539 10 0 BCAEHO C[C@@H]1C[N@@H+](C[C@@H](O)CN)C[C@H](C)S1 ZINC000226669231 371719998 /nfs/dbraw/zinc/71/99/98/371719998.db2.gz SEHDKMXCHCXOED-YIZRAAEISA-N 1 3 204.339 0.132 10 0 BCAEHO C[C@@H]1C[N@H+](C[C@@H](O)CN)C[C@H](C)S1 ZINC000226669231 371720004 /nfs/dbraw/zinc/72/00/04/371720004.db2.gz SEHDKMXCHCXOED-YIZRAAEISA-N 1 3 204.339 0.132 10 0 BCAEHO COCC[C@H](C)[N@@H+]1C[C@H](C)[C@H](CN)C1 ZINC000631839220 372634388 /nfs/dbraw/zinc/63/43/88/372634388.db2.gz BZTCCDBVFMCMRV-GARJFASQSA-N 1 3 200.326 0.938 10 0 BCAEHO COCC[C@H](C)[N@H+]1C[C@H](C)[C@H](CN)C1 ZINC000631839220 372634392 /nfs/dbraw/zinc/63/43/92/372634392.db2.gz BZTCCDBVFMCMRV-GARJFASQSA-N 1 3 200.326 0.938 10 0 BCAEHO O=C(C[C@@H]1CCC[NH2+]C1)N1CCCNCC1 ZINC000054306105 182019142 /nfs/dbraw/zinc/01/91/42/182019142.db2.gz MKVSFKJOWHFXIF-NSHDSACASA-N 1 3 225.336 0.198 10 0 BCAEHO CCNC(=O)CCN1CCC[C@H](C[NH3+])C1 ZINC000051760038 170051280 /nfs/dbraw/zinc/05/12/80/170051280.db2.gz BNTINYVNEFYBGM-SNVBAGLBSA-N 1 3 213.325 0.183 10 0 BCAEHO CCCCOCCOC[C@@H](O)CNCCC[NH3+] ZINC000051356098 168904682 /nfs/dbraw/zinc/90/46/82/168904682.db2.gz MTVRQDRKDGWQHN-LBPRGKRZSA-N 1 3 248.367 0.119 10 0 BCAEHO OC[C@@H]1CC[N@H+](CCCN2CCCC2)C1 ZINC000049474430 183122508 /nfs/dbraw/zinc/12/25/08/183122508.db2.gz AIEATRLNESKNPB-GFCCVEGCSA-N 1 3 212.337 0.787 10 0 BCAEHO OC[C@@H]1CC[N@@H+](CCCN2CCCC2)C1 ZINC000049474430 183122510 /nfs/dbraw/zinc/12/25/10/183122510.db2.gz AIEATRLNESKNPB-GFCCVEGCSA-N 1 3 212.337 0.787 10 0 BCAEHO OC[C@]1([N@@H+]2CCCNCC2)CCCSC1 ZINC000061590874 183159725 /nfs/dbraw/zinc/15/97/25/183159725.db2.gz RGXLWTJVIPLPGQ-LLVKDONJSA-N 1 3 230.377 0.540 10 0 BCAEHO OC[C@]1([N@H+]2CCCNCC2)CCCSC1 ZINC000061590874 183159727 /nfs/dbraw/zinc/15/97/27/183159727.db2.gz RGXLWTJVIPLPGQ-LLVKDONJSA-N 1 3 230.377 0.540 10 0 BCAEHO CCCN(CC[NH2+]CCN(C)C)CCN(C)C ZINC000053436172 169158891 /nfs/dbraw/zinc/15/88/91/169158891.db2.gz YQKNXKKARLENOZ-UHFFFAOYSA-N 1 3 244.427 0.411 10 0 BCAEHO CCCN1CCN(C[C@@H]2CC[NH2+]C2)CC1 ZINC000051889286 169202811 /nfs/dbraw/zinc/20/28/11/169202811.db2.gz XWTNTLKOHWWCAG-GFCCVEGCSA-N 1 3 211.353 0.624 10 0 BCAEHO CCCN1CCN([C@@H](C[NH3+])[C@H]2CCOC2)CC1 ZINC000022209513 169203257 /nfs/dbraw/zinc/20/32/57/169203257.db2.gz LNBZJGRJVQYTPR-STQMWFEESA-N 1 3 241.379 0.378 10 0 BCAEHO c1cc(NCCN2CC[NH2+]CC2)ccn1 ZINC000036278976 183357623 /nfs/dbraw/zinc/35/76/23/183357623.db2.gz LWJDLBADPFHTRQ-UHFFFAOYSA-N 1 3 206.293 0.399 10 0 BCAEHO CCC[NH2+]C1C[C@H]2CC[C@@H](C1)N2CCC(N)=O ZINC000054628143 169255185 /nfs/dbraw/zinc/25/51/85/169255185.db2.gz LPBITALZNCPYCP-YOGCLGLASA-N 1 3 239.363 0.857 10 0 BCAEHO CCCNC[C@H](O)C[N@H+](CCOC)CC(C)C ZINC000042368652 169263135 /nfs/dbraw/zinc/26/31/35/169263135.db2.gz JZLDUUIOIIOWOC-ZDUSSCGKSA-N 1 3 246.395 0.951 10 0 BCAEHO CCCNC[C@H](O)C[N@@H+](CCOC)CC(C)C ZINC000042368652 169263137 /nfs/dbraw/zinc/26/31/37/169263137.db2.gz JZLDUUIOIIOWOC-ZDUSSCGKSA-N 1 3 246.395 0.951 10 0 BCAEHO CCC[NH2+]C[C@H](O)CN(C)CC1CCOCC1 ZINC000104194831 169263337 /nfs/dbraw/zinc/26/33/37/169263337.db2.gz IUIPJSZNDZGPSB-ZDUSSCGKSA-N 1 3 244.379 0.705 10 0 BCAEHO CCCNC[C@H](O)C[N@H+](C)CC1CCOCC1 ZINC000104194831 169263340 /nfs/dbraw/zinc/26/33/40/169263340.db2.gz IUIPJSZNDZGPSB-ZDUSSCGKSA-N 1 3 244.379 0.705 10 0 BCAEHO CCCNC[C@H](O)C[N@@H+](C)CC1CCOCC1 ZINC000104194831 169263342 /nfs/dbraw/zinc/26/33/42/169263342.db2.gz IUIPJSZNDZGPSB-ZDUSSCGKSA-N 1 3 244.379 0.705 10 0 BCAEHO CCC[C@@H](N)C(=O)N(C)CC1CC[NH+](C)CC1 ZINC000063124217 169387123 /nfs/dbraw/zinc/38/71/23/169387123.db2.gz QDAROEGSVZTCQY-GFCCVEGCSA-N 1 3 241.379 0.914 10 0 BCAEHO CCC[C@@H](N)C(=O)NC[C@H](C)[NH+](CC)CC ZINC000236958234 169389457 /nfs/dbraw/zinc/38/94/57/169389457.db2.gz LRWYLELEYHSSTD-WDEREUQCSA-N 1 3 