smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[NH+]1CCC(NC(=O)C[N@H+]2CC[C@H](O)[C@H](CO)C2)CC1 ZINC001421919234 890542331 /nfs/dbraw/zinc/54/23/31/890542331.db2.gz UZMOQQOXKVPRIJ-AAEUAGOBSA-N 2 1 285.388 -1.128 20 0 CAADMP C[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@@H](O)[C@@H](CO)C2)CC1 ZINC001421919237 890542942 /nfs/dbraw/zinc/54/29/42/890542942.db2.gz UZMOQQOXKVPRIJ-DGCLKSJQSA-N 2 1 285.388 -1.128 20 0 CAADMP C[NH+]1CCC(NC(=O)C[N@H+]2CC[C@@H](O)[C@@H](CO)C2)CC1 ZINC001421919237 890542960 /nfs/dbraw/zinc/54/29/60/890542960.db2.gz UZMOQQOXKVPRIJ-DGCLKSJQSA-N 2 1 285.388 -1.128 20 0 CAADMP C[NH+](C)CCC(=O)NC[C@H](O)C[NH2+]Cc1cnon1 ZINC001422346863 890580121 /nfs/dbraw/zinc/58/01/21/890580121.db2.gz LMKUAPJDTDJUKK-SNVBAGLBSA-N 2 1 271.321 -1.412 20 0 CAADMP C[N@H+]1CC[C@@H](CC(=O)NC[C@@H](O)C[NH2+]CC(N)=O)C1 ZINC001422400873 890589035 /nfs/dbraw/zinc/58/90/35/890589035.db2.gz PSZACIDSZALDSO-UWVGGRQHSA-N 2 1 272.349 -2.120 20 0 CAADMP CNC(=O)C[NH2+][C@@H](CO)CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001423297326 890664238 /nfs/dbraw/zinc/66/42/38/890664238.db2.gz OZVDPGHITSKJEP-GHMZBOCLSA-N 2 1 286.376 -1.859 20 0 CAADMP COCC[N@H+](CCO)CCNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001426154139 890854565 /nfs/dbraw/zinc/85/45/65/890854565.db2.gz HHCZTZYWUSQWNC-GFCCVEGCSA-N 2 1 289.376 -1.626 20 0 CAADMP COCC[N@@H+](CCO)CCNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001426154139 890854578 /nfs/dbraw/zinc/85/45/78/890854578.db2.gz HHCZTZYWUSQWNC-GFCCVEGCSA-N 2 1 289.376 -1.626 20 0 CAADMP COCC[NH+](CCO)CCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001426154139 890854590 /nfs/dbraw/zinc/85/45/90/890854590.db2.gz HHCZTZYWUSQWNC-GFCCVEGCSA-N 2 1 289.376 -1.626 20 0 CAADMP COCC[NH+](CCO)CCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001426154139 890854602 /nfs/dbraw/zinc/85/46/02/890854602.db2.gz HHCZTZYWUSQWNC-GFCCVEGCSA-N 2 1 289.376 -1.626 20 0 CAADMP CNC(=O)C[NH2+][C@H](C)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001317228061 884178873 /nfs/dbraw/zinc/17/88/73/884178873.db2.gz DYTYDISRRKQXBZ-ZJUUUORDSA-N 2 1 256.350 -1.079 20 0 CAADMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@H](O)C[NH2+]CCCO ZINC001320204182 884385742 /nfs/dbraw/zinc/38/57/42/884385742.db2.gz OPCQBNQDYJLZIP-GHMZBOCLSA-N 2 1 259.350 -1.470 20 0 CAADMP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@H](O)C[NH2+]CCOC)C1 ZINC001320312206 884413430 /nfs/dbraw/zinc/41/34/30/884413430.db2.gz GUSWWXPLSDCXSL-VXGBXAGGSA-N 2 1 289.376 -1.580 20 0 CAADMP CC[N@H+]1CCO[C@@H](C(=O)NC[C@H](O)C[NH2+]CCOC)C1 ZINC001320312206 884413442 /nfs/dbraw/zinc/41/34/42/884413442.db2.gz GUSWWXPLSDCXSL-VXGBXAGGSA-N 2 1 289.376 -1.580 20 0 CAADMP C[C@@H](CC[NH2+]CCO)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001320375534 884418559 /nfs/dbraw/zinc/41/85/59/884418559.db2.gz JOCPXMGRQNXPIK-QWRGUYRKSA-N 2 1 259.350 -1.206 20 0 CAADMP C[C@@H](CC[NH2+]CCO)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001320375534 884418565 /nfs/dbraw/zinc/41/85/65/884418565.db2.gz JOCPXMGRQNXPIK-QWRGUYRKSA-N 2 1 259.350 -1.206 20 0 CAADMP C[N@H+]1CC[C@@H](CNC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC001326026143 884759607 /nfs/dbraw/zinc/75/96/07/884759607.db2.gz CBCFULCKPFLZDE-QWRGUYRKSA-N 2 1 268.361 -1.078 20 0 CAADMP CC[N@H+]1CCC[C@@H](CNC(=O)CNC(=O)C[NH3+])C1 ZINC001326356506 884787909 /nfs/dbraw/zinc/78/79/09/884787909.db2.gz MUYLIFNEDGGFIP-JTQLQIEISA-N 2 1 256.350 -1.091 20 0 CAADMP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)[C@H]2CSC[NH2+]2)n1 ZINC001329946617 885159763 /nfs/dbraw/zinc/15/97/63/885159763.db2.gz WBTHSIRFZMACKL-SSDOTTSWSA-N 2 1 269.330 -1.080 20 0 CAADMP COCC[NH2+][C@@H](CO)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001331683914 885307292 /nfs/dbraw/zinc/30/72/92/885307292.db2.gz MNBDZXXMAGEBET-GHMZBOCLSA-N 2 1 259.350 -1.206 20 0 CAADMP COC(=O)CCNC(=O)CN1CC[NH2+]CC[NH2+]CC1 ZINC001334339658 885534088 /nfs/dbraw/zinc/53/40/88/885534088.db2.gz XRFPSCFJJXXFEJ-UHFFFAOYSA-N 2 1 272.349 -1.840 20 0 CAADMP NC(=O)[C@@H]1C[N@H+](C[C@H]2C[C@]3(CC[NH2+]C3)CO2)CCO1 ZINC001337824440 885722324 /nfs/dbraw/zinc/72/23/24/885722324.db2.gz NUNYFIJDHJETME-MDZLAQPJSA-N 2 1 269.345 -1.059 20 0 CAADMP NC(=O)[C@@H]1C[N@@H+](C[C@H]2C[C@]3(CC[NH2+]C3)CO2)CCO1 ZINC001337824440 885722334 /nfs/dbraw/zinc/72/23/34/885722334.db2.gz NUNYFIJDHJETME-MDZLAQPJSA-N 2 1 269.345 -1.059 20 0 CAADMP CN1CC[NH+](CCCNC(=O)[C@]2(C)C[C@@H](O)C[NH2+]2)CC1 ZINC001340114766 885792376 /nfs/dbraw/zinc/79/23/76/885792376.db2.gz WSUZEFYPAFHHDY-OCCSQVGLSA-N 2 1 284.404 -1.147 20 0 CAADMP [NH3+]C[C@H](O)CC(=O)NCCCCC[NH+]1CCNCC1 ZINC001341072497 885823878 /nfs/dbraw/zinc/82/38/78/885823878.db2.gz PCWGONCEUIEBAS-GFCCVEGCSA-N 2 1 272.393 -1.112 20 0 CAADMP C[NH2+]C[C@H](O)[C@H](C)C(=O)N1CC[N@H+](C)C[C@H]1CO ZINC001342032735 885867810 /nfs/dbraw/zinc/86/78/10/885867810.db2.gz ASKVGRFEZNORMI-DCAQKATOSA-N 2 1 259.350 -1.662 20 0 CAADMP C[NH2+]C[C@H](O)[C@H](C)C(=O)N1CC[N@@H+](C)C[C@H]1CO ZINC001342032735 885867821 /nfs/dbraw/zinc/86/78/21/885867821.db2.gz ASKVGRFEZNORMI-DCAQKATOSA-N 2 1 259.350 -1.662 20 0 CAADMP C[NH+]1CCN(C(=O)[C@@H]2CCCN(CC[NH3+])C2=O)CC1 ZINC001341732460 885855447 /nfs/dbraw/zinc/85/54/47/885855447.db2.gz KBXBJVJNFMYHQY-LLVKDONJSA-N 2 1 268.361 -1.042 20 0 CAADMP CN1CC[NH2+]C[C@H]1C(=O)Nc1cc2n(n1)CC[NH2+]C2 ZINC001342152595 885876264 /nfs/dbraw/zinc/87/62/64/885876264.db2.gz HRBKEXMFWHLOSE-JTQLQIEISA-N 2 1 264.333 -1.172 20 0 CAADMP CCNC(=O)CN1CC[NH+](CCN2CC[NH2+]CC2)CC1 ZINC001346114491 885984951 /nfs/dbraw/zinc/98/49/51/885984951.db2.gz ZEFHXOBFRVFVKL-UHFFFAOYSA-N 2 1 283.420 -1.355 20 0 CAADMP C[NH2+]C[C@@H](O)[C@@H](C)C(=O)NCC[N@@H+](C)CCOC ZINC001357391674 886403635 /nfs/dbraw/zinc/40/36/35/886403635.db2.gz KZTAOFUVCFWJHU-GHMZBOCLSA-N 2 1 261.366 -1.103 20 0 CAADMP [NH3+][C@H](CO)C(=O)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC001357396616 886407029 /nfs/dbraw/zinc/40/70/29/886407029.db2.gz LIRAUPQZVVZUMH-VWYCJHECSA-N 2 1 257.334 -1.636 20 0 CAADMP C[NH2+]CC(=O)N1CC[NH2+]CCN(C(=O)C[NH2+]C)CC1 ZINC001358183152 886420737 /nfs/dbraw/zinc/42/07/37/886420737.db2.gz KZFKJQQUZXEQJX-UHFFFAOYSA-N 3 1 271.365 -2.314 20 0 CAADMP [NH3+][C@H](CO)C(=O)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC001357396605 886406460 /nfs/dbraw/zinc/40/64/60/886406460.db2.gz LIRAUPQZVVZUMH-GMTAPVOTSA-N 2 1 257.334 -1.636 20 0 CAADMP C[NH2+]C[C@H](O)[C@@H](C)C(=O)N1CCN(C)CC[N@@H+](C)CC1 ZINC001358444734 886428486 /nfs/dbraw/zinc/42/84/86/886428486.db2.gz ONZKETUAYJJXMP-OLZOCXBDSA-N 2 1 286.420 -1.091 20 0 CAADMP C[NH2+]C[C@@H](O)[C@@H](C)C(=O)N1CCN(C)CC[N@@H+](C)CC1 ZINC001358444733 886427022 /nfs/dbraw/zinc/42/70/22/886427022.db2.gz ONZKETUAYJJXMP-CHWSQXEVSA-N 2 1 286.420 -1.091 20 0 CAADMP CCN(CCO)CCNS(=O)(=O)N1CCN(C)CC1 ZINC001364855739 887145710 /nfs/dbraw/zinc/14/57/10/887145710.db2.gz VFNLGHMCZRQQRH-UHFFFAOYSA-N 2 1 294.421 -1.618 20 0 CAADMP CNC(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)C[N@@H+](C)C(C)C ZINC001369490849 887576567 /nfs/dbraw/zinc/57/65/67/887576567.db2.gz QNWVSLXIDGEAQR-LLVKDONJSA-N 2 1 288.392 -1.519 20 0 CAADMP C[N@H+]1CCC[C@H]1C(=O)NC[C@]1(O)CC[NH+](CCO)C1 ZINC001376005730 887896933 /nfs/dbraw/zinc/89/69/33/887896933.db2.gz NUGWXRLRWCFOPF-WCQYABFASA-N 2 1 271.361 -1.374 20 0 CAADMP C[NH+]1CCC[C@H]1C(=O)NC[C@]1(O)CC[N@H+](CCO)C1 ZINC001376005730 887896934 /nfs/dbraw/zinc/89/69/34/887896934.db2.gz NUGWXRLRWCFOPF-WCQYABFASA-N 2 1 271.361 -1.374 20 0 CAADMP C[NH+]1CCC[C@H]1C(=O)NC[C@]1(O)CC[N@@H+](CCO)C1 ZINC001376005730 887896939 /nfs/dbraw/zinc/89/69/39/887896939.db2.gz NUGWXRLRWCFOPF-WCQYABFASA-N 2 1 271.361 -1.374 20 0 CAADMP C[NH+]1CC[C@@H](C(=O)NC[C@@]2(O)CC[N@@H+](CCO)C2)C1 ZINC001376100081 887902879 /nfs/dbraw/zinc/90/28/79/887902879.db2.gz SOJQLBGZWUBYBZ-YPMHNXCESA-N 2 1 271.361 -1.517 20 0 CAADMP C[N@H+]1CC[C@H](C(=O)NC[C@@]2(O)CC[NH+](CCO)C2)C1 ZINC001376100060 887903132 /nfs/dbraw/zinc/90/31/32/887903132.db2.gz SOJQLBGZWUBYBZ-AAEUAGOBSA-N 2 1 271.361 -1.517 20 0 CAADMP C[NH+]1CC[C@H](C(=O)NC[C@@]2(O)CC[N@H+](CCO)C2)C1 ZINC001376100060 887903136 /nfs/dbraw/zinc/90/31/36/887903136.db2.gz SOJQLBGZWUBYBZ-AAEUAGOBSA-N 2 1 271.361 -1.517 20 0 CAADMP C[NH+]1CC[C@H](C(=O)NC[C@@]2(O)CC[N@@H+](CCO)C2)C1 ZINC001376100060 887903139 /nfs/dbraw/zinc/90/31/39/887903139.db2.gz SOJQLBGZWUBYBZ-AAEUAGOBSA-N 2 1 271.361 -1.517 20 0 CAADMP C[C@@H]1CC[N@H+](CC(=O)NC[C@@H](CO)[NH2+]CC(N)=O)C1 ZINC001382243298 888313573 /nfs/dbraw/zinc/31/35/73/888313573.db2.gz FSAHGMWZSFDLKV-ZJUUUORDSA-N 2 1 272.349 -2.120 20 0 CAADMP C[C@@H]1CC[N@@H+](CC(=O)NC[C@@H](CO)[NH2+]CC(N)=O)C1 ZINC001382243298 888313591 /nfs/dbraw/zinc/31/35/91/888313591.db2.gz FSAHGMWZSFDLKV-ZJUUUORDSA-N 2 1 272.349 -2.120 20 0 CAADMP Cc1[nH+]ccn1CC(=O)NC[C@H](CO)[NH2+]C[C@H](C)O ZINC001382275373 888324786 /nfs/dbraw/zinc/32/47/86/888324786.db2.gz SQSGTHUMCSDFGL-GXSJLCMTSA-N 2 1 270.333 -1.361 20 0 CAADMP CN(C[C@H](O)C[NH+](C)CCO)C(=O)[C@H]1CCC[N@@H+]1C ZINC001382470372 888360006 /nfs/dbraw/zinc/36/00/06/888360006.db2.gz DNVPJHKUCHUBOU-VXGBXAGGSA-N 2 1 273.377 -1.176 20 0 CAADMP CN(C[C@H](O)C[NH+](C)CCO)C(=O)[C@H]1CCC[N@H+]1C ZINC001382470372 888360020 /nfs/dbraw/zinc/36/00/20/888360020.db2.gz DNVPJHKUCHUBOU-VXGBXAGGSA-N 2 1 273.377 -1.176 20 0 CAADMP C[C@H](O)C[NH2+]C[C@@H](O)CNC(=O)CC[NH+]1CCOCC1 ZINC001392411389 888700336 /nfs/dbraw/zinc/70/03/36/888700336.db2.gz RFWWADNMEVCPQA-NWDGAFQWSA-N 2 1 289.376 -1.844 20 0 CAADMP C[N@@H+](CC(=O)NC[C@H](O)C[NH2+]CC(N)=O)C1CCC1 ZINC001392371969 888687355 /nfs/dbraw/zinc/68/73/55/888687355.db2.gz GHQRXLLWVDQYSG-SNVBAGLBSA-N 2 1 272.349 -1.977 20 0 CAADMP CN(C[C@@H](O)C[NH2+]CC(N)=O)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001394748722 888887384 /nfs/dbraw/zinc/88/73/84/888887384.db2.gz XDECTCNXYLJFPR-QWRGUYRKSA-N 2 1 286.376 -1.635 20 0 CAADMP C[C@H]1C[C@@H](C(=O)NC[C@@H](O)C[NH2+]CC(N)=O)CC[N@H+]1C ZINC001401572714 889161224 /nfs/dbraw/zinc/16/12/24/889161224.db2.gz PUKPTNBGIDTXTG-DCAQKATOSA-N 2 1 286.376 -1.731 20 0 CAADMP CCC[N@@H+](C)CC(=O)N1CCO[C@@H](C[NH2+]CC(N)=O)C1 ZINC001402604238 889253048 /nfs/dbraw/zinc/25/30/48/889253048.db2.gz QAULHEYMNNJUSP-NSHDSACASA-N 2 1 286.376 -1.370 20 0 CAADMP CNC(=O)C[NH2+]C[C@H](O)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001406214413 889486102 /nfs/dbraw/zinc/48/61/02/889486102.db2.gz LFLLCOBBCKXWBN-OUAUKWLOSA-N 2 1 286.376 -1.861 20 0 CAADMP C[N@@H+]1CCO[C@@H](C(=O)NC[C@H](O)C[NH2+]CC2CC2)C1 ZINC001406220088 889489325 /nfs/dbraw/zinc/48/93/25/889489325.db2.gz VJJTVAWVXXLATN-VXGBXAGGSA-N 2 1 271.361 -1.206 20 0 CAADMP C[N@H+]1CCO[C@@H](C(=O)NC[C@H](O)C[NH2+]CC2CC2)C1 ZINC001406220088 889489329 /nfs/dbraw/zinc/48/93/29/889489329.db2.gz VJJTVAWVXXLATN-VXGBXAGGSA-N 2 1 271.361 -1.206 20 0 CAADMP CC(C)[N@@H+](C)CC(=O)NC[C@@H](O)C[NH2+]CC(=O)N(C)C ZINC001406301191 889509468 /nfs/dbraw/zinc/50/94/68/889509468.db2.gz KTSAWXRAIAJWTD-NSHDSACASA-N 2 1 288.392 -1.519 20 0 CAADMP C[N@@H+]1CCO[C@H](C(=O)NC[C@@H](CO)[NH2+]CC2CC2)C1 ZINC001410575999 889684214 /nfs/dbraw/zinc/68/42/14/889684214.db2.gz FJCINBNRWKEFFP-RYUDHWBXSA-N 2 1 271.361 -1.206 20 0 CAADMP C[N@H+]1CCO[C@H](C(=O)NC[C@@H](CO)[NH2+]CC2CC2)C1 ZINC001410575999 889684218 /nfs/dbraw/zinc/68/42/18/889684218.db2.gz FJCINBNRWKEFFP-RYUDHWBXSA-N 2 1 271.361 -1.206 20 0 CAADMP CNC(=O)C[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001411154022 889736409 /nfs/dbraw/zinc/73/64/09/889736409.db2.gz YYGOZHNKNCEDFZ-QWRGUYRKSA-N 2 1 286.376 -1.907 20 0 CAADMP CNC(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001411154013 889739610 /nfs/dbraw/zinc/73/96/10/889739610.db2.gz YYGOZHNKNCEDFZ-GHMZBOCLSA-N 2 1 286.376 -1.907 20 0 CAADMP C[C@@H]1CC[N@H+](CC(=O)NC[C@@]2(CO)COCC[NH2+]2)C1 ZINC001418953379 890276046 /nfs/dbraw/zinc/27/60/46/890276046.db2.gz QZOAGKCRWUZRQG-DGCLKSJQSA-N 2 1 271.361 -1.205 20 0 CAADMP C[C@@H]1CC[N@@H+](CC(=O)NC[C@@]2(CO)COCC[NH2+]2)C1 ZINC001418953379 890276068 /nfs/dbraw/zinc/27/60/68/890276068.db2.gz QZOAGKCRWUZRQG-DGCLKSJQSA-N 2 1 271.361 -1.205 20 0 CAADMP CC[N@@H+](C)CCC(=O)NC[C@@H](O)C[NH2+][C@@H]1CCNC1=O ZINC001420193049 890410605 /nfs/dbraw/zinc/41/06/05/890410605.db2.gz IFCCHGNFPOAUJH-WDEREUQCSA-N 2 1 286.376 -1.717 20 0 CAADMP CNC(=O)[C@H](C)[NH2+]C[C@@H](O)CNC(=O)C[N@@H+](C)C(C)C ZINC001420215385 890419073 /nfs/dbraw/zinc/41/90/73/890419073.db2.gz ORISDOCPVLNYJF-WDEREUQCSA-N 2 1 288.392 -1.472 20 0 CAADMP C[C@@H]1[C@@H]([NH2+]CC(N)=O)CCN1C(=O)CC[NH+]1CCOCC1 ZINC000987191435 884006516 /nfs/dbraw/zinc/00/65/16/884006516.db2.gz LXVURONZQKEUME-NEPJUHHUSA-N 2 1 298.387 -1.227 20 0 CAADMP C[C@H]1[C@H]([NH2+]CC(N)=O)CCN1C(=O)CC[NH+]1CCOCC1 ZINC000987191440 884007934 /nfs/dbraw/zinc/00/79/34/884007934.db2.gz LXVURONZQKEUME-NWDGAFQWSA-N 2 1 298.387 -1.227 20 0 CAADMP C[N@@H+]1CCO[C@@H](C(=O)NC2CCC([NH2+]CC(N)=O)CC2)C1 ZINC001026470608 884014323 /nfs/dbraw/zinc/01/43/23/884014323.db2.gz JKXFJSOJZNXTHG-HTAVTVPLSA-N 2 1 298.387 -1.181 20 0 CAADMP C[N@H+]1CCO[C@@H](C(=O)NC2CCC([NH2+]CC(N)=O)CC2)C1 ZINC001026470608 884014332 /nfs/dbraw/zinc/01/43/32/884014332.db2.gz JKXFJSOJZNXTHG-HTAVTVPLSA-N 2 1 298.387 -1.181 20 0 CAADMP C[NH+](C)CCCC(=O)N[C@@H]1[C@H]2C[N@@H+](CC(N)=O)C[C@H]21 ZINC001114750430 884046957 /nfs/dbraw/zinc/04/69/57/884046957.db2.gz HYEZYXWIRUTBII-IWIIMEHWSA-N 2 1 268.361 -1.140 20 0 CAADMP C[NH+](C)CCCC(=O)N[C@@H]1[C@H]2C[N@H+](CC(N)=O)C[C@H]21 ZINC001114750430 884046944 /nfs/dbraw/zinc/04/69/44/884046944.db2.gz HYEZYXWIRUTBII-IWIIMEHWSA-N 2 1 268.361 -1.140 20 0 CAADMP C[C@@H]1[C@H](C(=O)NCC[NH2+][C@@H]2CCC(=O)NC2=O)CC[N@H+]1C ZINC001127639360 884058351 /nfs/dbraw/zinc/05/83/51/884058351.db2.gz YJABYWYLNWYYKB-GMTAPVOTSA-N 2 1 296.371 -1.162 20 0 CAADMP C[C@@H]([NH2+]CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C(=O)NC(N)=O ZINC001127653016 884058803 /nfs/dbraw/zinc/05/88/03/884058803.db2.gz JIJPGBJIQOJJDT-OPRDCNLKSA-N 2 1 299.375 -1.384 20 0 CAADMP C[C@@H]1[C@H](C(=O)NCC[NH2+][C@H]2CCC(=O)NC2=O)CC[N@H+]1C ZINC001127639361 884059594 /nfs/dbraw/zinc/05/95/94/884059594.db2.gz YJABYWYLNWYYKB-MXWKQRLJSA-N 2 1 296.371 -1.162 20 0 CAADMP CC[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+][C@@H]2CCN(C)C2=O)C1 ZINC001151739357 884063819 /nfs/dbraw/zinc/06/38/19/884063819.db2.gz LFHOVCORXVWOMZ-VXGBXAGGSA-N 2 1 298.387 -1.356 20 0 CAADMP CC[N@H+]1CCO[C@@H](C(=O)NCC[NH2+][C@@H]2CCN(C)C2=O)C1 ZINC001151739357 884063836 /nfs/dbraw/zinc/06/38/36/884063836.db2.gz LFHOVCORXVWOMZ-VXGBXAGGSA-N 2 1 298.387 -1.356 20 0 CAADMP CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H]([NH3+])COC(C)=O ZINC001157322930 884065592 /nfs/dbraw/zinc/06/55/92/884065592.db2.gz DYINHWGOXHMGBS-UWVGGRQHSA-N 2 1 288.348 -1.763 20 0 CAADMP C[NH+](C)C[C@@]1(O)CCN(c2nc(N)nc(N)[nH+]2)C1 ZINC001307189394 884120042 /nfs/dbraw/zinc/12/00/42/884120042.db2.gz FMDXQIAIQCDNGP-JTQLQIEISA-N 2 1 253.310 -1.461 20 0 CAADMP C[NH+]1CCN(C(=O)CC[N@@H+]2C[C@@H]3C(=O)NC(=O)[C@@H]3C2)CC1 ZINC001307784391 884123822 /nfs/dbraw/zinc/12/38/22/884123822.db2.gz BNOCBGVAMYGLJK-PHIMTYICSA-N 2 1 294.355 -1.645 20 0 CAADMP C[NH+]1CCN(C(=O)CC[N@H+]2C[C@@H]3C(=O)NC(=O)[C@@H]3C2)CC1 ZINC001307784391 884123830 /nfs/dbraw/zinc/12/38/30/884123830.db2.gz BNOCBGVAMYGLJK-PHIMTYICSA-N 2 1 294.355 -1.645 20 0 CAADMP C[N@@H+](CCCNC(=O)[C@H]1CC[NH+](C)C1)CC(=O)NC(N)=O ZINC001316864735 884157506 /nfs/dbraw/zinc/15/75/06/884157506.db2.gz AVPOTNMXBDGWPJ-JTQLQIEISA-N 2 1 299.375 -1.429 20 0 CAADMP C[NH+](CCCNC(=O)[C@H]1CC[N@H+](C)C1)CC(=O)NC(N)=O ZINC001316864735 884157513 /nfs/dbraw/zinc/15/75/13/884157513.db2.gz AVPOTNMXBDGWPJ-JTQLQIEISA-N 2 1 299.375 -1.429 20 0 CAADMP C[NH+](CCCNC(=O)[C@H]1CC[N@@H+](C)C1)CC(=O)NC(N)=O ZINC001316864735 884157518 /nfs/dbraw/zinc/15/75/18/884157518.db2.gz AVPOTNMXBDGWPJ-JTQLQIEISA-N 2 1 299.375 -1.429 20 0 CAADMP CN(CC[NH2+]CC(N)=O)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001317578934 884221403 /nfs/dbraw/zinc/22/14/03/884221403.db2.gz RSYJLKMMGLYLFI-VIFPVBQESA-N 2 1 258.322 -2.150 20 0 CAADMP CN(CC[NH2+]CC(N)=O)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001317578934 884221414 /nfs/dbraw/zinc/22/14/14/884221414.db2.gz RSYJLKMMGLYLFI-VIFPVBQESA-N 2 1 258.322 -2.150 20 0 CAADMP CNC(=O)C[NH2+]CCN(C)C(=O)Cn1cc[nH+]c1C ZINC001317661563 884236419 /nfs/dbraw/zinc/23/64/19/884236419.db2.gz NXIVNPCYEUCEPI-UHFFFAOYSA-N 2 1 267.333 -1.014 20 0 CAADMP C[C@@H]([NH2+]CCN(C)C(=O)[C@@H]1CC[N@@H+](C)C1)C(N)=O ZINC001317662112 884237011 /nfs/dbraw/zinc/23/70/11/884237011.db2.gz UPJBOPVNNBYMII-NXEZZACHSA-N 2 1 256.350 -1.140 20 0 CAADMP C[C@H](CC[NH2+]CCO)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001320375533 884417709 /nfs/dbraw/zinc/41/77/09/884417709.db2.gz JOCPXMGRQNXPIK-MNOVXSKESA-N 2 1 259.350 -1.206 20 0 CAADMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](O)C[NH2+]CCCO ZINC001320204185 884387804 /nfs/dbraw/zinc/38/78/04/884387804.db2.gz OPCQBNQDYJLZIP-WDEREUQCSA-N 2 1 259.350 -1.470 20 0 CAADMP O=C(CC[NH+]1CCOCC1)NC[C@@H](O)C[NH2+]CCO ZINC001320286022 884410280 /nfs/dbraw/zinc/41/02/80/884410280.db2.gz HVFGWGXLTGDMQH-NSHDSACASA-N 2 1 275.349 -2.232 20 0 CAADMP CC[N@@H+]1CCO[C@H](C(=O)NC[C@H](O)C[NH2+]CCOC)C1 ZINC001320312194 884414975 /nfs/dbraw/zinc/41/49/75/884414975.db2.gz GUSWWXPLSDCXSL-NEPJUHHUSA-N 2 1 289.376 -1.580 20 0 CAADMP CC[N@H+]1CCO[C@H](C(=O)NC[C@H](O)C[NH2+]CCOC)C1 ZINC001320312194 884414979 /nfs/dbraw/zinc/41/49/79/884414979.db2.gz GUSWWXPLSDCXSL-NEPJUHHUSA-N 2 1 289.376 -1.580 20 0 CAADMP C[C@H](CC[NH2+]CCO)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001320375531 884417055 /nfs/dbraw/zinc/41/70/55/884417055.db2.gz JOCPXMGRQNXPIK-GHMZBOCLSA-N 2 1 259.350 -1.206 20 0 CAADMP C[C@H](CC[NH2+]CCO)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001320375531 884417050 /nfs/dbraw/zinc/41/70/50/884417050.db2.gz JOCPXMGRQNXPIK-GHMZBOCLSA-N 2 1 259.350 -1.206 20 0 CAADMP C[C@@H](CC[NH2+]CCO)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001320375536 884417196 /nfs/dbraw/zinc/41/71/96/884417196.db2.gz JOCPXMGRQNXPIK-WDEREUQCSA-N 2 1 259.350 -1.206 20 0 CAADMP C[C@@H](CC[NH2+]CCO)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001320375536 884417202 /nfs/dbraw/zinc/41/72/02/884417202.db2.gz JOCPXMGRQNXPIK-WDEREUQCSA-N 2 1 259.350 -1.206 20 0 CAADMP C[C@H](CC[NH2+]CCO)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001320375533 884417706 /nfs/dbraw/zinc/41/77/06/884417706.db2.gz JOCPXMGRQNXPIK-MNOVXSKESA-N 2 1 259.350 -1.206 20 0 CAADMP C[C@H](CC[NH2+]CC(N)=O)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001320641318 884435839 /nfs/dbraw/zinc/43/58/39/884435839.db2.gz WRAOYLOTPFLWQJ-ZJUUUORDSA-N 2 1 256.350 -1.092 20 0 CAADMP C[C@H](CC[NH2+]CC(N)=O)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001320641315 884436095 /nfs/dbraw/zinc/43/60/95/884436095.db2.gz WRAOYLOTPFLWQJ-NXEZZACHSA-N 2 1 256.350 -1.092 20 0 CAADMP CCN(CC[NH2+]CC(N)=O)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001320920181 884454008 /nfs/dbraw/zinc/45/40/08/884454008.db2.gz BLXLUNRHNVQOKG-SNVBAGLBSA-N 2 1 256.350 -1.139 20 0 CAADMP C[N@H+]1CCC[C@@H]1C(=O)NC/C=C/C[NH2+]CC(=O)NC(N)=O ZINC001321188921 884478470 /nfs/dbraw/zinc/47/84/70/884478470.db2.gz KELCVABUQOSYAE-VMZHVLLKSA-N 2 1 297.359 -1.463 20 0 CAADMP OC(CN1C[C@@H]2C[NH2+]C[C@H]2C1)CN1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC001322106989 884536807 /nfs/dbraw/zinc/53/68/07/884536807.db2.gz MVJNTSCNMZCKFT-XUXIUFHCSA-N 2 1 280.416 -1.350 20 0 CAADMP C[NH+](C)CCC(=O)NC[C@@]1(O)CC[N@@H+](CCO)C1 ZINC001325127249 884708261 /nfs/dbraw/zinc/70/82/61/884708261.db2.gz UKAHMBNQALCBDG-LBPRGKRZSA-N 2 1 259.350 -1.517 20 0 CAADMP C[NH+](C)CCC(=O)NC[C@]1(O)CC[N@@H+](CCO)C1 ZINC001325127247 884710208 /nfs/dbraw/zinc/71/02/08/884710208.db2.gz UKAHMBNQALCBDG-GFCCVEGCSA-N 2 1 259.350 -1.517 20 0 CAADMP C[C@@H](CNC(=O)COCC[NH3+])CN1CC[NH+](C)CC1 ZINC001326026420 884759502 /nfs/dbraw/zinc/75/95/02/884759502.db2.gz CMYIBQGFRACLSM-LBPRGKRZSA-N 2 1 272.393 -1.039 20 0 CAADMP C[N@H+]1CCC[C@@H]1C(=O)N(CCO)CC[NH2+]CCCO ZINC001326070874 884765911 /nfs/dbraw/zinc/76/59/11/884765911.db2.gz UANKTUJUJPWKEN-GFCCVEGCSA-N 2 1 273.377 -1.127 20 0 CAADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)CNC(=O)C[NH3+])C1 ZINC001326340342 884783466 /nfs/dbraw/zinc/78/34/66/884783466.db2.gz JEEAJEUTDBMOJB-SNVBAGLBSA-N 2 1 256.350 -1.139 20 0 CAADMP CC[N@H+]1CCC[C@H](CNC(=O)CNC(=O)C[NH3+])C1 ZINC001326356508 884789332 /nfs/dbraw/zinc/78/93/32/884789332.db2.gz MUYLIFNEDGGFIP-SNVBAGLBSA-N 2 1 256.350 -1.091 20 0 CAADMP O=C(CN1CC[NH+](CCN2CC[NH2+]CC2)CC1)NC1CC1 ZINC001326692288 884822774 /nfs/dbraw/zinc/82/27/74/884822774.db2.gz GBSFRLWWSDUAQQ-UHFFFAOYSA-N 2 1 295.431 -1.212 20 0 CAADMP [NH3+]CCCNC(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC001326806242 884835001 /nfs/dbraw/zinc/83/50/01/884835001.db2.gz FAKHFEMGGADLCO-VHSXEESVSA-N 2 1 270.333 -2.271 20 0 CAADMP Cn1ccnc1[C@H]1C[NH2+]CCN1C(=O)COCC[NH3+] ZINC001327120107 884865261 /nfs/dbraw/zinc/86/52/61/884865261.db2.gz ASEYXOXNFXJTJJ-SNVBAGLBSA-N 2 1 267.333 -1.132 20 0 CAADMP [NH3+]CCOCC[NH+]1CCN(CC(=O)NC2CC2)CC1 ZINC001327206593 884867354 /nfs/dbraw/zinc/86/73/54/884867354.db2.gz QLQQMCDHGLKYJX-UHFFFAOYSA-N 2 1 270.377 -1.142 20 0 CAADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC001327501026 884894657 /nfs/dbraw/zinc/89/46/57/884894657.db2.gz RFNNLPOICJVOAY-QWRGUYRKSA-N 2 1 283.376 -2.174 20 0 CAADMP C([C@H]1CNCCO1)[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC001327597711 884908445 /nfs/dbraw/zinc/90/84/45/884908445.db2.gz SPCWAUFUVUUCRF-CHWSQXEVSA-N 3 1 254.378 -1.046 20 0 CAADMP C([C@H]1C[NH2+]CCO1)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC001327597711 884908458 /nfs/dbraw/zinc/90/84/58/884908458.db2.gz SPCWAUFUVUUCRF-CHWSQXEVSA-N 3 1 254.378 -1.046 20 0 CAADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C1=NO[C@H](C[NH3+])C1 ZINC001327929150 884944642 /nfs/dbraw/zinc/94/46/42/884944642.db2.gz OAJOFZMTEKMFFB-ZJUUUORDSA-N 2 1 269.349 -1.548 20 0 CAADMP OC[C@@H]1C[C@@H](O)C[NH+]1C/C=C/C[N@@H+]1C[C@H](O)C[C@H]1CO ZINC001328380412 884978014 /nfs/dbraw/zinc/97/80/14/884978014.db2.gz DCPZRKBGCBJMEF-ZWODLEOPSA-N 2 1 286.372 -1.602 20 0 CAADMP CN(C)C(=O)[C@@H]1C[N@@H+](CCN2CC[NH2+]CC2)CCN1 ZINC001328493818 884995588 /nfs/dbraw/zinc/99/55/88/884995588.db2.gz YJKIFAWHSDTXJL-LBPRGKRZSA-N 2 1 269.393 -1.746 20 0 CAADMP CN(C)C(=O)[C@@H]1CN(CCN2CC[NH2+]CC2)CC[NH2+]1 ZINC001328493818 884995597 /nfs/dbraw/zinc/99/55/97/884995597.db2.gz YJKIFAWHSDTXJL-LBPRGKRZSA-N 2 1 269.393 -1.746 20 0 CAADMP C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)CNC(=O)C[NH3+] ZINC001329273594 885085905 /nfs/dbraw/zinc/08/59/05/885085905.db2.gz SDRRHFOOQGXWRS-NXEZZACHSA-N 2 1 256.350 -1.140 20 0 CAADMP C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)CNC(=O)C[NH3+] ZINC001329273595 885083494 /nfs/dbraw/zinc/08/34/94/885083494.db2.gz SDRRHFOOQGXWRS-UWVGGRQHSA-N 2 1 256.350 -1.140 20 0 CAADMP O=C(CC[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1)N1CC[NH2+]CC1 ZINC001329498686 885111391 /nfs/dbraw/zinc/11/13/91/885111391.db2.gz HCUGNFCTEWQREG-AWEZNQCLSA-N 2 1 295.431 -1.212 20 0 CAADMP O=C(CC[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1)N1CCNCC1 ZINC001329498686 885111400 /nfs/dbraw/zinc/11/14/00/885111400.db2.gz HCUGNFCTEWQREG-AWEZNQCLSA-N 2 1 295.431 -1.212 20 0 CAADMP O=C(CC[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1)N1CCNCC1 ZINC001329498686 885111409 /nfs/dbraw/zinc/11/14/09/885111409.db2.gz HCUGNFCTEWQREG-AWEZNQCLSA-N 2 1 295.431 -1.212 20 0 CAADMP C[C@@H]([NH3+])CN(C)C(=O)C(=O)N1C[C@@H]2CC[N@@H+](C)[C@@H]2C1 ZINC001330214967 885182133 /nfs/dbraw/zinc/18/21/33/885182133.db2.gz OBOHUEQHLHXIKP-OUAUKWLOSA-N 2 1 268.361 -1.046 20 0 CAADMP NC(=O)[C@@H]1C[N@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)CCO1 ZINC001330584333 885206631 /nfs/dbraw/zinc/20/66/31/885206631.db2.gz IBOJGNGUSNXYAK-UWVGGRQHSA-N 2 1 255.318 -1.307 20 0 CAADMP NC(=O)[C@@H]1C[N@@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)CCO1 ZINC001330584333 885206648 /nfs/dbraw/zinc/20/66/48/885206648.db2.gz IBOJGNGUSNXYAK-UWVGGRQHSA-N 2 1 255.318 -1.307 20 0 CAADMP C[N@H+]1CC[C@H]2CN(C(=O)CNC(=O)C[NH3+])CC[C@H]21 ZINC001330649295 885215959 /nfs/dbraw/zinc/21/59/59/885215959.db2.gz XQHMSUIUCDCEQF-VHSXEESVSA-N 2 1 254.334 -1.386 20 0 CAADMP C[N@H+]1CC[C@H]2CN(C(=O)CNC(=O)C[NH3+])CC[C@@H]21 ZINC001330649293 885216503 /nfs/dbraw/zinc/21/65/03/885216503.db2.gz XQHMSUIUCDCEQF-UWVGGRQHSA-N 2 1 254.334 -1.386 20 0 CAADMP C[C@H]([NH3+])CCNC(=O)C(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCO1 ZINC001330860302 885238138 /nfs/dbraw/zinc/23/81/38/885238138.db2.gz PWKPJYYWLGUZCG-GARJFASQSA-N 2 1 286.376 -1.325 20 0 CAADMP C[C@H]([NH3+])CCNC(=O)C(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC001330860302 885238154 /nfs/dbraw/zinc/23/81/54/885238154.db2.gz PWKPJYYWLGUZCG-GARJFASQSA-N 2 1 286.376 -1.325 20 0 CAADMP C[C@@H](CN(C)C(=O)[C@H]1C[N@H+](C)CCO1)[NH2+]CCO ZINC001331411223 885274343 /nfs/dbraw/zinc/27/43/43/885274343.db2.gz UHJSQTNXLZVFMC-WDEREUQCSA-N 2 1 259.350 -1.254 20 0 CAADMP C[C@@H](CN(C)C(=O)[C@H]1C[N@@H+](C)CCO1)[NH2+]CCO ZINC001331411223 885274360 /nfs/dbraw/zinc/27/43/60/885274360.db2.gz UHJSQTNXLZVFMC-WDEREUQCSA-N 2 1 259.350 -1.254 20 0 CAADMP C[C@H](CN(C)C(=O)[C@@H]1C[N@H+](C)CCO1)[NH2+]CCO ZINC001331411220 885275161 /nfs/dbraw/zinc/27/51/61/885275161.db2.gz UHJSQTNXLZVFMC-MNOVXSKESA-N 2 1 259.350 -1.254 20 0 CAADMP C[C@H](CN(C)C(=O)[C@@H]1C[N@@H+](C)CCO1)[NH2+]CCO ZINC001331411220 885275182 /nfs/dbraw/zinc/27/51/82/885275182.db2.gz UHJSQTNXLZVFMC-MNOVXSKESA-N 2 1 259.350 -1.254 20 0 CAADMP C[C@@H](CN(C)C(=O)[C@@H]1C[N@H+](C)CCO1)[NH2+]CCO ZINC001331411222 885277468 /nfs/dbraw/zinc/27/74/68/885277468.db2.gz UHJSQTNXLZVFMC-QWRGUYRKSA-N 2 1 259.350 -1.254 20 0 CAADMP C[C@@H](CN(C)C(=O)[C@@H]1C[N@@H+](C)CCO1)[NH2+]CCO ZINC001331411222 885277482 /nfs/dbraw/zinc/27/74/82/885277482.db2.gz UHJSQTNXLZVFMC-QWRGUYRKSA-N 2 1 259.350 -1.254 20 0 CAADMP COCC[NH2+][C@H](CO)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001331683919 885310749 /nfs/dbraw/zinc/31/07/49/885310749.db2.gz MNBDZXXMAGEBET-WDEREUQCSA-N 2 1 259.350 -1.206 20 0 CAADMP C[C@H]([NH3+])CN(C)C(=O)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC001331731442 885328307 /nfs/dbraw/zinc/32/83/07/885328307.db2.gz MWDSRFSWZAOGFW-WDEREUQCSA-N 2 1 285.392 -1.846 20 0 CAADMP CN1C(=O)[C@H]2C[N@@H+](CCN3CC[NH2+]CC3)C[C@H]2C1=O ZINC001331984433 885372538 /nfs/dbraw/zinc/37/25/38/885372538.db2.gz RRNSCJLXCXIVOH-PHIMTYICSA-N 2 1 266.345 -1.562 20 0 CAADMP C[C@@H](NC(=O)C(=O)NC[C@H]1C[C@H]([NH3+])C1)[C@@H]1C[N@H+](C)CCO1 ZINC001332287310 885397289 /nfs/dbraw/zinc/39/72/89/885397289.db2.gz GQQKVTHYUBFBAB-KKOKHZNYSA-N 2 1 298.387 -1.325 20 0 CAADMP C[C@@H](NC(=O)C(=O)NC[C@H]1C[C@H]([NH3+])C1)[C@@H]1C[N@@H+](C)CCO1 ZINC001332287310 885397308 /nfs/dbraw/zinc/39/73/08/885397308.db2.gz GQQKVTHYUBFBAB-KKOKHZNYSA-N 2 1 298.387 -1.325 20 0 CAADMP CN(Cc1cnn(C)c1)C(=O)CN1CC[NH2+]CC[NH2+]CC1 ZINC001332335574 885400234 /nfs/dbraw/zinc/40/02/34/885400234.db2.gz YLMUPSMFBRMOHQ-UHFFFAOYSA-N 2 1 294.403 -1.127 20 0 CAADMP C[N@@H+](C[C@H](O)C[NH3+])C[C@H](O)COC[C@@H]1CCCO1 ZINC001332334989 885400617 /nfs/dbraw/zinc/40/06/17/885400617.db2.gz QIDGBMIDSYUAAX-WOPDTQHZSA-N 2 1 262.350 -1.206 20 0 CAADMP CN(C[C@H](O)C[NH2+]CCO)C(=O)[C@H]1CCC[N@H+]1C ZINC001332551045 885418699 /nfs/dbraw/zinc/41/86/99/885418699.db2.gz IAMIHDFNFHEPSI-GHMZBOCLSA-N 2 1 259.350 -1.518 20 0 CAADMP CN(C[C@@H](O)C[NH2+]CCO)C(=O)[C@H]1CCC[N@H+]1C ZINC001332551046 885418690 /nfs/dbraw/zinc/41/86/90/885418690.db2.gz IAMIHDFNFHEPSI-WDEREUQCSA-N 2 1 259.350 -1.518 20 0 CAADMP C[C@@H]1CC[N@@H+](CC(=O)N(C)C[C@H](O)C[NH2+]CCO)C1 ZINC001332566307 885421365 /nfs/dbraw/zinc/42/13/65/885421365.db2.gz NROVOGVCMYEKNN-VXGBXAGGSA-N 2 1 273.377 -1.271 20 0 CAADMP C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)NCC3C[NH2+]C3)CC[C@H]21 ZINC001333423502 885481701 /nfs/dbraw/zinc/48/17/01/885481701.db2.gz OIRRTAOKNBZTAH-VXGBXAGGSA-N 2 1 280.372 -1.125 20 0 CAADMP COCC[N@H+]1CC[C@H](NC(=O)C(=O)NC[C@H]2C[C@@H]([NH3+])C2)C1 ZINC001333960383 885512837 /nfs/dbraw/zinc/51/28/37/885512837.db2.gz UWEBHHZZZMATNJ-TUAOUCFPSA-N 2 1 298.387 -1.323 20 0 CAADMP Cn1nc2c(cc1=O)C[N@H+]([C@H]1C[C@H]([NH3+])C[C@@H]1O)CC2 ZINC001334339697 885534514 /nfs/dbraw/zinc/53/45/14/885534514.db2.gz YORHEBUCCFSUAD-DLOVCJGASA-N 2 1 264.329 -1.011 20 0 CAADMP Cn1nc2c(cc1=O)C[N@@H+]([C@H]1C[C@H]([NH3+])C[C@@H]1O)CC2 ZINC001334339697 885534525 /nfs/dbraw/zinc/53/45/25/885534525.db2.gz YORHEBUCCFSUAD-DLOVCJGASA-N 2 1 264.329 -1.011 20 0 CAADMP COCCS(=O)(=O)CCCN1CC[NH2+]CC[NH2+]CC1 ZINC001334336895 885536068 /nfs/dbraw/zinc/53/60/68/885536068.db2.gz FLAQFOQPWSDQIM-UHFFFAOYSA-N 2 1 293.433 -1.068 20 0 CAADMP CN1CC[C@@H]1CNC(=O)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC001335593165 885623253 /nfs/dbraw/zinc/62/32/53/885623253.db2.gz FOPZONRRYQHOSY-VXGBXAGGSA-N 2 1 297.403 -1.831 20 0 CAADMP CN1CC[C@@H]1CNC(=O)C(=O)NC[C@@H]1CN(C)CCN1C ZINC001335593165 885623262 /nfs/dbraw/zinc/62/32/62/885623262.db2.gz FOPZONRRYQHOSY-VXGBXAGGSA-N 2 1 297.403 -1.831 20 0 CAADMP CN1CC[C@@H]1CNC(=O)C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC001335593162 885625176 /nfs/dbraw/zinc/62/51/76/885625176.db2.gz FOPZONRRYQHOSY-NEPJUHHUSA-N 2 1 297.403 -1.831 20 0 CAADMP CN1CC[C@@H]1CNC(=O)C(=O)NC[C@H]1CN(C)CCN1C ZINC001335593162 885625180 /nfs/dbraw/zinc/62/51/80/885625180.db2.gz FOPZONRRYQHOSY-NEPJUHHUSA-N 2 1 297.403 -1.831 20 0 CAADMP CN1CC[C@H]1CNC(=O)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC001335593163 885625280 /nfs/dbraw/zinc/62/52/80/885625280.db2.gz FOPZONRRYQHOSY-NWDGAFQWSA-N 2 1 297.403 -1.831 20 0 CAADMP CN1CC[C@H]1CNC(=O)C(=O)NC[C@@H]1CN(C)CCN1C ZINC001335593163 885625290 /nfs/dbraw/zinc/62/52/90/885625290.db2.gz FOPZONRRYQHOSY-NWDGAFQWSA-N 2 1 297.403 -1.831 20 0 CAADMP C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC001335752311 885634283 /nfs/dbraw/zinc/63/42/83/885634283.db2.gz WVGVIVREZVVRKT-GRYCIOLGSA-N 2 1 297.403 -1.928 20 0 CAADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)[C@@H]1[NH2+]C[C@@H]2C[C@@H]21 ZINC001335843447 885640559 /nfs/dbraw/zinc/64/05/59/885640559.db2.gz NHXIWIHXVPVTHL-FIQHERPVSA-N 2 1 252.362 -1.044 20 0 CAADMP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)NC[C@H]2C[C@H]([NH3+])C2)C1 ZINC001337456359 885702164 /nfs/dbraw/zinc/70/21/64/885702164.db2.gz UWEBHHZZZMATNJ-IJLUTSLNSA-N 2 1 298.387 -1.323 20 0 CAADMP [NH3+]CC1(C(=O)NCCC[NH+]2CCOCC2)CC(O)C1 ZINC001340010283 885788094 /nfs/dbraw/zinc/78/80/94/885788094.db2.gz BTWRLOHJUPVNTG-UHFFFAOYSA-N 2 1 271.361 -1.075 20 0 CAADMP CN1CC[NH2+]C[C@H]1C(=O)N1CC[NH2+]C[C@@H]1C(F)F ZINC001340165053 885795430 /nfs/dbraw/zinc/79/54/30/885795430.db2.gz RXIVXTTWHGUFMP-BDAKNGLRSA-N 2 1 262.304 -1.045 20 0 CAADMP CN1CC[NH2+]C[C@H]1C(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O ZINC001340689698 885809016 /nfs/dbraw/zinc/80/90/16/885809016.db2.gz CBNIMRPRLGMNGV-RYUDHWBXSA-N 2 1 297.403 -1.654 20 0 CAADMP CN(C)c1[nH+]cc(CNC(=O)C[C@H](O)C[NH3+])n1C ZINC001340866607 885820394 /nfs/dbraw/zinc/82/03/94/885820394.db2.gz ZAUJJBVDIHHAAD-VIFPVBQESA-N 2 1 255.322 -1.188 20 0 CAADMP CN1CCC([N@H+]2CC[C@H](NC(=O)CNCC[NH3+])C2)CC1 ZINC001340870153 885820530 /nfs/dbraw/zinc/82/05/30/885820530.db2.gz AYJXWXAZKNDIKG-LBPRGKRZSA-N 2 1 283.420 -1.181 20 0 CAADMP C[NH+]1CCC(N2CC[C@H](NC(=O)CNCC[NH3+])C2)CC1 ZINC001340870153 885820542 /nfs/dbraw/zinc/82/05/42/885820542.db2.gz AYJXWXAZKNDIKG-LBPRGKRZSA-N 2 1 283.420 -1.181 20 0 CAADMP C[NH2+][C@@H](C)C(=O)N1CC[NH2+]CCN(C(=O)[C@H](C)[NH2+]C)CC1 ZINC001341155044 885826284 /nfs/dbraw/zinc/82/62/84/885826284.db2.gz KNGMETAFJADPNS-RYUDHWBXSA-N 3 1 299.419 -1.537 20 0 CAADMP C[C@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N[C@@H]1C[NH2+]C[C@@H]1O ZINC001341418841 885837013 /nfs/dbraw/zinc/83/70/13/885837013.db2.gz VMIJGOAWEYNKEL-ZDCRXTMVSA-N 2 1 254.334 -2.176 20 0 CAADMP O=C(Nc1cc2n(n1)CC[NH2+]C2)[C@H]1C[NH2+]CCO1 ZINC001341504886 885841768 /nfs/dbraw/zinc/84/17/68/885841768.db2.gz BRYWHQVLRJJKGO-SECBINFHSA-N 2 1 251.290 -1.087 20 0 CAADMP CN1CCN(C(=O)[C@H]2C[NH2+]CCO2)CC[N@@H+](C)CC1 ZINC001341512134 885841998 /nfs/dbraw/zinc/84/19/98/885841998.db2.gz ROQYBOQCVFARLN-GFCCVEGCSA-N 2 1 270.377 -1.319 20 0 CAADMP CCOCC[NH+]1CCN(C(=O)C[C@H](O)C[NH3+])CC1 ZINC001341644442 885848200 /nfs/dbraw/zinc/84/82/00/885848200.db2.gz GEDQZELFXOPMQM-NSHDSACASA-N 2 1 259.350 -1.123 20 0 CAADMP CCOCC[NH+]1CCN(C(=O)C[C@@H](O)C[NH3+])CC1 ZINC001341644440 885848228 /nfs/dbraw/zinc/84/82/28/885848228.db2.gz GEDQZELFXOPMQM-LLVKDONJSA-N 2 1 259.350 -1.123 20 0 CAADMP CN(C)CC(=O)NCC[NH2+]CCNC(=O)C[NH+](C)C ZINC001341636481 885851405 /nfs/dbraw/zinc/85/14/05/885851405.db2.gz RBTJVIJXGWSZMK-UHFFFAOYSA-N 2 1 273.381 -2.068 20 0 CAADMP C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)NC[C@H]1C[NH2+]CCO1 ZINC001341847106 885861501 /nfs/dbraw/zinc/86/15/01/885861501.db2.gz KAADGGASQMFALT-IJLUTSLNSA-N 2 1 268.361 -1.521 20 0 CAADMP [NH3+][C@H](CO)C(=O)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC001341922444 885863302 /nfs/dbraw/zinc/86/33/02/885863302.db2.gz CAKPEBSEQYBLQS-VWYCJHECSA-N 2 1 257.334 -1.636 20 0 CAADMP C[C@@H](NC(=O)C1(O)C[NH2+]C1)[C@H]1C[N@@H+](C)CCN1C ZINC001341939977 885864800 /nfs/dbraw/zinc/86/48/00/885864800.db2.gz AMLOMGKEIHEODF-NXEZZACHSA-N 2 1 256.350 -1.929 20 0 CAADMP COC[C@H]([NH3+])C(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCN1C ZINC001341940443 885865520 /nfs/dbraw/zinc/86/55/20/885865520.db2.gz IZMYFIINUFWAQU-DCAQKATOSA-N 2 1 258.366 -1.289 20 0 CAADMP C[NH2+]C[C@H](O)[C@@H](C)C(=O)N1CC[N@H+](C)C[C@H]1CO ZINC001342032737 885866746 /nfs/dbraw/zinc/86/67/46/885866746.db2.gz ASKVGRFEZNORMI-VWYCJHECSA-N 2 1 259.350 -1.662 20 0 CAADMP C[NH2+]C[C@H](O)[C@@H](C)C(=O)N1CC[N@@H+](C)C[C@H]1CO ZINC001342032737 885866759 /nfs/dbraw/zinc/86/67/59/885866759.db2.gz ASKVGRFEZNORMI-VWYCJHECSA-N 2 1 259.350 -1.662 20 0 CAADMP C[C@@H](NC(=O)COCC[NH3+])[C@H]1C[N@@H+](C)CCN1C ZINC001342035733 885869057 /nfs/dbraw/zinc/86/90/57/885869057.db2.gz NWZBXGYDJHQZNT-GHMZBOCLSA-N 2 1 258.366 -1.288 20 0 CAADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2COC3(C[NH2+]C3)C2)C1 ZINC001342125197 885872705 /nfs/dbraw/zinc/87/27/05/885872705.db2.gz HETFHWACHOZEHP-WDEREUQCSA-N 2 1 269.345 -1.046 20 0 CAADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2COC3(C[NH2+]C3)C2)C1 ZINC001342125197 885872722 /nfs/dbraw/zinc/87/27/22/885872722.db2.gz HETFHWACHOZEHP-WDEREUQCSA-N 2 1 269.345 -1.046 20 0 CAADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2COC3(C[NH2+]C3)C2)C1 ZINC001342125196 885872966 /nfs/dbraw/zinc/87/29/66/885872966.db2.gz HETFHWACHOZEHP-QWRGUYRKSA-N 2 1 269.345 -1.046 20 0 CAADMP CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2COC3(C[NH2+]C3)C2)C1 ZINC001342125196 885872979 /nfs/dbraw/zinc/87/29/79/885872979.db2.gz HETFHWACHOZEHP-QWRGUYRKSA-N 2 1 269.345 -1.046 20 0 CAADMP O=C(N[C@H]1C[NH2+]C[C@H]1O)[C@@H]1[NH2+]CCc2occc21 ZINC001342176609 885875348 /nfs/dbraw/zinc/87/53/48/885875348.db2.gz SDLHMXJMEFBXRR-IQJOONFLSA-N 2 1 251.286 -1.085 20 0 CAADMP [NH3+]CCNCC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC001342449512 885891326 /nfs/dbraw/zinc/89/13/26/885891326.db2.gz VDBBUNVMOAHEEF-OKILXGFUSA-N 3 1 295.431 -1.038 20 0 CAADMP [NH3+]CCNCC(=O)N1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC001342449512 885891341 /nfs/dbraw/zinc/89/13/41/885891341.db2.gz VDBBUNVMOAHEEF-OKILXGFUSA-N 2 1 295.431 -1.038 20 0 CAADMP CN1CCN(C(=O)[C@]23C[NH2+]C[C@H]2COC3)CC[N@@H+](C)CC1 ZINC001342913431 885900777 /nfs/dbraw/zinc/90/07/77/885900777.db2.gz KUUWFVXFIUTZHN-ZFWWWQNUSA-N 2 1 296.415 -1.072 20 0 CAADMP O=C(NC1C[NH2+]C1)C(=O)N1CCC[N@H+]2CCC[C@@H]2C1 ZINC001345198861 885959113 /nfs/dbraw/zinc/95/91/13/885959113.db2.gz VEZAWDNRXVCLNY-LLVKDONJSA-N 2 1 266.345 -1.229 20 0 CAADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)NCC1([NH3+])CC1 ZINC001345914305 885973039 /nfs/dbraw/zinc/97/30/39/885973039.db2.gz XGFMNQVIIROLPM-SNVBAGLBSA-N 2 1 283.376 -2.044 20 0 CAADMP C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)NC[C@@H]1C[NH+](C)CCN1C ZINC001348833181 886103287 /nfs/dbraw/zinc/10/32/87/886103287.db2.gz YPNDEAVEZIXOPI-MCIONIFRSA-N 2 1 295.431 -1.263 20 0 CAADMP C[C@@H]1CN2CC[NH+]1C[C@H]2C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC001348833181 886103293 /nfs/dbraw/zinc/10/32/93/886103293.db2.gz YPNDEAVEZIXOPI-MCIONIFRSA-N 2 1 295.431 -1.263 20 0 CAADMP C[C@@H]1CN2CC[NH+]1C[C@H]2C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC001348833181 886103298 /nfs/dbraw/zinc/10/32/98/886103298.db2.gz YPNDEAVEZIXOPI-MCIONIFRSA-N 2 1 295.431 -1.263 20 0 CAADMP NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)COCC[NH3+])C1 ZINC001349457694 886129665 /nfs/dbraw/zinc/12/96/65/886129665.db2.gz HMNBBWMITMWOPQ-NSHDSACASA-N 2 1 286.376 -1.335 20 0 CAADMP C[NH2+]C[C@H](C)NC(=O)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC001350330994 886164903 /nfs/dbraw/zinc/16/49/03/886164903.db2.gz CDDKNUYUEDNXAA-WDEREUQCSA-N 2 1 285.392 -1.928 20 0 CAADMP C[NH2+]CCOCC[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC001351680325 886223157 /nfs/dbraw/zinc/22/31/57/886223157.db2.gz VDXUPZOTOJTZGY-UHFFFAOYSA-N 3 1 258.366 -1.414 20 0 CAADMP C[NH2+]CCOCC[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC001351680325 886223175 /nfs/dbraw/zinc/22/31/75/886223175.db2.gz VDXUPZOTOJTZGY-UHFFFAOYSA-N 3 1 258.366 -1.414 20 0 CAADMP O=C(CN1CC[NH2+]CC[NH2+]CC1)NC[C@H]1CCCO1 ZINC001350909369 886189188 /nfs/dbraw/zinc/18/91/88/886189188.db2.gz IKZVHRVFEAMTEQ-GFCCVEGCSA-N 2 1 270.377 -1.224 20 0 CAADMP C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC001353005283 886257243 /nfs/dbraw/zinc/25/72/43/886257243.db2.gz QRPLKERWUSLSCR-UPJWGTAASA-N 2 1 281.404 -1.524 20 0 CAADMP C[C@H]([NH3+])CCNC(=O)C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC001353047428 886259446 /nfs/dbraw/zinc/25/94/46/886259446.db2.gz DUOOANBPCPPNNN-QWRGUYRKSA-N 2 1 285.392 -1.798 20 0 CAADMP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC001353263085 886270983 /nfs/dbraw/zinc/27/09/83/886270983.db2.gz NWSCEEDLAODKRK-UTUOFQBUSA-N 2 1 297.403 -1.704 20 0 CAADMP C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N1CCO[C@H](C[NH3+])C1 ZINC001353613203 886286531 /nfs/dbraw/zinc/28/65/31/886286531.db2.gz LZKQFCCGJSDDFX-IJLUTSLNSA-N 2 1 268.361 -1.439 20 0 CAADMP C[NH2+]C[C@@](C)(O)C[N@@H+]1CC[C@H](CS(N)(=O)=O)C1 ZINC001354184978 886302017 /nfs/dbraw/zinc/30/20/17/886302017.db2.gz OIJRKGSFAGYPJH-VHSXEESVSA-N 2 1 265.379 -1.433 20 0 CAADMP C[NH2+]C[C@@](C)(O)C[N@H+]1CC[C@H](CS(N)(=O)=O)C1 ZINC001354184978 886302036 /nfs/dbraw/zinc/30/20/36/886302036.db2.gz OIJRKGSFAGYPJH-VHSXEESVSA-N 2 1 265.379 -1.433 20 0 CAADMP C[NH2+][C@H](C(=O)NCC1(O)C[NH2+]C1)c1cnn(C)c1 ZINC001354223493 886304681 /nfs/dbraw/zinc/30/46/81/886304681.db2.gz MNNZULREQCZSOI-VIFPVBQESA-N 2 1 253.306 -1.869 20 0 CAADMP [NH3+]C1(C(=O)NC[C@@]2(CO)COC[C@@H]3CCC[N@H+]32)CC1 ZINC001356403016 886364516 /nfs/dbraw/zinc/36/45/16/886364516.db2.gz WRSHAASGAQQZID-CMPLNLGQSA-N 2 1 269.345 -1.180 20 0 CAADMP C[NH2+]C[C@H](O)[C@H](C)C(=O)NCC[N@@H+](C)CCOC ZINC001357391676 886403894 /nfs/dbraw/zinc/40/38/94/886403894.db2.gz KZTAOFUVCFWJHU-QWRGUYRKSA-N 2 1 261.366 -1.103 20 0 CAADMP C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)NCCN1CCC([NH3+])CC1 ZINC001358112360 886420800 /nfs/dbraw/zinc/42/08/00/886420800.db2.gz YQNPABBJTSGWAP-TZMCWYRMSA-N 2 1 295.431 -1.086 20 0 CAADMP [NH3+]CCNCC(=O)NCCCCC[NH+]1CCNCC1 ZINC001358213910 886421374 /nfs/dbraw/zinc/42/13/74/886421374.db2.gz MNJLLNZRFMLFAT-UHFFFAOYSA-N 2 1 271.409 -1.274 20 0 CAADMP C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)NCCN1CCC([NH3+])CC1 ZINC001358112358 886421840 /nfs/dbraw/zinc/42/18/40/886421840.db2.gz YQNPABBJTSGWAP-OCCSQVGLSA-N 2 1 295.431 -1.086 20 0 CAADMP C[NH2+]C[C@@H](O)[C@H](C)C(=O)N1CCN(C)CC[N@@H+](C)CC1 ZINC001358444735 886427512 /nfs/dbraw/zinc/42/75/12/886427512.db2.gz ONZKETUAYJJXMP-QWHCGFSZSA-N 2 1 286.420 -1.091 20 0 CAADMP Cn1c[nH+]cc1CCC[NH+]1C[C@H](C(N)=O)[C@@H](C(N)=O)C1 ZINC001364449528 887089448 /nfs/dbraw/zinc/08/94/48/887089448.db2.gz BXFCVXULXKJFKI-QWRGUYRKSA-N 2 1 279.344 -1.129 20 0 CAADMP C[NH+]1CCC(NC(=O)C[N@H+]2C[C@H](CO)[C@H](CO)C2)CC1 ZINC001364488202 887094527 /nfs/dbraw/zinc/09/45/27/887094527.db2.gz CDXOLBMHISLXBY-TXEJJXNPSA-N 2 1 285.388 -1.271 20 0 CAADMP C[NH+]1CCC(O)(C[NH2+]Cc2cn(CC(N)=O)nn2)CC1 ZINC001365361459 887198275 /nfs/dbraw/zinc/19/82/75/887198275.db2.gz JSIROQZWHUMZEA-UHFFFAOYSA-N 2 1 282.348 -1.690 20 0 CAADMP CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001366110407 887271096 /nfs/dbraw/zinc/27/10/96/887271096.db2.gz QPADRVMJHCFUTE-IJLUTSLNSA-N 2 1 298.387 -1.310 20 0 CAADMP CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001366110407 887271110 /nfs/dbraw/zinc/27/11/10/887271110.db2.gz QPADRVMJHCFUTE-IJLUTSLNSA-N 2 1 298.387 -1.310 20 0 CAADMP CNC(=O)NC(=O)C[NH2+][C@H](C)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001366314398 887290444 /nfs/dbraw/zinc/29/04/44/887290444.db2.gz YNSNQLZQMHBVRK-NXEZZACHSA-N 2 1 299.375 -1.370 20 0 CAADMP CC[N@@H+]1CCO[C@@H](C(=O)N2CC[C@H](C[NH2+]CC(N)=O)C2)C1 ZINC001366405858 887299396 /nfs/dbraw/zinc/29/93/96/887299396.db2.gz DKIILYQZVVKYMQ-VXGBXAGGSA-N 2 1 298.387 -1.370 20 0 CAADMP CC[N@H+]1CCO[C@@H](C(=O)N2CC[C@H](C[NH2+]CC(N)=O)C2)C1 ZINC001366405858 887299414 /nfs/dbraw/zinc/29/94/14/887299414.db2.gz DKIILYQZVVKYMQ-VXGBXAGGSA-N 2 1 298.387 -1.370 20 0 CAADMP C[C@@H]([NH2+]CCN(C)C(=O)[C@@H]1C[N@H+](C)CCO1)C(N)=O ZINC001366766145 887333800 /nfs/dbraw/zinc/33/38/00/887333800.db2.gz VNCBEGPPCNSZDL-ZJUUUORDSA-N 2 1 272.349 -1.761 20 0 CAADMP C[C@@H]([NH2+]CCN(C)C(=O)[C@@H]1C[N@@H+](C)CCO1)C(N)=O ZINC001366766145 887333807 /nfs/dbraw/zinc/33/38/07/887333807.db2.gz VNCBEGPPCNSZDL-ZJUUUORDSA-N 2 1 272.349 -1.761 20 0 CAADMP CC[C@@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)[NH2+]CC(=O)NC ZINC001367086862 887365396 /nfs/dbraw/zinc/36/53/96/887365396.db2.gz GTGWQZXXMWUFHJ-WDEREUQCSA-N 2 1 286.376 -1.453 20 0 CAADMP CC[C@@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)[NH2+]CC(=O)NC ZINC001367086862 887365414 /nfs/dbraw/zinc/36/54/14/887365414.db2.gz GTGWQZXXMWUFHJ-WDEREUQCSA-N 2 1 286.376 -1.453 20 0 CAADMP CC[C@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)[NH2+]CC(=O)NC ZINC001367086746 887367830 /nfs/dbraw/zinc/36/78/30/887367830.db2.gz GTGWQZXXMWUFHJ-GHMZBOCLSA-N 2 1 286.376 -1.453 20 0 CAADMP CC[C@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)[NH2+]CC(=O)NC ZINC001367086746 887367841 /nfs/dbraw/zinc/36/78/41/887367841.db2.gz GTGWQZXXMWUFHJ-GHMZBOCLSA-N 2 1 286.376 -1.453 20 0 CAADMP CNC(=O)C[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001367576451 887395344 /nfs/dbraw/zinc/39/53/44/887395344.db2.gz HJCVEJWUQIGUMJ-UWVGGRQHSA-N 2 1 272.349 -2.107 20 0 CAADMP Cc1c[nH+]cn1CC(=O)NC[C@H](O)C[NH2+]C[C@H](C)O ZINC001367606596 887409178 /nfs/dbraw/zinc/40/91/78/887409178.db2.gz YBPACKJEGPIPIP-WDEREUQCSA-N 2 1 270.333 -1.361 20 0 CAADMP Cc1c[nH+]cn1CC(=O)NC[C@@H](O)C[NH2+]C[C@@H](C)O ZINC001367606573 887409434 /nfs/dbraw/zinc/40/94/34/887409434.db2.gz YBPACKJEGPIPIP-MNOVXSKESA-N 2 1 270.333 -1.361 20 0 CAADMP Cn1nnnc1C[NH2+]C[C@H](O)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001367623380 887413274 /nfs/dbraw/zinc/41/32/74/887413274.db2.gz KMSLNEHUYKTLRU-ZJUUUORDSA-N 2 1 297.363 -2.272 20 0 CAADMP Cn1nnnc1C[NH2+]C[C@H](O)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001367623380 887413280 /nfs/dbraw/zinc/41/32/80/887413280.db2.gz KMSLNEHUYKTLRU-ZJUUUORDSA-N 2 1 297.363 -2.272 20 0 CAADMP CCC[N@@H+](C)CC(=O)NC[C@@H](O)C[NH2+][C@H]1CCNC1=O ZINC001367624530 887413386 /nfs/dbraw/zinc/41/33/86/887413386.db2.gz RALVKZXKMNRRRU-QWRGUYRKSA-N 2 1 286.376 -1.717 20 0 CAADMP CC[C@@H](C(=O)NC[C@@H](O)C[NH2+]Cc1nnnn1C)[NH+](C)C ZINC001367614410 887413450 /nfs/dbraw/zinc/41/34/50/887413450.db2.gz FJSJUOJZIOGVAE-UWVGGRQHSA-N 2 1 299.379 -1.883 20 0 CAADMP CNC(=O)[C@@H](C)[NH2+]C1(CNC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001367988321 887444987 /nfs/dbraw/zinc/44/49/87/887444987.db2.gz BNAVTBYRFPSGIF-GHMZBOCLSA-N 2 1 298.387 -1.310 20 0 CAADMP CNC(=O)[C@@H](C)[NH2+]C1(CNC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001367988321 887445000 /nfs/dbraw/zinc/44/50/00/887445000.db2.gz BNAVTBYRFPSGIF-GHMZBOCLSA-N 2 1 298.387 -1.310 20 0 CAADMP CNC(=O)C[NH2+]C1(CNC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001367990178 887446490 /nfs/dbraw/zinc/44/64/90/887446490.db2.gz IMVLWYQISZFOTA-JTQLQIEISA-N 2 1 284.360 -1.699 20 0 CAADMP CNC(=O)C[NH2+]C1(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001367990178 887446500 /nfs/dbraw/zinc/44/65/00/887446500.db2.gz IMVLWYQISZFOTA-JTQLQIEISA-N 2 1 284.360 -1.699 20 0 CAADMP C[N@H+]1CC[C@H](C(=O)NC[C@@]2(O)CC[NH+](CCCO)C2)C1 ZINC001368291601 887470242 /nfs/dbraw/zinc/47/02/42/887470242.db2.gz WYIMGJNSSIRVRS-JSGCOSHPSA-N 2 1 285.388 -1.127 20 0 CAADMP C[NH+]1CC[C@H](C(=O)NC[C@@]2(O)CC[N@H+](CCCO)C2)C1 ZINC001368291601 887470248 /nfs/dbraw/zinc/47/02/48/887470248.db2.gz WYIMGJNSSIRVRS-JSGCOSHPSA-N 2 1 285.388 -1.127 20 0 CAADMP C[NH+]1CC[C@H](C(=O)NC[C@@]2(O)CC[N@@H+](CCCO)C2)C1 ZINC001368291601 887470252 /nfs/dbraw/zinc/47/02/52/887470252.db2.gz WYIMGJNSSIRVRS-JSGCOSHPSA-N 2 1 285.388 -1.127 20 0 CAADMP O=C(C[NH+]1CCCC1)NC[C@@]1(O)CC[N@H+](CCO)C1 ZINC001368290374 887471255 /nfs/dbraw/zinc/47/12/55/887471255.db2.gz UOPNDYKZNHZYKF-ZDUSSCGKSA-N 2 1 271.361 -1.373 20 0 CAADMP C[N@H+]1CCC[C@H]1C(=O)N1CCC(O)(C[NH2+]CC(N)=O)CC1 ZINC001368679047 887498274 /nfs/dbraw/zinc/49/82/74/887498274.db2.gz OHNYDXGEZBATPR-NSHDSACASA-N 2 1 298.387 -1.491 20 0 CAADMP C[N@H+]1CC[C@@H](C(=O)NC2(CO)CC[NH+](CCO)CC2)C1 ZINC001368782070 887499743 /nfs/dbraw/zinc/49/97/43/887499743.db2.gz ZOETVPXTSZOAGA-GFCCVEGCSA-N 2 1 285.388 -1.127 20 0 CAADMP C[C@@H](NC(=O)CC[NH+]1CCOCC1)[C@@H](C)[NH2+]CC(N)=O ZINC001368874188 887504905 /nfs/dbraw/zinc/50/49/05/887504905.db2.gz IDYSVGRBAKSMKQ-GHMZBOCLSA-N 2 1 286.376 -1.323 20 0 CAADMP C[C@@H]([NH2+]CC(N)=O)[C@H](C)NC(=O)CC[NH+]1CCOCC1 ZINC001368874193 887507270 /nfs/dbraw/zinc/50/72/70/887507270.db2.gz IDYSVGRBAKSMKQ-MNOVXSKESA-N 2 1 286.376 -1.323 20 0 CAADMP Cn1nncc1C[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001369325866 887543244 /nfs/dbraw/zinc/54/32/44/887543244.db2.gz ZNALBFLMKSQAKK-PWSUYJOCSA-N 2 1 296.375 -1.524 20 0 CAADMP Cn1nncc1C[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001369325866 887543261 /nfs/dbraw/zinc/54/32/61/887543261.db2.gz ZNALBFLMKSQAKK-PWSUYJOCSA-N 2 1 296.375 -1.524 20 0 CAADMP Cn1nncc1C[NH2+][C@H](CO)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001369325862 887543546 /nfs/dbraw/zinc/54/35/46/887543546.db2.gz ZNALBFLMKSQAKK-CMPLNLGQSA-N 2 1 296.375 -1.524 20 0 CAADMP Cn1nncc1C[NH2+][C@H](CO)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001369325862 887543561 /nfs/dbraw/zinc/54/35/61/887543561.db2.gz ZNALBFLMKSQAKK-CMPLNLGQSA-N 2 1 296.375 -1.524 20 0 CAADMP Cn1cc(C[NH2+][C@@H](CO)CNC(=O)[C@@H]2CC[N@@H+](C)C2)cn1 ZINC001369388896 887566087 /nfs/dbraw/zinc/56/60/87/887566087.db2.gz WXLAAHCMPXSATF-CHWSQXEVSA-N 2 1 295.387 -1.062 20 0 CAADMP CN(C[C@@H](O)C[NH2+]Cc1cnon1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001369487526 887576536 /nfs/dbraw/zinc/57/65/36/887576536.db2.gz VRQMAEYXTCRHHA-JQWIXIFHSA-N 2 1 297.359 -1.070 20 0 CAADMP CN(C[C@@H](O)C[NH2+]Cc1cnon1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001369487526 887576548 /nfs/dbraw/zinc/57/65/48/887576548.db2.gz VRQMAEYXTCRHHA-JQWIXIFHSA-N 2 1 297.359 -1.070 20 0 CAADMP CNC(=O)C[NH2+]C[C@H](O)CN(C)C(=O)C[N@@H+](C)C(C)C ZINC001369490852 887579313 /nfs/dbraw/zinc/57/93/13/887579313.db2.gz QNWVSLXIDGEAQR-NSHDSACASA-N 2 1 288.392 -1.519 20 0 CAADMP CN(C[C@H](O)C[NH2+]Cc1cnon1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001369487522 887579373 /nfs/dbraw/zinc/57/93/73/887579373.db2.gz VRQMAEYXTCRHHA-CMPLNLGQSA-N 2 1 297.359 -1.070 20 0 CAADMP CN(C[C@H](O)C[NH2+]Cc1cnon1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001369487522 887579389 /nfs/dbraw/zinc/57/93/89/887579389.db2.gz VRQMAEYXTCRHHA-CMPLNLGQSA-N 2 1 297.359 -1.070 20 0 CAADMP CN(C[C@@H](O)C[NH2+]Cc1cnon1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001369487529 887579458 /nfs/dbraw/zinc/57/94/58/887579458.db2.gz VRQMAEYXTCRHHA-PWSUYJOCSA-N 2 1 297.359 -1.070 20 0 CAADMP CN(C[C@@H](O)C[NH2+]Cc1cnon1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001369487529 887579468 /nfs/dbraw/zinc/57/94/68/887579468.db2.gz VRQMAEYXTCRHHA-PWSUYJOCSA-N 2 1 297.359 -1.070 20 0 CAADMP C[C@@H]1[C@H](C(=O)N(C)C[C@H](O)C[NH2+]CC(N)=O)CC[N@H+]1C ZINC001369476185 887579492 /nfs/dbraw/zinc/57/94/92/887579492.db2.gz ZILOPAZLYPCVPR-GMTAPVOTSA-N 2 1 286.376 -1.779 20 0 CAADMP CC[C@H](C(=O)N(C)C[C@@H](O)C[N@H+](C)CC(N)=O)[NH+](C)C ZINC001369513564 887581183 /nfs/dbraw/zinc/58/11/83/887581183.db2.gz MQSYHNSSHYKEDO-WDEREUQCSA-N 2 1 288.392 -1.437 20 0 CAADMP CC[C@H](C(=O)N(C)C[C@@H](O)C[N@@H+](C)CC(N)=O)[NH+](C)C ZINC001369513564 887581190 /nfs/dbraw/zinc/58/11/90/887581190.db2.gz MQSYHNSSHYKEDO-WDEREUQCSA-N 2 1 288.392 -1.437 20 0 CAADMP CC[C@@H](C(=O)N(C)C[C@H](O)C[N@H+](C)CC(N)=O)[NH+](C)C ZINC001369513558 887582811 /nfs/dbraw/zinc/58/28/11/887582811.db2.gz MQSYHNSSHYKEDO-MNOVXSKESA-N 2 1 288.392 -1.437 20 0 CAADMP CC[C@@H](C(=O)N(C)C[C@H](O)C[N@@H+](C)CC(N)=O)[NH+](C)C ZINC001369513558 887582820 /nfs/dbraw/zinc/58/28/20/887582820.db2.gz MQSYHNSSHYKEDO-MNOVXSKESA-N 2 1 288.392 -1.437 20 0 CAADMP CNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001370438298 887608013 /nfs/dbraw/zinc/60/80/13/887608013.db2.gz HKAZKGSAYNVHCQ-GMTAPVOTSA-N 2 1 284.360 -1.700 20 0 CAADMP CNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001370438298 887608029 /nfs/dbraw/zinc/60/80/29/887608029.db2.gz HKAZKGSAYNVHCQ-GMTAPVOTSA-N 2 1 284.360 -1.700 20 0 CAADMP Cc1c[nH+]cn1CC(=O)NC[C@H](C)[NH2+]CC(=O)NC(N)=O ZINC001371296833 887656900 /nfs/dbraw/zinc/65/69/00/887656900.db2.gz DOZKVJXDSMWVAB-QMMMGPOBSA-N 2 1 296.331 -1.519 20 0 CAADMP C[C@H](C(=O)NC(N)=O)[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001373601541 887754189 /nfs/dbraw/zinc/75/41/89/887754189.db2.gz QJIWWCMFQLZXQK-ZJUUUORDSA-N 2 1 299.375 -1.288 20 0 CAADMP C[C@H](C(=O)NC(N)=O)[N@H+]1CC[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001373601541 887754201 /nfs/dbraw/zinc/75/42/01/887754201.db2.gz QJIWWCMFQLZXQK-ZJUUUORDSA-N 2 1 299.375 -1.288 20 0 CAADMP Cn1cc(C[NH2+]C[C@@H](O)CNC(=O)[C@H]2CCC[N@@H+]2C)nn1 ZINC001374592344 887804228 /nfs/dbraw/zinc/80/42/28/887804228.db2.gz UOUQXSMJEKPQKZ-VXGBXAGGSA-N 2 1 296.375 -1.524 20 0 CAADMP Cn1cc(C[NH2+]C[C@@H](O)CNC(=O)[C@H]2CCC[N@H+]2C)nn1 ZINC001374592344 887804241 /nfs/dbraw/zinc/80/42/41/887804241.db2.gz UOUQXSMJEKPQKZ-VXGBXAGGSA-N 2 1 296.375 -1.524 20 0 CAADMP Cn1nncc1C[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001374592164 887805140 /nfs/dbraw/zinc/80/51/40/887805140.db2.gz UCFAAJOLQQDLIQ-VXGBXAGGSA-N 2 1 296.375 -1.524 20 0 CAADMP Cn1nncc1C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001374592151 887805793 /nfs/dbraw/zinc/80/57/93/887805793.db2.gz UCFAAJOLQQDLIQ-NEPJUHHUSA-N 2 1 296.375 -1.524 20 0 CAADMP CC[C@H](C(=O)NC[C@H](O)C[NH2+]Cc1nncn1C)[NH+](C)C ZINC001374616686 887815706 /nfs/dbraw/zinc/81/57/06/887815706.db2.gz TZXLUQHWRLRNHD-GHMZBOCLSA-N 2 1 298.391 -1.278 20 0 CAADMP CN(C)C(=O)C[NH2+]C[C@H](O)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001374631525 887817560 /nfs/dbraw/zinc/81/75/60/887817560.db2.gz CQOARBDSFVBULM-WDEREUQCSA-N 2 1 286.376 -1.765 20 0 CAADMP CC[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc1nncn1C)[NH+](C)C ZINC001374616687 887817590 /nfs/dbraw/zinc/81/75/90/887817590.db2.gz TZXLUQHWRLRNHD-WDEREUQCSA-N 2 1 298.391 -1.278 20 0 CAADMP COC[C@H](O)C[NH2+]C[C@H](O)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001374632265 887819145 /nfs/dbraw/zinc/81/91/45/887819145.db2.gz IXLVTTQAFGWNLJ-QJPTWQEYSA-N 2 1 289.376 -1.845 20 0 CAADMP COC[C@H](O)C[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001374632261 887819444 /nfs/dbraw/zinc/81/94/44/887819444.db2.gz IXLVTTQAFGWNLJ-IJLUTSLNSA-N 2 1 289.376 -1.845 20 0 CAADMP C[NH+](C)CCC(=O)NC[C@@H](O)C[NH2+]Cc1ncccn1 ZINC001374644298 887823604 /nfs/dbraw/zinc/82/36/04/887823604.db2.gz VLUKRLABBDODIK-NSHDSACASA-N 2 1 281.360 -1.005 20 0 CAADMP CNC(=O)C[NH2+]C[C@@H](O)CNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001374650592 887824216 /nfs/dbraw/zinc/82/42/16/887824216.db2.gz FIDJMJJOWJAQFG-GHMZBOCLSA-N 2 1 286.376 -1.859 20 0 CAADMP CNC(=O)C[NH2+]C[C@@H](O)CNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001374650606 887825103 /nfs/dbraw/zinc/82/51/03/887825103.db2.gz FIDJMJJOWJAQFG-WDEREUQCSA-N 2 1 286.376 -1.859 20 0 CAADMP Cn1ncc(C[NH2+]C[C@@H](O)CNC(=O)[C@@H]2CC[N@H+](C)C2)n1 ZINC001374679321 887831116 /nfs/dbraw/zinc/83/11/16/887831116.db2.gz XOXDJMBCVIREMS-ZYHUDNBSSA-N 2 1 296.375 -1.667 20 0 CAADMP Cn1ncc(C[NH2+]C[C@@H](O)CNC(=O)[C@@H]2CC[N@@H+](C)C2)n1 ZINC001374679321 887831123 /nfs/dbraw/zinc/83/11/23/887831123.db2.gz XOXDJMBCVIREMS-ZYHUDNBSSA-N 2 1 296.375 -1.667 20 0 CAADMP C[NH+](C)CCC(=O)NC1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001374754920 887842142 /nfs/dbraw/zinc/84/21/42/887842142.db2.gz MJGBQMLRJMYCOM-LBPRGKRZSA-N 2 1 298.387 -1.404 20 0 CAADMP C[NH+](C)CCC(=O)NC1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001374754920 887842157 /nfs/dbraw/zinc/84/21/57/887842157.db2.gz MJGBQMLRJMYCOM-LBPRGKRZSA-N 2 1 298.387 -1.404 20 0 CAADMP C[N@H+]1CCC[C@@H]1C(=O)NCC1([NH2+]CC(=O)NC(N)=O)CC1 ZINC001375402021 887874483 /nfs/dbraw/zinc/87/44/83/887874483.db2.gz HAXUQPWNFPNOOD-SECBINFHSA-N 2 1 297.359 -1.486 20 0 CAADMP C[N@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CC(=O)NC(N)=O)CC1 ZINC001375402102 887875563 /nfs/dbraw/zinc/87/55/63/887875563.db2.gz HAXUQPWNFPNOOD-VIFPVBQESA-N 2 1 297.359 -1.486 20 0 CAADMP CC[N@@H+]1CC[C@@](O)(CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001376018700 887897608 /nfs/dbraw/zinc/89/76/08/887897608.db2.gz ZNDLEDIQFCTXPM-WCQYABFASA-N 2 1 271.361 -1.110 20 0 CAADMP CC[N@H+]1CC[C@@](O)(CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001376018700 887897617 /nfs/dbraw/zinc/89/76/17/887897617.db2.gz ZNDLEDIQFCTXPM-WCQYABFASA-N 2 1 271.361 -1.110 20 0 CAADMP CC[NH+]1CC[C@@](O)(CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001376018700 887897626 /nfs/dbraw/zinc/89/76/26/887897626.db2.gz ZNDLEDIQFCTXPM-WCQYABFASA-N 2 1 271.361 -1.110 20 0 CAADMP CC[NH+]1CC[C@@](O)(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001376018700 887897629 /nfs/dbraw/zinc/89/76/29/887897629.db2.gz ZNDLEDIQFCTXPM-WCQYABFASA-N 2 1 271.361 -1.110 20 0 CAADMP CC[N@@H+]1CC[C@](O)(CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001376018692 887899132 /nfs/dbraw/zinc/89/91/32/887899132.db2.gz ZNDLEDIQFCTXPM-AAEUAGOBSA-N 2 1 271.361 -1.110 20 0 CAADMP CC[N@H+]1CC[C@](O)(CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001376018692 887899139 /nfs/dbraw/zinc/89/91/39/887899139.db2.gz ZNDLEDIQFCTXPM-AAEUAGOBSA-N 2 1 271.361 -1.110 20 0 CAADMP CC[NH+]1CC[C@](O)(CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001376018692 887899144 /nfs/dbraw/zinc/89/91/44/887899144.db2.gz ZNDLEDIQFCTXPM-AAEUAGOBSA-N 2 1 271.361 -1.110 20 0 CAADMP CC[NH+]1CC[C@](O)(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001376018692 887899152 /nfs/dbraw/zinc/89/91/52/887899152.db2.gz ZNDLEDIQFCTXPM-AAEUAGOBSA-N 2 1 271.361 -1.110 20 0 CAADMP C[N@H+]1CC[C@H](C(=O)NC[C@]2(O)CC[NH+](CCO)C2)C1 ZINC001376100074 887902795 /nfs/dbraw/zinc/90/27/95/887902795.db2.gz SOJQLBGZWUBYBZ-WCQYABFASA-N 2 1 271.361 -1.517 20 0 CAADMP C[NH+]1CC[C@H](C(=O)NC[C@]2(O)CC[N@H+](CCO)C2)C1 ZINC001376100074 887902801 /nfs/dbraw/zinc/90/28/01/887902801.db2.gz SOJQLBGZWUBYBZ-WCQYABFASA-N 2 1 271.361 -1.517 20 0 CAADMP C[NH+]1CC[C@H](C(=O)NC[C@]2(O)CC[N@@H+](CCO)C2)C1 ZINC001376100074 887902806 /nfs/dbraw/zinc/90/28/06/887902806.db2.gz SOJQLBGZWUBYBZ-WCQYABFASA-N 2 1 271.361 -1.517 20 0 CAADMP C[N@H+]1CC[C@@H](C(=O)NC[C@@]2(O)CC[NH+](CCO)C2)C1 ZINC001376100081 887902871 /nfs/dbraw/zinc/90/28/71/887902871.db2.gz SOJQLBGZWUBYBZ-YPMHNXCESA-N 2 1 271.361 -1.517 20 0 CAADMP C[NH+]1CC[C@@H](C(=O)NC[C@@]2(O)CC[N@H+](CCO)C2)C1 ZINC001376100081 887902875 /nfs/dbraw/zinc/90/28/75/887902875.db2.gz SOJQLBGZWUBYBZ-YPMHNXCESA-N 2 1 271.361 -1.517 20 0 CAADMP CCC[N@H+](C)CC(=O)NC[C@]1(O)CC[NH+](CC(N)=O)C1 ZINC001376086774 887902955 /nfs/dbraw/zinc/90/29/55/887902955.db2.gz BTQQYWBHSRNOII-CYBMUJFWSA-N 2 1 286.376 -1.634 20 0 CAADMP CCC[N@@H+](C)CC(=O)NC[C@]1(O)CC[NH+](CC(N)=O)C1 ZINC001376086774 887902959 /nfs/dbraw/zinc/90/29/59/887902959.db2.gz BTQQYWBHSRNOII-CYBMUJFWSA-N 2 1 286.376 -1.634 20 0 CAADMP CCC[NH+](C)CC(=O)NC[C@]1(O)CC[N@H+](CC(N)=O)C1 ZINC001376086774 887902966 /nfs/dbraw/zinc/90/29/66/887902966.db2.gz BTQQYWBHSRNOII-CYBMUJFWSA-N 2 1 286.376 -1.634 20 0 CAADMP CCC[NH+](C)CC(=O)NC[C@]1(O)CC[N@@H+](CC(N)=O)C1 ZINC001376086774 887902971 /nfs/dbraw/zinc/90/29/71/887902971.db2.gz BTQQYWBHSRNOII-CYBMUJFWSA-N 2 1 286.376 -1.634 20 0 CAADMP CCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001376443253 887928151 /nfs/dbraw/zinc/92/81/51/887928151.db2.gz QPADRVMJHCFUTE-TUAOUCFPSA-N 2 1 298.387 -1.310 20 0 CAADMP CCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001376443253 887928157 /nfs/dbraw/zinc/92/81/57/887928157.db2.gz QPADRVMJHCFUTE-TUAOUCFPSA-N 2 1 298.387 -1.310 20 0 CAADMP CCNC(=O)C[NH2+][C@@H](C)CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001376691680 887949588 /nfs/dbraw/zinc/94/95/88/887949588.db2.gz DAOKCKJXVHYPIS-QWRGUYRKSA-N 2 1 286.376 -1.453 20 0 CAADMP CCNC(=O)C[NH2+][C@@H](C)CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001376691680 887949598 /nfs/dbraw/zinc/94/95/98/887949598.db2.gz DAOKCKJXVHYPIS-QWRGUYRKSA-N 2 1 286.376 -1.453 20 0 CAADMP CNC(=O)C[NH2+][C@H](C)CCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001377022738 887973242 /nfs/dbraw/zinc/97/32/42/887973242.db2.gz JUWMUFVJNITXER-GHMZBOCLSA-N 2 1 286.376 -1.453 20 0 CAADMP CNC(=O)C[NH2+][C@H](C)CCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001377022738 887973248 /nfs/dbraw/zinc/97/32/48/887973248.db2.gz JUWMUFVJNITXER-GHMZBOCLSA-N 2 1 286.376 -1.453 20 0 CAADMP CC[N@@H+]1CCO[C@@H](C(=O)NCC[C@@H](C)[NH2+]CC(N)=O)C1 ZINC001377102517 887974640 /nfs/dbraw/zinc/97/46/40/887974640.db2.gz AKWMTDGVWAAVDT-GHMZBOCLSA-N 2 1 286.376 -1.323 20 0 CAADMP CC[N@H+]1CCO[C@@H](C(=O)NCC[C@@H](C)[NH2+]CC(N)=O)C1 ZINC001377102517 887974653 /nfs/dbraw/zinc/97/46/53/887974653.db2.gz AKWMTDGVWAAVDT-GHMZBOCLSA-N 2 1 286.376 -1.323 20 0 CAADMP COC[C@H](O)C[N@@H+](C)CCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001377259923 887987137 /nfs/dbraw/zinc/98/71/37/887987137.db2.gz FQTODKCVTOEKFS-VXGBXAGGSA-N 2 1 273.377 -1.007 20 0 CAADMP COC[C@H](O)C[NH+](C)CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001377259923 887987149 /nfs/dbraw/zinc/98/71/49/887987149.db2.gz FQTODKCVTOEKFS-VXGBXAGGSA-N 2 1 273.377 -1.007 20 0 CAADMP COC[C@H](O)C[NH+](C)CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001377259923 887987152 /nfs/dbraw/zinc/98/71/52/887987152.db2.gz FQTODKCVTOEKFS-VXGBXAGGSA-N 2 1 273.377 -1.007 20 0 CAADMP C[C@@H](C(=O)NC(N)=O)[N@H+](C)CCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001377262848 887987243 /nfs/dbraw/zinc/98/72/43/887987243.db2.gz ZNZDCAWLLNIEQX-VHSXEESVSA-N 2 1 299.375 -1.431 20 0 CAADMP C[C@@H](C(=O)NC(N)=O)[N@@H+](C)CCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001377262848 887987254 /nfs/dbraw/zinc/98/72/54/887987254.db2.gz ZNZDCAWLLNIEQX-VHSXEESVSA-N 2 1 299.375 -1.431 20 0 CAADMP C[C@@H](C(=O)NC(N)=O)[NH+](C)CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001377262848 887987265 /nfs/dbraw/zinc/98/72/65/887987265.db2.gz ZNZDCAWLLNIEQX-VHSXEESVSA-N 2 1 299.375 -1.431 20 0 CAADMP C[C@@H](C(=O)NC(N)=O)[NH+](C)CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001377262848 887987274 /nfs/dbraw/zinc/98/72/74/887987274.db2.gz ZNZDCAWLLNIEQX-VHSXEESVSA-N 2 1 299.375 -1.431 20 0 CAADMP C[NH+](C)CCC(=O)NCC[N@H+](CC(=O)NC(N)=O)C1CC1 ZINC001377547863 888002215 /nfs/dbraw/zinc/00/22/15/888002215.db2.gz PUYDFCPTZMFSDV-UHFFFAOYSA-N 2 1 299.375 -1.286 20 0 CAADMP C[NH+](C)CCC(=O)NCC[N@@H+](CC(=O)NC(N)=O)C1CC1 ZINC001377547863 888002227 /nfs/dbraw/zinc/00/22/27/888002227.db2.gz PUYDFCPTZMFSDV-UHFFFAOYSA-N 2 1 299.375 -1.286 20 0 CAADMP C[N@@H+]1CCO[C@H](C(=O)NC2CC(C[NH2+]CC(N)=O)C2)C1 ZINC001377692010 888008254 /nfs/dbraw/zinc/00/82/54/888008254.db2.gz AXSSGRMPUIVSLV-ILDUYXDCSA-N 2 1 284.360 -1.713 20 0 CAADMP C[N@H+]1CCO[C@H](C(=O)NC2CC(C[NH2+]CC(N)=O)C2)C1 ZINC001377692010 888008266 /nfs/dbraw/zinc/00/82/66/888008266.db2.gz AXSSGRMPUIVSLV-ILDUYXDCSA-N 2 1 284.360 -1.713 20 0 CAADMP C[N@H+]1CC[C@H](C(=O)N[C@H]2CCN(CC(=O)NC(N)=O)C2)C1 ZINC001378082908 888034474 /nfs/dbraw/zinc/03/44/74/888034474.db2.gz LFUKJJUAYLRFMX-UWVGGRQHSA-N 2 1 297.359 -1.677 20 0 CAADMP CN(C(=O)CC[NH+](C)C)[C@H]1CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001378165526 888039920 /nfs/dbraw/zinc/03/99/20/888039920.db2.gz MWVCMHHPLUGBKD-JTQLQIEISA-N 2 1 299.375 -1.334 20 0 CAADMP CN(C(=O)CC[NH+](C)C)[C@H]1CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001378165526 888039925 /nfs/dbraw/zinc/03/99/25/888039925.db2.gz MWVCMHHPLUGBKD-JTQLQIEISA-N 2 1 299.375 -1.334 20 0 CAADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H](C[NH2+]CC(N)=O)C2)C1 ZINC001378875384 888073858 /nfs/dbraw/zinc/07/38/58/888073858.db2.gz HZMMMURBUPBQNX-SRVKXCTJSA-N 2 1 298.387 -1.323 20 0 CAADMP CC[N@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H](C[NH2+]CC(N)=O)C2)C1 ZINC001378875384 888073874 /nfs/dbraw/zinc/07/38/74/888073874.db2.gz HZMMMURBUPBQNX-SRVKXCTJSA-N 2 1 298.387 -1.323 20 0 CAADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H](C[NH2+]CC(N)=O)C2)C1 ZINC001378875378 888074311 /nfs/dbraw/zinc/07/43/11/888074311.db2.gz HZMMMURBUPBQNX-IJLUTSLNSA-N 2 1 298.387 -1.323 20 0 CAADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H](C[NH2+]CC(N)=O)C2)C1 ZINC001378875378 888074327 /nfs/dbraw/zinc/07/43/27/888074327.db2.gz HZMMMURBUPBQNX-IJLUTSLNSA-N 2 1 298.387 -1.323 20 0 CAADMP C[N@@H+]1CCO[C@H](C(=O)NC[C@@H](O)C[NH2+]CC(N)=O)C1 ZINC001379173719 888091728 /nfs/dbraw/zinc/09/17/28/888091728.db2.gz AAMOCLVKEINPJQ-IUCAKERBSA-N 2 1 274.321 -3.131 20 0 CAADMP C[N@H+]1CCO[C@H](C(=O)NC[C@@H](O)C[NH2+]CC(N)=O)C1 ZINC001379173719 888091741 /nfs/dbraw/zinc/09/17/41/888091741.db2.gz AAMOCLVKEINPJQ-IUCAKERBSA-N 2 1 274.321 -3.131 20 0 CAADMP C[N@@H+]1CCO[C@@H](C(=O)NC[C@@H](O)C[NH2+]CC(N)=O)C1 ZINC001379173717 888092952 /nfs/dbraw/zinc/09/29/52/888092952.db2.gz AAMOCLVKEINPJQ-DTWKUNHWSA-N 2 1 274.321 -3.131 20 0 CAADMP C[N@H+]1CCO[C@@H](C(=O)NC[C@@H](O)C[NH2+]CC(N)=O)C1 ZINC001379173717 888092968 /nfs/dbraw/zinc/09/29/68/888092968.db2.gz AAMOCLVKEINPJQ-DTWKUNHWSA-N 2 1 274.321 -3.131 20 0 CAADMP CNC(=O)C[NH2+]C[C@@H](O)CNC(=O)Cn1cc[nH+]c1C ZINC001379283453 888119492 /nfs/dbraw/zinc/11/94/92/888119492.db2.gz HZJMUMLNMLRSTP-SNVBAGLBSA-N 2 1 283.332 -1.996 20 0 CAADMP C[C@H](C[NH2+]CC(=O)NC(N)=O)NC(=O)[C@H]1CCCC[N@H+]1C ZINC001379383586 888133676 /nfs/dbraw/zinc/13/36/76/888133676.db2.gz BFTNUHZCYFPVAM-NXEZZACHSA-N 2 1 299.375 -1.240 20 0 CAADMP CC[C@@H]1[C@@H](C(=O)NC[C@H](CO)[NH2+]CC(N)=O)CC[N@H+]1C ZINC001379398913 888137757 /nfs/dbraw/zinc/13/77/57/888137757.db2.gz QNDBOYJHONASIH-OUAUKWLOSA-N 2 1 286.376 -1.731 20 0 CAADMP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](CO)[NH2+]CC(N)=O ZINC001379411105 888140299 /nfs/dbraw/zinc/14/02/99/888140299.db2.gz LEKWPHDVHOIFRF-QWRGUYRKSA-N 2 1 286.376 -1.587 20 0 CAADMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](CO)[NH2+]CC(N)=O ZINC001379411105 888140305 /nfs/dbraw/zinc/14/03/05/888140305.db2.gz LEKWPHDVHOIFRF-QWRGUYRKSA-N 2 1 286.376 -1.587 20 0 CAADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](CO)[NH2+]CCO ZINC001379413659 888140332 /nfs/dbraw/zinc/14/03/32/888140332.db2.gz QDTSDCWWNHZJSF-NWDGAFQWSA-N 2 1 273.377 -1.080 20 0 CAADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@H](CO)[NH2+]CCO ZINC001379413663 888140450 /nfs/dbraw/zinc/14/04/50/888140450.db2.gz QDTSDCWWNHZJSF-VXGBXAGGSA-N 2 1 273.377 -1.080 20 0 CAADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@@H](CO)[NH2+]CCO ZINC001379409755 888140539 /nfs/dbraw/zinc/14/05/39/888140539.db2.gz XFYGRVIEFLBZJM-RYUDHWBXSA-N 2 1 273.377 -1.082 20 0 CAADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](CO)[NH2+]CCO ZINC001379409751 888140775 /nfs/dbraw/zinc/14/07/75/888140775.db2.gz XFYGRVIEFLBZJM-NWDGAFQWSA-N 2 1 273.377 -1.082 20 0 CAADMP CC[C@H]([NH2+][C@H](CO)CNC(=O)Cn1c[nH+]cc1C)C(N)=O ZINC001379440502 888142835 /nfs/dbraw/zinc/14/28/35/888142835.db2.gz JHLAEEZLXVQHSO-QWRGUYRKSA-N 2 1 297.359 -1.478 20 0 CAADMP CC[C@H]([NH2+][C@@H](CO)CNC(=O)Cn1c[nH+]cc1C)C(N)=O ZINC001379440498 888143387 /nfs/dbraw/zinc/14/33/87/888143387.db2.gz JHLAEEZLXVQHSO-MNOVXSKESA-N 2 1 297.359 -1.478 20 0 CAADMP C[N@H+]1CC[C@@H](C(=O)NC[C@H](CO)[NH2+]CC(=O)NC2CC2)C1 ZINC001379524887 888160867 /nfs/dbraw/zinc/16/08/67/888160867.db2.gz GKKRJYYUJPUGFQ-ZYHUDNBSSA-N 2 1 298.387 -1.717 20 0 CAADMP Cc1[nH+]ccn1CC(=O)NC[C@H](CO)[NH2+][C@H](C)C(N)=O ZINC001379531552 888163267 /nfs/dbraw/zinc/16/32/67/888163267.db2.gz WKGQPYUQCCKHGO-PSASIEDQSA-N 2 1 283.332 -1.868 20 0 CAADMP C[C@H](C[N@H+](C)CC(=O)NC(N)=O)NC(=O)[C@H]1CC[NH+](C)C1 ZINC001379777213 888173399 /nfs/dbraw/zinc/17/33/99/888173399.db2.gz BWAINPCFUQRCJW-ZJUUUORDSA-N 2 1 299.375 -1.431 20 0 CAADMP C[C@H](C[N@@H+](C)CC(=O)NC(N)=O)NC(=O)[C@H]1CC[NH+](C)C1 ZINC001379777213 888173405 /nfs/dbraw/zinc/17/34/05/888173405.db2.gz BWAINPCFUQRCJW-ZJUUUORDSA-N 2 1 299.375 -1.431 20 0 CAADMP C[C@H](C[NH+](C)CC(=O)NC(N)=O)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001379777213 888173408 /nfs/dbraw/zinc/17/34/08/888173408.db2.gz BWAINPCFUQRCJW-ZJUUUORDSA-N 2 1 299.375 -1.431 20 0 CAADMP C[C@H](C[NH+](C)CC(=O)NC(N)=O)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001379777213 888173416 /nfs/dbraw/zinc/17/34/16/888173416.db2.gz BWAINPCFUQRCJW-ZJUUUORDSA-N 2 1 299.375 -1.431 20 0 CAADMP Cc1[nH+]ccn1CC(=O)N(C)C[C@H](O)C[NH2+]CC(N)=O ZINC001379855728 888175789 /nfs/dbraw/zinc/17/57/89/888175789.db2.gz DHWLPAWUQJHHRI-SNVBAGLBSA-N 2 1 283.332 -1.914 20 0 CAADMP Cc1[nH+]ccn1CC(=O)N(C)C[C@H](O)C[NH2+]C[C@H](C)O ZINC001379856788 888176381 /nfs/dbraw/zinc/17/63/81/888176381.db2.gz GCFYTBJJSLCEJV-CMPLNLGQSA-N 2 1 284.360 -1.019 20 0 CAADMP CN(C[C@@H](O)C[NH2+]Cc1nnnn1C)C(=O)CC[NH+](C)C ZINC001379828823 888176966 /nfs/dbraw/zinc/17/69/66/888176966.db2.gz CCOXHBUOYMUQFO-JTQLQIEISA-N 2 1 299.379 -1.929 20 0 CAADMP CN(C[C@@H](O)C[N@H+](C)CCO)C(=O)[C@H]1C[NH+](C)CCO1 ZINC001379921053 888184219 /nfs/dbraw/zinc/18/42/19/888184219.db2.gz XSLBLNDABVVMFP-NWDGAFQWSA-N 2 1 289.376 -1.940 20 0 CAADMP CN(C[C@@H](O)C[N@@H+](C)CCO)C(=O)[C@H]1C[NH+](C)CCO1 ZINC001379921053 888184228 /nfs/dbraw/zinc/18/42/28/888184228.db2.gz XSLBLNDABVVMFP-NWDGAFQWSA-N 2 1 289.376 -1.940 20 0 CAADMP CN(C[C@@H](O)C[NH+](C)CCO)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001379921053 888184240 /nfs/dbraw/zinc/18/42/40/888184240.db2.gz XSLBLNDABVVMFP-NWDGAFQWSA-N 2 1 289.376 -1.940 20 0 CAADMP CN(C[C@@H](O)C[NH+](C)CCO)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001379921053 888184251 /nfs/dbraw/zinc/18/42/51/888184251.db2.gz XSLBLNDABVVMFP-NWDGAFQWSA-N 2 1 289.376 -1.940 20 0 CAADMP C[N@@H+]1CCO[C@@H](C(=O)NCC2([NH2+][C@@H]3CCNC3=O)CC2)C1 ZINC001380065191 888190680 /nfs/dbraw/zinc/19/06/80/888190680.db2.gz TUPZLEFHHTVNQS-GHMZBOCLSA-N 2 1 296.371 -1.556 20 0 CAADMP C[N@H+]1CCO[C@@H](C(=O)NCC2([NH2+][C@@H]3CCNC3=O)CC2)C1 ZINC001380065191 888190690 /nfs/dbraw/zinc/19/06/90/888190690.db2.gz TUPZLEFHHTVNQS-GHMZBOCLSA-N 2 1 296.371 -1.556 20 0 CAADMP CCNC(=O)C[NH2+]C1(CNC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001380064026 888191690 /nfs/dbraw/zinc/19/16/90/888191690.db2.gz LZTYDWZIJPZRMQ-LLVKDONJSA-N 2 1 298.387 -1.309 20 0 CAADMP CCNC(=O)C[NH2+]C1(CNC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001380064026 888191693 /nfs/dbraw/zinc/19/16/93/888191693.db2.gz LZTYDWZIJPZRMQ-LLVKDONJSA-N 2 1 298.387 -1.309 20 0 CAADMP C[NH+](C)CCC(=O)N[C@@]1(C)CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001380353820 888201372 /nfs/dbraw/zinc/20/13/72/888201372.db2.gz IONIYYOZRCHHSZ-ZDUSSCGKSA-N 2 1 299.375 -1.286 20 0 CAADMP C[NH+](C)CCC(=O)N[C@@]1(C)CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001380353820 888201382 /nfs/dbraw/zinc/20/13/82/888201382.db2.gz IONIYYOZRCHHSZ-ZDUSSCGKSA-N 2 1 299.375 -1.286 20 0 CAADMP C[C@@H](O)C[N@H+]1CC[C@@](O)(CNC(=O)CC[NH+](C)C)C1 ZINC001380553005 888208736 /nfs/dbraw/zinc/20/87/36/888208736.db2.gz MURUQAWVPPBRHI-DGCLKSJQSA-N 2 1 273.377 -1.128 20 0 CAADMP C[C@H](O)C[N@H+]1CC[C@@](O)(CNC(=O)CC[NH+](C)C)C1 ZINC001380553006 888209115 /nfs/dbraw/zinc/20/91/15/888209115.db2.gz MURUQAWVPPBRHI-WCQYABFASA-N 2 1 273.377 -1.128 20 0 CAADMP CC[N@@H+]1CCO[C@@H](C(=O)NCC2([NH2+]CC(N)=O)CCC2)C1 ZINC001380899349 888237229 /nfs/dbraw/zinc/23/72/29/888237229.db2.gz QFBCBULGTRVGTG-LLVKDONJSA-N 2 1 298.387 -1.179 20 0 CAADMP CC[N@H+]1CCO[C@@H](C(=O)NCC2([NH2+]CC(N)=O)CCC2)C1 ZINC001380899349 888237247 /nfs/dbraw/zinc/23/72/47/888237247.db2.gz QFBCBULGTRVGTG-LLVKDONJSA-N 2 1 298.387 -1.179 20 0 CAADMP CC[N@@H+]1CCO[C@H](C(=O)NCC2([NH2+]CC(N)=O)CCC2)C1 ZINC001380899350 888237526 /nfs/dbraw/zinc/23/75/26/888237526.db2.gz QFBCBULGTRVGTG-NSHDSACASA-N 2 1 298.387 -1.179 20 0 CAADMP CC[N@H+]1CCO[C@H](C(=O)NCC2([NH2+]CC(N)=O)CCC2)C1 ZINC001380899350 888237536 /nfs/dbraw/zinc/23/75/36/888237536.db2.gz QFBCBULGTRVGTG-NSHDSACASA-N 2 1 298.387 -1.179 20 0 CAADMP C[N@H+]1CCC[C@@H]1C(=O)NC1(C[NH2+]CC(N)=O)CCOCC1 ZINC001381061977 888246229 /nfs/dbraw/zinc/24/62/29/888246229.db2.gz IVAIUXDFQHQIKE-LLVKDONJSA-N 2 1 298.387 -1.179 20 0 CAADMP C[C@@H](CCNC(=O)[C@@H]1CCC[N@H+]1C)[NH2+]CC(=O)NC(N)=O ZINC001381182414 888249119 /nfs/dbraw/zinc/24/91/19/888249119.db2.gz UGKKWNDWMQYDTR-UWVGGRQHSA-N 2 1 299.375 -1.240 20 0 CAADMP CN(C)C(=O)C[NH2+][C@H](CO)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001382184207 888288851 /nfs/dbraw/zinc/28/88/51/888288851.db2.gz NJGHVLHDYPIHFT-QWRGUYRKSA-N 2 1 286.376 -1.765 20 0 CAADMP CNC(=O)[C@@H](C)[NH2+][C@H](CO)CNC(=O)Cn1cc[nH+]c1C ZINC001382276767 888323196 /nfs/dbraw/zinc/32/31/96/888323196.db2.gz XRCMPFDWRLEVPZ-KOLCDFICSA-N 2 1 297.359 -1.607 20 0 CAADMP C[N@H+]1CC[C@H](C(=O)NC[C@@H](CO)[NH2+]CCn2cncn2)C1 ZINC001382274204 888323289 /nfs/dbraw/zinc/32/32/89/888323289.db2.gz NZCDIMVKETWADV-RYUDHWBXSA-N 2 1 296.375 -1.704 20 0 CAADMP C[N@H+]1CC[C@@H](C(=O)NC[C@H](CO)[NH2+]CCn2cncn2)C1 ZINC001382274207 888324069 /nfs/dbraw/zinc/32/40/69/888324069.db2.gz NZCDIMVKETWADV-VXGBXAGGSA-N 2 1 296.375 -1.704 20 0 CAADMP CNC(=O)[C@H](C)[NH2+][C@H](CO)CNC(=O)Cn1cc[nH+]c1C ZINC001382276769 888325922 /nfs/dbraw/zinc/32/59/22/888325922.db2.gz XRCMPFDWRLEVPZ-ONGXEEELSA-N 2 1 297.359 -1.607 20 0 CAADMP Cc1[nH+]ccn1CC(=O)NC[C@@H](CO)[NH2+]C[C@H](C)O ZINC001382275382 888326351 /nfs/dbraw/zinc/32/63/51/888326351.db2.gz SQSGTHUMCSDFGL-ONGXEEELSA-N 2 1 270.333 -1.361 20 0 CAADMP Cc1[nH+]ccn1CC(=O)NC[C@@H](CO)[NH2+]C[C@@H](C)O ZINC001382275376 888326374 /nfs/dbraw/zinc/32/63/74/888326374.db2.gz SQSGTHUMCSDFGL-KOLCDFICSA-N 2 1 270.333 -1.361 20 0 CAADMP CN(C[C@@H](O)C[NH2+]CC(N)=O)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001382378463 888342418 /nfs/dbraw/zinc/34/24/18/888342418.db2.gz BTXFVDFGIKEBQV-VHSXEESVSA-N 2 1 288.348 -2.789 20 0 CAADMP CN(C[C@@H](O)C[NH2+]CC(N)=O)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001382378463 888342430 /nfs/dbraw/zinc/34/24/30/888342430.db2.gz BTXFVDFGIKEBQV-VHSXEESVSA-N 2 1 288.348 -2.789 20 0 CAADMP CN(C[C@H](O)C[N@@H+](C)CCO)C(=O)[C@H]1CCC[NH+]1C ZINC001382470372 888359992 /nfs/dbraw/zinc/35/99/92/888359992.db2.gz DNVPJHKUCHUBOU-VXGBXAGGSA-N 2 1 273.377 -1.176 20 0 CAADMP CN(C[C@H](O)C[N@H+](C)CC(N)=O)C(=O)[C@H]1CC[NH+](C)C1 ZINC001382479731 888367191 /nfs/dbraw/zinc/36/71/91/888367191.db2.gz GXRWAWWCVQPBBR-WDEREUQCSA-N 2 1 286.376 -1.826 20 0 CAADMP CN(C[C@H](O)C[N@@H+](C)CC(N)=O)C(=O)[C@H]1CC[NH+](C)C1 ZINC001382479731 888367198 /nfs/dbraw/zinc/36/71/98/888367198.db2.gz GXRWAWWCVQPBBR-WDEREUQCSA-N 2 1 286.376 -1.826 20 0 CAADMP CN(C[C@H](O)C[NH+](C)CC(N)=O)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001382479731 888367209 /nfs/dbraw/zinc/36/72/09/888367209.db2.gz GXRWAWWCVQPBBR-WDEREUQCSA-N 2 1 286.376 -1.826 20 0 CAADMP CN(C[C@H](O)C[NH+](C)CC(N)=O)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001382479731 888367221 /nfs/dbraw/zinc/36/72/21/888367221.db2.gz GXRWAWWCVQPBBR-WDEREUQCSA-N 2 1 286.376 -1.826 20 0 CAADMP CN(C[C@@H](O)C[N@H+](C)CC(N)=O)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001382479723 888368221 /nfs/dbraw/zinc/36/82/21/888368221.db2.gz GXRWAWWCVQPBBR-MNOVXSKESA-N 2 1 286.376 -1.826 20 0 CAADMP CN(C[C@@H](O)C[N@@H+](C)CC(N)=O)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001382479723 888368228 /nfs/dbraw/zinc/36/82/28/888368228.db2.gz GXRWAWWCVQPBBR-MNOVXSKESA-N 2 1 286.376 -1.826 20 0 CAADMP CN(C[C@@H](O)C[NH+](C)CC(N)=O)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001382479723 888368242 /nfs/dbraw/zinc/36/82/42/888368242.db2.gz GXRWAWWCVQPBBR-MNOVXSKESA-N 2 1 286.376 -1.826 20 0 CAADMP CN(C[C@@H](O)C[NH+](C)CC(N)=O)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001382479723 888368258 /nfs/dbraw/zinc/36/82/58/888368258.db2.gz GXRWAWWCVQPBBR-MNOVXSKESA-N 2 1 286.376 -1.826 20 0 CAADMP CC[N@@H+]1CCO[C@H](C(=O)NC[C@H]([NH2+]CC(N)=O)C2CC2)C1 ZINC001389688042 888556963 /nfs/dbraw/zinc/55/69/63/888556963.db2.gz LMIFNXRVTBXTTP-RYUDHWBXSA-N 2 1 298.387 -1.323 20 0 CAADMP CC[N@H+]1CCO[C@H](C(=O)NC[C@H]([NH2+]CC(N)=O)C2CC2)C1 ZINC001389688042 888556975 /nfs/dbraw/zinc/55/69/75/888556975.db2.gz LMIFNXRVTBXTTP-RYUDHWBXSA-N 2 1 298.387 -1.323 20 0 CAADMP C[C@@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)[NH2+]CC(=O)NC1CC1 ZINC001390332086 888575997 /nfs/dbraw/zinc/57/59/97/888575997.db2.gz VNRGTOQXXKMDLC-CMPLNLGQSA-N 2 1 298.387 -1.310 20 0 CAADMP C[C@@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)[NH2+]CC(=O)NC1CC1 ZINC001390332086 888576005 /nfs/dbraw/zinc/57/60/05/888576005.db2.gz VNRGTOQXXKMDLC-CMPLNLGQSA-N 2 1 298.387 -1.310 20 0 CAADMP C[C@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)[NH2+]CC(=O)NC(N)=O ZINC001390501181 888584611 /nfs/dbraw/zinc/58/46/11/888584611.db2.gz ALGNNFIYIJCEFX-NXEZZACHSA-N 2 1 299.375 -1.383 20 0 CAADMP C[C@@H](CCNC(=O)[C@H]1C[N@H+](C)CCO1)[NH2+]CC(N)=O ZINC001390662310 888591651 /nfs/dbraw/zinc/59/16/51/888591651.db2.gz YILVWJLWQMAMJD-VHSXEESVSA-N 2 1 272.349 -1.713 20 0 CAADMP C[C@@H](CCNC(=O)[C@H]1C[N@@H+](C)CCO1)[NH2+]CC(N)=O ZINC001390662310 888591662 /nfs/dbraw/zinc/59/16/62/888591662.db2.gz YILVWJLWQMAMJD-VHSXEESVSA-N 2 1 272.349 -1.713 20 0 CAADMP C[C@H](CCNC(=O)CC[NH+]1CCOCC1)[NH2+]CC(N)=O ZINC001390706868 888592965 /nfs/dbraw/zinc/59/29/65/888592965.db2.gz QRSBYRDWPOPDMA-LLVKDONJSA-N 2 1 286.376 -1.322 20 0 CAADMP C[NH+](C)CC1(C(=O)NC[C@@H](O)C[NH2+]Cc2cnon2)CC1 ZINC001392387980 888690419 /nfs/dbraw/zinc/69/04/19/888690419.db2.gz AWJFHPMFHJEEJP-NSHDSACASA-N 2 1 297.359 -1.022 20 0 CAADMP CNC(=O)C[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001392384983 888690699 /nfs/dbraw/zinc/69/06/99/888690699.db2.gz IXQJDHVCDREHLB-QWRGUYRKSA-N 2 1 286.376 -1.717 20 0 CAADMP C[NH+]1CCC(C(=O)NC[C@@H](O)C[NH2+]Cc2cnon2)CC1 ZINC001392389649 888692996 /nfs/dbraw/zinc/69/29/96/888692996.db2.gz FCRFXGFDRPQPKT-LBPRGKRZSA-N 2 1 297.359 -1.022 20 0 CAADMP C[NH+]1CCC(C(=O)NC[C@H](O)C[NH2+]Cc2cnon2)CC1 ZINC001392389644 888693103 /nfs/dbraw/zinc/69/31/03/888693103.db2.gz FCRFXGFDRPQPKT-GFCCVEGCSA-N 2 1 297.359 -1.022 20 0 CAADMP CC[C@@H](C(=O)NC[C@H](O)C[NH2+]Cc1nncn1C)[NH+](C)C ZINC001392403208 888696621 /nfs/dbraw/zinc/69/66/21/888696621.db2.gz TZXLUQHWRLRNHD-MNOVXSKESA-N 2 1 298.391 -1.278 20 0 CAADMP CC[C@@H](C(=O)NC[C@@H](O)C[NH2+]Cc1nncn1C)[NH+](C)C ZINC001392403228 888698337 /nfs/dbraw/zinc/69/83/37/888698337.db2.gz TZXLUQHWRLRNHD-QWRGUYRKSA-N 2 1 298.391 -1.278 20 0 CAADMP Cn1cnnc1C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001392415887 888702159 /nfs/dbraw/zinc/70/21/59/888702159.db2.gz ALCMUBKRAWSDLU-GHMZBOCLSA-N 2 1 296.375 -1.667 20 0 CAADMP Cn1cnnc1C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001392415887 888702167 /nfs/dbraw/zinc/70/21/67/888702167.db2.gz ALCMUBKRAWSDLU-GHMZBOCLSA-N 2 1 296.375 -1.667 20 0 CAADMP Cn1cc(C[NH2+]C[C@@H](O)CNC(=O)[C@H]2CC[N@H+](C)C2)nn1 ZINC001392424962 888705467 /nfs/dbraw/zinc/70/54/67/888705467.db2.gz LNRUGMFDEQGABD-CMPLNLGQSA-N 2 1 296.375 -1.667 20 0 CAADMP Cn1cc(C[NH2+]C[C@@H](O)CNC(=O)[C@H]2CC[N@@H+](C)C2)nn1 ZINC001392424962 888705477 /nfs/dbraw/zinc/70/54/77/888705477.db2.gz LNRUGMFDEQGABD-CMPLNLGQSA-N 2 1 296.375 -1.667 20 0 CAADMP Cn1cc(C[NH2+]C[C@H](O)CNC(=O)[C@@H]2CC[N@H+](C)C2)nn1 ZINC001392424966 888706165 /nfs/dbraw/zinc/70/61/65/888706165.db2.gz LNRUGMFDEQGABD-PWSUYJOCSA-N 2 1 296.375 -1.667 20 0 CAADMP Cn1cc(C[NH2+]C[C@H](O)CNC(=O)[C@@H]2CC[N@@H+](C)C2)nn1 ZINC001392424966 888706168 /nfs/dbraw/zinc/70/61/68/888706168.db2.gz LNRUGMFDEQGABD-PWSUYJOCSA-N 2 1 296.375 -1.667 20 0 CAADMP CC[C@@H](C(=O)NC[C@H](O)C[NH2+]Cc1cnn(C)n1)[NH+](C)C ZINC001392425441 888706252 /nfs/dbraw/zinc/70/62/52/888706252.db2.gz WLSUDXIOGDWJTR-NEPJUHHUSA-N 2 1 298.391 -1.278 20 0 CAADMP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@@H](O)C[NH2+]CC(N)=O ZINC001392434373 888706485 /nfs/dbraw/zinc/70/64/85/888706485.db2.gz XGFVXBBNSFQHSJ-QWRGUYRKSA-N 2 1 286.376 -1.587 20 0 CAADMP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@H](O)C[NH2+]CC(N)=O ZINC001392434369 888707172 /nfs/dbraw/zinc/70/71/72/888707172.db2.gz XGFVXBBNSFQHSJ-GHMZBOCLSA-N 2 1 286.376 -1.587 20 0 CAADMP CC[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc1cnn(C)n1)[NH+](C)C ZINC001392425445 888707210 /nfs/dbraw/zinc/70/72/10/888707210.db2.gz WLSUDXIOGDWJTR-NWDGAFQWSA-N 2 1 298.391 -1.278 20 0 CAADMP Cc1c[nH+]cn1CC(=O)N[C@H](C)C[NH2+]CC(=O)NC(N)=O ZINC001392499203 888714845 /nfs/dbraw/zinc/71/48/45/888714845.db2.gz YZESVMTYNBBREW-MRVPVSSYSA-N 2 1 296.331 -1.519 20 0 CAADMP C[C@@H](C[N@H+](C)CC(=O)NC(N)=O)NC(=O)[C@H]1CCC[NH+]1C ZINC001392644470 888727237 /nfs/dbraw/zinc/72/72/37/888727237.db2.gz VBVDXHUBPFQPLM-VHSXEESVSA-N 2 1 299.375 -1.288 20 0 CAADMP C[C@@H](C[N@@H+](C)CC(=O)NC(N)=O)NC(=O)[C@H]1CCC[NH+]1C ZINC001392644470 888727245 /nfs/dbraw/zinc/72/72/45/888727245.db2.gz VBVDXHUBPFQPLM-VHSXEESVSA-N 2 1 299.375 -1.288 20 0 CAADMP C[C@@H](C[NH+](C)CC(=O)NC(N)=O)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001392644470 888727253 /nfs/dbraw/zinc/72/72/53/888727253.db2.gz VBVDXHUBPFQPLM-VHSXEESVSA-N 2 1 299.375 -1.288 20 0 CAADMP C[C@@H](C[NH+](C)CC(=O)NC(N)=O)NC(=O)[C@H]1CCC[N@H+]1C ZINC001392644470 888727263 /nfs/dbraw/zinc/72/72/63/888727263.db2.gz VBVDXHUBPFQPLM-VHSXEESVSA-N 2 1 299.375 -1.288 20 0 CAADMP C[C@H](C[N@H+](C)CC(=O)NC(N)=O)NC(=O)[C@H]1CCC[NH+]1C ZINC001392644455 888729348 /nfs/dbraw/zinc/72/93/48/888729348.db2.gz VBVDXHUBPFQPLM-NXEZZACHSA-N 2 1 299.375 -1.288 20 0 CAADMP C[C@H](C[N@@H+](C)CC(=O)NC(N)=O)NC(=O)[C@H]1CCC[NH+]1C ZINC001392644455 888729350 /nfs/dbraw/zinc/72/93/50/888729350.db2.gz VBVDXHUBPFQPLM-NXEZZACHSA-N 2 1 299.375 -1.288 20 0 CAADMP C[C@H](C[NH+](C)CC(=O)NC(N)=O)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001392644455 888729356 /nfs/dbraw/zinc/72/93/56/888729356.db2.gz VBVDXHUBPFQPLM-NXEZZACHSA-N 2 1 299.375 -1.288 20 0 CAADMP C[C@H](C[NH+](C)CC(=O)NC(N)=O)NC(=O)[C@H]1CCC[N@H+]1C ZINC001392644455 888729360 /nfs/dbraw/zinc/72/93/60/888729360.db2.gz VBVDXHUBPFQPLM-NXEZZACHSA-N 2 1 299.375 -1.288 20 0 CAADMP C[C@H](C[N@H+](C)CC(=O)NC(N)=O)NC(=O)C[NH+]1CCCC1 ZINC001392719427 888732132 /nfs/dbraw/zinc/73/21/32/888732132.db2.gz AEAQESHXTMYRAW-SNVBAGLBSA-N 2 1 299.375 -1.286 20 0 CAADMP C[C@H](C[N@@H+](C)CC(=O)NC(N)=O)NC(=O)C[NH+]1CCCC1 ZINC001392719427 888732135 /nfs/dbraw/zinc/73/21/35/888732135.db2.gz AEAQESHXTMYRAW-SNVBAGLBSA-N 2 1 299.375 -1.286 20 0 CAADMP C[N@@H+]1CC[C@H](CC(=O)NC[C@]2(O)CC[NH+](CC(N)=O)C2)C1 ZINC001393289265 888771499 /nfs/dbraw/zinc/77/14/99/888771499.db2.gz ZYQPKZYQHDQRNX-BXUZGUMPSA-N 2 1 298.387 -1.634 20 0 CAADMP C[N@H+]1CC[C@H](CC(=O)NC[C@]2(O)CC[NH+](CC(N)=O)C2)C1 ZINC001393289265 888771508 /nfs/dbraw/zinc/77/15/08/888771508.db2.gz ZYQPKZYQHDQRNX-BXUZGUMPSA-N 2 1 298.387 -1.634 20 0 CAADMP C[NH+]1CC[C@H](CC(=O)NC[C@]2(O)CC[N@H+](CC(N)=O)C2)C1 ZINC001393289265 888771512 /nfs/dbraw/zinc/77/15/12/888771512.db2.gz ZYQPKZYQHDQRNX-BXUZGUMPSA-N 2 1 298.387 -1.634 20 0 CAADMP C[NH+]1CC[C@H](CC(=O)NC[C@]2(O)CC[N@@H+](CC(N)=O)C2)C1 ZINC001393289265 888771524 /nfs/dbraw/zinc/77/15/24/888771524.db2.gz ZYQPKZYQHDQRNX-BXUZGUMPSA-N 2 1 298.387 -1.634 20 0 CAADMP CC[C@@H](C(=O)NC[C@@]1(O)CC[N@@H+](CCO)C1)[NH+](C)C ZINC001393284900 888771814 /nfs/dbraw/zinc/77/18/14/888771814.db2.gz ONSNNKMJYXAYKL-AAEUAGOBSA-N 2 1 273.377 -1.128 20 0 CAADMP CC[C@@H](C(=O)NC[C@]1(O)CC[N@@H+](CCO)C1)[NH+](C)C ZINC001393284906 888772422 /nfs/dbraw/zinc/77/24/22/888772422.db2.gz ONSNNKMJYXAYKL-WCQYABFASA-N 2 1 273.377 -1.128 20 0 CAADMP C[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C)[NH+](C)CC(=O)NC(N)=O ZINC001394043786 888813147 /nfs/dbraw/zinc/81/31/47/888813147.db2.gz NOWFUDFIQCMBEL-VHSXEESVSA-N 2 1 299.375 -1.288 20 0 CAADMP C[C@@H](CNC(=O)[C@H]1CCC[N@H+]1C)[NH+](C)CC(=O)NC(N)=O ZINC001394043786 888813157 /nfs/dbraw/zinc/81/31/57/888813157.db2.gz NOWFUDFIQCMBEL-VHSXEESVSA-N 2 1 299.375 -1.288 20 0 CAADMP C[C@@H](CNC(=O)[C@H]1CCC[NH+]1C)[N@H+](C)CC(=O)NC(N)=O ZINC001394043786 888813171 /nfs/dbraw/zinc/81/31/71/888813171.db2.gz NOWFUDFIQCMBEL-VHSXEESVSA-N 2 1 299.375 -1.288 20 0 CAADMP C[C@@H](CNC(=O)[C@H]1CCC[NH+]1C)[N@@H+](C)CC(=O)NC(N)=O ZINC001394043786 888813183 /nfs/dbraw/zinc/81/31/83/888813183.db2.gz NOWFUDFIQCMBEL-VHSXEESVSA-N 2 1 299.375 -1.288 20 0 CAADMP C[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C)[NH+](C)CC(=O)NC(N)=O ZINC001394043781 888813723 /nfs/dbraw/zinc/81/37/23/888813723.db2.gz NOWFUDFIQCMBEL-NXEZZACHSA-N 2 1 299.375 -1.288 20 0 CAADMP C[C@H](CNC(=O)[C@H]1CCC[N@H+]1C)[NH+](C)CC(=O)NC(N)=O ZINC001394043781 888813736 /nfs/dbraw/zinc/81/37/36/888813736.db2.gz NOWFUDFIQCMBEL-NXEZZACHSA-N 2 1 299.375 -1.288 20 0 CAADMP C[C@H](CNC(=O)[C@H]1CCC[NH+]1C)[N@H+](C)CC(=O)NC(N)=O ZINC001394043781 888813753 /nfs/dbraw/zinc/81/37/53/888813753.db2.gz NOWFUDFIQCMBEL-NXEZZACHSA-N 2 1 299.375 -1.288 20 0 CAADMP C[C@H](CNC(=O)[C@H]1CCC[NH+]1C)[N@@H+](C)CC(=O)NC(N)=O ZINC001394043781 888813767 /nfs/dbraw/zinc/81/37/67/888813767.db2.gz NOWFUDFIQCMBEL-NXEZZACHSA-N 2 1 299.375 -1.288 20 0 CAADMP C[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH+](C)CC(=O)NC(N)=O ZINC001394043784 888814039 /nfs/dbraw/zinc/81/40/39/888814039.db2.gz NOWFUDFIQCMBEL-UWVGGRQHSA-N 2 1 299.375 -1.288 20 0 CAADMP C[C@@H](CNC(=O)[C@@H]1CCC[N@H+]1C)[NH+](C)CC(=O)NC(N)=O ZINC001394043784 888814052 /nfs/dbraw/zinc/81/40/52/888814052.db2.gz NOWFUDFIQCMBEL-UWVGGRQHSA-N 2 1 299.375 -1.288 20 0 CAADMP C[C@@H](CNC(=O)[C@@H]1CCC[NH+]1C)[N@H+](C)CC(=O)NC(N)=O ZINC001394043784 888814062 /nfs/dbraw/zinc/81/40/62/888814062.db2.gz NOWFUDFIQCMBEL-UWVGGRQHSA-N 2 1 299.375 -1.288 20 0 CAADMP C[C@@H](CNC(=O)[C@@H]1CCC[NH+]1C)[N@@H+](C)CC(=O)NC(N)=O ZINC001394043784 888814072 /nfs/dbraw/zinc/81/40/72/888814072.db2.gz NOWFUDFIQCMBEL-UWVGGRQHSA-N 2 1 299.375 -1.288 20 0 CAADMP CN(C(=O)[C@H]1C[N@H+](C)CCO1)[C@H](C[NH2+]CC(N)=O)C1CC1 ZINC001394429293 888831888 /nfs/dbraw/zinc/83/18/88/888831888.db2.gz QPRSOKJIXZMSBM-VXGBXAGGSA-N 2 1 298.387 -1.371 20 0 CAADMP CN(C(=O)[C@H]1C[N@@H+](C)CCO1)[C@H](C[NH2+]CC(N)=O)C1CC1 ZINC001394429293 888831899 /nfs/dbraw/zinc/83/18/99/888831899.db2.gz QPRSOKJIXZMSBM-VXGBXAGGSA-N 2 1 298.387 -1.371 20 0 CAADMP C[N@@H+](CC(=O)NC[C@H](CO)[NH2+][C@H]1CCNC1=O)C1CCC1 ZINC001394601943 888855463 /nfs/dbraw/zinc/85/54/63/888855463.db2.gz GFZCHGDTAKMTRO-PWSUYJOCSA-N 2 1 298.387 -1.574 20 0 CAADMP C[N@@H+](CC(=O)NC[C@@H](CO)[NH2+][C@@H]1CCNC1=O)C1CCC1 ZINC001394601939 888856261 /nfs/dbraw/zinc/85/62/61/888856261.db2.gz GFZCHGDTAKMTRO-CMPLNLGQSA-N 2 1 298.387 -1.574 20 0 CAADMP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@H](CO)[NH2+]CCO ZINC001394642674 888869539 /nfs/dbraw/zinc/86/95/39/888869539.db2.gz CXMTVBQDDWGJBA-NEPJUHHUSA-N 2 1 273.377 -1.080 20 0 CAADMP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H](CO)[NH2+]CCO ZINC001394642677 888871009 /nfs/dbraw/zinc/87/10/09/888871009.db2.gz CXMTVBQDDWGJBA-NWDGAFQWSA-N 2 1 273.377 -1.080 20 0 CAADMP Cn1nccc1C[NH2+][C@@H](CO)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001394658520 888877795 /nfs/dbraw/zinc/87/77/95/888877795.db2.gz XMEDESRLRQEKNT-VXGBXAGGSA-N 2 1 295.387 -1.062 20 0 CAADMP CN(C[C@H](O)C[NH2+]CC(N)=O)C(=O)C[N@@H+](C)C1CCC1 ZINC001394743505 888887747 /nfs/dbraw/zinc/88/77/47/888887747.db2.gz RWCBZMDPQPPJRJ-LLVKDONJSA-N 2 1 286.376 -1.635 20 0 CAADMP CN(C[C@H](O)C[NH2+]Cc1cn(C)nn1)C(=O)CC[NH+](C)C ZINC001394762610 888890862 /nfs/dbraw/zinc/89/08/62/888890862.db2.gz PROKNXWAOPRYHB-GFCCVEGCSA-N 2 1 298.391 -1.324 20 0 CAADMP CN(C[C@@H](O)C[NH2+]Cc1cnon1)C(=O)CC[NH+](C)C ZINC001394761960 888891853 /nfs/dbraw/zinc/89/18/53/888891853.db2.gz PDWSJXZFIDIQKB-NSHDSACASA-N 2 1 285.348 -1.070 20 0 CAADMP NC(=O)C[NH2+][C@H](CNC(=O)CC[NH+]1CCOCC1)C1CC1 ZINC001398439982 888993757 /nfs/dbraw/zinc/99/37/57/888993757.db2.gz IMEKJBIWKUXHRI-GFCCVEGCSA-N 2 1 298.387 -1.322 20 0 CAADMP C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1nnnn1C ZINC001399108402 889029957 /nfs/dbraw/zinc/02/99/57/889029957.db2.gz KCXFUGJCKOJWMJ-NXEZZACHSA-N 2 1 281.364 -1.244 20 0 CAADMP C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)[NH2+]Cc1nnnn1C ZINC001399108402 889029971 /nfs/dbraw/zinc/02/99/71/889029971.db2.gz KCXFUGJCKOJWMJ-NXEZZACHSA-N 2 1 281.364 -1.244 20 0 CAADMP C[C@H](CNC(=O)C12CC[NH+](CC1)C2)[NH2+]Cc1nnnn1C ZINC001399107417 889030053 /nfs/dbraw/zinc/03/00/53/889030053.db2.gz JBHSIPOMPJGYCI-SNVBAGLBSA-N 2 1 293.375 -1.100 20 0 CAADMP C[C@@H](CNC(=O)C12CC[NH+](CC1)C2)[NH2+]Cc1nnnn1C ZINC001399107289 889033710 /nfs/dbraw/zinc/03/37/10/889033710.db2.gz JBHSIPOMPJGYCI-JTQLQIEISA-N 2 1 293.375 -1.100 20 0 CAADMP C[C@@H](C[NH2+]CC(=O)NC(N)=O)N(C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001401204017 889132584 /nfs/dbraw/zinc/13/25/84/889132584.db2.gz QGKIWLAWQNJFDZ-UWVGGRQHSA-N 2 1 299.375 -1.288 20 0 CAADMP CC[C@H]([NH2+]C[C@@H](O)CNC(=O)Cn1cc[nH+]c1C)C(N)=O ZINC001401563514 889157166 /nfs/dbraw/zinc/15/71/66/889157166.db2.gz JJIBAMQYPALNHP-MNOVXSKESA-N 2 1 297.359 -1.478 20 0 CAADMP CC[C@@H]([NH2+]C[C@H](O)CNC(=O)Cn1cc[nH+]c1C)C(N)=O ZINC001401563524 889158332 /nfs/dbraw/zinc/15/83/32/889158332.db2.gz JJIBAMQYPALNHP-WDEREUQCSA-N 2 1 297.359 -1.478 20 0 CAADMP CC[C@H]([NH2+]C[C@H](O)CNC(=O)Cn1cc[nH+]c1C)C(N)=O ZINC001401563519 889158479 /nfs/dbraw/zinc/15/84/79/889158479.db2.gz JJIBAMQYPALNHP-QWRGUYRKSA-N 2 1 297.359 -1.478 20 0 CAADMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](O)C[NH2+]CC(=O)N1CCC1 ZINC001401570662 889161902 /nfs/dbraw/zinc/16/19/02/889161902.db2.gz ZSLIYUAZSJZPER-NWDGAFQWSA-N 2 1 298.387 -1.620 20 0 CAADMP C[N@@H+]1CC[C@H](CC(=O)NC[C@H](O)C[NH2+]Cc2cnon2)C1 ZINC001401585558 889164767 /nfs/dbraw/zinc/16/47/67/889164767.db2.gz PQNNGLZHDJGFFD-ZYHUDNBSSA-N 2 1 297.359 -1.022 20 0 CAADMP C[N@H+]1CC[C@H](CC(=O)NC[C@H](O)C[NH2+]Cc2cnon2)C1 ZINC001401585558 889164775 /nfs/dbraw/zinc/16/47/75/889164775.db2.gz PQNNGLZHDJGFFD-ZYHUDNBSSA-N 2 1 297.359 -1.022 20 0 CAADMP C[N@@H+]1CC[C@@H](CC(=O)NC[C@@H](O)C[NH2+]Cc2cnon2)C1 ZINC001401585553 889165584 /nfs/dbraw/zinc/16/55/84/889165584.db2.gz PQNNGLZHDJGFFD-JQWIXIFHSA-N 2 1 297.359 -1.022 20 0 CAADMP C[N@H+]1CC[C@@H](CC(=O)NC[C@@H](O)C[NH2+]Cc2cnon2)C1 ZINC001401585553 889165592 /nfs/dbraw/zinc/16/55/92/889165592.db2.gz PQNNGLZHDJGFFD-JQWIXIFHSA-N 2 1 297.359 -1.022 20 0 CAADMP Cn1ncnc1C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001401589335 889166825 /nfs/dbraw/zinc/16/68/25/889166825.db2.gz XIGWAWXFZYCPRU-GHMZBOCLSA-N 2 1 296.375 -1.667 20 0 CAADMP Cn1ncnc1C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001401589335 889166832 /nfs/dbraw/zinc/16/68/32/889166832.db2.gz XIGWAWXFZYCPRU-GHMZBOCLSA-N 2 1 296.375 -1.667 20 0 CAADMP C[C@H](C[NH2+]Cc1nnnn1C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001401663446 889174029 /nfs/dbraw/zinc/17/40/29/889174029.db2.gz AYEJIKRMGQBOFK-ZJUUUORDSA-N 2 1 281.364 -1.244 20 0 CAADMP C[C@H](C[NH2+]Cc1nnnn1C)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001401663446 889174040 /nfs/dbraw/zinc/17/40/40/889174040.db2.gz AYEJIKRMGQBOFK-ZJUUUORDSA-N 2 1 281.364 -1.244 20 0 CAADMP C[N@H+]1CC[C@H](C(=O)NCC2([NH2+]CC(=O)NC(N)=O)CC2)C1 ZINC001401987065 889197847 /nfs/dbraw/zinc/19/78/47/889197847.db2.gz VAPIJBGLCYNYTE-VIFPVBQESA-N 2 1 297.359 -1.629 20 0 CAADMP CCN1CC(O)(CNC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001402393848 889236775 /nfs/dbraw/zinc/23/67/75/889236775.db2.gz URFYHQYAVKHYDE-NSHDSACASA-N 2 1 271.361 -1.110 20 0 CAADMP CNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001402505795 889246204 /nfs/dbraw/zinc/24/62/04/889246204.db2.gz FWGIPIAPTAACTB-HAQNSBGRSA-N 2 1 298.387 -1.309 20 0 CAADMP CNC(=O)C[NH2+][C@H](C)CNC(=O)CC[NH+]1CCOCC1 ZINC001403080066 889282886 /nfs/dbraw/zinc/28/28/86/889282886.db2.gz VNKDXAVKRUKQHP-LLVKDONJSA-N 2 1 286.376 -1.451 20 0 CAADMP CNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001403356095 889297522 /nfs/dbraw/zinc/29/75/22/889297522.db2.gz SXLXPZSFGALSDA-NWDGAFQWSA-N 2 1 298.387 -1.499 20 0 CAADMP CNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001403356095 889297542 /nfs/dbraw/zinc/29/75/42/889297542.db2.gz SXLXPZSFGALSDA-NWDGAFQWSA-N 2 1 298.387 -1.499 20 0 CAADMP COC[C@@H](O)C[NH2+][C@H](CO)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001403693575 889347941 /nfs/dbraw/zinc/34/79/41/889347941.db2.gz ARDDIJXTAAHXEI-SDDRHHMPSA-N 2 1 289.376 -1.845 20 0 CAADMP Cc1c[nH+]cn1CC(=O)NC[C@@H](CO)[NH2+][C@H]1CCNC1=O ZINC001403685805 889349739 /nfs/dbraw/zinc/34/97/39/889349739.db2.gz MSFFLNNVIGZJKR-QWRGUYRKSA-N 2 1 295.343 -1.853 20 0 CAADMP Cn1ccc(C[NH2+][C@H](CO)CNC(=O)[C@H]2CC[N@H+](C)C2)n1 ZINC001403743976 889362051 /nfs/dbraw/zinc/36/20/51/889362051.db2.gz LFLUMCMVXVLMEB-AAEUAGOBSA-N 2 1 295.387 -1.062 20 0 CAADMP Cn1ccc(C[NH2+][C@H](CO)CNC(=O)[C@H]2CC[N@@H+](C)C2)n1 ZINC001403743976 889362063 /nfs/dbraw/zinc/36/20/63/889362063.db2.gz LFLUMCMVXVLMEB-AAEUAGOBSA-N 2 1 295.387 -1.062 20 0 CAADMP Cn1ccc(C[NH2+][C@@H](CO)CNC(=O)[C@H]2CC[N@H+](C)C2)n1 ZINC001403743983 889362302 /nfs/dbraw/zinc/36/23/02/889362302.db2.gz LFLUMCMVXVLMEB-WCQYABFASA-N 2 1 295.387 -1.062 20 0 CAADMP Cn1ccc(C[NH2+][C@@H](CO)CNC(=O)[C@H]2CC[N@@H+](C)C2)n1 ZINC001403743983 889362310 /nfs/dbraw/zinc/36/23/10/889362310.db2.gz LFLUMCMVXVLMEB-WCQYABFASA-N 2 1 295.387 -1.062 20 0 CAADMP Cn1cncc1C[NH2+][C@@H](CO)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001403747015 889363771 /nfs/dbraw/zinc/36/37/71/889363771.db2.gz NQWUYBNZQPMDJR-NWDGAFQWSA-N 2 1 295.387 -1.062 20 0 CAADMP C[C@H](C(=O)NC(N)=O)[N@H+](C)CCNC(=O)C[NH+]1CCCC1 ZINC001403767582 889365050 /nfs/dbraw/zinc/36/50/50/889365050.db2.gz RLGWRJWBGMSKKO-SNVBAGLBSA-N 2 1 299.375 -1.286 20 0 CAADMP C[C@H](C(=O)NC(N)=O)[N@@H+](C)CCNC(=O)C[NH+]1CCCC1 ZINC001403767582 889365063 /nfs/dbraw/zinc/36/50/63/889365063.db2.gz RLGWRJWBGMSKKO-SNVBAGLBSA-N 2 1 299.375 -1.286 20 0 CAADMP CC[N@H+](CCNC(=O)[C@@H]1CCC[NH+]1C)CC(=O)NC(N)=O ZINC001403816639 889371162 /nfs/dbraw/zinc/37/11/62/889371162.db2.gz IOUIUIOPBKIPJV-JTQLQIEISA-N 2 1 299.375 -1.286 20 0 CAADMP CC[N@@H+](CCNC(=O)[C@@H]1CCC[NH+]1C)CC(=O)NC(N)=O ZINC001403816639 889371174 /nfs/dbraw/zinc/37/11/74/889371174.db2.gz IOUIUIOPBKIPJV-JTQLQIEISA-N 2 1 299.375 -1.286 20 0 CAADMP CC[NH+](CCNC(=O)[C@@H]1CCC[N@@H+]1C)CC(=O)NC(N)=O ZINC001403816639 889371183 /nfs/dbraw/zinc/37/11/83/889371183.db2.gz IOUIUIOPBKIPJV-JTQLQIEISA-N 2 1 299.375 -1.286 20 0 CAADMP CC[NH+](CCNC(=O)[C@@H]1CCC[N@H+]1C)CC(=O)NC(N)=O ZINC001403816639 889371193 /nfs/dbraw/zinc/37/11/93/889371193.db2.gz IOUIUIOPBKIPJV-JTQLQIEISA-N 2 1 299.375 -1.286 20 0 CAADMP Cc1c[nH+]cn1CC(=O)N(C)C[C@H](O)C[NH2+]CC(N)=O ZINC001403847263 889375294 /nfs/dbraw/zinc/37/52/94/889375294.db2.gz JBZKGKHUPCUKAT-SNVBAGLBSA-N 2 1 283.332 -1.914 20 0 CAADMP CN(C[C@@H](O)C[NH2+]CC(N)=O)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001403874973 889378675 /nfs/dbraw/zinc/37/86/75/889378675.db2.gz HZPVVWMWSHOBCJ-ZJUUUORDSA-N 2 1 272.349 -2.168 20 0 CAADMP CC[C@@H](CNC(=O)[C@@H]1CCC[N@H+]1C)[NH2+]CC(=O)NC(N)=O ZINC001405197897 889431141 /nfs/dbraw/zinc/43/11/41/889431141.db2.gz COFIDNLXXYHKPW-UWVGGRQHSA-N 2 1 299.375 -1.240 20 0 CAADMP CC[C@@H](CNC(=O)[C@H]1CCC[N@H+]1C)[NH2+]CC(=O)NC(N)=O ZINC001405197898 889431602 /nfs/dbraw/zinc/43/16/02/889431602.db2.gz COFIDNLXXYHKPW-VHSXEESVSA-N 2 1 299.375 -1.240 20 0 CAADMP CC[N@@H+]1CCO[C@@H](C(=O)N(C)[C@H](C)C[NH2+]CC(N)=O)C1 ZINC001405899266 889472296 /nfs/dbraw/zinc/47/22/96/889472296.db2.gz QGZLBSVHVAQFLO-GHMZBOCLSA-N 2 1 286.376 -1.371 20 0 CAADMP CC[N@H+]1CCO[C@@H](C(=O)N(C)[C@H](C)C[NH2+]CC(N)=O)C1 ZINC001405899266 889472306 /nfs/dbraw/zinc/47/23/06/889472306.db2.gz QGZLBSVHVAQFLO-GHMZBOCLSA-N 2 1 286.376 -1.371 20 0 CAADMP CNC(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001406214403 889485794 /nfs/dbraw/zinc/48/57/94/889485794.db2.gz LFLLCOBBCKXWBN-GMTAPVOTSA-N 2 1 286.376 -1.861 20 0 CAADMP C[N@@H+](CC(=O)NC[C@@H](O)C[NH2+][C@H]1CCNC1=O)C1CCC1 ZINC001406246400 889495223 /nfs/dbraw/zinc/49/52/23/889495223.db2.gz PHIFGPXYBKQLRD-RYUDHWBXSA-N 2 1 298.387 -1.574 20 0 CAADMP CC[C@H](C(=O)NC[C@H](O)C[NH2+]Cc1cn(C)nn1)[NH+](C)C ZINC001406245308 889495948 /nfs/dbraw/zinc/49/59/48/889495948.db2.gz PJFXEDJIZADIJO-VXGBXAGGSA-N 2 1 298.391 -1.278 20 0 CAADMP C[N@@H+](CC(=O)NC[C@H](O)C[NH2+][C@@H]1CCNC1=O)C1CCC1 ZINC001406246423 889496227 /nfs/dbraw/zinc/49/62/27/889496227.db2.gz PHIFGPXYBKQLRD-VXGBXAGGSA-N 2 1 298.387 -1.574 20 0 CAADMP C[C@@H]([NH2+]C[C@H](O)CNC(=O)CC[NH+](C)C)c1nncn1C ZINC001406255223 889499178 /nfs/dbraw/zinc/49/91/78/889499178.db2.gz GISJMISKLMSJEE-MNOVXSKESA-N 2 1 298.391 -1.106 20 0 CAADMP C[N@H+]1CCC[C@@H]1CCC(=O)NC[C@@H](O)C[NH2+]CC(N)=O ZINC001406253203 889499588 /nfs/dbraw/zinc/49/95/88/889499588.db2.gz XEWHXHOODCZQJF-MNOVXSKESA-N 2 1 286.376 -1.587 20 0 CAADMP C[N@H+]1CCC[C@H]1CCC(=O)NC[C@@H](O)C[NH2+]CC(N)=O ZINC001406254278 889499671 /nfs/dbraw/zinc/49/96/71/889499671.db2.gz XEWHXHOODCZQJF-QWRGUYRKSA-N 2 1 286.376 -1.587 20 0 CAADMP CC(C)c1[nH+]ccn1CC(=O)NC[C@@H](O)C[NH2+]CC(N)=O ZINC001406267277 889502957 /nfs/dbraw/zinc/50/29/57/889502957.db2.gz NFEAIWFROAHDLM-JTQLQIEISA-N 2 1 297.359 -1.442 20 0 CAADMP Cn1cc(C[NH2+]C[C@@H](O)CNC(=O)[C@H]2CC[N@@H+](C)C2)cn1 ZINC001406275516 889507275 /nfs/dbraw/zinc/50/72/75/889507275.db2.gz CGDVUQVGHCGSCZ-QWHCGFSZSA-N 2 1 295.387 -1.062 20 0 CAADMP Cc1[nH+]ccn1CC(=O)NC[C@H](O)C[NH2+]CC(=O)N(C)C ZINC001406300987 889510155 /nfs/dbraw/zinc/51/01/55/889510155.db2.gz ZOLOOCQVVHZPFL-LLVKDONJSA-N 2 1 297.359 -1.654 20 0 CAADMP C[C@H](C[NH2+][C@H]1CCNC1=O)NC(=O)CC[NH+]1CCOCC1 ZINC001406410047 889519557 /nfs/dbraw/zinc/51/95/57/889519557.db2.gz RKZVXKFURKCOPB-NEPJUHHUSA-N 2 1 298.387 -1.309 20 0 CAADMP C[C@@H](C[NH2+]CC(=O)NC(N)=O)NC(=O)[C@H]1CCC[N@H+]1C ZINC001406519005 889526648 /nfs/dbraw/zinc/52/66/48/889526648.db2.gz QLUXDXXYSKWPHO-DTWKUNHWSA-N 2 1 285.348 -1.630 20 0 CAADMP CCC[N@@H+](C)CC(=O)N[C@@H](C)C[NH2+]CC(=O)NC(N)=O ZINC001406548070 889528871 /nfs/dbraw/zinc/52/88/71/889528871.db2.gz XACPDSYBDJLYML-VIFPVBQESA-N 2 1 287.364 -1.383 20 0 CAADMP C[C@@H]([NH2+]C1(CNC(=O)[C@H]2C[N@H+](C)CCO2)CC1)C(N)=O ZINC001406914393 889546738 /nfs/dbraw/zinc/54/67/38/889546738.db2.gz VQEQETKPCRWFQH-NXEZZACHSA-N 2 1 284.360 -1.571 20 0 CAADMP C[C@@H]([NH2+]C1(CNC(=O)[C@H]2C[N@@H+](C)CCO2)CC1)C(N)=O ZINC001406914393 889546750 /nfs/dbraw/zinc/54/67/50/889546750.db2.gz VQEQETKPCRWFQH-NXEZZACHSA-N 2 1 284.360 -1.571 20 0 CAADMP O=C(NC[C@]1(O)CC[N@H+](CCO)C1)C12CC[NH+](CC1)C2 ZINC001407373909 889564188 /nfs/dbraw/zinc/56/41/88/889564188.db2.gz QCDJAQQNIHYXCY-CQSZACIVSA-N 2 1 283.372 -1.373 20 0 CAADMP C[N@@H+]1CCO[C@@H](C(=O)N2CCC(C)([NH2+]CC(N)=O)CC2)C1 ZINC001408088068 889600734 /nfs/dbraw/zinc/60/07/34/889600734.db2.gz NWFZJQBHBSRIHD-LLVKDONJSA-N 2 1 298.387 -1.227 20 0 CAADMP C[N@H+]1CCO[C@@H](C(=O)N2CCC(C)([NH2+]CC(N)=O)CC2)C1 ZINC001408088068 889600738 /nfs/dbraw/zinc/60/07/38/889600738.db2.gz NWFZJQBHBSRIHD-LLVKDONJSA-N 2 1 298.387 -1.227 20 0 CAADMP C[NH+](C)CCC(=O)N1CC(NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001409040207 889624160 /nfs/dbraw/zinc/62/41/60/889624160.db2.gz ASAZRVYNLUGINO-LBPRGKRZSA-N 2 1 298.387 -1.404 20 0 CAADMP C[NH+](C)CCC(=O)N1CC(NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001409040207 889624166 /nfs/dbraw/zinc/62/41/66/889624166.db2.gz ASAZRVYNLUGINO-LBPRGKRZSA-N 2 1 298.387 -1.404 20 0 CAADMP NC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)C[NH+]3CCCC3)[C@@H]2C1 ZINC001410167690 889665306 /nfs/dbraw/zinc/66/53/06/889665306.db2.gz YNPSSTZZVBIOGX-CNDDSTCGSA-N 2 1 280.372 -1.139 20 0 CAADMP C[N@@H+]1CCO[C@@H](C(=O)NC[C@@H](CO)[NH2+]CC2CC2)C1 ZINC001410575995 889682569 /nfs/dbraw/zinc/68/25/69/889682569.db2.gz FJCINBNRWKEFFP-NWDGAFQWSA-N 2 1 271.361 -1.206 20 0 CAADMP C[N@H+]1CCO[C@@H](C(=O)NC[C@@H](CO)[NH2+]CC2CC2)C1 ZINC001410575995 889682574 /nfs/dbraw/zinc/68/25/74/889682574.db2.gz FJCINBNRWKEFFP-NWDGAFQWSA-N 2 1 271.361 -1.206 20 0 CAADMP C[C@H](O)C[NH2+][C@@H](CO)CNC(=O)C[N@@H+](C)C1CCC1 ZINC001410646817 889695412 /nfs/dbraw/zinc/69/54/12/889695412.db2.gz DEHFTWRPICUBSO-WDEREUQCSA-N 2 1 273.377 -1.082 20 0 CAADMP CNC(=O)C[NH2+][C@@H](CO)CNC(=O)C[N@@H+](C)C1CCC1 ZINC001410662759 889698621 /nfs/dbraw/zinc/69/86/21/889698621.db2.gz UTUJYMGIUIJIOD-SNVBAGLBSA-N 2 1 286.376 -1.717 20 0 CAADMP CNC(=O)C[NH2+][C@H](CO)CNC(=O)C[N@@H+](C)C1CCC1 ZINC001410662754 889699383 /nfs/dbraw/zinc/69/93/83/889699383.db2.gz UTUJYMGIUIJIOD-JTQLQIEISA-N 2 1 286.376 -1.717 20 0 CAADMP CC(C)(C(=O)NC[C@H](CO)[NH2+]CC(N)=O)[NH+]1CCCC1 ZINC001410704852 889703702 /nfs/dbraw/zinc/70/37/02/889703702.db2.gz NXSKLFLFEMOSNS-SNVBAGLBSA-N 2 1 286.376 -1.587 20 0 CAADMP Cn1ccnc1C[NH2+][C@@H](CO)CNC(=O)CC[NH+](C)C ZINC001410736685 889710068 /nfs/dbraw/zinc/71/00/68/889710068.db2.gz UJMVFBJVYCGMGA-LLVKDONJSA-N 2 1 283.376 -1.062 20 0 CAADMP C[C@H](O)C[NH2+][C@@H](CO)CNC(=O)CC[NH+]1CCOCC1 ZINC001410772226 889713044 /nfs/dbraw/zinc/71/30/44/889713044.db2.gz NHGXPOGJTIDECQ-NWDGAFQWSA-N 2 1 289.376 -1.844 20 0 CAADMP C[C@H](O)C[NH2+][C@H](CO)CNC(=O)CC[NH+]1CCOCC1 ZINC001410772233 889713244 /nfs/dbraw/zinc/71/32/44/889713244.db2.gz NHGXPOGJTIDECQ-RYUDHWBXSA-N 2 1 289.376 -1.844 20 0 CAADMP CNC(=O)C[NH2+][C@H](CO)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001410783327 889713338 /nfs/dbraw/zinc/71/33/38/889713338.db2.gz ICBZCGVTEFXRAG-ZJUUUORDSA-N 2 1 272.349 -2.249 20 0 CAADMP CCNC(=O)C[NH2+][C@H](CO)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001410780324 889714733 /nfs/dbraw/zinc/71/47/33/889714733.db2.gz DXXFTNGCQPGMJY-MNOVXSKESA-N 2 1 286.376 -1.859 20 0 CAADMP C[C@@H](O)C[NH2+][C@@H](CO)CNC(=O)CC[NH+]1CCOCC1 ZINC001410772236 889715409 /nfs/dbraw/zinc/71/54/09/889715409.db2.gz NHGXPOGJTIDECQ-VXGBXAGGSA-N 2 1 289.376 -1.844 20 0 CAADMP CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001410780323 889715425 /nfs/dbraw/zinc/71/54/25/889715425.db2.gz DXXFTNGCQPGMJY-GHMZBOCLSA-N 2 1 286.376 -1.859 20 0 CAADMP CNC(=O)C[NH2+][C@H](CO)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001410783314 889715547 /nfs/dbraw/zinc/71/55/47/889715547.db2.gz ICBZCGVTEFXRAG-UWVGGRQHSA-N 2 1 272.349 -2.249 20 0 CAADMP Cn1nncc1C[NH2+][C@H](CO)CNC(=O)C[NH+]1CCCC1 ZINC001410790911 889718797 /nfs/dbraw/zinc/71/87/97/889718797.db2.gz QDKSWTFSNJZREI-NSHDSACASA-N 2 1 296.375 -1.522 20 0 CAADMP Cc1[nH+]ccn1CC(=O)N(C)C[C@H](O)C[NH2+][C@H](C)C(N)=O ZINC001411121518 889732415 /nfs/dbraw/zinc/73/24/15/889732415.db2.gz DMSINTSCVAMLPH-MWLCHTKSSA-N 2 1 297.359 -1.526 20 0 CAADMP Cc1[nH+]ccn1CC(=O)N(C)C[C@@H](O)C[NH2+][C@H](C)C(N)=O ZINC001411121514 889735175 /nfs/dbraw/zinc/73/51/75/889735175.db2.gz DMSINTSCVAMLPH-KOLCDFICSA-N 2 1 297.359 -1.526 20 0 CAADMP CNC(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001411154026 889739472 /nfs/dbraw/zinc/73/94/72/889739472.db2.gz YYGOZHNKNCEDFZ-WDEREUQCSA-N 2 1 286.376 -1.907 20 0 CAADMP C[N@H+](C[C@H](O)C[NH+]1C[C@H](C(N)=O)[C@H](C(N)=O)C1)C1CC1 