229.368 0.960 10 0 BCAEHO CCC[C@@H](N)C(=O)NCC[N@H+](C)C(C)C ZINC000054133643 169389346 /nfs/dbraw/zinc/38/93/46/169389346.db2.gz UUYWYCUYTQQMEN-SNVBAGLBSA-N 1 3 215.341 0.570 10 0 BCAEHO CCC[C@@H](N)C(=O)NCC[N@@H+](C)C(C)C ZINC000054133643 169389347 /nfs/dbraw/zinc/38/93/47/169389347.db2.gz UUYWYCUYTQQMEN-SNVBAGLBSA-N 1 3 215.341 0.570 10 0 BCAEHO CC[C@H](C)[C@@H](N)C(=O)N(C)[C@@H]1CC[NH2+]C1 ZINC000179107652 134317636 /nfs/dbraw/zinc/31/76/36/134317636.db2.gz VCRPGQDGARYNCS-IVZWLZJFSA-N 1 3 213.325 0.180 10 0 BCAEHO CC[C@@H](C)[C@H](N)C(=O)NCC[NH2+]C(C)(C)C ZINC000236927062 170794369 /nfs/dbraw/zinc/79/43/69/170794369.db2.gz KFWNEKDHTQIJCW-ZJUUUORDSA-N 1 3 229.368 0.864 10 0 BCAEHO CCC[C@H](N)C(=O)N1CCC([C@@H](C)[NH3+])CC1 ZINC000178407534 384170585 /nfs/dbraw/zinc/17/05/85/384170585.db2.gz RXGQNAIGIXXXDW-KOLCDFICSA-N 1 3 227.352 0.700 10 0 BCAEHO COC(=O)CCN1CC[C@H]([C@H](C)[NH3+])C1 ZINC000132379670 384185060 /nfs/dbraw/zinc/18/50/60/384185060.db2.gz LEQVYWQQKMCVNZ-IUCAKERBSA-N 1 3 200.282 0.219 10 0 BCAEHO O=C(CNCC1CC[NH2+]CC1)c1ccccn1 ZINC000095072818 384346243 /nfs/dbraw/zinc/34/62/43/384346243.db2.gz XXXSBFLEAUWTBS-UHFFFAOYSA-N 1 3 233.315 0.854 10 0 BCAEHO C[NH2+]CCCN(C)CC1(O)CCOCC1 ZINC000167208468 384355864 /nfs/dbraw/zinc/35/58/64/384355864.db2.gz BJCWDOZDHAAMNT-UHFFFAOYSA-N 1 3 216.325 0.069 10 0 BCAEHO C[C@H](N)C(=O)N1CCC2(C1)CCC([NH3+])CC2 ZINC000095088836 384361375 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384764463 /nfs/dbraw/zinc/76/44/63/384764463.db2.gz SLWOVJPURIINBS-QWRGUYRKSA-N 1 3 228.336 0.856 10 0 BCAEHO COC(=O)CCN1C[C@@H](C[NH3+])C[C@@H]1C ZINC000126916701 384829171 /nfs/dbraw/zinc/82/91/71/384829171.db2.gz MKLMWHYCKQSZJE-DTWKUNHWSA-N 1 3 200.282 0.219 10 0 BCAEHO CON1CCC([N@H+](C)C[C@@H]2CCCNC2)CC1 ZINC000566229932 384952912 /nfs/dbraw/zinc/95/29/12/384952912.db2.gz URXWYEAILNDPTL-GFCCVEGCSA-N 1 3 241.379 0.944 10 0 BCAEHO CON1CCC([N@@H+](C)C[C@@H]2CCCNC2)CC1 ZINC000566229932 384952920 /nfs/dbraw/zinc/95/29/20/384952920.db2.gz URXWYEAILNDPTL-GFCCVEGCSA-N 1 3 241.379 0.944 10 0 BCAEHO CON1CCC(N(C)C[C@@H]2CCC[NH2+]C2)CC1 ZINC000566229932 384952926 /nfs/dbraw/zinc/95/29/26/384952926.db2.gz URXWYEAILNDPTL-GFCCVEGCSA-N 1 3 241.379 0.944 10 0 BCAEHO CCN(CCNC(=O)[C@H]1CC[C@@H]([NH3+])C1)C1CC1 ZINC000226397454 385009159 /nfs/dbraw/zinc/00/91/59/385009159.db2.gz YQUGFYNPDLLFBD-WDEREUQCSA-N 1 3 239.363 0.714 10 0 BCAEHO CC[C@H](N)C(=O)N1CC[C@H]([NH3+])C(C)(C)C1 ZINC000309427904 385052485 /nfs/dbraw/zinc/05/24/85/385052485.db2.gz KOFTVSGSWKPOAV-IUCAKERBSA-N 1 3 213.325 0.310 10 0 BCAEHO CCC[C@H](N)C(=O)NCC[NH2+]C(C)(C)C ZINC000182267461 385435415 /nfs/dbraw/zinc/43/54/15/385435415.db2.gz WHUSCTOTOAPLDB-VIFPVBQESA-N 1 3 215.341 0.618 10 0 BCAEHO CN(C)[C@@H]1CCN(C(=O)[C@@]2(C)CC[NH2+]C2)C1 ZINC000062972093 134463407 /nfs/dbraw/zinc/46/34/07/134463407.db2.gz AACNKRFNAPDOPY-PWSUYJOCSA-N 1 3 225.336 0.149 10 0 BCAEHO CN(C)CCNC(=O)[C@@H]1CCC[C@H]([NH3+])C1 ZINC000055086002 385705004 /nfs/dbraw/zinc/70/50/04/385705004.db2.gz KEISXPWVGJZPDE-ZJUUUORDSA-N 1 3 213.325 0.182 10 0 BCAEHO CN(C)[C@@H]1CCN(C(=O)C[C@H]2CCC[NH2+]C2)C1 ZINC000062972389 385777968 /nfs/dbraw/zinc/77/79/68/385777968.db2.gz FKUCWYAIPALOHO-VXGBXAGGSA-N 1 3 239.363 0.539 10 0 BCAEHO C[NH+](C)[C@H]1CCN(C(=O)C(N)C(F)(F)F)C1 ZINC000335053491 385952250 /nfs/dbraw/zinc/95/22/50/385952250.db2.gz XKLAVGRCGOPSJW-NKWVEPMBSA-N 1 3 239.241 0.039 10 0 BCAEHO [NH3+][C@H]1CC[C@H](C(=O)NCCN2CCCCC2)C1 ZINC000091546020 386299323 /nfs/dbraw/zinc/29/93/23/386299323.db2.gz KIXRQVAFBXJEPT-RYUDHWBXSA-N 1 3 239.363 0.716 10 0 BCAEHO CN(C)C[C@H]1CCCN1C(=O)[C@H]1CCC[NH2+]C1 ZINC000061645022 386476216 /nfs/dbraw/zinc/47/62/16/386476216.db2.gz CLKRLHOOUJPSSF-NWDGAFQWSA-N 1 3 239.363 