ZINC001414017368 890037759 /nfs/dbraw/zinc/03/77/59/890037759.db2.gz OBPHUMBKYRELEH-GARJFASQSA-N 2 1 284.360 -2.040 20 0 CAADMP C[N@@H+](C[C@H](O)C[NH+]1C[C@H](C(N)=O)[C@H](C(N)=O)C1)C1CC1 ZINC001414017368 890037775 /nfs/dbraw/zinc/03/77/75/890037775.db2.gz OBPHUMBKYRELEH-GARJFASQSA-N 2 1 284.360 -2.040 20 0 CAADMP C[NH+](C[C@H](O)C[N@@H+]1C[C@H](C(N)=O)[C@H](C(N)=O)C1)C1CC1 ZINC001414017368 890037789 /nfs/dbraw/zinc/03/77/89/890037789.db2.gz OBPHUMBKYRELEH-GARJFASQSA-N 2 1 284.360 -2.040 20 0 CAADMP C[NH+](C[C@H](O)C[N@H+]1C[C@H](C(N)=O)[C@H](C(N)=O)C1)C1CC1 ZINC001414017368 890037794 /nfs/dbraw/zinc/03/77/94/890037794.db2.gz OBPHUMBKYRELEH-GARJFASQSA-N 2 1 284.360 -2.040 20 0 CAADMP C[N@@H+]1CCO[C@H](C(=O)NC[C@H]([NH2+]CC(N)=O)C2CC2)C1 ZINC001417970516 890182642 /nfs/dbraw/zinc/18/26/42/890182642.db2.gz FNBZVMKNHJCRGQ-QWRGUYRKSA-N 2 1 284.360 -1.713 20 0 CAADMP C[N@H+]1CCO[C@H](C(=O)NC[C@H]([NH2+]CC(N)=O)C2CC2)C1 ZINC001417970516 890182651 /nfs/dbraw/zinc/18/26/51/890182651.db2.gz FNBZVMKNHJCRGQ-QWRGUYRKSA-N 2 1 284.360 -1.713 20 0 CAADMP CNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001418087499 890190056 /nfs/dbraw/zinc/19/00/56/890190056.db2.gz HKAZKGSAYNVHCQ-AXFHLTTASA-N 2 1 284.360 -1.700 20 0 CAADMP CNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001418087499 890190064 /nfs/dbraw/zinc/19/00/64/890190064.db2.gz HKAZKGSAYNVHCQ-AXFHLTTASA-N 2 1 284.360 -1.700 20 0 CAADMP CC(C)[N@@H+](C)CC(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001418111459 890190619 /nfs/dbraw/zinc/19/06/19/890190619.db2.gz ATCAFHCZSQGWSS-AOOOYVTPSA-N 2 1 299.375 -1.242 20 0 CAADMP C[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)CC[NH+]2CCOCC2)C1)C(N)=O ZINC001418111922 890190820 /nfs/dbraw/zinc/19/08/20/890190820.db2.gz ZHXGBGVKBSNYKP-UTUOFQBUSA-N 2 1 298.387 -1.181 20 0 CAADMP C[C@H]([NH2+][C@H]1C[C@@H](NC(=O)CC[NH+]2CCOCC2)C1)C(N)=O ZINC001418111919 890191078 /nfs/dbraw/zinc/19/10/78/890191078.db2.gz ZHXGBGVKBSNYKP-SDDRHHMPSA-N 2 1 298.387 -1.181 20 0 CAADMP C[C@H]([NH2+]CCN(C)C(=O)[C@@H]1CCC[N@H+]1C)C(=O)NC(N)=O ZINC001418818538 890264281 /nfs/dbraw/zinc/26/42/81/890264281.db2.gz VHPSNZULCPDVSV-UWVGGRQHSA-N 2 1 299.375 -1.288 20 0 CAADMP CC[C@H](CNC(=O)[C@H]1C[N@H+](CC)CCO1)[NH2+]CC(N)=O ZINC001419267741 890317268 /nfs/dbraw/zinc/31/72/68/890317268.db2.gz HVXATAUMNYJCQO-GHMZBOCLSA-N 2 1 286.376 -1.323 20 0 CAADMP CC[C@H](CNC(=O)[C@H]1C[N@@H+](CC)CCO1)[NH2+]CC(N)=O ZINC001419267741 890317288 /nfs/dbraw/zinc/31/72/88/890317288.db2.gz HVXATAUMNYJCQO-GHMZBOCLSA-N 2 1 286.376 -1.323 20 0 CAADMP CNC(=O)C[NH2+][C@@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)C1CC1 ZINC001419242252 890317470 /nfs/dbraw/zinc/31/74/70/890317470.db2.gz HRBXEDWFEGOONJ-RYUDHWBXSA-N 2 1 298.387 -1.453 20 0 CAADMP CNC(=O)C[NH2+][C@@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)C1CC1 ZINC001419242252 890317489 /nfs/dbraw/zinc/31/74/89/890317489.db2.gz HRBXEDWFEGOONJ-RYUDHWBXSA-N 2 1 298.387 -1.453 20 0 CAADMP CN(C)C(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001419398933 890325072 /nfs/dbraw/zinc/32/50/72/890325072.db2.gz HNWSTOJLJWLXKX-SRVKXCTJSA-N 2 1 298.387 -1.358 20 0 CAADMP CN(C)C(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001419398933 890325086 /nfs/dbraw/zinc/32/50/86/890325086.db2.gz HNWSTOJLJWLXKX-SRVKXCTJSA-N 2 1 298.387 -1.358 20 0 CAADMP CNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001419494183 890327837 /nfs/dbraw/zinc/32/78/37/890327837.db2.gz FWGIPIAPTAACTB-TXEJJXNPSA-N 2 1 298.387 -1.309 20 0 CAADMP C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)C[NH2+]CC(=O)NC(N)=O ZINC001419553985 890337393 /nfs/dbraw/zinc/33/73/93/890337393.db2.gz YVBYVUUYCCETOR-NXEZZACHSA-N 2 1 299.375 -1.525 20 0 CAADMP CNC(=O)NC(=O)C[NH2+][C@@H](C)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001419919112 890361653 /nfs/dbraw/zinc/36/16/53/890361653.db2.gz IASJNSQRZXTOIN-UWVGGRQHSA-N 2 1 299.375 -1.512 20 0 CAADMP C[C@H](CNC(=O)CC[NH+]1CCOCC1)[NH2+][C@@H]1CCNC1=O ZINC001419876001 890365139 /nfs/dbraw/zinc/36/51/39/890365139.db2.gz KVRJTDORAHLPFC-VXGBXAGGSA-N 2 1 298.387 -1.309 20 0 CAADMP CNC(=O)NC(=O)C[NH2+][C@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001419919105 890365489 /nfs/dbraw/zinc/36/54/89/890365489.db2.gz IASJNSQRZXTOIN-NXEZZACHSA-N 2 1 299.375 -1.512 20 0 CAADMP C[C@H]([NH2+]C[C@@H](O)CNC(=O)C[N@@H+](C)C1CCC1)C(N)=O ZINC001420137735 890398859 /nfs/dbraw/zinc/39/88/59/890398859.db2.gz KIKFPYSQWJXBAF-GXSJLCMTSA-N 2 1 286.376 -1.589 20 0 CAADMP C[C@@H](CCNC(=O)[C@@H]1CC[N@@H+](C)C1)[NH2+]CC(=O)NC(N)=O ZINC001420163728 890404317 /nfs/dbraw/zinc/40/43/17/890404317.db2.gz QNLAVPZYZCXSRV-VHSXEESVSA-N 2 1 299.375 -1.383 20 0 CAADMP CC[N@@H+](C)CCC(=O)NC[C@H](O)C[NH2+][C@@H]1CCNC1=O ZINC001420193040 890412060 /nfs/dbraw/zinc/41/20/60/890412060.db2.gz IFCCHGNFPOAUJH-GHMZBOCLSA-N 2 1 286.376 -1.717 20 0 CAADMP CNC(=O)[C@@H](C)[NH2+]C[C@@H](O)CNC(=O)C[N@@H+](C)C(C)C ZINC001420215372 890417050 /nfs/dbraw/zinc/41/70/50/890417050.db2.gz ORISDOCPVLNYJF-GHMZBOCLSA-N 2 1 288.392 -1.472 20 0 CAADMP Cc1[nH+]ccn1CC(=O)NC[C@@H](O)C[NH2+]C[C@H](C)O ZINC001420224574 890417136 /nfs/dbraw/zinc/41/71/36/890417136.db2.gz ZZGVQJKJZUGDLY-ONGXEEELSA-N 2 1 270.333 -1.361 20 0 CAADMP CC(C)[N@@H+](C)CC(=O)NC[C@@H](O)C[NH2+]Cc1cnnn1C ZINC001420212611 890417154 /nfs/dbraw/zinc/41/71/54/890417154.db2.gz LBBNQWUQPQBNRP-LBPRGKRZSA-N 2 1 298.391 -1.278 20 0 CAADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H](C)C[NH2+]CC(=O)NC)C1 ZINC001420511607 890450165 /nfs/dbraw/zinc/45/01/65/890450165.db2.gz FQEXZUDEALKUGY-WDEREUQCSA-N 2 1 286.376 -1.453 20 0 CAADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H](C)C[NH2+]CC(=O)NC)C1 ZINC001420511607 890450176 /nfs/dbraw/zinc/45/01/76/890450176.db2.gz FQEXZUDEALKUGY-WDEREUQCSA-N 2 1 286.376 -1.453 20 0 CAADMP C[C@@H](C[NH2+]Cc1nnnn1C)NC(=O)C12CC[NH+](CC1)C2 ZINC001420508737 890450643 /nfs/dbraw/zinc/45/06/43/890450643.db2.gz SQLJYULHRADKAR-JTQLQIEISA-N 2 1 293.375 -1.100 20 0 CAADMP CC[N@@H+]1CCO[C@H](C(=O)N(C)CC[NH2+][C@@H](C)C(N)=O)C1 ZINC001420746163 890463754 /nfs/dbraw/zinc/46/37/54/890463754.db2.gz RKRNACODBPLDAZ-QWRGUYRKSA-N 2 1 286.376 -1.371 20 0 CAADMP CC[N@H+]1CCO[C@H](C(=O)N(C)CC[NH2+][C@@H](C)C(N)=O)C1 ZINC001420746163 890463761 /nfs/dbraw/zinc/46/37/61/890463761.db2.gz RKRNACODBPLDAZ-QWRGUYRKSA-N 2 1 286.376 -1.371 20 0 CAADMP CC[N@@H+]1CCO[C@@H](C(=O)N(C)CC[NH2+][C@@H](C)C(N)=O)C1 ZINC001420746170 890464720 /nfs/dbraw/zinc/46/47/20/890464720.db2.gz RKRNACODBPLDAZ-WDEREUQCSA-N 2 1 286.376 -1.371 20 0 CAADMP CC[N@H+]1CCO[C@@H](C(=O)N(C)CC[NH2+][C@@H](C)C(N)=O)C1 ZINC001420746170 890464723 /nfs/dbraw/zinc/46/47/23/890464723.db2.gz RKRNACODBPLDAZ-WDEREUQCSA-N 2 1 286.376 -1.371 20 0 CAADMP CC[N@@H+]1CCO[C@@H](C(=O)N(C)CC[NH2+][C@H](C)C(N)=O)C1 ZINC001420746146 890465254 /nfs/dbraw/zinc/46/52/54/890465254.db2.gz RKRNACODBPLDAZ-GHMZBOCLSA-N 2 1 286.376 -1.371 20 0 CAADMP CC[N@H+]1CCO[C@@H](C(=O)N(C)CC[NH2+][C@H](C)C(N)=O)C1 ZINC001420746146 890465260 /nfs/dbraw/zinc/46/52/60/890465260.db2.gz RKRNACODBPLDAZ-GHMZBOCLSA-N 2 1 286.376 -1.371 20 0 CAADMP COC[C@H](O)C[NH+]1CC(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001421184491 890491824 /nfs/dbraw/zinc/49/18/24/890491824.db2.gz COFLHCHGJWJNFD-CHWSQXEVSA-N 2 1 285.388 -1.007 20 0 CAADMP C[NH+](C)CCC(=O)NC[C@@]1(O)CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001421379705 890503416 /nfs/dbraw/zinc/50/34/16/890503416.db2.gz SVAGWWQLJUOLLQ-FZMZJTMJSA-N 2 1 298.387 -1.620 20 0 CAADMP C[NH+](C)CCC(=O)NC[C@@]1(O)CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001421379705 890503425 /nfs/dbraw/zinc/50/34/25/890503425.db2.gz SVAGWWQLJUOLLQ-FZMZJTMJSA-N 2 1 298.387 -1.620 20 0 CAADMP C[N@H+]1CCC[C@H]1C(=O)N(CCO)CC[NH2+][C@H]1CCNC1=O ZINC001421635740 890521210 /nfs/dbraw/zinc/52/12/10/890521210.db2.gz MULTZTVSJWDKSQ-RYUDHWBXSA-N 2 1 298.387 -1.620 20 0 CAADMP C[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@H](O)[C@H](CO)C2)CC1 ZINC001421919234 890542321 /nfs/dbraw/zinc/54/23/21/890542321.db2.gz UZMOQQOXKVPRIJ-AAEUAGOBSA-N 2 1 285.388 -1.128 20 0 CAADMP C[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@H](O)[C@@H](CO)C2)CC1 ZINC001421919243 890543329 /nfs/dbraw/zinc/54/33/29/890543329.db2.gz UZMOQQOXKVPRIJ-YPMHNXCESA-N 2 1 285.388 -1.128 20 0 CAADMP C[NH+]1CCC(NC(=O)C[N@H+]2CC[C@H](O)[C@@H](CO)C2)CC1 ZINC001421919243 890543338 /nfs/dbraw/zinc/54/33/38/890543338.db2.gz UZMOQQOXKVPRIJ-YPMHNXCESA-N 2 1 285.388 -1.128 20 0 CAADMP CC(C)[N@H+](C)C[C@H](O)C[NH+]1C[C@@H](C(N)=O)[C@H](C(N)=O)C1 ZINC001422050904 890545995 /nfs/dbraw/zinc/54/59/95/890545995.db2.gz PDNULMATRODINJ-HBNTYKKESA-N 2 1 286.376 -1.794 20 0 CAADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1C[C@@H](C(N)=O)[C@H](C(N)=O)C1 ZINC001422050904 890546001 /nfs/dbraw/zinc/54/60/01/890546001.db2.gz PDNULMATRODINJ-HBNTYKKESA-N 2 1 286.376 -1.794 20 0 CAADMP C[N@H+]1CCC[C@H]1C(=O)NC[C@H](O)C[NH2+]CC(=O)N1CCC1 ZINC001422271384 890560764 /nfs/dbraw/zinc/56/07/64/890560764.db2.gz ZSLIYUAZSJZPER-NEPJUHHUSA-N 2 1 298.387 -1.620 20 0 CAADMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](O)C[NH2+]CC(N)=O ZINC001422319523 890577297 /nfs/dbraw/zinc/57/72/97/890577297.db2.gz LACYHIBNIFZZPC-QWRGUYRKSA-N 2 1 286.376 -1.587 20 0 CAADMP CNC(=O)[C@@H](C)[NH2+]C[C@@H](O)CNC(=O)Cn1c[nH+]cc1C ZINC001422334520 890577997 /nfs/dbraw/zinc/57/79/97/890577997.db2.gz SLPYEDSGSPYJLD-GHMZBOCLSA-N 2 1 297.359 -1.607 20 0 CAADMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@H](O)C[NH2+]CC(N)=O ZINC001422319515 890578384 /nfs/dbraw/zinc/57/83/84/890578384.db2.gz LACYHIBNIFZZPC-MNOVXSKESA-N 2 1 286.376 -1.587 20 0 CAADMP Cn1ncc(C[NH2+]C[C@@H](O)CNC(=O)CC[NH+](C)C)n1 ZINC001422351096 890579635 /nfs/dbraw/zinc/57/96/35/890579635.db2.gz VVJVRBRKCKCFFQ-LLVKDONJSA-N 2 1 284.364 -1.667 20 0 CAADMP Cc1nonc1C[NH2+]C[C@@H](O)CNC(=O)CC[NH+](C)C ZINC001422345517 890580085 /nfs/dbraw/zinc/58/00/85/890580085.db2.gz KIJCUNFQDGCAHN-SNVBAGLBSA-N 2 1 285.348 -1.104 20 0 CAADMP NC(=O)C[NH2+]C[C@@H](O)CNC(=O)CC[NH+]1CCOCC1 ZINC001422372958 890584551 /nfs/dbraw/zinc/58/45/51/890584551.db2.gz NQWOCMPWETVOSJ-SNVBAGLBSA-N 2 1 288.348 -2.739 20 0 CAADMP Cn1cc(C[NH2+]C[C@@H](O)CNC(=O)C[NH+]2CCCC2)nn1 ZINC001422401917 890588759 /nfs/dbraw/zinc/58/87/59/890588759.db2.gz HPVCPEQROHTCRS-GFCCVEGCSA-N 2 1 296.375 -1.522 20 0 CAADMP C[N@H+]1CC[C@@H](CC(=O)NC[C@H](O)C[NH2+]CC(N)=O)C1 ZINC001422400876 890589000 /nfs/dbraw/zinc/58/90/00/890589000.db2.gz PSZACIDSZALDSO-VHSXEESVSA-N 2 1 272.349 -2.120 20 0 CAADMP Cn1ccc(C[NH2+]C[C@@H](O)CNC(=O)[C@@H]2CC[N@@H+](C)C2)n1 ZINC001422403087 890592962 /nfs/dbraw/zinc/59/29/62/890592962.db2.gz LGGVQHQNHDTMPD-DGCLKSJQSA-N 2 1 295.387 -1.062 20 0 CAADMP CNC(=O)NC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001422616218 890603013 /nfs/dbraw/zinc/60/30/13/890603013.db2.gz MGKKEGTXFRXITQ-NXEZZACHSA-N 2 1 299.375 -1.512 20 0 CAADMP CNC(=O)NC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001422616222 890604458 /nfs/dbraw/zinc/60/44/58/890604458.db2.gz MGKKEGTXFRXITQ-ZJUUUORDSA-N 2 1 299.375 -1.512 20 0 CAADMP C[N@@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H](C[NH2+]CC(N)=O)C2)C1 ZINC001422886278 890615917 /nfs/dbraw/zinc/61/59/17/890615917.db2.gz AXSSGRMPUIVSLV-GMTAPVOTSA-N 2 1 284.360 -1.713 20 0 CAADMP C[N@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H](C[NH2+]CC(N)=O)C2)C1 ZINC001422886278 890615926 /nfs/dbraw/zinc/61/59/26/890615926.db2.gz AXSSGRMPUIVSLV-GMTAPVOTSA-N 2 1 284.360 -1.713 20 0 CAADMP Cn1ccc(C[NH2+][C@@H](CO)CNC(=O)CC[NH+](C)C)n1 ZINC001423256015 890654330 /nfs/dbraw/zinc/65/43/30/890654330.db2.gz DVPKNCROOMXHMA-GFCCVEGCSA-N 2 1 283.376 -1.062 20 0 CAADMP Cn1[nH]c(C[NH2+]C2(CNC(=O)CC[NH+](C)C)CC2)nc1=O ZINC001423272090 890658150 /nfs/dbraw/zinc/65/81/50/890658150.db2.gz IDMIXEOXADDEBV-UHFFFAOYSA-N 2 1 296.375 -1.202 20 0 CAADMP CNC(=O)C[NH2+][C@@H](CO)CNC(=O)C[N@@H+](C)C(C)C ZINC001423305604 890664570 /nfs/dbraw/zinc/66/45/70/890664570.db2.gz VWMMCZAGXZNAHK-SNVBAGLBSA-N 2 1 274.365 -1.861 20 0 CAADMP CNC(=O)C[NH2+][C@H](CO)CNC(=O)C[N@@H+](C)C(C)C ZINC001423305601 890665007 /nfs/dbraw/zinc/66/50/07/890665007.db2.gz VWMMCZAGXZNAHK-JTQLQIEISA-N 2 1 274.365 -1.861 20 0 CAADMP Cc1c[nH+]cn1CC(=O)N(C)C[C@H](O)C[NH2+][C@@H](C)C(N)=O ZINC001423462761 890676989 /nfs/dbraw/zinc/67/69/89/890676989.db2.gz RVVMQPNRKZNLBG-WDEREUQCSA-N 2 1 297.359 -1.526 20 0 CAADMP Cc1c[nH+]cn1CC(=O)N(C)C[C@@H](O)C[NH2+][C@@H](C)C(N)=O ZINC001423462754 890678124 /nfs/dbraw/zinc/67/81/24/890678124.db2.gz RVVMQPNRKZNLBG-QWRGUYRKSA-N 2 1 297.359 -1.526 20 0 CAADMP C[C@@H](C(N)=O)[N@H+](C)C[C@@H](O)CN(C)C(=O)CC[NH+](C)C ZINC001423552291 890684300 /nfs/dbraw/zinc/68/43/00/890684300.db2.gz WDKREOILQPPTCP-WDEREUQCSA-N 2 1 288.392 -1.437 20 0 CAADMP C[C@@H](C(N)=O)[N@@H+](C)C[C@@H](O)CN(C)C(=O)CC[NH+](C)C ZINC001423552291 890684304 /nfs/dbraw/zinc/68/43/04/890684304.db2.gz WDKREOILQPPTCP-WDEREUQCSA-N 2 1 288.392 -1.437 20 0 CAADMP O=C(NC[C@]1(O)CC[N@H+](CCO)C1)[C@H]1C[NH+]2CCC1CC2 ZINC001423768412 890693474 /nfs/dbraw/zinc/69/34/74/890693474.db2.gz TYMXWNLUCMLZDF-DZGCQCFKSA-N 2 1 297.399 -1.127 20 0 CAADMP C[N@@H+]1CCO[C@@H](C(=O)NC[C@]2(O)CC[NH+](CCO)C2)C1 ZINC001423745325 890694013 /nfs/dbraw/zinc/69/40/13/890694013.db2.gz VELUDJHWZQBBHD-DGCLKSJQSA-N 2 1 287.360 -2.138 20 0 CAADMP C[N@H+]1CCO[C@@H](C(=O)NC[C@]2(O)CC[NH+](CCO)C2)C1 ZINC001423745325 890694022 /nfs/dbraw/zinc/69/40/22/890694022.db2.gz VELUDJHWZQBBHD-DGCLKSJQSA-N 2 1 287.360 -2.138 20 0 CAADMP C[NH+]1CCO[C@@H](C(=O)NC[C@]2(O)CC[N@H+](CCO)C2)C1 ZINC001423745325 890694031 /nfs/dbraw/zinc/69/40/31/890694031.db2.gz VELUDJHWZQBBHD-DGCLKSJQSA-N 2 1 287.360 -2.138 20 0 CAADMP C[NH+]1CCO[C@@H](C(=O)NC[C@]2(O)CC[N@@H+](CCO)C2)C1 ZINC001423745325 890694042 /nfs/dbraw/zinc/69/40/42/890694042.db2.gz VELUDJHWZQBBHD-DGCLKSJQSA-N 2 1 287.360 -2.138 20 0 CAADMP CC[C@@H](C(=O)NC[C@@]1(O)CC[N@H+](CC(N)=O)C1)[NH+](C)C ZINC001423798519 890696607 /nfs/dbraw/zinc/69/66/07/890696607.db2.gz ODBPHANADIYTKW-GWCFXTLKSA-N 2 1 286.376 -1.635 20 0 CAADMP CC[C@@H](C(=O)NC[C@@]1(O)CC[N@@H+](CC(N)=O)C1)[NH+](C)C ZINC001423798519 890696617 /nfs/dbraw/zinc/69/66/17/890696617.db2.gz ODBPHANADIYTKW-GWCFXTLKSA-N 2 1 286.376 -1.635 20 0 CAADMP C[C@H]1CC[N@@H+](CC(=O)NC[C@]2(O)CC[NH+](CCO)C2)C1 ZINC001423782625 890697859 /nfs/dbraw/zinc/69/78/59/890697859.db2.gz ASZGZRCNKPLHRE-GXTWGEPZSA-N 2 1 285.388 -1.127 20 0 CAADMP C[C@H]1CC[NH+](CC(=O)NC[C@]2(O)CC[N@H+](CCO)C2)C1 ZINC001423782625 890697867 /nfs/dbraw/zinc/69/78/67/890697867.db2.gz ASZGZRCNKPLHRE-GXTWGEPZSA-N 2 1 285.388 -1.127 20 0 CAADMP C[C@H]1CC[NH+](CC(=O)NC[C@]2(O)CC[N@@H+](CCO)C2)C1 ZINC001423782625 890697870 /nfs/dbraw/zinc/69/78/70/890697870.db2.gz ASZGZRCNKPLHRE-GXTWGEPZSA-N 2 1 285.388 -1.127 20 0 CAADMP C[C@H]1CC[N@@H+](CC(=O)NC[C@@]2(O)CC[NH+](CCO)C2)C1 ZINC001423782629 890698582 /nfs/dbraw/zinc/69/85/82/890698582.db2.gz ASZGZRCNKPLHRE-JSGCOSHPSA-N 2 1 285.388 -1.127 20 0 CAADMP C[C@H]1CC[NH+](CC(=O)NC[C@@]2(O)CC[N@H+](CCO)C2)C1 ZINC001423782629 890698586 /nfs/dbraw/zinc/69/85/86/890698586.db2.gz ASZGZRCNKPLHRE-JSGCOSHPSA-N 2 1 285.388 -1.127 20 0 CAADMP C[C@H]1CC[NH+](CC(=O)NC[C@@]2(O)CC[N@@H+](CCO)C2)C1 ZINC001423782629 890698590 /nfs/dbraw/zinc/69/85/90/890698590.db2.gz ASZGZRCNKPLHRE-JSGCOSHPSA-N 2 1 285.388 -1.127 20 0 CAADMP C[C@@H]1CC[N@@H+](CC(=O)NC[C@]2(O)CC[NH+](CCO)C2)C1 ZINC001423782635 890698679 /nfs/dbraw/zinc/69/86/79/890698679.db2.gz ASZGZRCNKPLHRE-TZMCWYRMSA-N 2 1 285.388 -1.127 20 0 CAADMP C[C@@H]1CC[NH+](CC(=O)NC[C@]2(O)CC[N@H+](CCO)C2)C1 ZINC001423782635 890698683 /nfs/dbraw/zinc/69/86/83/890698683.db2.gz ASZGZRCNKPLHRE-TZMCWYRMSA-N 2 1 285.388 -1.127 20 0 CAADMP C[C@@H]1CC[NH+](CC(=O)NC[C@]2(O)CC[N@@H+](CCO)C2)C1 ZINC001423782635 890698690 /nfs/dbraw/zinc/69/86/90/890698690.db2.gz ASZGZRCNKPLHRE-TZMCWYRMSA-N 2 1 285.388 -1.127 20 0 CAADMP Cc1[nH+]cc2n1C[C@@H](C(=O)NC[C@@H](CO)[NH2+]CCO)CC2 ZINC001425805908 890822904 /nfs/dbraw/zinc/82/29/04/890822904.db2.gz ZBCSUFHOMZYBTL-RYUDHWBXSA-N 2 1 296.371 -1.187 20 0 CAADMP CC[C@@H](C(=O)NC[C@H](CO)[NH2+]Cc1cnnn1C)[NH+](C)C ZINC001425809169 890824918 /nfs/dbraw/zinc/82/49/18/890824918.db2.gz XWYYEEPDTQSQOM-PWSUYJOCSA-N 2 1 298.391 -1.278 20 0 CAADMP CCC[N@@H+](C)CC(=O)NC[C@H](CO)[NH2+][C@@H]1CCNC1=O ZINC001425840057 890829847 /nfs/dbraw/zinc/82/98/47/890829847.db2.gz MBUCMXOKNAOSFR-GHMZBOCLSA-N 2 1 286.376 -1.717 20 0 CAADMP CNC(=O)[C@@H](C)[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001436944644 891158469 /nfs/dbraw/zinc/15/84/69/891158469.db2.gz MADMQABODUMVAE-WISYIIOYSA-N 2 1 298.387 -1.312 20 0 CAADMP CNC(=O)[C@@H](C)[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001436944644 891158474 /nfs/dbraw/zinc/15/84/74/891158474.db2.gz MADMQABODUMVAE-WISYIIOYSA-N 2 1 298.387 -1.312 20 0 CAADMP CCC[N@@H+](C)CC(=O)N[C@H]1C[C@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001436928288 891159721 /nfs/dbraw/zinc/15/97/21/891159721.db2.gz XLSHZFKRCFUEFP-MGCOHNPYSA-N 2 1 299.375 -1.240 20 0 CAADMP C[N@H+](CCNC(=O)C12CC[NH+](CC1)C2)CC(=O)NC(N)=O ZINC001437541002 891184266 /nfs/dbraw/zinc/18/42/66/891184266.db2.gz ICZAZBYYZIWELU-UHFFFAOYSA-N 2 1 297.359 -1.675 20 0 CAADMP C[N@@H+](CCNC(=O)C12CC[NH+](CC1)C2)CC(=O)NC(N)=O ZINC001437541002 891184283 /nfs/dbraw/zinc/18/42/83/891184283.db2.gz ICZAZBYYZIWELU-UHFFFAOYSA-N 2 1 297.359 -1.675 20 0 CAADMP C[N@@H+]1CCO[C@H](C(=O)NCC2([NH2+]CC(N)=O)CCCC2)C1 ZINC001438585908 891227265 /nfs/dbraw/zinc/22/72/65/891227265.db2.gz AYLOFWJZDURJKH-NSHDSACASA-N 2 1 298.387 -1.179 20 0 CAADMP C[N@H+]1CCO[C@H](C(=O)NCC2([NH2+]CC(N)=O)CCCC2)C1 ZINC001438585908 891227281 /nfs/dbraw/zinc/22/72/81/891227281.db2.gz AYLOFWJZDURJKH-NSHDSACASA-N 2 1 298.387 -1.179 20 0 CAADMP C[N@H+]1CCCC[C@H]1C(=O)NC[C@@H](O)C[NH2+]CC(N)=O ZINC001438997952 891257822 /nfs/dbraw/zinc/25/78/22/891257822.db2.gz IJQVWIYBPGQZNY-UWVGGRQHSA-N 2 1 272.349 -1.977 20 0 CAADMP C[N@H+]1CCCC[C@H]1C(=O)NC[C@H](O)C[NH2+]CC(N)=O ZINC001438997961 891258699 /nfs/dbraw/zinc/25/86/99/891258699.db2.gz IJQVWIYBPGQZNY-ZJUUUORDSA-N 2 1 272.349 -1.977 20 0 CAADMP C[C@@H]1[C@H](C(=O)NC[C@H](O)C[NH2+]Cc2cnon2)CC[N@@H+]1C ZINC001438993220 891259283 /nfs/dbraw/zinc/25/92/83/891259283.db2.gz VKBOZOJLYUPYGD-YUSALJHKSA-N 2 1 297.359 -1.024 20 0 CAADMP C[C@@H]1[C@H](C(=O)NC[C@H](O)C[NH2+]Cc2cnon2)CC[N@H+]1C ZINC001438993220 891259298 /nfs/dbraw/zinc/25/92/98/891259298.db2.gz VKBOZOJLYUPYGD-YUSALJHKSA-N 2 1 297.359 -1.024 20 0 CAADMP CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001439019428 891265993 /nfs/dbraw/zinc/26/59/93/891265993.db2.gz XHAZRBPGXNLIOP-GHMZBOCLSA-N 2 1 286.376 -1.717 20 0 CAADMP C[C@@H]([NH2+]C[C@@H](O)CNC(=O)CC[NH+](C)C)c1nnnn1C ZINC001439026868 891268062 /nfs/dbraw/zinc/26/80/62/891268062.db2.gz PJSGADABOOTVHB-NXEZZACHSA-N 2 1 299.379 -1.711 20 0 CAADMP C[C@H]([NH2+]C[C@H](O)CNC(=O)CC[NH+](C)C)c1nnnn1C ZINC001439026874 891268322 /nfs/dbraw/zinc/26/83/22/891268322.db2.gz PJSGADABOOTVHB-UWVGGRQHSA-N 2 1 299.379 -1.711 20 0 CAADMP Cn1cc(C[NH2+]C[C@@H](O)CNC(=O)CC[NH+](C)C)nn1 ZINC001439028647 891269424 /nfs/dbraw/zinc/26/94/24/891269424.db2.gz VKJVEEGLDIZFSD-LLVKDONJSA-N 2 1 284.364 -1.667 20 0 CAADMP C[C@@H]([NH2+]C[C@H](O)CNC(=O)CC[NH+](C)C)c1nnnn1C ZINC001439026886 891271138 /nfs/dbraw/zinc/27/11/38/891271138.db2.gz PJSGADABOOTVHB-ZJUUUORDSA-N 2 1 299.379 -1.711 20 0 CAADMP C[N@@H+]1CC[C@H](C(=O)NC[C@H](O)C[NH2+]Cc2cnon2)C1 ZINC001439041358 891273903 /nfs/dbraw/zinc/27/39/03/891273903.db2.gz GJUDXQZGOVTKFR-GXSJLCMTSA-N 2 1 283.332 -1.412 20 0 CAADMP C[N@H+]1CC[C@H](C(=O)NC[C@H](O)C[NH2+]Cc2cnon2)C1 ZINC001439041358 891273919 /nfs/dbraw/zinc/27/39/19/891273919.db2.gz GJUDXQZGOVTKFR-GXSJLCMTSA-N 2 1 283.332 -1.412 20 0 CAADMP C[N@@H+]1CC[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc2cnon2)C1 ZINC001439041549 891274958 /nfs/dbraw/zinc/27/49/58/891274958.db2.gz GJUDXQZGOVTKFR-ONGXEEELSA-N 2 1 283.332 -1.412 20 0 CAADMP C[N@H+]1CC[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc2cnon2)C1 ZINC001439041549 891274976 /nfs/dbraw/zinc/27/49/76/891274976.db2.gz GJUDXQZGOVTKFR-ONGXEEELSA-N 2 1 283.332 -1.412 20 0 CAADMP CNC(=O)[C@H](C)[NH2+]C[C@H](O)CNC(=O)Cn1cc[nH+]c1C ZINC001439061854 891279480 /nfs/dbraw/zinc/27/94/80/891279480.db2.gz SLTBIQNXSQKWCB-ONGXEEELSA-N 2 1 297.359 -1.607 20 0 CAADMP C[C@@H](C[NH2+]Cc1nnnn1C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001439281337 891299092 /nfs/dbraw/zinc/29/90/92/891299092.db2.gz AYEJIKRMGQBOFK-UWVGGRQHSA-N 2 1 281.364 -1.244 20 0 CAADMP C[C@@H](C[NH2+]Cc1nnnn1C)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001439281337 891299108 /nfs/dbraw/zinc/29/91/08/891299108.db2.gz AYEJIKRMGQBOFK-UWVGGRQHSA-N 2 1 281.364 -1.244 20 0 CAADMP C[C@@H](C[NH2+]Cc1nnnn1C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001439281339 891299996 /nfs/dbraw/zinc/29/99/96/891299996.db2.gz AYEJIKRMGQBOFK-VHSXEESVSA-N 2 1 281.364 -1.244 20 0 CAADMP C[C@@H](C[NH2+]Cc1nnnn1C)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001439281339 891300008 /nfs/dbraw/zinc/30/00/08/891300008.db2.gz AYEJIKRMGQBOFK-VHSXEESVSA-N 2 1 281.364 -1.244 20 0 CAADMP C[N@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CC(N)=O)CCOCC1 ZINC001439948579 891329447 /nfs/dbraw/zinc/32/94/47/891329447.db2.gz BKLFDEHGHCNCRJ-NSHDSACASA-N 2 1 298.387 -1.179 20 0 CAADMP C[NH+]1CC[C@@H](C(=O)N[C@]2(CO)CCC[N@H+](CCO)C2)C1 ZINC001440186171 891357599 /nfs/dbraw/zinc/35/75/99/891357599.db2.gz BBHNQSQBURLUQG-TZMCWYRMSA-N 2 1 285.388 -1.127 20 0 CAADMP C[N@H+]1CC[C@@H](C(=O)N[C@]2(CO)CCC[NH+](CCO)C2)C1 ZINC001440186171 891357581 /nfs/dbraw/zinc/35/75/81/891357581.db2.gz BBHNQSQBURLUQG-TZMCWYRMSA-N 2 1 285.388 -1.127 20 0 CAADMP C[NH+]1CC[C@@H](C(=O)N[C@]2(CO)CCC[N@@H+](CCO)C2)C1 ZINC001440186171 891357614 /nfs/dbraw/zinc/35/76/14/891357614.db2.gz BBHNQSQBURLUQG-TZMCWYRMSA-N 2 1 285.388 -1.127 20 0 CAADMP CNC(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001440275870 891366378 /nfs/dbraw/zinc/36/63/78/891366378.db2.gz NOVLVXHCWCHURX-GRYCIOLGSA-N 2 1 298.387 -1.453 20 0 CAADMP CNC(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001440275870 891366391 /nfs/dbraw/zinc/36/63/91/891366391.db2.gz NOVLVXHCWCHURX-GRYCIOLGSA-N 2 1 298.387 -1.453 20 0 CAADMP C[N@H+]1CC[C@H](CC(=O)N2CCO[C@H](C[NH2+]CC(N)=O)C2)C1 ZINC001440378734 891368599 /nfs/dbraw/zinc/36/85/99/891368599.db2.gz VAHPJYFJRAPBIW-VXGBXAGGSA-N 2 1 298.387 -1.370 20 0 CAADMP CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)CCO1 ZINC001440375740 891371690 /nfs/dbraw/zinc/37/16/90/891371690.db2.gz MSFYEIBYPNYQSP-NEPJUHHUSA-N 2 1 298.387 -1.356 20 0 CAADMP C[N@H+]1CC[C@@H](C(=O)N2CCC[C@](CO)([NH2+]CC(N)=O)C2)C1 ZINC001440554593 891373603 /nfs/dbraw/zinc/37/36/03/891373603.db2.gz NEEMZRKFAJMHDR-RISCZKNCSA-N 2 1 298.387 -1.634 20 0 CAADMP CC[N@@H+](C)CCC(=O)N[C@H]1C[C@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001441417651 891412939 /nfs/dbraw/zinc/41/29/39/891412939.db2.gz NUGLHYKISXAWES-MGCOHNPYSA-N 2 1 299.375 -1.240 20 0 CAADMP C[C@@H](CN(C)C(=O)[C@H]1C[N@H+](C)CCO1)[NH2+]CC(N)=O ZINC001441500815 891413085 /nfs/dbraw/zinc/41/30/85/891413085.db2.gz JRUVSBCKEAXWNL-VHSXEESVSA-N 2 1 272.349 -1.761 20 0 CAADMP C[C@@H](CN(C)C(=O)[C@H]1C[N@@H+](C)CCO1)[NH2+]CC(N)=O ZINC001441500815 891413090 /nfs/dbraw/zinc/41/30/90/891413090.db2.gz JRUVSBCKEAXWNL-VHSXEESVSA-N 2 1 272.349 -1.761 20 0 CAADMP C[N@H+]1CCC[C@H]1C(=O)NC[C@@H](CO)[NH2+]CCn1cncn1 ZINC001441677554 891426946 /nfs/dbraw/zinc/42/69/46/891426946.db2.gz FNZSMTPKUPRXEO-RYUDHWBXSA-N 2 1 296.375 -1.561 20 0 CAADMP C[C@H]([NH2+][C@H](CO)CNC(=O)C12CCC[NH+]1CCC2)C(N)=O ZINC001441717901 891437570 /nfs/dbraw/zinc/43/75/70/891437570.db2.gz WAEHCEXJGPVPHE-QWRGUYRKSA-N 2 1 298.387 -1.445 20 0 CAADMP C[C@@H]([NH2+][C@@H](CO)CNC(=O)C12CCC[NH+]1CCC2)C(N)=O ZINC001441717819 891437975 /nfs/dbraw/zinc/43/79/75/891437975.db2.gz WAEHCEXJGPVPHE-GHMZBOCLSA-N 2 1 298.387 -1.445 20 0 CAADMP CNC(=O)C[NH2+][C@@H](CO)CNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001441746225 891443369 /nfs/dbraw/zinc/44/33/69/891443369.db2.gz CUYRJUXSQJYKJP-WDEREUQCSA-N 2 1 286.376 -1.859 20 0 CAADMP CNC(=O)C[NH2+][C@@H](CO)CNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001441746225 891443380 /nfs/dbraw/zinc/44/33/80/891443380.db2.gz CUYRJUXSQJYKJP-WDEREUQCSA-N 2 1 286.376 -1.859 20 0 CAADMP C[C@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)[NH2+]CC(=O)N(C)C ZINC001441797874 891454212 /nfs/dbraw/zinc/45/42/12/891454212.db2.gz YQNOKVMODVFCNS-MNOVXSKESA-N 2 1 286.376 -1.501 20 0 CAADMP C[C@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)[NH2+]CC(=O)N(C)C ZINC001441797874 891454218 /nfs/dbraw/zinc/45/42/18/891454218.db2.gz YQNOKVMODVFCNS-MNOVXSKESA-N 2 1 286.376 -1.501 20 0 CAADMP Cn1nncc1C[NH2+][C@@H](CO)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001441803692 891454481 /nfs/dbraw/zinc/45/44/81/891454481.db2.gz WHYWBPWEXCYYDN-GHMZBOCLSA-N 2 1 296.375 -1.667 20 0 CAADMP Cn1nncc1C[NH2+][C@@H](CO)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001441803692 891454492 /nfs/dbraw/zinc/45/44/92/891454492.db2.gz WHYWBPWEXCYYDN-GHMZBOCLSA-N 2 1 296.375 -1.667 20 0 CAADMP Cn1nncc1C[NH2+][C@@H](CO)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001441803705 891454675 /nfs/dbraw/zinc/45/46/75/891454675.db2.gz WHYWBPWEXCYYDN-WDEREUQCSA-N 2 1 296.375 -1.667 20 0 CAADMP Cn1nncc1C[NH2+][C@@H](CO)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001441803705 891454680 /nfs/dbraw/zinc/45/46/80/891454680.db2.gz WHYWBPWEXCYYDN-WDEREUQCSA-N 2 1 296.375 -1.667 20 0 CAADMP C[C@@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)[NH2+]CC(=O)N(C)C ZINC001441797879 891454966 /nfs/dbraw/zinc/45/49/66/891454966.db2.gz YQNOKVMODVFCNS-WDEREUQCSA-N 2 1 286.376 -1.501 20 0 CAADMP C[C@@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)[NH2+]CC(=O)N(C)C ZINC001441797879 891454961 /nfs/dbraw/zinc/45/49/61/891454961.db2.gz YQNOKVMODVFCNS-WDEREUQCSA-N 2 1 286.376 -1.501 20 0 CAADMP Cn1nncc1C[NH2+][C@H](CO)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001441803696 891455640 /nfs/dbraw/zinc/45/56/40/891455640.db2.gz WHYWBPWEXCYYDN-MNOVXSKESA-N 2 1 296.375 -1.667 20 0 CAADMP Cn1nncc1C[NH2+][C@H](CO)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001441803696 891455648 /nfs/dbraw/zinc/45/56/48/891455648.db2.gz WHYWBPWEXCYYDN-MNOVXSKESA-N 2 1 296.375 -1.667 20 0 CAADMP C[C@H](CNC(=O)C[N@H+]1CC[C@H](C)C1)[NH2+]CC(=O)NC(N)=O ZINC001441942485 891466411 /nfs/dbraw/zinc/46/64/11/891466411.db2.gz CJUROZJICNZOMF-VHSXEESVSA-N 2 1 299.375 -1.383 20 0 CAADMP CN(C[C@H](O)C[N@@H+](C)CCO)C(=O)[C@@H]1CCC[NH+]1C ZINC001442046754 891475200 /nfs/dbraw/zinc/47/52/00/891475200.db2.gz DNVPJHKUCHUBOU-NEPJUHHUSA-N 2 1 273.377 -1.176 20 0 CAADMP CN(C[C@H](O)C[NH+](C)CCO)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001442046754 891475204 /nfs/dbraw/zinc/47/52/04/891475204.db2.gz DNVPJHKUCHUBOU-NEPJUHHUSA-N 2 1 273.377 -1.176 20 0 CAADMP CN(C[C@H](O)C[NH+](C)CCO)C(=O)[C@@H]1CCC[N@H+]1C ZINC001442046754 891475209 /nfs/dbraw/zinc/47/52/09/891475209.db2.gz DNVPJHKUCHUBOU-NEPJUHHUSA-N 2 1 273.377 -1.176 20 0 CAADMP C[NH+](C)CC1(C(=O)NCC[N@H+](C)CC(=O)NC(N)=O)CC1 ZINC001442508096 891499996 /nfs/dbraw/zinc/49/99/96/891499996.db2.gz RBOBFXDFACUWRZ-UHFFFAOYSA-N 2 1 299.375 -1.429 20 0 CAADMP C[NH+](C)CC1(C(=O)NCC[N@@H+](C)CC(=O)NC(N)=O)CC1 ZINC001442508096 891500003 /nfs/dbraw/zinc/50/00/03/891500003.db2.gz RBOBFXDFACUWRZ-UHFFFAOYSA-N 2 1 299.375 -1.429 20 0 CAADMP CC[N@@H+]1CCO[C@H](C(=O)N(C)CC[NH2+][C@@H]2CCNC2=O)C1 ZINC001443102729 891518643 /nfs/dbraw/zinc/51/86/43/891518643.db2.gz QFJLESPARBHOJV-NEPJUHHUSA-N 2 1 298.387 -1.356 20 0 CAADMP CC[N@H+]1CCO[C@H](C(=O)N(C)CC[NH2+][C@@H]2CCNC2=O)C1 ZINC001443102729 891518647 /nfs/dbraw/zinc/51/86/47/891518647.db2.gz QFJLESPARBHOJV-NEPJUHHUSA-N 2 1 298.387 -1.356 20 0 CAADMP C[C@@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)C[NH2+]CC(N)=O ZINC001444283869 891566925 /nfs/dbraw/zinc/56/69/25/891566925.db2.gz FOUVXYKWYLGKLJ-NXEZZACHSA-N 2 1 272.349 -1.856 20 0 CAADMP C[C@@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)C[NH2+]CC(N)=O ZINC001444283869 891566933 /nfs/dbraw/zinc/56/69/33/891566933.db2.gz FOUVXYKWYLGKLJ-NXEZZACHSA-N 2 1 272.349 -1.856 20 0 CAADMP CNC(=O)C[NH2+]C[C@H](O)CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001445162705 891611223 /nfs/dbraw/zinc/61/12/23/891611223.db2.gz SITCSPXUHDYTNM-VHSXEESVSA-N 2 1 288.348 -2.870 20 0 CAADMP CNC(=O)C[NH2+]C[C@H](O)CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001445162705 891611232 /nfs/dbraw/zinc/61/12/32/891611232.db2.gz SITCSPXUHDYTNM-VHSXEESVSA-N 2 1 288.348 -2.870 20 0 CAADMP CC[C@@H]1[C@@H](C(=O)NC[C@H](O)C[NH2+]CC(N)=O)CC[N@H+]1C ZINC001445181559 891613815 /nfs/dbraw/zinc/61/38/15/891613815.db2.gz KMQMNMXNFXFHIV-OUAUKWLOSA-N 2 1 286.376 -1.731 20 0 CAADMP CC[C@H](C(=O)NC[C@H](O)C[NH2+]Cc1ncnn1C)[NH+](C)C ZINC001445201649 891616433 /nfs/dbraw/zinc/61/64/33/891616433.db2.gz HBWWWKWCEZJRCP-GHMZBOCLSA-N 2 1 298.391 -1.278 20 0 CAADMP CC[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc1ncnn1C)[NH+](C)C ZINC001445201654 891616540 /nfs/dbraw/zinc/61/65/40/891616540.db2.gz HBWWWKWCEZJRCP-WDEREUQCSA-N 2 1 298.391 -1.278 20 0 CAADMP Cc1c[nH+]cn1CC(=O)NC[C@H](O)C[NH2+]CC(=O)N(C)C ZINC001445212077 891617901 /nfs/dbraw/zinc/61/79/01/891617901.db2.gz NYQLHHLEXLWPHS-LLVKDONJSA-N 2 1 297.359 -1.654 20 0 CAADMP Cc1c[nH+]cn1CC(=O)NC[C@@H](O)C[NH2+][C@@H]1CCNC1=O ZINC001445207079 891618084 /nfs/dbraw/zinc/61/80/84/891618084.db2.gz KHGCDPBFLKBDCG-WDEREUQCSA-N 2 1 295.343 -1.853 20 0 CAADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@H](C[NH2+]CC(N)=O)C2CC2)C1 ZINC001445992280 891659935 /nfs/dbraw/zinc/65/99/35/891659935.db2.gz ZICZTLNVFGIEIQ-VXGBXAGGSA-N 2 1 298.387 -1.323 20 0 CAADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@H](C[NH2+]CC(N)=O)C2CC2)C1 ZINC001445992280 891659937 /nfs/dbraw/zinc/65/99/37/891659937.db2.gz ZICZTLNVFGIEIQ-VXGBXAGGSA-N 2 1 298.387 -1.323 20 0 CAADMP CC[N@@H+]1CCO[C@@H](C(=O)NCC2([NH2+]CC(=O)NC)CC2)C1 ZINC001446300425 891672762 /nfs/dbraw/zinc/67/27/62/891672762.db2.gz STXLMQUUBBUQAZ-LLVKDONJSA-N 2 1 298.387 -1.309 20 0 CAADMP CC[N@H+]1CCO[C@@H](C(=O)NCC2([NH2+]CC(=O)NC)CC2)C1 ZINC001446300425 891672772 /nfs/dbraw/zinc/67/27/72/891672772.db2.gz STXLMQUUBBUQAZ-LLVKDONJSA-N 2 1 298.387 -1.309 20 0 CAADMP C[N@@H+]1CCO[C@@H](C(=O)N2CC[C@](C)(C[NH2+]CC(N)=O)C2)C1 ZINC001446586880 891682981 /nfs/dbraw/zinc/68/29/81/891682981.db2.gz RSAKFDMIZACEPR-BXUZGUMPSA-N 2 1 298.387 -1.370 20 0 CAADMP C[N@H+]1CCO[C@@H](C(=O)N2CC[C@](C)(C[NH2+]CC(N)=O)C2)C1 ZINC001446586880 891682990 /nfs/dbraw/zinc/68/29/90/891682990.db2.gz RSAKFDMIZACEPR-BXUZGUMPSA-N 2 1 298.387 -1.370 20 0 CAADMP C[C@@H]1[C@H](C(=O)NC[C@@]2(O)CC[NH+](CCO)C2)CC[N@H+]1C ZINC001446770740 891690914 /nfs/dbraw/zinc/69/09/14/891690914.db2.gz SGEJJTRZYGSXAR-BZPMIXESSA-N 2 1 285.388 -1.128 20 0 CAADMP C[C@@H]1[C@H](C(=O)NC[C@@]2(O)CC[N@H+](CCO)C2)CC[NH+]1C ZINC001446770740 891690926 /nfs/dbraw/zinc/69/09/26/891690926.db2.gz SGEJJTRZYGSXAR-BZPMIXESSA-N 2 1 285.388 -1.128 20 0 CAADMP C[C@@H]1[C@H](C(=O)NC[C@@]2(O)CC[N@@H+](CCO)C2)CC[NH+]1C ZINC001446770740 891690933 /nfs/dbraw/zinc/69/09/33/891690933.db2.gz SGEJJTRZYGSXAR-BZPMIXESSA-N 2 1 285.388 -1.128 20 0 CAADMP CC[N@@H+](C)CCC(=O)NC[C@@]1(O)CC[NH+](CCO)C1 ZINC001446811574 891693242 /nfs/dbraw/zinc/69/32/42/891693242.db2.gz YUQVJWDUWZWBQK-ZDUSSCGKSA-N 2 1 273.377 -1.127 20 0 CAADMP CC[NH+](C)CCC(=O)NC[C@@]1(O)CC[N@H+](CCO)C1 ZINC001446811574 891693248 /nfs/dbraw/zinc/69/32/48/891693248.db2.gz YUQVJWDUWZWBQK-ZDUSSCGKSA-N 2 1 273.377 -1.127 20 0 CAADMP CC[NH+](C)CCC(=O)NC[C@@]1(O)CC[N@@H+](CCO)C1 ZINC001446811574 891693253 /nfs/dbraw/zinc/69/32/53/891693253.db2.gz YUQVJWDUWZWBQK-ZDUSSCGKSA-N 2 1 273.377 -1.127 20 0 CAADMP C[N@H+]1CCC[C@H]1C(=O)N1CCO[C@@H](C[NH2+]CC(N)=O)C1 ZINC001447255078 891716535 /nfs/dbraw/zinc/71/65/35/891716535.db2.gz BPCMWNSYAGVHCV-QWRGUYRKSA-N 2 1 284.360 -1.617 20 0 CAADMP C[N@H+]1CCC[C@H]1C(=O)N1CCO[C@H](C[NH2+]CC(N)=O)C1 ZINC001447254889 891718234 /nfs/dbraw/zinc/71/82/34/891718234.db2.gz BPCMWNSYAGVHCV-MNOVXSKESA-N 2 1 284.360 -1.617 20 0 CAADMP CNC(=O)C[NH2+][C@@H](CO)CNC(=O)C12CCC[NH+]1CCC2 ZINC001448858116 891796312 /nfs/dbraw/zinc/79/63/12/891796312.db2.gz DUJXJCFIJFDIHE-LLVKDONJSA-N 2 1 298.387 -1.573 20 0 CAADMP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](CO)[NH2+]CC(N)=O ZINC001448846636 891796646 /nfs/dbraw/zinc/79/66/46/891796646.db2.gz SBRFOGWFGFEZAQ-QWRGUYRKSA-N 2 1 286.376 -1.589 20 0 CAADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@@H](CO)[NH2+]CC(N)=O ZINC001448846636 891796657 /nfs/dbraw/zinc/79/66/57/891796657.db2.gz SBRFOGWFGFEZAQ-QWRGUYRKSA-N 2 1 286.376 -1.589 20 0 CAADMP CNC(=O)C[NH2+][C@H](CO)CNC(=O)C12CCC[NH+]1CCC2 ZINC001448858120 891796705 /nfs/dbraw/zinc/79/67/05/891796705.db2.gz DUJXJCFIJFDIHE-NSHDSACASA-N 2 1 298.387 -1.573 20 0 CAADMP C[N@H+]1CCC[C@H]1CCC(=O)NC[C@H](CO)[NH2+]CCO ZINC001448871812 891798143 /nfs/dbraw/zinc/79/81/43/891798143.db2.gz WPLCTNGXEMADHK-NEPJUHHUSA-N 2 1 273.377 -1.080 20 0 CAADMP C[N@H+]1CCC[C@@H]1CCC(=O)NC[C@H](CO)[NH2+]CCO ZINC001448871831 891799649 /nfs/dbraw/zinc/79/96/49/891799649.db2.gz WPLCTNGXEMADHK-VXGBXAGGSA-N 2 1 273.377 -1.080 20 0 CAADMP CC[N@@H+]1CCO[C@H](C(=O)NC[C@H](CO)[NH2+]CCO)C1 ZINC001448949593 891814098 /nfs/dbraw/zinc/81/40/98/891814098.db2.gz IXTNSVJRUPEBIX-MNOVXSKESA-N 2 1 275.349 -2.234 20 0 CAADMP CC[N@H+]1CCO[C@H](C(=O)NC[C@H](CO)[NH2+]CCO)C1 ZINC001448949593 891814113 /nfs/dbraw/zinc/81/41/13/891814113.db2.gz IXTNSVJRUPEBIX-MNOVXSKESA-N 2 1 275.349 -2.234 20 0 CAADMP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@H](CO)[NH2+]CCO)C1 ZINC001448949589 891815180 /nfs/dbraw/zinc/81/51/80/891815180.db2.gz IXTNSVJRUPEBIX-GHMZBOCLSA-N 2 1 275.349 -2.234 20 0 CAADMP CC[N@H+]1CCO[C@@H](C(=O)NC[C@H](CO)[NH2+]CCO)C1 ZINC001448949589 891815197 /nfs/dbraw/zinc/81/51/97/891815197.db2.gz IXTNSVJRUPEBIX-GHMZBOCLSA-N 2 1 275.349 -2.234 20 0 CAADMP C[N@H+]1CC[C@H](C(=O)NC[C@@H](CO)[NH2+]CCn2cccn2)C1 ZINC001448949472 891817309 /nfs/dbraw/zinc/81/73/09/891817309.db2.gz GBDQIIAOUDBCOP-STQMWFEESA-N 2 1 295.387 -1.099 20 0 CAADMP CN(C[C@@H](O)C[NH2+]CC(N)=O)C(=O)[C@@H]1CCC[N@H+]1C ZINC001449107997 891823390 /nfs/dbraw/zinc/82/33/90/891823390.db2.gz HYFODSWTHDKHPU-UWVGGRQHSA-N 2 1 272.349 -2.025 20 0 CAADMP CN(C[C@H](O)C[NH2+]CC(N)=O)C(=O)[C@@H]1CCC[N@H+]1C ZINC001449108018 891826157 /nfs/dbraw/zinc/82/61/57/891826157.db2.gz HYFODSWTHDKHPU-ZJUUUORDSA-N 2 1 272.349 -2.025 20 0 CAADMP CN(C[C@@H](O)C[NH2+]CC(N)=O)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001449166357 891838155 /nfs/dbraw/zinc/83/81/55/891838155.db2.gz WCWMZJUKUBBQBJ-MNOVXSKESA-N 2 1 286.376 -1.778 20 0 CAADMP C[C@@H]1CC[N@@H+](CC(=O)N(C)C[C@@H](O)C[NH2+]CC(N)=O)C1 ZINC001449163360 891838375 /nfs/dbraw/zinc/83/83/75/891838375.db2.gz UNHZZTSHSDRMSW-MNOVXSKESA-N 2 1 286.376 -1.778 20 0 CAADMP CN(C[C@@H](O)C[NH2+]CC(N)=O)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001449166358 891838743 /nfs/dbraw/zinc/83/87/43/891838743.db2.gz WCWMZJUKUBBQBJ-QWRGUYRKSA-N 2 1 286.376 -1.778 20 0 CAADMP CN(C[C@H](O)C[NH2+]CC(N)=O)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001449166359 891839416 /nfs/dbraw/zinc/83/94/16/891839416.db2.gz WCWMZJUKUBBQBJ-WDEREUQCSA-N 2 1 286.376 -1.778 20 0 CAADMP CC(C)[N@H+](C)CC(=O)N(C)C[C@@H](O)C[NH+](C)CC(N)=O ZINC001449230618 891842974 /nfs/dbraw/zinc/84/29/74/891842974.db2.gz DNMSHSBZWOUEDW-NSHDSACASA-N 2 1 288.392 -1.437 20 0 CAADMP CC(C)[N@@H+](C)CC(=O)N(C)C[C@@H](O)C[NH+](C)CC(N)=O ZINC001449230618 891842988 /nfs/dbraw/zinc/84/29/88/891842988.db2.gz DNMSHSBZWOUEDW-NSHDSACASA-N 2 1 288.392 -1.437 20 0 CAADMP CC(C)[NH+](C)CC(=O)N(C)C[C@@H](O)C[N@H+](C)CC(N)=O ZINC001449230618 891842989 /nfs/dbraw/zinc/84/29/89/891842989.db2.gz DNMSHSBZWOUEDW-NSHDSACASA-N 2 1 288.392 -1.437 20 0 CAADMP CC(C)[NH+](C)CC(=O)N(C)C[C@@H](O)C[N@@H+](C)CC(N)=O ZINC001449230618 891843001 /nfs/dbraw/zinc/84/30/01/891843001.db2.gz DNMSHSBZWOUEDW-NSHDSACASA-N 2 1 288.392 -1.437 20 0 CAADMP CN(C[C@H](O)C[N@@H+](C)CCO)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001449249323 891843696 /nfs/dbraw/zinc/84/36/96/891843696.db2.gz UUOPROBAVZCHFP-VXGBXAGGSA-N 2 1 273.377 -1.319 20 0 CAADMP CN(C[C@H](O)C[NH+](C)CCO)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001449249323 891843713 /nfs/dbraw/zinc/84/37/13/891843713.db2.gz UUOPROBAVZCHFP-VXGBXAGGSA-N 2 1 273.377 -1.319 20 0 CAADMP CN(C[C@H](O)C[NH+](C)CCO)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001449249323 891843733 /nfs/dbraw/zinc/84/37/33/891843733.db2.gz UUOPROBAVZCHFP-VXGBXAGGSA-N 2 1 273.377 -1.319 20 0 CAADMP CNC(=O)C[NH2+]C[C@H](O)CN(C)C(=O)Cn1cc[nH+]c1C ZINC001449193299 891845338 /nfs/dbraw/zinc/84/53/38/891845338.db2.gz QXJFSPGTILABLC-NSHDSACASA-N 2 1 297.359 -1.654 20 0 CAADMP C[N@@H+]1C[C@H](O)C[C@@]1(C)C(=O)N1CC([NH2+]C2COC2)C1 ZINC001456528814 892078411 /nfs/dbraw/zinc/07/84/11/892078411.db2.gz ZWAHJJYJPYYAIZ-YPMHNXCESA-N 2 1 269.345 -1.359 20 0 CAADMP C[N@H+]1C[C@H](O)C[C@@]1(C)C(=O)N1CC([NH2+]C2COC2)C1 ZINC001456528814 892078427 /nfs/dbraw/zinc/07/84/27/892078427.db2.gz ZWAHJJYJPYYAIZ-YPMHNXCESA-N 2 1 269.345 -1.359 20 0 CAADMP C[NH+]1CCN(CC(=O)N2CC([NH2+][C@@H]3CCOC3)C2)CC1 ZINC001458026525 892114672 /nfs/dbraw/zinc/11/46/72/892114672.db2.gz NXMUXZJPGXDNHX-GFCCVEGCSA-N 2 1 282.388 -1.177 20 0 CAADMP Nc1nc(N2C[C@@H]3CCC[N@H+]3C[C@@H]2CO)nc(N)[nH+]1 ZINC001458573004 892121835 /nfs/dbraw/zinc/12/18/35/892121835.db2.gz NUEQZZCIKPVROL-JGVFFNPUSA-N 2 1 265.321 -1.319 20 0 CAADMP CN1CCN(C(=O)CC[N@H+]2CCOC[C@@H]2CC(N)=O)CC1 ZINC001460256417 892144620 /nfs/dbraw/zinc/14/46/20/892144620.db2.gz WECMBBSQVSNGFZ-LBPRGKRZSA-N 2 1 298.387 -1.273 20 0 CAADMP CN1CCN(C(=O)CCN2CCOC[C@@H]2CC(N)=O)CC1 ZINC001460256417 892144636 /nfs/dbraw/zinc/14/46/36/892144636.db2.gz WECMBBSQVSNGFZ-LBPRGKRZSA-N 2 1 298.387 -1.273 20 0 CAADMP CC[N@H+](C)C[C@H](O)C[NH+]1C[C@@H](C(N)=O)[C@H](C(N)=O)C1 ZINC001460431032 892149608 /nfs/dbraw/zinc/14/96/08/892149608.db2.gz IUJWMJOAKXXRMJ-IVZWLZJFSA-N 2 1 272.349 -2.182 20 0 CAADMP CC[N@@H+](C)C[C@H](O)C[NH+]1C[C@@H](C(N)=O)[C@H](C(N)=O)C1 ZINC001460431032 892149622 /nfs/dbraw/zinc/14/96/22/892149622.db2.gz IUJWMJOAKXXRMJ-IVZWLZJFSA-N 2 1 272.349 -2.182 20 0 CAADMP Cn1cncc1[C@@H]1C[C@H]1C(=O)NC[C@]1(CO)COCC[NH2+]1 ZINC001471177744 892347734 /nfs/dbraw/zinc/34/77/34/892347734.db2.gz GSFLXRRQJBLDGM-GYSYKLTISA-N 2 1 294.355 -1.009 20 0 CAADMP C[C@@H]1[C@@H](NC(=O)CC[NH+]2CCOCC2)CCN1CC(N)=O ZINC001479722175 892478453 /nfs/dbraw/zinc/47/84/53/892478453.db2.gz PYYMADSJLCXERL-NEPJUHHUSA-N 2 1 298.387 -1.227 20 0 CAADMP C[N@H+](CCCNC(=O)[C@@H]1C[NH+](C)CCO1)[C@@H]1CCNC1=O ZINC001479763552 892482076 /nfs/dbraw/zinc/48/20/76/892482076.db2.gz LSYSAKDSMDONGQ-NEPJUHHUSA-N 2 1 298.387 -1.356 20 0 CAADMP C[N@@H+](CCCNC(=O)[C@@H]1C[NH+](C)CCO1)[C@@H]1CCNC1=O ZINC001479763552 892482085 /nfs/dbraw/zinc/48/20/85/892482085.db2.gz LSYSAKDSMDONGQ-NEPJUHHUSA-N 2 1 298.387 -1.356 20 0 CAADMP C[NH+](CCCNC(=O)[C@@H]1C[N@H+](C)CCO1)[C@@H]1CCNC1=O ZINC001479763552 892482092 /nfs/dbraw/zinc/48/20/92/892482092.db2.gz LSYSAKDSMDONGQ-NEPJUHHUSA-N 2 1 298.387 -1.356 20 0 CAADMP C[NH+](CCCNC(=O)[C@@H]1C[N@@H+](C)CCO1)[C@@H]1CCNC1=O ZINC001479763552 892482103 /nfs/dbraw/zinc/48/21/03/892482103.db2.gz LSYSAKDSMDONGQ-NEPJUHHUSA-N 2 1 298.387 -1.356 20 0 CAADMP NC(=O)C[NH2+]C[C@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001480668912 892541120 /nfs/dbraw/zinc/54/11/20/892541120.db2.gz CUZZPESEBXKXJK-GFCCVEGCSA-N 2 1 298.387 -1.368 20 0 CAADMP CNC(=O)C[NH2+]CCN(C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001481216204 892582424 /nfs/dbraw/zinc/58/24/24/892582424.db2.gz UXFTXRNBWWTCLU-JTQLQIEISA-N 2 1 256.350 -1.125 20 0 CAADMP CN(CC[NH2+]CCOCCO)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001481217925 892586964 /nfs/dbraw/zinc/58/69/64/892586964.db2.gz VLRAPLZICGPMNK-GFCCVEGCSA-N 2 1 289.376 -1.626 20 0 CAADMP CN(CC[NH2+]CCOCCO)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001481217925 892586975 /nfs/dbraw/zinc/58/69/75/892586975.db2.gz VLRAPLZICGPMNK-GFCCVEGCSA-N 2 1 289.376 -1.626 20 0 CAADMP Cc1[nH+]ccn1CC(=O)N(C)CC[NH2+]CC(N)=O ZINC001481314524 892597443 /nfs/dbraw/zinc/59/74/43/892597443.db2.gz HGQDIZFVMHKPSW-UHFFFAOYSA-N 2 1 253.306 -1.275 20 0 CAADMP CC[C@@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)[NH2+]CCO ZINC001481798836 892628101 /nfs/dbraw/zinc/62/81/01/892628101.db2.gz VJNGWAGEBWERPY-QWRGUYRKSA-N 2 1 259.350 -1.206 20 0 CAADMP CC[C@@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)[NH2+]CCO ZINC001481798836 892628103 /nfs/dbraw/zinc/62/81/03/892628103.db2.gz VJNGWAGEBWERPY-QWRGUYRKSA-N 2 1 259.350 -1.206 20 0 CAADMP CC(C)[C@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)[NH2+]CC(N)=O ZINC001482521011 892648632 /nfs/dbraw/zinc/64/86/32/892648632.db2.gz SDQYRVYXINHOFD-WDEREUQCSA-N 2 1 286.376 -1.467 20 0 CAADMP CC(C)[C@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)[NH2+]CC(N)=O ZINC001482521011 892648638 /nfs/dbraw/zinc/64/86/38/892648638.db2.gz SDQYRVYXINHOFD-WDEREUQCSA-N 2 1 286.376 -1.467 20 0 CAADMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@H](O)C[NH2+]CC(N)=O ZINC001482715697 892669657 /nfs/dbraw/zinc/66/96/57/892669657.db2.gz ILDKKCROPDDYMQ-RKDXNWHRSA-N 2 1 258.322 -2.367 20 0 CAADMP C[N@@H+]1CCO[C@@H](C(=O)NC[C@H](O)C[NH2+]CCF)C1 ZINC001482719520 892669990 /nfs/dbraw/zinc/66/99/90/892669990.db2.gz XFIMMLRGFPCUEJ-NXEZZACHSA-N 2 1 263.313 -1.647 20 0 CAADMP C[N@H+]1CCO[C@@H](C(=O)NC[C@H](O)C[NH2+]CCF)C1 ZINC001482719520 892669994 /nfs/dbraw/zinc/66/99/94/892669994.db2.gz XFIMMLRGFPCUEJ-NXEZZACHSA-N 2 1 263.313 -1.647 20 0 CAADMP C[C@@H](O)C[NH2+]C[C@@H](O)CNC(=O)C[N@@H+](C)C1CCC1 ZINC001482737491 892679755 /nfs/dbraw/zinc/67/97/55/892679755.db2.gz NTNCEWPJMZAWDT-ZYHUDNBSSA-N 2 1 273.377 -1.082 20 0 CAADMP CNC(=O)C[NH2+]C[C@H](O)CNC(=O)Cn1c[nH+]cc1C ZINC001482749974 892685007 /nfs/dbraw/zinc/68/50/07/892685007.db2.gz IDGVYDXGFCYBDU-JTQLQIEISA-N 2 1 283.332 -1.996 20 0 CAADMP Cc1c[nH+]cn1CC(=O)NC[C@@H](O)C[NH2+][C@@H](C)C(N)=O ZINC001482750683 892685829 /nfs/dbraw/zinc/68/58/29/892685829.db2.gz XYLUYAQGFJVPGQ-UWVGGRQHSA-N 2 1 283.332 -1.868 20 0 CAADMP C[C@H]1CC[N@@H+](CC(=O)NC[C@@H](O)C[NH2+]CC(N)=O)C1 ZINC001482767482 892694410 /nfs/dbraw/zinc/69/44/10/892694410.db2.gz NNAUXWQSHDOCJA-UWVGGRQHSA-N 2 1 272.349 -2.120 20 0 CAADMP C[C@@H]1CC[N@@H+](CC(=O)NC[C@H](O)C[NH2+]CC(N)=O)C1 ZINC001482767479 892695812 /nfs/dbraw/zinc/69/58/12/892695812.db2.gz NNAUXWQSHDOCJA-NXEZZACHSA-N 2 1 272.349 -2.120 20 0 CAADMP Cn1ccnc1C[NH2+]C[C@@H](O)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001482790447 892704511 /nfs/dbraw/zinc/70/45/11/892704511.db2.gz CHPTUAOSNKUZAF-NWDGAFQWSA-N 2 1 295.387 -1.062 20 0 CAADMP O=C(NC[C@H](O)C[NH2+]Cc1cnon1)C12CC[NH+](CC1)C2 ZINC001482787146 892704596 /nfs/dbraw/zinc/70/45/96/892704596.db2.gz VGIWKGVUSXAHIO-LLVKDONJSA-N 2 1 295.343 -1.268 20 0 CAADMP CNC(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001482791142 892704782 /nfs/dbraw/zinc/70/47/82/892704782.db2.gz QEDNKTPPSUMHGG-VHSXEESVSA-N 2 1 272.349 -2.249 20 0 CAADMP CC[N@@H+]1CCO[C@H](C(=O)NC[C@@H](O)C[NH2+]CC(N)=O)C1 ZINC001482797447 892708095 /nfs/dbraw/zinc/70/80/95/892708095.db2.gz QELUMMURCMRITP-UWVGGRQHSA-N 2 1 288.348 -2.741 20 0 CAADMP CC[N@H+]1CCO[C@H](C(=O)NC[C@@H](O)C[NH2+]CC(N)=O)C1 ZINC001482797447 892708100 /nfs/dbraw/zinc/70/81/00/892708100.db2.gz QELUMMURCMRITP-UWVGGRQHSA-N 2 1 288.348 -2.741 20 0 CAADMP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@H](O)C[NH2+]CC(N)=O)C1 ZINC001482797446 892708839 /nfs/dbraw/zinc/70/88/39/892708839.db2.gz QELUMMURCMRITP-NXEZZACHSA-N 2 1 288.348 -2.741 20 0 CAADMP CC[N@H+]1CCO[C@@H](C(=O)NC[C@H](O)C[NH2+]CC(N)=O)C1 ZINC001482797446 892708852 /nfs/dbraw/zinc/70/88/52/892708852.db2.gz QELUMMURCMRITP-NXEZZACHSA-N 2 1 288.348 -2.741 20 0 CAADMP CC(C)[N@H+](C)CC(=O)NC[C@@H](O)C[NH2+]Cc1nnnn1C ZINC001482798856 892709784 /nfs/dbraw/zinc/70/97/84/892709784.db2.gz KJVUOVBQQCVFDX-JTQLQIEISA-N 2 1 299.379 -1.883 20 0 CAADMP CC(C)[N@@H+](C)CC(=O)NC[C@@H](O)C[NH2+]Cc1nnnn1C ZINC001482798856 892709796 /nfs/dbraw/zinc/70/97/96/892709796.db2.gz KJVUOVBQQCVFDX-JTQLQIEISA-N 2 1 299.379 -1.883 20 0 CAADMP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@@H](O)C[NH2+]CC(N)=O)C1 ZINC001482797448 892710141 /nfs/dbraw/zinc/71/01/41/892710141.db2.gz QELUMMURCMRITP-VHSXEESVSA-N 2 1 288.348 -2.741 20 0 CAADMP CC[N@H+]1CCO[C@@H](C(=O)NC[C@@H](O)C[NH2+]CC(N)=O)C1 ZINC001482797448 892710148 /nfs/dbraw/zinc/71/01/48/892710148.db2.gz QELUMMURCMRITP-VHSXEESVSA-N 2 1 288.348 -2.741 20 0 CAADMP C[C@H](O)C[NH2+]C/C=C/CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001482993155 892721317 /nfs/dbraw/zinc/72/13/17/892721317.db2.gz OSWFNSYLRVVSFO-HEKLCECKSA-N 2 1 271.361 -1.040 20 0 CAADMP C[C@H](O)C[NH2+]C/C=C/CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001482993155 892721322 /nfs/dbraw/zinc/72/13/22/892721322.db2.gz OSWFNSYLRVVSFO-HEKLCECKSA-N 2 1 271.361 -1.040 20 0 CAADMP C[C@H](O)C[NH2+]C/C=C\CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001482993158 892721348 /nfs/dbraw/zinc/72/13/48/892721348.db2.gz OSWFNSYLRVVSFO-WGPFEIJOSA-N 2 1 271.361 -1.040 20 0 CAADMP C[C@H](O)C[NH2+]C/C=C\CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001482993158 892721351 /nfs/dbraw/zinc/72/13/51/892721351.db2.gz OSWFNSYLRVVSFO-WGPFEIJOSA-N 2 1 271.361 -1.040 20 0 CAADMP C[C@H](C[NH2+]CCOCCO)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001483118381 892734159 /nfs/dbraw/zinc/73/41/59/892734159.db2.gz VRGPIRATQMMYFL-VXGBXAGGSA-N 2 1 289.376 -1.580 20 0 CAADMP C[C@H](C[NH2+]CCOCCO)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001483118381 892734164 /nfs/dbraw/zinc/73/41/64/892734164.db2.gz VRGPIRATQMMYFL-VXGBXAGGSA-N 2 1 289.376 -1.580 20 0 CAADMP C[C@H](C[NH2+]Cc1nnnn1C)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001483157426 892737679 /nfs/dbraw/zinc/73/76/79/892737679.db2.gz MAVYWXPCWCAPGZ-NXEZZACHSA-N 2 1 281.364 -1.101 20 0 CAADMP C[C@H](C[NH2+]Cc1nnnn1C)NC(=O)[C@H]1CCC[N@H+]1C ZINC001483157426 892737686 /nfs/dbraw/zinc/73/76/86/892737686.db2.gz MAVYWXPCWCAPGZ-NXEZZACHSA-N 2 1 281.364 -1.101 20 0 CAADMP CNC(=O)NC(=O)C[NH2+]C[C@H](C)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001483214367 892742399 /nfs/dbraw/zinc/74/23/99/892742399.db2.gz KIZLTGGKHPZHSX-UWVGGRQHSA-N 2 1 299.375 -1.370 20 0 CAADMP C[C@@H](C[NH2+]CC(=O)NC(N)=O)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001483266418 892751153 /nfs/dbraw/zinc/75/11/53/892751153.db2.gz LNHMGCZUZQUMIT-ZJUUUORDSA-N 2 1 299.375 -1.383 20 0 CAADMP C[C@@H](C[NH2+][C@H]1CCNC1=O)NC(=O)CC[NH+]1CCOCC1 ZINC001483274958 892753213 /nfs/dbraw/zinc/75/32/13/892753213.db2.gz RKZVXKFURKCOPB-RYUDHWBXSA-N 2 1 298.387 -1.309 20 0 CAADMP CN(CCC[NH2+]CC(N)=O)C(=O)CC[NH+]1CCOCC1 ZINC001483497985 892767051 /nfs/dbraw/zinc/76/70/51/892767051.db2.gz IFGXFCXBCLEHIA-UHFFFAOYSA-N 2 1 286.376 -1.368 20 0 CAADMP CN(C)C(=O)C[NH2+]C1(CNC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001483725140 892786065 /nfs/dbraw/zinc/78/60/65/892786065.db2.gz SWNNXXRQZFSDAY-NSHDSACASA-N 2 1 298.387 -1.356 20 0 CAADMP CN(C)C(=O)C[NH2+]C1(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001483725140 892786076 /nfs/dbraw/zinc/78/60/76/892786076.db2.gz SWNNXXRQZFSDAY-NSHDSACASA-N 2 1 298.387 -1.356 20 0 CAADMP C[NH+](C)CC1(C(=O)NC[C@]2(O)CC[N@H+](CC(N)=O)C2)CC1 ZINC001484235047 892822779 /nfs/dbraw/zinc/82/27/79/892822779.db2.gz ZRPXCVDFOURCEG-CQSZACIVSA-N 2 1 298.387 -1.634 20 0 CAADMP C[NH+](C)CC1(C(=O)NC[C@]2(O)CC[N@@H+](CC(N)=O)C2)CC1 ZINC001484235047 892822795 /nfs/dbraw/zinc/82/27/95/892822795.db2.gz ZRPXCVDFOURCEG-CQSZACIVSA-N 2 1 298.387 -1.634 20 0 CAADMP COCC[NH2+]CCN(CCO)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001484479695 892861572 /nfs/dbraw/zinc/86/15/72/892861572.db2.gz YLFOQNHJSVMJDV-LBPRGKRZSA-N 2 1 289.376 -1.626 20 0 CAADMP COCC[NH2+]CCN(CCO)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001484479695 892861582 /nfs/dbraw/zinc/86/15/82/892861582.db2.gz YLFOQNHJSVMJDV-LBPRGKRZSA-N 2 1 289.376 -1.626 20 0 CAADMP Cc1[nH+]ccn1CC(=O)N(CCO)CC[NH2+]C[C@H](C)O ZINC001484501161 892873265 /nfs/dbraw/zinc/87/32/65/892873265.db2.gz NCZFFFJOQSADAZ-NSHDSACASA-N 2 1 284.360 -1.017 20 0 CAADMP C[N@H+](CCOCCNC(=O)C12CC[NH+](CC1)C2)CC(N)=O ZINC001485776549 892947838 /nfs/dbraw/zinc/94/78/38/892947838.db2.gz HEYJPZGAMKZIIR-UHFFFAOYSA-N 2 1 298.387 -1.368 20 0 CAADMP C[N@@H+](CCOCCNC(=O)C12CC[NH+](CC1)C2)CC(N)=O ZINC001485776549 892947843 /nfs/dbraw/zinc/94/78/43/892947843.db2.gz HEYJPZGAMKZIIR-UHFFFAOYSA-N 2 1 298.387 -1.368 20 0 CAADMP CC[NH2+][C@H](CO)CNC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001486063988 893010971 /nfs/dbraw/zinc/01/09/71/893010971.db2.gz WMZDBJMCAWXRAW-WDEREUQCSA-N 2 1 259.350 -1.206 20 0 CAADMP CC[NH2+][C@H](CO)CNC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001486063988 893010991 /nfs/dbraw/zinc/01/09/91/893010991.db2.gz WMZDBJMCAWXRAW-WDEREUQCSA-N 2 1 259.350 -1.206 20 0 CAADMP C[N@H+]1CC[C@H](CC(=O)NC[C@H](CO)[NH2+]CC(N)=O)C1 ZINC001486052025 893001824 /nfs/dbraw/zinc/00/18/24/893001824.db2.gz BBNVPWFTBKMRJT-NXEZZACHSA-N 2 1 272.349 -2.120 20 0 CAADMP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@@H](CO)[NH2+]CCOC)C1 ZINC001486061844 893005934 /nfs/dbraw/zinc/00/59/34/893005934.db2.gz CQCIAWLPSCDICF-NWDGAFQWSA-N 2 1 289.376 -1.580 20 0 CAADMP CC[N@H+]1CCO[C@@H](C(=O)NC[C@@H](CO)[NH2+]CCOC)C1 ZINC001486061844 893005962 /nfs/dbraw/zinc/00/59/62/893005962.db2.gz CQCIAWLPSCDICF-NWDGAFQWSA-N 2 1 289.376 -1.580 20 0 CAADMP CC[N@@H+]1CCO[C@H](C(=O)NC[C@@H](CO)[NH2+]CCOC)C1 ZINC001486061846 893007339 /nfs/dbraw/zinc/00/73/39/893007339.db2.gz CQCIAWLPSCDICF-RYUDHWBXSA-N 2 1 289.376 -1.580 20 0 CAADMP CC[N@H+]1CCO[C@H](C(=O)NC[C@@H](CO)[NH2+]CCOC)C1 ZINC001486061846 893007358 /nfs/dbraw/zinc/00/73/58/893007358.db2.gz CQCIAWLPSCDICF-RYUDHWBXSA-N 2 1 289.376 -1.580 20 0 CAADMP CC[NH2+][C@H](CO)CNC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001486063987 893010035 /nfs/dbraw/zinc/01/00/35/893010035.db2.gz WMZDBJMCAWXRAW-QWRGUYRKSA-N 2 1 259.350 -1.206 20 0 CAADMP CC[NH2+][C@H](CO)CNC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001486063987 893010056 /nfs/dbraw/zinc/01/00/56/893010056.db2.gz