0.539 10 0 BCAEHO [NH3+][C@H]1CC[C@H](C(=O)N2CCN3CCC2CC3)C1 ZINC000335463696 386548478 /nfs/dbraw/zinc/54/84/78/386548478.db2.gz NIEFICXZNYBSAZ-QWRGUYRKSA-N 1 3 237.347 0.420 10 0 BCAEHO CN1CCN(C[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC000575419655 387028987 /nfs/dbraw/zinc/02/89/87/387028987.db2.gz HKDHLZPPCBQMHR-HAQNSBGRSA-N 1 3 211.353 0.751 10 0 BCAEHO CN(C)[C@H]1CCN(C(=O)[C@H]2[NH2+]CC2(C)C)C1 ZINC000645923653 388008949 /nfs/dbraw/zinc/00/89/49/388008949.db2.gz MESCPEAZKVNRSY-VHSXEESVSA-N 1 3 225.336 0.147 10 0 BCAEHO C[C@H](O)[C@@H]1CC[N@H+](C[C@@H]2CCCNC2)C1 ZINC000166162351 388254517 /nfs/dbraw/zinc/25/45/17/388254517.db2.gz CIEBQBLPCMQONQ-QJPTWQEYSA-N 1 3 212.337 0.689 10 0 BCAEHO C[C@H](O)[C@@H]1CC[N@@H+](C[C@@H]2CCCNC2)C1 ZINC000166162351 388254519 /nfs/dbraw/zinc/25/45/19/388254519.db2.gz CIEBQBLPCMQONQ-QJPTWQEYSA-N 1 3 212.337 0.689 10 0 BCAEHO C[C@H](O)[C@@H]1CCN(C[C@@H]2CCC[NH2+]C2)C1 ZINC000166162351 388254521 /nfs/dbraw/zinc/25/45/21/388254521.db2.gz CIEBQBLPCMQONQ-QJPTWQEYSA-N 1 3 212.337 0.689 10 0 BCAEHO O[C@@H]1C[NH2+]C[C@@H]1CN[C@@H]1CCCSC1 ZINC000261528543 135154611 /nfs/dbraw/zinc/15/46/11/135154611.db2.gz QYPKOILLFGISIH-OPRDCNLKSA-N 1 3 216.350 0.052 10 0 BCAEHO C[C@@]1(C(=O)N2CCN3CCC[C@@H]3C2)CCC[NH2+]1 ZINC000079517449 388538528 /nfs/dbraw/zinc/53/85/28/388538528.db2.gz PSIFQVKECNDDPM-YPMHNXCESA-N 1 3 237.347 0.435 10 0 BCAEHO CC(C)(CCO)[NH2+]C[C@H]1CCCNC1 ZINC000220389439 388604582 /nfs/dbraw/zinc/60/45/82/388604582.db2.gz NZQVYUZIKRBNDK-JTQLQIEISA-N 1 3 200.326 0.737 10 0 BCAEHO CC(C)(CCO)NC[C@H]1CCC[NH2+]C1 ZINC000220389439 388604585 /nfs/dbraw/zinc/60/45/85/388604585.db2.gz NZQVYUZIKRBNDK-JTQLQIEISA-N 1 3 200.326 0.737 10 0 BCAEHO CC(C)C[C@H](CN(C)C)NC(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000565032739 388909462 /nfs/dbraw/zinc/90/94/62/388909462.db2.gz HCAFVGYRTZNIIU-GRYCIOLGSA-N 1 3 241.379 0.816 10 0 BCAEHO C[C@@H](NCCN1CC=CCC1)[C@@H]1CC[NH2+]C1 ZINC000400464280 533393586 /nfs/dbraw/zinc/39/35/86/533393586.db2.gz SLRYDIYLQXXCGW-CHWSQXEVSA-N 1 3 223.364 0.836 10 0 BCAEHO Cc1ccc(N2C(=[NH2+])NC(=N)N[C@@H]2C)cc1 ZINC000013476271 132293177 /nfs/dbraw/zinc/29/31/77/132293177.db2.gz VKYOSIISWISQAN-QMMMGPOBSA-N 1 3 217.276 0.790 10 0 BCAEHO C[C@@H]1C[C@H](NC(=O)[C@H]2CCC[C@@H]2[NH3+])CCN1C ZINC000252175894 135085326 /nfs/dbraw/zinc/08/53/26/135085326.db2.gz RZJIMMLDNPRCAC-WYUUTHIRSA-N 1 3 239.363 0.713 10 0 BCAEHO CC1(C)[C@H](O)C[C@@H]1N[C@H]1CCC[NH2+]CC1 ZINC000253087194 135120096 /nfs/dbraw/zinc/12/00/96/135120096.db2.gz ALZFWWPZLYVQRG-GARJFASQSA-N 1 3 212.337 0.878 10 0 BCAEHO COC(=O)CCN1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000253183477 135123316 /nfs/dbraw/zinc/12/33/16/135123316.db2.gz GNXUJJRGRMOLOV-NXEZZACHSA-N 1 3 214.309 0.466 10 0 BCAEHO CC1(C)CN(C[C@@H]2CCC[NH2+]C2)C[C@H]1O ZINC000261545438 135147856 /nfs/dbraw/zinc/14/78/56/135147856.db2.gz JZOBFWKSMRUWJX-GHMZBOCLSA-N 1 3 212.337 0.689 10 0 BCAEHO CC1(C)C[N@H+](C[C@@H]2CCCNC2)C[C@H]1O ZINC000261545438 135147857 /nfs/dbraw/zinc/14/78/57/135147857.db2.gz JZOBFWKSMRUWJX-GHMZBOCLSA-N 1 3 212.337 0.689 10 0 BCAEHO CC1(C)C[N@@H+](C[C@@H]2CCCNC2)C[C@H]1O ZINC000261545438 135147858 /nfs/dbraw/zinc/14/78/58/135147858.db2.gz JZOBFWKSMRUWJX-GHMZBOCLSA-N 1 3 212.337 0.689 10 0 BCAEHO C[C@@H]1CC[N@H+](C[C@H]2CCCNC2)[C@H]1CO ZINC000261531167 135160140 /nfs/dbraw/zinc/16/01/40/135160140.db2.gz FLNGXDWUDTUUPW-WOPDTQHZSA-N 1 3 212.337 0.689 10 0 BCAEHO C[C@@H]1CC[N@@H+](C[C@H]2CCCNC2)[C@H]1CO ZINC000261531167 135160142 /nfs/dbraw/zinc/16/01/42/135160142.db2.gz FLNGXDWUDTUUPW-WOPDTQHZSA-N 1 3 212.337 0.689 10 0 BCAEHO OCC[C@@H]1CCC[N@@H+]1C[C@@H]1CCCNC1 ZINC000261531679 135160498 /nfs/dbraw/zinc/16/04/98/135160498.db2.gz