WMZDBJMCAWXRAW-QWRGUYRKSA-N 2 1 259.350 -1.206 20 0 CAADMP CC(C)[N@@H+](C)CC(=O)NC[C@H](CO)[NH2+]CC(=O)N(C)C ZINC001486064826 893010801 /nfs/dbraw/zinc/01/08/01/893010801.db2.gz ABCIGNMVQYCWQG-LLVKDONJSA-N 2 1 288.392 -1.519 20 0 CAADMP COCC[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001486266403 893025303 /nfs/dbraw/zinc/02/53/03/893025303.db2.gz FSMZIICLTWLYOB-VXGBXAGGSA-N 2 1 289.376 -1.628 20 0 CAADMP COCC[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001486266403 893025327 /nfs/dbraw/zinc/02/53/27/893025327.db2.gz FSMZIICLTWLYOB-VXGBXAGGSA-N 2 1 289.376 -1.628 20 0 CAADMP CN(C[C@H](O)C[NH2+]CCCO)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001486268573 893030385 /nfs/dbraw/zinc/03/03/85/893030385.db2.gz SCOOPMRMYJYZBR-NEPJUHHUSA-N 2 1 289.376 -1.892 20 0 CAADMP CN(C[C@H](O)C[NH2+]CCCO)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001486268573 893030404 /nfs/dbraw/zinc/03/04/04/893030404.db2.gz SCOOPMRMYJYZBR-NEPJUHHUSA-N 2 1 289.376 -1.892 20 0 CAADMP C[N@@H+]1CCO[C@@H](C(=O)NC[C@H]([NH2+]CCO)C2CC2)C1 ZINC001490647748 893215286 /nfs/dbraw/zinc/21/52/86/893215286.db2.gz FYEIPGCXBMXAMZ-NWDGAFQWSA-N 2 1 271.361 -1.206 20 0 CAADMP C[N@H+]1CCO[C@@H](C(=O)NC[C@H]([NH2+]CCO)C2CC2)C1 ZINC001490647748 893215305 /nfs/dbraw/zinc/21/53/05/893215305.db2.gz FYEIPGCXBMXAMZ-NWDGAFQWSA-N 2 1 271.361 -1.206 20 0 CAADMP CNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001490956497 893228793 /nfs/dbraw/zinc/22/87/93/893228793.db2.gz WEIYFZSMWMHVSW-DCAQKATOSA-N 2 1 268.361 -1.079 20 0 CAADMP C[N@@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]CCCO)C2)C1 ZINC001491004636 893229438 /nfs/dbraw/zinc/22/94/38/893229438.db2.gz ITFDAPDCSOYALU-GRYCIOLGSA-N 2 1 271.361 -1.064 20 0 CAADMP C[N@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]CCCO)C2)C1 ZINC001491004636 893229448 /nfs/dbraw/zinc/22/94/48/893229448.db2.gz ITFDAPDCSOYALU-GRYCIOLGSA-N 2 1 271.361 -1.064 20 0 CAADMP CNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001491081195 893236470 /nfs/dbraw/zinc/23/64/70/893236470.db2.gz WEIYFZSMWMHVSW-GARJFASQSA-N 2 1 268.361 -1.079 20 0 CAADMP C[N@@H+]1CCO[C@H](C(=O)N2CCC[C@@H](C[NH2+]CC(N)=O)C2)C1 ZINC001491144680 893243818 /nfs/dbraw/zinc/24/38/18/893243818.db2.gz IVTGVZIXLVOGFI-RYUDHWBXSA-N 2 1 298.387 -1.370 20 0 CAADMP C[N@H+]1CCO[C@H](C(=O)N2CCC[C@@H](C[NH2+]CC(N)=O)C2)C1 ZINC001491144680 893243833 /nfs/dbraw/zinc/24/38/33/893243833.db2.gz IVTGVZIXLVOGFI-RYUDHWBXSA-N 2 1 298.387 -1.370 20 0 CAADMP CC[N@@H+]1CCO[C@H](C(=O)NC[C@H](C)[NH2+]CCO)C1 ZINC001491681408 893307291 /nfs/dbraw/zinc/30/72/91/893307291.db2.gz AWJIFAFCALJRRB-QWRGUYRKSA-N 2 1 259.350 -1.206 20 0 CAADMP CC[N@H+]1CCO[C@H](C(=O)NC[C@H](C)[NH2+]CCO)C1 ZINC001491681408 893307308 /nfs/dbraw/zinc/30/73/08/893307308.db2.gz AWJIFAFCALJRRB-QWRGUYRKSA-N 2 1 259.350 -1.206 20 0 CAADMP C[N@@H+]1CCO[C@H](C(=O)N2CC[C@H]([NH2+]CCCO)C2)C1 ZINC001491718640 893308628 /nfs/dbraw/zinc/30/86/28/893308628.db2.gz SWLCPCVOHZYXHG-RYUDHWBXSA-N 2 1 271.361 -1.110 20 0 CAADMP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@@H](C)[NH2+]CCO)C1 ZINC001491681406 893308570 /nfs/dbraw/zinc/30/85/70/893308570.db2.gz AWJIFAFCALJRRB-GHMZBOCLSA-N 2 1 259.350 -1.206 20 0 CAADMP CC[N@H+]1CCO[C@@H](C(=O)NC[C@@H](C)[NH2+]CCO)C1 ZINC001491681406 893308586 /nfs/dbraw/zinc/30/85/86/893308586.db2.gz AWJIFAFCALJRRB-GHMZBOCLSA-N 2 1 259.350 -1.206 20 0 CAADMP C[N@H+]1CCO[C@H](C(=O)N2CC[C@H]([NH2+]CCCO)C2)C1 ZINC001491718640 893308648 /nfs/dbraw/zinc/30/86/48/893308648.db2.gz SWLCPCVOHZYXHG-RYUDHWBXSA-N 2 1 271.361 -1.110 20 0 CAADMP CNC(=O)C[NH2+][C@H](C)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001491673856 893309192 /nfs/dbraw/zinc/30/91/92/893309192.db2.gz PNYVRTVAZNSBDP-ZJUUUORDSA-N 2 1 256.350 -1.222 20 0 CAADMP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@H](C)[NH2+]CCO)C1 ZINC001491681409 893309445 /nfs/dbraw/zinc/30/94/45/893309445.db2.gz AWJIFAFCALJRRB-WDEREUQCSA-N 2 1 259.350 -1.206 20 0 CAADMP CC[N@H+]1CCO[C@@H](C(=O)NC[C@H](C)[NH2+]CCO)C1 ZINC001491681409 893309460 /nfs/dbraw/zinc/30/94/60/893309460.db2.gz AWJIFAFCALJRRB-WDEREUQCSA-N 2 1 259.350 -1.206 20 0 CAADMP C[N@H+]1CC[C@H](C(=O)N2CC[C@@H](C[NH2+]CC(N)=O)C2)C1 ZINC001491855798 893315598 /nfs/dbraw/zinc/31/55/98/893315598.db2.gz HNVDWIXXEZGAGE-QWRGUYRKSA-N 2 1 268.361 -1.139 20 0 CAADMP C[C@H](CCNC(=O)[C@@H]1CCC[N@H+]1C)[NH2+]CC(=O)NC(N)=O ZINC001491992423 893320035 /nfs/dbraw/zinc/32/00/35/893320035.db2.gz UGKKWNDWMQYDTR-ZJUUUORDSA-N 2 1 299.375 -1.240 20 0 CAADMP CN(CC[NH2+][C@@H]1CCC(=O)NC1=O)C(=O)[C@@H]1CCC[N@H+]1C ZINC001493499039 893399356 /nfs/dbraw/zinc/39/93/56/893399356.db2.gz GGHOULRSJSIMDG-MNOVXSKESA-N 2 1 296.371 -1.066 20 0 CAADMP CN(CC[NH2+][C@H]1CCC(=O)NC1=O)C(=O)[C@H]1CCC[N@H+]1C ZINC001493499043 893401149 /nfs/dbraw/zinc/40/11/49/893401149.db2.gz GGHOULRSJSIMDG-WDEREUQCSA-N 2 1 296.371 -1.066 20 0 CAADMP COC[C@H](O)C[NH2+]CCN(C)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001493508197 893402167 /nfs/dbraw/zinc/40/21/67/893402167.db2.gz MONBTKNBXYUGEB-NEPJUHHUSA-N 2 1 289.376 -1.628 20 0 CAADMP COC[C@H](O)C[NH2+]CCN(C)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001493508197 893402177 /nfs/dbraw/zinc/40/21/77/893402177.db2.gz MONBTKNBXYUGEB-NEPJUHHUSA-N 2 1 289.376 -1.628 20 0 CAADMP CN(CC[NH2+]CC(=O)NC(N)=O)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001493600997 893408840 /nfs/dbraw/zinc/40/88/40/893408840.db2.gz UFZBUTZQEOEQCT-JTQLQIEISA-N 2 1 299.375 -1.286 20 0 CAADMP CN(CC[NH2+][C@H]1CCNC1=O)C(=O)CC[NH+]1CCOCC1 ZINC001493733753 893414768 /nfs/dbraw/zinc/41/47/68/893414768.db2.gz ZNAGZJAALZZVEK-LBPRGKRZSA-N 2 1 298.387 -1.355 20 0 CAADMP CN(CC[NH2+][C@@H]1CCNC1=O)C(=O)CC[NH+]1CCOCC1 ZINC001493733752 893415614 /nfs/dbraw/zinc/41/56/14/893415614.db2.gz ZNAGZJAALZZVEK-GFCCVEGCSA-N 2 1 298.387 -1.355 20 0 CAADMP C[N@H+]1CC[C@@H](C(=O)NCC2C[NH+](CCOCCO)C2)C1 ZINC001494626604 893450128 /nfs/dbraw/zinc/45/01/28/893450128.db2.gz YOKIDZIMMWSUQT-CYBMUJFWSA-N 2 1 285.388 -1.005 20 0 CAADMP CNC(=O)C[NH2+]C[C@H](C)CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001495635968 893482418 /nfs/dbraw/zinc/48/24/18/893482418.db2.gz UILKQCPSFGWKNJ-WDEREUQCSA-N 2 1 286.376 -1.595 20 0 CAADMP CNC(=O)C[NH2+]C[C@H](C)CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001495635968 893482426 /nfs/dbraw/zinc/48/24/26/893482426.db2.gz UILKQCPSFGWKNJ-WDEREUQCSA-N 2 1 286.376 -1.595 20 0 CAADMP C[C@@H](C[NH2+]CC(N)=O)N(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001496229459 893514125 /nfs/dbraw/zinc/51/41/25/893514125.db2.gz IEGWRTPXXVOSMU-VHSXEESVSA-N 2 1 256.350 -1.140 20 0 CAADMP Cc1c[nH+]cn1CC(=O)NC[C@H](O)C[NH2+]CCCO ZINC001497019819 893580955 /nfs/dbraw/zinc/58/09/55/893580955.db2.gz ZSBZIXUBRNTCTI-LLVKDONJSA-N 2 1 270.333 -1.359 20 0 CAADMP Cc1[nH+]cc2n1CC[C@@H](C(=O)NC[C@@H](O)C[NH2+]CCO)C2 ZINC001497052026 893592789 /nfs/dbraw/zinc/59/27/89/893592789.db2.gz BWCDFYHVKIFEKX-YPMHNXCESA-N 2 1 296.371 -1.187 20 0 CAADMP Cc1[nH+]cc2n1CC[C@@H](C(=O)NC[C@H](O)C[NH2+]CCO)C2 ZINC001497052022 893593239 /nfs/dbraw/zinc/59/32/39/893593239.db2.gz BWCDFYHVKIFEKX-DGCLKSJQSA-N 2 1 296.371 -1.187 20 0 CAADMP Cc1[nH+]cc2n1C[C@@H](C(=O)NC[C@@H](O)C[NH2+]CCO)CC2 ZINC001497049835 893593960 /nfs/dbraw/zinc/59/39/60/893593960.db2.gz GSLLWCLODIBWCE-AAEUAGOBSA-N 2 1 296.371 -1.187 20 0 CAADMP Cc1[nH+]cc2n1C[C@@H](C(=O)NC[C@H](O)C[NH2+]CCO)CC2 ZINC001497049837 893594106 /nfs/dbraw/zinc/59/41/06/893594106.db2.gz GSLLWCLODIBWCE-WCQYABFASA-N 2 1 296.371 -1.187 20 0 CAADMP CNC(=O)C[NH2+]C[C@@H](O)CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001497091013 893602234 /nfs/dbraw/zinc/60/22/34/893602234.db2.gz CXCOZJIHBFCIRB-WDEREUQCSA-N 2 1 286.376 -1.859 20 0 CAADMP Cc1nnc(C[NH2+]C[C@@H](O)CNC(=O)[C@@H]2CC[N@@H+](C)C2)[nH]1 ZINC001497113681 893605158 /nfs/dbraw/zinc/60/51/58/893605158.db2.gz LMBATSLMZVLCJQ-GHMZBOCLSA-N 2 1 296.375 -1.368 20 0 CAADMP Cc1nnc(C[NH2+]C[C@@H](O)CNC(=O)[C@@H]2CC[N@H+](C)C2)[nH]1 ZINC001497113681 893605163 /nfs/dbraw/zinc/60/51/63/893605163.db2.gz LMBATSLMZVLCJQ-GHMZBOCLSA-N 2 1 296.375 -1.368 20 0 CAADMP COCC[NH2+]C[C@@H](O)CNC(=O)Cn1cc[nH+]c1C ZINC001497109338 893605195 /nfs/dbraw/zinc/60/51/95/893605195.db2.gz GLPSPNRAMRGCBS-LLVKDONJSA-N 2 1 270.333 -1.095 20 0 CAADMP Cc1nnc(C[NH2+]C[C@H](O)CNC(=O)[C@H]2CC[N@@H+](C)C2)[nH]1 ZINC001497113683 893605959 /nfs/dbraw/zinc/60/59/59/893605959.db2.gz LMBATSLMZVLCJQ-QWRGUYRKSA-N 2 1 296.375 -1.368 20 0 CAADMP Cc1nnc(C[NH2+]C[C@H](O)CNC(=O)[C@H]2CC[N@H+](C)C2)[nH]1 ZINC001497113683 893605968 /nfs/dbraw/zinc/60/59/68/893605968.db2.gz LMBATSLMZVLCJQ-QWRGUYRKSA-N 2 1 296.375 -1.368 20 0 CAADMP Cc1nonc1C[NH2+]C[C@@H](O)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001497115975 893608041 /nfs/dbraw/zinc/60/80/41/893608041.db2.gz XVJHFVMZJCZUTP-WDEREUQCSA-N 2 1 297.359 -1.104 20 0 CAADMP Cc1nonc1C[NH2+]C[C@@H](O)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001497115975 893608045 /nfs/dbraw/zinc/60/80/45/893608045.db2.gz XVJHFVMZJCZUTP-WDEREUQCSA-N 2 1 297.359 -1.104 20 0 CAADMP Cc1nonc1C[NH2+]C[C@H](O)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001497115971 893608200 /nfs/dbraw/zinc/60/82/00/893608200.db2.gz XVJHFVMZJCZUTP-QWRGUYRKSA-N 2 1 297.359 -1.104 20 0 CAADMP Cc1nonc1C[NH2+]C[C@H](O)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001497115971 893608203 /nfs/dbraw/zinc/60/82/03/893608203.db2.gz XVJHFVMZJCZUTP-QWRGUYRKSA-N 2 1 297.359 -1.104 20 0 CAADMP CC(C)[N@H+](C)CC(=O)NC[C@@H](O)C[NH2+]Cc1nncn1C ZINC001497115914 893608218 /nfs/dbraw/zinc/60/82/18/893608218.db2.gz ANAYOIBSLXRDHN-NSHDSACASA-N 2 1 298.391 -1.278 20 0 CAADMP CC(C)[N@@H+](C)CC(=O)NC[C@@H](O)C[NH2+]Cc1nncn1C ZINC001497115914 893608223 /nfs/dbraw/zinc/60/82/23/893608223.db2.gz ANAYOIBSLXRDHN-NSHDSACASA-N 2 1 298.391 -1.278 20 0 CAADMP Cc1nonc1C[NH2+]C[C@H](O)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001497115964 893609121 /nfs/dbraw/zinc/60/91/21/893609121.db2.gz XVJHFVMZJCZUTP-MNOVXSKESA-N 2 1 297.359 -1.104 20 0 CAADMP Cc1nonc1C[NH2+]C[C@H](O)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001497115964 893609129 /nfs/dbraw/zinc/60/91/29/893609129.db2.gz XVJHFVMZJCZUTP-MNOVXSKESA-N 2 1 297.359 -1.104 20 0 CAADMP CN(C)C(=O)C[NH2+]C/C=C/CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001497551202 893623746 /nfs/dbraw/zinc/62/37/46/893623746.db2.gz BELSXFCKDKHGDG-ZYOFXKKJSA-N 2 1 298.387 -1.333 20 0 CAADMP CN(C)C(=O)C[NH2+]C/C=C/CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001497551202 893623760 /nfs/dbraw/zinc/62/37/60/893623760.db2.gz BELSXFCKDKHGDG-ZYOFXKKJSA-N 2 1 298.387 -1.333 20 0 CAADMP C[N@H+]1CCC[C@@H]1C(=O)NC/C=C\C[NH2+]CC(N)=O ZINC001497650616 893628032 /nfs/dbraw/zinc/62/80/32/893628032.db2.gz QVMLYFFUDRBZJP-MXQLGCADSA-N 2 1 254.334 -1.172 20 0 CAADMP Cc1c[nH+]cn1CC(=O)NC/C=C/C[NH2+]CC(N)=O ZINC001497633273 893628115 /nfs/dbraw/zinc/62/81/15/893628115.db2.gz PPUMMMSLEMBIFE-NSCUHMNNSA-N 2 1 265.317 -1.061 20 0 CAADMP C[C@H](C[NH2+][C@@H](C)C(=O)NC(N)=O)NC(=O)[C@H]1CCC[N@H+]1C ZINC001497877373 893639320 /nfs/dbraw/zinc/63/93/20/893639320.db2.gz NGGQUHRFQILHOZ-KXUCPTDWSA-N 2 1 299.375 -1.242 20 0 CAADMP CNC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001497984121 893644601 /nfs/dbraw/zinc/64/46/01/893644601.db2.gz UXVJOZMULIZGFC-ZJUUUORDSA-N 2 1 256.350 -1.222 20 0 CAADMP Cc1[nH+]ccn1CC(=O)N[C@H](C)C[NH2+]CC(=O)NC(N)=O ZINC001497986001 893645258 /nfs/dbraw/zinc/64/52/58/893645258.db2.gz BSPDQLIRLMNJHQ-MRVPVSSYSA-N 2 1 296.331 -1.519 20 0 CAADMP CNC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001497984119 893645980 /nfs/dbraw/zinc/64/59/80/893645980.db2.gz UXVJOZMULIZGFC-NXEZZACHSA-N 2 1 256.350 -1.222 20 0 CAADMP Cc1c[nH+]cn1CC(=O)N[C@@H](C)C[NH2+]CC(=O)NC(N)=O ZINC001498073138 893651793 /nfs/dbraw/zinc/65/17/93/893651793.db2.gz YZESVMTYNBBREW-QMMMGPOBSA-N 2 1 296.331 -1.519 20 0 CAADMP C[N@H+]1CC[C@H](C(=O)N[C@H](C[NH2+]CC(N)=O)C2CC2)C1 ZINC001498860602 893694043 /nfs/dbraw/zinc/69/40/43/893694043.db2.gz AKYUKXCSFWRJHH-WDEREUQCSA-N 2 1 268.361 -1.092 20 0 CAADMP CC[N@@H+]1CCO[C@@H](C(=O)N2CCC[C@H]2C[NH2+]CC(N)=O)C1 ZINC001499952874 893729561 /nfs/dbraw/zinc/72/95/61/893729561.db2.gz MEHAZSNHXQCVAS-NWDGAFQWSA-N 2 1 298.387 -1.227 20 0 CAADMP CC[N@H+]1CCO[C@@H](C(=O)N2CCC[C@H]2C[NH2+]CC(N)=O)C1 ZINC001499952874 893729568 /nfs/dbraw/zinc/72/95/68/893729568.db2.gz MEHAZSNHXQCVAS-NWDGAFQWSA-N 2 1 298.387 -1.227 20 0 CAADMP CCC[NH+](C)CC(=O)NC[C@@]1(O)CC[N@@H+](CCO)C1 ZINC001500754132 893751403 /nfs/dbraw/zinc/75/14/03/893751403.db2.gz MAIJPRUWGRLENX-ZDUSSCGKSA-N 2 1 273.377 -1.127 20 0 CAADMP CCC[N@@H+](C)CC(=O)NC[C@@]1(O)CC[NH+](CCO)C1 ZINC001500754132 893751387 /nfs/dbraw/zinc/75/13/87/893751387.db2.gz MAIJPRUWGRLENX-ZDUSSCGKSA-N 2 1 273.377 -1.127 20 0 CAADMP CCC[NH+](C)CC(=O)NC[C@@]1(O)CC[N@H+](CCO)C1 ZINC001500754132 893751393 /nfs/dbraw/zinc/75/13/93/893751393.db2.gz MAIJPRUWGRLENX-ZDUSSCGKSA-N 2 1 273.377 -1.127 20 0 CAADMP CNC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001500758529 893752071 /nfs/dbraw/zinc/75/20/71/893752071.db2.gz FCUMJONEYMSJPH-FZMZJTMJSA-N 2 1 298.387 -1.763 20 0 CAADMP CNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001500758529 893752079 /nfs/dbraw/zinc/75/20/79/893752079.db2.gz FCUMJONEYMSJPH-FZMZJTMJSA-N 2 1 298.387 -1.763 20 0 CAADMP CNC(=O)C[NH+]1CC[C@](O)(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001500758529 893752088 /nfs/dbraw/zinc/75/20/88/893752088.db2.gz FCUMJONEYMSJPH-FZMZJTMJSA-N 2 1 298.387 -1.763 20 0 CAADMP CNC(=O)C[NH+]1CC[C@](O)(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001500758529 893752096 /nfs/dbraw/zinc/75/20/96/893752096.db2.gz FCUMJONEYMSJPH-FZMZJTMJSA-N 2 1 298.387 -1.763 20 0 CAADMP CCC[N@@H+](C)CC(=O)NC[C@]1(O)CC[NH+](CCO)C1 ZINC001500754131 893752475 /nfs/dbraw/zinc/75/24/75/893752475.db2.gz MAIJPRUWGRLENX-CYBMUJFWSA-N 2 1 273.377 -1.127 20 0 CAADMP CCC[NH+](C)CC(=O)NC[C@]1(O)CC[N@H+](CCO)C1 ZINC001500754131 893752485 /nfs/dbraw/zinc/75/24/85/893752485.db2.gz MAIJPRUWGRLENX-CYBMUJFWSA-N 2 1 273.377 -1.127 20 0 CAADMP CCC[NH+](C)CC(=O)NC[C@]1(O)CC[N@@H+](CCO)C1 ZINC001500754131 893752496 /nfs/dbraw/zinc/75/24/96/893752496.db2.gz MAIJPRUWGRLENX-CYBMUJFWSA-N 2 1 273.377 -1.127 20 0 CAADMP C[N@H+]1CC[C@H](CC(=O)NC[C@]2(O)CC[NH+](CCO)C2)C1 ZINC001500751738 893753307 /nfs/dbraw/zinc/75/33/07/893753307.db2.gz ZBABAKMZILISJM-TZMCWYRMSA-N 2 1 285.388 -1.127 20 0 CAADMP C[NH+]1CC[C@H](CC(=O)NC[C@]2(O)CC[N@H+](CCO)C2)C1 ZINC001500751738 893753315 /nfs/dbraw/zinc/75/33/15/893753315.db2.gz ZBABAKMZILISJM-TZMCWYRMSA-N 2 1 285.388 -1.127 20 0 CAADMP C[NH+]1CC[C@H](CC(=O)NC[C@]2(O)CC[N@@H+](CCO)C2)C1 ZINC001500751738 893753324 /nfs/dbraw/zinc/75/33/24/893753324.db2.gz ZBABAKMZILISJM-TZMCWYRMSA-N 2 1 285.388 -1.127 20 0 CAADMP C[C@@H](O)C[NH2+]CCN(CCO)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001501445530 893797609 /nfs/dbraw/zinc/79/76/09/893797609.db2.gz LZZWFHNMFFAEKB-NEPJUHHUSA-N 2 1 289.376 -1.892 20 0 CAADMP C[C@@H](O)C[NH2+]CCN(CCO)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001501445530 893797612 /nfs/dbraw/zinc/79/76/12/893797612.db2.gz LZZWFHNMFFAEKB-NEPJUHHUSA-N 2 1 289.376 -1.892 20 0 CAADMP Cc1c[nH+]cn1CC(=O)N(CCO)CC[NH2+][C@H](C)C(N)=O ZINC001501474839 893804115 /nfs/dbraw/zinc/80/41/15/893804115.db2.gz NAEUWZNUEQUYCE-LLVKDONJSA-N 2 1 297.359 -1.524 20 0 CAADMP C[N@@H+]1CCO[C@H](C(=O)N2CC[C@H](CC[NH2+]CC(N)=O)C2)C1 ZINC001501552257 893817461 /nfs/dbraw/zinc/81/74/61/893817461.db2.gz PLKHQROAOVYOAZ-RYUDHWBXSA-N 2 1 298.387 -1.370 20 0 CAADMP C[N@H+]1CCO[C@H](C(=O)N2CC[C@H](CC[NH2+]CC(N)=O)C2)C1 ZINC001501552257 893817477 /nfs/dbraw/zinc/81/74/77/893817477.db2.gz PLKHQROAOVYOAZ-RYUDHWBXSA-N 2 1 298.387 -1.370 20 0 CAADMP Cc1[nH+]ccn1CC(=O)N1CCO[C@H](C[NH2+]CC(N)=O)C1 ZINC001502092064 893839973 /nfs/dbraw/zinc/83/99/73/893839973.db2.gz HMQQDMZLXRYSGQ-LLVKDONJSA-N 2 1 295.343 -1.506 20 0 CAADMP CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)CCO1 ZINC001502092099 893841919 /nfs/dbraw/zinc/84/19/19/893841919.db2.gz ICYHPRYBAFLSML-VXGBXAGGSA-N 2 1 298.387 -1.499 20 0 CAADMP C[N@H+]1CC[C@H](C(=O)NC2CC(C[NH2+]CC(N)=O)C2)C1 ZINC001505536113 893880580 /nfs/dbraw/zinc/88/05/80/893880580.db2.gz MWIJVFBDOPIJKT-YVNMAJEFSA-N 2 1 268.361 -1.092 20 0 CAADMP C[C@H](CNC(=O)CC[NH+](C)C)[N@H+](C)CC(=O)NC(N)=O ZINC001505992911 893909756 /nfs/dbraw/zinc/90/97/56/893909756.db2.gz KNMNSCCSASCANL-SECBINFHSA-N 2 1 287.364 -1.431 20 0 CAADMP C[C@H](CNC(=O)CC[NH+](C)C)[N@@H+](C)CC(=O)NC(N)=O ZINC001505992911 893909762 /nfs/dbraw/zinc/90/97/62/893909762.db2.gz KNMNSCCSASCANL-SECBINFHSA-N 2 1 287.364 -1.431 20 0 CAADMP CN(C)C(=O)C[NH2+][C@@H](CO)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001507260780 894028584 /nfs/dbraw/zinc/02/85/84/894028584.db2.gz NPKHIUOPZCYGRK-WDEREUQCSA-N 2 1 286.376 -1.907 20 0 CAADMP CN(CCOCC[NH2+]CC(N)=O)C(=O)[C@@H]1CCC[N@H+]1C ZINC001508172159 894086185 /nfs/dbraw/zinc/08/61/85/894086185.db2.gz CUXHQSPRYANOOR-NSHDSACASA-N 2 1 286.376 -1.370 20 0 CAADMP C[C@H]1CN2CC[N@H+]1C[C@@H]2C(=O)NCCCN1CC[NH2+]CC1 ZINC001521145237 894200973 /nfs/dbraw/zinc/20/09/73/894200973.db2.gz QBDGRSDBZSRJDW-UONOGXRCSA-N 2 1 295.431 -1.214 20 0 CAADMP CC[C@H]1COCC[N@@H+]1CCNC(=O)C[C@H](O)C[NH3+] ZINC001522419130 894219370 /nfs/dbraw/zinc/21/93/70/894219370.db2.gz WECLJFSPSFECMQ-QWRGUYRKSA-N 2 1 259.350 -1.077 20 0 CAADMP CC[C@H]1COCC[N@H+]1CCNC(=O)C[C@H](O)C[NH3+] ZINC001522419130 894219388 /nfs/dbraw/zinc/21/93/88/894219388.db2.gz WECLJFSPSFECMQ-QWRGUYRKSA-N 2 1 259.350 -1.077 20 0 CAADMP CC[C@H]1COCC[N@@H+]1CCNC(=O)C[C@@H](O)C[NH3+] ZINC001522419132 894219125 /nfs/dbraw/zinc/21/91/25/894219125.db2.gz WECLJFSPSFECMQ-WDEREUQCSA-N 2 1 259.350 -1.077 20 0 CAADMP CC[C@H]1COCC[N@H+]1CCNC(=O)C[C@@H](O)C[NH3+] ZINC001522419132 894219142 /nfs/dbraw/zinc/21/91/42/894219142.db2.gz WECLJFSPSFECMQ-WDEREUQCSA-N 2 1 259.350 -1.077 20 0 CAADMP CC[C@@H]1COCC[N@@H+]1CCNC(=O)C[C@H](O)C[NH3+] ZINC001522419129 894219285 /nfs/dbraw/zinc/21/92/85/894219285.db2.gz WECLJFSPSFECMQ-MNOVXSKESA-N 2 1 259.350 -1.077 20 0 CAADMP CC[C@@H]1COCC[N@H+]1CCNC(=O)C[C@H](O)C[NH3+] ZINC001522419129 894219299 /nfs/dbraw/zinc/21/92/99/894219299.db2.gz WECLJFSPSFECMQ-MNOVXSKESA-N 2 1 259.350 -1.077 20 0 CAADMP NC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC001522611890 894241292 /nfs/dbraw/zinc/24/12/92/894241292.db2.gz KNMNXNBWYMDHTK-PHIMTYICSA-N 2 1 266.345 -1.101 20 0 CAADMP NC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC001522611890 894241304 /nfs/dbraw/zinc/24/13/04/894241304.db2.gz KNMNXNBWYMDHTK-PHIMTYICSA-N 2 1 266.345 -1.101 20 0 CAADMP COCC[NH2+]CC(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCN1C ZINC001524029475 894275030 /nfs/dbraw/zinc/27/50/30/894275030.db2.gz NLIZASCNXANLMH-RYUDHWBXSA-N 2 1 272.393 -1.027 20 0 CAADMP C[C@H]1OCC[NH2+][C@@H]1C(=O)NCC1([NH3+])CCOCC1 ZINC001548468603 894486221 /nfs/dbraw/zinc/48/62/21/894486221.db2.gz DLSTWOMYVQGBJX-ZJUUUORDSA-N 2 1 257.334 -1.013 20 0 CAADMP O=C(C[C@@]1(O)CCC[NH2+]C1)N1CC[NH+](CCO)CC1 ZINC001548559370 894487585 /nfs/dbraw/zinc/48/75/85/894487585.db2.gz VXPSMKBNQXXHBK-ZDUSSCGKSA-N 2 1 271.361 -1.373 20 0 CAADMP O=C([C@@H]1COCC[NH2+]1)N1CCC[C@H]([NH2+]CCO)C1 ZINC001548574880 894489119 /nfs/dbraw/zinc/48/91/19/894489119.db2.gz RRFSHQAEXJNIEN-QWRGUYRKSA-N 2 1 257.334 -1.452 20 0 CAADMP O=C([C@H]1COCC[NH2+]1)N1CCC[C@@H]([NH2+]CCO)C1 ZINC001548574878 894489735 /nfs/dbraw/zinc/48/97/35/894489735.db2.gz RRFSHQAEXJNIEN-GHMZBOCLSA-N 2 1 257.334 -1.452 20 0 CAADMP O=C([C@@H]1COCC[NH2+]1)N1CCC[C@@H]([NH2+]CCO)C1 ZINC001548574879 894490150 /nfs/dbraw/zinc/49/01/50/894490150.db2.gz RRFSHQAEXJNIEN-MNOVXSKESA-N 2 1 257.334 -1.452 20 0 CAADMP C[C@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N1CC(N2CC[C@@H](O)C2)C1 ZINC001548725141 894497731 /nfs/dbraw/zinc/49/77/31/894497731.db2.gz OLOXLMAJKOLYLA-IACUBPJLSA-N 2 1 294.399 -1.348 20 0 CAADMP C[C@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)N1CC([NH+]2CC[C@@H](O)C2)C1 ZINC001548725141 894497740 /nfs/dbraw/zinc/49/77/40/894497740.db2.gz OLOXLMAJKOLYLA-IACUBPJLSA-N 2 1 294.399 -1.348 20 0 CAADMP C[C@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N1CC([NH+]2CC[C@@H](O)C2)C1 ZINC001548725141 894497749 /nfs/dbraw/zinc/49/77/49/894497749.db2.gz OLOXLMAJKOLYLA-IACUBPJLSA-N 2 1 294.399 -1.348 20 0 CAADMP C[C@H]1CN2CC[NH+]1C[C@@H]2C(=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC001548725141 894497757 /nfs/dbraw/zinc/49/77/57/894497757.db2.gz OLOXLMAJKOLYLA-IACUBPJLSA-N 2 1 294.399 -1.348 20 0 CAADMP C[C@@H]1CN2CCN1C[C@@H]2C(=O)N1CCN(C)C[C@@H]1CO ZINC001548730986 894498003 /nfs/dbraw/zinc/49/80/03/894498003.db2.gz UBVBOOMILAAXEV-JHJVBQTASA-N 2 1 282.388 -1.490 20 0 CAADMP C[C@H]1CN2CC[N@H+]1C[C@H]2C(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC001548726880 894499869 /nfs/dbraw/zinc/49/98/69/894499869.db2.gz OLDGGXWSWBTPDH-FQUUOJAGSA-N 2 1 294.399 -1.348 20 0 CAADMP C[C@H]1CN2CC[NH+]1C[C@H]2C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC001548726880 894499875 /nfs/dbraw/zinc/49/98/75/894499875.db2.gz OLDGGXWSWBTPDH-FQUUOJAGSA-N 2 1 294.399 -1.348 20 0 CAADMP C[C@H]1CN2CC[N@H+]1C[C@H]2C(=O)N1CC(N2CC[C@@H](O)C2)C1 ZINC001548725145 894500164 /nfs/dbraw/zinc/50/01/64/894500164.db2.gz OLOXLMAJKOLYLA-YUTCNCBUSA-N 2 1 294.399 -1.348 20 0 CAADMP C[C@H]1CN2CC[N@@H+]1C[C@H]2C(=O)N1CC([NH+]2CC[C@@H](O)C2)C1 ZINC001548725145 894500177 /nfs/dbraw/zinc/50/01/77/894500177.db2.gz OLOXLMAJKOLYLA-YUTCNCBUSA-N 2 1 294.399 -1.348 20 0 CAADMP C[C@H]1CN2CC[N@H+]1C[C@H]2C(=O)N1CC([NH+]2CC[C@@H](O)C2)C1 ZINC001548725145 894500189 /nfs/dbraw/zinc/50/01/89/894500189.db2.gz OLOXLMAJKOLYLA-YUTCNCBUSA-N 2 1 294.399 -1.348 20 0 CAADMP C[C@H]1CN2CC[NH+]1C[C@H]2C(=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC001548725145 894500202 /nfs/dbraw/zinc/50/02/02/894500202.db2.gz OLOXLMAJKOLYLA-YUTCNCBUSA-N 2 1 294.399 -1.348 20 0 CAADMP C[C@H]1CN2CC[N@H+]1C[C@@H]2C(=O)NCC[NH+]1CC[C@H](O)C1 ZINC001548733649 894502231 /nfs/dbraw/zinc/50/22/31/894502231.db2.gz BRYAXHQTMCCCLD-RWMBFGLXSA-N 2 1 282.388 -1.443 20 0 CAADMP C[C@H]1CN2CC[NH+]1C[C@@H]2C(=O)NCC[N@@H+]1CC[C@H](O)C1 ZINC001548733649 894502246 /nfs/dbraw/zinc/50/22/46/894502246.db2.gz BRYAXHQTMCCCLD-RWMBFGLXSA-N 2 1 282.388 -1.443 20 0 CAADMP C[C@H]1CN2CC[NH+]1C[C@@H]2C(=O)NCC[N@H+]1CC[C@H](O)C1 ZINC001548733649 894502261 /nfs/dbraw/zinc/50/22/61/894502261.db2.gz BRYAXHQTMCCCLD-RWMBFGLXSA-N 2 1 282.388 -1.443 20 0 CAADMP C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)N1CC[C@@](O)(C[NH+](C)C)C1 ZINC001548745527 894502690 /nfs/dbraw/zinc/50/26/90/894502690.db2.gz QEMAJRHGKAMGCK-VNHYZAJKSA-N 2 1 296.415 -1.100 20 0 CAADMP C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)NCC[NH+]1CC[C@H](O)C1 ZINC001548733646 894503154 /nfs/dbraw/zinc/50/31/54/894503154.db2.gz BRYAXHQTMCCCLD-AGIUHOORSA-N 2 1 282.388 -1.443 20 0 CAADMP C[C@@H]1CN2CC[NH+]1C[C@H]2C(=O)NCC[N@@H+]1CC[C@H](O)C1 ZINC001548733646 894503161 /nfs/dbraw/zinc/50/31/61/894503161.db2.gz BRYAXHQTMCCCLD-AGIUHOORSA-N 2 1 282.388 -1.443 20 0 CAADMP C[C@@H]1CN2CC[NH+]1C[C@H]2C(=O)NCC[N@H+]1CC[C@H](O)C1 ZINC001548733646 894503167 /nfs/dbraw/zinc/50/31/67/894503167.db2.gz BRYAXHQTMCCCLD-AGIUHOORSA-N 2 1 282.388 -1.443 20 0 CAADMP C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N1CC[C@](O)(C[NH+](C)C)C1 ZINC001548745522 894503253 /nfs/dbraw/zinc/50/32/53/894503253.db2.gz QEMAJRHGKAMGCK-NFAWXSAZSA-N 2 1 296.415 -1.100 20 0 CAADMP C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)NC[C@]1(CO)COCC[NH2+]1 ZINC001548733495 894503453 /nfs/dbraw/zinc/50/34/53/894503453.db2.gz HTKJFBMTNKJAGM-BZPMIXESSA-N 2 1 298.387 -2.158 20 0 CAADMP C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)NC[C@]1(CO)COCC[NH2+]1 ZINC001548733495 894503462 /nfs/dbraw/zinc/50/34/62/894503462.db2.gz HTKJFBMTNKJAGM-BZPMIXESSA-N 2 1 298.387 -2.158 20 0 CAADMP C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)NC[C@@]1(CO)COCC[NH2+]1 ZINC001548733498 894504428 /nfs/dbraw/zinc/50/44/28/894504428.db2.gz HTKJFBMTNKJAGM-YRGRVCCFSA-N 2 1 298.387 -2.158 20 0 CAADMP C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)NC[C@@]1(CO)COCC[NH2+]1 ZINC001548733498 894504433 /nfs/dbraw/zinc/50/44/33/894504433.db2.gz HTKJFBMTNKJAGM-YRGRVCCFSA-N 2 1 298.387 -2.158 20 0 CAADMP C[NH+](C)C[C@]1(O)CCN(C(=O)[C@@]2(C)C[C@@H](O)C[N@H+]2C)C1 ZINC001548749946 894505015 /nfs/dbraw/zinc/50/50/15/894505015.db2.gz GTEASAUMXJYQKV-MRVWCRGKSA-N 2 1 285.388 -1.034 20 0 CAADMP O=C([C@@H]1COCC[NH2+]1)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC001549044580 894506853 /nfs/dbraw/zinc/50/68/53/894506853.db2.gz YOUFNCXATHLXPB-NEPJUHHUSA-N 2 1 268.361 -1.519 20 0 CAADMP C[C@@H]1OCC[NH2+][C@@H]1C(=O)N1CC[C@@H]2OCC[NH2+][C@H]2C1 ZINC001549044995 894507095 /nfs/dbraw/zinc/50/70/95/894507095.db2.gz NZNMKWXKZITJQF-BJDJZHNGSA-N 2 1 269.345 -1.047 20 0 CAADMP O=C([C@@H]1COCC[NH2+]1)N1CC[C@@H]2OCC[NH2+][C@H]2C1 ZINC001549045157 894507243 /nfs/dbraw/zinc/50/72/43/894507243.db2.gz ZCPGNAPIFDJCMK-DCAQKATOSA-N 2 1 255.318 -1.436 20 0 CAADMP O=C([C@H]1COCC[NH2+]1)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC001549044585 894507278 /nfs/dbraw/zinc/50/72/78/894507278.db2.gz YOUFNCXATHLXPB-VXGBXAGGSA-N 2 1 268.361 -1.519 20 0 CAADMP C[C@@H]1OCC[NH2+][C@@H]1C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC001549046362 894507393 /nfs/dbraw/zinc/50/73/93/894507393.db2.gz RLJZROKFJBZORU-DCAQKATOSA-N 2 1 257.334 -1.142 20 0 CAADMP C[C@@H]1OCC[NH2+][C@@H]1C(=O)N1CC[C@@H]2OCC[NH2+][C@@H]2C1 ZINC001549044997 894508016 /nfs/dbraw/zinc/50/80/16/894508016.db2.gz NZNMKWXKZITJQF-USZNOCQGSA-N 2 1 269.345 -1.047 20 0 CAADMP C[C@@H]1OCC[NH2+][C@@H]1C(=O)N1CC[C@H]2OCC[NH2+][C@@H]2C1 ZINC001549044996 894508205 /nfs/dbraw/zinc/50/82/05/894508205.db2.gz NZNMKWXKZITJQF-QCNOEVLYSA-N 2 1 269.345 -1.047 20 0 CAADMP C[C@@H]1OCC[NH2+][C@@H]1C(=O)N1CC[C@H]2OCC[NH2+][C@H]2C1 ZINC001549044998 894508254 /nfs/dbraw/zinc/50/82/54/894508254.db2.gz NZNMKWXKZITJQF-YFKTTZPYSA-N 2 1 269.345 -1.047 20 0 CAADMP O=C(NC[C@@H]1C[NH2+]CCCO1)N1CC[N@H+]2C[C@@H](O)C[C@H]2C1 ZINC001549176896 894510211 /nfs/dbraw/zinc/51/02/11/894510211.db2.gz ZVXDOYLTNAERTL-AVGNSLFASA-N 2 1 298.387 -1.175 20 0 CAADMP NC(=O)C[C@@H]([NH3+])C(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC001549128376 894510581 /nfs/dbraw/zinc/51/05/81/894510581.db2.gz LSWGCDPDYYXYBT-SBMIAAHKSA-N 2 1 254.334 -1.224 20 0 CAADMP [NH3+]Cc1cn([C@@H]2CCCN(C(=O)[C@H]3COCC[NH2+]3)C2)nn1 ZINC001549047562 894511025 /nfs/dbraw/zinc/51/10/25/894511025.db2.gz SSRZCRCEQYHAOD-VXGBXAGGSA-N 2 1 294.359 -1.111 20 0 CAADMP Cn1cc([C@@H]2CN(C(=O)[C@H]3COCC[NH2+]3)C[C@@H]2[NH3+])cn1 ZINC001549049675 894511994 /nfs/dbraw/zinc/51/19/94/894511994.db2.gz GJXAAOXLGAYAEC-SDDRHHMPSA-N 2 1 279.344 -1.338 20 0 CAADMP O=C(NCc1cnn2c1C[NH2+]CC2)[C@@H]1C[NH2+]CCOC1 ZINC001549721188 894521110 /nfs/dbraw/zinc/52/11/10/894521110.db2.gz MDXUKOGAUVPPAB-LLVKDONJSA-N 2 1 279.344 -1.162 20 0 CAADMP O=C(NCc1cnn2c1C[NH2+]CC2)[C@]12C[NH2+]C[C@H]1COC2 ZINC001549720990 894522428 /nfs/dbraw/zinc/52/24/28/894522428.db2.gz JECJVQAEXRUAIZ-FZMZJTMJSA-N 2 1 291.355 -1.162 20 0 CAADMP O=C(NCc1cnn2c1C[NH2+]CC2)[C@@]12C[NH2+]C[C@@H]1COC2 ZINC001549720987 894522889 /nfs/dbraw/zinc/52/28/89/894522889.db2.gz JECJVQAEXRUAIZ-BXUZGUMPSA-N 2 1 291.355 -1.162 20 0 CAADMP Cn1ccnc1[C@@H]1C[NH2+]CCN1C(=O)CN1CC[NH2+]CC1 ZINC001550060575 894526311 /nfs/dbraw/zinc/52/63/11/894526311.db2.gz LDLKRGYQABTHSK-LBPRGKRZSA-N 2 1 292.387 -1.202 20 0 CAADMP C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]([NH3+])CC(N)=O)CC[C@H]21 ZINC001550104240 894529588 /nfs/dbraw/zinc/52/95/88/894529588.db2.gz JFNWOCXPFBCREN-OPRDCNLKSA-N 2 1 254.334 -1.258 20 0 CAADMP C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]([NH3+])CC(N)=O)CC[C@H]21 ZINC001550104240 894529598 /nfs/dbraw/zinc/52/95/98/894529598.db2.gz JFNWOCXPFBCREN-OPRDCNLKSA-N 2 1 254.334 -1.258 20 0 CAADMP C[C@@H]1OCC[NH2+][C@@H]1C(=O)NCc1cn([C@@H]2CC[NH2+]C2)nn1 ZINC001550087388 894529948 /nfs/dbraw/zinc/52/99/48/894529948.db2.gz RRORUSDOHWCERU-WCQGTBRESA-N 2 1 294.359 -1.194 20 0 CAADMP C[C@@H]1OCC[NH2+][C@@H]1C(=O)N1CC[C@H](n2cc(C[NH3+])nn2)C1 ZINC001550096577 894530559 /nfs/dbraw/zinc/53/05/59/894530559.db2.gz LPWOMWIWOMHQRZ-DLOVCJGASA-N 2 1 294.359 -1.113 20 0 CAADMP CO[C@H](C[NH3+])C(=O)N1CC[NH2+]C[C@@H]1c1nccn1C ZINC001550184150 894531667 /nfs/dbraw/zinc/53/16/67/894531667.db2.gz MVZVSFUFVQZALO-NXEZZACHSA-N 2 1 267.333 -1.133 20 0 CAADMP N[C@H]1CN(C(=O)N[C@H]2CC[NH2+]C23CCC3)C[C@H]1[NH3+] ZINC001550269514 894532443 /nfs/dbraw/zinc/53/24/43/894532443.db2.gz CNORRCXIILKQJE-AEJSXWLSSA-N 2 1 253.350 -1.049 20 0 CAADMP CN1CC[NH+]([C@H]2CCN(C(=O)CN3CC[NH2+]CC3)C2)CC1 ZINC001550116369 894534780 /nfs/dbraw/zinc/53/47/80/894534780.db2.gz NBNWIXXJGLWIJA-AWEZNQCLSA-N 2 1 295.431 -1.260 20 0 CAADMP O=C(NCC12CC(C1)C[NH2+]2)N1CC[C@H]2[NH2+]CC(=O)N[C@H]2C1 ZINC001550739617 894537706 /nfs/dbraw/zinc/53/77/06/894537706.db2.gz CIWMDRCZKATDGZ-PYUIQPRZSA-N 2 1 293.371 -1.390 20 0 CAADMP O=C(NCC12CC(C1)C[NH2+]2)N1CC[C@H]2[NH2+]CC(=O)N[C@@H]2C1 ZINC001550739612 894537929 /nfs/dbraw/zinc/53/79/29/894537929.db2.gz CIWMDRCZKATDGZ-JXRVJTEKSA-N 2 1 293.371 -1.390 20 0 CAADMP CNC(=O)[C@@]12C[N@H+]([C@@H]3C[C@@H]([NH3+])C[C@@H]3O)C[C@H]1COCC2 ZINC001551405345 894538603 /nfs/dbraw/zinc/53/86/03/894538603.db2.gz ARJXUTZTKXDHKP-HXNLIRTISA-N 2 1 283.372 -1.079 20 0 CAADMP CNC(=O)C[NH+]1CCC(NC(=O)[C@@H]2C[NH2+]CCOC2)CC1 ZINC001552166764 894543711 /nfs/dbraw/zinc/54/37/11/894543711.db2.gz CLJAIIJVLDJCLX-LLVKDONJSA-N 2 1 298.387 -1.451 20 0 CAADMP CNC(=O)C[NH+]1CCC(NC(=O)[C@H]2C[NH2+]CCOC2)CC1 ZINC001552166765 894545146 /nfs/dbraw/zinc/54/51/46/894545146.db2.gz CLJAIIJVLDJCLX-NSHDSACASA-N 2 1 298.387 -1.451 20 0 CAADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)[C@@]12C[NH2+]C[C@@H]1COC2 ZINC001552203226 894547205 /nfs/dbraw/zinc/54/72/05/894547205.db2.gz WSQQZXFITJVTQV-YRGRVCCFSA-N 2 1 282.388 -1.416 20 0 CAADMP N[C@H]1CN(C(=O)N2CCC[C@@H]3[NH2+]CC[C@H]32)C[C@H]1[NH3+] ZINC001552959940 894557186 /nfs/dbraw/zinc/55/71/86/894557186.db2.gz IZLMBJTYQNQQAX-ZRUFSTJUSA-N 2 1 253.350 -1.097 20 0 CAADMP C[N@H+]1CC[C@]2(C(=O)NCCC(N)=O)C[NH2+]C[C@H]2C1 ZINC001553386618 894558835 /nfs/dbraw/zinc/55/88/35/894558835.db2.gz WSCJJJIMCQPOJK-CABZTGNLSA-N 2 1 254.334 -1.481 20 0 CAADMP C[N@H+]1CC[C@@]2(C(=O)NCCC(N)=O)C[NH2+]C[C@H]2C1 ZINC001553386619 894559242 /nfs/dbraw/zinc/55/92/42/894559242.db2.gz WSCJJJIMCQPOJK-JOYOIKCWSA-N 2 1 254.334 -1.481 20 0 CAADMP C[N@H+]1CC[C@@]2(C(=O)NCCC(N)=O)C[NH2+]C[C@@H]2C1 ZINC001553386616 894559533 /nfs/dbraw/zinc/55/95/33/894559533.db2.gz WSCJJJIMCQPOJK-BXKDBHETSA-N 2 1 254.334 -1.481 20 0 CAADMP [NH3+][C@@H]1C[C@@H]2C[N@@H+](C[C@H]3C[C@@]4(CC[NH2+]C4)CO3)CCN2C1=O ZINC001553304924 894559598 /nfs/dbraw/zinc/55/95/98/894559598.db2.gz PABKHVZTTVURHU-RGCMKSIDSA-N 3 1 294.399 -1.001 20 0 CAADMP [NH3+][C@@H]1C[C@@H]2CN(C[C@H]3C[C@@]4(CC[NH2+]C4)CO3)CCN2C1=O ZINC001553304924 894559610 /nfs/dbraw/zinc/55/96/10/894559610.db2.gz PABKHVZTTVURHU-RGCMKSIDSA-N 2 1 294.399 -1.001 20 0 CAADMP C[N@H+]1CC[C@@]2(C(=O)NCCN3CC[NH2+]CC3)C[NH2+]C[C@H]2C1 ZINC001553355804 894559723 /nfs/dbraw/zinc/55/97/23/894559723.db2.gz VYBPBIFADAXDDV-DZGCQCFKSA-N 3 1 295.431 -1.451 20 0 CAADMP CN1CC[C@@]2(C(=O)NCCN3CC[NH2+]CC3)C[NH2+]C[C@H]2C1 ZINC001553355804 894559733 /nfs/dbraw/zinc/55/97/33/894559733.db2.gz VYBPBIFADAXDDV-DZGCQCFKSA-N 2 1 295.431 -1.451 20 0 CAADMP CC(=O)NCCNC(=O)[C@@]12C[NH2+]C[C@@H]1C[N@@H+](C)CC2 ZINC001553368756 894560075 /nfs/dbraw/zinc/56/00/75/894560075.db2.gz MYIUMYFMQICERO-YPMHNXCESA-N 2 1 268.361 -1.220 20 0 CAADMP CC(=O)NCCNC(=O)[C@]12C[NH2+]C[C@@H]1C[N@@H+](C)CC2 ZINC001553368750 894560116 /nfs/dbraw/zinc/56/01/16/894560116.db2.gz MYIUMYFMQICERO-DGCLKSJQSA-N 2 1 268.361 -1.220 20 0 CAADMP C[N@H+]1CC[C@]2(C(=O)NCC(=O)NC3CC3)C[NH2+]C[C@@H]2C1 ZINC001553372868 894560420 /nfs/dbraw/zinc/56/04/20/894560420.db2.gz SLPHMKQWTCMDDC-YGRLFVJLSA-N 2 1 280.372 -1.078 20 0 CAADMP [NH3+][C@@H]1C[C@@H]2C[N@@H+](C[C@@H]3C[C@]4(CC[NH2+]C4)CO3)CCN2C1=O ZINC001553304919 894561281 /nfs/dbraw/zinc/56/12/81/894561281.db2.gz PABKHVZTTVURHU-COMQUAJESA-N 3 1 294.399 -1.001 20 0 CAADMP [NH3+][C@@H]1C[C@@H]2CN(C[C@@H]3C[C@]4(CC[NH2+]C4)CO3)CCN2C1=O ZINC001553304919 894561295 /nfs/dbraw/zinc/56/12/95/894561295.db2.gz PABKHVZTTVURHU-COMQUAJESA-N 2 1 294.399 -1.001 20 0 CAADMP C[N@@H+]1CC[C@]2(C(=O)N3CC[NH2+]CC3)C[NH2+]C[C@@H]2C1 ZINC001553348693 894561316 /nfs/dbraw/zinc/56/13/16/894561316.db2.gz LNDBAAULEKXZHX-YPMHNXCESA-N 3 1 252.362 -1.041 20 0 CAADMP C[N@H+]1CC[C@]2(C(=O)N3CC[NH2+]CC3)C[NH2+]C[C@@H]2C1 ZINC001553348693 894561328 /nfs/dbraw/zinc/56/13/28/894561328.db2.gz LNDBAAULEKXZHX-YPMHNXCESA-N 3 1 252.362 -1.041 20 0 CAADMP CC(=O)NCCNC(=O)[C@]12C[NH2+]C[C@H]1C[N@@H+](C)CC2 ZINC001553368753 894561935 /nfs/dbraw/zinc/56/19/35/894561935.db2.gz MYIUMYFMQICERO-WCQYABFASA-N 2 1 268.361 -1.220 20 0 CAADMP C[N@@H+]1CC[C@@]2(C(=O)N3CC[NH2+]CC3)C[NH2+]C[C@H]2C1 ZINC001553348691 894561964 /nfs/dbraw/zinc/56/19/64/894561964.db2.gz LNDBAAULEKXZHX-WCQYABFASA-N 3 1 252.362 -1.041 20 0 CAADMP C[N@H+]1CC[C@@]2(C(=O)N3CC[NH2+]CC3)C[NH2+]C[C@H]2C1 ZINC001553348691 894561974 /nfs/dbraw/zinc/56/19/74/894561974.db2.gz LNDBAAULEKXZHX-WCQYABFASA-N 3 1 252.362 -1.041 20 0 CAADMP C[N@@H+]1C[C@@H](NC(=O)C2C[NH+](C3CCOCC3)C2)[C@@H](O)C1 ZINC001553649499 894566925 /nfs/dbraw/zinc/56/69/25/894566925.db2.gz ONPJLHWYIPQHRV-OLZOCXBDSA-N 2 1 283.372 -1.112 20 0 CAADMP C[N@H+]1C[C@H](O)[C@@H](NC(=O)C2C[NH+](C3CCOCC3)C2)C1 ZINC001553649504 894567157 /nfs/dbraw/zinc/56/71/57/894567157.db2.gz ONPJLHWYIPQHRV-STQMWFEESA-N 2 1 283.372 -1.112 20 0 CAADMP O=C(C[C@@H]1C[NH2+]CCO1)N1CC[NH+](CCO)CC1 ZINC000091299376 230163670 /nfs/dbraw/zinc/16/36/70/230163670.db2.gz BPEQYKOVVZNCSM-LLVKDONJSA-N 2 1 257.334 -1.499 20 0 CAADMP [NH3+]CC(=O)NCC(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000252433688 230217563 /nfs/dbraw/zinc/21/75/63/230217563.db2.gz RASZEDURKWUORI-VHSXEESVSA-N 2 1 254.334 -1.196 20 0 CAADMP C[C@@H]1C[N@@H+](CCC(=O)N2CC[NH2+]CC2)C[C@@H](C(N)=O)O1 ZINC000262036762 230223784 /nfs/dbraw/zinc/22/37/84/230223784.db2.gz HGYFLQXXWIGMOW-MNOVXSKESA-N 2 1 284.360 -1.617 20 0 CAADMP C[NH+](C)C[C@@H]1CN(C(=O)[C@@H]2COCC[NH2+]2)CCO1 ZINC000424181431 282125430 /nfs/dbraw/zinc/12/54/30/282125430.db2.gz RGCHGULVLJCSFZ-MNOVXSKESA-N 2 1 257.334 -1.236 20 0 CAADMP COCC[N@H+](C)CCNC(=O)C(=O)NCC(F)(F)C[NH3+] ZINC000419352736 230254985 /nfs/dbraw/zinc/25/49/85/230254985.db2.gz IUODTBNUWFEDNT-UHFFFAOYSA-N 2 1 296.318 -1.609 20 0 CAADMP COCC[N@@H+](C)CCNC(=O)C(=O)NCC(F)(F)C[NH3+] ZINC000419352736 230254988 /nfs/dbraw/zinc/25/49/88/230254988.db2.gz IUODTBNUWFEDNT-UHFFFAOYSA-N 2 1 296.318 -1.609 20 0 CAADMP COCC[N@@H+](C)CCNC(=O)C(=O)N1CC[NH2+][C@H](C)C1 ZINC000419366586 230255018 /nfs/dbraw/zinc/25/50/18/230255018.db2.gz ZLDCUDVQPWMWAY-LLVKDONJSA-N 2 1 286.376 -1.499 20 0 CAADMP C[C@H]1OCC[NH2+][C@@H]1C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000424193894 230282679 /nfs/dbraw/zinc/28/26/79/230282679.db2.gz RLJZROKFJBZORU-MXWKQRLJSA-N 2 1 257.334 -1.142 20 0 CAADMP [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)[C@H]2COCC[NH2+]2)C1 ZINC000429005650 230297290 /nfs/dbraw/zinc/29/72/90/230297290.db2.gz KCSPSEWCNKZJAY-GHMZBOCLSA-N 2 1 284.360 -1.712 20 0 CAADMP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)[C@@H]2C[NH2+]CCO2)C1 ZINC000430899123 230310114 /nfs/dbraw/zinc/31/01/14/230310114.db2.gz YVRPFAOUCOCZMS-NEPJUHHUSA-N 2 1 298.387 -1.322 20 0 CAADMP C[N@H+]1CC[C@H]2CCN(C(=O)C(=O)N3CC[NH2+]CC3)[C@@H]2C1 ZINC000423558002 529807574 /nfs/dbraw/zinc/80/75/74/529807574.db2.gz IVGXHFASTVPLOQ-NWDGAFQWSA-N 2 1 280.372 -1.029 20 0 CAADMP C[N@H+](CCC(=O)N1CC[NH+](C)CC1)[C@@H]1COC[C@H]1O ZINC000329184520 529870518 /nfs/dbraw/zinc/87/05/18/529870518.db2.gz PFXBFWBZLSGJBL-VXGBXAGGSA-N 2 1 271.361 -1.158 20 0 CAADMP C[N@@H+](CCC(=O)N1CC[NH+](C)CC1)[C@@H]1COC[C@H]1O ZINC000329184520 529870519 /nfs/dbraw/zinc/87/05/19/529870519.db2.gz PFXBFWBZLSGJBL-VXGBXAGGSA-N 2 1 271.361 -1.158 20 0 CAADMP C[NH2+]CC(=O)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000430793571 529956156 /nfs/dbraw/zinc/95/61/56/529956156.db2.gz MKYLNTKWZCQWIH-UHFFFAOYSA-N 2 1 256.350 -1.172 20 0 CAADMP C[NH2+]CC(=O)Nc1cnn(CC(=O)N2CC[NH+](C)CC2)c1 ZINC000430862381 529956728 /nfs/dbraw/zinc/95/67/28/529956728.db2.gz DOAKCUVDTKOGRJ-UHFFFAOYSA-N 2 1 294.359 -1.185 20 0 CAADMP C[NH+]1CCC(O)(CNC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000354734561 530050693 /nfs/dbraw/zinc/05/06/93/530050693.db2.gz OVJPQAXBJIXYNA-LLVKDONJSA-N 2 1 271.361 -1.110 20 0 CAADMP C[NH+]1CCC(O)(CNC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000354734561 530050694 /nfs/dbraw/zinc/05/06/94/530050694.db2.gz OVJPQAXBJIXYNA-LLVKDONJSA-N 2 1 271.361 -1.110 20 0 CAADMP C[NH+]1CCN(C(=O)CCNC(=O)[C@H]2CC[NH2+]C2)CC1 ZINC000178700765 530067563 /nfs/dbraw/zinc/06/75/63/530067563.db2.gz DALYRNAYUOFPTK-NSHDSACASA-N 2 1 268.361 -1.124 20 0 CAADMP C[NH+]1CCN(C(=O)CCNC(=O)[C@H]2CC[NH2+]2)CC1 ZINC000444173347 530067612 /nfs/dbraw/zinc/06/76/12/530067612.db2.gz CNXCMTPPCMLZGU-SNVBAGLBSA-N 2 1 254.334 -1.371 20 0 CAADMP C[NH+]1CCN(C(=O)CCNC(=O)[C@@]2(F)CC[NH2+]C2)CC1 ZINC000178700857 530067710 /nfs/dbraw/zinc/06/77/10/530067710.db2.gz WURHZNGIUSPCNL-CYBMUJFWSA-N 2 1 286.351 -1.032 20 0 CAADMP C[NH+]1CCN(C(=O)CNC(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000351558765 530068257 /nfs/dbraw/zinc/06/82/57/530068257.db2.gz SPILNYDTLPKFBG-SNVBAGLBSA-N 2 1 254.334 -1.371 20 0 CAADMP C[C@@H](C(=O)N[C@@H](CO)C[NH+](C)C)N1CC[NH+](C)CC1 ZINC000673520945 545595338 /nfs/dbraw/zinc/59/53/38/545595338.db2.gz MIJPWNYOUKXUCV-NWDGAFQWSA-N 2 1 272.393 -1.339 20 0 CAADMP C[C@H]1C[C@H](NC(=O)CNC(=O)C[NH3+])C[N@H+]1C1CC1 ZINC000347662770 291134634 /nfs/dbraw/zinc/13/46/34/291134634.db2.gz FCBXRIHLLVHBBR-IUCAKERBSA-N 2 1 254.334 -1.197 20 0 CAADMP C[C@@H](CNC(=O)[C@H]1C[C@H](O)C[NH2+]1)C[NH+]1CCOCC1 ZINC000432511393 295966987 /nfs/dbraw/zinc/96/69/87/295966987.db2.gz HJYRELJOYBNSAA-SDDRHHMPSA-N 2 1 271.361 -1.206 20 0 CAADMP C[NH+](C)CCC(=O)N1CC[C@H]([N@H+](C)CC(N)=O)C1 ZINC001192162290 781936680 /nfs/dbraw/zinc/93/66/80/781936680.db2.gz NWZUXQWQXPRAME-JTQLQIEISA-N 2 1 256.350 -1.044 20 0 CAADMP C[NH+](C)CCC(=O)N1CC[C@H]([N@@H+](C)CC(N)=O)C1 ZINC001192162290 781936687 /nfs/dbraw/zinc/93/66/87/781936687.db2.gz NWZUXQWQXPRAME-JTQLQIEISA-N 2 1 256.350 -1.044 20 0 CAADMP C[C@H]1OCC[NH2+][C@@H]1C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000261938444 291209957 /nfs/dbraw/zinc/20/99/57/291209957.db2.gz MOBZKKXAFWSFEK-UTUOFQBUSA-N 2 1 298.387 -1.323 20 0 CAADMP COCC[N@@H+](C)C[C@H](O)CN(C)[C@@H]1COC[C@H]1O ZINC000574337766 335012105 /nfs/dbraw/zinc/01/21/05/335012105.db2.gz WULOQNMUAJOYBY-QJPTWQEYSA-N 2 1 262.350 -1.383 20 0 CAADMP COCCN(C)C[C@H](O)C[N@H+](C)[C@@H]1COC[C@H]1O ZINC000574337766 335012107 /nfs/dbraw/zinc/01/21/07/335012107.db2.gz WULOQNMUAJOYBY-QJPTWQEYSA-N 2 1 262.350 -1.383 20 0 CAADMP COCCN(C)C[C@H](O)C[N@@H+](C)[C@@H]1COC[C@H]1O ZINC000574337766 335012108 /nfs/dbraw/zinc/01/21/08/335012108.db2.gz WULOQNMUAJOYBY-QJPTWQEYSA-N 2 1 262.350 -1.383 20 0 CAADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)NC1C[NH2+]C1 ZINC000642758443 372821815 /nfs/dbraw/zinc/82/18/15/372821815.db2.gz NHTCIDNDSMCFCC-LLVKDONJSA-N 2 1 284.360 -1.699 20 0 CAADMP C[C@@H]1C[C@@H](NC(=O)C(=O)NC2C[NH2+]C2)C[N@H+]1C1CC1 ZINC000642718076 372807852 /nfs/dbraw/zinc/80/78/52/372807852.db2.gz AQDQRJQRZLTVSS-RKDXNWHRSA-N 2 1 266.345 -1.184 20 0 CAADMP COCC[N@@H+](C)CCNC(=O)C(=O)N[C@@H](C)C[C@H](C)[NH3+] ZINC000584053732 372814638 /nfs/dbraw/zinc/81/46/38/372814638.db2.gz WGIBBGAPPAXSMM-QWRGUYRKSA-N 2 1 288.392 -1.077 20 0 CAADMP COCC[N@@H+](C)C[C@H](O)CN1CC[NH+](CCO)C[C@@H]1C ZINC000568181075 372839184 /nfs/dbraw/zinc/83/91/84/372839184.db2.gz JUZRRWPTCJCDKB-KBPBESRZSA-N 2 1 289.420 -1.076 20 0 CAADMP COCC[NH+](C)C[C@H](O)CN1CC[N@H+](CCO)C[C@@H]1C ZINC000568181075 372839190 /nfs/dbraw/zinc/83/91/90/372839190.db2.gz JUZRRWPTCJCDKB-KBPBESRZSA-N 2 1 289.420 -1.076 20 0 CAADMP COCC[NH+](C)C[C@H](O)CN1CC[N@@H+](CCO)C[C@@H]1C ZINC000568181075 372839199 /nfs/dbraw/zinc/83/91/99/372839199.db2.gz JUZRRWPTCJCDKB-KBPBESRZSA-N 2 1 289.420 -1.076 20 0 CAADMP O=C(NC1C[NH2+]C1)C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000642786002 372843436 /nfs/dbraw/zinc/84/34/36/372843436.db2.gz WMTKAKORMHBAHG-SNVBAGLBSA-N 2 1 266.345 -1.325 20 0 CAADMP CNC(=O)NC(=O)[C@@H](C)[N@H+](C)CCN1CC[NH2+]CC1 ZINC000071150742 372846215 /nfs/dbraw/zinc/84/62/15/372846215.db2.gz WYUVFPAITWIBRO-SNVBAGLBSA-N 2 1 271.365 -1.333 20 0 CAADMP CNC(=O)NC(=O)[C@@H](C)[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000071150742 372846224 /nfs/dbraw/zinc/84/62/24/372846224.db2.gz WYUVFPAITWIBRO-SNVBAGLBSA-N 2 1 271.365 -1.333 20 0 CAADMP CCNC(=O)NC(=O)C[N@H+](C)CCN1CC[NH2+]CC1 ZINC000071150421 372848067 /nfs/dbraw/zinc/84/80/67/372848067.db2.gz GHDKFDOXBBPYOR-UHFFFAOYSA-N 2 1 271.365 -1.331 20 0 CAADMP CCNC(=O)NC(=O)C[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000071150421 372848074 /nfs/dbraw/zinc/84/80/74/372848074.db2.gz GHDKFDOXBBPYOR-UHFFFAOYSA-N 2 1 271.365 -1.331 20 0 CAADMP COC[C@H](C)NC(=O)NC(=O)C[N@H+](C)CCOCC[NH3+] ZINC000600732691 372892002 /nfs/dbraw/zinc/89/20/02/372892002.db2.gz DCTURKCITCPZOD-JTQLQIEISA-N 2 1 290.364 -1.246 20 0 CAADMP COC[C@H](C)NC(=O)NC(=O)C[N@@H+](C)CCOCC[NH3+] ZINC000600732691 372892011 /nfs/dbraw/zinc/89/20/11/372892011.db2.gz DCTURKCITCPZOD-JTQLQIEISA-N 2 1 290.364 -1.246 20 0 CAADMP CCNC(=O)NC(=O)C[N@H+](C)CCOCC[NH2+]C ZINC000600731208 372892318 /nfs/dbraw/zinc/89/23/18/372892318.db2.gz PQVMXTNNVIPWCN-UHFFFAOYSA-N 2 1 260.338 -1.000 20 0 CAADMP CCNC(=O)NC(=O)C[N@@H+](C)CCOCC[NH2+]C ZINC000600731208 372892324 /nfs/dbraw/zinc/89/23/24/372892324.db2.gz PQVMXTNNVIPWCN-UHFFFAOYSA-N 2 1 260.338 -1.000 20 0 CAADMP CNC(=O)NC(=O)[C@H](C)[N@@H+](C)CCOCC[NH2+]C ZINC000600729175 372893183 /nfs/dbraw/zinc/89/31/83/372893183.db2.gz FETSDMMAKJFQAS-VIFPVBQESA-N 2 1 260.338 -1.002 20 0 CAADMP CCN(CC[NH3+])C(=O)C(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCO1 ZINC000627355963 372894483 /nfs/dbraw/zinc/89/44/83/372894483.db2.gz VAIDSVKSWUMJJT-WDEREUQCSA-N 2 1 286.376 -1.371 20 0 CAADMP CCN(CC[NH3+])C(=O)C(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC000627355963 372894491 /nfs/dbraw/zinc/89/44/91/372894491.db2.gz VAIDSVKSWUMJJT-WDEREUQCSA-N 2 1 286.376 -1.371 20 0 CAADMP CCN(CC[NH3+])C(=O)C(=O)N[C@H](C)[C@H]1C[N@H+](C)CCO1 ZINC000627355960 372895443 /nfs/dbraw/zinc/89/54/43/372895443.db2.gz VAIDSVKSWUMJJT-GHMZBOCLSA-N 2 1 286.376 -1.371 20 0 CAADMP CCN(CC[NH3+])C(=O)C(=O)N[C@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC000627355960 372895447 /nfs/dbraw/zinc/89/54/47/372895447.db2.gz VAIDSVKSWUMJJT-GHMZBOCLSA-N 2 1 286.376 -1.371 20 0 CAADMP O=C(CNC(=O)[C@H]1CCC[NH2+]1)N1CC[NH2+]C[C@H]1C(F)F ZINC000518537230 372887330 /nfs/dbraw/zinc/88/73/30/372887330.db2.gz ZVRDYSRITBKMMG-BDAKNGLRSA-N 2 1 290.314 -1.080 20 0 CAADMP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)N1CC[NH2+]C[C@@H]1C(F)F ZINC000518537235 372887437 /nfs/dbraw/zinc/88/74/37/372887437.db2.gz ZVRDYSRITBKMMG-DTWKUNHWSA-N 2 1 290.314 -1.080 20 0 CAADMP C[NH+]1CCN(C(=O)CC[N@@H+]2C[C@H](O)C[C@@H]2CO)CC1 ZINC000338282431 372905777 /nfs/dbraw/zinc/90/57/77/372905777.db2.gz HUZLCWAOZBDPIX-VXGBXAGGSA-N 2 1 271.361 -1.422 20 0 CAADMP C[NH+]1CCN(C(=O)CC[N@H+]2C[C@H](O)C[C@@H]2CO)CC1 ZINC000338282431 372905795 /nfs/dbraw/zinc/90/57/95/372905795.db2.gz HUZLCWAOZBDPIX-VXGBXAGGSA-N 2 1 271.361 -1.422 20 0 CAADMP [NH3+]CC(=O)NCC(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000037628373 372906812 /nfs/dbraw/zinc/90/68/12/372906812.db2.gz RASZEDURKWUORI-ZJUUUORDSA-N 2 1 254.334 -1.196 20 0 CAADMP CC[N@@H+]1CCO[C@@H](C(=O)N2CCO[C@@H](C[NH3+])C2)C1 ZINC000358511110 372909905 /nfs/dbraw/zinc/90/99/05/372909905.db2.gz CYAIOINFMAAAQX-WDEREUQCSA-N 2 1 257.334 -1.107 20 0 CAADMP CC[N@H+]1CCO[C@@H](C(=O)N2CCO[C@@H](C[NH3+])C2)C1 ZINC000358511110 372909910 /nfs/dbraw/zinc/90/99/10/372909910.db2.gz CYAIOINFMAAAQX-WDEREUQCSA-N 2 1 257.334 -1.107 20 0 CAADMP [NH3+]CC(=O)NCC(=O)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000037812791 372910146 /nfs/dbraw/zinc/91/01/46/372910146.db2.gz NRJQWJNHZQRGGG-JTQLQIEISA-N 2 1 254.334 -1.242 20 0 CAADMP CN(C)CC(=O)N1CCN([C@H]2CCN(C)C2=O)CC1 ZINC000116351107 372914894 /nfs/dbraw/zinc/91/48/94/372914894.db2.gz VNVPLVAQQREXCP-NSHDSACASA-N 2 1 268.361 -1.077 20 0 CAADMP CN1CCN(C(=O)CC[N@H+]2CCO[C@@H](CC(N)=O)C2)CC1 ZINC000626077650 372918405 /nfs/dbraw/zinc/91/84/05/372918405.db2.gz OBFWIMIUJGBTNJ-LBPRGKRZSA-N 2 1 298.387 -1.273 20 0 CAADMP O=C(NC1C[NH2+]C1)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000562825472 372953022 /nfs/dbraw/zinc/95/30/22/372953022.db2.gz NMEWHOIKTYZEDP-MNOVXSKESA-N 2 1 266.345 -1.183 20 0 CAADMP O=C(NC1C[NH2+]C1)C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000562825473 372951558 /nfs/dbraw/zinc/95/15/58/372951558.db2.gz NMEWHOIKTYZEDP-QWRGUYRKSA-N 2 1 266.345 -1.183 20 0 CAADMP C[NH+](C)[C@H]1CN(C(=O)[C@@H]2C[N@H+]3CCC[C@@H]3CO2)C[C@@H]1O ZINC000635948169 372977864 /nfs/dbraw/zinc/97/78/64/372977864.db2.gz JRLIIRRPHPMZCI-VOAKCMCISA-N 2 1 283.372 -1.017 20 0 CAADMP CO[C@@H](C[NH3+])CC(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000570926860 373004912 /nfs/dbraw/zinc/00/49/12/373004912.db2.gz MMPRDCGXXVPNIR-VXGBXAGGSA-N 2 1 298.387 -1.227 20 0 CAADMP [NH3+]CC(F)(F)CC(=O)NCCN1CC[NH2+]CC1 ZINC000575133421 372983802 /nfs/dbraw/zinc/98/38/02/372983802.db2.gz WMLQTJBFINTZDZ-UHFFFAOYSA-N 2 1 250.293 -1.008 20 0 CAADMP CNS(=O)(=O)[C@@H]1CCC[N@@H+](CCOCC[NH3+])C1 ZINC000569972257 372986397 /nfs/dbraw/zinc/98/63/97/372986397.db2.gz TZRAXMSOKVBPKS-SNVBAGLBSA-N 2 1 265.379 -1.025 20 0 CAADMP C[NH+]1CCN(C(=O)CC[NH+]2CC(C)(C(N)=O)C2)CC1 ZINC000563067971 373036683 /nfs/dbraw/zinc/03/66/83/373036683.db2.gz JLSLSNAUSUKCCI-UHFFFAOYSA-N 2 1 268.361 -1.042 20 0 CAADMP COC(=O)CCNC(=O)C[N@H+](C)CCN1CC[NH2+]CC1 ZINC000592472133 373074721 /nfs/dbraw/zinc/07/47/21/373074721.db2.gz OBGUODPWODZZES-UHFFFAOYSA-N 2 1 286.376 -1.497 20 0 CAADMP COC(=O)CCNC(=O)C[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000592472133 373074733 /nfs/dbraw/zinc/07/47/33/373074733.db2.gz OBGUODPWODZZES-UHFFFAOYSA-N 2 1 286.376 -1.497 20 0 CAADMP CNC(=O)NC(=O)CC[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000594875332 373104829 /nfs/dbraw/zinc/10/48/29/373104829.db2.gz AZIFHXSOYLVRSN-RKDXNWHRSA-N 2 1 283.332 -1.924 20 0 CAADMP CNC(=O)NC(=O)CC[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000594875332 373104835 /nfs/dbraw/zinc/10/48/35/373104835.db2.gz AZIFHXSOYLVRSN-RKDXNWHRSA-N 2 1 283.332 -1.924 20 0 CAADMP NC(=O)NC(=O)C[N@@H+]1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000592486183 373072500 /nfs/dbraw/zinc/07/25/00/373072500.db2.gz XWGPDDOANHKYLL-VIFPVBQESA-N 2 1 285.348 -1.499 20 0 CAADMP NC(=O)NC(=O)C[N@H+]1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000592486183 373072509 /nfs/dbraw/zinc/07/25/09/373072509.db2.gz XWGPDDOANHKYLL-VIFPVBQESA-N 2 1 285.348 -1.499 20 0 CAADMP COC(=O)C[C@H]([NH3+])C(=O)NC[C@@H]1C[N@H+]2CCN1CCC2 ZINC000595975743 373127166 /nfs/dbraw/zinc/12/71/66/373127166.db2.gz KISNJNVTEFBPGB-MNOVXSKESA-N 2 1 284.360 -1.617 20 0 CAADMP COCCCNC(=O)C[N@H+](C)CCN1CC[NH2+]CC1 ZINC000071150525 373218835 /nfs/dbraw/zinc/21/88/35/373218835.db2.gz WJRDXBCZBKRLTM-UHFFFAOYSA-N 2 1 272.393 -1.024 20 0 CAADMP COCCCNC(=O)C[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000071150525 373218846 /nfs/dbraw/zinc/21/88/46/373218846.db2.gz WJRDXBCZBKRLTM-UHFFFAOYSA-N 2 1 272.393 -1.024 20 0 CAADMP O=C(C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1)N1CCNC(=O)C1 ZINC000563150041 373223912 /nfs/dbraw/zinc/22/39/12/373223912.db2.gz UXZGLTGVRUZFKD-TXEJJXNPSA-N 2 1 280.372 -1.124 20 0 CAADMP CN(C)C(=O)C[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000063179690 373197508 /nfs/dbraw/zinc/19/75/08/373197508.db2.gz NDNHGQQSRMLZDU-JTQLQIEISA-N 2 1 256.350 -1.139 20 0 CAADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)O1 ZINC000602524569 373200705 /nfs/dbraw/zinc/20/07/05/373200705.db2.gz LUQALKULZSKRNM-NOOOWODRSA-N 2 1 296.371 -1.524 20 0 CAADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)O1 ZINC000602524569 373200713 /nfs/dbraw/zinc/20/07/13/373200713.db2.gz LUQALKULZSKRNM-NOOOWODRSA-N 2 1 296.371 -1.524 20 0 CAADMP C[NH+]1CCN(C(=O)CC[N@@H+]2CC[C@@H](NC(N)=O)C2)CC1 ZINC000338285856 373277106 /nfs/dbraw/zinc/27/71/06/373277106.db2.gz LPADJPZITNITSV-LLVKDONJSA-N 2 1 283.376 -1.107 20 0 CAADMP C[NH+]1CCN(C(=O)CC[N@H+]2CC[C@@H](NC(N)=O)C2)CC1 ZINC000338285856 373277123 /nfs/dbraw/zinc/27/71/23/373277123.db2.gz LPADJPZITNITSV-LLVKDONJSA-N 2 1 283.376 -1.107 20 0 CAADMP CCN1CCN(S(=O)(=O)C[C@@H]2CNCCO2)CC1 ZINC000310793207 373245884 /nfs/dbraw/zinc/24/58/84/373245884.db2.gz BHNODZOFYQNHKR-NSHDSACASA-N 2 1 277.390 -1.058 20 0 CAADMP CN(C)S(=O)(=O)CC[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000311669859 373298454 /nfs/dbraw/zinc/29/84/54/373298454.db2.gz LKELXGCYRRZHKD-GFCCVEGCSA-N 2 1 290.433 -1.143 20 0 CAADMP [NH3+][C@@H]1CCO[C@@H]1C(=O)NCCC[NH+]1CCOCC1 ZINC000638048277 373374614 /nfs/dbraw/zinc/37/46/14/373374614.db2.gz QEBHMFSZFYGDSD-MNOVXSKESA-N 2 1 257.334 -1.059 20 0 CAADMP C[C@H]1C[N@H+](C)C[C@@H](C(=O)NCC(=O)N2CC[NH2+]CC2)O1 ZINC000637813073 373350712 /nfs/dbraw/zinc/35/07/12/373350712.db2.gz JBEMWDNEYRVHSH-QWRGUYRKSA-N 2 1 284.360 -1.747 20 0 CAADMP C[C@H]1C[N@@H+](C)C[C@@H](C(=O)NCC(=O)N2CC[NH2+]CC2)O1 ZINC000637813073 373350722 /nfs/dbraw/zinc/35/07/22/373350722.db2.gz JBEMWDNEYRVHSH-QWRGUYRKSA-N 2 1 284.360 -1.747 20 0 CAADMP O=C(CNC(=O)[C@@H]1C[N@H+]2CCC[C@H]2CO1)N1CC[NH2+]CC1 ZINC000637812805 373351646 /nfs/dbraw/zinc/35/16/46/373351646.db2.gz CPBJWMDESDCRNI-RYUDHWBXSA-N 2 1 296.371 -1.602 20 0 CAADMP C[N@H+]1CC[C@H](CC(=O)NCC(=O)N2CC[NH2+]CC2)C1 ZINC000637813127 373352187 /nfs/dbraw/zinc/35/21/87/373352187.db2.gz KHXBJDPQVZJMDW-LLVKDONJSA-N 2 1 268.361 -1.124 20 0 CAADMP O=C(CNC(=O)[C@H]1C[N@H+]2CCC[C@@H]2CO1)N1CC[NH2+]CC1 ZINC000637812806 373352390 /nfs/dbraw/zinc/35/23/90/373352390.db2.gz CPBJWMDESDCRNI-VXGBXAGGSA-N 2 1 296.371 -1.602 20 0 CAADMP [NH3+][C@@H]1CCO[C@@H]1C(=O)NC[C@H]1C[N@H+]2CCN1CCC2 ZINC000638424299 373423029 /nfs/dbraw/zinc/42/30/29/373423029.db2.gz HANOLAGSHDCFSD-TUAOUCFPSA-N 2 1 268.361 -1.391 20 