HMANIGICZFCQKF-NEPJUHHUSA-N 1 3 212.337 0.833 10 0 BCAEHO OCC[C@@H]1CCC[N@H+]1C[C@@H]1CCCNC1 ZINC000261531679 135160499 /nfs/dbraw/zinc/16/04/99/135160499.db2.gz HMANIGICZFCQKF-NEPJUHHUSA-N 1 3 212.337 0.833 10 0 BCAEHO OCC[C@H]1CCC[N@@H+]1C[C@@H]1CCCNC1 ZINC000261531682 135160924 /nfs/dbraw/zinc/16/09/24/135160924.db2.gz HMANIGICZFCQKF-VXGBXAGGSA-N 1 3 212.337 0.833 10 0 BCAEHO OCC[C@H]1CCC[N@H+]1C[C@@H]1CCCNC1 ZINC000261531682 135160925 /nfs/dbraw/zinc/16/09/25/135160925.db2.gz HMANIGICZFCQKF-VXGBXAGGSA-N 1 3 212.337 0.833 10 0 BCAEHO OC[C@@H]1C[C@@H](F)CN1CC1CC[NH2+]CC1 ZINC000261542062 135182788 /nfs/dbraw/zinc/18/27/88/135182788.db2.gz GLUUTHWRLKSJGJ-MNOVXSKESA-N 1 3 216.300 0.391 10 0 BCAEHO CN1CCCN(C(=O)CC[C@H]2CCC[NH2+]2)CC1 ZINC000261544059 135185488 /nfs/dbraw/zinc/18/54/88/135185488.db2.gz DNYXMTAJWHBGDA-GFCCVEGCSA-N 1 3 239.363 0.683 10 0 BCAEHO O[C@H]1C[NH2+]C[C@@H]1CNCC1CCCCC1 ZINC000261544800 135185844 /nfs/dbraw/zinc/18/58/44/135185844.db2.gz JCNMDUAWZGKIHN-RYUDHWBXSA-N 1 3 212.337 0.737 10 0 BCAEHO O[C@H]1CNC[C@@H]1C[NH2+]CC1CCCCC1 ZINC000261544800 135185846 /nfs/dbraw/zinc/18/58/46/135185846.db2.gz JCNMDUAWZGKIHN-RYUDHWBXSA-N 1 3 212.337 0.737 10 0 BCAEHO O[C@H]1C[NH2+]C[C@H]1CNCC1CCCCC1 ZINC000261544798 135186080 /nfs/dbraw/zinc/18/60/80/135186080.db2.gz JCNMDUAWZGKIHN-NEPJUHHUSA-N 1 3 212.337 0.737 10 0 BCAEHO O[C@H]1CNC[C@H]1C[NH2+]CC1CCCCC1 ZINC000261544798 135186081 /nfs/dbraw/zinc/18/60/81/135186081.db2.gz JCNMDUAWZGKIHN-NEPJUHHUSA-N 1 3 212.337 0.737 10 0 BCAEHO O[C@@H]1C[NH2+]C[C@@H]1CNCC1CCCCC1 ZINC000261544799 135186221 /nfs/dbraw/zinc/18/62/21/135186221.db2.gz JCNMDUAWZGKIHN-NWDGAFQWSA-N 1 3 212.337 0.737 10 0 BCAEHO O[C@@H]1CNC[C@@H]1C[NH2+]CC1CCCCC1 ZINC000261544799 135186222 /nfs/dbraw/zinc/18/62/22/135186222.db2.gz JCNMDUAWZGKIHN-NWDGAFQWSA-N 1 3 212.337 0.737 10 0 BCAEHO CCC[C@H](N)C(=O)N[C@@H](C[NH3+])CC(C)C ZINC000261556273 135196199 /nfs/dbraw/zinc/19/61/99/135196199.db2.gz VWXZLMCUEHGTIN-ZJUUUORDSA-N 1 3 215.341 0.603 10 0 BCAEHO CCN(CC)CC(=O)NC[C@@H](C)[NH2+]C ZINC000261557273 135197631 /nfs/dbraw/zinc/19/76/31/135197631.db2.gz XDOQIPKFTQXRAD-SECBINFHSA-N 1 3 201.314 0.052 10 0 BCAEHO CCN(C)CCNC(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000084310662 135207359 /nfs/dbraw/zinc/20/73/59/135207359.db2.gz FUSGKTWKCVFBPD-GHMZBOCLSA-N 1 3 227.352 0.429 10 0 BCAEHO CC(C)(C)[C@H](N)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000261570136 135211808 /nfs/dbraw/zinc/21/18/08/135211808.db2.gz GSDYJLYCGGCYAF-RKDXNWHRSA-N 1 3 213.325 0.213 10 0 BCAEHO CC[C@H](C)[C@H](N)C(=O)N1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261984317 135269890 /nfs/dbraw/zinc/26/98/90/135269890.db2.gz MIVBCYBZJGXZFE-AXFHLTTASA-N 1 3 241.379 0.946 10 0 BCAEHO NC1(C(=O)N[C@@H]2CCC[C@H]2C[NH3+])CCCCC1 ZINC000262431584 135296869 /nfs/dbraw/zinc/29/68/69/135296869.db2.gz JUTXOBGJFIBXOQ-WDEREUQCSA-N 1 3 239.363 0.892 10 0 BCAEHO CC(C)C[C@H](N)C(=O)N[C@@H]1CCC[C@H]1C[NH3+] ZINC000262615737 135308663 /nfs/dbraw/zinc/30/86/63/135308663.db2.gz GQSHZRQGUHLHCF-GARJFASQSA-N 1 3 227.352 0.603 10 0 BCAEHO CC(C)C[C@H](N)C(=O)N[C@H]1CCC[C@H]1C[NH3+] ZINC000262615735 135308996 /nfs/dbraw/zinc/30/89/96/135308996.db2.gz GQSHZRQGUHLHCF-DCAQKATOSA-N 1 3 227.352 0.603 10 0 BCAEHO C[C@H](CNC[C@@H]1C[NH2+]C[C@@H]1O)C(C)(C)C ZINC000381555023 397749159 /nfs/dbraw/zinc/74/91/59/397749159.db2.gz OKGZCEWXBRVKIZ-MXWKQRLJSA-N 1 3 214.353 0.839 10 0 BCAEHO C[C@H](C[NH2+]C[C@@H]1CNC[C@@H]1O)C(C)(C)C ZINC000381555023 397749167 /nfs/dbraw/zinc/74/91/67/397749167.db2.gz OKGZCEWXBRVKIZ-MXWKQRLJSA-N 1 3 214.353 0.839 10 0 BCAEHO CC[C@H]1CN2CCCC[C@H]2CN1CC[NH3+] ZINC000383405768 398018562 /nfs/dbraw/zinc/01/85/62/398018562.db2.gz AGKCUIXWDAOWOX-RYUDHWBXSA-N 1 3 211.353 0.894 10 0 BCAEHO CCC[C@](C)(N)C(=O)NC[C@H](C)[NH2+]C ZINC000389634899 398118469 /nfs/dbraw/zinc/11/84/69/398118469.db2.gz NTBPGTVTNCVDTF-WPRPVWTQSA-N 1 3 201.314 0.228 10 0 BCAEHO c1cn(CCNC[C@H]2CCC[NH2+]C2)cn1 ZINC000087646821 322886276 /nfs/dbraw/zinc/88/62/76/322886276.db2.gz ZHQULPPKEYJWAO-NSHDSACASA-N 1 3 208.309 0.472 10 0 BCAEHO CN(C)[C@@H]1CCN(C(=O)CC2([NH3+])CCC2)C1 ZINC000086853588 487567369 /nfs/dbraw/zinc/56/73/69/487567369.db2.gz QCSIMPSJIPERAS-SNVBAGLBSA-N 1 3 225.336 0.420 10 0 BCAEHO CN[C@H](C)C(=O)NCC[C@@H](C)[NH+](C)C ZINC000662635429 409807074 /nfs/dbraw/zinc/80/70/74/409807074.db2.gz VNJBTFKRRPAMGV-RKDXNWHRSA-N 1 3 201.314 0.051 10 0 BCAEHO CC(C)([NH3+])CCC(=O)N1CCN2CCC[C@@H]2C1 ZINC000070087629 410590010 /nfs/dbraw/zinc/59/00/10/410590010.db2.gz NOEXXXQZQZASFR-LLVKDONJSA-N 1 3 239.363 0.811 10 0 BCAEHO CC(C)(C)N1CC[C@@H](N[C@H]2CC[NH2+]C2)C1 ZINC000665235803 410726885 /nfs/dbraw/zinc/72/68/85/410726885.db2.gz AMLUOQOFPZVOQO-WDEREUQCSA-N 1 3 211.353 0.811 10 0 BCAEHO CC(C)(C)N1CC[C@@H](N[C@@H]2CC[NH2+]C2)C1 ZINC000665235800 410727002 /nfs/dbraw/zinc/72/70/02/410727002.db2.gz AMLUOQOFPZVOQO-GHMZBOCLSA-N 1 3 211.353 0.811 10 0 BCAEHO CC(C)[NH2+]CC1CCN(CC(=O)N(C)C)CC1 ZINC000104410044 167098971 /nfs/dbraw/zinc/09/89/71/167098971.db2.gz ZNJSZMPMWQMMCT-UHFFFAOYSA-N 1 3 241.379 0.785 10 0 BCAEHO CC(C)[C@@H](CN(C)C)NC(=O)C[C@@H]1CCC[NH2+]1 ZINC000049220446 167395186 /nfs/dbraw/zinc/39/51/86/167395186.db2.gz WKNCWIKVCBQXIM-NWDGAFQWSA-N 1 3 241.379 0.831 10 0 BCAEHO CC(C)[C@@H](CN(C)C)N1C[C@@H]([NH3+])CC1=O ZINC000049224564 167395200 /nfs/dbraw/zinc/39/52/00/167395200.db2.gz LAVOUWLTQGTXPB-VHSXEESVSA-N 1 3 213.325 0.132 10 0 BCAEHO CC(C)[C@@H](CN(C)C)NC(=O)[C@@H]1CCCC[NH2+]1 ZINC000049220528 167395473 /nfs/dbraw/zinc/39/54/73/167395473.db2.gz DVPSMNAOZPIMFM-NWDGAFQWSA-N 1 3 241.379 0.831 10 0 BCAEHO CC[C@H](C)[C@H](N)C(=O)NC[C@H]1CC[NH2+]C1 ZINC000309408436 411242363 /nfs/dbraw/zinc/24/23/63/411242363.db2.gz IETOCYCYPJHGPG-GUBZILKMSA-N 1 3 213.325 0.086 10 0 BCAEHO CC(C)[C@@H]([NH3+])CC(=O)NCCN(C)C ZINC000128850778 411248159 /nfs/dbraw/zinc/24/81/59/411248159.db2.gz PLQBFZLTDKVKEN-VIFPVBQESA-N 1 3 201.314 0.038 10 0 BCAEHO CC(C)[C@H]([NH3+])CC(=O)N1CCCNCC1 ZINC000128919934 411189451 /nfs/dbraw/zinc/18/94/51/411189451.db2.gz OTPYJRIAZWPRHV-SNVBAGLBSA-N 1 3 213.325 0.182 10 0 BCAEHO CC(C)[C@H]([NH3+])CC(=O)NC[C@H](C)N(C)C ZINC000128970268 411193766 /nfs/dbraw/zinc/19/37/66/411193766.db2.gz XRJBAWGMOBNYLV-VHSXEESVSA-N 1 3 215.341 0.426 10 0 BCAEHO C[C@H](CC1CCC1)NC[C@H]1C[NH2+]C[C@H]1O ZINC000310002528 411194592 /nfs/dbraw/zinc/19/45/92/411194592.db2.gz FIOPWGJPLQXIMS-YUSALJHKSA-N 1 3 212.337 0.735 10 0 BCAEHO C[C@H](CC1CCC1)[NH2+]C[C@H]1CNC[C@H]1O ZINC000310002528 411194594 /nfs/dbraw/zinc/19/45/94/411194594.db2.gz FIOPWGJPLQXIMS-YUSALJHKSA-N 1 3 212.337 0.735 10 0 BCAEHO CC[C@H](C)[C@H](N)C(=O)NC[C@@H]1CC[NH2+]C1 ZINC000309408435 411241590 /nfs/dbraw/zinc/24/15/90/411241590.db2.gz IETOCYCYPJHGPG-AEJSXWLSSA-N 1 3 213.325 0.086 10 0 BCAEHO CN(C)[C@H]1CCN(C(=O)C2CCC([NH3+])CC2)C1 ZINC000062972160 411334349 /nfs/dbraw/zinc/33/43/49/411334349.db2.gz JTHBLLNNPCLMHP-MCIGGMRASA-N 1 3 239.363 0.666 10 0 BCAEHO CN(C)[C@@H]1CCN(C(=O)C2CCC([NH3+])CC2)C1 ZINC000062972159 411335113 /nfs/dbraw/zinc/33/51/13/411335113.db2.gz JTHBLLNNPCLMHP-HTAVTVPLSA-N 1 3 239.363 0.666 10 0 BCAEHO CC[C@H](C)[C@@H](N)C(=O)NCCC[NH2+]C ZINC000121567216 411413461 /nfs/dbraw/zinc/41/34/61/411413461.db2.gz JDEVCILUNZKCID-DTWKUNHWSA-N 1 3 201.314 0.086 10 0 BCAEHO CCN1CC[C@H](C[NH2+]C[C@H](O)COC(C)C)C1 ZINC000037893953 170015844 /nfs/dbraw/zinc/01/58/44/170015844.db2.gz MGINAPIMVYWCBG-OLZOCXBDSA-N 1 3 244.379 0.704 10 0 BCAEHO CC[N@@H+]1CC[C@H](CNC[C@H](O)COC(C)C)C1 