0 CAADMP C[C@@]1(C(=O)NC[C@H]2C[N@H+]3CCN2CCC3)C[NH2+]CCO1 ZINC000638427957 373423343 /nfs/dbraw/zinc/42/33/43/373423343.db2.gz XXETUGAAZCJNQV-JSGCOSHPSA-N 2 1 282.388 -1.129 20 0 CAADMP NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)CN1CC[NH2+]CC1 ZINC000638496792 373427669 /nfs/dbraw/zinc/42/76/69/373427669.db2.gz VRLWMQMNIKMSDH-LBPRGKRZSA-N 2 1 297.403 -1.652 20 0 CAADMP C[C@@H](CNC(=O)CN1CC[NH2+]CC1)C[NH+]1CCOCC1 ZINC000638091036 373382095 /nfs/dbraw/zinc/38/20/95/373382095.db2.gz OFHRLCYHAZXTCK-ZDUSSCGKSA-N 2 1 284.404 -1.024 20 0 CAADMP COCC[N@H+]1CC[C@@H](NC(=O)CN2CC[NH2+]CC2)C1 ZINC000638101412 373383739 /nfs/dbraw/zinc/38/37/39/373383739.db2.gz PNYFKYKLPZKMQB-GFCCVEGCSA-N 2 1 270.377 -1.272 20 0 CAADMP COCC[N@H+]1CC[C@H](NC(=O)CN2CC[NH2+]CC2)C1 ZINC000638101413 373384652 /nfs/dbraw/zinc/38/46/52/373384652.db2.gz PNYFKYKLPZKMQB-LBPRGKRZSA-N 2 1 270.377 -1.272 20 0 CAADMP COCC[N@H+]1CC[C@H](NC(=O)[C@@H]2OCC[C@@H]2[NH3+])C1 ZINC000638101391 373385256 /nfs/dbraw/zinc/38/52/56/373385256.db2.gz PLAMMXMQXBATFP-GARJFASQSA-N 2 1 257.334 -1.061 20 0 CAADMP COCCC[N@@H+](C)CCNC(=O)CN1CC[NH2+]CC1 ZINC000638121001 373387849 /nfs/dbraw/zinc/38/78/49/373387849.db2.gz BQPHEQFRIDLNAQ-UHFFFAOYSA-N 2 1 272.393 -1.024 20 0 CAADMP C[C@H](CNC(=O)CN1CC[NH2+]CC1)CN1CC[NH+](C)CC1 ZINC000638137196 373388607 /nfs/dbraw/zinc/38/86/07/373388607.db2.gz GUJCEAYCQKUCGB-CQSZACIVSA-N 2 1 297.447 -1.109 20 0 CAADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)[C@@]1(C)C[NH2+]CCO1 ZINC000638139564 373391161 /nfs/dbraw/zinc/39/11/61/373391161.db2.gz MCJYRUCHTFLNQW-WCQYABFASA-N 2 1 270.377 -1.273 20 0 CAADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)[C@]1(C)C[NH2+]CCO1 ZINC000638139565 373391278 /nfs/dbraw/zinc/39/12/78/373391278.db2.gz MCJYRUCHTFLNQW-YPMHNXCESA-N 2 1 270.377 -1.273 20 0 CAADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)[C@@]1(C)C[NH2+]CCO1 ZINC000638139562 373392913 /nfs/dbraw/zinc/39/29/13/373392913.db2.gz MCJYRUCHTFLNQW-DGCLKSJQSA-N 2 1 270.377 -1.273 20 0 CAADMP C[NH+](CCOCC[N@H+](C)[C@H]1CCNC1=O)[C@H]1CCNC1=O ZINC000340225440 373400583 /nfs/dbraw/zinc/40/05/83/373400583.db2.gz JCXARJBMNLYAPU-RYUDHWBXSA-N 2 1 298.387 -1.356 20 0 CAADMP CN1CCOC[C@H]1CNC(=O)[C@@]1(C)CNCCO1 ZINC000638609203 373443139 /nfs/dbraw/zinc/44/31/39/373443139.db2.gz FMEIVJRFUAVJMK-ZYHUDNBSSA-N 2 1 257.334 -1.188 20 0 CAADMP CN1CCOC[C@@H]1CNC(=O)C[C@@H]1COCCN1 ZINC000638609176 373443444 /nfs/dbraw/zinc/44/34/44/373443444.db2.gz FHHPECCDFCPDKX-MNOVXSKESA-N 2 1 257.334 -1.188 20 0 CAADMP CC[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2COCC[NH2+]2)C1 ZINC000638616015 373445033 /nfs/dbraw/zinc/44/50/33/373445033.db2.gz LFRWVVFLTDINEZ-MNOVXSKESA-N 2 1 257.334 -1.188 20 0 CAADMP CC[N@H+]1CCO[C@H](C(=O)NC[C@@H]2COCC[NH2+]2)C1 ZINC000638616015 373445044 /nfs/dbraw/zinc/44/50/44/373445044.db2.gz LFRWVVFLTDINEZ-MNOVXSKESA-N 2 1 257.334 -1.188 20 0 CAADMP O=C(NC[C@@H]1COCC[NH2+]1)[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000638612878 373445500 /nfs/dbraw/zinc/44/55/00/373445500.db2.gz SVTRFMYXGVDNSH-WOPDTQHZSA-N 2 1 269.345 -1.046 20 0 CAADMP O=C(NC[C@@H]1COCC[NH2+]1)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000638612876 373446394 /nfs/dbraw/zinc/44/63/94/373446394.db2.gz SVTRFMYXGVDNSH-IJLUTSLNSA-N 2 1 269.345 -1.046 20 0 CAADMP CN(C)S(=O)(=O)CC[N@H+](C)CCOCC[NH3+] ZINC000393810558 373496786 /nfs/dbraw/zinc/49/67/86/373496786.db2.gz FGGDBNKGHHOOLK-UHFFFAOYSA-N 2 1 253.368 -1.215 20 0 CAADMP CN(C)S(=O)(=O)CC[N@@H+](C)CCOCC[NH3+] ZINC000393810558 373496797 /nfs/dbraw/zinc/49/67/97/373496797.db2.gz FGGDBNKGHHOOLK-UHFFFAOYSA-N 2 1 253.368 -1.215 20 0 CAADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)[C@H]1C[NH+]2CCN1CCC2 ZINC000343620983 373509154 /nfs/dbraw/zinc/50/91/54/373509154.db2.gz JAYLGWMIUIKQGY-UONOGXRCSA-N 2 1 295.431 -1.262 20 0 CAADMP CN1CC[NH+](C)C[C@@H]1CNC(=O)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000343620983 373509167 /nfs/dbraw/zinc/50/91/67/373509167.db2.gz JAYLGWMIUIKQGY-UONOGXRCSA-N 2 1 295.431 -1.262 20 0 CAADMP CN1CC[NH+](C)C[C@@H]1CNC(=O)[C@H]1C[N@H+]2CCN1CCC2 ZINC000343620983 373509180 /nfs/dbraw/zinc/50/91/80/373509180.db2.gz JAYLGWMIUIKQGY-UONOGXRCSA-N 2 1 295.431 -1.262 20 0 CAADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)[C@@H]1C[NH+]2CCN1CCC2 ZINC000343620979 373509583 /nfs/dbraw/zinc/50/95/83/373509583.db2.gz JAYLGWMIUIKQGY-KBPBESRZSA-N 2 1 295.431 -1.262 20 0 CAADMP CN1CC[NH+](C)C[C@@H]1CNC(=O)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000343620979 373509590 /nfs/dbraw/zinc/50/95/90/373509590.db2.gz JAYLGWMIUIKQGY-KBPBESRZSA-N 2 1 295.431 -1.262 20 0 CAADMP CN1CC[NH+](C)C[C@@H]1CNC(=O)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000343620979 373509598 /nfs/dbraw/zinc/50/95/98/373509598.db2.gz JAYLGWMIUIKQGY-KBPBESRZSA-N 2 1 295.431 -1.262 20 0 CAADMP O=C([C@@H]1COCC[NH2+]1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000343629922 373513055 /nfs/dbraw/zinc/51/30/55/373513055.db2.gz SHWHGLAFKBLSDI-NEPJUHHUSA-N 2 1 268.361 -1.519 20 0 CAADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)[C@H]1C[NH+]2CCN1CCC2 ZINC000343620985 373513689 /nfs/dbraw/zinc/51/36/89/373513689.db2.gz JAYLGWMIUIKQGY-ZIAGYGMSSA-N 2 1 295.431 -1.262 20 0 CAADMP CN1CC[NH+](C)C[C@H]1CNC(=O)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000343620985 373513696 /nfs/dbraw/zinc/51/36/96/373513696.db2.gz JAYLGWMIUIKQGY-ZIAGYGMSSA-N 2 1 295.431 -1.262 20 0 CAADMP CN1CC[NH+](C)C[C@H]1CNC(=O)[C@H]1C[N@H+]2CCN1CCC2 ZINC000343620985 373513705 /nfs/dbraw/zinc/51/37/05/373513705.db2.gz JAYLGWMIUIKQGY-ZIAGYGMSSA-N 2 1 295.431 -1.262 20 0 CAADMP C[C@@H]1OCC[NH2+][C@H]1C(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000344468689 373522438 /nfs/dbraw/zinc/52/24/38/373522438.db2.gz IBBQBXBWQPOXGJ-SDDRHHMPSA-N 2 1 298.387 -1.181 20 0 CAADMP C[C@@H]1OCC[NH2+][C@H]1C(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O ZINC000344468689 373522447 /nfs/dbraw/zinc/52/24/47/373522447.db2.gz IBBQBXBWQPOXGJ-SDDRHHMPSA-N 2 1 298.387 -1.181 20 0 CAADMP C[C@@H]1OCC[NH2+][C@@H]1C(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000344468690 373522545 /nfs/dbraw/zinc/52/25/45/373522545.db2.gz IBBQBXBWQPOXGJ-SRVKXCTJSA-N 2 1 298.387 -1.181 20 0 CAADMP C[C@@H]1OCC[NH2+][C@@H]1C(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O ZINC000344468690 373522554 /nfs/dbraw/zinc/52/25/54/373522554.db2.gz IBBQBXBWQPOXGJ-SRVKXCTJSA-N 2 1 298.387 -1.181 20 0 CAADMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)CNC(=O)C[NH3+] ZINC000125205366 373488001 /nfs/dbraw/zinc/48/80/01/373488001.db2.gz PPBOJBRUTPWHIN-JTQLQIEISA-N 2 1 256.350 -1.139 20 0 CAADMP COC(=O)CNC(=O)CC[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000609536213 373489885 /nfs/dbraw/zinc/48/98/85/373489885.db2.gz IQVWPVPKNOVVLY-AOOOYVTPSA-N 2 1 255.318 -1.183 20 0 CAADMP C[NH+]1CCC(O)(CNC(=O)[C@H]2C[N@H+]3CCN2CCC3)CC1 ZINC000535724218 373558007 /nfs/dbraw/zinc/55/80/07/373558007.db2.gz DODVVCVJBBNWSB-CYBMUJFWSA-N 2 1 296.415 -1.051 20 0 CAADMP [NH3+][C@@H]1CC[C@H]2C[N@H+](CC(=O)N3CCNC(=O)C3)C[C@@H]12 ZINC000351482364 373572311 /nfs/dbraw/zinc/57/23/11/373572311.db2.gz ZHKDBWHSSXOSNG-HBNTYKKESA-N 2 1 266.345 -1.386 20 0 CAADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](CC(=O)N3CCNC(=O)C3)C[C@@H]12 ZINC000351482364 373572316 /nfs/dbraw/zinc/57/23/16/373572316.db2.gz ZHKDBWHSSXOSNG-HBNTYKKESA-N 2 1 266.345 -1.386 20 0 CAADMP C[NH+]1CCN(C(=O)CNC(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000351558764 373576656 /nfs/dbraw/zinc/57/66/56/373576656.db2.gz SPILNYDTLPKFBG-JTQLQIEISA-N 2 1 254.334 -1.371 20 0 CAADMP COCC[N@H+]1CC[C@@H](NC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000351559400 373578014 /nfs/dbraw/zinc/57/80/14/373578014.db2.gz JBXUDYBDDDCVIM-NEPJUHHUSA-N 2 1 298.387 -1.309 20 0 CAADMP COCC[N@H+]1CC[C@@H](NC(=O)CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000351559403 373578136 /nfs/dbraw/zinc/57/81/36/373578136.db2.gz JBXUDYBDDDCVIM-VXGBXAGGSA-N 2 1 298.387 -1.309 20 0 CAADMP COCC[N@H+](C)C[C@H](O)CN1CC[NH+](C)C[C@H]1CO ZINC000639866570 373622180 /nfs/dbraw/zinc/62/21/80/373622180.db2.gz GFFBTBBFTJZXJY-STQMWFEESA-N 2 1 275.393 -1.466 20 0 CAADMP COCC[N@@H+](C)C[C@H](O)CN1CC[NH+](C)C[C@H]1CO ZINC000639866570 373622187 /nfs/dbraw/zinc/62/21/87/373622187.db2.gz GFFBTBBFTJZXJY-STQMWFEESA-N 2 1 275.393 -1.466 20 0 CAADMP COCC[NH+](C)C[C@H](O)CN1CC[N@H+](C)C[C@H]1CO ZINC000639866570 373622193 /nfs/dbraw/zinc/62/21/93/373622193.db2.gz GFFBTBBFTJZXJY-STQMWFEESA-N 2 1 275.393 -1.466 20 0 CAADMP COCC[NH+](C)C[C@H](O)CN1CC[N@@H+](C)C[C@H]1CO ZINC000639866570 373622201 /nfs/dbraw/zinc/62/22/01/373622201.db2.gz GFFBTBBFTJZXJY-STQMWFEESA-N 2 1 275.393 -1.466 20 0 CAADMP COCC[N@H+](C)C[C@@H](O)CN1CC[NH+](C)C[C@@H]1CO ZINC000639866565 373622876 /nfs/dbraw/zinc/62/28/76/373622876.db2.gz GFFBTBBFTJZXJY-CHWSQXEVSA-N 2 1 275.393 -1.466 20 0 CAADMP COCC[N@@H+](C)C[C@@H](O)CN1CC[NH+](C)C[C@@H]1CO ZINC000639866565 373622881 /nfs/dbraw/zinc/62/28/81/373622881.db2.gz GFFBTBBFTJZXJY-CHWSQXEVSA-N 2 1 275.393 -1.466 20 0 CAADMP COCC[NH+](C)C[C@@H](O)CN1CC[N@H+](C)C[C@@H]1CO ZINC000639866565 373622887 /nfs/dbraw/zinc/62/28/87/373622887.db2.gz GFFBTBBFTJZXJY-CHWSQXEVSA-N 2 1 275.393 -1.466 20 0 CAADMP COCC[NH+](C)C[C@@H](O)CN1CC[N@@H+](C)C[C@@H]1CO ZINC000639866565 373622890 /nfs/dbraw/zinc/62/28/90/373622890.db2.gz GFFBTBBFTJZXJY-CHWSQXEVSA-N 2 1 275.393 -1.466 20 0 CAADMP COCC[N@H+](C)C[C@@H](O)CN1CC[NH+](C)C[C@H]1CO ZINC000639866569 373623755 /nfs/dbraw/zinc/62/37/55/373623755.db2.gz GFFBTBBFTJZXJY-QWHCGFSZSA-N 2 1 275.393 -1.466 20 0 CAADMP COCC[N@@H+](C)C[C@@H](O)CN1CC[NH+](C)C[C@H]1CO ZINC000639866569 373623759 /nfs/dbraw/zinc/62/37/59/373623759.db2.gz GFFBTBBFTJZXJY-QWHCGFSZSA-N 2 1 275.393 -1.466 20 0 CAADMP COCC[NH+](C)C[C@@H](O)CN1CC[N@H+](C)C[C@H]1CO ZINC000639866569 373623766 /nfs/dbraw/zinc/62/37/66/373623766.db2.gz GFFBTBBFTJZXJY-QWHCGFSZSA-N 2 1 275.393 -1.466 20 0 CAADMP COCC[NH+](C)C[C@@H](O)CN1CC[N@@H+](C)C[C@H]1CO ZINC000639866569 373623773 /nfs/dbraw/zinc/62/37/73/373623773.db2.gz GFFBTBBFTJZXJY-QWHCGFSZSA-N 2 1 275.393 -1.466 20 0 CAADMP COCC[N@H+](C)C[C@H](O)CN1CC[NH+](C)C[C@@H]1CO ZINC000639866568 373623870 /nfs/dbraw/zinc/62/38/70/373623870.db2.gz GFFBTBBFTJZXJY-OLZOCXBDSA-N 2 1 275.393 -1.466 20 0 CAADMP COCC[N@@H+](C)C[C@H](O)CN1CC[NH+](C)C[C@@H]1CO ZINC000639866568 373623873 /nfs/dbraw/zinc/62/38/73/373623873.db2.gz GFFBTBBFTJZXJY-OLZOCXBDSA-N 2 1 275.393 -1.466 20 0 CAADMP COCC[NH+](C)C[C@H](O)CN1CC[N@H+](C)C[C@@H]1CO ZINC000639866568 373623877 /nfs/dbraw/zinc/62/38/77/373623877.db2.gz GFFBTBBFTJZXJY-OLZOCXBDSA-N 2 1 275.393 -1.466 20 0 CAADMP COCC[NH+](C)C[C@H](O)CN1CC[N@@H+](C)C[C@@H]1CO ZINC000639866568 373623881 /nfs/dbraw/zinc/62/38/81/373623881.db2.gz GFFBTBBFTJZXJY-OLZOCXBDSA-N 2 1 275.393 -1.466 20 0 CAADMP COCC[NH+]1CCN(C(=O)NCCN2CC[NH2+]CC2)CC1 ZINC000583742627 373639928 /nfs/dbraw/zinc/63/99/28/373639928.db2.gz MDELPRVEAGARAV-UHFFFAOYSA-N 2 1 299.419 -1.135 20 0 CAADMP NC(=O)[C@H]1CCC[N@H+]1CCCNC(=O)N[C@H]1CC[NH2+]C1 ZINC000584541556 373644848 /nfs/dbraw/zinc/64/48/48/373644848.db2.gz NSLQSXDYULWLQT-WDEREUQCSA-N 2 1 283.376 -1.013 20 0 CAADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)NC1C[NH2+]C1 ZINC000584711926 373649690 /nfs/dbraw/zinc/64/96/90/373649690.db2.gz MMUNLVUNUZHXQY-SECBINFHSA-N 2 1 256.350 -1.079 20 0 CAADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)[C@@H](N)CC(N)=O)C1 ZINC000353083044 373600755 /nfs/dbraw/zinc/60/07/55/373600755.db2.gz CYYCIEXIHMCUSV-QWRGUYRKSA-N 2 1 286.376 -1.338 20 0 CAADMP C[N@H+](CCCO)C1CCN(c2nc(N)nc(N)[nH+]2)CC1 ZINC000623975075 373611142 /nfs/dbraw/zinc/61/11/42/373611142.db2.gz YFDYKQWPALIXCW-UHFFFAOYSA-N 2 1 281.364 -1.020 20 0 CAADMP C[N@@H+](CCCO)C1CCN(c2nc(N)nc(N)[nH+]2)CC1 ZINC000623975075 373611151 /nfs/dbraw/zinc/61/11/51/373611151.db2.gz YFDYKQWPALIXCW-UHFFFAOYSA-N 2 1 281.364 -1.020 20 0 CAADMP C[NH+]1CCN(C(=O)CC[N@@H+]2C[C@H](O)C[C@@]2(C)CO)CC1 ZINC000639851071 373614599 /nfs/dbraw/zinc/61/45/99/373614599.db2.gz YWONMJULOPOSJG-OCCSQVGLSA-N 2 1 285.388 -1.032 20 0 CAADMP C[NH+]1CCN(C(=O)CC[N@H+]2C[C@H](O)C[C@@]2(C)CO)CC1 ZINC000639851071 373614605 /nfs/dbraw/zinc/61/46/05/373614605.db2.gz YWONMJULOPOSJG-OCCSQVGLSA-N 2 1 285.388 -1.032 20 0 CAADMP COCC[N@H+]1CCC[C@H]1CNc1nc(N)[nH+]c(N)n1 ZINC000623934331 373619675 /nfs/dbraw/zinc/61/96/75/373619675.db2.gz NCZUHUQVQKCHON-QMMMGPOBSA-N 2 1 267.337 -1.359 20 0 CAADMP COCC[N@H+]1CCC[C@@H]1CNc1nc(N)[nH+]c(N)n1 ZINC000623934330 373621008 /nfs/dbraw/zinc/62/10/08/373621008.db2.gz NCZUHUQVQKCHON-MRVPVSSYSA-N 2 1 267.337 -1.359 20 0 CAADMP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)N[C@@H]2CC[NH2+][C@H]2C)C1 ZINC000627386772 373668826 /nfs/dbraw/zinc/66/88/26/373668826.db2.gz XDUAOWJFMDNELR-QJPTWQEYSA-N 2 1 298.387 -1.310 20 0 CAADMP COCC[N@H+]1CC[C@H](NC(=O)C(=O)N[C@@H]2CC[NH2+][C@H]2C)C1 ZINC000627386773 373668905 /nfs/dbraw/zinc/66/89/05/373668905.db2.gz XDUAOWJFMDNELR-SDDRHHMPSA-N 2 1 298.387 -1.310 20 0 CAADMP CC(C)C[NH+]1CCN(C(=O)C(=O)NCC[NH3+])CC1 ZINC000055085552 373668948 /nfs/dbraw/zinc/66/89/48/373668948.db2.gz WVPSVTBCSFGMJY-UHFFFAOYSA-N 2 1 256.350 -1.139 20 0 CAADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)N(CC[NH3+])CCO ZINC000419521825 373671923 /nfs/dbraw/zinc/67/19/23/373671923.db2.gz KVLNEJGOEGGLTO-LLVKDONJSA-N 2 1 288.392 -1.388 20 0 CAADMP C[NH+]1CCN(C(=O)CCN(CC[NH3+])CCO)CC1 ZINC000571762962 373676904 /nfs/dbraw/zinc/67/69/04/373676904.db2.gz ZAWDMJZYZYCZDL-UHFFFAOYSA-N 2 1 258.366 -1.597 20 0 CAADMP C[NH2+]C[C@H](O)CNC[C@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000572880702 373678263 /nfs/dbraw/zinc/67/82/63/373678263.db2.gz KCFZUUFBRWASNG-RNJOBUHISA-N 2 1 275.393 -1.374 20 0 CAADMP C[C@@H]1CC[N@@H+](C)CCN1C(=O)C(=O)N1CC[NH2+]CC1 ZINC000423250102 373691355 /nfs/dbraw/zinc/69/13/55/373691355.db2.gz UPRKSRXXPNZLAH-LLVKDONJSA-N 2 1 268.361 -1.029 20 0 CAADMP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)NC1C[NH2+]C1 ZINC000515224412 373722841 /nfs/dbraw/zinc/72/28/41/373722841.db2.gz HEWSYOVXEYTCSO-NSHDSACASA-N 2 1 268.361 -1.127 20 0 CAADMP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)NC1C[NH2+]C1 ZINC000515224412 373722852 /nfs/dbraw/zinc/72/28/52/373722852.db2.gz HEWSYOVXEYTCSO-NSHDSACASA-N 2 1 268.361 -1.127 20 0 CAADMP CC[N@@H+]1CCO[C@H](C(=O)NCC[NH+]2CC[C@@H](O)C2)C1 ZINC000629172291 373758759 /nfs/dbraw/zinc/75/87/59/373758759.db2.gz CLZPPKYYAVEWRX-NEPJUHHUSA-N 2 1 271.361 -1.110 20 0 CAADMP CC[N@H+]1CCO[C@H](C(=O)NCC[NH+]2CC[C@@H](O)C2)C1 ZINC000629172291 373758768 /nfs/dbraw/zinc/75/87/68/373758768.db2.gz CLZPPKYYAVEWRX-NEPJUHHUSA-N 2 1 271.361 -1.110 20 0 CAADMP CC[NH+]1CCO[C@H](C(=O)NCC[N@@H+]2CC[C@@H](O)C2)C1 ZINC000629172291 373758778 /nfs/dbraw/zinc/75/87/78/373758778.db2.gz CLZPPKYYAVEWRX-NEPJUHHUSA-N 2 1 271.361 -1.110 20 0 CAADMP CC[NH+]1CCO[C@H](C(=O)NCC[N@H+]2CC[C@@H](O)C2)C1 ZINC000629172291 373758789 /nfs/dbraw/zinc/75/87/89/373758789.db2.gz CLZPPKYYAVEWRX-NEPJUHHUSA-N 2 1 271.361 -1.110 20 0 CAADMP CN(C(=O)[C@H]([NH3+])CC(N)=O)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000438882086 373763397 /nfs/dbraw/zinc/76/33/97/373763397.db2.gz HZPBLUJRACKWIS-VHSXEESVSA-N 2 1 254.334 -1.116 20 0 CAADMP CN(C(=O)[C@H]([NH3+])CC(N)=O)[C@H]1CC[N@H+](C2CC2)C1 ZINC000438882086 373763401 /nfs/dbraw/zinc/76/34/01/373763401.db2.gz HZPBLUJRACKWIS-VHSXEESVSA-N 2 1 254.334 -1.116 20 0 CAADMP C[C@@H]1CC[N@@H+](CCNC(=O)CN2CCNCC2=O)C1 ZINC000572486811 373765027 /nfs/dbraw/zinc/76/50/27/373765027.db2.gz KXQCTJQWOYQIJT-LLVKDONJSA-N 2 1 268.361 -1.124 20 0 CAADMP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]CC(=O)N1CCNC(=O)C1 ZINC000641808590 373813961 /nfs/dbraw/zinc/81/39/61/373813961.db2.gz YYMUVLPRXFPFFO-RKDXNWHRSA-N 2 1 254.334 -1.340 20 0 CAADMP C[N@@H+]1CCN(C(=O)C(=O)N2CCO[C@H](C[NH3+])C2)CC1(C)C ZINC000641825358 373814671 /nfs/dbraw/zinc/81/46/71/373814671.db2.gz SJIVQWHVUKSPRL-LLVKDONJSA-N 2 1 298.387 -1.275 20 0 CAADMP C[N@H+]1CCN(C(=O)C(=O)N2CCO[C@H](C[NH3+])C2)CC1(C)C ZINC000641825358 373814681 /nfs/dbraw/zinc/81/46/81/373814681.db2.gz SJIVQWHVUKSPRL-LLVKDONJSA-N 2 1 298.387 -1.275 20 0 CAADMP CC1(C)[C@@H]([NH3+])C[C@@H]1[NH2+]CC(=O)N1CCNC(=O)C1 ZINC000641808589 373815059 /nfs/dbraw/zinc/81/50/59/373815059.db2.gz YYMUVLPRXFPFFO-IUCAKERBSA-N 2 1 254.334 -1.340 20 0 CAADMP C[NH2+]CCOCC[N@@H+](C)CCCS(N)(=O)=O ZINC000641824650 373815091 /nfs/dbraw/zinc/81/50/91/373815091.db2.gz WIAHBWMNQUKFCM-UHFFFAOYSA-N 2 1 253.368 -1.167 20 0 CAADMP O=C(NCC[N@@H+]1CC[C@H](O)C1)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000627094732 373839336 /nfs/dbraw/zinc/83/93/36/373839336.db2.gz KHRAOCAHWWIDCF-UKKRHICBSA-N 2 1 254.334 -1.430 20 0 CAADMP C[C@@H]1CN(S(=O)(=O)C[C@H]2C[NH2+]CCO2)C[C@H](C)[NH2+]1 ZINC000631904519 373820963 /nfs/dbraw/zinc/82/09/63/373820963.db2.gz PYCUPKHFLSQMRE-OUAUKWLOSA-N 2 1 277.390 -1.013 20 0 CAADMP C[NH+](C)C1(CS(=O)(=O)NCCN2CC[NH2+]CC2)CC1 ZINC000631901440 373821168 /nfs/dbraw/zinc/82/11/68/373821168.db2.gz CKJXOSQVRAODFA-UHFFFAOYSA-N 2 1 290.433 -1.095 20 0 CAADMP COCC[N@@H+](C)CCNC(=O)NC[C@@H]1COCC[NH2+]1 ZINC000626965358 373827778 /nfs/dbraw/zinc/82/77/78/373827778.db2.gz AYZQLLBJYBRJDG-LLVKDONJSA-N 2 1 274.365 -1.148 20 0 CAADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)NCCOCCC[NH3+] ZINC000626974682 373828606 /nfs/dbraw/zinc/82/86/06/373828606.db2.gz KEEVRFYGDARDCS-LBPRGKRZSA-N 2 1 287.408 -1.103 20 0 CAADMP C[C@H](NC(=O)NC[C@H]1COCCN1)[C@@H]1CN(C)CCO1 ZINC000627003681 373830846 /nfs/dbraw/zinc/83/08/46/373830846.db2.gz TYMZPZNVUJGFML-SRVKXCTJSA-N 2 1 286.376 -1.007 20 0 CAADMP O=C(NCC[N@H+]1CCCOCC1)NC[C@@H]1COCC[NH2+]1 ZINC000627044210 373834545 /nfs/dbraw/zinc/83/45/45/373834545.db2.gz CKPBAHGSHQLNRX-GFCCVEGCSA-N 2 1 286.376 -1.004 20 0 CAADMP C[NH2+]CCOCC[N@H+](C)CC(=O)N[C@@H](C)C(=O)N(C)C ZINC000629570882 373777420 /nfs/dbraw/zinc/77/74/20/373777420.db2.gz GXCCVCZNESYGIJ-NSHDSACASA-N 2 1 288.392 -1.253 20 0 CAADMP C[NH2+]CCOCC[N@@H+](C)CC(=O)N[C@@H](C)C(=O)N(C)C ZINC000629570882 373777424 /nfs/dbraw/zinc/77/74/24/373777424.db2.gz GXCCVCZNESYGIJ-NSHDSACASA-N 2 1 288.392 -1.253 20 0 CAADMP C[C@H](NC(=O)C[N@H+](C)CCOCC[NH3+])C(=O)N(C)C ZINC000629579947 373778567 /nfs/dbraw/zinc/77/85/67/373778567.db2.gz YXLYLXRSGXFLNK-JTQLQIEISA-N 2 1 274.365 -1.514 20 0 CAADMP C[C@H](NC(=O)C[N@@H+](C)CCOCC[NH3+])C(=O)N(C)C ZINC000629579947 373778572 /nfs/dbraw/zinc/77/85/72/373778572.db2.gz YXLYLXRSGXFLNK-JTQLQIEISA-N 2 1 274.365 -1.514 20 0 CAADMP C[N@@H+](CCOCC[NH3+])CCC(=O)N1CC[NH2+]CC1 ZINC000629577437 373778653 /nfs/dbraw/zinc/77/86/53/373778653.db2.gz HZQPRJDRSINDMU-UHFFFAOYSA-N 3 1 258.366 -1.285 20 0 CAADMP C[N@H+](CCOCC[NH3+])CCC(=O)N1CCNCC1 ZINC000629577437 373778659 /nfs/dbraw/zinc/77/86/59/373778659.db2.gz HZQPRJDRSINDMU-UHFFFAOYSA-N 2 1 258.366 -1.285 20 0 CAADMP C[N@@H+](CCOCC[NH3+])CCC(=O)N1CCNCC1 ZINC000629577437 373778664 /nfs/dbraw/zinc/77/86/64/373778664.db2.gz HZQPRJDRSINDMU-UHFFFAOYSA-N 2 1 258.366 -1.285 20 0 CAADMP O=C1CN(CC[NH2+]C[C@H](O)C[NH+]2CCCC2)CCN1 ZINC000629572691 373779267 /nfs/dbraw/zinc/77/92/67/373779267.db2.gz ALUCUNJWDOMENV-LBPRGKRZSA-N 2 1 270.377 -1.536 20 0 CAADMP CC(=O)N1CCN(C(=O)C[N@H+](C)CCOCC[NH3+])CC1 ZINC000629575462 373779499 /nfs/dbraw/zinc/77/94/99/373779499.db2.gz NVAGSFJAGNBPFL-UHFFFAOYSA-N 2 1 286.376 -1.416 20 0 CAADMP CC(=O)N1CCN(C(=O)C[N@@H+](C)CCOCC[NH3+])CC1 ZINC000629575462 373779506 /nfs/dbraw/zinc/77/95/06/373779506.db2.gz NVAGSFJAGNBPFL-UHFFFAOYSA-N 2 1 286.376 -1.416 20 0 CAADMP CN(CCOCC[NH3+])C(=O)C(=O)N1C[C@@H]2CC[N@@H+](C)[C@@H]2C1 ZINC000629818533 373787765 /nfs/dbraw/zinc/78/77/65/373787765.db2.gz BSHXUNLEJOLWHA-NWDGAFQWSA-N 2 1 298.387 -1.417 20 0 CAADMP CCN(CC[NH3+])C(=O)C(=O)N1C[C@@H]2CC[N@@H+](C)[C@@H]2C1 ZINC000629813858 373788917 /nfs/dbraw/zinc/78/89/17/373788917.db2.gz MVZHPYJJCKQIGM-WDEREUQCSA-N 2 1 268.361 -1.044 20 0 CAADMP O=C(NCC[NH+]1CC[C@H](O)C1)[C@H]1C[N@H+]2CCN1CCC2 ZINC000629915304 373790908 /nfs/dbraw/zinc/79/09/08/373790908.db2.gz RIWVSUOZOTTWGB-QWHCGFSZSA-N 2 1 282.388 -1.441 20 0 CAADMP C[NH2+]CCOCCNC(=O)NCC[N@H+]1CC[C@@H](O)C1 ZINC000627169154 373843265 /nfs/dbraw/zinc/84/32/65/373843265.db2.gz FECSGTYEQGMDCM-LLVKDONJSA-N 2 1 274.365 -1.412 20 0 CAADMP C[N@H+]1CC[C@@](O)(CNC(=O)NC[C@@H]2COCC[NH2+]2)C1 ZINC000627190097 373847435 /nfs/dbraw/zinc/84/74/35/373847435.db2.gz UTDGGUGMDBMLSK-ZYHUDNBSSA-N 2 1 272.349 -1.659 20 0 CAADMP O=C(NCC[N@@H+]1CC[C@H](O)C1)NC[C@H]1COCC[NH2+]1 ZINC000627191888 373847727 /nfs/dbraw/zinc/84/77/27/373847727.db2.gz JASREXSLHRZDDO-QWRGUYRKSA-N 2 1 272.349 -1.659 20 0 CAADMP C[N@H+]1CC[C@](O)(CNC(=O)NCCOCCC[NH3+])C1 ZINC000627216649 373853708 /nfs/dbraw/zinc/85/37/08/373853708.db2.gz TYCPTHVJUWZWOQ-LBPRGKRZSA-N 2 1 274.365 -1.282 20 0 CAADMP [NH3+]CCCOCCNC(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000627219159 373854323 /nfs/dbraw/zinc/85/43/23/373854323.db2.gz QVOZGGYYEAJZTF-NWDGAFQWSA-N 2 1 286.376 -1.188 20 0 CAADMP CC[N@@H+]1CCO[C@@H](C(=O)NCC(=O)N2CC[NH2+]CC2)C1 ZINC000566619357 373950346 /nfs/dbraw/zinc/95/03/46/373950346.db2.gz OEFFQEDUIWRCQH-LLVKDONJSA-N 2 1 284.360 -1.745 20 0 CAADMP CC[N@H+]1CCO[C@@H](C(=O)NCC(=O)N2CC[NH2+]CC2)C1 ZINC000566619357 373950356 /nfs/dbraw/zinc/95/03/56/373950356.db2.gz OEFFQEDUIWRCQH-LLVKDONJSA-N 2 1 284.360 -1.745 20 0 CAADMP [NH3+][C@H]1C[C@H]2C[N@H+](CCC(=O)N3CCOCC3)CCN2C1=O ZINC000566631088 373950513 /nfs/dbraw/zinc/95/05/13/373950513.db2.gz KGACZXHGFNABRA-RYUDHWBXSA-N 2 1 296.371 -1.521 20 0 CAADMP [NH3+][C@H]1C[C@H]2C[N@@H+](CCC(=O)N3CCOCC3)CCN2C1=O ZINC000566631088 373950522 /nfs/dbraw/zinc/95/05/22/373950522.db2.gz KGACZXHGFNABRA-RYUDHWBXSA-N 2 1 296.371 -1.521 20 0 CAADMP CN(C)C(=O)CC[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000567407979 373956018 /nfs/dbraw/zinc/95/60/18/373956018.db2.gz RGHJUYRAFIZFDM-ZJUUUORDSA-N 2 1 254.334 -1.292 20 0 CAADMP CN(C)C(=O)CC[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000567407976 373956368 /nfs/dbraw/zinc/95/63/68/373956368.db2.gz RGHJUYRAFIZFDM-NXEZZACHSA-N 2 1 254.334 -1.292 20 0 CAADMP O=C1CNCCN1[C@@H]1CCC[N@@H+](CCN2CC[NH2+]CC2)C1 ZINC000568089188 373965085 /nfs/dbraw/zinc/96/50/85/373965085.db2.gz KNDSYYOIEREONB-CQSZACIVSA-N 2 1 295.431 -1.212 20 0 CAADMP COCC[NH2+]CCNC(=O)[C@H](C)N1CC[NH+](C)CC1 ZINC000567736202 373959225 /nfs/dbraw/zinc/95/92/25/373959225.db2.gz QFZTXCJSMUDXKV-LBPRGKRZSA-N 2 1 272.393 -1.026 20 0 CAADMP C[C@H]1CN(C(=O)C(=O)NC2C[NH2+]C2)CC[N@@H+]1CC(C)(C)O ZINC000567573512 373959468 /nfs/dbraw/zinc/95/94/68/373959468.db2.gz JSNADRCNRZRNSB-JTQLQIEISA-N 2 1 298.387 -1.622 20 0 CAADMP C[C@H]1CN(C(=O)C(=O)NC2C[NH2+]C2)CC[N@H+]1CC(C)(C)O ZINC000567573512 373959479 /nfs/dbraw/zinc/95/94/79/373959479.db2.gz JSNADRCNRZRNSB-JTQLQIEISA-N 2 1 298.387 -1.622 20 0 CAADMP C[C@@H]1CCC[N@@H+](CCNC(=O)C(=O)NC2C[NH2+]C2)C1 ZINC000567873673 373962025 /nfs/dbraw/zinc/96/20/25/373962025.db2.gz LCBUWOTUDXACEW-SNVBAGLBSA-N 2 1 268.361 -1.078 20 0 CAADMP C[C@@H]([NH3+])C(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000567842973 373962141 /nfs/dbraw/zinc/96/21/41/373962141.db2.gz GDWXPNIYJCYGMV-MRVPVSSYSA-N 2 1 276.362 -2.221 20 0 CAADMP O=C(NCCN1CC[NH2+]CC1)NCC[N@H+]1CCCOCC1 ZINC000630343908 373908644 /nfs/dbraw/zinc/90/86/44/373908644.db2.gz XDVYZOWZNWJPPK-UHFFFAOYSA-N 2 1 299.419 -1.087 20 0 CAADMP COCC[N@@H+](C)CCCNC(=O)C(=O)N(C)CCC[NH3+] ZINC000567754549 373962592 /nfs/dbraw/zinc/96/25/92/373962592.db2.gz BBZSSLKWWQQNCT-UHFFFAOYSA-N 2 1 288.392 -1.122 20 0 CAADMP CCO[C@@H]1C[N@@H+](CCC(=O)NC(N)=O)C[C@H]1C[NH3+] ZINC000405890743 374002854 /nfs/dbraw/zinc/00/28/54/374002854.db2.gz WXMDDSZNNIXTAM-RKDXNWHRSA-N 2 1 258.322 -1.133 20 0 CAADMP C[C@@H](CNC(=O)C(=O)NC1C[NH2+]C1)[N@@H+](C)C1CC1 ZINC000579573039 374003445 /nfs/dbraw/zinc/00/34/45/374003445.db2.gz GBVAFXGHJLPYOR-QMMMGPOBSA-N 2 1 254.334 -1.327 20 0 CAADMP COCCC[N@@H+](C)CCNC(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000580844327 374007354 /nfs/dbraw/zinc/00/73/54/374007354.db2.gz MDBTVPOSGGKNOF-NSHDSACASA-N 2 1 286.376 -1.451 20 0 CAADMP COCC[N@H+]1CC[C@H](NC(=O)C(=O)N[C@H]2CC[NH2+]C2)C1 ZINC000573140918 373979447 /nfs/dbraw/zinc/97/94/47/373979447.db2.gz KNRCFFJMYFJAEO-QWRGUYRKSA-N 2 1 284.360 -1.699 20 0 CAADMP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)N[C@H]2CC[NH2+]C2)C1 ZINC000573140919 373980469 /nfs/dbraw/zinc/98/04/69/373980469.db2.gz KNRCFFJMYFJAEO-WDEREUQCSA-N 2 1 284.360 -1.699 20 0 CAADMP CC(C)[C@@H]1CN(C(=O)C(=O)NC2C[NH2+]C2)CC[N@@H+]1C ZINC000573701855 373982523 /nfs/dbraw/zinc/98/25/23/373982523.db2.gz KEIGPXDPYBNDPZ-NSHDSACASA-N 2 1 268.361 -1.127 20 0 CAADMP CC(C)[C@@H]1CN(C(=O)C(=O)NC2C[NH2+]C2)CC[N@H+]1C ZINC000573701855 373982529 /nfs/dbraw/zinc/98/25/29/373982529.db2.gz KEIGPXDPYBNDPZ-NSHDSACASA-N 2 1 268.361 -1.127 20 0 CAADMP C[N@H+]1CC[C@H]2CCN(C(=O)C(=O)NC3C[NH2+]C3)[C@H]2C1 ZINC000573906272 373984186 /nfs/dbraw/zinc/98/41/86/373984186.db2.gz FQUALWDMZHFNAE-ONGXEEELSA-N 2 1 266.345 -1.373 20 0 CAADMP COCC[N@@H+](C)C[C@H](O)CN1C[C@H](O)[C@@H]([NH+](C)C)C1 ZINC000573741009 373984306 /nfs/dbraw/zinc/98/43/06/373984306.db2.gz LGJAMQIGHJOJSC-AVGNSLFASA-N 2 1 275.393 -1.468 20 0 CAADMP C[N@H+]1CC[C@@H]2CCN(C(=O)C(=O)NC3C[NH2+]C3)[C@H]2C1 ZINC000573906270 373984446 /nfs/dbraw/zinc/98/44/46/373984446.db2.gz FQUALWDMZHFNAE-KOLCDFICSA-N 2 1 266.345 -1.373 20 0 CAADMP CC[C@@H](O)C[NH+]1CCN(C(=O)C(=O)N[C@H]2CC[NH2+]C2)CC1 ZINC000577867872 373986728 /nfs/dbraw/zinc/98/67/28/373986728.db2.gz FMHOSYFCEJRJIK-NWDGAFQWSA-N 2 1 298.387 -1.620 20 0 CAADMP [NH3+]C[C@@H]1CN(CCC(=O)N2CCNCC2)CCO1 ZINC000578132762 373990637 /nfs/dbraw/zinc/99/06/37/373990637.db2.gz WCFOFHHGZTXRBW-LLVKDONJSA-N 3 1 256.350 -1.532 20 0 CAADMP CC[N@@H+]1CCO[C@H](C(=O)NC[C@H]2C[NH2+]CCO2)C1 ZINC000578236295 373991159 /nfs/dbraw/zinc/99/11/59/373991159.db2.gz IHSLJSIFFJUFQD-MNOVXSKESA-N 2 1 257.334 -1.188 20 0 CAADMP Cn1c[nH+]cc1CCCN1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC000578374711 373991613 /nfs/dbraw/zinc/99/16/13/373991613.db2.gz JQNYCTQSQBDWTJ-LBPRGKRZSA-N 2 1 291.355 -1.005 20 0 CAADMP Cn1c[nH+]cc1CCCN1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC000578374710 373991950 /nfs/dbraw/zinc/99/19/50/373991950.db2.gz JQNYCTQSQBDWTJ-GFCCVEGCSA-N 2 1 291.355 -1.005 20 0 CAADMP C[C@@H](CNC(=O)C(=O)N[C@@H]1CC[NH2+]C1)C[NH+]1CCOCC1 ZINC000627346421 374080427 /nfs/dbraw/zinc/08/04/27/374080427.db2.gz QDFUXZFBCSJLEI-NWDGAFQWSA-N 2 1 298.387 -1.451 20 0 CAADMP C[NH2+]CCOCCNC(=O)C(=O)NCCn1cc[nH+]c1C ZINC000627346006 374080662 /nfs/dbraw/zinc/08/06/62/374080662.db2.gz BMDPJXSTLGUQPA-UHFFFAOYSA-N 2 1 297.359 -1.340 20 0 CAADMP C[C@H](CNC(=O)C(=O)N[C@@H]1CC[NH2+]C1)C[NH+]1CCOCC1 ZINC000627346422 374080991 /nfs/dbraw/zinc/08/09/91/374080991.db2.gz QDFUXZFBCSJLEI-VXGBXAGGSA-N 2 1 298.387 -1.451 20 0 CAADMP C[N@@H+](CCNC(=O)C(=O)NC[C@H]1COCC[NH2+]1)C1CC1 ZINC000627319544 374072064 /nfs/dbraw/zinc/07/20/64/374072064.db2.gz XGOJBGLBNVIXBI-JTQLQIEISA-N 2 1 284.360 -1.699 20 0 CAADMP O=C(N[C@@H]1CC[NH2+]C1)C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000627325559 374074023 /nfs/dbraw/zinc/07/40/23/374074023.db2.gz NSZMADHTHKSGHJ-NXEZZACHSA-N 2 1 266.345 -1.183 20 0 CAADMP C[NH2+]CCOCCNC(=O)C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000627325264 374074269 /nfs/dbraw/zinc/07/42/69/374074269.db2.gz DBYXBLRAMAGHKS-NSHDSACASA-N 2 1 298.387 -1.309 20 0 CAADMP O=C(N[C@@H]1CC[NH2+]C1)C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000627325560 374075029 /nfs/dbraw/zinc/07/50/29/374075029.db2.gz NSZMADHTHKSGHJ-ZJUUUORDSA-N 2 1 266.345 -1.183 20 0 CAADMP O=C(NC[C@@H]1COCC[NH2+]1)C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000627325761 374076736 /nfs/dbraw/zinc/07/67/36/374076736.db2.gz TUUHIHPNHDNFBG-WDEREUQCSA-N 2 1 296.371 -1.556 20 0 CAADMP O=C(NC[C@H]1COCC[NH2+]1)C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000627325760 374076973 /nfs/dbraw/zinc/07/69/73/374076973.db2.gz TUUHIHPNHDNFBG-QWRGUYRKSA-N 2 1 296.371 -1.556 20 0 CAADMP COCC[N@H+]1CCC[C@H]1CNC(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000627367612 374115804 /nfs/dbraw/zinc/11/58/04/374115804.db2.gz ZHGVBKQMCGVVAY-NEPJUHHUSA-N 2 1 298.387 -1.309 20 0 CAADMP C[C@@H](NC(=O)C(=O)N[C@@H]1CC[NH2+][C@H]1C)[C@H]1C[N@H+](C)CCO1 ZINC000627355603 374115822 /nfs/dbraw/zinc/11/58/22/374115822.db2.gz LDICJHMZDIIQOS-IRCOFANPSA-N 2 1 298.387 -1.312 20 0 CAADMP C[C@@H](NC(=O)C(=O)N[C@@H]1CC[NH2+][C@H]1C)[C@H]1C[N@@H+](C)CCO1 ZINC000627355603 374115824 /nfs/dbraw/zinc/11/58/24/374115824.db2.gz LDICJHMZDIIQOS-IRCOFANPSA-N 2 1 298.387 -1.312 20 0 CAADMP C[C@H](CNC(=O)C(=O)NC[C@H]1COCC[NH2+]1)[N@@H+](C)C1CC1 ZINC000627372748 374116150 /nfs/dbraw/zinc/11/61/50/374116150.db2.gz WDFQOBNSROXWBP-MNOVXSKESA-N 2 1 298.387 -1.310 20 0 CAADMP CCN(CC[NH3+])C(=O)C(=O)N[C@@H]1CC[N@@H+](CCOC)C1 ZINC000627386118 374118388 /nfs/dbraw/zinc/11/83/88/374118388.db2.gz GNUXWYMUXDGHJG-LLVKDONJSA-N 2 1 286.376 -1.370 20 0 CAADMP O=C(NCCC[NH+]1CCOCC1)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000627390756 374118567 /nfs/dbraw/zinc/11/85/67/374118567.db2.gz WKEDWGLEWBYBEX-LLVKDONJSA-N 2 1 284.360 -1.697 20 0 CAADMP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NCCC[NH+]1CCOCC1 ZINC000627390828 374118917 /nfs/dbraw/zinc/11/89/17/374118917.db2.gz ZCJUWLULJWOYAJ-NWDGAFQWSA-N 2 1 298.387 -1.309 20 0 CAADMP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000627503445 374134510 /nfs/dbraw/zinc/13/45/10/374134510.db2.gz MTIIAANALMKGID-NNYUYHANSA-N 2 1 296.371 -1.870 20 0 CAADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)NC[C@@H]2COCC[NH2+]2)C1 ZINC000627429056 374122936 /nfs/dbraw/zinc/12/29/36/374122936.db2.gz WPJLMATUZPPYJX-NWDGAFQWSA-N 2 1 298.387 -1.309 20 0 CAADMP C[N@H+]1CCC[C@@H](NC(=O)C(=O)NCC2([NH3+])CCOCC2)C1 ZINC000627452083 374124657 /nfs/dbraw/zinc/12/46/57/374124657.db2.gz AFUWSECOIITSCH-LLVKDONJSA-N 2 1 298.387 -1.179 20 0 CAADMP C[NH2+]CCOCCNC(=O)C(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000627461125 374124806 /nfs/dbraw/zinc/12/48/06/374124806.db2.gz FLINDWXRRWSZJK-NSHDSACASA-N 2 1 286.376 -1.451 20 0 CAADMP C[NH2+]CCOCCNC(=O)C(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000627461124 374124824 /nfs/dbraw/zinc/12/48/24/374124824.db2.gz FLINDWXRRWSZJK-LLVKDONJSA-N 2 1 286.376 -1.451 20 0 CAADMP CN(C[C@H]1CCC[N@H+]1C)C(=O)C(=O)NC[C@H]1COCC[NH2+]1 ZINC000627475868 374130159 /nfs/dbraw/zinc/13/01/59/374130159.db2.gz WEWOCFCIFRHICD-NWDGAFQWSA-N 2 1 298.387 -1.356 20 0 CAADMP CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000627475597 374130288 /nfs/dbraw/zinc/13/02/88/374130288.db2.gz QBXUTEVOEBMESD-LLVKDONJSA-N 2 1 298.387 -1.356 20 0 CAADMP C[N@H+]1CCC[C@@H](N2CCN(c3nc(N)[nH+]c(N)n3)CC2)C1 ZINC000623974953 374097345 /nfs/dbraw/zinc/09/73/45/374097345.db2.gz VASXLQFGAALJSD-SNVBAGLBSA-N 2 1 292.391 -1.087 20 0 CAADMP COCC[N@H+]1CCC[C@H](Nc2nc(N)[nH+]c(N)n2)C1 ZINC000623951272 374097854 /nfs/dbraw/zinc/09/78/54/374097854.db2.gz GTMVGADXLJQTMB-QMMMGPOBSA-N 2 1 267.337 -1.359 20 0 CAADMP Nc1nc(NC[C@H]2CCCC[N@H+]2CCO)nc(N)[nH+]1 ZINC000624248874 374108716 /nfs/dbraw/zinc/10/87/16/374108716.db2.gz HNSLAVFOKIPZGT-MRVPVSSYSA-N 2 1 267.337 -1.623 20 0 CAADMP C[N@H+]1CCN(CCNc2nc(N)[nH+]c(N)n2)CC1(C)C ZINC000624184896 374108958 /nfs/dbraw/zinc/10/89/58/374108958.db2.gz ZVXMMURFCVXBPK-UHFFFAOYSA-N 2 1 280.380 -1.443 20 0 CAADMP O=C(NCC[NH+]1CCSCC1)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000627505212 374136808 /nfs/dbraw/zinc/13/68/08/374136808.db2.gz CSOKMWVRBWGPMK-SNVBAGLBSA-N 2 1 286.401 -1.371 20 0 CAADMP C[C@H]1C[NH2+]CCN1S(=O)(=O)C[C@H]1C[NH2+]CCO1 ZINC000631902339 374150818 /nfs/dbraw/zinc/15/08/18/374150818.db2.gz IGGFHNSWYNSXJJ-VHSXEESVSA-N 2 1 263.363 -1.402 20 0 CAADMP C[C@@H]1CN(S(=O)(=O)C[C@H]2C[NH2+]CCO2)CC[NH2+]1 ZINC000631904153 374151228 /nfs/dbraw/zinc/15/12/28/374151228.db2.gz GEGKJUYQCPHWES-NXEZZACHSA-N 2 1 263.363 -1.402 20 0 CAADMP C[C@@H]1C[NH2+]CCN1S(=O)(=O)C[C@H]1C[NH2+]CCO1 ZINC000631902337 374151360 /nfs/dbraw/zinc/15/13/60/374151360.db2.gz IGGFHNSWYNSXJJ-NXEZZACHSA-N 2 1 263.363 -1.402 20 0 CAADMP C[C@@H]1CN(S(=O)(=O)C[C@@H]2C[NH2+]CCO2)C[C@H](C)[NH2+]1 ZINC000631904516 374151994 /nfs/dbraw/zinc/15/19/94/374151994.db2.gz PYCUPKHFLSQMRE-AXFHLTTASA-N 2 1 277.390 -1.013 20 0 CAADMP CN1CCN(S(=O)(=O)CC2([NH+](C)C)CC2)[C@H](C[NH3+])C1 ZINC000631907487 374154365 /nfs/dbraw/zinc/15/43/65/374154365.db2.gz LTMNXWPJIIEJNM-LLVKDONJSA-N 2 1 290.433 -1.015 20 0 CAADMP [NH3+]CC[C@H](NS(=O)(=O)C[C@@H]1C[NH2+]CCO1)C(F)F ZINC000631942929 374156050 /nfs/dbraw/zinc/15/60/50/374156050.db2.gz JCZINRYEJHOSAU-YUMQZZPRSA-N 2 1 287.332 -1.123 20 0 CAADMP [NH3+]CC[C@@H](NS(=O)(=O)C[C@@H]1C[NH2+]CCO1)C(F)F ZINC000631942927 374156450 /nfs/dbraw/zinc/15/64/50/374156450.db2.gz JCZINRYEJHOSAU-JGVFFNPUSA-N 2 1 287.332 -1.123 20 0 CAADMP [NH3+]CC[C@@H](NS(=O)(=O)C[C@H]1C[NH2+]CCO1)C(F)F ZINC000631942926 374156964 /nfs/dbraw/zinc/15/69/64/374156964.db2.gz JCZINRYEJHOSAU-HTQZYQBOSA-N 2 1 287.332 -1.123 20 0 CAADMP C[NH+](C)CCCS(=O)(=O)NC[C@@]1(O)CC[N@@H+](C)C1 ZINC000632213358 374166039 /nfs/dbraw/zinc/16/60/39/374166039.db2.gz HAVQHQMMMITZSQ-NSHDSACASA-N 2 1 279.406 -1.076 20 0 CAADMP CC(C)[C@H]1CN(C(=O)CNC(=O)C[NH3+])CC[N@H+]1C ZINC000634300797 374199219 /nfs/dbraw/zinc/19/92/19/374199219.db2.gz MAEDVRQRAQYQGB-SNVBAGLBSA-N 2 1 256.350 -1.140 20 0 CAADMP [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)[C@@H]2COCC[NH2+]2)C1 ZINC000429005653 295234333 /nfs/dbraw/zinc/23/43/33/295234333.db2.gz KCSPSEWCNKZJAY-MNOVXSKESA-N 2 1 284.360 -1.712 20 0 CAADMP C[N@H+]1CCC[C@H]1C(=O)N1CCN([C@H]2COC[C@H]2O)CC1 ZINC000574735231 335043331 /nfs/dbraw/zinc/04/33/31/335043331.db2.gz UFTUVMLLKHGHTP-RWMBFGLXSA-N 2 1 283.372 -1.016 20 0 CAADMP CC[N@H+]1CCCN(C(=O)C(=O)N2CC[NH2+]CC2)CC1 ZINC000307867285 252087883 /nfs/dbraw/zinc/08/78/83/252087883.db2.gz QRUKQQCOFPBUGJ-UHFFFAOYSA-N 2 1 268.361 -1.028 20 0 CAADMP CNC(=O)NC(=O)CC[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000063180452 252078045 /nfs/dbraw/zinc/07/80/45/252078045.db2.gz ZPDHIHVNHAKMBM-JTQLQIEISA-N 2 1 299.375 -1.381 20 0 CAADMP CNC(=O)NC(=O)[C@@H](C)[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000063180352 252078196 /nfs/dbraw/zinc/07/81/96/252078196.db2.gz MSEJZNJFMWANGF-ZJUUUORDSA-N 2 1 299.375 -1.383 20 0 CAADMP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](CC(=O)N2CCOCC2)C1 ZINC000063179798 252078664 /nfs/dbraw/zinc/07/86/64/252078664.db2.gz ZNVVQENFNKSEDL-LBPRGKRZSA-N 2 1 298.387 -1.368 20 0 CAADMP Cn1ccnc(N2CC[NH+](CCOCC[NH3+])CC2)c1=O ZINC000357069027 252145097 /nfs/dbraw/zinc/14/50/97/252145097.db2.gz FDYZPPKRRJJUCK-UHFFFAOYSA-N 2 1 281.360 -1.122 20 0 CAADMP NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)C[C@H]1COCC[NH2+]1 ZINC000357169122 252147763 /nfs/dbraw/zinc/14/77/63/252147763.db2.gz CHONZRDDFSLSEC-RYUDHWBXSA-N 2 1 298.387 -1.179 20 0 CAADMP COCCC[N@@H+](C)CCNC(=O)[C@H]1C[C@H](O)C[NH2+]1 ZINC000357934180 252153126 /nfs/dbraw/zinc/15/31/26/252153126.db2.gz ZYOJQCOTIPHPEU-WDEREUQCSA-N 2 1 259.350 -1.206 20 0 CAADMP C[C@H](CC[NH+]1CCOCC1)NC(=O)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000357926262 252153515 /nfs/dbraw/zinc/15/35/15/252153515.db2.gz QAHUDSQYWIGARZ-IJLUTSLNSA-N 2 1 271.361 -1.064 20 0 CAADMP COCCC[N@@H+](C)CCNC(=O)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000357934178 252153639 /nfs/dbraw/zinc/15/36/39/252153639.db2.gz ZYOJQCOTIPHPEU-MNOVXSKESA-N 2 1 259.350 -1.206 20 0 CAADMP C[C@H](CC[NH+]1CCOCC1)NC(=O)[C@H]1C[C@H](O)C[NH2+]1 ZINC000357926260 252153887 /nfs/dbraw/zinc/15/38/87/252153887.db2.gz QAHUDSQYWIGARZ-GRYCIOLGSA-N 2 1 271.361 -1.064 20 0 CAADMP COCC[N@@H+](C)CCCNC(=O)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000357928968 252154147 /nfs/dbraw/zinc/15/41/47/252154147.db2.gz MUBNJWZGSFTBMF-GHMZBOCLSA-N 2 1 259.350 -1.206 20 0 CAADMP COCCC[N@@H+](C)CCNC(=O)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000357934179 252154187 /nfs/dbraw/zinc/15/41/87/252154187.db2.gz ZYOJQCOTIPHPEU-QWRGUYRKSA-N 2 1 259.350 -1.206 20 0 CAADMP CC[N@@H+]1CCO[C@H](C(=O)N2CCO[C@H](C[NH3+])C2)C1 ZINC000358511103 252156011 /nfs/dbraw/zinc/15/60/11/252156011.db2.gz CYAIOINFMAAAQX-MNOVXSKESA-N 2 1 257.334 -1.107 20 0 CAADMP CC[N@H+]1CCO[C@H](C(=O)N2CCO[C@H](C[NH3+])C2)C1 ZINC000358511103 252156015 /nfs/dbraw/zinc/15/60/15/252156015.db2.gz CYAIOINFMAAAQX-MNOVXSKESA-N 2 1 257.334 -1.107 20 0 CAADMP CC[N@@H+]1CCO[C@@H](C(=O)N2CCO[C@H](C[NH3+])C2)C1 ZINC000358511101 252156493 /nfs/dbraw/zinc/15/64/93/252156493.db2.gz CYAIOINFMAAAQX-GHMZBOCLSA-N 2 1 257.334 -1.107 20 0 CAADMP CC[N@H+]1CCO[C@@H](C(=O)N2CCO[C@H](C[NH3+])C2)C1 ZINC000358511101 252156495 /nfs/dbraw/zinc/15/64/95/252156495.db2.gz CYAIOINFMAAAQX-GHMZBOCLSA-N 2 1 257.334 -1.107 20 0 CAADMP C[NH+](C)CCN1C(=O)C[C@@H]([N@H+]2CCC[C@H](C(N)=O)C2)C1=O ZINC000359204724 252158717 /nfs/dbraw/zinc/15/87/17/252158717.db2.gz JGXHQRUKQGBFPN-WDEREUQCSA-N 2 1 296.371 -1.127 20 0 CAADMP C[NH+](C)CCN1C(=O)C[C@H]([N@H+]2CCC[C@H](C(N)=O)C2)C1=O ZINC000359204721 252159749 /nfs/dbraw/zinc/15/97/49/252159749.db2.gz JGXHQRUKQGBFPN-QWRGUYRKSA-N 2 1 296.371 -1.127 20 0 CAADMP CN1CCN(C(=O)CN2CC[C@@]3(CNC(=O)C3)C2)CC1 ZINC000369304618 252188285 /nfs/dbraw/zinc/18/82/85/252188285.db2.gz DMCVLDRYHFHVTP-CQSZACIVSA-N 2 1 280.372 -1.028 20 0 CAADMP CN1CCN(C(=O)CN2CC[C@]3(CNC(=O)C3)C2)CC1 ZINC000369304617 252188765 /nfs/dbraw/zinc/18/87/65/252188765.db2.gz DMCVLDRYHFHVTP-AWEZNQCLSA-N 2 1 280.372 -1.028 20 0 CAADMP CCN1CCN(C(=O)[C@@H](C)[N@H+]2C[C@H](O)C[C@H]2CO)CC1 ZINC000372159655 252193712 /nfs/dbraw/zinc/19/37/12/252193712.db2.gz DFYMYVXXNCXMJT-FRRDWIJNSA-N 2 1 285.388 -1.034 20 0 CAADMP CN1CCN(C(=O)CC[N@H+]2CCN3C(=O)NC[C@@H]3C2)CC1 ZINC000376238064 252203775 /nfs/dbraw/zinc/20/37/75/252203775.db2.gz BVUGPYWNHCKDGR-GFCCVEGCSA-N 2 1 295.387 -1.140 20 0 CAADMP CN1CCN(C(=O)CC[N@H+]2CCN3C(=O)NC[C@H]3C2)CC1 ZINC000376238065 252204661 /nfs/dbraw/zinc/20/46/61/252204661.db2.gz BVUGPYWNHCKDGR-LBPRGKRZSA-N 2 1 295.387 -1.140 20 0 CAADMP COCC[N@@H+]1CCN(C(=O)CNC(=O)C[NH3+])C[C@H]1C ZINC000125229997 532950139 /nfs/dbraw/zinc/95/01/39/532950139.db2.gz ORDRMSLYCFRMIC-SNVBAGLBSA-N 2 1 272.349 -1.760 20 0 CAADMP COCC[N@H+]1CCN(C(=O)CNC(=O)C[NH3+])C[C@H]1C ZINC000125229997 532950143 /nfs/dbraw/zinc/95/01/43/532950143.db2.gz ORDRMSLYCFRMIC-SNVBAGLBSA-N 2 1 272.349 -1.760 20 0 CAADMP CC[C@@H]([NH3+])C(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000515843308 252254803 /nfs/dbraw/zinc/25/48/03/252254803.db2.gz ZUQPHDCTFNRDNM-SNVBAGLBSA-N 2 1 290.389 -1.831 20 0 CAADMP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)C(=O)NC1C[NH2+]C1 ZINC000515224409 252252513 /nfs/dbraw/zinc/25/25/13/252252513.db2.gz HEWSYOVXEYTCSO-LLVKDONJSA-N 2 1 268.361 -1.127 20 0 CAADMP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)NC1C[NH2+]C1 ZINC000515224409 252252516 /nfs/dbraw/zinc/25/25/16/252252516.db2.gz HEWSYOVXEYTCSO-LLVKDONJSA-N 2 1 268.361 -1.127 20 0 CAADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000262545016 285026970 /nfs/dbraw/zinc/02/69/70/285026970.db2.gz RUGFGXBCMJDHLA-UTUOFQBUSA-N 2 1 271.361 -1.064 20 0 CAADMP COCC[NH2+]CC(=O)NCCC[N@H+]1CCC[C@@H]1C(N)=O ZINC000430902565 285075551 /nfs/dbraw/zinc/07/55/51/285075551.db2.gz BWORUOUOWGFORR-LLVKDONJSA-N 2 1 286.376 -1.322 20 0 CAADMP C[C@@H](C(=O)N1CCN(C)C[C@@H]1C[NH3+])N1CC[NH+](C)CC1 ZINC000574811221 335049087 /nfs/dbraw/zinc/04/90/87/335049087.db2.gz CMQUFXIRMKMTQW-STQMWFEESA-N 2 1 283.420 -1.276 20 0 CAADMP C[C@@H](C(=O)N1CCN(C)C[C@H]1C[NH3+])N1CC[NH+](C)CC1 ZINC000574811218 335049145 /nfs/dbraw/zinc/04/91/45/335049145.db2.gz CMQUFXIRMKMTQW-QWHCGFSZSA-N 2 1 283.420 -1.276 20 0 CAADMP C[NH+](C)[C@@H](C(=O)N[C@@H]1C[N@H+](CCO)C[C@H]1O)C1CC1 ZINC001193791678 781976725 /nfs/dbraw/zinc/97/67/25/781976725.db2.gz OMXWWTNHYDDEFD-IJLUTSLNSA-N 2 1 271.361 -1.520 20 0 CAADMP C[NH+](C)[C@@H](C(=O)N[C@@H]1C[N@@H+](CCO)C[C@H]1O)C1CC1 ZINC001193791678 781976736 /nfs/dbraw/zinc/97/67/36/781976736.db2.gz OMXWWTNHYDDEFD-IJLUTSLNSA-N 2 1 271.361 -1.520 20 0 CAADMP C[NH+](CC(=O)N[C@@H]1C[N@@H+](CCO)C[C@H]1O)C1CCC1 ZINC001193828649 781976950 /nfs/dbraw/zinc/97/69/50/781976950.db2.gz SVRVKANJQTUIDJ-VXGBXAGGSA-N 2 1 271.361 -1.376 20 0 CAADMP C[N@@H+](CC(=O)N[C@@H]1C[NH+](CCO)C[C@H]1O)C1CCC1 ZINC001193828649 781976936 /nfs/dbraw/zinc/97/69/36/781976936.db2.gz SVRVKANJQTUIDJ-VXGBXAGGSA-N 2 1 271.361 -1.376 20 0 CAADMP C[NH+](CC(=O)N[C@@H]1C[N@H+](CCO)C[C@H]1O)C1CCC1 ZINC001193828649 781976939 /nfs/dbraw/zinc/97/69/39/781976939.db2.gz SVRVKANJQTUIDJ-VXGBXAGGSA-N 2 1 271.361 -1.376 20 0 CAADMP C[NH+](C)[C@H](C(=O)N[C@@H]1C[N@@H+](CCCO)C[C@H]1O)C1CC1 ZINC001193792090 781977975 /nfs/dbraw/zinc/97/79/75/781977975.db2.gz WWLGAUAXIRGTDC-UPJWGTAASA-N 2 1 285.388 -1.130 20 0 CAADMP CC(C)[C@@H](C(=O)N[C@@H]1C[N@H+](CCO)C[C@H]1O)[NH+](C)C ZINC001193961544 781981519 /nfs/dbraw/zinc/98/15/19/781981519.db2.gz WCMJSHUCFWXSCL-UTUOFQBUSA-N 2 1 273.377 -1.274 20 0 CAADMP CC(C)[C@@H](C(=O)N[C@@H]1C[N@@H+](CCO)C[C@H]1O)[NH+](C)C ZINC001193961544 781981526 /nfs/dbraw/zinc/98/15/26/781981526.db2.gz WCMJSHUCFWXSCL-UTUOFQBUSA-N 2 1 273.377 -1.274 20 0 CAADMP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](CCO)C[C@H]1O ZINC001194265543 781986194 /nfs/dbraw/zinc/98/61/94/781986194.db2.gz SRMNLENSEHWJDL-GHMZBOCLSA-N 2 1 273.377 -1.130 20 0 CAADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](CCO)C[C@H]1O ZINC001194265543 781986201 /nfs/dbraw/zinc/98/62/01/781986201.db2.gz SRMNLENSEHWJDL-GHMZBOCLSA-N 2 1 273.377 -1.130 20 0 CAADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@H+](CCO)C[C@H]1O ZINC001194265543 781986209 /nfs/dbraw/zinc/98/62/09/781986209.db2.gz SRMNLENSEHWJDL-GHMZBOCLSA-N 2 1 273.377 -1.130 20 0 CAADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](CCO)C[C@H]1O ZINC001194265543 781986216 /nfs/dbraw/zinc/98/62/16/781986216.db2.gz SRMNLENSEHWJDL-GHMZBOCLSA-N 2 1 273.377 -1.130 20 0 CAADMP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](C[C@@H]2CNCCO2)C1 ZINC000662242716 409319821 /nfs/dbraw/zinc/31/98/21/409319821.db2.gz GXRLORWDYOHVJO-RYUDHWBXSA-N 2 1 270.377 -1.238 20 0 CAADMP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](C[C@H]2CNCCO2)C1 ZINC000662242715 409319952 /nfs/dbraw/zinc/31/99/52/409319952.db2.gz GXRLORWDYOHVJO-NWDGAFQWSA-N 2 1 270.377 -1.238 20 0 CAADMP Cn1c[nH+]cc1CCCN(CC[NH3+])C[C@H](O)CO ZINC000662286664 409323307 /nfs/dbraw/zinc/32/33/07/409323307.db2.gz VVQBAACCGOSCGK-LBPRGKRZSA-N 2 1 256.350 -1.033 20 0 CAADMP COCC[N@@H+](C)CCCNC(=O)c1cn(CC[NH3+])nn1 ZINC000662384713 409323340 /nfs/dbraw/zinc/32/33/40/409323340.db2.gz USTXHUKYKKCPBB-UHFFFAOYSA-N 2 1 284.364 -1.065 20 0 CAADMP C[C@H]1C[N@H+](CCN(CC[NH3+])C[C@H](O)CO)CCO1 ZINC000662288955 409323894 /nfs/dbraw/zinc/32/38/94/409323894.db2.gz WBOGTVQSONJUDO-RYUDHWBXSA-N 2 1 261.366 -1.679 20 0 CAADMP C[C@H]1C[N@@H+](CCN(CC[NH3+])C[C@H](O)CO)CCO1 ZINC000662288955 409323897 /nfs/dbraw/zinc/32/38/97/409323897.db2.gz WBOGTVQSONJUDO-RYUDHWBXSA-N 2 1 261.366 -1.679 20 0 CAADMP C[C@H]1C[N@H+](CCN(CC[NH3+])C[C@@H](O)CO)CCO1 ZINC000662288952 409324582 /nfs/dbraw/zinc/32/45/82/409324582.db2.gz WBOGTVQSONJUDO-NWDGAFQWSA-N 2 1 261.366 -1.679 20 0 CAADMP C[C@H]1C[N@@H+](CCN(CC[NH3+])C[C@@H](O)CO)CCO1 ZINC000662288952 409324587 /nfs/dbraw/zinc/32/45/87/409324587.db2.gz WBOGTVQSONJUDO-NWDGAFQWSA-N 2 1 261.366 -1.679 20 0 CAADMP C[C@@H](CNC(=O)CNC(=O)C[NH3+])[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655487860 409372297 /nfs/dbraw/zinc/37/22/97/409372297.db2.gz NZLFIIBVKUEHLI-GARJFASQSA-N 2 1 286.376 -1.325 20 0 CAADMP C[C@@H](CNC(=O)CNC(=O)C[NH3+])[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655487860 409372303 /nfs/dbraw/zinc/37/23/03/409372303.db2.gz NZLFIIBVKUEHLI-GARJFASQSA-N 2 1 286.376 -1.325 20 0 CAADMP C[NH+]1CCN(C(=O)CC[NH+]2CCC(O)(CO)CC2)CC1 ZINC000661619307 409380959 /nfs/dbraw/zinc/38/09/59/409380959.db2.gz LYNDKJLRXVLWAD-UHFFFAOYSA-N 2 1 285.388 -1.030 20 0 CAADMP C[NH2+]C[C@@](C)(O)C[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000652335479 409394142 /nfs/dbraw/zinc/39/41/42/409394142.db2.gz LKUWUOMDGLKKJP-DGCLKSJQSA-N 3 1 272.393 -1.256 20 0 CAADMP C[NH2+]C[C@@](C)(O)CN1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000652335479 409394148 /nfs/dbraw/zinc/39/41/48/409394148.db2.gz LKUWUOMDGLKKJP-DGCLKSJQSA-N 2 1 272.393 -1.256 20 0 CAADMP COCC[N@@H+](C)CCNC(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653114885 409332097 /nfs/dbraw/zinc/33/20/97/409332097.db2.gz ZTTMZEMHFXZXCE-AAEUAGOBSA-N 2 1 271.361 -1.083 20 0 CAADMP O=C([C@H]1C[NH+]2CCN1CCC2)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000655297373 409332525 /nfs/dbraw/zinc/33/25/25/409332525.db2.gz XSMSPNRHQTXNPA-BFHYXJOUSA-N 2 1 294.399 -1.346 20 0 CAADMP O=C([C@H]1C[N@@H+]2CCN1CCC2)N1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC000655297373 409332528 /nfs/dbraw/zinc/33/25/28/409332528.db2.gz XSMSPNRHQTXNPA-BFHYXJOUSA-N 2 1 294.399 -1.346 20 0 CAADMP O=C([C@H]1C[N@H+]2CCN1CCC2)N1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC000655297373 409332533 /nfs/dbraw/zinc/33/25/33/409332533.db2.gz XSMSPNRHQTXNPA-BFHYXJOUSA-N 2 1 294.399 -1.346 20 0 CAADMP O=C([C@@H]1C[NH+]2CCN1CCC2)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000655297374 409333353 /nfs/dbraw/zinc/33/33/53/409333353.db2.gz XSMSPNRHQTXNPA-MJBXVCDLSA-N 2 1 294.399 -1.346 20 0 CAADMP O=C([C@@H]1C[N@@H+]2CCN1CCC2)N1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC000655297374 409333358 /nfs/dbraw/zinc/33/33/58/409333358.db2.gz XSMSPNRHQTXNPA-MJBXVCDLSA-N 2 1 294.399 -1.346 20 0 CAADMP O=C([C@@H]1C[N@H+]2CCN1CCC2)N1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC000655297374 409333362 /nfs/dbraw/zinc/33/33/62/409333362.db2.gz XSMSPNRHQTXNPA-MJBXVCDLSA-N 2 1 294.399 -1.346 20 0 CAADMP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)C2(O)C[NH2+]C2)C1 ZINC000662706919 409335383 /nfs/dbraw/zinc/33/53/83/409335383.db2.gz YZFQNNOOKATYRF-SNVBAGLBSA-N 2 1 284.360 -1.976 20 0 CAADMP O=C(NC[C@@H]1C[N@H+]2CCN1CCC2)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000662908418 409337921 /nfs/dbraw/zinc/33/79/21/409337921.db2.gz UHXFZVLVWYQUMH-NDBYEHHHSA-N 2 1 264.373 -1.042 20 0 CAADMP COCC[N@@H+](C)CCNC(=O)NC[C@@]1(O)CC[NH+](C)C1 ZINC000358702480 409345525 /nfs/dbraw/zinc/34/55/25/409345525.db2.gz FNCYVJYTMKBMRE-ZDUSSCGKSA-N 2 1 288.392 -1.070 20 0 CAADMP COCC[NH+](C)CCNC(=O)NC[C@@]1(O)CC[N@H+](C)C1 ZINC000358702480 409345532 /nfs/dbraw/zinc/34/55/32/409345532.db2.gz FNCYVJYTMKBMRE-ZDUSSCGKSA-N 2 1 288.392 -1.070 20 0 CAADMP COCC[NH+](C)CCNC(=O)NC[C@@]1(O)CC[N@@H+](C)C1 ZINC000358702480 409345536 /nfs/dbraw/zinc/34/55/36/409345536.db2.gz FNCYVJYTMKBMRE-ZDUSSCGKSA-N 2 1 288.392 -1.070 20 0 CAADMP Cn1cc(C[N@@H+](C)CCN2CC[NH2+]CC2)c(=O)n(C)c1=O ZINC000647493270 409347973 /nfs/dbraw/zinc/34/79/73/409347973.db2.gz YKWJBMHUQUMPDG-UHFFFAOYSA-N 2 1 295.387 -1.579 20 0 CAADMP C[C@@H](O)C[N@@H+](CC(=O)N1CCN(C)CC1)[C@H](C)CO ZINC000248966822 409352892 /nfs/dbraw/zinc/35/28/92/409352892.db2.gz RXJLEWQIDPUKIY-VXGBXAGGSA-N 2 1 273.377 -1.176 20 0 CAADMP C[NH+]1CCN(C(=O)CC[N@H+](CCO)CCCO)CC1 ZINC000338310792 409405184 /nfs/dbraw/zinc/40/51/84/409405184.db2.gz BUFFCEZMEIFQKD-UHFFFAOYSA-N 2 1 273.377 -1.173 20 0 CAADMP C[NH+]1CCN(C(=O)CC[N@@H+](CCO)CCCO)CC1 ZINC000338310792 409405187 /nfs/dbraw/zinc/40/51/87/409405187.db2.gz BUFFCEZMEIFQKD-UHFFFAOYSA-N 2 1 273.377 -1.173 20 0 CAADMP CCOCCNC(=O)C[N@H+](C)CCN1CC[NH2+]CC1 ZINC000647835624 409412529 /nfs/dbraw/zinc/41/25/29/409412529.db2.gz FWFDEROOHZAWFH-UHFFFAOYSA-N 2 1 272.393 -1.024 20 0 CAADMP CCOCCNC(=O)C[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000647835624 409412533 /nfs/dbraw/zinc/41/25/33/409412533.db2.gz FWFDEROOHZAWFH-UHFFFAOYSA-N 2 1 272.393 -1.024 20 0 CAADMP Cn1c2ncn(CC[N@@H+](C)CCC[NH3+])c2c(=O)n(C)c1=O ZINC000647848204 409413148 /nfs/dbraw/zinc/41/31/48/409413148.db2.gz KUWDEYBTOVWXAW-UHFFFAOYSA-N 2 1 294.359 -1.286 20 0 CAADMP C[NH+](C)CCN1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1=O ZINC000652734744 409417915 /nfs/dbraw/zinc/41/79/15/409417915.db2.gz UXQOYTZXLBEWOW-GFCCVEGCSA-N 2 1 298.387 -1.451 20 0 CAADMP C[NH+](C)CCN1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1=O ZINC000652734744 409417921 /nfs/dbraw/zinc/41/79/21/409417921.db2.gz UXQOYTZXLBEWOW-GFCCVEGCSA-N 2 1 298.387 -1.451 20 0 CAADMP COCC[N@@H+](C)CCNC(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000351527340 409450853 /nfs/dbraw/zinc/45/08/53/409450853.db2.gz ZSISMAMOXJOUIA-NSHDSACASA-N 2 1 286.376 -1.451 20 0 CAADMP O=C([C@H]1[C@@H]2C[NH2+]C[C@@H]21)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000648110693 409466474 /nfs/dbraw/zinc/46/64/74/409466474.db2.gz FAXJKGKXIYKTLR-CIQGVGRVSA-N 2 1 292.383 -1.125 20 0 CAADMP C[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001195677863 782011796 /nfs/dbraw/zinc/01/17/96/782011796.db2.gz VTQBAOREZTWJFV-QJPTWQEYSA-N 2 1 285.388 -1.130 20 0 CAADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)C1 ZINC000659738126 409473658 /nfs/dbraw/zinc/47/36/58/409473658.db2.gz AGGABRZXPDWZNY-NEPJUHHUSA-N 2 1 298.387 -1.227 20 0 CAADMP C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CC[NH2+]CC3)C[C@@H]21 ZINC000423627997 409480079 /nfs/dbraw/zinc/48/00/79/409480079.db2.gz VPBKJXFRJRPQJG-MNOVXSKESA-N 2 1 266.345 -1.419 20 0 CAADMP COCC[N@@H+](C)CCNC(=O)C(=O)N1CC2CC1(C[NH3+])C2 ZINC000659695930 409563299 /nfs/dbraw/zinc/56/32/99/409563299.db2.gz HPEUJFGAVFLMHY-UHFFFAOYSA-N 2 1 298.387 -1.370 20 0 CAADMP C[C@H](NC(=O)C(=O)N[C@H]1CC[NH2+]C1)[C@H]1C[N@H+](C)CCO1 ZINC000659697766 409563859 /nfs/dbraw/zinc/56/38/59/409563859.db2.gz VIBTUBHNZYBZEE-GARJFASQSA-N 2 1 284.360 -1.700 20 0 CAADMP C[C@H](NC(=O)C(=O)N[C@H]1CC[NH2+]C1)[C@H]1C[N@@H+](C)CCO1 ZINC000659697766 409563868 /nfs/dbraw/zinc/56/38/68/409563868.db2.gz VIBTUBHNZYBZEE-GARJFASQSA-N 2 1 284.360 -1.700 20 0 CAADMP C[NH2+]C[C@H](C)NC(=O)C(=O)N[C@H](C)[C@H]1C[N@H+](C)CCO1 ZINC000659697707 409565024 /nfs/dbraw/zinc/56/50/24/409565024.db2.gz UGTLATITXNOEDV-HBNTYKKESA-N 2 1 286.376 -1.454 20 0 CAADMP C[NH2+]C[C@H](C)NC(=O)C(=O)N[C@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC000659697707 409565029 /nfs/dbraw/zinc/56/50/29/409565029.db2.gz UGTLATITXNOEDV-HBNTYKKESA-N 2 1 286.376 -1.454 20 0 CAADMP C[C@@H](NC(=O)C(=O)N(C)CCC[NH3+])[C@@H]1C[N@H+](C)CCO1 ZINC000659698445 409566252 /nfs/dbraw/zinc/56/62/52/409566252.db2.gz ZWMAJQAVFNYFBD-MNOVXSKESA-N 2 1 286.376 -1.371 20 0 CAADMP C[C@@H](NC(=O)C(=O)N(C)CCC[NH3+])[C@@H]1C[N@@H+](C)CCO1 ZINC000659698445 409566261 /nfs/dbraw/zinc/56/62/61/409566261.db2.gz ZWMAJQAVFNYFBD-MNOVXSKESA-N 2 1 286.376 -1.371 20 0 CAADMP COCC[N@@H+](C)C[C@@H](O)CN1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC000653829759 409498330 /nfs/dbraw/zinc/49/83/30/409498330.db2.gz VUZZTYSTMYHUCE-BFHYXJOUSA-N 2 1 287.404 -1.324 20 0 CAADMP COCC[NH+](C)C[C@@H](O)CN1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000653829759 409498335 /nfs/dbraw/zinc/49/83/35/409498335.db2.gz VUZZTYSTMYHUCE-BFHYXJOUSA-N 2 1 287.404 -1.324 20 0 CAADMP COCC[NH+](C)C[C@@H](O)CN1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000653829759 409498340 /nfs/dbraw/zinc/49/83/40/409498340.db2.gz VUZZTYSTMYHUCE-BFHYXJOUSA-N 2 1 287.404 -1.324 20 0 CAADMP C[NH+]1CCN(C(=O)CCN2CC[N@@H+]3C[C@H](O)C[C@H]3C2)CC1 ZINC000653829354 409498360 /nfs/dbraw/zinc/49/83/60/409498360.db2.gz KFFCQRWDIUNEEN-UONOGXRCSA-N 2 1 296.415 -1.099 20 0 CAADMP C[NH+]1CCN(C(=O)CCN2CC[N@H+]3C[C@H](O)C[C@H]3C2)CC1 ZINC000653829354 409498364 /nfs/dbraw/zinc/49/83/64/409498364.db2.gz KFFCQRWDIUNEEN-UONOGXRCSA-N 2 1 296.415 -1.099 20 0 CAADMP C[NH+]1CCN(C(=O)CCNC(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)CC1 ZINC000649292587 409507579 /nfs/dbraw/zinc/50/75/79/409507579.db2.gz RHZBMLHUARHHAU-PJXYFTJBSA-N 2 1 280.372 -1.268 20 0 CAADMP COCC[N@@H+](C)C[C@H](O)CN1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC000405414720 409512635 /nfs/dbraw/zinc/51/26/35/409512635.db2.gz VUZZTYSTMYHUCE-MJBXVCDLSA-N 2 1 287.404 -1.324 20 0 CAADMP COCC[NH+](C)C[C@H](O)CN1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000405414720 409512637 /nfs/dbraw/zinc/51/26/37/409512637.db2.gz VUZZTYSTMYHUCE-MJBXVCDLSA-N 2 1 287.404 -1.324 20 0 CAADMP COCC[NH+](C)C[C@H](O)CN1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000405414720 409512640 /nfs/dbraw/zinc/51/26/40/409512640.db2.gz VUZZTYSTMYHUCE-MJBXVCDLSA-N 2 1 287.404 -1.324 20 0 CAADMP O=C(NC[C@@H]1C[NH2+]CCCO1)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000655970899 409521719 /nfs/dbraw/zinc/52/17/19/409521719.db2.gz ZVXDOYLTNAERTL-XQQFMLRXSA-N 2 1 298.387 -1.175 20 0 CAADMP O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000655968546 409521937 /nfs/dbraw/zinc/52/19/37/409521937.db2.gz WAOWQWWSALLVFB-RNWYCLNJSA-N 2 1 266.345 -1.335 20 0 CAADMP [NH3+]C[C@H]1CCCN1C(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000656103905 409529104 /nfs/dbraw/zinc/52/91/04/409529104.db2.gz CNVYIFKRUMIDIG-GRYCIOLGSA-N 2 1 296.371 -1.787 20 0 CAADMP C[C@@H](C[NH3+])N(C)C(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000656104190 409529362 /nfs/dbraw/zinc/52/93/62/409529362.db2.gz JVYQWEPBEWVPTI-GARJFASQSA-N 2 1 284.360 -1.931 20 0 CAADMP C[NH2+][C@H]1CCN(C(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)C1 ZINC000656102799 409529905 /nfs/dbraw/zinc/52/99/05/409529905.db2.gz PAPMUGAVXHSWQN-SDDRHHMPSA-N 2 1 296.371 -1.916 20 0 CAADMP C[NH2+]CCCN(C)C(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000656104631 409530922 /nfs/dbraw/zinc/53/09/22/409530922.db2.gz SRUVKZOWWVRSIJ-NWDGAFQWSA-N 2 1 298.387 -1.668 20 0 CAADMP C[NH+](C)CC1(C(=O)N[C@@H]2C[N@H+](CCO)C[C@H]2O)CC1 ZINC001195677826 782012216 /nfs/dbraw/zinc/01/22/16/782012216.db2.gz UWZUKTZJUMFIOF-GHMZBOCLSA-N 2 1 271.361 -1.518 20 0 CAADMP C[NH+](C)CC1(C(=O)N[C@@H]2C[N@@H+](CCO)C[C@H]2O)CC1 ZINC001195677826 782012220 /nfs/dbraw/zinc/01/22/20/782012220.db2.gz UWZUKTZJUMFIOF-GHMZBOCLSA-N 2 1 271.361 -1.518 20 0 CAADMP [NH3+][C@H]1CCCN(C(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)C1 ZINC000656104676 409531567 /nfs/dbraw/zinc/53/15/67/409531567.db2.gz UQSJKCMLNYRKOQ-SDDRHHMPSA-N 2 1 296.371 -1.787 20 0 CAADMP C[NH2+][C@@H]1CCN(C(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)C1 ZINC000656102798 409531601 /nfs/dbraw/zinc/53/16/01/409531601.db2.gz PAPMUGAVXHSWQN-GRYCIOLGSA-N 2 1 296.371 -1.916 20 0 CAADMP C[C@@H]1CN(C(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)CC[NH2+]1 ZINC000656104108 409531658 /nfs/dbraw/zinc/53/16/58/409531658.db2.gz HMLVNZZQCDGFRC-GRYCIOLGSA-N 2 1 296.371 -1.916 20 0 CAADMP CC[NH+](CC)CC[C@@H](CO)Nc1nc(N)nc(N)[nH+]1 ZINC000624178883 409546012 /nfs/dbraw/zinc/54/60/12/409546012.db2.gz DINAARCNBMGGLE-QMMMGPOBSA-N 2 1 269.353 -1.377 20 0 CAADMP C[NH2+]C[C@H](C)NC(=O)C(=O)NCC[NH+]1CCSCC1 ZINC000659754155 409571673 /nfs/dbraw/zinc/57/16/73/409571673.db2.gz SSSNYZIXHDIDSX-JTQLQIEISA-N 2 1 288.417 -1.125 20 0 CAADMP C[NH2+]C[C@@H](C)NC(=O)C(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000659750270 409571993 /nfs/dbraw/zinc/57/19/93/409571993.db2.gz FRFJONMTVKZJEU-ZJUUUORDSA-N 2 1 256.350 -1.079 20 0 CAADMP C[NH2+]C[C@@H](C)NC(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000659756051 409572970 /nfs/dbraw/zinc/57/29/70/409572970.db2.gz PKSVTQRITJRHKC-OUAUKWLOSA-N 2 1 284.360 -2.012 20 0 CAADMP CO[C@@H]1C[NH+](C/C=C\C[N@H+]2C[C@@H](O)[C@H](OC)C2)C[C@H]1O ZINC000660735924 409581312 /nfs/dbraw/zinc/58/13/12/409581312.db2.gz MZOVDCXGKUATRG-UJESFUDVSA-N 2 1 286.372 -1.074 20 0 CAADMP C[NH+](C)CCN1CC[N@H+](C[C@H]2CNC(=O)C2)CC1=O ZINC000660913995 409581492 /nfs/dbraw/zinc/58/14/92/409581492.db2.gz RTOGFIJINLIQAR-LLVKDONJSA-N 2 1 268.361 -1.172 20 0 CAADMP C[NH+](C)CCN1CC[N@@H+](C[C@H]2CNC(=O)C2)CC1=O ZINC000660913995 409581500 /nfs/dbraw/zinc/58/15/00/409581500.db2.gz RTOGFIJINLIQAR-LLVKDONJSA-N 2 1 268.361 -1.172 20 0 CAADMP CNC(=O)[C@@H]1C[N@H+](C[C@H]2CCC3(C[NH2+]C3)O2)CCO1 ZINC000662281633 409587001 /nfs/dbraw/zinc/58/70/01/409587001.db2.gz YXLWCJNDURODDL-MNOVXSKESA-N 2 1 269.345 -1.046 20 0 CAADMP CNC(=O)[C@@H]1C[N@@H+](C[C@H]2CCC3(C[NH2+]C3)O2)CCO1 ZINC000662281633 409587006 /nfs/dbraw/zinc/58/70/06/409587006.db2.gz YXLWCJNDURODDL-MNOVXSKESA-N 2 1 269.345 -1.046 20 0 CAADMP CNC(=O)[C@@H]1C[N@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)CCO1 ZINC000662281635 409588010 /nfs/dbraw/zinc/58/80/10/409588010.db2.gz YXLWCJNDURODDL-QWRGUYRKSA-N 2 1 269.345 -1.046 20 0 CAADMP CNC(=O)[C@@H]1C[N@@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)CCO1 ZINC000662281635 409588016 /nfs/dbraw/zinc/58/80/16/409588016.db2.gz YXLWCJNDURODDL-QWRGUYRKSA-N 2 1 269.345 -1.046 20 0 CAADMP [NH3+]CCN(CC[N@H+]1C[C@H]2CC[C@@H](C1)O2)C[C@@H](O)CO ZINC000662289220 409589238 /nfs/dbraw/zinc/58/92/38/409589238.db2.gz YCYCEAOKXFYTFN-UPJWGTAASA-N 2 1 273.377 -1.537 20 0 CAADMP [NH3+]CCN(CC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)C[C@@H](O)CO ZINC000662289220 409589243 /nfs/dbraw/zinc/58/92/43/409589243.db2.gz YCYCEAOKXFYTFN-UPJWGTAASA-N 2 1 273.377 -1.537 20 0 CAADMP C[C@@H]1C[N@H+](CCN(CC[NH3+])C[C@H](O)CO)CCO1 ZINC000662288948 409590360 /nfs/dbraw/zinc/59/03/60/409590360.db2.gz WBOGTVQSONJUDO-NEPJUHHUSA-N 2 1 261.366 -1.679 20 0 CAADMP C[C@@H]1C[N@@H+](CCN(CC[NH3+])C[C@H](O)CO)CCO1 ZINC000662288948 409590366 /nfs/dbraw/zinc/59/03/66/409590366.db2.gz WBOGTVQSONJUDO-NEPJUHHUSA-N 2 1 261.366 -1.679 20 0 CAADMP C[NH+]1CCN(C(=O)CCN(CC[NH3+])C[C@H](O)CO)CC1 ZINC000662287972 409590688 /nfs/dbraw/zinc/59/06/88/409590688.db2.gz LDZFPFPDFLXDSX-LBPRGKRZSA-N 2 1 288.392 -2.236 20 0 CAADMP CO[C@@H]1CS(=O)(=O)[C@H]2C[N@H+](CCOCC[NH3+])C[C@H]21 ZINC000662317365 409590783 /nfs/dbraw/zinc/59/07/83/409590783.db2.gz WXVAINLORCUDLN-AXFHLTTASA-N 2 1 278.374 -1.295 20 0 CAADMP CO[C@@H]1CS(=O)(=O)[C@H]2C[N@@H+](CCOCC[NH3+])C[C@H]21 ZINC000662317365 409590788 /nfs/dbraw/zinc/59/07/88/409590788.db2.gz WXVAINLORCUDLN-AXFHLTTASA-N 2 1 278.374 -1.295 20 0 CAADMP C[C@@H](CNC(=O)c1cn(CC[NH3+])nn1)C[NH+]1CCOCC1 ZINC000662467228 409596000 /nfs/dbraw/zinc/59/60/00/409596000.db2.gz ADAYGXKLHILDLL-NSHDSACASA-N 2 1 296.375 -1.065 20 0 CAADMP C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)C2(O)C[NH2+]C2)CC1 ZINC000662792905 409607235 /nfs/dbraw/zinc/60/72/35/409607235.db2.gz YVHFTHFSNCBJET-CYBMUJFWSA-N 2 1 296.415 -1.051 20 0 CAADMP COCC[N@H+]1CCCN(C(=O)C2(O)C[NH2+]C2)CC1 ZINC000662787837 409608720 /nfs/dbraw/zinc/60/87/20/409608720.db2.gz TVPZYIOTXXEZIT-UHFFFAOYSA-N 2 1 257.334 -1.499 20 0 CAADMP Cc1ccc(NCCCNC(=O)C(=O)NC2C[NH2+]C2)[nH+]c1 ZINC000580053889 409703700 /nfs/dbraw/zinc/70/37/00/409703700.db2.gz BNXHKUAJQWBBCO-UHFFFAOYSA-N 2 1 291.355 -0.604 20 0 CAADMP C[NH2+]C[C@@H](O)C[NH2+]CCC(=O)Nc1cc(C)on1 ZINC000647526574 409662488 /nfs/dbraw/zinc/66/24/88/409662488.db2.gz KMHIEKIINLDYBA-SECBINFHSA-N 2 1 256.306 -0.518 20 0 CAADMP C[C@@H](O)C[N@@H+]1CCN(C(=O)[C@H]2C[C@@H](O)C[NH2+]2)C[C@H]1C ZINC000479275070 287093429 /nfs/dbraw/zinc/09/34/29/287093429.db2.gz HNYXOPDKBZOINV-DDHJBXDOSA-N 2 1 271.361 -1.377 20 0 CAADMP C[C@@H](O)C[N@H+]1CCN(C(=O)[C@H]2C[C@@H](O)C[NH2+]2)C[C@H]1C ZINC000479275070 287093432 /nfs/dbraw/zinc/09/34/32/287093432.db2.gz HNYXOPDKBZOINV-DDHJBXDOSA-N 2 1 271.361 -1.377 20 0 CAADMP C[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001195702082 782014472 /nfs/dbraw/zinc/01/44/72/782014472.db2.gz XARGVPHWKAVPLM-QJPTWQEYSA-N 2 1 273.377 -1.130 20 0 CAADMP COCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001195859667 782018429 /nfs/dbraw/zinc/01/84/29/782018429.db2.gz NADVSTDUSFDHPB-GHMZBOCLSA-N 2 1 259.350 -1.254 20 0 CAADMP C[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CCCO)C[C@H]1O ZINC001195870669 782018662 /nfs/dbraw/zinc/01/86/62/782018662.db2.gz JNTSDMUUDMZFQO-GHMZBOCLSA-N 2 1 259.350 -1.518 20 0 CAADMP COC[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001195860396 782019025 /nfs/dbraw/zinc/01/90/25/782019025.db2.gz XHCNIVRCJUQFFI-IJLUTSLNSA-N 2 1 289.376 -1.893 20 0 CAADMP C[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1O ZINC001195860388 782019476 /nfs/dbraw/zinc/01/94/76/782019476.db2.gz WVYYDSQLPBJHJN-VXGBXAGGSA-N 2 1 289.376 -1.892 20 0 CAADMP C[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001195860335 782019868 /nfs/dbraw/zinc/01/98/68/782019868.db2.gz VWNMJLUHVFPREX-GMTAPVOTSA-N 2 1 259.350 -1.520 20 0 CAADMP C[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CCn2cccn2)C[C@H]1O ZINC001195860518 782020008 /nfs/dbraw/zinc/02/00/08/782020008.db2.gz YDSTVYZJPXZAJC-CHWSQXEVSA-N 2 1 295.387 -1.004 20 0 CAADMP Cc1cccc(NCCNC(=O)CNC(=O)C[NH3+])[nH+]1 ZINC000347627578 226203399 /nfs/dbraw/zinc/20/33/99/226203399.db2.gz VTBZGGYPJFMBHZ-UHFFFAOYSA-N 2 1 265.317 -1.007 20 0 CAADMP CN(C(=O)CNC(=O)C[NH3+])[C@@H]1CC[N@H+](C2CC2)C1 ZINC000347660911 226229159 /nfs/dbraw/zinc/22/91/59/226229159.db2.gz UIKRKGGNCWDBBB-SNVBAGLBSA-N 2 1 254.334 -1.244 20 0 CAADMP C[C@@H](O)C[N@H+]1CCN(C(=O)[C@@H]2C[NH2+]CCO2)C[C@@H]1C ZINC000167992086 533682013 /nfs/dbraw/zinc/68/20/13/533682013.db2.gz LGMNDKZYDVBLJE-TUAOUCFPSA-N 2 1 271.361 -1.112 20 0 CAADMP C[C@@H](O)C[N@@H+]1CCN(C(=O)[C@@H]2C[NH2+]CCO2)C[C@@H]1C ZINC000167992086 533682004 /nfs/dbraw/zinc/68/20/04/533682004.db2.gz LGMNDKZYDVBLJE-TUAOUCFPSA-N 2 1 271.361 -1.112 20 0 CAADMP C[C@H]1OCC[NH2+][C@@H]1C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000261938445 230222203 /nfs/dbraw/zinc/22/22/03/230222203.db2.gz MOBZKKXAFWSFEK-WOPDTQHZSA-N 2 1 298.387 -1.323 20 0 CAADMP O=C(CC[N@@H+]1CCO[C@H](CO)C1)N1CC[NH2+]CC1 ZINC000262138879 230223427 /nfs/dbraw/zinc/22/34/27/230223427.db2.gz OMUHNYGRHNUGAN-NSHDSACASA-N 2 1 257.334 -1.499 20 0 CAADMP O=C(CC[N@H+]1CCO[C@H](CO)C1)N1CC[NH2+]CC1 ZINC000262138879 230223434 /nfs/dbraw/zinc/22/34/34/230223434.db2.gz OMUHNYGRHNUGAN-NSHDSACASA-N 2 1 257.334 -1.499 20 0 CAADMP COCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CC[NH2+]C[C@@H]2C)C1 ZINC000419727458 230253420 /nfs/dbraw/zinc/25/34/20/230253420.db2.gz LJGVKCWLMLQHDC-RYUDHWBXSA-N 2 1 298.387 -1.356 20 0 CAADMP COCC[N@@H+](C)CCNC(=O)C(=O)N1CC[NH2+]C[C@H]1C ZINC000419358708 230254401 /nfs/dbraw/zinc/25/44/01/230254401.db2.gz PQWFCRUCSBRLEJ-LLVKDONJSA-N 2 1 286.376 -1.499 20 0 CAADMP C[C@H]1CCC[N@@H+](CCNC(=O)C(=O)NCC[NH3+])C1 ZINC000419418194 230254555 /nfs/dbraw/zinc/25/45/55/230254555.db2.gz XZBAFFZMWUBRAF-JTQLQIEISA-N 2 1 256.350 -1.091 20 0 CAADMP COCC[N@@H+](C)CCNC(=O)C(=O)N1CC[NH2+]C[C@@H]1C ZINC000419358714 230255194 /nfs/dbraw/zinc/25/51/94/230255194.db2.gz PQWFCRUCSBRLEJ-NSHDSACASA-N 2 1 286.376 -1.499 20 0 CAADMP C[C@@H]1CCC[N@@H+](CCNC(=O)C(=O)NCC[NH3+])C1 ZINC000419418197 230255263 /nfs/dbraw/zinc/25/52/63/230255263.db2.gz XZBAFFZMWUBRAF-SNVBAGLBSA-N 2 1 256.350 -1.091 20 0 CAADMP COCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CC[NH2+][C@@H](C)C2)C1 ZINC000419734625 230256608 /nfs/dbraw/zinc/25/66/08/230256608.db2.gz VNPRKGQWAXNLPF-RYUDHWBXSA-N 2 1 298.387 -1.356 20 0 CAADMP C[NH+](C)C[C@H]1CN(C(=O)[C@@H]2COCC[NH2+]2)CCO1 ZINC000424181434 230279343 /nfs/dbraw/zinc/27/93/43/230279343.db2.gz RGCHGULVLJCSFZ-QWRGUYRKSA-N 2 1 257.334 -1.236 20 0 CAADMP C[C@H]1OCC[NH2+][C@@H]1C(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000424189277 230281164 /nfs/dbraw/zinc/28/11/64/230281164.db2.gz KHAPPRKLBCVTEU-VWYCJHECSA-N 2 1 256.350 -1.617 20 0 CAADMP NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)C[C@H]1C[NH2+]CCO1 ZINC000430900290 230310599 /nfs/dbraw/zinc/31/05/99/230310599.db2.gz PGUWBFPIHDYCCH-RYUDHWBXSA-N 2 1 298.387 -1.179 20 0 CAADMP C[C@@H](O)C[N@@H+]1CCN(C(=O)[C@H]2C[C@H](O)C[NH2+]2)C[C@@H]1C ZINC000432517794 230315172 /nfs/dbraw/zinc/31/51/72/230315172.db2.gz HNYXOPDKBZOINV-WHOHXGKFSA-N 2 1 271.361 -1.377 20 0 CAADMP C[C@@H](O)C[N@H+]1CCN(C(=O)[C@H]2C[C@H](O)C[NH2+]2)C[C@@H]1C ZINC000432517794 230315174 /nfs/dbraw/zinc/31/51/74/230315174.db2.gz HNYXOPDKBZOINV-WHOHXGKFSA-N 2 1 271.361 -1.377 20 0 CAADMP O[C@@H]1C[N@@H+](CCCCC[NH+]2C[C@H](O)[C@@H](O)C2)C[C@@H]1O ZINC000444710249 230336741 /nfs/dbraw/zinc/33/67/41/230336741.db2.gz USGZRCGDMMGZDG-ZDEQEGDKSA-N 2 1 274.361 -1.769 20 0 CAADMP [NH3+]CCCn1cc(C(=O)NCC(F)(F)C[NH3+])nn1 ZINC000517933990 260320406 /nfs/dbraw/zinc/32/04/06/260320406.db2.gz MXWWXWVZBJMJSE-UHFFFAOYSA-N 2 1 262.264 -1.049 20 0 CAADMP C[NH+](C)[C@H]1CN(CC(=O)N2CC[NH+](C)CC2)C[C@@H]1O ZINC000519176530 265352744 /nfs/dbraw/zinc/35/27/44/265352744.db2.gz AOGKPCYLYFOSGL-RYUDHWBXSA-N 2 1 270.377 -1.633 20 0 CAADMP C[C@@H](CC(=O)N[C@@H]1CN(CCO)C[C@H]1O)n1ccnc1 ZINC001196501402 782038620 /nfs/dbraw/zinc/03/86/20/782038620.db2.gz YOOLGOVXORHWBE-QJPTWQEYSA-N 2 1 282.344 -1.012 20 0 CAADMP CNC(=O)[C@H]1C[N@H+](CCC(=O)N2CC[NH2+]CC2)CCO1 ZINC000517031576 269088664 /nfs/dbraw/zinc/08/86/64/269088664.db2.gz NTPYGQFNLRMBMG-LLVKDONJSA-N 2 1 284.360 -1.745 20 0 CAADMP CNC(=O)[C@H]1C[N@@H+](CCC(=O)N2CC[NH2+]CC2)CCO1 ZINC000517031576 269088665 /nfs/dbraw/zinc/08/86/65/269088665.db2.gz NTPYGQFNLRMBMG-LLVKDONJSA-N 2 1 284.360 -1.745 20 0 CAADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@H](O)[C@@H]([NH+](C)C)C2)O1 ZINC000527552744 269091744 /nfs/dbraw/zinc/09/17/44/269091744.db2.gz DSEAGJIYZPCXIA-NOOOWODRSA-N 2 1 271.361 -1.161 20 0 CAADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@H](O)[C@@H]([NH+](C)C)C2)O1 ZINC000527552744 269091745 /nfs/dbraw/zinc/09/17/45/269091745.db2.gz DSEAGJIYZPCXIA-NOOOWODRSA-N 2 1 271.361 -1.161 20 0 CAADMP COCC[N@H+]1CC[C@H](NC(=O)NC[C@H]2COCC[NH2+]2)C1 ZINC000529310633 269092202 /nfs/dbraw/zinc/09/22/02/269092202.db2.gz RBLLUBYECSBQTR-RYUDHWBXSA-N 2 1 286.376 -1.005 20 0 CAADMP C[C@@H]1C[N@H+](CCO)CCN1C(=O)NC[C@H]1COCC[NH2+]1 ZINC000529387821 269093765 /nfs/dbraw/zinc/09/37/65/269093765.db2.gz MOBIDVQHSKGDIR-NEPJUHHUSA-N 2 1 286.376 -1.317 20 0 CAADMP C[C@@H]1C[N@@H+](CCO)CCN1C(=O)NC[C@H]1COCC[NH2+]1 ZINC000529387821 269093766 /nfs/dbraw/zinc/09/37/66/269093766.db2.gz MOBIDVQHSKGDIR-NEPJUHHUSA-N 2 1 286.376 -1.317 20 0 CAADMP CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001196953916 782043761 /nfs/dbraw/zinc/04/37/61/782043761.db2.gz KYDKEVCZKVABOY-VXGBXAGGSA-N 2 1 271.361 -1.110 20 0 CAADMP CC[N@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001196953916 782043770 /nfs/dbraw/zinc/04/37/70/782043770.db2.gz KYDKEVCZKVABOY-VXGBXAGGSA-N 2 1 271.361 -1.110 20 0 CAADMP CC[N@@H+](C)CCNC(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000351538005 276068944 /nfs/dbraw/zinc/06/89/44/276068944.db2.gz QHFUBMZMOFIITE-JTQLQIEISA-N 2 1 256.350 -1.078 20 0 CAADMP CC[N@@H+]1CCO[C@H](C(=O)N2CCN(C)C[C@H]2C[NH3+])C1 ZINC000515646040 276391485 /nfs/dbraw/zinc/39/14/85/276391485.db2.gz QFFAMILNAGJXPN-NEPJUHHUSA-N 2 1 270.377 -1.192 20 0 CAADMP CC[N@H+]1CCO[C@H](C(=O)N2CCN(C)C[C@H]2C[NH3+])C1 ZINC000515646040 276391486 /nfs/dbraw/zinc/39/14/86/276391486.db2.gz QFFAMILNAGJXPN-NEPJUHHUSA-N 2 1 270.377 -1.192 20 0 CAADMP C[NH2+]CC(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000430892147 277020687 /nfs/dbraw/zinc/02/06/87/277020687.db2.gz BEILOMMLZYINEU-SNVBAGLBSA-N 2 1 256.350 -1.091 20 0 CAADMP C[N@H+]1CC[C@H]2OCCN(C(=O)[C@H]3C[NH2+]CCO3)[C@H]2C1 ZINC000424186721 277179738 /nfs/dbraw/zinc/17/97/38/277179738.db2.gz TVUCXPWGTADKGH-QJPTWQEYSA-N 2 1 269.345 -1.094 20 0 CAADMP C[C@@H](O)C[N@@H+]1CCN(C(=O)[C@H]2C[C@@H](O)C[NH2+]2)C[C@@H]1C ZINC000479275078 278399740 /nfs/dbraw/zinc/39/97/40/278399740.db2.gz HNYXOPDKBZOINV-IRCOFANPSA-N 2 1 271.361 -1.377 20 0 CAADMP C[C@@H](O)C[N@H+]1CCN(C(=O)[C@H]2C[C@@H](O)C[NH2+]2)C[C@@H]1C ZINC000479275078 278399741 /nfs/dbraw/zinc/39/97/41/278399741.db2.gz HNYXOPDKBZOINV-IRCOFANPSA-N 2 1 271.361 -1.377 20 0 CAADMP CC[N@@H+](CCNC(=O)C(=O)N1CCO[C@H](C[NH3+])C1)C1CC1 ZINC000419509187 279190175 /nfs/dbraw/zinc/19/01/75/279190175.db2.gz DMERUFPAVPWTAX-GFCCVEGCSA-N 2 1 298.387 -1.227 20 0 CAADMP [NH3+][C@@H]1C[C@@H]1C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000424162639 279680643 /nfs/dbraw/zinc/68/06/43/279680643.db2.gz ZYYWTHXMZKUAOP-OUAUKWLOSA-N 2 1 266.345 -1.244 20 0 CAADMP CC[C@H]1CN(C(=O)CNC(=O)C[NH3+])CC[N@H+]1C[C@@H](C)O ZINC000262377408 281132612 /nfs/dbraw/zinc/13/26/12/281132612.db2.gz JVBSBXKLJORRDK-MNOVXSKESA-N 2 1 286.376 -1.635 20 0 CAADMP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)[C@H]([NH3+])CC(N)=O ZINC000094460198 288303676 /nfs/dbraw/zinc/30/36/76/288303676.db2.gz RGXAFLFTFANGJI-OPRDCNLKSA-N 2 1 254.334 -1.116 20 0 CAADMP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)[C@H]([NH3+])CC(N)=O ZINC000094460198 288303678 /nfs/dbraw/zinc/30/36/78/288303678.db2.gz RGXAFLFTFANGJI-OPRDCNLKSA-N 2 1 254.334 -1.116 20 0 CAADMP CN(C)C(=O)CC[NH+]1CCN(C(=O)[C@H]2C[NH2+]CCO2)CC1 ZINC000430800259 288945660 /nfs/dbraw/zinc/94/56/60/288945660.db2.gz QEPUYECAEFKMDB-GFCCVEGCSA-N 2 1 298.387 -1.403 20 0 CAADMP C[C@H](CNC(=O)[C@@H]1C[C@@H](O)C[NH2+]1)C[NH+]1CCOCC1 ZINC000357904756 289678202 /nfs/dbraw/zinc/67/82/02/289678202.db2.gz HJYRELJOYBNSAA-UTUOFQBUSA-N 2 1 271.361 -1.206 20 0 CAADMP C[C@H](O)C[N@@H+]1CCN(C(=O)[C@@H]2C[NH2+]CCO2)C[C@H]1C ZINC000246263999 290104957 /nfs/dbraw/zinc/10/49/57/290104957.db2.gz LGMNDKZYDVBLJE-WOPDTQHZSA-N 2 1 271.361 -1.112 20 0 CAADMP C[C@H](O)C[N@H+]1CCN(C(=O)[C@@H]2C[NH2+]CCO2)C[C@H]1C ZINC000246263999 290104960 /nfs/dbraw/zinc/10/49/60/290104960.db2.gz LGMNDKZYDVBLJE-WOPDTQHZSA-N 2 1 271.361 -1.112 20 0 CAADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CCCO)C[C@H]1O ZINC001197493207 782054658 /nfs/dbraw/zinc/05/46/58/782054658.db2.gz GKDDEWYHKDMIHR-VXGBXAGGSA-N 2 1 273.377 -1.128 20 0 CAADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CCCO)C[C@H]1O ZINC001197493207 782054666 /nfs/dbraw/zinc/05/46/66/782054666.db2.gz GKDDEWYHKDMIHR-VXGBXAGGSA-N 2 1 273.377 -1.128 20 0 CAADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CCCO)C[C@H]1O ZINC001197493207 782054669 /nfs/dbraw/zinc/05/46/69/782054669.db2.gz GKDDEWYHKDMIHR-VXGBXAGGSA-N 2 1 273.377 -1.128 20 0 CAADMP CC[N@H+]1C[C@@H](O)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001197826197 782059859 /nfs/dbraw/zinc/05/98/59/782059859.db2.gz QEQBOZDWVRPDKN-GHMZBOCLSA-N 2 1 259.350 -1.254 20 0 CAADMP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@@H+](CCCO)C[C@H]1O ZINC001197826422 782059975 /nfs/dbraw/zinc/05/99/75/782059975.db2.gz WRCHIMTWEUMPHT-VXGBXAGGSA-N 2 1 289.376 -1.892 20 0 CAADMP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CCCO)C[C@H]1O ZINC001198046411 782060819 /nfs/dbraw/zinc/06/08/19/782060819.db2.gz CSBIAXANEXPOES-VXGBXAGGSA-N 2 1 273.377 -1.128 20 0 CAADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](CCCO)C[C@H]1O ZINC001198046411 782060830 /nfs/dbraw/zinc/06/08/30/782060830.db2.gz CSBIAXANEXPOES-VXGBXAGGSA-N 2 1 273.377 -1.128 20 0 CAADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CCCO)C[C@H]1O ZINC001198046411 782060841 /nfs/dbraw/zinc/06/08/41/782060841.db2.gz CSBIAXANEXPOES-VXGBXAGGSA-N 2 1 273.377 -1.128 20 0 CAADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CCO)C[C@H]1O ZINC001198038209 782062731 /nfs/dbraw/zinc/06/27/31/782062731.db2.gz KMGLXDPQQJVBNN-VXGBXAGGSA-N 2 1 273.377 -1.128 20 0 CAADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CCO)C[C@H]1O ZINC001198038209 782062739 /nfs/dbraw/zinc/06/27/39/782062739.db2.gz KMGLXDPQQJVBNN-VXGBXAGGSA-N 2 1 273.377 -1.128 20 0 CAADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CCO)C[C@H]1O ZINC001198038209 782062748 /nfs/dbraw/zinc/06/27/48/782062748.db2.gz KMGLXDPQQJVBNN-VXGBXAGGSA-N 2 1 273.377 -1.128 20 0 CAADMP NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)[C@H]1C[NH2+]CCO1 ZINC000430904689 295111494 /nfs/dbraw/zinc/11/14/94/295111494.db2.gz UXAMRMHGVURGTK-WDEREUQCSA-N 2 1 284.360 -1.569 20 0 CAADMP NC(=O)[C@H]1CCC[N@H+]1CCCNC(=O)COC1C[NH2+]C1 ZINC000430889794 295152666 /nfs/dbraw/zinc/15/26/66/295152666.db2.gz MPYSIZSFDWELIE-LLVKDONJSA-N 2 1 284.360 -1.569 20 0 CAADMP NC(=O)[C@H]1CCC[N@H+]1CCCNC(=O)[C@@H]1C[NH2+]CCO1 ZINC000430904687 295153100 /nfs/dbraw/zinc/15/31/00/295153100.db2.gz UXAMRMHGVURGTK-MNOVXSKESA-N 2 1 284.360 -1.569 20 0 CAADMP NC(=O)[C@H]1CCC[N@H+]1CCCNC(=O)[C@H]1C[NH2+]CCO1 ZINC000430904686 295153544 /nfs/dbraw/zinc/15/35/44/295153544.db2.gz UXAMRMHGVURGTK-GHMZBOCLSA-N 2 1 284.360 -1.569 20 0 CAADMP NC(=O)NC(=O)CC[N@H+]1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000436056991 295226681 /nfs/dbraw/zinc/22/66/81/295226681.db2.gz XBSJKAGCIMJYOC-SNVBAGLBSA-N 2 1 299.375 -1.109 20 0 CAADMP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)CNC(=O)C[NH3+] ZINC000094459953 297092998 /nfs/dbraw/zinc/09/29/98/297092998.db2.gz NAPHPWVMYYANSS-NXEZZACHSA-N 2 1 254.334 -1.244 20 0 CAADMP NC(=O)NC(=O)CC[N@H+]1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000436056983 303372766 /nfs/dbraw/zinc/37/27/66/303372766.db2.gz XBSJKAGCIMJYOC-JTQLQIEISA-N 2 1 299.375 -1.109 20 0 CAADMP CC[N@H+]1CCCC[C@H]1C(=O)NCC[NH2+]CC(=O)NC(N)=O ZINC001152451971 782065854 /nfs/dbraw/zinc/06/58/54/782065854.db2.gz OIMRFXXOWYNGCE-JTQLQIEISA-N 2 1 299.375 -1.239 20 0 CAADMP CC[N@H+]1CCCC[C@@H]1C(=O)NCC[NH2+]CC(=O)NC(N)=O ZINC001152451972 782066290 /nfs/dbraw/zinc/06/62/90/782066290.db2.gz OIMRFXXOWYNGCE-SNVBAGLBSA-N 2 1 299.375 -1.239 20 0 CAADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CCCO)C[C@H]1O ZINC001199103998 782074334 /nfs/dbraw/zinc/07/43/34/782074334.db2.gz HWANIJFEHSNSFV-VXGBXAGGSA-N 2 1 273.377 -1.130 20 0 CAADMP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@H+](CCCO)C[C@H]1O ZINC001199103998 782074338 /nfs/dbraw/zinc/07/43/38/782074338.db2.gz HWANIJFEHSNSFV-VXGBXAGGSA-N 2 1 273.377 -1.130 20 0 CAADMP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CCCO)C[C@H]1O ZINC001199103998 782074342 /nfs/dbraw/zinc/07/43/42/782074342.db2.gz HWANIJFEHSNSFV-VXGBXAGGSA-N 2 1 273.377 -1.130 20 0 CAADMP [NH3+]C1(C(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)CC1 ZINC000583694252 329004618 /nfs/dbraw/zinc/00/46/18/329004618.db2.gz KPJYNXWQRHLESX-JTQLQIEISA-N 2 1 266.345 -1.100 20 0 CAADMP C[NH+](C)CCCN1C(=O)C[C@H]([NH2+]CC(N)=O)C1=O ZINC000563348064 328056482 /nfs/dbraw/zinc/05/64/82/328056482.db2.gz HAQYUEGVGBLEMI-QMMMGPOBSA-N 2 1 256.306 -1.860 20 0 CAADMP O=C(CC[N@@H+]1CC[C@@H]2OCCN[C@H]2C1)N1CC[NH2+]CC1 ZINC000571095197 328085230 /nfs/dbraw/zinc/08/52/30/328085230.db2.gz FYADONMOAWJGQJ-STQMWFEESA-N 2 1 282.388 -1.129 20 0 CAADMP O=C(CC[N@H+]1CC[C@@H]2OCCN[C@H]2C1)N1CC[NH2+]CC1 ZINC000571095197 328085231 /nfs/dbraw/zinc/08/52/31/328085231.db2.gz FYADONMOAWJGQJ-STQMWFEESA-N 2 1 282.388 -1.129 20 0 CAADMP COCC[N@@H+](C)CCNC(=O)c1cn(CCC[NH3+])nn1 ZINC000571279281 328096835 /nfs/dbraw/zinc/09/68/35/328096835.db2.gz DEDRTLGABJSKIV-UHFFFAOYSA-N 2 1 284.364 -1.065 20 0 CAADMP CNS(=O)(=O)C[C@H]1CCC[N@H+]1CCN1CC[NH2+]CC1 ZINC000571404733 328118984 /nfs/dbraw/zinc/11/89/84/328118984.db2.gz XMMKHIURJUTXAQ-GFCCVEGCSA-N 2 1 290.433 -1.095 20 0 CAADMP COCC[N@H+]1CC[C@H](NC(=O)C(=O)N(C)CCC[NH3+])C1 ZINC000571583013 328135222 /nfs/dbraw/zinc/13/52/22/328135222.db2.gz PWSZNGMSVJKJTG-NSHDSACASA-N 2 1 286.376 -1.370 20 0 CAADMP C[C@H]1OCC[NH2+][C@@H]1C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000565550595 326956121 /nfs/dbraw/zinc/95/61/21/326956121.db2.gz SJZPWKCFJAWDIP-ZNSHCXBVSA-N 2 1 282.344 -1.866 20 0 CAADMP CO[C@H](C[NH3+])C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000584171875 327056805 /nfs/dbraw/zinc/05/68/05/327056805.db2.gz KFIHGVPDFNJNKK-GHMZBOCLSA-N 2 1 284.360 -1.617 20 0 CAADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)NC2C[NH2+]C2)CC1 ZINC000569595357 327207667 /nfs/dbraw/zinc/20/76/67/327207667.db2.gz NPFMRHQEUCAAOT-UHFFFAOYSA-N 2 1 298.387 -1.356 20 0 CAADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)NC1C[NH2+]C1 ZINC000578865759 327352227 /nfs/dbraw/zinc/35/22/27/327352227.db2.gz OKWHBSJOROOYQD-LDYMZIIASA-N 2 1 266.345 -1.327 20 0 CAADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NC1C[NH2+]C1 ZINC000578865757 327352243 /nfs/dbraw/zinc/35/22/43/327352243.db2.gz OKWHBSJOROOYQD-KCJUWKMLSA-N 2 1 266.345 -1.327 20 0 CAADMP O[C@@H](C[NH2+]C[C@H](O)C[NH+]1CCCC1)CN1CCOCC1 ZINC000583694099 329004493 /nfs/dbraw/zinc/00/44/93/329004493.db2.gz WOIUQVUOBPMESD-KBPBESRZSA-N 2 1 287.404 -1.274 20 0 CAADMP O[C@H](C[NH2+]C[C@H](O)C[NH+]1CCCC1)CN1CCOCC1 ZINC000583694101 329004553 /nfs/dbraw/zinc/00/45/53/329004553.db2.gz WOIUQVUOBPMESD-UONOGXRCSA-N 2 1 287.404 -1.274 20 0 CAADMP C[C@@H]1C[N@H+](CCN2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)CCO1 ZINC000582796287 329208139 /nfs/dbraw/zinc/20/81/39/329208139.db2.gz BCFDZIOXTRDSDN-FRRDWIJNSA-N 2 1 282.388 -1.049 20 0 CAADMP C[C@@H]1C[N@@H+](CCN2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)CCO1 ZINC000582796287 329208141 /nfs/dbraw/zinc/20/81/41/329208141.db2.gz BCFDZIOXTRDSDN-FRRDWIJNSA-N 2 1 282.388 -1.049 20 0 CAADMP C[C@@H]1C[N@H+](CCN2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)CCO1 ZINC000582796288 329208305 /nfs/dbraw/zinc/20/83/05/329208305.db2.gz BCFDZIOXTRDSDN-JHJVBQTASA-N 2 1 282.388 -1.049 20 0 CAADMP C[C@@H]1C[N@@H+](CCN2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)CCO1 ZINC000582796288 329208306 /nfs/dbraw/zinc/20/83/06/329208306.db2.gz BCFDZIOXTRDSDN-JHJVBQTASA-N 2 1 282.388 -1.049 20 0 CAADMP C[C@H](CNC(=O)C(=O)N[C@H]1CC[NH2+]C1)C[NH+]1CCOCC1 ZINC000582856691 329281279 /nfs/dbraw/zinc/28/12/79/329281279.db2.gz QDFUXZFBCSJLEI-NEPJUHHUSA-N 2 1 298.387 -1.451 20 0 CAADMP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](CCOCC[NH3+])C1 ZINC000583084193 329312035 /nfs/dbraw/zinc/31/20/35/329312035.db2.gz BXGYGSZALNIBDJ-NSHDSACASA-N 3 1 258.366 -1.251 20 0 CAADMP O=C(NCC[NH+]1CCSCC1)C(=O)N[C@H]1CC[NH2+]C1 ZINC000583823633 329481313 /nfs/dbraw/zinc/48/13/13/329481313.db2.gz CSOKMWVRBWGPMK-JTQLQIEISA-N 2 1 286.401 -1.371 20 0 CAADMP CC[NH+]1CCN(C(=O)[C@H](C)N(C)C[C@@H](O)C[NH3+])CC1 ZINC000572528984 333383016 /nfs/dbraw/zinc/38/30/16/333383016.db2.gz DMCSSOJEDQLONK-RYUDHWBXSA-N 2 1 272.393 -1.210 20 0 CAADMP CC[NH+]1CCN(C(=O)[C@H](C)N(C)C[C@H](O)C[NH3+])CC1 ZINC000572528983 333383038 /nfs/dbraw/zinc/38/30/38/333383038.db2.gz DMCSSOJEDQLONK-NWDGAFQWSA-N 2 1 272.393 -1.210 20 0 CAADMP CO[C@H]1C[NH2+][C@@H](C(=O)NCCC[N@H+]2CCC[C@@H]2C(N)=O)C1 ZINC000575991214 335139389 /nfs/dbraw/zinc/13/93/89/335139389.db2.gz MZLAKWVQKQNQKJ-IJLUTSLNSA-N 2 1 298.387 -1.181 20 0 CAADMP CO[C@H]1C[NH2+][C@@H](C(=O)NCCC[N@H+]2CCC[C@H]2C(N)=O)C1 ZINC000575991215 335139396 /nfs/dbraw/zinc/13/93/96/335139396.db2.gz MZLAKWVQKQNQKJ-UTUOFQBUSA-N 2 1 298.387 -1.181 20 0 CAADMP CC(C)Nc1nc(N(C)[C@@H]2CC[NH2+]C2)nc(NCCO)[nH+]1 ZINC000576135687 335159578 /nfs/dbraw/zinc/15/95/78/335159578.db2.gz LJYYQWQGMFCPHG-SNVBAGLBSA-N 2 1 295.391 -1.262 20 0 CAADMP CC[N@H+]1CCC[C@H]1CNC(=O)C(=O)NC1C[NH2+]C1 ZINC000564310517 334051764 /nfs/dbraw/zinc/05/17/64/334051764.db2.gz CEUXPMHPGATPQZ-JTQLQIEISA-N 2 1 254.334 -1.325 20 0 CAADMP NC(=O)[C@@H]1CCC[NH+]1CCOCC[N@H+]1CCC[C@H]1C(N)=O ZINC000246944073 334272425 /nfs/dbraw/zinc/27/24/25/334272425.db2.gz HRPBSPIULOZDLT-RYUDHWBXSA-N 2 1 298.387 -1.098 20 0 CAADMP NC(=O)[C@@H]1CCC[NH+]1CCOCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000246944073 334272427 /nfs/dbraw/zinc/27/24/27/334272427.db2.gz HRPBSPIULOZDLT-RYUDHWBXSA-N 2 1 298.387 -1.098 20 0 CAADMP C[C@@H](NC(=O)[C@H]1C[N@H+](C)CCO1)C(=O)NCC[NH+](C)C ZINC000552077480 334286520 /nfs/dbraw/zinc/28/65/20/334286520.db2.gz MAAAFFNGWYNVTK-GHMZBOCLSA-N 2 1 286.376 -1.501 20 0 CAADMP C[C@@H](NC(=O)[C@H]1C[N@@H+](C)CCO1)C(=O)NCC[NH+](C)C ZINC000552077480 334286521 /nfs/dbraw/zinc/28/65/21/334286521.db2.gz MAAAFFNGWYNVTK-GHMZBOCLSA-N 2 1 286.376 -1.501 20 0 CAADMP C[C@H](NC(=O)[C@@H]1C[N@H+](C)CCO1)C(=O)NCC[NH+](C)C ZINC000552077482 334286546 /nfs/dbraw/zinc/28/65/46/334286546.db2.gz MAAAFFNGWYNVTK-QWRGUYRKSA-N 2 1 286.376 -1.501 20 0 CAADMP C[C@H](NC(=O)[C@@H]1C[N@@H+](C)CCO1)C(=O)NCC[NH+](C)C ZINC000552077482 334286548 /nfs/dbraw/zinc/28/65/48/334286548.db2.gz MAAAFFNGWYNVTK-QWRGUYRKSA-N 2 1 286.376 -1.501 20 0 CAADMP C[C@H](NC(=O)[C@H]1C[N@H+](C)CCO1)C(=O)NCC[NH+](C)C ZINC000552077483 334286690 /nfs/dbraw/zinc/28/66/90/334286690.db2.gz MAAAFFNGWYNVTK-WDEREUQCSA-N 2 1 286.376 -1.501 20 0 CAADMP C[C@H](NC(=O)[C@H]1C[N@@H+](C)CCO1)C(=O)NCC[NH+](C)C ZINC000552077483 334286692 /nfs/dbraw/zinc/28/66/92/334286692.db2.gz MAAAFFNGWYNVTK-WDEREUQCSA-N 2 1 286.376 -1.501 20 0 CAADMP [NH3+]CCC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000566207364 334635930 /nfs/dbraw/zinc/63/59/30/334635930.db2.gz COGNFCVUGRDTSE-UHFFFAOYSA-N 2 1 276.362 -2.219 20 0 CAADMP O=C(COC1C[NH2+]C1)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000573089220 334907194 /nfs/dbraw/zinc/90/71/94/334907194.db2.gz IKAWDJNLAXJLRL-NSHDSACASA-N 2 1 296.371 -1.602 20 0 CAADMP CC[N@@H+]1CCO[C@H](C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)C1 ZINC000576359985 335194546 /nfs/dbraw/zinc/19/45/46/335194546.db2.gz IAKKEKOSWJFQLV-SRVKXCTJSA-N 2 1 296.371 -1.523 20 0 CAADMP CC[N@H+]1CCO[C@H](C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)C1 ZINC000576359985 335194547 /nfs/dbraw/zinc/19/45/47/335194547.db2.gz IAKKEKOSWJFQLV-SRVKXCTJSA-N 2 1 296.371 -1.523 20 0 CAADMP C[C@@H]1CC[N@@H+](C)CCN1C(=O)C(=O)NC1C[NH2+]C1 ZINC000577356741 335341927 /nfs/dbraw/zinc/34/19/27/335341927.db2.gz BRUAZBNQAPSAIE-SECBINFHSA-N 2 1 254.334 -1.373 20 0 CAADMP O=C([C@H]1CC[NH2+]1)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000577394345 335347747 /nfs/dbraw/zinc/34/77/47/335347747.db2.gz YZCGRUKCFZSZIN-GHMZBOCLSA-N 2 1 266.345 -1.229 20 0 CAADMP COCC[N@H+](CCN1CC[NH2+]CC1)CC(=O)N(C)C ZINC000577611517 335377762 /nfs/dbraw/zinc/37/77/62/335377762.db2.gz FAUXPDKLYKFMEY-UHFFFAOYSA-N 2 1 272.393 -1.072 20 0 CAADMP COCC[N@@H+](CCN1CC[NH2+]CC1)CC(=O)N(C)C ZINC000577611517 335377763 /nfs/dbraw/zinc/37/77/63/335377763.db2.gz FAUXPDKLYKFMEY-UHFFFAOYSA-N 2 1 272.393 -1.072 20 0 CAADMP C[C@H]1CN(CCC(=O)N2CCNCC2)CC(=O)N1 ZINC000386929887 336182461 /nfs/dbraw/zinc/18/24/61/336182461.db2.gz RDJOOTWZLAOQFE-JTQLQIEISA-N 2 1 254.334 -1.371 20 0 CAADMP COC(=O)[C@@H](O)C[NH2+]CCC[NH+](CCO)CCO ZINC001252436224 782115483 /nfs/dbraw/zinc/11/54/83/782115483.db2.gz PSBLRTGAHHERAV-JTQLQIEISA-N 2 1 264.322 -2.213 20 0 CAADMP C[NH+](C)[C@@H](C(=O)N[C@@H]1[C@H]2C[N@H+](CC(N)=O)C[C@H]21)C1CC1 ZINC001114409438 782120215 /nfs/dbraw/zinc/12/02/15/782120215.db2.gz LDCHNAHIEHHZLJ-RSLMWUCJSA-N 2 1 280.372 -1.142 20 0 CAADMP C[NH+](C)[C@@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(N)=O)C[C@H]21)C1CC1 ZINC001114409438 782120221 /nfs/dbraw/zinc/12/02/21/782120221.db2.gz LDCHNAHIEHHZLJ-RSLMWUCJSA-N 2 1 280.372 -1.142 20 0 CAADMP CC[NH+]1CCO[C@H](C(=O)NCC[N@H+](C)CCO)C1 ZINC000899735126 582122304 /nfs/dbraw/zinc/12/23/04/582122304.db2.gz XPVDUFNRDYHECF-NSHDSACASA-N 2 1 259.350 -1.253 20 0 CAADMP CC[NH+]1CCO[C@H](C(=O)NCC[N@@H+](C)CCO)C1 ZINC000899735126 582122305 /nfs/dbraw/zinc/12/23/05/582122305.db2.gz XPVDUFNRDYHECF-NSHDSACASA-N 2 1 259.350 -1.253 20 0 CAADMP CC[N@@H+]1CCO[C@H](C(=O)NCC[NH+](C)CCO)C1 ZINC000899735126 582122300 /nfs/dbraw/zinc/12/23/00/582122300.db2.gz XPVDUFNRDYHECF-NSHDSACASA-N 2 1 259.350 -1.253 20 0 CAADMP CC[N@H+]1CCO[C@H](C(=O)NCC[NH+](C)CCO)C1 ZINC000899735126 582122302 /nfs/dbraw/zinc/12/23/02/582122302.db2.gz XPVDUFNRDYHECF-NSHDSACASA-N 2 1 259.350 -1.253 20 0 CAADMP C[C@@H](O)C[NH+]1CC2(C1)COCC(=O)N2CC[NH+](C)C ZINC001274047048 782132839 /nfs/dbraw/zinc/13/28/39/782132839.db2.gz LXMWIQPSGCPOSF-LLVKDONJSA-N 2 1 271.361 -1.158 20 0 CAADMP CNC(=O)C[N@@H+]1CC[C@@]2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001274073863 782135407 /nfs/dbraw/zinc/13/54/07/782135407.db2.gz QGJNAJBLTVWOCM-CQSZACIVSA-N 2 1 298.387 -1.403 20 0 CAADMP CNC(=O)C[N@H+]1CC[C@@]2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001274073863 782135410 /nfs/dbraw/zinc/13/54/10/782135410.db2.gz QGJNAJBLTVWOCM-CQSZACIVSA-N 2 1 298.387 -1.403 20 0 CAADMP CC[N@@H+]1CCO[C@H](C(=O)NC/C=C\C[NH2+][C@H](C)C(N)=O)C1 ZINC001274598721 782153583 /nfs/dbraw/zinc/15/35/83/782153583.db2.gz DHDDLLOMXFEPES-JYYSYOFASA-N 2 1 298.387 -1.157 20 0 CAADMP CC[N@H+]1CCO[C@H](C(=O)NC/C=C\C[NH2+][C@H](C)C(N)=O)C1 ZINC001274598721 782153588 /nfs/dbraw/zinc/15/35/88/782153588.db2.gz DHDDLLOMXFEPES-JYYSYOFASA-N 2 1 298.387 -1.157 20 0 CAADMP C[NH+](C)C[C@@H](CO)NC(=O)CC[NH+]1CCOCC1 ZINC000854467829 582234409 /nfs/dbraw/zinc/23/44/09/582234409.db2.gz YIDMJZWDSAWCNY-NSHDSACASA-N 2 1 259.350 -1.253 20 0 CAADMP C[C@H](C[NH3+])C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000262320548 534034582 /nfs/dbraw/zinc/03/45/82/534034582.db2.gz FBZJMAGEFOSWHO-SNVBAGLBSA-N 2 1 256.350 -1.139 20 0 CAADMP C[C@@H]1[C@@H](NC(=O)C(=O)N(C)[C@H]2C[NH2+]C[C@@H]2O)CCC[N@H+]1C ZINC000419542886 534241186 /nfs/dbraw/zinc/24/11/86/534241186.db2.gz FYLQHDDAPBODJL-RHYQMDGZSA-N 2 1 298.387 -1.624 20 0 CAADMP C[C@@H]([NH3+])C(=O)Nc1cnn(CC(=O)N2CC[NH+](C)CC2)c1 ZINC000261927090 534287123 /nfs/dbraw/zinc/28/71/23/534287123.db2.gz YKRDEPSIMFNXLE-SNVBAGLBSA-N 2 1 294.359 -1.057 20 0 CAADMP C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CC[N@@H+](C)[C@@H]3C2)CC[NH2+]1 ZINC000423693634 534290180 /nfs/dbraw/zinc/29/01/80/534290180.db2.gz FCOXBFKXYGNWAI-GRYCIOLGSA-N 2 1 280.372 -1.031 20 0 CAADMP CC(C)Nc1nc(N2CC([NH+](C)C)C2)nc(NCCO)[nH+]1 ZINC000340018661 519700032 /nfs/dbraw/zinc/70/00/32/519700032.db2.gz ZECGOQQQHWPLMM-UHFFFAOYSA-N 2 1 295.391 -1.310 20 0 CAADMP NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)[C@@H]2COCC[NH2+]2)C1 ZINC000430888948 534449592 /nfs/dbraw/zinc/44/95/92/534449592.db2.gz ZXTBJLSKKCDLNK-RYUDHWBXSA-N 2 1 298.387 -1.322 20 0 CAADMP NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)[C@@H]2COCC[NH2+]2)C1 ZINC000430888948 534449595 /nfs/dbraw/zinc/44/95/95/534449595.db2.gz ZXTBJLSKKCDLNK-RYUDHWBXSA-N 2 1 298.387 -1.322 20 0 CAADMP NC(=O)[C@H]1CCC[N@H+]1CCCNC(=O)C[C@@H]1C[NH2+]CCO1 ZINC000430900292 534454370 /nfs/dbraw/zinc/45/43/70/534454370.db2.gz PGUWBFPIHDYCCH-VXGBXAGGSA-N 2 1 298.387 -1.179 20 0 CAADMP NC(=O)[C@H]1CCC[N@H+]1CCCNC(=O)[C@H]1C[C@H]1[NH3+] ZINC000424152677 534455245 /nfs/dbraw/zinc/45/52/45/534455245.db2.gz IUBSXTBMVPRTQI-IVZWLZJFSA-N 2 1 254.334 -1.210 20 0 CAADMP O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)[C@@H]1C[NH2+]CCO1 ZINC000091668000 534601273 /nfs/dbraw/zinc/60/12/73/534601273.db2.gz ZYIVUGIDTLTXGV-UTUOFQBUSA-N 2 1 269.345 -1.046 20 0 CAADMP O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)[C@H]1COCC[NH2+]1 ZINC000252550284 534602464 /nfs/dbraw/zinc/60/24/64/534602464.db2.gz ONLJAMWXWXAIMC-QJPTWQEYSA-N 2 1 269.345 -1.046 20 0 CAADMP O=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)[C@H]1COCC[NH2+]1 ZINC000252550284 534602469 /nfs/dbraw/zinc/60/24/69/534602469.db2.gz ONLJAMWXWXAIMC-QJPTWQEYSA-N 2 1 269.345 -1.046 20 0 CAADMP O=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)[C@H]1C[NH2+]CCO1 ZINC000252566933 534602737 /nfs/dbraw/zinc/60/27/37/534602737.db2.gz ZYIVUGIDTLTXGV-QJPTWQEYSA-N 2 1 269.345 -1.046 20 0 CAADMP [NH3+]CCCOC1CC[NH+](CC(=O)N2CCNC(=O)C2)CC1 ZINC000430588301 534617117 /nfs/dbraw/zinc/61/71/17/534617117.db2.gz CZANXXGJBGXXNV-UHFFFAOYSA-N 2 1 298.387 -1.225 20 0 CAADMP [NH3+]CCNC(=O)C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000042489557 534629658 /nfs/dbraw/zinc/62/96/58/534629658.db2.gz CDBGVVOEPQNFBZ-UHFFFAOYSA-N 2 1 254.334 -1.385 20 0 CAADMP C[N@H+](CCN1CCOCC1)CC(=O)N1CC[NH2+]CC1 ZINC000038031524 522838283 /nfs/dbraw/zinc/83/82/83/522838283.db2.gz YMCYNKGBWJSWDN-UHFFFAOYSA-N 2 1 270.377 -1.318 20 0 CAADMP C[N@@H+](CCN1CCOCC1)CC(=O)N1CC[NH2+]CC1 ZINC000038031524 522838295 /nfs/dbraw/zinc/83/82/95/522838295.db2.gz YMCYNKGBWJSWDN-UHFFFAOYSA-N 2 1 270.377 -1.318 20 0 CAADMP C[C@@H](C(=O)NC(N)=O)[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000221175372 524156927 /nfs/dbraw/zinc/15/69/27/524156927.db2.gz FHEPOWHMIPZKDY-DTWKUNHWSA-N 2 1 285.348 -1.643 20 0 CAADMP C[C@H](O)C[N@@H+]1CCN(C(=O)[C@@H]2C[NH2+]CCO2)C[C@@H]1C ZINC000246263987 525758032 /nfs/dbraw/zinc/75/80/32/525758032.db2.gz LGMNDKZYDVBLJE-SRVKXCTJSA-N 2 1 271.361 -1.112 20 0 CAADMP C[C@H](O)C[N@H+]1CCN(C(=O)[C@@H]2C[NH2+]CCO2)C[C@@H]1C ZINC000246263987 525758036 /nfs/dbraw/zinc/75/80/36/525758036.db2.gz LGMNDKZYDVBLJE-SRVKXCTJSA-N 2 1 271.361 -1.112 20 0 CAADMP O=C(NCC[NH+]1CCSCC1)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000226389993 526321835 /nfs/dbraw/zinc/32/18/35/526321835.db2.gz SFPJLVHRVPLTOF-UWVGGRQHSA-N 2 1 259.375 -1.126 20 0 CAADMP O=C(NCC[NH+]1CCSCC1)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000226389987 526321972 /nfs/dbraw/zinc/32/19/72/526321972.db2.gz SFPJLVHRVPLTOF-ZJUUUORDSA-N 2 1 259.375 -1.126 20 0 CAADMP CC[N@@H+]1CCO[C@@H](C(=O)N(C)CC(=O)N2CC[NH2+]CC2)C1 ZINC000428210488 527723749 /nfs/dbraw/zinc/72/37/49/527723749.db2.gz TXRRFDRWVGAGRI-GFCCVEGCSA-N 2 1 298.387 -1.403 20 0 CAADMP CC[N@H+]1CCO[C@@H](C(=O)N(C)CC(=O)N2CC[NH2+]CC2)C1 ZINC000428210488 527723756 /nfs/dbraw/zinc/72/37/56/527723756.db2.gz TXRRFDRWVGAGRI-GFCCVEGCSA-N 2 1 298.387 -1.403 20 0 CAADMP CC[N@@H+]1CCO[C@H](C(=O)N(C)CC(=O)N2CC[NH2+]CC2)C1 ZINC000428210493 527731756 /nfs/dbraw/zinc/73/17/56/527731756.db2.gz TXRRFDRWVGAGRI-LBPRGKRZSA-N 2 1 298.387 -1.403 20 0 CAADMP CC[N@H+]1CCO[C@H](C(=O)N(C)CC(=O)N2CC[NH2+]CC2)C1 ZINC000428210493 527731761 /nfs/dbraw/zinc/73/17/61/527731761.db2.gz TXRRFDRWVGAGRI-LBPRGKRZSA-N 2 1 298.387 -1.403 20 0 CAADMP CC[N@@H+]1CCO[C@H](C(=O)NCCN2CC[NH2+]CC2)C1 ZINC000125786785 527735231 /nfs/dbraw/zinc/73/52/31/527735231.db2.gz WPDLGEHQYIRGLM-LBPRGKRZSA-N 2 1 270.377 -1.272 20 0 CAADMP CC[N@H+]1CCO[C@H](C(=O)NCCN2CC[NH2+]CC2)C1 ZINC000125786785 527735234 /nfs/dbraw/zinc/73/52/34/527735234.db2.gz WPDLGEHQYIRGLM-LBPRGKRZSA-N 2 1 270.377 -1.272 20 0 CAADMP CC(C)[NH+]1CCN(C(=O)C(=O)N2CCO[C@H](C[NH3+])C2)CC1 ZINC000423699358 529031849 /nfs/dbraw/zinc/03/18/49/529031849.db2.gz PKXMFBHKJYAPFI-GFCCVEGCSA-N 2 1 298.387 -1.275 20 0 CAADMP CC[NH+]1CCN(C(=O)[C@H](C)N(C)[C@H]2C[NH2+]C[C@@H]2O)CC1 ZINC000420345816 529132853 /nfs/dbraw/zinc/13/28/53/529132853.db2.gz BJAXSILDTZNCLD-AVGNSLFASA-N 2 1 284.404 -1.197 20 0 CAADMP CC[NH+]1CCN(CCNC(=O)[C@@H]2COCC[NH2+]2)CC1 ZINC000431003962 529145717 /nfs/dbraw/zinc/14/57/17/529145717.db2.gz DSPULNHHMBIPLW-LBPRGKRZSA-N 2 1 270.377 -1.272 20 0 CAADMP CC[NH+]1CCN(CCNC(=O)[C@H]2COCC[NH2+]2)CC1 ZINC000431003959 529145963 /nfs/dbraw/zinc/14/59/63/529145963.db2.gz DSPULNHHMBIPLW-GFCCVEGCSA-N 2 1 270.377 -1.272 20 0 CAADMP O=C(NC[C@@H]1C[N@H+]2CCN1CCC2)[C@@H]1C[NH2+]CCO1 ZINC000394388938 545498320 /nfs/dbraw/zinc/49/83/20/545498320.db2.gz NRHBYZPUXJONOH-NEPJUHHUSA-N 2 1 268.361 -1.519 20 0 CAADMP O=C(C[C@H]1C[NH2+]CCO1)NC[C@H]1C[N@H+]2CCN1CCC2 ZINC000394384412 545498376 /nfs/dbraw/zinc/49/83/76/545498376.db2.gz JFEZCQBGOIUGMG-STQMWFEESA-N 2 1 282.388 -1.129 20 0 CAADMP O=C(C[C@@H]1C[NH2+]CCO1)NC[C@H]1C[N@H+]2CCN1CCC2 ZINC000394384411 545498429 /nfs/dbraw/zinc/49/84/29/545498429.db2.gz JFEZCQBGOIUGMG-QWHCGFSZSA-N 2 1 282.388 -1.129 20 0 CAADMP COCC[NH2+]CC(=O)NC[C@@H]1C[N@H+]2CCN1CCC2 ZINC000394371542 545498183 /nfs/dbraw/zinc/49/81/83/545498183.db2.gz DXGLOZJPNDWCPD-GFCCVEGCSA-N 2 1 270.377 -1.272 20 0 CAADMP O=C(C[C@H]1COCC[NH2+]1)NC[C@@H]1C[N@H+]2CCN1CCC2 ZINC000394391813 545498677 /nfs/dbraw/zinc/49/86/77/545498677.db2.gz MBUNFQDMCVQUFD-QWHCGFSZSA-N 2 1 282.388 -1.129 20 0 CAADMP C[N@H+]1CCC[C@@H](NC(=O)C(=O)NC[C@H]2COCC[NH2+]2)C1 ZINC000627476001 545526484 /nfs/dbraw/zinc/52/64/84/545526484.db2.gz YEDAKIGTAUBQFA-MNOVXSKESA-N 2 1 284.360 -1.699 20 0 CAADMP C[N@H+]1CCC[C@H]1CC[NH+]1C[C@H](C(N)=O)[C@H](C(N)=O)C1 ZINC000639843807 545540741 /nfs/dbraw/zinc/54/07/41/545540741.db2.gz GYORPHAOXAXZDT-GARJFASQSA-N 2 1 268.361 -1.011 20 0 CAADMP C[NH+]1CCC[C@H]1CC[N@@H+]1C[C@H](C(N)=O)[C@H](C(N)=O)C1 ZINC000639843807 545540744 /nfs/dbraw/zinc/54/07/44/545540744.db2.gz GYORPHAOXAXZDT-GARJFASQSA-N 2 1 268.361 -1.011 20 0 CAADMP C[NH+]1CCC[C@H]1CC[N@H+]1C[C@H](C(N)=O)[C@H](C(N)=O)C1 ZINC000639843807 545540748 /nfs/dbraw/zinc/54/07/48/545540748.db2.gz GYORPHAOXAXZDT-GARJFASQSA-N 2 1 268.361 -1.011 20 0 CAADMP C[N@H+]1CCC[C@@H]1CC[NH+]1C[C@H](C(N)=O)[C@@H](C(N)=O)C1 ZINC000639843813 545541079 /nfs/dbraw/zinc/54/10/79/545541079.db2.gz GYORPHAOXAXZDT-VWYCJHECSA-N 2 1 268.361 -1.011 20 0 CAADMP [NH3+]CC(=O)NCC(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000645953138 545554798 /nfs/dbraw/zinc/55/47/98/545554798.db2.gz DINQYBTVLUYDIR-SNVBAGLBSA-N 2 1 254.334 -1.338 20 0 CAADMP OCC[N@@H+](CCN1CC[NH2+]CC1)CCN1CCOCC1 ZINC000649411779 545562978 /nfs/dbraw/zinc/56/29/78/545562978.db2.gz BATOHDWPNSDDGE-UHFFFAOYSA-N 2 1 286.420 -1.482 20 0 CAADMP C[NH+]1CCN(C(=O)CCNC(=O)[C@@H]2CCO[C@H]2C[NH3+])CC1 ZINC000662680490 545577069 /nfs/dbraw/zinc/57/70/69/545577069.db2.gz ZSGKBEYKLGWIOK-NEPJUHHUSA-N 2 1 298.387 -1.370 20 0 CAADMP O=C(N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)C1(O)C[NH2+]C1 ZINC000662718012 545577954 /nfs/dbraw/zinc/57/79/54/545577954.db2.gz VCKXTXNCVDOINV-QWRGUYRKSA-N 2 1 269.345 -1.622 20 0 CAADMP COCC[N@H+]1CCC[C@H]1CNC(=O)C1(O)C[NH2+]C1 ZINC000662710241 545578040 /nfs/dbraw/zinc/57/80/40/545578040.db2.gz GEVFMNZTVHPZGJ-JTQLQIEISA-N 2 1 257.334 -1.452 20 0 CAADMP O=C(NC[C@@H]1C[N@H+]2CCN1CCC2)[C@]12C[NH2+]C[C@H]1COC2 ZINC000662909254 545581203 /nfs/dbraw/zinc/58/12/03/545581203.db2.gz YWBYPGXTNKTGEK-GUTXKFCHSA-N 2 1 294.399 -1.272 20 0 CAADMP CNC(=O)C[NH2+]C[C@H](C)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001275445987 782171111 /nfs/dbraw/zinc/17/11/11/782171111.db2.gz UXVJOZMULIZGFC-UWVGGRQHSA-N 2 1 256.350 -1.222 20 0 CAADMP CNC(=O)C[NH2+]C[C@H](C)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001275445990 782171451 /nfs/dbraw/zinc/17/14/51/782171451.db2.gz UXVJOZMULIZGFC-VHSXEESVSA-N 2 1 256.350 -1.222 20 0 CAADMP COCC[N@@H+](C)CCNC(=O)CNC(=O)[C@@H]([NH3+])C(C)C ZINC000126315462 582110217 /nfs/dbraw/zinc/11/02/17/582110217.db2.gz UGGUNPOCRIXKME-LBPRGKRZSA-N 2 1 288.392 -1.220 20 0 CAADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000891539726 582110240 /nfs/dbraw/zinc/11/02/40/582110240.db2.gz DKGRQGIKQHDIAH-SDDRHHMPSA-N 2 1 267.377 -1.012 20 0 CAADMP O=C(NCC[N@@H+]1CC[C@@H](O)C1)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000899145520 582120390 /nfs/dbraw/zinc/12/03/90/582120390.db2.gz LORCZFAHLCUCPI-CHWSQXEVSA-N 2 1 283.372 -1.110 20 0 CAADMP C[C@@H](C[NH+]1CCOCC1)C(=O)NCC[N@@H+](C)CCO ZINC000899736464 582122258 /nfs/dbraw/zinc/12/22/58/582122258.db2.gz GJJSDXGSRPRYFL-LBPRGKRZSA-N 2 1 273.377 -1.005 20 0 CAADMP C[N@@H+]1CC[C@](O)(CNC(=O)CC[NH+]2CCOCC2)C1 ZINC000762720027 582148266 /nfs/dbraw/zinc/14/82/66/582148266.db2.gz UBWKRXYMQQSWJX-ZDUSSCGKSA-N 2 1 271.361 -1.109 20 0 CAADMP C[N@H+]1CC[C@](O)(CNC(=O)CC[NH+]2CCOCC2)C1 ZINC000762720027 582148267 /nfs/dbraw/zinc/14/82/67/582148267.db2.gz UBWKRXYMQQSWJX-ZDUSSCGKSA-N 2 1 271.361 -1.109 20 0 CAADMP C[NH+]1CCC(C[N@H+]2CCN3C(=O)C(=O)NC[C@H]3C2)CC1 ZINC000788488869 582162089 /nfs/dbraw/zinc/16/20/89/582162089.db2.gz SVRROZAIZKITPY-LBPRGKRZSA-N 2 1 280.372 -1.029 20 0 CAADMP CC[NH2+]CC(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000844172144 582216309 /nfs/dbraw/zinc/21/63/09/582216309.db2.gz ZKRIDMWNKOQXJW-UHFFFAOYSA-N 2 1 256.350 -1.124 20 0 CAADMP C[N@H+]1CC[C@](O)(CNC(=[NH2+])NCCCN2CCOCC2)C1 ZINC000849019237 582227355 /nfs/dbraw/zinc/22/73/55/582227355.db2.gz VJJLXYBEJZIURK-AWEZNQCLSA-N 2 1 299.419 -1.111 20 0 CAADMP C[N@@H+]1CC[C@](O)(CNC(=[NH2+])NCCC[NH+]2CCOCC2)C1 ZINC000849019237 582227356 /nfs/dbraw/zinc/22/73/56/582227356.db2.gz VJJLXYBEJZIURK-AWEZNQCLSA-N 3 1 299.419 -1.111 20 0 CAADMP C[N@H+]1CC[C@](O)(CNC(=[NH2+])NCCC[NH+]2CCOCC2)C1 ZINC000849019237 582227357 /nfs/dbraw/zinc/22/73/57/582227357.db2.gz VJJLXYBEJZIURK-AWEZNQCLSA-N 3 1 299.419 -1.111 20 0 CAADMP Cn1nnnc1CCNC(=[NH2+])NCCC[NH+]1CCOCC1 ZINC000849016010 582227378 /nfs/dbraw/zinc/22/73/78/582227378.db2.gz MVEMQSDXMPQHDY-UHFFFAOYSA-N 2 1 296.379 -1.411 20 0 CAADMP CN(CCC[NH3+])C(=O)C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000851685014 582229143 /nfs/dbraw/zinc/22/91/43/582229143.db2.gz OMSUAPGYZFWCNG-VXGBXAGGSA-N 2 1 298.387 -1.227 20 0 CAADMP O=C(NC[C@H]1C[N@H+]2CCC[C@H]2CO1)C(=O)N[C@H]1CC[NH2+]C1 ZINC000851686000 582229189 /nfs/dbraw/zinc/22/91/89/582229189.db2.gz YIPVSKUINVKVRN-SRVKXCTJSA-N 2 1 296.371 -1.556 20 0 CAADMP O=C(NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)C1(O)C[NH2+]C1 ZINC000852863656 582231582 /nfs/dbraw/zinc/23/15/82/582231582.db2.gz HVKCWANUUIIPAC-ZJUUUORDSA-N 2 1 255.318 -1.700 20 0 CAADMP COCC[N@@H+](C)CCNC(=O)C1=NO[C@H](C[NH3+])C1 ZINC000852863464 582231631 /nfs/dbraw/zinc/23/16/31/582231631.db2.gz GDRYNLGGVSUIGH-VIFPVBQESA-N 2 1 258.322 -1.216 20 0 CAADMP Cn1ccnc1[C@H]1C[NH2+]CCN1C(=O)C1=NO[C@@H](C[NH3+])C1 ZINC000852877981 582231731 /nfs/dbraw/zinc/23/17/31/582231731.db2.gz KSTGTBXMNWNSMW-MWLCHTKSSA-N 2 1 292.343 -1.003 20 0 CAADMP [NH3+]C[C@@H]1CC(C(=O)NCC[N@H+]2CCCOCC2)=NO1 ZINC000852886586 582231996 /nfs/dbraw/zinc/23/19/96/582231996.db2.gz PXUIBMHKVQPWCP-JTQLQIEISA-N 2 1 270.333 -1.072 20 0 CAADMP [NH3+]C[C@H]1CC(C(=O)NC[C@@H]2C[N@H+]3CCN2CCC3)=NO1 ZINC000852914628 582232405 /nfs/dbraw/zinc/23/24/05/582232405.db2.gz ZMWJVYXKRSOAPS-GHMZBOCLSA-N 2 1 281.360 -1.404 20 0 CAADMP [NH3+]C[C@H]1CC(C(=O)NC[C@H]2C[N@H+]3CCN2CCC3)=NO1 ZINC000852914632 582232749 /nfs/dbraw/zinc/23/27/49/582232749.db2.gz ZMWJVYXKRSOAPS-WDEREUQCSA-N 2 1 281.360 -1.404 20 0 CAADMP C[C@H]([NH3+])CN(C)C(=O)C(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCO1 ZINC000861755246 582244825 /nfs/dbraw/zinc/24/48/25/582244825.db2.gz UNDBMIBFVHCWKR-GARJFASQSA-N 2 1 286.376 -1.373 20 0 CAADMP C[C@H]([NH3+])CN(C)C(=O)C(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC000861755246 582244826 /nfs/dbraw/zinc/24/48/26/582244826.db2.gz UNDBMIBFVHCWKR-GARJFASQSA-N 2 1 286.376 -1.373 20 0 CAADMP CCN(CC[NH3+])C(=O)C(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000861755036 582244873 /nfs/dbraw/zinc/24/48/73/582244873.db2.gz LYWJHIUHNPYFHA-NEPJUHHUSA-N 2 1 298.387 -1.227 20 0 CAADMP COCC[N@@H+](C)CCNC(=O)C(=O)N(C)C[C@H](C)[NH3+] ZINC000861755882 582245016 /nfs/dbraw/zinc/24/50/16/582245016.db2.gz VAFHKQDZZYIOED-JTQLQIEISA-N 2 1 274.365 -1.514 20 0 CAADMP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)N(C)C[C@@H](C)[NH3+])C1 ZINC000861769174 582245022 /nfs/dbraw/zinc/24/50/22/582245022.db2.gz XBHBAFWEKYPDQV-GHMZBOCLSA-N 2 1 286.376 -1.371 20 0 CAADMP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)N(C)C[C@H](C)[NH3+])C1 ZINC000861769177 582245046 /nfs/dbraw/zinc/24/50/46/582245046.db2.gz XBHBAFWEKYPDQV-WDEREUQCSA-N 2 1 286.376 -1.371 20 0 CAADMP COCC[N@@H+](C)CCCNC(=O)C(=O)N(C)C[C@@H](C)[NH3+] ZINC000861765851 582245096 /nfs/dbraw/zinc/24/50/96/582245096.db2.gz ICSKHGSKBFABFD-LLVKDONJSA-N 2 1 288.392 -1.124 20 0 CAADMP C[C@H]([NH3+])CN(C)C(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000863769398 582250224 /nfs/dbraw/zinc/25/02/24/582250224.db2.gz LAYAHZSCRMTSIW-GARJFASQSA-N 2 1 284.360 -1.931 20 0 CAADMP C[C@@H]([NH3+])CN(C)C(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000863769399 582250236 /nfs/dbraw/zinc/25/02/36/582250236.db2.gz LAYAHZSCRMTSIW-OUAUKWLOSA-N 2 1 284.360 -1.931 20 0 CAADMP C[NH+](C)CCN1C(=O)C[C@@H]([N@H+]2C[C@@H]3COC(=O)[C@@H]3C2)C1=O ZINC000864351562 582252339 /nfs/dbraw/zinc/25/23/39/582252339.db2.gz SRDIAZCVDAHGHH-GMTAPVOTSA-N 2 1 295.339 -1.220 20 0 CAADMP C[NH+](C)CCN1C(=O)C[C@H]([N@H+]2C[C@@H]3COC(=O)[C@@H]3C2)C1=O ZINC000864351563 582252371 /nfs/dbraw/zinc/25/23/71/582252371.db2.gz SRDIAZCVDAHGHH-MXWKQRLJSA-N 2 1 295.339 -1.220 20 0 CAADMP C[NH2+]C[C@](C)(O)C[N@H+]1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1 ZINC000866701653 582253827 /nfs/dbraw/zinc/25/38/27/582253827.db2.gz LVDNPESECWVCTP-SBMIAAHKSA-N 2 1 255.318 -1.497 20 0 CAADMP Cn1nnnc1CC[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000866659596 582253917 /nfs/dbraw/zinc/25/39/17/582253917.db2.gz OWDKHNDFMIKLPV-UHFFFAOYSA-N 2 1 253.354 -1.410 20 0 CAADMP [NH3+]CCOCC[N@@H+]1CCC[C@H]2OCCNC(=O)[C@H]21 ZINC000866718085 582254089 /nfs/dbraw/zinc/25/40/89/582254089.db2.gz WEFWWKKICRCBDS-MNOVXSKESA-N 2 1 257.334 -1.059 20 0 CAADMP [NH3+]CCOCC[N@H+]1CCC[C@H]2OCCNC(=O)[C@H]21 ZINC000866718085 582254090 /nfs/dbraw/zinc/25/40/90/582254090.db2.gz WEFWWKKICRCBDS-MNOVXSKESA-N 2 1 257.334 -1.059 20 0 CAADMP [NH3+]CCOCC[N@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866714205 582254119 /nfs/dbraw/zinc/25/41/19/582254119.db2.gz INNMYVREIRVLNF-TUAOUCFPSA-N 3 1 284.360 -1.171 20 0 CAADMP [NH3+]CCOCC[N@@H+]1CCC[C@@H]2OCCNC(=O)[C@H]21 ZINC000866718086 582254144 /nfs/dbraw/zinc/25/41/44/582254144.db2.gz WEFWWKKICRCBDS-QWRGUYRKSA-N 2 1 257.334 -1.059 20 0 CAADMP [NH3+]CCOCC[N@H+]1CCC[C@@H]2OCCNC(=O)[C@H]21 ZINC000866718086 582254145 /nfs/dbraw/zinc/25/41/45/582254145.db2.gz WEFWWKKICRCBDS-QWRGUYRKSA-N 2 1 257.334 -1.059 20 0 CAADMP CCNC(=O)C[N@@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866714688 