ZINC000037893953 170015845 /nfs/dbraw/zinc/01/58/45/170015845.db2.gz MGINAPIMVYWCBG-OLZOCXBDSA-N 1 3 244.379 0.704 10 0 BCAEHO CC[N@H+]1CC[C@H](CNC[C@H](O)COC(C)C)C1 ZINC000037893953 170015847 /nfs/dbraw/zinc/01/58/47/170015847.db2.gz MGINAPIMVYWCBG-OLZOCXBDSA-N 1 3 244.379 0.704 10 0 BCAEHO CCNC(=O)[C@@H](C)[NH2+][C@@H](C)[C@@H]1CCCN(C)C1 ZINC000036794712 170088447 /nfs/dbraw/zinc/08/84/47/170088447.db2.gz CLGLQNBIMAWYHA-QJPTWQEYSA-N 1 3 241.379 0.831 10 0 BCAEHO CCNC(=O)[C@@H](C)[NH2+]C[C@H]1CCN(C2CC2)C1 ZINC000037904906 170088522 /nfs/dbraw/zinc/08/85/22/170088522.db2.gz AOKWZMJKEHFTRH-GHMZBOCLSA-N 1 3 239.363 0.585 10 0 BCAEHO CCNC(=O)[C@H](C)[NH2+][C@@H](C)[C@@H]1CCCN(C)C1 ZINC000036794713 170095303 /nfs/dbraw/zinc/09/53/03/170095303.db2.gz CLGLQNBIMAWYHA-SDDRHHMPSA-N 1 3 241.379 0.831 10 0 BCAEHO CC[NH2+]C(C)(C)C(=O)N[C@@H](C)CN1CCCC1 ZINC000061299041 170107549 /nfs/dbraw/zinc/10/75/49/170107549.db2.gz YNOFGZNGLYRRHQ-NSHDSACASA-N 1 3 241.379 0.975 10 0 BCAEHO CC[NH2+]C[C@H](C)C(=O)N[C@H](C)CN1CCCC1 ZINC000061267724 170122107 /nfs/dbraw/zinc/12/21/07/170122107.db2.gz JOIJZXHCTBZHNW-NWDGAFQWSA-N 1 3 241.379 0.833 10 0 BCAEHO CCN[C@@H]1CCN([C@H]2CC[N@@H+]3CCC[C@H]23)C1=O ZINC000049660486 170152738 /nfs/dbraw/zinc/15/27/38/170152738.db2.gz DWLLEBLXDUYOHL-UTUOFQBUSA-N 1 3 237.347 0.434 10 0 BCAEHO CCN[C@@H]1CCN([C@H]2CC[N@H+]3CCC[C@H]23)C1=O ZINC000049660486 170152740 /nfs/dbraw/zinc/15/27/40/170152740.db2.gz DWLLEBLXDUYOHL-UTUOFQBUSA-N 1 3 237.347 0.434 10 0 BCAEHO COC[C@H](CCN[C@H](C)[C@H]1CC[NH2+]C1)OC ZINC000665235773 412175144 /nfs/dbraw/zinc/17/51/44/412175144.db2.gz ZRKRYBUZCBIHTG-WOPDTQHZSA-N 1 3 230.352 0.626 10 0 BCAEHO CC[C@@H]([NH2+]C)C(=O)N1CC[C@@H](N(C)C)C1 ZINC000662443175 412176795 /nfs/dbraw/zinc/17/67/95/412176795.db2.gz DRZGCUKSIIUQOX-NXEZZACHSA-N 1 3 213.325 0.147 10 0 BCAEHO C[C@@H](N[C@@H]1CCCC[C@H]1O)[C@H]1CC[NH2+]C1 ZINC000665234902 412174820 /nfs/dbraw/zinc/17/48/20/412174820.db2.gz LWHGJEQWUQDSSM-WRWGMCAJSA-N 1 3 212.337 0.878 10 0 BCAEHO CCN1CCC[C@H](NC(=O)[C@H]2C[C@H]([NH3+])C2)C1 ZINC000662692239 412272882 /nfs/dbraw/zinc/27/28/82/412272882.db2.gz CMCRPYCHMOTGMG-DCAQKATOSA-N 1 3 225.336 0.324 10 0 BCAEHO CN(C)C[C@@H]1CCCN1[C@@H]1CCC[NH2+]C1 ZINC000061644409 172485835 /nfs/dbraw/zinc/48/58/35/172485835.db2.gz ICLYHGPZBXZAEM-NEPJUHHUSA-N 1 3 211.353 0.764 10 0 BCAEHO CN1CCCC[C@H]1CN[C@@H]1CCC[NH2+]C1 ZINC000044560784 173009214 /nfs/dbraw/zinc/00/92/14/173009214.db2.gz KCQSVVHSCMRDNI-NEPJUHHUSA-N 1 3 211.353 0.812 10 0 BCAEHO CN1CCCN(C[C@@H]([NH3+])C(C)(C)C)CC1 ZINC000020260675 173014176 /nfs/dbraw/zinc/01/41/76/173014176.db2.gz YGWIFMXGPCNIKL-LLVKDONJSA-N 1 3 213.369 0.997 10 0 BCAEHO CN1CCCN(C2(C[NH3+])CCOCC2)CC1 ZINC000036304863 173014974 /nfs/dbraw/zinc/01/49/74/173014974.db2.gz IKPCNWBNSYLZTH-UHFFFAOYSA-N 1 3 227.352 0.132 10 0 BCAEHO CN1CCC[N@@H+]([C@](C)(CN)C2CC2)CC1 ZINC000035659510 173015913 /nfs/dbraw/zinc/01/59/13/173015913.db2.gz WIGIRIZXHYBKMM-GFCCVEGCSA-N 1 3 211.353 0.751 10 0 BCAEHO CN1CCC[N@H+]([C@](C)(CN)C2CC2)CC1 ZINC000035659510 173015914 /nfs/dbraw/zinc/01/59/14/173015914.db2.gz WIGIRIZXHYBKMM-GFCCVEGCSA-N 1 3 211.353 0.751 10 0 BCAEHO CN(C(=O)C1CC[NH2+]CC1)[C@H]1CCCN(C)C1 ZINC000053245675 173044604 /nfs/dbraw/zinc/04/46/04/173044604.db2.gz VMASHTYYXCOVKU-LBPRGKRZSA-N 1 3 239.363 0.539 10 0 BCAEHO CN1CCN(C[C@H](O)c2ccc(C[NH3+])cc2)CC1 ZINC000037049791 173084752 /nfs/dbraw/zinc/08/47/52/173084752.db2.gz BDCWPWGFNKPARB-AWEZNQCLSA-N 1 3 249.358 0.426 10 0 BCAEHO CN1CCN(Cc2ccc(CC[NH3+])cc2)CC1 ZINC000070542499 173086611 /nfs/dbraw/zinc/08/66/11/173086611.db2.gz NVGZMFDXKLKGBV-UHFFFAOYSA-N 1 3 233.359 0.935 10 0 BCAEHO CN1CCO[C@H](CN[C@@H]2CCCC[C@@H]2C[NH3+])C1 ZINC000091667704 173109094 /nfs/dbraw/zinc/10/90/94/173109094.db2.gz OXQHSYGMPZISFM-JHJVBQTASA-N 1 3 241.379 0.424 10 0 BCAEHO CN1CCO[C@H](C[NH2+][C@@H]2CCCC[C@@H]2CN)C1 ZINC000091667704 173109097 /nfs/dbraw/zinc/10/90/97/173109097.db2.gz OXQHSYGMPZISFM-JHJVBQTASA-N 1 3 241.379 0.424 10 0 BCAEHO C[N@@H+]1CC[C@@H](CNC[C@@H](O)COC(C)(C)C)C1 ZINC000037894106 173115438 /nfs/dbraw/zinc/11/54/38/173115438.db2.gz DYDAWUGIQFYDRI-NWDGAFQWSA-N 1 3 244.379 0.704 10 0 BCAEHO C[N@H+]1CC[C@@H](CNC[C@@H](O)COC(C)(C)C)C1 ZINC000037894106 173115439 /nfs/dbraw/zinc/11/54/39/173115439.db2.gz DYDAWUGIQFYDRI-NWDGAFQWSA-N 1 3 244.379 0.704 10 0 BCAEHO CN1CC[C@@](CN)([N@@H+]2CCCSCC2)C1 ZINC000061990440 173136583 /nfs/dbraw/zinc/13/65/83/173136583.db2.gz QFVROMAWOHBRFE-NSHDSACASA-N 1 3 229.393 0.458 10 0 BCAEHO CN1CC[C@@](CN)([N@H+]2CCCSCC2)C1 ZINC000061990440 173136585 /nfs/dbraw/zinc/13/65/85/173136585.db2.gz QFVROMAWOHBRFE-NSHDSACASA-N 1 3 229.393 0.458 10 0 BCAEHO C[N@@H+]1CC[C@@](CN)(N2CCOC(C)(C)C2)C1 ZINC000061990310 173137025 /nfs/dbraw/zinc/13/70/25/173137025.db2.gz SXJMLHRJTMUZEP-LBPRGKRZSA-N 1 3 227.352 0.130 10 0 BCAEHO C[N@H+]1CC[C@@](CN)(N2CCOC(C)(C)C2)C1 ZINC000061990310 173137027 /nfs/dbraw/zinc/13/70/27/173137027.db2.gz SXJMLHRJTMUZEP-LBPRGKRZSA-N 1 3 227.352 0.130 10 0 BCAEHO CNC(C)(C)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000061300862 173318501 /nfs/dbraw/zinc/31/85/01/173318501.db2.gz GXWSLIRNPYJSFU-GHMZBOCLSA-N 1 3 239.363 0.727 10 0 BCAEHO CNC(C)(C)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000061300862 173318502 /nfs/dbraw/zinc/31/85/02/173318502.db2.gz GXWSLIRNPYJSFU-GHMZBOCLSA-N 1 3 239.363 0.727 10 0 BCAEHO C[NH2+]C(C)(C)C(=O)N[C@H]1CCN2CCC[C@H]12 ZINC000061300605 173318560 /nfs/dbraw/zinc/31/85/60/173318560.db2.gz IGXFZZFEGZZMIX-VHSXEESVSA-N 1 3 225.336 0.337 10 0 BCAEHO C[NH2+]C1C[C@H]2CC[C@@H](C1)N2CCC(=O)N(C)C ZINC000054629036 173324372 /nfs/dbraw/zinc/32/43/72/173324372.db2.gz 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HOKKFRVKVDBDIS-CPCZMJQVSA-N 1 3 242.363 0.600 10 0 BCAEHO COCCC[N@H+](C)CCCC[C@](C)(N)C(N)=O ZINC000062034968 174215856 /nfs/dbraw/zinc/21/58/56/174215856.db2.gz ZNTHUKZEYAMXKQ-LBPRGKRZSA-N 1 3 245.367 0.328 10 0 BCAEHO COCCC[N@@H+](C)CCCC[C@](C)(N)C(N)=O ZINC000062034968 174215857 /nfs/dbraw/zinc/21/58/57/174215857.db2.gz ZNTHUKZEYAMXKQ-LBPRGKRZSA-N 1 3 245.367 0.328 10 0 BCAEHO C[C@@H]1CCC[C@@H](C(=O)NCCN(C)C)[NH2+]1 ZINC000019440250 176112304 /nfs/dbraw/zinc/11/23/04/176112304.db2.gz LTFPAMJTHOHLRH-ZJUUUORDSA-N 1 3 213.325 0.195 10 0 BCAEHO C[C@H](CNC(=O)[C@@H]1CC[C@@H](C)[C@@H]([NH3+])C1)N(C)C ZINC000055135843 176195841 /nfs/dbraw/zinc/19/58/41/176195841.db2.gz WJSUOEYXXVEBSA-KKOKHZNYSA-N 1 3 241.379 0.816 10 0 BCAEHO C[C@@H]1CC[C@H](C(=O)NCCN2CCCC2)C[NH2+]1 ZINC000054134666 176220476 /nfs/dbraw/zinc/22/04/76/176220476.db2.gz AZUFJRBUGMYFLB-NEPJUHHUSA-N 1 3 239.363 0.587 10 0 BCAEHO C[C@@H]1CN(CCOC2CC[NH2+]CC2)CCCO1 ZINC000104385495 176292118 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487725003 /nfs/dbraw/zinc/72/50/03/487725003.db2.gz SEOTYRUFRVAICV-NXEZZACHSA-N 1 3 215.341 0.476 10 0 BCAEHO CCN1CCC(NC(=O)C[C@H]([NH3+])C(C)C)CC1 ZINC000136411935 487735277 /nfs/dbraw/zinc/73/52/77/487735277.db2.gz OCFKJJWYGLRQMY-LBPRGKRZSA-N 1 3 241.379 0.960 10 0 BCAEHO C[C@@H](O)C1CCN(C[C@H]2CC[NH2+]C2)CC1 ZINC000226437563 487745281 /nfs/dbraw/zinc/74/52/81/487745281.db2.gz AOJAPSVQXLJBIS-MNOVXSKESA-N 1 3 212.337 0.689 10 0 BCAEHO CC(C)[C@@H]([NH3+])CC(=O)N1CCN2CCC[C@H]2C1 ZINC000251267331 487752004 /nfs/dbraw/zinc/75/20/04/487752004.db2.gz BAYOOJPYOUYMFH-RYUDHWBXSA-N 1 3 239.363 0.666 10 0 BCAEHO CCC[C@@H](N)C(=O)N1CCC([NH2+]C)CC1 ZINC000309507919 323082254 /nfs/dbraw/zinc/08/22/54/323082254.db2.gz WJRNUROTACNXEZ-SNVBAGLBSA-N 1 3 213.325 0.324 10 0 BCAEHO CCC[C@@H]([NH3+])C(=O)N1CCNCC1(C)C ZINC000309494447 487977864 /nfs/dbraw/zinc/97/78/64/487977864.db2.gz SXGQTDCOVPEWJR-SECBINFHSA-N 1 3 213.325 0.324 10 0 BCAEHO CN1CCC[C@H]1CN(C=O)CCC[NH+](C)C ZINC000584659135 488021081 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/nfs/dbraw/zinc/12/19/82/488121982.db2.gz QWNQEDDOBZUUNN-PHIMTYICSA-N 1 3 218.341 0.626 10 0 BCAEHO CCC[C@H]([NH3+])C(=O)N1CCNCC1(C)C ZINC000381330631 487504356 /nfs/dbraw/zinc/50/43/56/487504356.db2.gz SXGQTDCOVPEWJR-VIFPVBQESA-N 1 3 213.325 0.324 10 0 BCAEHO CCC[C@H](N)C(=O)N[C@H]1CCC[C@H]1C[NH3+] ZINC000261555946 535679348 /nfs/dbraw/zinc/67/93/48/535679348.db2.gz VKVGWGNZXCYQPH-GUBZILKMSA-N 1 3 213.325 0.357 10 0 BCAEHO CN1CCC[C@@H]1CNC(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000261533927 536373793 /nfs/dbraw/zinc/37/37/93/536373793.db2.gz LMXPUBXYQKQWEK-HBNTYKKESA-N 1 3 225.336 0.324 10 0 BCAEHO CCC[C@@H](N)C(=O)N[C@](C)(C[NH3+])CC(C)C ZINC000262420177 535348993 /nfs/dbraw/zinc/34/89/93/535348993.db2.gz FGGSWPMIVJYOQJ-PWSUYJOCSA-N 1 3 229.368 0.994 10 0 BCAEHO CCC[C@H](N)C(=O)N[C@@H]1CCC[C@H]1C[NH3+] ZINC000261555950 535678490 /nfs/dbraw/zinc/67/84/90/535678490.db2.gz VKVGWGNZXCYQPH-LPEHRKFASA-N 1 3 213.325 0.357 10 0 BCAEHO CN(C)C[C@H]1CN(C[C@@]2(C)CC[NH2+]C2)CCO1 ZINC000261884121 535969836 /nfs/dbraw/zinc/96/98/36/535969836.db2.gz RNGCDWDQZLIQEW-STQMWFEESA-N 1 3 241.379 0.248 10 0 BCAEHO C[C@H](CC(C)(C)C[NH3+])N1CC[C@H]1C(N)=O ZINC000757143726 582523868 /nfs/dbraw/zinc/52/38/68/582523868.db2.gz HOOJWKBQVVOYAM-BDAKNGLRSA-N 1 3 213.325 0.310 10 0 BCAEHO C1C[NH2+]C[C@H](c2[nH]nc3c2CNCC3)C1 ZINC000757168416 582549411 /nfs/dbraw/zinc/54/94/11/582549411.db2.gz DQKRGGGYNSCPBB-MRVPVSSYSA-N 1 3 206.293 0.522 10 0 BCAEHO C1C[NH2+]C[C@H](c2n[nH]c3c2CNCC3)C1 ZINC000757168416 582549414 /nfs/dbraw/zinc/54/94/14/582549414.db2.gz DQKRGGGYNSCPBB-MRVPVSSYSA-N 1 3 206.293 0.522 10 0 BCAEHO CC1([NH3+])CCC(N2CC[C@H]2C(N)=O)CC1 ZINC000757155972 586430053 /nfs/dbraw/zinc/43/00/53/586430053.db2.gz JNCNUAIHLDUNPM-YUCVTWSNSA-N 1 3 211.309 0.206 10 0 BCAEHO Cn1nncc1[C@H]1CC[C@@H](CC[NH3+])CN1 ZINC000757215087 586440293 /nfs/dbraw/zinc/44/02/93/586440293.db2.gz UPNVGICMHURRHC-DTWKUNHWSA-N 1 3 209.297 0.205 10 0 BCAEHO CCN1CCC[C@@H](NC(=O)C[C@H]([NH3+])C2CC2)C1 ZINC000123884474 589846149 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ZINC000159012892 641661425 /nfs/dbraw/zinc/66/14/25/641661425.db2.gz BLWPAGBMUAVNDH-RYUDHWBXSA-N 1 3 239.363 0.714 10 0 BCAEHO CCN(CC)CC(=O)N[C@@H]1CCC[NH2+][C@H]1C ZINC000193501843 644247704 /nfs/dbraw/zinc/24/77/04/644247704.db2.gz WPNMIOZTSSZVFS-WDEREUQCSA-N 1 3 227.352 0.585 10 0 BCAEHO CCC[C@H](N)C(=O)N[C@H]1CCC[NH2+][C@@H]1C ZINC000193523601 644249378 /nfs/dbraw/zinc/24/93/78/644249378.db2.gz XFAXHGSYCJOJHR-UTLUCORTSA-N 1 3 213.325 0.371 10 0 BCAEHO CC(C)OC[C@H](O)CN1CCCC[C@H]1CC[NH3+] ZINC000250593904 644769807 /nfs/dbraw/zinc/76/98/07/644769807.db2.gz WZTAZBCETYBBNF-QWHCGFSZSA-N 1 3 244.379 0.976 10 0 BCAEHO CC(C)OC[C@H](O)CN1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000253194694 644943838 /nfs/dbraw/zinc/94/38/38/644943838.db2.gz QNBLOKYTRNKZCP-JHJVBQTASA-N 1 3 244.379 0.689 10 0 BCAEHO NC(=O)C1CC(N[C@@H]2C[C@H]([NH3+])C23CCC3)C1 ZINC000716707934 712570375 /nfs/dbraw/zinc/57/03/75/712570375.db2.gz WMWXJFBXIFYCCR-HORUIINNSA-N 1 3 223.320 0.110 10 0 BCAEHO C[C@@H](CNC(=O)[C@H]1CCC[NH2+]1)N1CCCCC1 ZINC000038029418 712800531 /nfs/dbraw/zinc/80/05/31/712800531.db2.gz FTHUADGWMBLXDA-NWDGAFQWSA-N 1 3 239.363 0.729 10 0 BCAEHO CN1CCC[C@H]2[C@H]1CCN2C(=O)[C@H]1CC[NH2+]C1 ZINC000720885189 712874470 /nfs/dbraw/zinc/87/44/70/712874470.db2.gz CWUDJIJBNBSRPB-TUAOUCFPSA-N 1 3 237.347 0.291 10 0 BCAEHO