582254159 /nfs/dbraw/zinc/25/41/59/582254159.db2.gz VDXXYECOWLMMLQ-AXFHLTTASA-N 2 1 282.344 -1.011 20 0 CAADMP CCNC(=O)C[N@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866714688 582254160 /nfs/dbraw/zinc/25/41/60/582254160.db2.gz VDXXYECOWLMMLQ-AXFHLTTASA-N 2 1 282.344 -1.011 20 0 CAADMP COCC[N@H+]1CC[C@H](NC(=O)[C@@H](N)C[NH+](C)C)C1 ZINC000876756584 582263094 /nfs/dbraw/zinc/26/30/94/582263094.db2.gz VQGGCBVXELCIOA-QWRGUYRKSA-N 2 1 258.366 -1.288 20 0 CAADMP C[NH+](C)C[C@H](N)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000876722354 582263104 /nfs/dbraw/zinc/26/31/04/582263104.db2.gz SPCFDPFAASXFAC-NSHDSACASA-N 2 1 285.392 -1.844 20 0 CAADMP C[NH+](C)C[C@H](N)C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000876808491 582263228 /nfs/dbraw/zinc/26/32/28/582263228.db2.gz JICJOINNDGEXTD-NEPJUHHUSA-N 2 1 297.403 -1.702 20 0 CAADMP C[NH+](C)C[C@H](N)C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000876808492 582263298 /nfs/dbraw/zinc/26/32/98/582263298.db2.gz JICJOINNDGEXTD-RYUDHWBXSA-N 2 1 297.403 -1.702 20 0 CAADMP C[NH+](C)C[C@H](N)C(=O)N1CC[NH2+]C[C@H]1C(F)F ZINC000876855170 582263398 /nfs/dbraw/zinc/26/33/98/582263398.db2.gz ZHTVVHLBJVIAAZ-YUMQZZPRSA-N 2 1 250.293 -1.059 20 0 CAADMP C[NH+]1CCC(NC(=O)CN2CC[N@H+]3C[C@H](O)C[C@H]3C2)CC1 ZINC000878844764 582266821 /nfs/dbraw/zinc/26/68/21/582266821.db2.gz HCCBNARVAQTAFC-UONOGXRCSA-N 2 1 296.415 -1.052 20 0 CAADMP CN1C(=O)[C@H]2C[N@H+](C[C@@H](O)C[NH+]3CCCC3)C[C@H]2C1=O ZINC000879531951 582267619 /nfs/dbraw/zinc/26/76/19/582267619.db2.gz MXFRACXKJCVSTA-SDDRHHMPSA-N 2 1 281.356 -1.010 20 0 CAADMP CN1C(=O)[C@H]2C[N@@H+](C[C@@H](O)C[NH+]3CCCC3)C[C@H]2C1=O ZINC000879531951 582267620 /nfs/dbraw/zinc/26/76/20/582267620.db2.gz MXFRACXKJCVSTA-SDDRHHMPSA-N 2 1 281.356 -1.010 20 0 CAADMP C[NH+]1CCN(C(=O)CC[N@@H+]2CC[C@@H](O)[C@@H](O)C2)CC1 ZINC000879610993 582267783 /nfs/dbraw/zinc/26/77/83/582267783.db2.gz XMKXSKMZTJDKLY-NEPJUHHUSA-N 2 1 271.361 -1.422 20 0 CAADMP C[NH+]1CCN(C(=O)CC[N@H+]2CC[C@@H](O)[C@@H](O)C2)CC1 ZINC000879610993 582267784 /nfs/dbraw/zinc/26/77/84/582267784.db2.gz XMKXSKMZTJDKLY-NEPJUHHUSA-N 2 1 271.361 -1.422 20 0 CAADMP COC(=O)[C@]1(O)CC[N@H+](CCC(=O)N2CC[NH+](C)CC2)C1 ZINC000880567290 582269917 /nfs/dbraw/zinc/26/99/17/582269917.db2.gz YNRPSTAJCQTMAH-AWEZNQCLSA-N 2 1 299.371 -1.240 20 0 CAADMP COC(=O)[C@]1(O)CC[N@@H+](CCC(=O)N2CC[NH+](C)CC2)C1 ZINC000880567290 582269918 /nfs/dbraw/zinc/26/99/18/582269918.db2.gz YNRPSTAJCQTMAH-AWEZNQCLSA-N 2 1 299.371 -1.240 20 0 CAADMP O=C(N1CCNCC1)N1CCN(CCn2cnnn2)CC1 ZINC000883437379 582272171 /nfs/dbraw/zinc/27/21/71/582272171.db2.gz QIOKSQNRFDGOOY-UHFFFAOYSA-N 2 1 294.363 -1.684 20 0 CAADMP CO[C@@H](C[NH3+])C(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000884207952 582273914 /nfs/dbraw/zinc/27/39/14/582273914.db2.gz LBURPIIUMLWYOC-DCAQKATOSA-N 2 1 257.334 -1.061 20 0 CAADMP COCC[N@@H+](C)CCNC(=O)C(=O)N1C[C@@H]([NH3+])C[C@@H]1C ZINC000884563035 582275304 /nfs/dbraw/zinc/27/53/04/582275304.db2.gz SDGVWKAXIABTAF-QWRGUYRKSA-N 2 1 286.376 -1.371 20 0 CAADMP Cc1[nH+]ccn1CCNC(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000884545378 582275333 /nfs/dbraw/zinc/27/53/33/582275333.db2.gz GOEZJDCSPCYFKJ-QWRGUYRKSA-N 2 1 277.328 -1.120 20 0 CAADMP C[C@H](NC(=O)C(=O)N1C[C@H]([NH3+])C[C@@H]1C)[C@@H]1C[N@H+](C)CCO1 ZINC000884571714 582275493 /nfs/dbraw/zinc/27/54/93/582275493.db2.gz WHTCHIMEGHBWMI-YFKTTZPYSA-N 2 1 298.387 -1.230 20 0 CAADMP C[C@H](NC(=O)C(=O)N1C[C@H]([NH3+])C[C@@H]1C)[C@@H]1C[N@@H+](C)CCO1 ZINC000884571714 582275494 /nfs/dbraw/zinc/27/54/94/582275494.db2.gz WHTCHIMEGHBWMI-YFKTTZPYSA-N 2 1 298.387 -1.230 20 0 CAADMP C[C@H](NC(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)[C@H]1C[N@H+](C)CCO1 ZINC000884570982 582275508 /nfs/dbraw/zinc/27/55/08/582275508.db2.gz DQKBWNYACJZLOX-FIQHERPVSA-N 2 1 296.371 -1.606 20 0 CAADMP C[C@H](NC(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)[C@H]1C[N@@H+](C)CCO1 ZINC000884570982 582275510 /nfs/dbraw/zinc/27/55/10/582275510.db2.gz DQKBWNYACJZLOX-FIQHERPVSA-N 2 1 296.371 -1.606 20 0 CAADMP C[C@@H](NC(=O)C(=O)N1CCC[C@@H]1C[NH3+])[C@@H]1C[N@H+](C)CCO1 ZINC000884571445 582275541 /nfs/dbraw/zinc/27/55/41/582275541.db2.gz PONCXWIICTYDMU-UTUOFQBUSA-N 2 1 298.387 -1.229 20 0 CAADMP C[C@@H](NC(=O)C(=O)N1CCC[C@@H]1C[NH3+])[C@@H]1C[N@@H+](C)CCO1 ZINC000884571445 582275543 /nfs/dbraw/zinc/27/55/43/582275543.db2.gz PONCXWIICTYDMU-UTUOFQBUSA-N 2 1 298.387 -1.229 20 0 CAADMP C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)NCC[NH3+])CC[C@H]21 ZINC000884673410 582275754 /nfs/dbraw/zinc/27/57/54/582275754.db2.gz WFSQRFLCVZLXIW-NXEZZACHSA-N 2 1 254.334 -1.386 20 0 CAADMP COCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CCC[C@@H]2C[NH3+])C1 ZINC000884642535 582275823 /nfs/dbraw/zinc/27/58/23/582275823.db2.gz LMDLWYKVKGKCGZ-NWDGAFQWSA-N 2 1 298.387 -1.227 20 0 CAADMP C[NH2+]CCNC(=O)C(=O)N1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000884686512 582276086 /nfs/dbraw/zinc/27/60/86/582276086.db2.gz MKJBYYWLOJXQPI-QWRGUYRKSA-N 2 1 268.361 -1.125 20 0 CAADMP C[N@H+]1CC[C@H]2CN(C(=O)C(=O)NC3C[NH2+]C3)CC[C@@H]21 ZINC000884693200 582276217 /nfs/dbraw/zinc/27/62/17/582276217.db2.gz QADVWOOBMMWUMR-ONGXEEELSA-N 2 1 266.345 -1.373 20 0 CAADMP C[N@@H+]1CCN(C(=O)C(=O)NC2C[NH2+]C2)CC1(C)C ZINC000884692878 582276224 /nfs/dbraw/zinc/27/62/24/582276224.db2.gz CJHQQUYXUJGICD-UHFFFAOYSA-N 2 1 254.334 -1.373 20 0 CAADMP C[N@H+]1CCN(C(=O)C(=O)NC2C[NH2+]C2)CC1(C)C ZINC000884692878 582276225 /nfs/dbraw/zinc/27/62/25/582276225.db2.gz CJHQQUYXUJGICD-UHFFFAOYSA-N 2 1 254.334 -1.373 20 0 CAADMP C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)NC3C[NH2+]C3)CC[C@@H]21 ZINC000884693198 582276235 /nfs/dbraw/zinc/27/62/35/582276235.db2.gz QADVWOOBMMWUMR-KOLCDFICSA-N 2 1 266.345 -1.373 20 0 CAADMP C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)NC3C[NH2+]C3)CC[C@H]21 ZINC000884693199 582276245 /nfs/dbraw/zinc/27/62/45/582276245.db2.gz QADVWOOBMMWUMR-MWLCHTKSSA-N 2 1 266.345 -1.373 20 0 CAADMP C[N@@H+]1CCN(C(=O)C(=O)NC[C@@H]2C[NH2+]CCO2)CC1(C)C ZINC000884726286 582276556 /nfs/dbraw/zinc/27/65/56/582276556.db2.gz MYGVKTCAWAUIHI-NSHDSACASA-N 2 1 298.387 -1.356 20 0 CAADMP C[N@H+]1CCN(C(=O)C(=O)NC[C@@H]2C[NH2+]CCO2)CC1(C)C ZINC000884726286 582276557 /nfs/dbraw/zinc/27/65/57/582276557.db2.gz MYGVKTCAWAUIHI-NSHDSACASA-N 2 1 298.387 -1.356 20 0 CAADMP CC[N@@H+]1CCO[C@@H](C(=O)N2CC[C@@H]([NH2+]CCO)C2)C1 ZINC000970758621 615169623 /nfs/dbraw/zinc/16/96/23/615169623.db2.gz ASSNROOIEKZSPK-VXGBXAGGSA-N 2 1 271.361 -1.110 20 0 CAADMP CC[N@H+]1CCO[C@@H](C(=O)N2CC[C@@H]([NH2+]CCO)C2)C1 ZINC000970758621 615169624 /nfs/dbraw/zinc/16/96/24/615169624.db2.gz ASSNROOIEKZSPK-VXGBXAGGSA-N 2 1 271.361 -1.110 20 0 CAADMP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2[C@H]3C[NH+](CCO)C[C@H]32)C1 ZINC000979071017 615171030 /nfs/dbraw/zinc/17/10/30/615171030.db2.gz JYCSNAPWPRYAGQ-YIYPIFLZSA-N 2 1 297.399 -1.007 20 0 CAADMP CC[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2[C@H]3C[NH+](CCO)C[C@H]32)C1 ZINC000979071017 615171031 /nfs/dbraw/zinc/17/10/31/615171031.db2.gz JYCSNAPWPRYAGQ-YIYPIFLZSA-N 2 1 297.399 -1.007 20 0 CAADMP CC[NH+]1CCO[C@@H](C(=O)NC[C@@H]2[C@H]3C[N@@H+](CCO)C[C@H]32)C1 ZINC000979071017 615171033 /nfs/dbraw/zinc/17/10/33/615171033.db2.gz JYCSNAPWPRYAGQ-YIYPIFLZSA-N 2 1 297.399 -1.007 20 0 CAADMP CC[NH+]1CCO[C@@H](C(=O)NC[C@@H]2[C@H]3C[N@H+](CCO)C[C@H]32)C1 ZINC000979071017 615171035 /nfs/dbraw/zinc/17/10/35/615171035.db2.gz JYCSNAPWPRYAGQ-YIYPIFLZSA-N 2 1 297.399 -1.007 20 0 CAADMP C[NH+](C)[C@@H](Cn1cccn1)C(=O)N1CC[C@@H]([NH2+]CCO)C1 ZINC000968909776 615975416 /nfs/dbraw/zinc/97/54/16/615975416.db2.gz RIDMOGVZMCSGPY-OLZOCXBDSA-N 2 1 295.387 -1.004 20 0 CAADMP C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2[C@H]3C[NH+](CCO)C[C@H]32)C1 ZINC000958474349 616253196 /nfs/dbraw/zinc/25/31/96/616253196.db2.gz KFQBZPCFMDWLTP-KXNHARMFSA-N 2 1 269.345 -1.644 20 0 CAADMP C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2[C@H]3C[NH+](CCO)C[C@H]32)C1 ZINC000958474349 616253197 /nfs/dbraw/zinc/25/31/97/616253197.db2.gz KFQBZPCFMDWLTP-KXNHARMFSA-N 2 1 269.345 -1.644 20 0 CAADMP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2[C@H]3C[N@H+](CCO)C[C@H]32)C1 ZINC000958474349 616253198 /nfs/dbraw/zinc/25/31/98/616253198.db2.gz KFQBZPCFMDWLTP-KXNHARMFSA-N 2 1 269.345 -1.644 20 0 CAADMP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](CCO)C[C@H]32)C1 ZINC000958474349 616253199 /nfs/dbraw/zinc/25/31/99/616253199.db2.gz KFQBZPCFMDWLTP-KXNHARMFSA-N 2 1 269.345 -1.644 20 0 CAADMP C[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2[C@H]3C[NH+](CCO)C[C@H]32)C1 ZINC000977951643 616259469 /nfs/dbraw/zinc/25/94/69/616259469.db2.gz GNSZZXRPFLUZKR-RVMXOQNASA-N 2 1 283.372 -1.397 20 0 CAADMP C[N@H+]1CCO[C@H](C(=O)NC[C@@H]2[C@H]3C[NH+](CCO)C[C@H]32)C1 ZINC000977951643 616259470 /nfs/dbraw/zinc/25/94/70/616259470.db2.gz GNSZZXRPFLUZKR-RVMXOQNASA-N 2 1 283.372 -1.397 20 0 CAADMP C[NH+]1CCO[C@H](C(=O)NC[C@@H]2[C@H]3C[N@@H+](CCO)C[C@H]32)C1 ZINC000977951643 616259471 /nfs/dbraw/zinc/25/94/71/616259471.db2.gz GNSZZXRPFLUZKR-RVMXOQNASA-N 2 1 283.372 -1.397 20 0 CAADMP C[NH+]1CCO[C@H](C(=O)NC[C@@H]2[C@H]3C[N@H+](CCO)C[C@H]32)C1 ZINC000977951643 616259472 /nfs/dbraw/zinc/25/94/72/616259472.db2.gz GNSZZXRPFLUZKR-RVMXOQNASA-N 2 1 283.372 -1.397 20 0 CAADMP C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2[C@H]3C[NH+](CCCO)C[C@H]32)C1 ZINC000958473533 616260223 /nfs/dbraw/zinc/26/02/23/616260223.db2.gz BKHVPMWYXPUCQS-QNWHQSFQSA-N 2 1 283.372 -1.254 20 0 CAADMP C[N@H+]1CCO[C@H](C(=O)N[C@@H]2[C@H]3C[NH+](CCCO)C[C@H]32)C1 ZINC000958473533 616260224 /nfs/dbraw/zinc/26/02/24/616260224.db2.gz BKHVPMWYXPUCQS-QNWHQSFQSA-N 2 1 283.372 -1.254 20 0 CAADMP C[NH+]1CCO[C@H](C(=O)N[C@@H]2[C@H]3C[N@H+](CCCO)C[C@H]32)C1 ZINC000958473533 616260225 /nfs/dbraw/zinc/26/02/25/616260225.db2.gz BKHVPMWYXPUCQS-QNWHQSFQSA-N 2 1 283.372 -1.254 20 0 CAADMP C[NH+]1CCO[C@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](CCCO)C[C@H]32)C1 ZINC000958473533 616260226 /nfs/dbraw/zinc/26/02/26/616260226.db2.gz BKHVPMWYXPUCQS-QNWHQSFQSA-N 2 1 283.372 -1.254 20 0 CAADMP Cn1nnnc1C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC000970712769 616265259 /nfs/dbraw/zinc/26/52/59/616265259.db2.gz ROTPAHLLKRLBHB-GHMZBOCLSA-N 2 1 293.375 -1.148 20 0 CAADMP Cn1nnnc1C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000970712769 616265260 /nfs/dbraw/zinc/26/52/60/616265260.db2.gz ROTPAHLLKRLBHB-GHMZBOCLSA-N 2 1 293.375 -1.148 20 0 CAADMP CN(CC(N)=O)[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000980398566 616265476 /nfs/dbraw/zinc/26/54/76/616265476.db2.gz YBIJIPRAGYECGA-MNOVXSKESA-N 2 1 268.361 -1.044 20 0 CAADMP C[N@H+](CC(N)=O)[C@H]1CCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC000980398566 616265477 /nfs/dbraw/zinc/26/54/77/616265477.db2.gz YBIJIPRAGYECGA-MNOVXSKESA-N 2 1 268.361 -1.044 20 0 CAADMP C[N@@H+](CC(N)=O)[C@H]1CCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC000980398566 616265478 /nfs/dbraw/zinc/26/54/78/616265478.db2.gz YBIJIPRAGYECGA-MNOVXSKESA-N 2 1 268.361 -1.044 20 0 CAADMP C[NH+](CC(N)=O)[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC000980398566 616265479 /nfs/dbraw/zinc/26/54/79/616265479.db2.gz YBIJIPRAGYECGA-MNOVXSKESA-N 2 1 268.361 -1.044 20 0 CAADMP C[NH+](CC(N)=O)[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000980398566 616265480 /nfs/dbraw/zinc/26/54/80/616265480.db2.gz YBIJIPRAGYECGA-MNOVXSKESA-N 2 1 268.361 -1.044 20 0 CAADMP C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2[C@H]3C[NH+](CC(N)=O)C[C@H]32)C1 ZINC000962291403 616269521 /nfs/dbraw/zinc/26/95/21/616269521.db2.gz FVYAWEOARPYGHS-KZWBYHQPSA-N 2 1 280.372 -1.140 20 0 CAADMP C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2[C@H]3C[NH+](CC(N)=O)C[C@H]32)C1 ZINC000962291403 616269522 /nfs/dbraw/zinc/26/95/22/616269522.db2.gz FVYAWEOARPYGHS-KZWBYHQPSA-N 2 1 280.372 -1.140 20 0 CAADMP C[NH+]1CC[C@@H](CC(=O)N[C@@H]2[C@H]3C[N@H+](CC(N)=O)C[C@H]32)C1 ZINC000962291403 616269523 /nfs/dbraw/zinc/26/95/23/616269523.db2.gz FVYAWEOARPYGHS-KZWBYHQPSA-N 2 1 280.372 -1.140 20 0 CAADMP C[NH+]1CC[C@@H](CC(=O)N[C@@H]2[C@H]3C[N@@H+](CC(N)=O)C[C@H]32)C1 ZINC000962291403 616269524 /nfs/dbraw/zinc/26/95/24/616269524.db2.gz FVYAWEOARPYGHS-KZWBYHQPSA-N 2 1 280.372 -1.140 20 0 CAADMP CN(CC(N)=O)[C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000980398567 616364488 /nfs/dbraw/zinc/36/44/88/616364488.db2.gz YBIJIPRAGYECGA-QWRGUYRKSA-N 2 1 268.361 -1.044 20 0 CAADMP C[N@H+](CC(N)=O)[C@H]1CCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC000980398567 616364492 /nfs/dbraw/zinc/36/44/92/616364492.db2.gz YBIJIPRAGYECGA-QWRGUYRKSA-N 2 1 268.361 -1.044 20 0 CAADMP C[N@@H+](CC(N)=O)[C@H]1CCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC000980398567 616364497 /nfs/dbraw/zinc/36/44/97/616364497.db2.gz YBIJIPRAGYECGA-QWRGUYRKSA-N 2 1 268.361 -1.044 20 0 CAADMP C[NH+](CC(N)=O)[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC000980398567 616364500 /nfs/dbraw/zinc/36/45/00/616364500.db2.gz YBIJIPRAGYECGA-QWRGUYRKSA-N 2 1 268.361 -1.044 20 0 CAADMP C[NH+](CC(N)=O)[C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000980398567 616364502 /nfs/dbraw/zinc/36/45/02/616364502.db2.gz YBIJIPRAGYECGA-QWRGUYRKSA-N 2 1 268.361 -1.044 20 0 CAADMP C[N@H+]1CC[C@H](C(=O)N[C@@H]2[C@H]3C[NH+](CCO)C[C@H]32)C1 ZINC000962585030 616380500 /nfs/dbraw/zinc/38/05/00/616380500.db2.gz FDVDOPROZNXUEA-NNYUYHANSA-N 2 1 253.346 -1.023 20 0 CAADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2[C@H]3C[N@H+](CCO)C[C@H]32)C1 ZINC000962585030 616380505 /nfs/dbraw/zinc/38/05/05/616380505.db2.gz FDVDOPROZNXUEA-NNYUYHANSA-N 2 1 253.346 -1.023 20 0 CAADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](CCO)C[C@H]32)C1 ZINC000962585030 616380509 /nfs/dbraw/zinc/38/05/09/616380509.db2.gz FDVDOPROZNXUEA-NNYUYHANSA-N 2 1 253.346 -1.023 20 0 CAADMP C[N@H+]1CC[C@H](CC(=O)N[C@@H]2[C@H]3CN(CC(N)=O)C[C@H]32)C1 ZINC000962291404 616393661 /nfs/dbraw/zinc/39/36/61/616393661.db2.gz FVYAWEOARPYGHS-PUHVVEEASA-N 2 1 280.372 -1.140 20 0 CAADMP C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2[C@H]3C[NH+](CC(N)=O)C[C@H]32)C1 ZINC000962291404 616393664 /nfs/dbraw/zinc/39/36/64/616393664.db2.gz FVYAWEOARPYGHS-PUHVVEEASA-N 2 1 280.372 -1.140 20 0 CAADMP C[N@H+]1CC[C@H](CC(=O)N[C@@H]2[C@H]3C[NH+](CC(N)=O)C[C@H]32)C1 ZINC000962291404 616393667 /nfs/dbraw/zinc/39/36/67/616393667.db2.gz FVYAWEOARPYGHS-PUHVVEEASA-N 2 1 280.372 -1.140 20 0 CAADMP C[NH+]1CC[C@H](CC(=O)N[C@@H]2[C@H]3C[N@H+](CC(N)=O)C[C@H]32)C1 ZINC000962291404 616393671 /nfs/dbraw/zinc/39/36/71/616393671.db2.gz FVYAWEOARPYGHS-PUHVVEEASA-N 2 1 280.372 -1.140 20 0 CAADMP C[NH+]1CC[C@H](CC(=O)N[C@@H]2[C@H]3C[N@@H+](CC(N)=O)C[C@H]32)C1 ZINC000962291404 616393674 /nfs/dbraw/zinc/39/36/74/616393674.db2.gz FVYAWEOARPYGHS-PUHVVEEASA-N 2 1 280.372 -1.140 20 0 CAADMP CNC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC000979076249 616640642 /nfs/dbraw/zinc/64/06/42/616640642.db2.gz VOQHSQAXBRXBJF-LPWJVIDDSA-N 2 1 294.399 -1.022 20 0 CAADMP CNC(=O)C[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC000979076249 616640648 /nfs/dbraw/zinc/64/06/48/616640648.db2.gz VOQHSQAXBRXBJF-LPWJVIDDSA-N 2 1 294.399 -1.022 20 0 CAADMP CNC(=O)C[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC000979076249 616640651 /nfs/dbraw/zinc/64/06/51/616640651.db2.gz VOQHSQAXBRXBJF-LPWJVIDDSA-N 2 1 294.399 -1.022 20 0 CAADMP CNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1CCCC1 ZINC000962559680 616641232 /nfs/dbraw/zinc/64/12/32/616641232.db2.gz YLCPKOGQEAHBGY-YABSGUDNSA-N 2 1 280.372 -1.125 20 0 CAADMP CNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1CCCC1 ZINC000962559680 616641237 /nfs/dbraw/zinc/64/12/37/616641237.db2.gz YLCPKOGQEAHBGY-YABSGUDNSA-N 2 1 280.372 -1.125 20 0 CAADMP CNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[NH+]1C ZINC000958377666 616643872 /nfs/dbraw/zinc/64/38/72/616643872.db2.gz HLLNMFOJNUNVPB-SRRSOLGSSA-N 2 1 280.372 -1.127 20 0 CAADMP CNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[NH+]1C ZINC000958377666 616643873 /nfs/dbraw/zinc/64/38/73/616643873.db2.gz HLLNMFOJNUNVPB-SRRSOLGSSA-N 2 1 280.372 -1.127 20 0 CAADMP CNC(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[N@@H+]1C ZINC000958377666 616643874 /nfs/dbraw/zinc/64/38/74/616643874.db2.gz HLLNMFOJNUNVPB-SRRSOLGSSA-N 2 1 280.372 -1.127 20 0 CAADMP CNC(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[N@H+]1C ZINC000958377666 616643875 /nfs/dbraw/zinc/64/38/75/616643875.db2.gz HLLNMFOJNUNVPB-SRRSOLGSSA-N 2 1 280.372 -1.127 20 0 CAADMP CNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CN(C)CCO1 ZINC000958470641 616644761 /nfs/dbraw/zinc/64/47/61/616644761.db2.gz VXDWXLLNIVBXNA-XZUYRWCXSA-N 2 1 296.371 -1.891 20 0 CAADMP CNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CN(C)CCO1 ZINC000958470641 616644765 /nfs/dbraw/zinc/64/47/65/616644765.db2.gz VXDWXLLNIVBXNA-XZUYRWCXSA-N 2 1 296.371 -1.891 20 0 CAADMP C[NH+](C)C[C@H](CO)NC(=O)[C@]1(C)C[C@@H](O)C[N@H+]1C ZINC000908200322 656210238 /nfs/dbraw/zinc/21/02/38/656210238.db2.gz IRZHNNHGESSEJF-FOGDFJRCSA-N 2 1 259.350 -1.520 20 0 CAADMP CCC[N@@H+](C)CC(=O)NC[C@]1(CO)COCC[NH2+]1 ZINC000913187318 656277577 /nfs/dbraw/zinc/27/75/77/656277577.db2.gz ATXBAHQBSCBQHV-LBPRGKRZSA-N 2 1 259.350 -1.205 20 0 CAADMP CC(C)[N@@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H]([NH2+]CC(N)=O)C2)C1 ZINC001020508275 655998522 /nfs/dbraw/zinc/99/85/22/655998522.db2.gz RLMKQZSOOGEKRA-SRVKXCTJSA-N 2 1 298.387 -1.182 20 0 CAADMP CC(C)[N@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H]([NH2+]CC(N)=O)C2)C1 ZINC001020508275 655998530 /nfs/dbraw/zinc/99/85/30/655998530.db2.gz RLMKQZSOOGEKRA-SRVKXCTJSA-N 2 1 298.387 -1.182 20 0 CAADMP Cn1nnnc1C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001021047684 656010075 /nfs/dbraw/zinc/01/00/75/656010075.db2.gz LGINEXGTRLJGDD-DCAQKATOSA-N 2 1 293.375 -1.101 20 0 CAADMP Cn1nnnc1C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001021047684 656010077 /nfs/dbraw/zinc/01/00/77/656010077.db2.gz LGINEXGTRLJGDD-DCAQKATOSA-N 2 1 293.375 -1.101 20 0 CAADMP C[N@H+]1CC[C@H](C(=O)N[C@H]2C[C@H]([NH2+]CC(N)=O)C2)C1 ZINC001021047557 656010349 /nfs/dbraw/zinc/01/03/49/656010349.db2.gz HSLUGFSWYJQISJ-GUBZILKMSA-N 2 1 254.334 -1.340 20 0 CAADMP Cc1[nH+]ccn1CC(=O)N[C@H]1C[C@H]([NH2+]CC(N)=O)C1 ZINC001021053716 656010784 /nfs/dbraw/zinc/01/07/84/656010784.db2.gz WXJJFQRXBYFDAN-MGCOHNPYSA-N 2 1 265.317 -1.086 20 0 CAADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H]([NH2+]CCO)C2)C1 ZINC001021074353 656012648 /nfs/dbraw/zinc/01/26/48/656012648.db2.gz PRGKMEODYVDJGR-SRVKXCTJSA-N 2 1 271.361 -1.064 20 0 CAADMP CC[N@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H]([NH2+]CCO)C2)C1 ZINC001021074353 656012653 /nfs/dbraw/zinc/01/26/53/656012653.db2.gz PRGKMEODYVDJGR-SRVKXCTJSA-N 2 1 271.361 -1.064 20 0 CAADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H]([NH2+][C@H](C)C(N)=O)C2)C1 ZINC001021074634 656012823 /nfs/dbraw/zinc/01/28/23/656012823.db2.gz VCLBPHFXFICVHE-DDHJBXDOSA-N 2 1 298.387 -1.182 20 0 CAADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H]([NH2+][C@H](C)C(N)=O)C2)C1 ZINC001021074634 656012826 /nfs/dbraw/zinc/01/28/26/656012826.db2.gz VCLBPHFXFICVHE-DDHJBXDOSA-N 2 1 298.387 -1.182 20 0 CAADMP C[C@H]([NH2+][C@@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1)C(N)=O ZINC000970261336 656013278 /nfs/dbraw/zinc/01/32/78/656013278.db2.gz DHASEQALXBSIAN-NWDGAFQWSA-N 2 1 298.387 -1.227 20 0 CAADMP C[C@H](O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001021929027 656024257 /nfs/dbraw/zinc/02/42/57/656024257.db2.gz XRUYOGOIKOCFMG-NNYUYHANSA-N 2 1 271.361 -1.065 20 0 CAADMP C[C@H](O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001021929027 656024260 /nfs/dbraw/zinc/02/42/60/656024260.db2.gz XRUYOGOIKOCFMG-NNYUYHANSA-N 2 1 271.361 -1.065 20 0 CAADMP CC[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1)C(N)=O ZINC001021927158 656024532 /nfs/dbraw/zinc/02/45/32/656024532.db2.gz BUTGAHIWCYNWOR-WRWGMCAJSA-N 2 1 298.387 -1.182 20 0 CAADMP CC[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1)C(N)=O ZINC001021927158 656024533 /nfs/dbraw/zinc/02/45/33/656024533.db2.gz BUTGAHIWCYNWOR-WRWGMCAJSA-N 2 1 298.387 -1.182 20 0 CAADMP C[C@H](O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001021929042 656024670 /nfs/dbraw/zinc/02/46/70/656024670.db2.gz XRUYOGOIKOCFMG-YFKTTZPYSA-N 2 1 271.361 -1.065 20 0 CAADMP C[C@H](O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001021929042 656024674 /nfs/dbraw/zinc/02/46/74/656024674.db2.gz XRUYOGOIKOCFMG-YFKTTZPYSA-N 2 1 271.361 -1.065 20 0 CAADMP CC[C@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1)C(N)=O ZINC001021927153 656024690 /nfs/dbraw/zinc/02/46/90/656024690.db2.gz BUTGAHIWCYNWOR-USZNOCQGSA-N 2 1 298.387 -1.182 20 0 CAADMP CC[C@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1)C(N)=O ZINC001021927153 656024693 /nfs/dbraw/zinc/02/46/93/656024693.db2.gz BUTGAHIWCYNWOR-USZNOCQGSA-N 2 1 298.387 -1.182 20 0 CAADMP C[N@@H+]1CCO[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]CCO)C2)C1 ZINC001021928938 656024705 /nfs/dbraw/zinc/02/47/05/656024705.db2.gz UZNLTPQLQDYIDM-AXFHLTTASA-N 2 1 257.334 -1.454 20 0 CAADMP C[N@H+]1CCO[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]CCO)C2)C1 ZINC001021928938 656024708 /nfs/dbraw/zinc/02/47/08/656024708.db2.gz UZNLTPQLQDYIDM-AXFHLTTASA-N 2 1 257.334 -1.454 20 0 CAADMP CC(C)[N@@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]CC(N)=O)C2)C1 ZINC001022597895 656031613 /nfs/dbraw/zinc/03/16/13/656031613.db2.gz RLMKQZSOOGEKRA-GRYCIOLGSA-N 2 1 298.387 -1.182 20 0 CAADMP CC(C)[N@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]CC(N)=O)C2)C1 ZINC001022597895 656031615 /nfs/dbraw/zinc/03/16/15/656031615.db2.gz RLMKQZSOOGEKRA-GRYCIOLGSA-N 2 1 298.387 -1.182 20 0 CAADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC(N)=O)C1 ZINC001022720502 656033579 /nfs/dbraw/zinc/03/35/79/656033579.db2.gz QYHWEIDRXYDZRG-CHWFTXMASA-N 2 1 268.361 -1.094 20 0 CAADMP C[N@H+]1CC[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]CC(N)=O)C2)C1 ZINC001023084063 656042415 /nfs/dbraw/zinc/04/24/15/656042415.db2.gz HSLUGFSWYJQISJ-LPEHRKFASA-N 2 1 254.334 -1.340 20 0 CAADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]CCO)C2)C1 ZINC001023110117 656042791 /nfs/dbraw/zinc/04/27/91/656042791.db2.gz PRGKMEODYVDJGR-GRYCIOLGSA-N 2 1 271.361 -1.064 20 0 CAADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]CCO)C2)C1 ZINC001023110117 656042793 /nfs/dbraw/zinc/04/27/93/656042793.db2.gz PRGKMEODYVDJGR-GRYCIOLGSA-N 2 1 271.361 -1.064 20 0 CAADMP COCC[N@@H+](C)C[C@H](O)CN1CCO[C@@H](C[NH3+])C1 ZINC000311133901 656059323 /nfs/dbraw/zinc/05/93/23/656059323.db2.gz JZUJDWOVDMKVDH-RYUDHWBXSA-N 2 1 261.366 -1.415 20 0 CAADMP O=C(N[C@@H]1[C@H]2C[N@H+](CCO)C[C@H]21)[C@@H]1C[NH+]2CCC[C@@H]2CO1 ZINC001025798641 656067956 /nfs/dbraw/zinc/06/79/56/656067956.db2.gz BREQHONJPUEZCG-DGTMBMJNSA-N 2 1 295.383 -1.112 20 0 CAADMP O=C(N[C@@H]1[C@H]2C[NH+](CCO)C[C@H]21)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001025798641 656067957 /nfs/dbraw/zinc/06/79/57/656067957.db2.gz BREQHONJPUEZCG-DGTMBMJNSA-N 2 1 295.383 -1.112 20 0 CAADMP O=C(N[C@@H]1[C@H]2C[NH+](CCO)C[C@H]21)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001025798641 656067960 /nfs/dbraw/zinc/06/79/60/656067960.db2.gz BREQHONJPUEZCG-DGTMBMJNSA-N 2 1 295.383 -1.112 20 0 CAADMP Cn1nnnc1CN[C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001019771548 656068792 /nfs/dbraw/zinc/06/87/92/656068792.db2.gz ROTPAHLLKRLBHB-QWRGUYRKSA-N 2 1 293.375 -1.148 20 0 CAADMP Cn1nnnc1C[NH2+][C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001019771548 656068793 /nfs/dbraw/zinc/06/87/93/656068793.db2.gz ROTPAHLLKRLBHB-QWRGUYRKSA-N 2 1 293.375 -1.148 20 0 CAADMP Cn1nnnc1C[NH2+][C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001019771548 656068795 /nfs/dbraw/zinc/06/87/95/656068795.db2.gz ROTPAHLLKRLBHB-QWRGUYRKSA-N 2 1 293.375 -1.148 20 0 CAADMP CNC(=O)CN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[N@@H+](C)C[C@H]1C ZINC001026044678 656071255 /nfs/dbraw/zinc/07/12/55/656071255.db2.gz QTQUWUIASKWQOL-SSKLVLDBSA-N 2 1 294.399 -1.024 20 0 CAADMP CNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[NH+](C)C[C@H]1C ZINC001026044678 656071258 /nfs/dbraw/zinc/07/12/58/656071258.db2.gz QTQUWUIASKWQOL-SSKLVLDBSA-N 2 1 294.399 -1.024 20 0 CAADMP CNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[NH+](C)C[C@H]1C ZINC001026044678 656071260 /nfs/dbraw/zinc/07/12/60/656071260.db2.gz QTQUWUIASKWQOL-SSKLVLDBSA-N 2 1 294.399 -1.024 20 0 CAADMP CNC(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[N@H+](C)C[C@H]1C ZINC001026044678 656071261 /nfs/dbraw/zinc/07/12/61/656071261.db2.gz QTQUWUIASKWQOL-SSKLVLDBSA-N 2 1 294.399 -1.024 20 0 CAADMP CNC(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[N@@H+](C)C[C@H]1C ZINC001026044678 656071263 /nfs/dbraw/zinc/07/12/63/656071263.db2.gz QTQUWUIASKWQOL-SSKLVLDBSA-N 2 1 294.399 -1.024 20 0 CAADMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N[C@@H]1[C@H]2CN(CC(N)=O)C[C@H]21 ZINC001026045122 656071279 /nfs/dbraw/zinc/07/12/79/656071279.db2.gz WWXAUMLTABYLBF-VLLVSFFDSA-N 2 1 280.372 -1.284 20 0 CAADMP C[C@H]1C[N@H+](C)C[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+](CC(N)=O)C[C@H]21 ZINC001026045122 656071280 /nfs/dbraw/zinc/07/12/80/656071280.db2.gz WWXAUMLTABYLBF-VLLVSFFDSA-N 2 1 280.372 -1.284 20 0 CAADMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+](CC(N)=O)C[C@H]21 ZINC001026045122 656071281 /nfs/dbraw/zinc/07/12/81/656071281.db2.gz WWXAUMLTABYLBF-VLLVSFFDSA-N 2 1 280.372 -1.284 20 0 CAADMP C[C@H]1C[NH+](C)C[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CC(N)=O)C[C@H]21 ZINC001026045122 656071284 /nfs/dbraw/zinc/07/12/84/656071284.db2.gz WWXAUMLTABYLBF-VLLVSFFDSA-N 2 1 280.372 -1.284 20 0 CAADMP C[C@H]1C[NH+](C)C[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(N)=O)C[C@H]21 ZINC001026045122 656071286 /nfs/dbraw/zinc/07/12/86/656071286.db2.gz WWXAUMLTABYLBF-VLLVSFFDSA-N 2 1 280.372 -1.284 20 0 CAADMP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2[C@H]3C[NH+]([C@H]4CCNC4=O)C[C@H]32)C1 ZINC001026145925 656071975 /nfs/dbraw/zinc/07/19/75/656071975.db2.gz YEVDKETVKFFRSQ-BNDIWNMDSA-N 2 1 292.383 -1.127 20 0 CAADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2[C@H]3C[N@@H+]([C@H]4CCNC4=O)C[C@H]32)C1 ZINC001026145925 656071979 /nfs/dbraw/zinc/07/19/79/656071979.db2.gz YEVDKETVKFFRSQ-BNDIWNMDSA-N 2 1 292.383 -1.127 20 0 CAADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2[C@H]3C[N@H+]([C@H]4CCNC4=O)C[C@H]32)C1 ZINC001026145925 656071982 /nfs/dbraw/zinc/07/19/82/656071982.db2.gz YEVDKETVKFFRSQ-BNDIWNMDSA-N 2 1 292.383 -1.127 20 0 CAADMP C[NH+]1CCN(C(=O)CN[C@H]2C[NH2+]CCOC2)CC1 ZINC000925615686 656076090 /nfs/dbraw/zinc/07/60/90/656076090.db2.gz HRVZDNNULOPXPT-NSHDSACASA-N 2 1 256.350 -1.662 20 0 CAADMP COCC[N@@H+](C)C[C@@H](O)CN1CCCO[C@@H](C[NH3+])C1 ZINC000313374273 656081395 /nfs/dbraw/zinc/08/13/95/656081395.db2.gz KSGJEFTZVGYOFA-OLZOCXBDSA-N 2 1 275.393 -1.025 20 0 CAADMP COCC[N@@H+](C)C[C@H](O)CN1CCCO[C@H](C[NH3+])C1 ZINC000313374274 656081462 /nfs/dbraw/zinc/08/14/62/656081462.db2.gz KSGJEFTZVGYOFA-QWHCGFSZSA-N 2 1 275.393 -1.025 20 0 CAADMP CN1CCO[C@@H](C(=O)N2CCC[C@@H]([N@H+](C)CC(N)=O)C2)C1 ZINC001027347576 656083109 /nfs/dbraw/zinc/08/31/09/656083109.db2.gz XGIVWOWHSKNMNL-VXGBXAGGSA-N 2 1 298.387 -1.275 20 0 CAADMP CN1CCO[C@@H](C(=O)N2CCC[C@@H]([N@@H+](C)CC(N)=O)C2)C1 ZINC001027347576 656083111 /nfs/dbraw/zinc/08/31/11/656083111.db2.gz XGIVWOWHSKNMNL-VXGBXAGGSA-N 2 1 298.387 -1.275 20 0 CAADMP NC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC000978956621 656093900 /nfs/dbraw/zinc/09/39/00/656093900.db2.gz FMOQHSXTUVYWTD-CNDDSTCGSA-N 2 1 292.383 -1.139 20 0 CAADMP CNC(=O)C[N@H+]1CC[C@H](CNC(=O)[C@@H]2CN(C)CCO2)C1 ZINC001028461145 656114531 /nfs/dbraw/zinc/11/45/31/656114531.db2.gz KWPYXQHWMVWHBB-NEPJUHHUSA-N 2 1 298.387 -1.499 20 0 CAADMP CNC(=O)CN1CC[C@H](CNC(=O)[C@@H]2CN(C)CCO2)C1 ZINC001028461145 656114534 /nfs/dbraw/zinc/11/45/34/656114534.db2.gz KWPYXQHWMVWHBB-NEPJUHHUSA-N 2 1 298.387 -1.499 20 0 CAADMP CN1CCO[C@H](C(=O)NC[C@@H]2CC[N@@H+](CCO)C2)C1 ZINC001028461269 656114626 /nfs/dbraw/zinc/11/46/26/656114626.db2.gz NIMKHFINKWSWSJ-RYUDHWBXSA-N 2 1 271.361 -1.253 20 0 CAADMP C[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2CC[NH+](CCO)C2)C1 ZINC001028461269 656114627 /nfs/dbraw/zinc/11/46/27/656114627.db2.gz NIMKHFINKWSWSJ-RYUDHWBXSA-N 2 1 271.361 -1.253 20 0 CAADMP C[N@H+]1CCO[C@H](C(=O)NC[C@@H]2CC[NH+](CCO)C2)C1 ZINC001028461269 656114628 /nfs/dbraw/zinc/11/46/28/656114628.db2.gz NIMKHFINKWSWSJ-RYUDHWBXSA-N 2 1 271.361 -1.253 20 0 CAADMP C[NH+]1CCO[C@H](C(=O)NC[C@@H]2CC[N@H+](CCO)C2)C1 ZINC001028461269 656114631 /nfs/dbraw/zinc/11/46/31/656114631.db2.gz NIMKHFINKWSWSJ-RYUDHWBXSA-N 2 1 271.361 -1.253 20 0 CAADMP C[NH+]1CCO[C@H](C(=O)NC[C@@H]2CC[N@@H+](CCO)C2)C1 ZINC001028461269 656114632 /nfs/dbraw/zinc/11/46/32/656114632.db2.gz NIMKHFINKWSWSJ-RYUDHWBXSA-N 2 1 271.361 -1.253 20 0 CAADMP CN1CCO[C@H](C(=O)NC[C@H]2CC[N@@H+](CC(N)=O)C2)C1 ZINC001028466850 656114891 /nfs/dbraw/zinc/11/48/91/656114891.db2.gz SWFKMLSXRFETOA-MNOVXSKESA-N 2 1 284.360 -1.760 20 0 CAADMP CN1CCO[C@H](C(=O)NC[C@H]2CCN(CC(N)=O)C2)C1 ZINC001028466850 656114892 /nfs/dbraw/zinc/11/48/92/656114892.db2.gz SWFKMLSXRFETOA-MNOVXSKESA-N 2 1 284.360 -1.760 20 0 CAADMP C[C@@H]1CN(C)C[C@H](C(=O)NC[C@H]2CC[N@@H+](CC(N)=O)C2)O1 ZINC001028627774 656117727 /nfs/dbraw/zinc/11/77/27/656117727.db2.gz IDDFKTFZXOXFFY-IJLUTSLNSA-N 2 1 298.387 -1.371 20 0 CAADMP C[C@@H]1CN(C)C[C@H](C(=O)NC[C@@H]2CC[N@@H+](CC(N)=O)C2)O1 ZINC001028627773 656117788 /nfs/dbraw/zinc/11/77/88/656117788.db2.gz IDDFKTFZXOXFFY-GRYCIOLGSA-N 2 1 298.387 -1.371 20 0 CAADMP CN1C[C@@H](O)C[C@@]1(C)C(=O)NC[C@H]1C[C@@H](O)C[N@H+]1C ZINC000924973720 656121906 /nfs/dbraw/zinc/12/19/06/656121906.db2.gz FNXFFUXASMJQNT-DCQANWLSSA-N 2 1 271.361 -1.377 20 0 CAADMP CCN1CCO[C@@H](C(=O)NC[C@H]2CC[N@@H+](CC(N)=O)C2)C1 ZINC001028996943 656123742 /nfs/dbraw/zinc/12/37/42/656123742.db2.gz MHGKFDLYMSLVNQ-VXGBXAGGSA-N 2 1 298.387 -1.370 20 0 CAADMP C[N@H+]1CC[C@@H](C(=O)NC[C@@H]2CC[NH+](CC(N)=O)C2)C1 ZINC001028985033 656123793 /nfs/dbraw/zinc/12/37/93/656123793.db2.gz HDBZKBICSQHZTD-WDEREUQCSA-N 2 1 268.361 -1.139 20 0 CAADMP C[NH+]1CC[C@@H](C(=O)NC[C@@H]2CC[N@H+](CC(N)=O)C2)C1 ZINC001028985033 656123794 /nfs/dbraw/zinc/12/37/94/656123794.db2.gz HDBZKBICSQHZTD-WDEREUQCSA-N 2 1 268.361 -1.139 20 0 CAADMP C[NH+]1CC[C@@H](C(=O)NC[C@@H]2CC[N@@H+](CC(N)=O)C2)C1 ZINC001028985033 656123796 /nfs/dbraw/zinc/12/37/96/656123796.db2.gz HDBZKBICSQHZTD-WDEREUQCSA-N 2 1 268.361 -1.139 20 0 CAADMP CCN1CCO[C@@H](C(=O)NC[C@@H]2CC[N@@H+](CC(N)=O)C2)C1 ZINC001028996941 656124005 /nfs/dbraw/zinc/12/40/05/656124005.db2.gz MHGKFDLYMSLVNQ-NWDGAFQWSA-N 2 1 298.387 -1.370 20 0 CAADMP C[N@H+]1CC[C@H](C(=O)NC[C@@H]2CC[NH+](CC(N)=O)C2)C1 ZINC001028985032 656124091 /nfs/dbraw/zinc/12/40/91/656124091.db2.gz HDBZKBICSQHZTD-QWRGUYRKSA-N 2 1 268.361 -1.139 20 0 CAADMP C[NH+]1CC[C@H](C(=O)NC[C@@H]2CC[N@H+](CC(N)=O)C2)C1 ZINC001028985032 656124093 /nfs/dbraw/zinc/12/40/93/656124093.db2.gz HDBZKBICSQHZTD-QWRGUYRKSA-N 2 1 268.361 -1.139 20 0 CAADMP C[NH+]1CC[C@H](C(=O)NC[C@@H]2CC[N@@H+](CC(N)=O)C2)C1 ZINC001028985032 656124095 /nfs/dbraw/zinc/12/40/95/656124095.db2.gz HDBZKBICSQHZTD-QWRGUYRKSA-N 2 1 268.361 -1.139 20 0 CAADMP CN1CCO[C@H](C(=O)N[C@H]2CCC[N@@H+](CCO)C2)C1 ZINC001007005923 656129821 /nfs/dbraw/zinc/12/98/21/656129821.db2.gz AAOLDGBCNLXSNY-RYUDHWBXSA-N 2 1 271.361 -1.110 20 0 CAADMP CN1CCO[C@H](C(=O)N[C@H]2CCCN(CCO)C2)C1 ZINC001007005923 656129826 /nfs/dbraw/zinc/12/98/26/656129826.db2.gz AAOLDGBCNLXSNY-RYUDHWBXSA-N 2 1 271.361 -1.110 20 0 CAADMP C[C@H]1C[C@@H]([NH2+]CC(N)=O)CN1C(=O)CC[NH+]1CCOCC1 ZINC000989559650 656149886 /nfs/dbraw/zinc/14/98/86/656149886.db2.gz UAHXDIXNFJDRIX-NWDGAFQWSA-N 2 1 298.387 -1.227 20 0 CAADMP C[C@@H]([NH2+]C1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1)C(N)=O ZINC000990571536 656162385 /nfs/dbraw/zinc/16/23/85/656162385.db2.gz UQMWLKHBBSKRAT-PWSUYJOCSA-N 2 1 298.387 -1.229 20 0 CAADMP C[C@@H]([NH2+]C1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1)C(N)=O ZINC000990571536 656162386 /nfs/dbraw/zinc/16/23/86/656162386.db2.gz UQMWLKHBBSKRAT-PWSUYJOCSA-N 2 1 298.387 -1.229 20 0 CAADMP C[N@@H+]1CCO[C@@H](C(=O)N2CCC([NH2+]CCO)CC2)C1 ZINC000990571447 656162491 /nfs/dbraw/zinc/16/24/91/656162491.db2.gz UEMMSSVQTBHJJX-GFCCVEGCSA-N 2 1 271.361 -1.110 20 0 CAADMP C[N@H+]1CCO[C@@H](C(=O)N2CCC([NH2+]CCO)CC2)C1 ZINC000990571447 656162493 /nfs/dbraw/zinc/16/24/93/656162493.db2.gz UEMMSSVQTBHJJX-GFCCVEGCSA-N 2 1 271.361 -1.110 20 0 CAADMP C[N@@H+]1CCC[C@](O)(CC(=O)N2CC[NH+](CCO)CC2)C1 ZINC000900147934 656164807 /nfs/dbraw/zinc/16/48/07/656164807.db2.gz ZINWXMLCBADKNH-AWEZNQCLSA-N 2 1 285.388 -1.030 20 0 CAADMP C[N@H+]1CCC[C@](O)(CC(=O)N2CC[NH+](CCO)CC2)C1 ZINC000900147934 656164824 /nfs/dbraw/zinc/16/48/24/656164824.db2.gz ZINWXMLCBADKNH-AWEZNQCLSA-N 2 1 285.388 -1.030 20 0 CAADMP C[N@@H+]1CCC[C@@](O)(CC(=O)N2CC[NH+](CCO)CC2)C1 ZINC000900147935 656165115 /nfs/dbraw/zinc/16/51/15/656165115.db2.gz ZINWXMLCBADKNH-CQSZACIVSA-N 2 1 285.388 -1.030 20 0 CAADMP C[N@H+]1CCC[C@@](O)(CC(=O)N2CC[NH+](CCO)CC2)C1 ZINC000900147935 656165117 /nfs/dbraw/zinc/16/51/17/656165117.db2.gz ZINWXMLCBADKNH-CQSZACIVSA-N 2 1 285.388 -1.030 20 0 CAADMP C[NH+](C)C[C@](C)(O)CNC(=O)[C@]1(C)C[C@H](O)C[N@@H+]1C ZINC000901186291 656178512 /nfs/dbraw/zinc/17/85/12/656178512.db2.gz LRSYTGRQEMIEEZ-UHTWSYAYSA-N 2 1 273.377 -1.130 20 0 CAADMP C[NH+](C)C[C@](C)(O)CNC(=O)[C@]1(C)C[C@H](O)C[N@H+]1C ZINC000901186291 656178516 /nfs/dbraw/zinc/17/85/16/656178516.db2.gz LRSYTGRQEMIEEZ-UHTWSYAYSA-N 2 1 273.377 -1.130 20 0 CAADMP C[NH+](C)C[C@](C)(O)CNC(=O)[C@@]1(C)C[C@@H](O)C[N@@H+]1C ZINC000901186285 656178542 /nfs/dbraw/zinc/17/85/42/656178542.db2.gz LRSYTGRQEMIEEZ-RAIGVLPGSA-N 2 1 273.377 -1.130 20 0 CAADMP C[NH+](C)C[C@](C)(O)CNC(=O)[C@@]1(C)C[C@@H](O)C[N@H+]1C ZINC000901186285 656178543 /nfs/dbraw/zinc/17/85/43/656178543.db2.gz LRSYTGRQEMIEEZ-RAIGVLPGSA-N 2 1 273.377 -1.130 20 0 CAADMP COCC[C@H]1C[NH2+]CCN1S(=O)(=O)N1CC[NH2+]CC1 ZINC000903576439 656185125 /nfs/dbraw/zinc/18/51/25/656185125.db2.gz RYVXKENOJHTIHR-NSHDSACASA-N 2 1 292.405 -1.553 20 0 CAADMP COC[C@H]1C[NH2+]CCN1S(=O)(=O)[C@H]1CCC[NH2+]C1 ZINC000903598034 656186208 /nfs/dbraw/zinc/18/62/08/656186208.db2.gz HICUPIJLOXLCFM-MNOVXSKESA-N 2 1 277.390 -1.012 20 0 CAADMP C[NH2+]C[C@](C)(O)C[N@H+]1C[C@@H](C)[C@H](CS(N)(=O)=O)C1 ZINC000903826294 656186909 /nfs/dbraw/zinc/18/69/09/656186909.db2.gz HLSYVQAUFBZYDZ-VWYCJHECSA-N 2 1 279.406 -1.187 20 0 CAADMP O=C(CC[N@H+]1CCOC[C@H]1CCO)N1CC[NH2+]CC1 ZINC000903830271 656187347 /nfs/dbraw/zinc/18/73/47/656187347.db2.gz XTYASYJSPBTSHJ-GFCCVEGCSA-N 2 1 271.361 -1.109 20 0 CAADMP O=C(CC[N@@H+]1CCOC[C@H]1CCO)N1CC[NH2+]CC1 ZINC000903830271 656187349 /nfs/dbraw/zinc/18/73/49/656187349.db2.gz XTYASYJSPBTSHJ-GFCCVEGCSA-N 2 1 271.361 -1.109 20 0 CAADMP C[NH+]1C[C@@H](O)C[C@@]1(C)C(=O)NC[C@@]1(O)CC[N@@H+](C)C1 ZINC000907386963 656197676 /nfs/dbraw/zinc/19/76/76/656197676.db2.gz HDRWFCFIHSUHDV-DRZSPHRISA-N 2 1 271.361 -1.376 20 0 CAADMP C[NH+]1C[C@@H](O)C[C@@]1(C)C(=O)NC[C@@]1(O)CC[N@H+](C)C1 ZINC000907386963 656197678 /nfs/dbraw/zinc/19/76/78/656197678.db2.gz HDRWFCFIHSUHDV-DRZSPHRISA-N 2 1 271.361 -1.376 20 0 CAADMP C[NH+]1CC[C@](O)(CNC(=O)[C@]2(C)C[C@H](O)C[N@@H+]2C)C1 ZINC000907386963 656197679 /nfs/dbraw/zinc/19/76/79/656197679.db2.gz HDRWFCFIHSUHDV-DRZSPHRISA-N 2 1 271.361 -1.376 20 0 CAADMP C[NH+]1CC[C@](O)(CNC(=O)[C@]2(C)C[C@H](O)C[N@H+]2C)C1 ZINC000907386963 656197681 /nfs/dbraw/zinc/19/76/81/656197681.db2.gz HDRWFCFIHSUHDV-DRZSPHRISA-N 2 1 271.361 -1.376 20 0 CAADMP CC[N@@H+](CCO)CCNC(=O)[C@@]1(C)C[C@H](O)C[NH+]1C ZINC000907440676 656197693 /nfs/dbraw/zinc/19/76/93/656197693.db2.gz MGQBNXWDXGCHHI-WCQYABFASA-N 2 1 273.377 -1.128 20 0 CAADMP CC[NH+](CCO)CCNC(=O)[C@@]1(C)C[C@H](O)C[N@@H+]1C ZINC000907440676 656197696 /nfs/dbraw/zinc/19/76/96/656197696.db2.gz MGQBNXWDXGCHHI-WCQYABFASA-N 2 1 273.377 -1.128 20 0 CAADMP CC[NH+](CCO)CCNC(=O)[C@@]1(C)C[C@H](O)C[N@H+]1C ZINC000907440676 656197701 /nfs/dbraw/zinc/19/77/01/656197701.db2.gz MGQBNXWDXGCHHI-WCQYABFASA-N 2 1 273.377 -1.128 20 0 CAADMP CC[N@@H+](CCO)CCNC(=O)[C@@]1(C)C[C@@H](O)C[NH+]1C ZINC000907440675 656197818 /nfs/dbraw/zinc/19/78/18/656197818.db2.gz MGQBNXWDXGCHHI-DGCLKSJQSA-N 2 1 273.377 -1.128 20 0 CAADMP CC[NH+](CCO)CCNC(=O)[C@@]1(C)C[C@@H](O)C[N@@H+]1C ZINC000907440675 656197823 /nfs/dbraw/zinc/19/78/23/656197823.db2.gz MGQBNXWDXGCHHI-DGCLKSJQSA-N 2 1 273.377 -1.128 20 0 CAADMP CC[NH+](CCO)CCNC(=O)[C@@]1(C)C[C@@H](O)C[N@H+]1C ZINC000907440675 656197828 /nfs/dbraw/zinc/19/78/28/656197828.db2.gz MGQBNXWDXGCHHI-DGCLKSJQSA-N 2 1 273.377 -1.128 20 0 CAADMP C[NH+]1C[C@@H](O)C[C@]1(C)C(=O)NC[C@@]1(O)CC[N@@H+](C)C1 ZINC000907386974 656197905 /nfs/dbraw/zinc/19/79/05/656197905.db2.gz HDRWFCFIHSUHDV-UHTWSYAYSA-N 2 1 271.361 -1.376 20 0 CAADMP C[NH+]1C[C@@H](O)C[C@]1(C)C(=O)NC[C@@]1(O)CC[N@H+](C)C1 ZINC000907386974 656197906 /nfs/dbraw/zinc/19/79/06/656197906.db2.gz HDRWFCFIHSUHDV-UHTWSYAYSA-N 2 1 271.361 -1.376 20 0 CAADMP C[NH+]1CC[C@](O)(CNC(=O)[C@@]2(C)C[C@H](O)C[N@@H+]2C)C1 ZINC000907386974 656197909 /nfs/dbraw/zinc/19/79/09/656197909.db2.gz HDRWFCFIHSUHDV-UHTWSYAYSA-N 2 1 271.361 -1.376 20 0 CAADMP C[NH+]1CC[C@](O)(CNC(=O)[C@@]2(C)C[C@H](O)C[N@H+]2C)C1 ZINC000907386974 656197912 /nfs/dbraw/zinc/19/79/12/656197912.db2.gz HDRWFCFIHSUHDV-UHTWSYAYSA-N 2 1 271.361 -1.376 20 0 CAADMP CC[N@@H+](CCO)CCNC(=O)C1CN(C)CC[NH+](C)C1 ZINC000907440195 656197979 /nfs/dbraw/zinc/19/79/79/656197979.db2.gz CXLIRXONRZCTQK-UHFFFAOYSA-N 2 1 286.420 -1.090 20 0 CAADMP CC[NH+](CCO)CCNC(=O)C1CN(C)CC[N@H+](C)C1 ZINC000907440195 656197981 /nfs/dbraw/zinc/19/79/81/656197981.db2.gz CXLIRXONRZCTQK-UHFFFAOYSA-N 2 1 286.420 -1.090 20 0 CAADMP CC[NH+](CCO)CCNC(=O)C1CN(C)CC[N@@H+](C)C1 ZINC000907440195 656197984 /nfs/dbraw/zinc/19/79/84/656197984.db2.gz CXLIRXONRZCTQK-UHFFFAOYSA-N 2 1 286.420 -1.090 20 0 CAADMP C[N@H+]1C[C@H](O)C[C@@]1(C)C(=O)NC[C@@H]1C[NH+]2CCN1CCC2 ZINC000908026697 656205286 /nfs/dbraw/zinc/20/52/86/656205286.db2.gz BBPMOYUDHMGFOF-NFAWXSAZSA-N 2 1 296.415 -1.052 20 0 CAADMP C[NH+]1C[C@H](O)C[C@@]1(C)C(=O)NC[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000908026697 656205290 /nfs/dbraw/zinc/20/52/90/656205290.db2.gz BBPMOYUDHMGFOF-NFAWXSAZSA-N 2 1 296.415 -1.052 20 0 CAADMP C[NH+]1C[C@H](O)C[C@@]1(C)C(=O)NC[C@@H]1C[N@H+]2CCN1CCC2 ZINC000908026697 656205295 /nfs/dbraw/zinc/20/52/95/656205295.db2.gz BBPMOYUDHMGFOF-NFAWXSAZSA-N 2 1 296.415 -1.052 20 0 CAADMP C[N@H+]1C[C@H](O)C[C@@]1(C)C(=O)NC[C@H]1C[NH+]2CCN1CCC2 ZINC000908026695 656205510 /nfs/dbraw/zinc/20/55/10/656205510.db2.gz BBPMOYUDHMGFOF-GUTXKFCHSA-N 2 1 296.415 -1.052 20 0 CAADMP C[NH+]1C[C@H](O)C[C@@]1(C)C(=O)NC[C@H]1C[N@@H+]2CCN1CCC2 ZINC000908026695 656205511 /nfs/dbraw/zinc/20/55/11/656205511.db2.gz BBPMOYUDHMGFOF-GUTXKFCHSA-N 2 1 296.415 -1.052 20 0 CAADMP C[NH+]1C[C@H](O)C[C@@]1(C)C(=O)NC[C@H]1C[N@H+]2CCN1CCC2 ZINC000908026695 656205513 /nfs/dbraw/zinc/20/55/13/656205513.db2.gz BBPMOYUDHMGFOF-GUTXKFCHSA-N 2 1 296.415 -1.052 20 0 CAADMP C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)NC[C@H]1C[NH+]2CCN1CCC2 ZINC000908026696 656205752 /nfs/dbraw/zinc/20/57/52/656205752.db2.gz BBPMOYUDHMGFOF-GZBFAFLISA-N 2 1 296.415 -1.052 20 0 CAADMP C[NH+]1C[C@H](O)C[C@]1(C)C(=O)NC[C@H]1C[N@@H+]2CCN1CCC2 ZINC000908026696 656205755 /nfs/dbraw/zinc/20/57/55/656205755.db2.gz BBPMOYUDHMGFOF-GZBFAFLISA-N 2 1 296.415 -1.052 20 0 CAADMP C[NH+]1C[C@H](O)C[C@]1(C)C(=O)NC[C@H]1C[N@H+]2CCN1CCC2 ZINC000908026696 656205758 /nfs/dbraw/zinc/20/57/58/656205758.db2.gz BBPMOYUDHMGFOF-GZBFAFLISA-N 2 1 296.415 -1.052 20 0 CAADMP C[NH+](C)C[C@H](CO)NC(=O)[C@]1(C)C[C@H](O)C[N@H+]1C ZINC000908200325 656210440 /nfs/dbraw/zinc/21/04/40/656210440.db2.gz IRZHNNHGESSEJF-SCVCMEIPSA-N 2 1 259.350 -1.520 20 0 CAADMP C[NH+](C)C[C@H](CO)NC(=O)C[C@]1(O)CCC[N@@H+](C)C1 ZINC000908201074 656210464 /nfs/dbraw/zinc/21/04/64/656210464.db2.gz NTZFMKVFXKKFIA-DGCLKSJQSA-N 2 1 273.377 -1.128 20 0 CAADMP C[NH+](C)C[C@H](CO)NC(=O)[C@@]1(C)C[C@H](O)C[N@H+]1C ZINC000908200324 656210629 /nfs/dbraw/zinc/21/06/29/656210629.db2.gz IRZHNNHGESSEJF-JFGNBEQYSA-N 2 1 259.350 -1.520 20 0 CAADMP C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)NCC[N@@H+](C)C1CC1 ZINC000911055002 656232956 /nfs/dbraw/zinc/23/29/56/656232956.db2.gz YQZJNTCYFMYQGC-MWLCHTKSSA-N 2 1 268.361 -1.079 20 0 CAADMP C[N@@H+](CCNC(=O)C(=O)N1CCNCC[NH2+]CC1)C1CC1 ZINC000911052812 656233133 /nfs/dbraw/zinc/23/31/33/656233133.db2.gz HQCHAWFMKIYXCJ-UHFFFAOYSA-N 2 1 297.403 -1.782 20 0 CAADMP C[C@@H](CNC(=O)C(=O)NCC1([NH3+])CC1)C[NH+]1CCOCC1 ZINC000911137984 656234889 /nfs/dbraw/zinc/23/48/89/656234889.db2.gz JXWOHZONGSWNLK-NSHDSACASA-N 2 1 298.387 -1.322 20 0 CAADMP [NH3+]C1(CNC(=O)C(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC000911147837 656235275 /nfs/dbraw/zinc/23/52/75/656235275.db2.gz KKGMMMGMXZCPCE-QWRGUYRKSA-N 2 1 296.371 -1.427 20 0 CAADMP C[C@@H](NC(=O)C(=O)N[C@@H]1C[NH2+]C[C@H]1C)[C@@H]1C[N@H+](C)CCO1 ZINC000911163263 656235558 /nfs/dbraw/zinc/23/55/58/656235558.db2.gz UKGSNDFNRUBRRQ-KKOKHZNYSA-N 2 1 298.387 -1.454 20 0 CAADMP C[C@@H](NC(=O)C(=O)N[C@@H]1C[NH2+]C[C@H]1C)[C@@H]1C[N@@H+](C)CCO1 ZINC000911163263 656235560 /nfs/dbraw/zinc/23/55/60/656235560.db2.gz UKGSNDFNRUBRRQ-KKOKHZNYSA-N 2 1 298.387 -1.454 20 0 CAADMP COCC[N@@H+](C)CCNC(=O)C(=O)NCC1([NH3+])CC1 ZINC000911154464 656235582 /nfs/dbraw/zinc/23/55/82/656235582.db2.gz AVRQZEOZWHURAW-UHFFFAOYSA-N 2 1 272.349 -1.712 20 0 CAADMP C[C@H](NC(=O)C(=O)N[C@@H]1C[NH2+]C[C@H]1C)[C@@H]1C[N@H+](C)CCO1 ZINC000911163264 656235673 /nfs/dbraw/zinc/23/56/73/656235673.db2.gz UKGSNDFNRUBRRQ-KXNHARMFSA-N 2 1 298.387 -1.454 20 0 CAADMP C[C@H](NC(=O)C(=O)N[C@@H]1C[NH2+]C[C@H]1C)[C@@H]1C[N@@H+](C)CCO1 ZINC000911163264 656235674 /nfs/dbraw/zinc/23/56/74/656235674.db2.gz UKGSNDFNRUBRRQ-KXNHARMFSA-N 2 1 298.387 -1.454 20 0 CAADMP COCC[N@@H+](C)CCNC(=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000911154808 656235780 /nfs/dbraw/zinc/23/57/80/656235780.db2.gz DXKNDORBTJROPU-QJPTWQEYSA-N 2 1 298.387 -1.310 20 0 CAADMP C[C@@H](NC(=O)C(=O)N1C[C@@H](C)[C@H]([NH3+])C1)[C@@H]1C[N@H+](C)CCO1 ZINC000911161650 656235791 /nfs/dbraw/zinc/23/57/91/656235791.db2.gz KHNWBNABJXNWRC-KKOKHZNYSA-N 2 1 298.387 -1.373 20 0 CAADMP C[C@@H](NC(=O)C(=O)N1C[C@@H](C)[C@H]([NH3+])C1)[C@@H]1C[N@@H+](C)CCO1 ZINC000911161650 656235793 /nfs/dbraw/zinc/23/57/93/656235793.db2.gz KHNWBNABJXNWRC-KKOKHZNYSA-N 2 1 298.387 -1.373 20 0 CAADMP COCC[N@@H+](C)CCNC(=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000911154807 656235977 /nfs/dbraw/zinc/23/59/77/656235977.db2.gz DXKNDORBTJROPU-GRYCIOLGSA-N 2 1 298.387 -1.310 20 0 CAADMP COCC[N@@H+](C)CCNC(=O)C(=O)N[C@@H]1C[NH2+]C[C@H]1C ZINC000911158414 656236077 /nfs/dbraw/zinc/23/60/77/656236077.db2.gz YUWARMGURGFEFV-GHMZBOCLSA-N 2 1 286.376 -1.595 20 0 CAADMP C[C@H](NC(=O)C(=O)NCC1([NH3+])CC1)[C@@H]1C[N@H+](C)CCO1 ZINC000911161359 656236142 /nfs/dbraw/zinc/23/61/42/656236142.db2.gz ISEYMAPXCLXWKJ-UWVGGRQHSA-N 2 1 284.360 -1.571 20 0 CAADMP C[C@H](NC(=O)C(=O)NCC1([NH3+])CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000911161359 656236145 /nfs/dbraw/zinc/23/61/45/656236145.db2.gz ISEYMAPXCLXWKJ-UWVGGRQHSA-N 2 1 284.360 -1.571 20 0 CAADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)NCC1([NH3+])CC1 ZINC000911194205 656236555 /nfs/dbraw/zinc/23/65/55/656236555.db2.gz NDMRBOOBNFPDQM-LLVKDONJSA-N 2 1 298.387 -1.179 20 0 CAADMP COCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CCC[C@H]([NH3+])C2)C1 ZINC000911240303 656237786 /nfs/dbraw/zinc/23/77/86/656237786.db2.gz IPZXNHHVPLVVLJ-RYUDHWBXSA-N 2 1 298.387 -1.227 20 0 CAADMP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CCC[C@H]([NH3+])C2)C1 ZINC000911240302 656238118 /nfs/dbraw/zinc/23/81/18/656238118.db2.gz IPZXNHHVPLVVLJ-NWDGAFQWSA-N 2 1 298.387 -1.227 20 0 CAADMP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)N[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000911236446 656238298 /nfs/dbraw/zinc/23/82/98/656238298.db2.gz QYRYSJZRFAKMES-IJLUTSLNSA-N 2 1 298.387 -1.453 20 0 CAADMP COCC[N@@H+](C)CCCNC(=O)C(=O)NCC1([NH3+])CC1 ZINC000911230808 656238972 /nfs/dbraw/zinc/23/89/72/656238972.db2.gz IGMZZFZZFYNFJE-UHFFFAOYSA-N 2 1 286.376 -1.322 20 0 CAADMP C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)NCCC[NH+]1CCOCC1 ZINC000911248678 656238994 /nfs/dbraw/zinc/23/89/94/656238994.db2.gz ZSYZAWHGFNCZRD-VXGBXAGGSA-N 2 1 298.387 -1.451 20 0 CAADMP [NH3+]CCCNC(=O)C(=O)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC000911265172 656239524 /nfs/dbraw/zinc/23/95/24/656239524.db2.gz AKSVLAUNMLJJSX-NWDGAFQWSA-N 2 1 298.387 -1.491 20 0 CAADMP [NH3+]CCCNC(=O)C(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC000911265171 656239697 /nfs/dbraw/zinc/23/96/97/656239697.db2.gz AKSVLAUNMLJJSX-NEPJUHHUSA-N 2 1 298.387 -1.491 20 0 CAADMP C[N@H+]1C[C@@H]2CN(C(=O)C(=O)N[C@H]3CC[NH2+]C3)C[C@]2(C)C1 ZINC000911272970 656239808 /nfs/dbraw/zinc/23/98/08/656239808.db2.gz HBJZRKBUTRITOC-SUNKGSAMSA-N 2 1 280.372 -1.125 20 0 CAADMP [NH3+]CCCNC(=O)C(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC000911265174 656239832 /nfs/dbraw/zinc/23/98/32/656239832.db2.gz AKSVLAUNMLJJSX-VXGBXAGGSA-N 2 1 298.387 -1.491 20 0 CAADMP [NH3+]CCNC(=O)C(=O)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC000911268067 656240385 /nfs/dbraw/zinc/24/03/85/656240385.db2.gz UILGPNIITOOFOL-QWRGUYRKSA-N 2 1 284.360 -1.881 20 0 CAADMP [NH3+]CCNC(=O)C(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC000911268065 656240465 /nfs/dbraw/zinc/24/04/65/656240465.db2.gz UILGPNIITOOFOL-MNOVXSKESA-N 2 1 284.360 -1.881 20 0 CAADMP C[C@H](C[NH3+])NC(=O)C(=O)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC000911299037 656240604 /nfs/dbraw/zinc/24/06/04/656240604.db2.gz YZHQAGKMWNSFQB-GRYCIOLGSA-N 2 1 298.387 -1.493 20 0 CAADMP O=C(NC1C[NH2+]C1)C(=O)N[C@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000911286896 656241471 /nfs/dbraw/zinc/24/14/71/656241471.db2.gz AHEYHARAQVCCAS-QWRGUYRKSA-N 2 1 298.412 -1.230 20 0 CAADMP O=C(NC1C[NH2+]C1)C(=O)N[C@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC000911286896 656241475 /nfs/dbraw/zinc/24/14/75/656241475.db2.gz AHEYHARAQVCCAS-QWRGUYRKSA-N 2 1 298.412 -1.230 20 0 CAADMP C[N@H+]1C[C@@H]2CN(C(=O)C(=O)NCC3C[NH2+]C3)C[C@]2(C)C1 ZINC000911287822 656241808 /nfs/dbraw/zinc/24/18/08/656241808.db2.gz IXHXPCDTYKPMMY-RISCZKNCSA-N 2 1 280.372 -1.268 20 0 CAADMP CC1(C)CC[N@@H+](CCNC(=O)C(=O)NC2C[NH2+]C2)C1 ZINC000911287720 656241847 /nfs/dbraw/zinc/24/18/47/656241847.db2.gz DYDLKTHWOVJIQW-UHFFFAOYSA-N 2 1 268.361 -1.078 20 0 CAADMP C[N@H+]1C[C@@H]2CN(C(=O)C(=O)NC3C[NH2+]C3)C[C@]2(C)C1 ZINC000911288239 656241892 /nfs/dbraw/zinc/24/18/92/656241892.db2.gz OIWMHBJHLJTFBW-RNCFNFMXSA-N 2 1 266.345 -1.516 20 0 CAADMP C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000911370025 656242920 /nfs/dbraw/zinc/24/29/20/656242920.db2.gz LNQPUTQTSPYYPX-OUAUKWLOSA-N 2 1 268.361 -1.079 20 0 CAADMP C[N@H+]1CCC[C@@H](NC(=O)C(=O)NCC2([NH3+])CC2)C1 ZINC000911506391 656248860 /nfs/dbraw/zinc/24/88/60/656248860.db2.gz MNSINZZCEZDADG-SECBINFHSA-N 2 1 254.334 -1.196 20 0 CAADMP CN1CC[N@H+](C)CC(C(=O)N2CC([NH+]3CC[C@@H](O)C3)C2)C1 ZINC000911905528 656255794 /nfs/dbraw/zinc/25/57/94/656255794.db2.gz SMMDDIFFOBRPML-CQSZACIVSA-N 2 1 296.415 -1.243 20 0 CAADMP CN1CC[N@@H+](C)CC(C(=O)N2CC([NH+]3CC[C@@H](O)C3)C2)C1 ZINC000911905528 656255799 /nfs/dbraw/zinc/25/57/99/656255799.db2.gz SMMDDIFFOBRPML-CQSZACIVSA-N 2 1 296.415 -1.243 20 0 CAADMP CN1CC[NH+](C)CC(C(=O)N2CC([N@@H+]3CC[C@@H](O)C3)C2)C1 ZINC000911905528 656255802 /nfs/dbraw/zinc/25/58/02/656255802.db2.gz SMMDDIFFOBRPML-CQSZACIVSA-N 2 1 296.415 -1.243 20 0 CAADMP CN1CC[NH+](C)CC(C(=O)N2CC([N@H+]3CC[C@@H](O)C3)C2)C1 ZINC000911905528 656255803 /nfs/dbraw/zinc/25/58/03/656255803.db2.gz SMMDDIFFOBRPML-CQSZACIVSA-N 2 1 296.415 -1.243 20 0 CAADMP CN1CC[N@@H+](C)CC(C(=O)N2CC[NH+]3C[C@H](O)C[C@H]3C2)C1 ZINC000912053877 656256836 /nfs/dbraw/zinc/25/68/36/656256836.db2.gz DWMHVYQJQRNERM-UONOGXRCSA-N 2 1 296.415 -1.243 20 0 CAADMP CN1CC[NH+](C)CC(C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)C1 ZINC000912053877 656256843 /nfs/dbraw/zinc/25/68/43/656256843.db2.gz DWMHVYQJQRNERM-UONOGXRCSA-N 2 1 296.415 -1.243 20 0 CAADMP CN1CC[NH+](C)CC(C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)C1 ZINC000912053877 656256847 /nfs/dbraw/zinc/25/68/47/656256847.db2.gz DWMHVYQJQRNERM-UONOGXRCSA-N 2 1 296.415 -1.243 20 0 CAADMP C[NH+]1CCC[C@](O)(CC(=O)N2CC[N@@H+](C)C[C@@H]2CO)C1 ZINC000912751740 656267648 /nfs/dbraw/zinc/26/76/48/656267648.db2.gz PYFNGSNZWQAIGG-OCCSQVGLSA-N 2 1 285.388 -1.032 20 0 CAADMP C[NH+]1CCC[C@](O)(CC(=O)N2CC[N@H+](C)C[C@@H]2CO)C1 ZINC000912751740 656267654 /nfs/dbraw/zinc/26/76/54/656267654.db2.gz PYFNGSNZWQAIGG-OCCSQVGLSA-N 2 1 285.388 -1.032 20 0 CAADMP C[NH+]1CCN(C(=O)C[C@@]2(O)CCC[N@H+](C)C2)[C@@H](CO)C1 ZINC000912751740 656267659 /nfs/dbraw/zinc/26/76/59/656267659.db2.gz PYFNGSNZWQAIGG-OCCSQVGLSA-N 2 1 285.388 -1.032 20 0 CAADMP C[NH+]1CCN(C(=O)C[C@@]2(O)CCC[N@@H+](C)C2)[C@@H](CO)C1 ZINC000912751740 656267664 /nfs/dbraw/zinc/26/76/64/656267664.db2.gz PYFNGSNZWQAIGG-OCCSQVGLSA-N 2 1 285.388 -1.032 20 0 CAADMP C[NH+]1CCC[C@@](O)(CC(=O)N2CC[N@@H+](C)C[C@H]2CO)C1 ZINC000912751738 656268091 /nfs/dbraw/zinc/26/80/91/656268091.db2.gz PYFNGSNZWQAIGG-GXTWGEPZSA-N 2 1 285.388 -1.032 20 0 CAADMP C[NH+]1CCC[C@@](O)(CC(=O)N2CC[N@H+](C)C[C@H]2CO)C1 ZINC000912751738 656268094 /nfs/dbraw/zinc/26/80/94/656268094.db2.gz PYFNGSNZWQAIGG-GXTWGEPZSA-N 2 1 285.388 -1.032 20 0 CAADMP C[NH+]1CCN(C(=O)C[C@]2(O)CCC[N@H+](C)C2)[C@H](CO)C1 ZINC000912751738 656268098 /nfs/dbraw/zinc/26/80/98/656268098.db2.gz PYFNGSNZWQAIGG-GXTWGEPZSA-N 2 1 285.388 -1.032 20 0 CAADMP C[NH+]1CCN(C(=O)C[C@]2(O)CCC[N@@H+](C)C2)[C@H](CO)C1 ZINC000912751738 656268101 /nfs/dbraw/zinc/26/81/01/656268101.db2.gz PYFNGSNZWQAIGG-GXTWGEPZSA-N 2 1 285.388 -1.032 20 0 CAADMP C[N@@H+]1CCC[C@H]1C(=O)NC[C@]1(CO)COCC[NH2+]1 ZINC000913178277 656272997 /nfs/dbraw/zinc/27/29/97/656272997.db2.gz DVAGVTASXYQOTE-JQWIXIFHSA-N 2 1 257.334 -1.452 20 0 CAADMP C[N@H+]1CCC[C@H]1C(=O)NC[C@]1(CO)COCC[NH2+]1 ZINC000913178277 656273004 /nfs/dbraw/zinc/27/30/04/656273004.db2.gz DVAGVTASXYQOTE-JQWIXIFHSA-N 2 1 257.334 -1.452 20 0 CAADMP CN1CC[N@@H+](C)CC(C(=O)NCC[NH+]2CC[C@@H](O)C2)C1 ZINC000913171484 656273063 /nfs/dbraw/zinc/27/30/63/656273063.db2.gz MUUXXGZIPISPKI-CYBMUJFWSA-N 2 1 284.404 -1.337 20 0 CAADMP CN1CC[NH+](C)CC(C(=O)NCC[N@@H+]2CC[C@@H](O)C2)C1 ZINC000913171484 656273069 /nfs/dbraw/zinc/27/30/69/656273069.db2.gz MUUXXGZIPISPKI-CYBMUJFWSA-N 2 1 284.404 -1.337 20 0 CAADMP CN1CC[NH+](C)CC(C(=O)NCC[N@H+]2CC[C@@H](O)C2)C1 ZINC000913171484 656273074 /nfs/dbraw/zinc/27/30/74/656273074.db2.gz MUUXXGZIPISPKI-CYBMUJFWSA-N 2 1 284.404 -1.337 20 0 CAADMP O=C(NC[C@@]1(CO)COCC[NH2+]1)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000913178821 656274248 /nfs/dbraw/zinc/27/42/48/656274248.db2.gz KPKNTMSSGXZNNQ-TZMCWYRMSA-N 2 1 299.371 -1.826 20 0 CAADMP O=C(NC[C@@]1(CO)COCC[NH2+]1)C12CC[NH+](CC1)C2 ZINC000913180497 656274406 /nfs/dbraw/zinc/27/44/06/656274406.db2.gz ZSFQXXNQYIRJHU-CYBMUJFWSA-N 2 1 269.345 -1.451 20 0 CAADMP O=C(NC[C@]1(CO)COCC[NH2+]1)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000913178817 656274588 /nfs/dbraw/zinc/27/45/88/656274588.db2.gz KPKNTMSSGXZNNQ-OCCSQVGLSA-N 2 1 299.371 -1.826 20 0 CAADMP CC[C@H](C(=O)NC[C@]1(CO)COCC[NH2+]1)[NH+](C)C ZINC000913187483 656277100 /nfs/dbraw/zinc/27/71/00/656277100.db2.gz ZNAWMBYJTCZASA-PWSUYJOCSA-N 2 1 259.350 -1.206 20 0 CAADMP CC[N@H+](CC(=O)NC[C@@]1(CO)COCC[NH2+]1)C1CC1 ZINC000913184184 656275185 /nfs/dbraw/zinc/27/51/85/656275185.db2.gz ZEXXGFSGAIRKQE-CYBMUJFWSA-N 2 1 271.361 -1.062 20 0 CAADMP CC[N@@H+](CC(=O)NC[C@@]1(CO)COCC[NH2+]1)C1CC1 ZINC000913184184 656275187 /nfs/dbraw/zinc/27/51/87/656275187.db2.gz ZEXXGFSGAIRKQE-CYBMUJFWSA-N 2 1 271.361 -1.062 20 0 CAADMP C[C@@H]1[C@H](C(=O)NC[C@@]2(CO)COCC[NH2+]2)CC[N@@H+]1C ZINC000913183521 656275355 /nfs/dbraw/zinc/27/53/55/656275355.db2.gz IPCXPFCQYMHXJY-NQBHXWOUSA-N 2 1 271.361 -1.206 20 0 CAADMP C[C@@H]1[C@H](C(=O)NC[C@@]2(CO)COCC[NH2+]2)CC[N@H+]1C ZINC000913183521 656275361 /nfs/dbraw/zinc/27/53/61/656275361.db2.gz IPCXPFCQYMHXJY-NQBHXWOUSA-N 2 1 271.361 -1.206 20 0 CAADMP C[C@@H]1[C@H](C(=O)NC[C@]2(CO)COCC[NH2+]2)CC[N@@H+]1C ZINC000913183522 656275642 /nfs/dbraw/zinc/27/56/42/656275642.db2.gz IPCXPFCQYMHXJY-WZRBSPASSA-N 2 1 271.361 -1.206 20 0 CAADMP C[C@@H]1[C@H](C(=O)NC[C@]2(CO)COCC[NH2+]2)CC[N@H+]1C ZINC000913183522 656275644 /nfs/dbraw/zinc/27/56/44/656275644.db2.gz IPCXPFCQYMHXJY-WZRBSPASSA-N 2 1 271.361 -1.206 20 0 CAADMP C[N@@H+]1CC[C@@H](CC(=O)NC[C@@]2(CO)COCC[NH2+]2)C1 ZINC000913184849 656276361 /nfs/dbraw/zinc/27/63/61/656276361.db2.gz UOORVOCDAZGRBM-WCQYABFASA-N 2 1 271.361 -1.205 20 0 CAADMP C[N@H+]1CC[C@@H](CC(=O)NC[C@@]2(CO)COCC[NH2+]2)C1 ZINC000913184849 656276366 /nfs/dbraw/zinc/27/63/66/656276366.db2.gz UOORVOCDAZGRBM-WCQYABFASA-N 2 1 271.361 -1.205 20 0 CAADMP C[N@@H+]1CC[C@H](CC(=O)NC[C@@]2(CO)COCC[NH2+]2)C1 ZINC000913184848 656276726 /nfs/dbraw/zinc/27/67/26/656276726.db2.gz UOORVOCDAZGRBM-DGCLKSJQSA-N 2 1 271.361 -1.205 20 0 CAADMP C[N@H+]1CC[C@H](CC(=O)NC[C@@]2(CO)COCC[NH2+]2)C1 ZINC000913184848 656276729 /nfs/dbraw/zinc/27/67/29/656276729.db2.gz UOORVOCDAZGRBM-DGCLKSJQSA-N 2 1 271.361 -1.205 20 0 CAADMP CC[NH+](CC)CC(=O)NC[C@@]1(CO)COCC[NH2+]1 ZINC000913188459 656277262 /nfs/dbraw/zinc/27/72/62/656277262.db2.gz ITPNSSAQLJXIQO-GFCCVEGCSA-N 2 1 259.350 -1.205 20 0 CAADMP CCC[N@H+](C)CC(=O)NC[C@]1(CO)COCC[NH2+]1 ZINC000913187318 656277572 /nfs/dbraw/zinc/27/75/72/656277572.db2.gz ATXBAHQBSCBQHV-LBPRGKRZSA-N 2 1 259.350 -1.205 20 0 CAADMP CC(C)[N@H+](C)CC(=O)NC[C@]1(CO)COCC[NH2+]1 ZINC000913190575 656278577 /nfs/dbraw/zinc/27/85/77/656278577.db2.gz LXMJVKASPCJPKP-LBPRGKRZSA-N 2 1 259.350 -1.206 20 0 CAADMP CC(C)[N@@H+](C)CC(=O)NC[C@]1(CO)COCC[NH2+]1 ZINC000913190575 656278580 /nfs/dbraw/zinc/27/85/80/656278580.db2.gz LXMJVKASPCJPKP-LBPRGKRZSA-N 2 1 259.350 -1.206 20 0 CAADMP COCC[N@@H+](C)C[C@@H](O)CN1CCO[C@H](C[NH3+])C1 ZINC000311133903 656281150 /nfs/dbraw/zinc/28/11/50/656281150.db2.gz JZUJDWOVDMKVDH-VXGBXAGGSA-N 2 1 261.366 -1.415 20 0 CAADMP CN1CC[N@@H+](C)CC(C(=O)NCC[NH+]2CC[C@H](O)C2)C1 ZINC000913351895 656282028 /nfs/dbraw/zinc/28/20/28/656282028.db2.gz MUUXXGZIPISPKI-ZDUSSCGKSA-N 2 1 284.404 -1.337 20 0 CAADMP CN1CC[NH+](C)CC(C(=O)NCC[N@@H+]2CC[C@H](O)C2)C1 ZINC000913351895 656282032 /nfs/dbraw/zinc/28/20/32/656282032.db2.gz MUUXXGZIPISPKI-ZDUSSCGKSA-N 2 1 284.404 -1.337 20 0 CAADMP CN1CC[NH+](C)CC(C(=O)NCC[N@H+]2CC[C@H](O)C2)C1 ZINC000913351895 656282039 /nfs/dbraw/zinc/28/20/39/656282039.db2.gz MUUXXGZIPISPKI-ZDUSSCGKSA-N 2 1 284.404 -1.337 20 0 CAADMP COC[C@H](O)C[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000225485468 656298200 /nfs/dbraw/zinc/29/82/00/656298200.db2.gz QIEAUCJCMNSQMC-GHMZBOCLSA-N 2 1 259.350 -1.219 20 0 CAADMP C[NH+]1CCN(C(=O)C[C@@]2(O)CCC[N@@H+](C)C2)C[C@H]1CO ZINC000913556351 656321533 /nfs/dbraw/zinc/32/15/33/656321533.db2.gz XZKPRPMGNMDRHH-JSGCOSHPSA-N 2 1 285.388 -1.032 20 0 CAADMP C[NH+]1CCN(C(=O)C[C@@]2(O)CCC[N@H+](C)C2)C[C@H]1CO ZINC000913556351 656321537 /nfs/dbraw/zinc/32/15/37/656321537.db2.gz XZKPRPMGNMDRHH-JSGCOSHPSA-N 2 1 285.388 -1.032 20 0 CAADMP C[NH+]1CCC[C@](O)(CC(=O)N2CC[N@H+](C)[C@H](CO)C2)C1 ZINC000913556351 656321541 /nfs/dbraw/zinc/32/15/41/656321541.db2.gz XZKPRPMGNMDRHH-JSGCOSHPSA-N 2 1 285.388 -1.032 20 0 CAADMP C[NH+]1CCC[C@](O)(CC(=O)N2CC[N@@H+](C)[C@H](CO)C2)C1 ZINC000913556351 656321542 /nfs/dbraw/zinc/32/15/42/656321542.db2.gz XZKPRPMGNMDRHH-JSGCOSHPSA-N 2 1 285.388 -1.032 20 0 CAADMP CC(=O)N1CC[NH+](CCC(=O)N2CC[NH2+]CC2)CC1 ZINC000032048515 656351722 /nfs/dbraw/zinc/35/17/22/656351722.db2.gz YVSDTWOJJJEPSX-UHFFFAOYSA-N 2 1 268.361 -1.028 20 0 CAADMP C[C@H](O)C[NH+]1CC(CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001031597396 656377122 /nfs/dbraw/zinc/37/71/22/656377122.db2.gz ZNQSGOXPARJTRQ-CMPLNLGQSA-N 2 1 271.361 -1.254 20 0 CAADMP C[C@H](O)C[NH+]1CC(CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001031597396 656377123 /nfs/dbraw/zinc/37/71/23/656377123.db2.gz ZNQSGOXPARJTRQ-CMPLNLGQSA-N 2 1 271.361 -1.254 20 0 CAADMP C[N@@H+]1CCO[C@@H](C(=O)NCC2C[NH+](CCCO)C2)C1 ZINC001031594138 656377572 /nfs/dbraw/zinc/37/75/72/656377572.db2.gz UJDCONQZDOCCKG-GFCCVEGCSA-N 2 1 271.361 -1.253 20 0 CAADMP C[N@H+]1CCO[C@@H](C(=O)NCC2C[NH+](CCCO)C2)C1 ZINC001031594138 656377574 /nfs/dbraw/zinc/37/75/74/656377574.db2.gz UJDCONQZDOCCKG-GFCCVEGCSA-N 2 1 271.361 -1.253 20 0 CAADMP O=C(NCC1C[NH+](CCO)C1)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001031857534 656399828 /nfs/dbraw/zinc/39/98/28/656399828.db2.gz XQWUAKGKQOEMKE-GLWUULTISA-N 2 1 295.383 -1.110 20 0 CAADMP CN(C(=O)[C@@H]1C[N@H+](C)CCO1)C1CC([NH2+]CC(N)=O)C1 ZINC000998584706 656536392 /nfs/dbraw/zinc/53/63/92/656536392.db2.gz GOLHFAVVYZJBKP-ILDUYXDCSA-N 2 1 284.360 -1.619 20 0 CAADMP CN(C(=O)[C@@H]1C[N@@H+](C)CCO1)C1CC([NH2+]CC(N)=O)C1 ZINC000998584706 656536405 /nfs/dbraw/zinc/53/64/05/656536405.db2.gz GOLHFAVVYZJBKP-ILDUYXDCSA-N 2 1 284.360 -1.619 20 0 CAADMP CN(C(=O)[C@@H]1C[N@H+](C)CCO1)C1CC([NH2+]CCO)C1 ZINC000998583353 656536942 /nfs/dbraw/zinc/53/69/42/656536942.db2.gz SIGUURRLFFDGPJ-MCIGGMRASA-N 2 1 271.361 -1.112 20 0 CAADMP CN(C(=O)[C@@H]1C[N@@H+](C)CCO1)C1CC([NH2+]CCO)C1 ZINC000998583353 656536950 /nfs/dbraw/zinc/53/69/50/656536950.db2.gz SIGUURRLFFDGPJ-MCIGGMRASA-N 2 1 271.361 -1.112 20 0 CAADMP C[N@@H+]1CCO[C@H](C(=O)N2CCC[C@H]([NH2+]CCO)C2)C1 ZINC000998830298 656562412 /nfs/dbraw/zinc/56/24/12/656562412.db2.gz XRGCAAFONHJTAR-RYUDHWBXSA-N 2 1 271.361 -1.110 20 0 CAADMP C[N@H+]1CCO[C@H](C(=O)N2CCC[C@H]([NH2+]CCO)C2)C1 ZINC000998830298 656562421 /nfs/dbraw/zinc/56/24/21/656562421.db2.gz XRGCAAFONHJTAR-RYUDHWBXSA-N 2 1 271.361 -1.110 20 0 CAADMP NC(=O)C[NH2+][C@@H]1CCCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001000463786 656606516 /nfs/dbraw/zinc/60/65/16/656606516.db2.gz XKBVAOBFDSTUCS-GFCCVEGCSA-N 2 1 298.387 -1.225 20 0 CAADMP CC[N@@H+]1CCO[C@@H](C(=O)N2CCC[C@@H]([NH2+]CC(N)=O)C2)C1 ZINC001000973851 656615957 /nfs/dbraw/zinc/61/59/57/656615957.db2.gz XDJFYLFBRTYWAQ-VXGBXAGGSA-N 2 1 298.387 -1.227 20 0 CAADMP CC[N@H+]1CCO[C@@H](C(=O)N2CCC[C@@H]([NH2+]CC(N)=O)C2)C1 ZINC001000973851 656615961 /nfs/dbraw/zinc/61/59/61/656615961.db2.gz XDJFYLFBRTYWAQ-VXGBXAGGSA-N 2 1 298.387 -1.227 20 0 CAADMP CN1CCO[C@H](C(=O)NCC2CCN(CC(N)=O)CC2)C1 ZINC001001278248 656620594 /nfs/dbraw/zinc/62/05/94/656620594.db2.gz JQBIFJLNBGOJCJ-LBPRGKRZSA-N 2 1 298.387 -1.370 20 0 CAADMP C[N@@H+]1CCO[C@@H](C(=O)NC2CC[NH+](CCO)CC2)C1 ZINC001002535143 656630543 /nfs/dbraw/zinc/63/05/43/656630543.db2.gz QDIKESSPWBDOGS-GFCCVEGCSA-N 2 1 271.361 -1.110 20 0 CAADMP C[N@H+]1CCO[C@@H](C(=O)NC2CC[NH+](CCO)CC2)C1 ZINC001002535143 656630547 /nfs/dbraw/zinc/63/05/47/656630547.db2.gz QDIKESSPWBDOGS-GFCCVEGCSA-N 2 1 271.361 -1.110 20 0 CAADMP C[N@@H+](CCNC(=O)[C@H]1C[NH+](C)CCO1)CCOCCO ZINC000922119865 656641014 /nfs/dbraw/zinc/64/10/14/656641014.db2.gz YOBJSMGGADOKIW-GFCCVEGCSA-N 2 1 289.376 -1.626 20 0 CAADMP C[C@@H](C(=O)NCC[N@@H+](C)CCOCCO)[NH+](C)C ZINC000922109940 656640942 /nfs/dbraw/zinc/64/09/42/656640942.db2.gz IUAXHHHQBHDWGY-NSHDSACASA-N 2 1 261.366 -1.007 20 0 CAADMP C[N@H+](CCNC(=O)[C@H]1C[NH+](C)CCO1)CCOCCO ZINC000922119865 656641013 /nfs/dbraw/zinc/64/10/13/656641013.db2.gz YOBJSMGGADOKIW-GFCCVEGCSA-N 2 1 289.376 -1.626 20 0 CAADMP C[NH+](CCNC(=O)[C@H]1C[N@H+](C)CCO1)CCOCCO ZINC000922119865 656641016 /nfs/dbraw/zinc/64/10/16/656641016.db2.gz YOBJSMGGADOKIW-GFCCVEGCSA-N 2 1 289.376 -1.626 20 0 CAADMP C[NH+](CCNC(=O)[C@H]1C[N@@H+](C)CCO1)CCOCCO ZINC000922119865 656641018 /nfs/dbraw/zinc/64/10/18/656641018.db2.gz YOBJSMGGADOKIW-GFCCVEGCSA-N 2 1 289.376 -1.626 20 0 CAADMP CN(C(=O)[C@@H]1CN(C)CCO1)[C@@H]1CC[N@@H+](CCO)C1 ZINC001032981365 656669483 /nfs/dbraw/zinc/66/94/83/656669483.db2.gz RKPLCSTWNDSMFJ-NEPJUHHUSA-N 2 1 271.361 -1.158 20 0 CAADMP C[N@H+]1C[C@@H]2CN(C(=O)C(=O)NCC[NH3+])C[C@]2(C)C1 ZINC000702367606 656736963 /nfs/dbraw/zinc/73/69/63/656736963.db2.gz CNXIHFZVQADWLX-SKDRFNHKSA-N 2 1 254.334 -1.529 20 0 CAADMP C[NH+](C)C[C@H](N)C(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000702385137 656737786 /nfs/dbraw/zinc/73/77/86/656737786.db2.gz CECSQARRQVYVHD-SRVKXCTJSA-N 2 1 270.377 -1.145 20 0 CAADMP C[NH+](C)C[C@H](N)C(=O)NC[C@@H]1C[N@H+]2CCN1CCC2 ZINC000702390365 656738087 /nfs/dbraw/zinc/73/80/87/656738087.db2.gz HPBRVCGGKZKWLM-NEPJUHHUSA-N 2 1 269.393 -1.619 20 0 CAADMP C[NH+](C)C[C@H](N)C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000702385139 656739003 /nfs/dbraw/zinc/73/90/03/656739003.db2.gz CECSQARRQVYVHD-TUAOUCFPSA-N 2 1 270.377 -1.145 20 0 CAADMP COCC[N@@H+](C)C[C@H](O)CN1CCC[C@H]([NH2+]CCO)C1 ZINC000708545617 656792009 /nfs/dbraw/zinc/79/20/09/656792009.db2.gz PWQBKECAFIUFLN-KBPBESRZSA-N 2 1 289.420 -1.028 20 0 CAADMP C[C@H](C(=O)NC(N)=O)[NH+]1CCC(O)(C[NH+](C)C)CC1 ZINC000710666270 656796838 /nfs/dbraw/zinc/79/68/38/656796838.db2.gz XQFPRDIVBOHJQM-SECBINFHSA-N 2 1 272.349 -1.042 20 0 CAADMP CS(=O)(=O)N[C@@H]1CC[N@@H+](C[C@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923317094 656802648 /nfs/dbraw/zinc/80/26/48/656802648.db2.gz SZQOBQLYOQELBC-GHMZBOCLSA-N 2 1 289.401 -1.012 20 0 CAADMP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)C1 ZINC000923281893 656802801 /nfs/dbraw/zinc/80/28/01/656802801.db2.gz IUUOHJGTUFVVHK-RFGFWPKPSA-N 2 1 296.415 -1.019 20 0 CAADMP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@@H+]2CCC[C@@H](C(=O)N3CCNCC3)C2)C1 ZINC000923281893 656802802 /nfs/dbraw/zinc/80/28/02/656802802.db2.gz IUUOHJGTUFVVHK-RFGFWPKPSA-N 2 1 296.415 -1.019 20 0 CAADMP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@H+]2CCC[C@@H](C(=O)N3CCNCC3)C2)C1 ZINC000923281893 656802804 /nfs/dbraw/zinc/80/28/04/656802804.db2.gz IUUOHJGTUFVVHK-RFGFWPKPSA-N 2 1 296.415 -1.019 20 0 CAADMP CN1C(=O)[C@H]2C[N@@H+](C[C@H]3CC4(C[NH2+]C4)CO3)C[C@H]2C1=O ZINC000923413781 656803839 /nfs/dbraw/zinc/80/38/39/656803839.db2.gz IBSFQKZGKOIENX-MXWKQRLJSA-N 2 1 279.340 -1.089 20 0 CAADMP C[C@@H]1C[N@H+](C[C@H]2CC3(C[NH2+]C3)CO2)C[C@H](C(N)=O)O1 ZINC000923398472 656803853 /nfs/dbraw/zinc/80/38/53/656803853.db2.gz KFWMOHVGUIFLLU-GMTAPVOTSA-N 2 1 269.345 -1.061 20 0 CAADMP C[C@@H]1C[N@@H+](C[C@H]2CC3(C[NH2+]C3)CO2)C[C@H](C(N)=O)O1 ZINC000923398472 656803857 /nfs/dbraw/zinc/80/38/57/656803857.db2.gz KFWMOHVGUIFLLU-GMTAPVOTSA-N 2 1 269.345 -1.061 20 0 CAADMP O=C1NC[C@H]2C[N@H+](C[C@@H]3CC4(C[NH2+]C4)CO3)CCN2C1=O ZINC000923373075 656803876 /nfs/dbraw/zinc/80/38/76/656803876.db2.gz LPAKHLAILXGHGX-QWRGUYRKSA-N 2 1 294.355 -1.993 20 0 CAADMP O=C1NC[C@H]2C[N@@H+](C[C@@H]3CC4(C[NH2+]C4)CO3)CCN2C1=O ZINC000923373075 656803878 /nfs/dbraw/zinc/80/38/78/656803878.db2.gz LPAKHLAILXGHGX-QWRGUYRKSA-N 2 1 294.355 -1.993 20 0 CAADMP C[C@@H]1C[N@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)C[C@@H](C(N)=O)O1 ZINC000923398475 656803891 /nfs/dbraw/zinc/80/38/91/656803891.db2.gz KFWMOHVGUIFLLU-VWYCJHECSA-N 2 1 269.345 -1.061 20 0 CAADMP C[C@@H]1C[N@@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)C[C@@H](C(N)=O)O1 ZINC000923398475 656803893 /nfs/dbraw/zinc/80/38/93/656803893.db2.gz KFWMOHVGUIFLLU-VWYCJHECSA-N 2 1 269.345 -1.061 20 0 CAADMP CN1C(=O)[C@H]2C[N@@H+](C[C@@H]3CC4(C[NH2+]C4)CO3)C[C@H]2C1=O ZINC000923413777 656804350 /nfs/dbraw/zinc/80/43/50/656804350.db2.gz IBSFQKZGKOIENX-GARJFASQSA-N 2 1 279.340 -1.089 20 0 CAADMP O=C(CN1CC[NH2+]CC[NH2+]CC1)NC(=O)NC1CC1 ZINC000923464528 656804646 /nfs/dbraw/zinc/80/46/46/656804646.db2.gz OGYMPHQAMHGXGU-UHFFFAOYSA-N 2 1 269.349 -1.531 20 0 CAADMP COC(=O)CCN1CC[C@H](N2CC[NH2+]CC[NH2+]CC2)C1=O ZINC000923460002 656804711 /nfs/dbraw/zinc/80/47/11/656804711.db2.gz JUCYUNQSQMQFRZ-LBPRGKRZSA-N 2 1 298.387 -1.355 20 0 CAADMP O=S(=O)(C1CN(C[C@@H]2CC[NH2+]C2)C1)N1CC[NH2+]CC1 ZINC000923433958 656804874 /nfs/dbraw/zinc/80/48/74/656804874.db2.gz ZHXMTRNEVUNBQT-LLVKDONJSA-N 2 1 288.417 -1.485 20 0 CAADMP CCCNC(=O)NC(=O)CN1CC[NH2+]CC[NH2+]CC1 ZINC000923465604 656805026 /nfs/dbraw/zinc/80/50/26/656805026.db2.gz ASCLCMOHBPMVBD-UHFFFAOYSA-N 2 1 271.365 -1.283 20 0 CAADMP C[NH+]1CCN(C(=O)CCN2CCC[C@@]([NH3+])(CO)C2)CC1 ZINC000923474476 656805066 /nfs/dbraw/zinc/80/50/66/656805066.db2.gz IRWXSAVRWBSBAY-AWEZNQCLSA-N 2 1 284.404 -1.064 20 0 CAADMP O=S(=O)(C1CN(C[C@H]2CCC[NH2+]2)C1)N1CC[NH2+]CC1 ZINC000923437378 656805073 /nfs/dbraw/zinc/80/50/73/656805073.db2.gz RZDDKJYVDKTEQP-LLVKDONJSA-N 2 1 288.417 -1.342 20 0 CAADMP COCC[N@@H+](C)C[C@@H](O)CN1CCC[C@@]([NH3+])(CO)C1 ZINC000923474163 656805293 /nfs/dbraw/zinc/80/52/93/656805293.db2.gz WQVYFTWMAOSWIQ-OLZOCXBDSA-N 2 1 275.393 -1.289 20 0 CAADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CCN3[C@H](CNS3(=O)=O)C2)C1 ZINC000923548890 656806167 /nfs/dbraw/zinc/80/61/67/656806167.db2.gz BLGJRRMGIOQIAY-HBNTYKKESA-N 2 1 274.390 -1.052 20 0 CAADMP [NH3+]CC[C@H]1CC[N@@H+](CC(=O)N2CCNC(=O)C2)C1 ZINC000923487785 656806313 /nfs/dbraw/zinc/80/63/13/656806313.db2.gz NUPAXSUFMZCLGE-JTQLQIEISA-N 2 1 254.334 -1.385 20 0 CAADMP O=S1(=O)NC[C@H]2C[N@@H+](CC[C@@H]3CC[NH2+]C3)CCN21 ZINC000923549207 656806491 /nfs/dbraw/zinc/80/64/91/656806491.db2.gz GHBRPDRTOUKBQU-QWRGUYRKSA-N 2 1 274.390 -1.180 20 0 CAADMP COCC[N@H+]1CCC[C@@H]1CNS(=O)(=O)C1C[NH2+]C1 ZINC000923606666 656809659 /nfs/dbraw/zinc/80/96/59/656809659.db2.gz ZRFCJOHLDYKLOK-SNVBAGLBSA-N 2 1 277.390 -1.012 20 0 CAADMP COC(=O)[C@@H]1C[NH2+]CCCN1S(=O)(=O)C1C[NH2+]C1 ZINC000923643456 656811488 /nfs/dbraw/zinc/81/14/88/656811488.db2.gz KURYDRPUIZURMZ-VIFPVBQESA-N 2 1 277.346 -1.875 20 0 CAADMP O=S(=O)(C1C[NH2+]C1)N1CC[C@@H]2OCC[NH2+][C@@H]2C1 ZINC000923642622 656811566 /nfs/dbraw/zinc/81/15/66/656811566.db2.gz FVRXAMIARWZXRF-ZJUUUORDSA-N 2 1 261.347 -1.649 20 0 CAADMP O=S(=O)(N1CC[NH2+]CC1)N1CCC2(CC[NH2+]2)CC1 ZINC000923648770 656812281 /nfs/dbraw/zinc/81/22/81/656812281.db2.gz JDIVIOZBDBGUTE-UHFFFAOYSA-N 2 1 274.390 -1.036 20 0 CAADMP O=S(=O)(N1CC[C@]2(CCC[NH2+]2)C1)N1CC[NH2+]CC1 ZINC000923649783 656812427 /nfs/dbraw/zinc/81/24/27/656812427.db2.gz YMQQEFPQQQFZNF-LLVKDONJSA-N 2 1 274.390 -1.036 20 0 CAADMP O=S(=O)(N[C@@H]1C[NH2+]CCC1(F)F)N1CC[NH2+]CC1 ZINC000923647821 656812476 /nfs/dbraw/zinc/81/24/76/656812476.db2.gz XOIPASQXGUKVOV-MRVPVSSYSA-N 2 1 284.332 -1.277 20 0 CAADMP O=S(=O)(NC[C@@H]1COCC[NH2+]1)[C@H]1CCC[NH2+]C1 ZINC000923662675 656813134 /nfs/dbraw/zinc/81/31/34/656813134.db2.gz MUHJCHRUJFKIRD-ZJUUUORDSA-N 2 1 263.363 -1.354 20 0 CAADMP CN(C)C(=O)CN(CC[NH+](C)C)S(=O)(=O)C1C[NH2+]C1 ZINC000923655780 656813192 /nfs/dbraw/zinc/81/31/92/656813192.db2.gz UJUJPKWKEWZJPN-UHFFFAOYSA-N 2 1 292.405 -1.760 20 0 CAADMP O=S(=O)(NC[C@H]1COCC[NH2+]1)[C@@H]1CCC[NH2+]C1 ZINC000923662674 656813336 /nfs/dbraw/zinc/81/33/36/656813336.db2.gz MUHJCHRUJFKIRD-VHSXEESVSA-N 2 1 263.363 -1.354 20 0 CAADMP CC1(C)CN(S(=O)(=O)N2CC[NH2+]CC2)CC[NH2+]1 ZINC000923655654 656813398 /nfs/dbraw/zinc/81/33/98/656813398.db2.gz LHMORKIOEKMZLO-UHFFFAOYSA-N 2 1 262.379 -1.180 20 0 CAADMP CO[C@H]1C[C@@H](C(=O)NC[C@@H]2C[C@H](O)C[NH+]2C)[N@H+](C)C1 ZINC000924982851 656818274 /nfs/dbraw/zinc/81/82/74/656818274.db2.gz YRXCCENYIKYENV-BJDJZHNGSA-N 2 1 271.361 -1.113 20 0 CAADMP CO[C@H]1C[C@@H](C(=O)NC[C@@H]2C[C@H](O)C[NH+]2C)[N@@H+](C)C1 ZINC000924982851 656818276 /nfs/dbraw/zinc/81/82/76/656818276.db2.gz YRXCCENYIKYENV-BJDJZHNGSA-N 2 1 271.361 -1.113 20 0 CAADMP CO[C@H]1C[C@@H](C(=O)NC[C@@H]2C[C@H](O)C[N@@H+]2C)[NH+](C)C1 ZINC000924982851 656818279 /nfs/dbraw/zinc/81/82/79/656818279.db2.gz YRXCCENYIKYENV-BJDJZHNGSA-N 2 1 271.361 -1.113 20 0 CAADMP CO[C@H]1C[C@@H](C(=O)NC[C@@H]2C[C@H](O)C[N@H+]2C)[NH+](C)C1 ZINC000924982851 656818282 /nfs/dbraw/zinc/81/82/82/656818282.db2.gz YRXCCENYIKYENV-BJDJZHNGSA-N 2 1 271.361 -1.113 20 0 CAADMP CO[C@H]1C[C@@H](C(=O)NC[C@H]2C[C@H](O)C[NH+]2C)[N@H+](C)C1 ZINC000924982852 656818550 /nfs/dbraw/zinc/81/85/50/656818550.db2.gz YRXCCENYIKYENV-RHYQMDGZSA-N 2 1 271.361 -1.113 20 0 CAADMP CO[C@H]1C[C@@H](C(=O)NC[C@H]2C[C@H](O)C[NH+]2C)[N@@H+](C)C1 ZINC000924982852 656818551 /nfs/dbraw/zinc/81/85/51/656818551.db2.gz YRXCCENYIKYENV-RHYQMDGZSA-N 2 1 271.361 -1.113 20 0 CAADMP CO[C@H]1C[C@@H](C(=O)NC[C@H]2C[C@H](O)C[N@@H+]2C)[NH+](C)C1 ZINC000924982852 656818554 /nfs/dbraw/zinc/81/85/54/656818554.db2.gz YRXCCENYIKYENV-RHYQMDGZSA-N 2 1 271.361 -1.113 20 0 CAADMP CO[C@H]1C[C@@H](C(=O)NC[C@H]2C[C@H](O)C[N@H+]2C)[NH+](C)C1 ZINC000924982852 656818559 /nfs/dbraw/zinc/81/85/59/656818559.db2.gz YRXCCENYIKYENV-RHYQMDGZSA-N 2 1 271.361 -1.113 20 0 CAADMP C(C[N@H+]1CC[C@@H](N[C@H]2C[NH2+]CCOC2)C1)N1CCOCC1 ZINC000925498930 656820077 /nfs/dbraw/zinc/82/00/77/656820077.db2.gz TXUMMTXAGBQENU-CABCVRRESA-N 2 1 298.431 -1.029 20 0 CAADMP C[C@@H](CNC(=O)C[N@@H+]1CC[C@H](O)C1)[NH+]1CC[C@H](O)C1 ZINC000929519675 656831773 /nfs/dbraw/zinc/83/17/73/656831773.db2.gz CYDNUYMLUYDLKX-SRVKXCTJSA-N 2 1 271.361 -1.376 20 0 CAADMP C[C@@H](CNC(=O)C[N@H+]1CC[C@H](O)C1)[NH+]1CC[C@H](O)C1 ZINC000929519675 656831775 /nfs/dbraw/zinc/83/17/75/656831775.db2.gz CYDNUYMLUYDLKX-SRVKXCTJSA-N 2 1 271.361 -1.376 20 0 CAADMP C[C@@H](CNC(=O)C[NH+]1CC[C@H](O)C1)[N@@H+]1CC[C@H](O)C1 ZINC000929519675 656831779 /nfs/dbraw/zinc/83/17/79/656831779.db2.gz CYDNUYMLUYDLKX-SRVKXCTJSA-N 2 1 271.361 -1.376 20 0 CAADMP C[C@@H](CNC(=O)C[NH+]1CC[C@H](O)C1)[N@H+]1CC[C@H](O)C1 ZINC000929519675 656831780 /nfs/dbraw/zinc/83/17/80/656831780.db2.gz CYDNUYMLUYDLKX-SRVKXCTJSA-N 2 1 271.361 -1.376 20 0 CAADMP COCC[N@H+](C)CCNC(=O)C(=O)NC[C@@H]1CC[NH+]1C ZINC000929894657 656834245 /nfs/dbraw/zinc/83/42/45/656834245.db2.gz LFLXTGKDRJNYBO-NSHDSACASA-N 2 1 286.376 -1.499 20 0 CAADMP COCC[N@@H+](C)CCNC(=O)C(=O)NC[C@@H]1CC[NH+]1C ZINC000929894657 656834247 /nfs/dbraw/zinc/83/42/47/656834247.db2.gz LFLXTGKDRJNYBO-NSHDSACASA-N 2 1 286.376 -1.499 20 0 CAADMP COCC[NH+](C)CCNC(=O)C(=O)NC[C@@H]1CC[N@@H+]1C ZINC000929894657 656834249 /nfs/dbraw/zinc/83/42/49/656834249.db2.gz LFLXTGKDRJNYBO-NSHDSACASA-N 2 1 286.376 -1.499 20 0 CAADMP COCC[NH+](C)CCNC(=O)C(=O)NC[C@@H]1CC[N@H+]1C ZINC000929894657 656834252 /nfs/dbraw/zinc/83/42/52/656834252.db2.gz LFLXTGKDRJNYBO-NSHDSACASA-N 2 1 286.376 -1.499 20 0 CAADMP C[C@@H](O)[C@@H](O)C[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000930167162 656837601 /nfs/dbraw/zinc/83/76/01/656837601.db2.gz IMTITCZTISJBPJ-OLZOCXBDSA-N 2 1 288.388 -1.113 20 0 CAADMP C[C@@H](O)[C@H](O)C[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000930166835 656837716 /nfs/dbraw/zinc/83/77/16/656837716.db2.gz IMTITCZTISJBPJ-CHWSQXEVSA-N 2 1 288.388 -1.113 20 0 CAADMP C[C@H](O)[C@@H](O)C[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000930167164 656837985 /nfs/dbraw/zinc/83/79/85/656837985.db2.gz IMTITCZTISJBPJ-STQMWFEESA-N 2 1 288.388 -1.113 20 0 CAADMP O=C1NC(=O)[C@@H]2C[N@H+](C[C@@H](O)C[NH+]3CCCC3)C[C@H]12 ZINC000930639107 656839791 /nfs/dbraw/zinc/83/97/91/656839791.db2.gz GJGJNLQKLDPCRL-GARJFASQSA-N 2 1 267.329 -1.353 20 0 CAADMP O=C1NC(=O)[C@@H]2C[N@@H+](C[C@@H](O)C[NH+]3CCCC3)C[C@H]12 ZINC000930639107 656839793 /nfs/dbraw/zinc/83/97/93/656839793.db2.gz GJGJNLQKLDPCRL-GARJFASQSA-N 2 1 267.329 -1.353 20 0 CAADMP C[NH+](C)CC1(O)CC[NH+](CC(=O)N2CCNC(=O)C2)CC1 ZINC000931487402 656846077 /nfs/dbraw/zinc/84/60/77/656846077.db2.gz ZCPLFXRKWFPMAN-UHFFFAOYSA-N 2 1 298.387 -1.667 20 0 CAADMP CN(CC[NH+](C)C)C(=O)C(=O)NC[C@@H]1CC[N@H+]1C ZINC000931877380 656850218 /nfs/dbraw/zinc/85/02/18/656850218.db2.gz HVLBESAVLHZHMO-JTQLQIEISA-N 2 1 256.350 -1.173 20 0 CAADMP O=C(NC[C@H]1C[N@@H+](CCCO)C[C@@H]1O)C12CC[NH+](CC1)C2 ZINC000958595227 656975585 /nfs/dbraw/zinc/97/55/85/656975585.db2.gz PUNGIFYVPIQGHS-STQMWFEESA-N 2 1 297.399 -1.127 20 0 CAADMP O=C(NC[C@@H]1C[N@@H+](CCO)C[C@@H]1O)C12CC[NH+](CC1)C2 ZINC000958594540 656976487 /nfs/dbraw/zinc/97/64/87/656976487.db2.gz JOOFQWLNDAYBLT-NEPJUHHUSA-N 2 1 283.372 -1.517 20 0 CAADMP C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3C[NH+](CC(N)=O)C[C@H]32)CC[N@@H+]1C ZINC000959977212 656991533 /nfs/dbraw/zinc/99/15/33/656991533.db2.gz WTOXFCUDORJFCC-YFVNTRNASA-N 2 1 280.372 -1.142 20 0 CAADMP C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3C[NH+](CC(N)=O)C[C@H]32)CC[N@H+]1C ZINC000959977212 656991546 /nfs/dbraw/zinc/99/15/46/656991546.db2.gz WTOXFCUDORJFCC-YFVNTRNASA-N 2 1 280.372 -1.142 20 0 CAADMP C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3C[N@H+](CC(N)=O)C[C@H]32)CC[NH+]1C ZINC000959977212 656991558 /nfs/dbraw/zinc/99/15/58/656991558.db2.gz WTOXFCUDORJFCC-YFVNTRNASA-N 2 1 280.372 -1.142 20 0 CAADMP C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(N)=O)C[C@H]32)CC[NH+]1C ZINC000959977212 656991570 /nfs/dbraw/zinc/99/15/70/656991570.db2.gz WTOXFCUDORJFCC-YFVNTRNASA-N 2 1 280.372 -1.142 20 0 CAADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2[C@H]3C[NH+](CCO)C[C@H]32)O1 ZINC000960529762 656996348 /nfs/dbraw/zinc/99/63/48/656996348.db2.gz UPUGHMMNFODCKB-LBELIVKGSA-N 2 1 283.372 -1.256 20 0 CAADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2[C@H]3C[NH+](CCO)C[C@H]32)O1 ZINC000960529762 656996366 /nfs/dbraw/zinc/99/63/66/656996366.db2.gz UPUGHMMNFODCKB-LBELIVKGSA-N 2 1 283.372 -1.256 20 0 CAADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2[C@H]3C[N@H+](CCO)C[C@H]32)O1 ZINC000960529762 656996375 /nfs/dbraw/zinc/99/63/75/656996375.db2.gz UPUGHMMNFODCKB-LBELIVKGSA-N 2 1 283.372 -1.256 20 0 CAADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](CCO)C[C@H]32)O1 ZINC000960529762 656996382 /nfs/dbraw/zinc/99/63/82/656996382.db2.gz UPUGHMMNFODCKB-LBELIVKGSA-N 2 1 283.372 -1.256 20 0 CAADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@H]2CC[NH+](CCO)C2)C1 ZINC001016302711 657205785 /nfs/dbraw/zinc/20/57/85/657205785.db2.gz NWCNOTWYOIBPEV-RYUDHWBXSA-N 2 1 271.361 -1.110 20 0 CAADMP CC[N@H+]1CCO[C@H](C(=O)N[C@H]2CC[NH+](CCO)C2)C1 ZINC001016302711 657205795 /nfs/dbraw/zinc/20/57/95/657205795.db2.gz NWCNOTWYOIBPEV-RYUDHWBXSA-N 2 1 271.361 -1.110 20 0 CAADMP CC[NH+]1CCO[C@H](C(=O)N[C@H]2CC[N@H+](CCO)C2)C1 ZINC001016302711 657205809 /nfs/dbraw/zinc/20/58/09/657205809.db2.gz NWCNOTWYOIBPEV-RYUDHWBXSA-N 2 1 271.361 -1.110 20 0 CAADMP CC[NH+]1CCO[C@H](C(=O)N[C@H]2CC[N@@H+](CCO)C2)C1 ZINC001016302711 657205815 /nfs/dbraw/zinc/20/58/15/657205815.db2.gz NWCNOTWYOIBPEV-RYUDHWBXSA-N 2 1 271.361 -1.110 20 0 CAADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CC[NH+](CCO)C2)C1 ZINC001016302714 657206467 /nfs/dbraw/zinc/20/64/67/657206467.db2.gz NWCNOTWYOIBPEV-VXGBXAGGSA-N 2 1 271.361 -1.110 20 0 CAADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CC[NH+](CCO)C2)C1 ZINC001016302714 657206478 /nfs/dbraw/zinc/20/64/78/657206478.db2.gz NWCNOTWYOIBPEV-VXGBXAGGSA-N 2 1 271.361 -1.110 20 0 CAADMP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2CC[N@H+](CCO)C2)C1 ZINC001016302714 657206492 /nfs/dbraw/zinc/20/64/92/657206492.db2.gz NWCNOTWYOIBPEV-VXGBXAGGSA-N 2 1 271.361 -1.110 20 0 CAADMP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2CC[N@@H+](CCO)C2)C1 ZINC001016302714 657206505 /nfs/dbraw/zinc/20/65/05/657206505.db2.gz NWCNOTWYOIBPEV-VXGBXAGGSA-N 2 1 271.361 -1.110 20 0 CAADMP C[N@@H+]1CCO[C@@H](C(=O)N2CC[C@H]([NH2+]CCO)C2)C1 ZINC001018665781 657239704 /nfs/dbraw/zinc/23/97/04/657239704.db2.gz WUKUAQCNKVFMIW-WDEREUQCSA-N 2 1 257.334 -1.500 20 0 CAADMP C[N@H+]1CCO[C@@H](C(=O)N2CC[C@H]([NH2+]CCO)C2)C1 ZINC001018665781 657239713 /nfs/dbraw/zinc/23/97/13/657239713.db2.gz WUKUAQCNKVFMIW-WDEREUQCSA-N 2 1 257.334 -1.500 20 0 CAADMP C[NH+](C)[C@@H](Cn1cccn1)C(=O)N1CC[C@H]([NH2+]CCO)C1 ZINC001018963589 657252235 /nfs/dbraw/zinc/25/22/35/657252235.db2.gz RIDMOGVZMCSGPY-STQMWFEESA-N 2 1 295.387 -1.004 20 0 CAADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@H]([NH2+]CCO)C2)O1 ZINC001019032022 657252946 /nfs/dbraw/zinc/25/29/46/657252946.db2.gz ALGPRHRFXHDJCO-GRYCIOLGSA-N 2 1 271.361 -1.112 20 0 CAADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@H]([NH2+]CCO)C2)O1 ZINC001019032022 657252958 /nfs/dbraw/zinc/25/29/58/657252958.db2.gz ALGPRHRFXHDJCO-GRYCIOLGSA-N 2 1 271.361 -1.112 20 0 CAADMP Cc1c[nH+]cn1CC(=O)N1CC[C@H]([NH2+]CC(N)=O)C1 ZINC001019153000 657255556 /nfs/dbraw/zinc/25/55/56/657255556.db2.gz LUXKKLIJQMKGIC-JTQLQIEISA-N 2 1 265.317 -1.133 20 0 CAADMP CC[N@@H+]1CCO[C@@H](C(=O)N2CC[C@H]([NH2+]CCO)C2)C1 ZINC001019800209 657280469 /nfs/dbraw/zinc/28/04/69/657280469.db2.gz ASSNROOIEKZSPK-NWDGAFQWSA-N 2 1 271.361 -1.110 20 0 CAADMP CC[N@H+]1CCO[C@@H](C(=O)N2CC[C@H]([NH2+]CCO)C2)C1 ZINC001019800209 657280474 /nfs/dbraw/zinc/28/04/74/657280474.db2.gz ASSNROOIEKZSPK-NWDGAFQWSA-N 2 1 271.361 -1.110 20 0 CAADMP C[C@@H]([NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1)C(N)=O ZINC001020045431 657284016 /nfs/dbraw/zinc/28/40/16/657284016.db2.gz BLZIJIZJLVIGGV-DBIOUOCHSA-N 2 1 284.360 -1.572 20 0 CAADMP C[C@@H]([NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1)C(N)=O ZINC001020045431 657284031 /nfs/dbraw/zinc/28/40/31/657284031.db2.gz BLZIJIZJLVIGGV-DBIOUOCHSA-N 2 1 284.360 -1.572 20 0 CAADMP C[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC(N)=O)C1 ZINC001020025959 657284732 /nfs/dbraw/zinc/28/47/32/657284732.db2.gz AXGLCWRHICNIRX-GUBZILKMSA-N 2 1 254.334 -1.197 20 0 CAADMP CC[C@H]([NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1)C(N)=O ZINC001020045463 657284760 /nfs/dbraw/zinc/28/47/60/657284760.db2.gz BUTGAHIWCYNWOR-FIQHERPVSA-N 2 1 298.387 -1.182 20 0 CAADMP CC[C@H]([NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1)C(N)=O ZINC001020045463 657284765 /nfs/dbraw/zinc/28/47/65/657284765.db2.gz BUTGAHIWCYNWOR-FIQHERPVSA-N 2 1 298.387 -1.182 20 0 CAADMP C[N@@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H]([NH2+]CCO)C2)C1 ZINC001020046125 657285741 /nfs/dbraw/zinc/28/57/41/657285741.db2.gz UZNLTPQLQDYIDM-DCAQKATOSA-N 2 1 257.334 -1.454 20 0 CAADMP C[N@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H]([NH2+]CCO)C2)C1 ZINC001020046125 657285744 /nfs/dbraw/zinc/28/57/44/657285744.db2.gz UZNLTPQLQDYIDM-DCAQKATOSA-N 2 1 257.334 -1.454 20 0 CAADMP C[N@@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]CCO)C2)C1 ZINC001020046126 657286021 /nfs/dbraw/zinc/28/60/21/657286021.db2.gz UZNLTPQLQDYIDM-GMTAPVOTSA-N 2 1 257.334 -1.454 20 0 CAADMP C[N@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]CCO)C2)C1 ZINC001020046126 657286037 /nfs/dbraw/zinc/28/60/37/657286037.db2.gz UZNLTPQLQDYIDM-GMTAPVOTSA-N 2 1 257.334 -1.454 20 0 CAADMP C[C@@H](O)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001020046215 657286059 /nfs/dbraw/zinc/28/60/59/657286059.db2.gz XRUYOGOIKOCFMG-KKOKHZNYSA-N 2 1 271.361 -1.065 20 0 CAADMP C[C@@H](O)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001020046215 657286066 /nfs/dbraw/zinc/28/60/66/657286066.db2.gz XRUYOGOIKOCFMG-KKOKHZNYSA-N 2 1 271.361 -1.065 20 0 CAADMP C[N@@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H]([NH2+][C@@H]3CCNC3=O)C2)C1 ZINC001020046096 657286363 /nfs/dbraw/zinc/28/63/63/657286363.db2.gz UAYMAKZNKZVQHB-DDHJBXDOSA-N 2 1 296.371 -1.558 20 0 CAADMP C[N@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H]([NH2+][C@@H]3CCNC3=O)C2)C1 ZINC001020046096 657286377 /nfs/dbraw/zinc/28/63/77/657286377.db2.gz UAYMAKZNKZVQHB-DDHJBXDOSA-N 2 1 296.371 -1.558 20 0 CAADMP C[N@@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H]([NH2+][C@@H]3CCNC3=O)C2)C1 ZINC001020046098 657286674 /nfs/dbraw/zinc/28/66/74/657286674.db2.gz UAYMAKZNKZVQHB-KKOKHZNYSA-N 2 1 296.371 -1.558 20 0 CAADMP C[N@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H]([NH2+][C@@H]3CCNC3=O)C2)C1 ZINC001020046098 657286683 /nfs/dbraw/zinc/28/66/83/657286683.db2.gz UAYMAKZNKZVQHB-KKOKHZNYSA-N 2 1 296.371 -1.558 20 0 CAADMP NC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC001020178926 657290980 /nfs/dbraw/zinc/29/09/80/657290980.db2.gz JBYKFMOWFBZSJJ-BJDJZHNGSA-N 2 1 296.371 -1.428 20 0 CAADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2C[C@H]([NH2+]CCO)C2)O1 ZINC001020286647 657293016 /nfs/dbraw/zinc/29/30/16/657293016.db2.gz HQEODNDAYHHRHY-DDHJBXDOSA-N 2 1 271.361 -1.065 20 0 CAADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2C[C@H]([NH2+]CCO)C2)O1 ZINC001020286647 657293026 /nfs/dbraw/zinc/29/30/26/657293026.db2.gz HQEODNDAYHHRHY-DDHJBXDOSA-N 2 1 271.361 -1.065 20 0 CAADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2C[C@H]([NH2+]CC(N)=O)C2)O1 ZINC001020288077 657293124 /nfs/dbraw/zinc/29/31/24/657293124.db2.gz YGEBUYXKYOZWKV-GWOFURMSSA-N 2 1 284.360 -1.572 20 0 CAADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2C[C@H]([NH2+]CC(N)=O)C2)O1 ZINC001020288077 657293127 /nfs/dbraw/zinc/29/31/27/657293127.db2.gz YGEBUYXKYOZWKV-GWOFURMSSA-N 2 1 284.360 -1.572 20 0 CAADMP C[NH+](C)CCC(=O)N[C@@H]1[C@H]2C[N@@H+](CCOCCO)C[C@H]21 ZINC001114779028 782213769 /nfs/dbraw/zinc/21/37/69/782213769.db2.gz WBYWKTMGZAXUGN-IMRBUKKESA-N 2 1 285.388 -1.007 20 0 CAADMP C[C@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[NH+](C)C ZINC001114778240 782213893 /nfs/dbraw/zinc/21/38/93/782213893.db2.gz HGBCSYLCEBTAAI-SVDPJWKOSA-N 2 1 268.361 -1.142 20 0 CAADMP C[C@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[NH+](C)C ZINC001114778240 782213897 /nfs/dbraw/zinc/21/38/97/782213897.db2.gz HGBCSYLCEBTAAI-SVDPJWKOSA-N 2 1 268.361 -1.142 20 0 CAADMP C[NH+](C)CCC(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)NC(N)=O)C[C@H]21 ZINC001114774087 782214211 /nfs/dbraw/zinc/21/42/11/782214211.db2.gz HQMHMWJAQLUGOO-GDGBQDQQSA-N 2 1 297.359 -1.821 20 0 CAADMP C[NH+](C)CCC(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)NC(N)=O)C[C@H]21 ZINC001114774087 782214216 /nfs/dbraw/zinc/21/42/16/782214216.db2.gz HQMHMWJAQLUGOO-GDGBQDQQSA-N 2 1 297.359 -1.821 20 0 CAADMP C[C@H](O)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001047483689 782480286 /nfs/dbraw/zinc/48/02/86/782480286.db2.gz HHOZNLKIWKDSBW-RNJOBUHISA-N 2 1 285.388 -1.035 20 0 CAADMP C[C@H](O)C[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001047483689 782480293 /nfs/dbraw/zinc/48/02/93/782480293.db2.gz HHOZNLKIWKDSBW-RNJOBUHISA-N 2 1 285.388 -1.035 20 0 CAADMP C[C@H](O)C[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001047483689 782480297 /nfs/dbraw/zinc/48/02/97/782480297.db2.gz HHOZNLKIWKDSBW-RNJOBUHISA-N 2 1 285.388 -1.035 20 0 CAADMP CN(C(=O)C1CC[NH+](C)CC1)[C@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001047514214 782489641 /nfs/dbraw/zinc/48/96/41/782489641.db2.gz WHFZHBPWOMCEIK-STQMWFEESA-N 2 1 285.388 -1.176 20 0 CAADMP CN(C(=O)C12CC[NH+](CC1)C2)[C@H]1C[N@@H+](CCCO)C[C@@H]1O ZINC001047598337 782496380 /nfs/dbraw/zinc/49/63/80/782496380.db2.gz HFAIBUAIHCJTBZ-STQMWFEESA-N 2 1 297.399 -1.032 20 0 CAADMP CN(C(=O)C[C@H]1CC[NH+](C)C1)[C@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001047597865 782496552 /nfs/dbraw/zinc/49/65/52/782496552.db2.gz JLEXPIZMZQJQHJ-AGIUHOORSA-N 2 1 285.388 -1.176 20 0 CAADMP CN(C(=O)C[C@H]1CC[N@H+](C)C1)[C@H]1C[NH+](CCO)C[C@@H]1O ZINC001047597865 782496556 /nfs/dbraw/zinc/49/65/56/782496556.db2.gz JLEXPIZMZQJQHJ-AGIUHOORSA-N 2 1 285.388 -1.176 20 0 CAADMP CN(C(=O)C[C@H]1CC[N@@H+](C)C1)[C@H]1C[NH+](CCO)C[C@@H]1O ZINC001047597865 782496560 /nfs/dbraw/zinc/49/65/60/782496560.db2.gz JLEXPIZMZQJQHJ-AGIUHOORSA-N 2 1 285.388 -1.176 20 0 CAADMP CN1CCO[C@H](C(=O)N2C[C@@H]3C[N@H+](CCO)C[C@@H]3C2)C1 ZINC001048739871 782516074 /nfs/dbraw/zinc/51/60/74/782516074.db2.gz POJALJALUGRRHZ-XQQFMLRXSA-N 2 1 283.372 -1.301 20 0 CAADMP C[N@@H+]1CCO[C@H](C(=O)N2C[C@@H]3C[NH+](CCO)C[C@@H]3C2)C1 ZINC001048739871 782516081 /nfs/dbraw/zinc/51/60/81/782516081.db2.gz POJALJALUGRRHZ-XQQFMLRXSA-N 2 1 283.372 -1.301 20 0 CAADMP C[N@H+]1CCO[C@H](C(=O)N2C[C@@H]3C[NH+](CCO)C[C@@H]3C2)C1 ZINC001048739871 782516090 /nfs/dbraw/zinc/51/60/90/782516090.db2.gz POJALJALUGRRHZ-XQQFMLRXSA-N 2 1 283.372 -1.301 20 0 CAADMP C[NH+]1CCO[C@H](C(=O)N2C[C@@H]3C[N@@H+](CCO)C[C@@H]3C2)C1 ZINC001048739871 782516098 /nfs/dbraw/zinc/51/60/98/782516098.db2.gz POJALJALUGRRHZ-XQQFMLRXSA-N 2 1 283.372 -1.301 20 0 CAADMP C[NH+]1CCO[C@H](C(=O)N2C[C@@H]3C[N@H+](CCO)C[C@@H]3C2)C1 ZINC001048739871 782516102 /nfs/dbraw/zinc/51/61/02/782516102.db2.gz POJALJALUGRRHZ-XQQFMLRXSA-N 2 1 283.372 -1.301 20 0 CAADMP CON1CC[C@H]([N@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)C1=O ZINC000903422458 782532335 /nfs/dbraw/zinc/53/23/35/782532335.db2.gz DJJXZHVYDHSSDN-QWRGUYRKSA-N 2 1 284.360 -1.064 20 0 CAADMP C[N@H+]1CC[C@H](C(=O)N2C[C@@H]3C[NH+](CC(N)=O)C[C@@H]3C2)C1 ZINC001049213436 782532742 /nfs/dbraw/zinc/53/27/42/782532742.db2.gz QIDDIUKADHZGEM-SDDRHHMPSA-N 2 1 280.372 -1.186 20 0 CAADMP C[NH+]1CC[C@H](C(=O)N2C[C@@H]3C[N@@H+](CC(N)=O)C[C@@H]3C2)C1 ZINC001049213436 782532749 /nfs/dbraw/zinc/53/27/49/782532749.db2.gz QIDDIUKADHZGEM-SDDRHHMPSA-N 2 1 280.372 -1.186 20 0 CAADMP C[NH+]1CC[C@H](C(=O)N2C[C@@H]3C[N@H+](CC(N)=O)C[C@@H]3C2)C1 ZINC001049213436 782532753 /nfs/dbraw/zinc/53/27/53/782532753.db2.gz QIDDIUKADHZGEM-SDDRHHMPSA-N 2 1 280.372 -1.186 20 0 CAADMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+](CCc1nnnn1C)C2 ZINC000903494312 782533744 /nfs/dbraw/zinc/53/37/44/782533744.db2.gz BRYDBPATCKSGAA-CWSCBRNRSA-N 2 1 294.359 -1.035 20 0 CAADMP C[C@@H]1C[N@@H+](CC(=O)N2CCNC(=O)C2)C[C@H]1CC[NH3+] ZINC000903496554 782534963 /nfs/dbraw/zinc/53/49/63/782534963.db2.gz SEXILFMSRYGFTJ-GHMZBOCLSA-N 2 1 268.361 -1.139 20 0 CAADMP Cn1ncc(C[NH2+]CCNC(=O)CC[NH+](C)C)n1 ZINC001133287300 776773729 /nfs/dbraw/zinc/77/37/29/776773729.db2.gz GOWKVTKQNZMPGJ-UHFFFAOYSA-N 2 1 254.338 -1.027 20 0 CAADMP Cn1nnnc1C[NH2+]CCNC(=O)C1CC[NH+](C)CC1 ZINC001133285900 776774742 /nfs/dbraw/zinc/77/47/42/776774742.db2.gz NPBABISRAHMSQE-UHFFFAOYSA-N 2 1 281.364 -1.242 20 0 CAADMP CN1CCN(C(=O)COCC[NH3+])CC[N@@H+](C)CC1 ZINC001122376985 779666354 /nfs/dbraw/zinc/66/63/54/779666354.db2.gz HKKJAKWIDXAVPD-UHFFFAOYSA-N 2 1 258.366 -1.333 20 0 CAADMP C[NH+](C)CCNC(=O)[C@@H](N)CN1CCC([NH3+])CC1 ZINC001219553569 780228129 /nfs/dbraw/zinc/22/81/29/780228129.db2.gz AOFSLMRLUDQDLA-NSHDSACASA-N 2 1 257.382 -1.585 20 0 CAADMP C[NH+]1CCC(C(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@@H]32)CC1 ZINC001143317282 779773963 /nfs/dbraw/zinc/77/39/63/779773963.db2.gz FJJQCOHYMYVXLE-GARJFASQSA-N 2 1 268.365 -2.153 20 0 CAADMP O=S(=O)(CC1CC[NH2+]CC1)N1CC[NH2+]C[C@@H]1CO ZINC001239072717 780530591 /nfs/dbraw/zinc/53/05/91/780530591.db2.gz BLJJRSPVAGDVFT-LLVKDONJSA-N 2 1 277.390 -1.418 20 0 CAADMP COC(=O)[C@@H]([NH3+])[C@@H]1CCCN(S(=O)(=O)CC[NH3+])C1 ZINC001239129883 780532447 /nfs/dbraw/zinc/53/24/47/780532447.db2.gz QERFGGFRDGMFME-BDAKNGLRSA-N 2 1 279.362 -1.513 20 0 CAADMP COC(=O)[C@@H]1C[C@@H](N2CCO[C@@H]3C[NH2+]C[C@H]32)C[NH2+]1 ZINC001246624360 780558214 /nfs/dbraw/zinc/55/82/14/780558214.db2.gz DRGJTCBDJOGNHF-LMLFDSFASA-N 2 1 255.318 -1.438 20 0 CAADMP C1[NH2+]CC12C[C@@H](N1CC[NH2+]C[C@@]13CC[NH2+]C3)CCN2 ZINC001246623759 780558310 /nfs/dbraw/zinc/55/83/10/780558310.db2.gz KZPBOXKADJIQPN-JSGCOSHPSA-N 3 1 265.405 -1.282 20 0 CAADMP COC(=O)[C@@H]1C[C@H](N2CCO[C@@H]3C[NH2+]C[C@@H]3C2)C[NH2+]1 ZINC001246623001 780558332 /nfs/dbraw/zinc/55/83/32/780558332.db2.gz JGCKGVJZCRPDKC-NOOOWODRSA-N 2 1 269.345 -1.190 20 0 CAADMP C1[NH2+]CC12C[C@H](N1CC[NH2+]C[C@]13CC[NH2+]C3)CCN2 ZINC001246623762 780558354 /nfs/dbraw/zinc/55/83/54/780558354.db2.gz KZPBOXKADJIQPN-TZMCWYRMSA-N 3 1 265.405 -1.282 20 0 CAADMP C1[NH2+]CC12C[C@H](N1CC[NH2+]C[C@@]13CC[NH2+]C3)CCN2 ZINC001246623760 780558387 /nfs/dbraw/zinc/55/83/87/780558387.db2.gz KZPBOXKADJIQPN-OCCSQVGLSA-N 3 1 265.405 -1.282 20 0 CAADMP COC(=O)[C@@H]1C[C@@H](N2CCO[C@@H]3C[NH2+]C[C@@H]3C2)C[NH2+]1 ZINC001246623002 780558424 /nfs/dbraw/zinc/55/84/24/780558424.db2.gz JGCKGVJZCRPDKC-WISYIIOYSA-N 2 1 269.345 -1.190 20 0 CAADMP CCOC(=O)[C@@H]1C[NH2+]CCN1[C@H]1C[NH2+][C@H](C(=O)OC)C1 ZINC001246601256 780558475 /nfs/dbraw/zinc/55/84/75/780558475.db2.gz IREBAESGBHUQQB-VWYCJHECSA-N 2 1 285.344 -1.273 20 0 CAADMP COC(=O)[C@@H]1C[C@H](N2CCOC[C@@]3(C[NH2+]CCO3)C2)C[NH2+]1 ZINC001246602092 780558638 /nfs/dbraw/zinc/55/86/38/780558638.db2.gz IYRLUCUHRVKWFS-SGMGOOAPSA-N 2 1 299.371 -1.419 20 0 CAADMP COC[C@H]1CN([C@H]2C[NH2+][C@H](C(=O)OC)C2)CC[NH2+]1 ZINC001246590856 780558738 /nfs/dbraw/zinc/55/87/38/780558738.db2.gz DDUCJIDRXNTXRB-MXWKQRLJSA-N 2 1 257.334 -1.190 20 0 CAADMP C1[NH2+]CC12C[C@@H]([N@H+]1CCOC[C@@]3(CNCCO3)C1)CCN2 ZINC001246601125 780558915 /nfs/dbraw/zinc/55/89/15/780558915.db2.gz GWKQNTLTTFMTDT-DZGCQCFKSA-N 2 1 296.415 -1.229 20 0 CAADMP C[N@@H+]1CCC[C@H](N2CN[C@H]([NH3+])[C@H]3NCN[C@H]32)CC1 ZINC001254513360 780605274 /nfs/dbraw/zinc/60/52/74/780605274.db2.gz XDKAHFBMZLJHQB-USZNOCQGSA-N 2 1 254.382 -1.537 20 0 CAADMP C[N@H+]1CCC[C@H](N2CN[C@H]([NH3+])[C@H]3NCN[C@H]32)CC1 ZINC001254513360 780605275 /nfs/dbraw/zinc/60/52/75/780605275.db2.gz XDKAHFBMZLJHQB-USZNOCQGSA-N 2 1 254.382 -1.537 20 0 CAADMP COC(=O)[C@@H]([NH3+])CCC(=O)N[C@@H](CCC[NH3+])C(=O)OC ZINC001221188412 780406218 /nfs/dbraw/zinc/40/62/18/780406218.db2.gz VSUDDNVXMOHPGD-IUCAKERBSA-N 2 1 289.332 -1.336 20 0 CAADMP [NH3+]CC1CCC(C(=O)N2CN[C@H]([NH3+])[C@H]3NCN[C@H]32)CC1 ZINC001221265053 780409693 /nfs/dbraw/zinc/40/96/93/780409693.db2.gz FXROCIOVEPVTRW-UFJRKFNTSA-N 2 1 282.392 -1.729 20 0 CAADMP [NH3+][C@@H]1NCN(C(=O)CC2CC[NH2+]CC2)[C@H]2NCN[C@@H]21 ZINC001221265100 780409705 /nfs/dbraw/zinc/40/97/05/780409705.db2.gz GTSCASICYGTZMQ-IJLUTSLNSA-N 2 1 268.365 -2.105 20 0 CAADMP [NH3+][C@@H]1NCN(C(=O)CN2CC[NH2+]CC2)[C@H]2NCN[C@H]21 ZINC001221264966 780409754 /nfs/dbraw/zinc/40/97/54/780409754.db2.gz DGPHKQZZHVOXMU-HBNTYKKESA-N 2 1 269.353 -3.589 20 0 CAADMP [NH3+][C@@H]1NCN(C(=O)C2CC3(C[NH2+]C3)C2)[C@H]2NCN[C@@H]21 ZINC001221265143 780409807 /nfs/dbraw/zinc/40/98/07/780409807.db2.gz HFKMDXQFYVKZIS-OPRDCNLKSA-N 2 1 266.349 -2.495 20 0 CAADMP [NH3+][C@@H]1NCN(C(=O)C=C2CC[NH2+]CC2)[C@@H]2NCN[C@H]21 ZINC001221266532 780409883 /nfs/dbraw/zinc/40/98/83/780409883.db2.gz WWTIXXQOVDMVCQ-TUAOUCFPSA-N 2 1 266.349 -2.185 20 0 CAADMP [NH3+]CC1CCC(C(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@@H]32)CC1 ZINC001221265055 780409970 /nfs/dbraw/zinc/40/99/70/780409970.db2.gz FXROCIOVEPVTRW-VJROTNAKSA-N 2 1 282.392 -1.729 20 0 CAADMP [NH3+]CC1CCC(C(=O)N2CN[C@H]([NH3+])[C@H]3NCN[C@@H]32)CC1 ZINC001221265052 780410133 /nfs/dbraw/zinc/41/01/33/780410133.db2.gz FXROCIOVEPVTRW-UAQGADGFSA-N 2 1 282.392 -1.729 20 0 CAADMP C[NH2+][C@@H](CC(C)C)C(=O)N1CN[C@H]([NH3+])[C@H]2NCN[C@@H]21 ZINC001221265067 780410177 /nfs/dbraw/zinc/41/01/77/780410177.db2.gz FYLIOXVZGXKFDM-ZRUFSTJUSA-N 2 1 270.381 -1.860 20 0 CAADMP [NH3+][C@@H]1NCN(C(=O)CC2CC[NH2+]CC2)[C@@H]2NCN[C@H]21 ZINC001221265102 780410215 /nfs/dbraw/zinc/41/02/15/780410215.db2.gz GTSCASICYGTZMQ-TUAOUCFPSA-N 2 1 268.365 -2.105 20 0 CAADMP [NH3+][C@@H]1NCN(C(=O)CN2CC[NH2+]CC2)[C@H]2NCN[C@@H]21 ZINC001221264965 780410303 /nfs/dbraw/zinc/41/03/03/780410303.db2.gz DGPHKQZZHVOXMU-GMTAPVOTSA-N 2 1 269.353 -3.589 20 0 CAADMP CC(C)C[C@@](C)([NH3+])C(=O)N1CN[C@H]([NH3+])[C@@H]2NCN[C@H]21 ZINC001221265132 780410327 /nfs/dbraw/zinc/41/03/27/780410327.db2.gz HCTPVDOTUFQCPW-QFOLPQNPSA-N 2 1 270.381 -1.731 20 0 CAADMP C[NH2+][C@@H](CC(C)C)C(=O)N1CN[C@H]([NH3+])[C@H]2NCN[C@H]21 ZINC001221265065 780410501 /nfs/dbraw/zinc/41/05/01/780410501.db2.gz FYLIOXVZGXKFDM-VLEAKVRGSA-N 2 1 270.381 -1.860 20 0 CAADMP C[NH2+][C@@H](CC(C)C)C(=O)N1CN[C@H]([NH3+])[C@@H]2NCN[C@@H]21 ZINC001221265066 780410637 /nfs/dbraw/zinc/41/06/37/780410637.db2.gz FYLIOXVZGXKFDM-XWLWVQCSSA-N 2 1 270.381 -1.860 20 0 CAADMP [NH3+]Cc1ccccc1C(=O)N1CN[C@H]([NH3+])[C@@H]2NCN[C@@H]21 ZINC001221269111 780412800 /nfs/dbraw/zinc/41/28/00/780412800.db2.gz HXZNXWJGRXJBMT-SDDRHHMPSA-N 2 1 276.344 -1.722 20 0 CAADMP [NH3+]Cc1ccccc1C(=O)N1CN[C@H]([NH3+])[C@H]2NCN[C@@H]21 ZINC001221269108 780412914 /nfs/dbraw/zinc/41/29/14/780412914.db2.gz HXZNXWJGRXJBMT-GRYCIOLGSA-N 2 1 276.344 -1.722 20 0 CAADMP [NH3+]Cc1cccc(C(=O)N2CN[C@H]([NH3+])[C@H]3NCN[C@H]32)c1 ZINC001221269861 780413076 /nfs/dbraw/zinc/41/30/76/780413076.db2.gz ZQFQTWXAJBHUME-WOPDTQHZSA-N 2 1 276.344 -1.722 20 0 CAADMP [NH3+]Cc1ccccc1C(=O)N1CN[C@H]([NH3+])[C@H]2NCN[C@H]21 ZINC001221269115 780413166 /nfs/dbraw/zinc/41/31/66/780413166.db2.gz HXZNXWJGRXJBMT-WOPDTQHZSA-N 2 1 276.344 -1.722 20 0 CAADMP [NH3+]Cc1cccc(C(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@H]32)c1 ZINC001221269860 780413207 /nfs/dbraw/zinc/41/32/07/780413207.db2.gz ZQFQTWXAJBHUME-SRVKXCTJSA-N 2 1 276.344 -1.722 20 0 CAADMP [NH3+]CCS(=O)(=O)NCC[N@@H+]1CCC[C@@H](O)C1 ZINC001238681861 780522111 /nfs/dbraw/zinc/52/21/11/780522111.db2.gz RFYBTKYGSKWJBR-SECBINFHSA-N 2 1 251.352 -1.679 20 0 CAADMP [NH3+]CCS(=O)(=O)NCC[N@H+]1CCC[C@@H](O)C1 ZINC001238681861 780522118 /nfs/dbraw/zinc/52/21/18/780522118.db2.gz RFYBTKYGSKWJBR-SECBINFHSA-N 2 1 251.352 -1.679 20 0 CAADMP COC(=O)[C@H]1C[N@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)CCO1 ZINC001246565113 781455043 /nfs/dbraw/zinc/45/50/43/781455043.db2.gz ACEWGEIMMGLFCK-GHMZBOCLSA-N 2 1 269.345 -1.046 20 0 CAADMP CC1(C)C[N@H+](CCNC(=O)C[C@H](O)C[NH3+])CCO1 ZINC001263098044 780720183 /nfs/dbraw/zinc/72/01/83/780720183.db2.gz QDNBALMRORCHJX-JTQLQIEISA-N 2 1 259.350 -1.077 20 0 CAADMP CC1(C)C[N@@H+](CCNC(=O)C[C@H](O)C[NH3+])CCO1 ZINC001263098044 780720188 /nfs/dbraw/zinc/72/01/88/780720188.db2.gz QDNBALMRORCHJX-JTQLQIEISA-N 2 1 259.350 -1.077 20 0 CAADMP C[NH2+]C[C@@H](O)[C@H](C)C(=O)NCCC[NH+]1CCN(C)CC1 ZINC001263103367 780720285 /nfs/dbraw/zinc/72/02/85/780720285.db2.gz XFBVVOKCAFPNGK-QWHCGFSZSA-N 2 1 286.420 -1.044 20 0 CAADMP COC(=O)CN1CCN(C(=O)[C@@H]([NH3+])CC[NH3+])CC1 ZINC001160531360 781448152 /nfs/dbraw/zinc/44/81/52/781448152.db2.gz NCBHHYAWSJPIEI-VIFPVBQESA-N 2 1 258.322 -2.020 20 0 CAADMP C[C@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)COCC[NH+](C)C ZINC001115126828 781912075 /nfs/dbraw/zinc/91/20/75/781912075.db2.gz VTVBIORXIPSNJA-DCQANWLSSA-N 2 1 298.387 -1.515 20 0 CAADMP C[C@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)COCC[NH+](C)C ZINC001115126828 781912081 /nfs/dbraw/zinc/91/20/81/781912081.db2.gz VTVBIORXIPSNJA-DCQANWLSSA-N 2 1 298.387 -1.515 20 0 CAADMP C[NH+](C)CCC(=O)N[C@H]1CC[N@@H+](CCO)C[C@H]1O ZINC001099988124 782847278 /nfs/dbraw/zinc/84/72/78/782847278.db2.gz CMMQLILGXWMAHX-WDEREUQCSA-N 2 1 259.350 -1.518 20 0 CAADMP C[NH+](C)CC1(C(=O)N[C@H]2CC[N@@H+](CCO)C[C@H]2O)CC1 ZINC001099971880 782844833 /nfs/dbraw/zinc/84/48/33/782844833.db2.gz NQAIKMNRHMXHEJ-NWDGAFQWSA-N 2 1 285.388 -1.128 20 0 CAADMP C[NH+](C)CCC(=O)N[C@H]1CC[N@@H+](CCO)C[C@@H]1O ZINC001099988123 782847503 /nfs/dbraw/zinc/84/75/03/782847503.db2.gz CMMQLILGXWMAHX-QWRGUYRKSA-N 2 1 259.350 -1.518 20 0 CAADMP C[NH+](C)CC1(C(=O)N[C@@H]2CC[N@@H+](CCO)C[C@H]2O)CC1 ZINC001099971882 782846073 /nfs/dbraw/zinc/84/60/73/782846073.db2.gz NQAIKMNRHMXHEJ-VXGBXAGGSA-N 2 1 285.388 -1.128 20 0 CAADMP C[NH+](C)CCC(=O)N[C@@H]1CC[N@@H+](CCCO)C[C@@H]1O ZINC001099988253 782847816 /nfs/dbraw/zinc/84/78/16/782847816.db2.gz FVWGTARKHQXXAQ-NEPJUHHUSA-N 2 1 273.377 -1.128 20 0 CAADMP CC[NH+](CC)CC(=O)N[C@H]1CC[N@@H+](CCO)C[C@@H]1O ZINC001100042087 782848290 /nfs/dbraw/zinc/84/82/90/782848290.db2.gz SVELYLIISDMRHU-RYUDHWBXSA-N 2 1 273.377 -1.128 20 0 CAADMP CC[NH+](CC)CC(=O)N[C@@H]1CC[N@@H+](CCO)C[C@@H]1O ZINC001100042085 782848732 /nfs/dbraw/zinc/84/87/32/782848732.db2.gz SVELYLIISDMRHU-NEPJUHHUSA-N 2 1 273.377 -1.128 20 0 CAADMP CC[NH+](CC)CC(=O)N[C@H]1CC[N@@H+](CCO)C[C@H]1O ZINC001100042086 782848854 /nfs/dbraw/zinc/84/88/54/782848854.db2.gz SVELYLIISDMRHU-NWDGAFQWSA-N 2 1 273.377 -1.128 20 0 CAADMP C[NH+](C)CCOCC(=O)N[C@H]1CC[N@@H+](CCO)C[C@H]1O ZINC001100074268 782850765 /nfs/dbraw/zinc/85/07/65/782850765.db2.gz KPEQMVQZGCDLGV-NWDGAFQWSA-N 2 1 289.376 -1.892 20 0 CAADMP CC[N@@H+](C)CCC(=O)N[C@H]1CC[NH+](CCO)C[C@H]1O ZINC001100067429 782850959 /nfs/dbraw/zinc/85/09/59/782850959.db2.gz RMAWJWFVYVUYRH-NWDGAFQWSA-N 2 1 273.377 -1.128 20 0 CAADMP CC[NH+](C)CCC(=O)N[C@H]1CC[N@H+](CCO)C[C@H]1O ZINC001100067429 782850963 /nfs/dbraw/zinc/85/09/63/782850963.db2.gz RMAWJWFVYVUYRH-NWDGAFQWSA-N 2 1 273.377 -1.128 20 0 CAADMP CC[NH+](C)CCC(=O)N[C@H]1CC[N@@H+](CCO)C[C@H]1O ZINC001100067429 782850968 /nfs/dbraw/zinc/85/09/68/782850968.db2.gz RMAWJWFVYVUYRH-NWDGAFQWSA-N 2 1 273.377 -1.128 20 0 CAADMP C[NH+](C)CCOCC(=O)N[C@H]1CC[N@@H+](CCO)C[C@@H]1O ZINC001100074269 782851080 /nfs/dbraw/zinc/85/10/80/782851080.db2.gz KPEQMVQZGCDLGV-RYUDHWBXSA-N 2 1 289.376 -1.892 20 0 CAADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CC[NH+](CCO)C[C@@H]1O ZINC001100080124 782851771 /nfs/dbraw/zinc/85/17/71/782851771.db2.gz DURPOJVYQATREV-NEPJUHHUSA-N 2 1 273.377 -1.128 20 0 CAADMP CCC[NH+](C)CC(=O)N[C@@H]1CC[N@H+](CCO)C[C@@H]1O ZINC001100080124 782851779 /nfs/dbraw/zinc/85/17/79/782851779.db2.gz DURPOJVYQATREV-NEPJUHHUSA-N 2 1 273.377 -1.128 20 0 CAADMP CCC[NH+](C)CC(=O)N[C@@H]1CC[N@@H+](CCO)C[C@@H]1O ZINC001100080124 782851788 /nfs/dbraw/zinc/85/17/88/782851788.db2.gz DURPOJVYQATREV-NEPJUHHUSA-N 2 1 273.377 -1.128 20 0 CAADMP C[NH+](C)CCOCC(=O)N[C@@H]1CC[N@@H+](CCO)C[C@@H]1O ZINC001100074267 782851973 /nfs/dbraw/zinc/85/19/73/782851973.db2.gz KPEQMVQZGCDLGV-NEPJUHHUSA-N 2 1 289.376 -1.892 20 0 CAADMP O=C(CC[NH+]1CCOCC1)N[C@@H]1[C@H]2C[N@@H+](CCO)C[C@H]21 ZINC001114980630 782877885 /nfs/dbraw/zinc/87/78/85/782877885.db2.gz VIQLVXTXEJMPDJ-IMRBUKKESA-N 2 1 283.372 -1.253 20 0 CAADMP O=C(CC[NH+]1CCOCC1)N[C@@H]1[C@H]2C[N@H+](CCO)C[C@H]21 ZINC001114980630 782877895 /nfs/dbraw/zinc/87/78/95/782877895.db2.gz VIQLVXTXEJMPDJ-IMRBUKKESA-N 2 1 283.372 -1.253 20 0 CAADMP CNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)COCC[NH+](C)C ZINC001115119391 782879230 /nfs/dbraw/zinc/87/92/30/782879230.db2.gz WOAJOQZKVVMCHA-YABSGUDNSA-N 2 1 298.387 -1.643 20 0 CAADMP CNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)COCC[NH+](C)C ZINC001115119391 782879236 /nfs/dbraw/zinc/87/92/36/782879236.db2.gz WOAJOQZKVVMCHA-YABSGUDNSA-N 2 1 298.387 -1.643 20 0 CAADMP CCC[N@H+](C)CC(=O)N[C@@H]1[C@H]2C[NH+](CC(N)=O)C[C@H]21 ZINC001115159157 782879532 /nfs/dbraw/zinc/87/95/32/782879532.db2.gz FKIIIYFTRVKSBE-IWIIMEHWSA-N 2 1 268.361 -1.140 20 0 CAADMP CCC[N@@H+](C)CC(=O)N[C@@H]1[C@H]2C[NH+](CC(N)=O)C[C@H]21 ZINC001115159157 782879537 /nfs/dbraw/zinc/87/95/37/782879537.db2.gz FKIIIYFTRVKSBE-IWIIMEHWSA-N 2 1 268.361 -1.140 20 0 CAADMP CCC[NH+](C)CC(=O)N[C@@H]1[C@H]2C[N@H+](CC(N)=O)C[C@H]21 ZINC001115159157 782879542 /nfs/dbraw/zinc/87/95/42/782879542.db2.gz FKIIIYFTRVKSBE-IWIIMEHWSA-N 2 1 268.361 -1.140 20 0 CAADMP CCC[NH+](C)CC(=O)N[C@@H]1[C@H]2C[N@@H+](CC(N)=O)C[C@H]21 ZINC001115159157 782879546 /nfs/dbraw/zinc/87/95/46/782879546.db2.gz FKIIIYFTRVKSBE-IWIIMEHWSA-N 2 1 268.361 -1.140 20 0 CAADMP C[N@H+]1CC[C@H](C(=O)N[C@@H]2[C@H]3C[NH+](CCOCCO)C[C@H]32)C1 ZINC001115241924 782880572 /nfs/dbraw/zinc/88/05/72/782880572.db2.gz RMCKKPSMYVEALJ-IGQOVBAYSA-N 2 1 297.399 -1.007 20 0 CAADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2[C@H]3C[N@H+](CCOCCO)C[C@H]32)C1 ZINC001115241924 782880578 /nfs/dbraw/zinc/88/05/78/782880578.db2.gz RMCKKPSMYVEALJ-IGQOVBAYSA-N 2 1 297.399 -1.007 20 0 CAADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](CCOCCO)C[C@H]32)C1 ZINC001115241924 782880587 /nfs/dbraw/zinc/88/05/87/782880587.db2.gz RMCKKPSMYVEALJ-IGQOVBAYSA-N 2 1 297.399 -1.007 20 0 CAADMP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2[C@H]3C[NH+](CCOCCO)C[C@H]32)C1 ZINC001115241925 782880874 /nfs/dbraw/zinc/88/08/74/782880874.db2.gz RMCKKPSMYVEALJ-MQYQWHSLSA-N 2 1 297.399 -1.007 20 0 CAADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2[C@H]3C[N@H+](CCOCCO)C[C@H]32)C1 ZINC001115241925 782880879 /nfs/dbraw/zinc/88/08/79/782880879.db2.gz RMCKKPSMYVEALJ-MQYQWHSLSA-N 2 1 297.399 -1.007 20 0 CAADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](CCOCCO)C[C@H]32)C1 ZINC001115241925 782880884 /nfs/dbraw/zinc/88/08/84/782880884.db2.gz RMCKKPSMYVEALJ-MQYQWHSLSA-N 2 1 297.399 -1.007 20 0 CAADMP C[C@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)[NH2+]CCCO ZINC001266929652 775186851 /nfs/dbraw/zinc/18/68/51/775186851.db2.gz JEFKEFBWHIOMCY-GHMZBOCLSA-N 2 1 259.350 -1.206 20 0 CAADMP C[C@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)[NH2+]CCCO ZINC001266929652 775186853 /nfs/dbraw/zinc/18/68/53/775186853.db2.gz JEFKEFBWHIOMCY-GHMZBOCLSA-N 2 1 259.350 -1.206 20 0 CAADMP COCC[N@@H+](C)C[C@H](O)CN1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000382382047 775196865 /nfs/dbraw/zinc/19/68/65/775196865.db2.gz RNVWLIXNNZQXKW-AVGNSLFASA-N 2 1 275.393 -1.027 20 0 CAADMP COCC[N@@H+](C)C[C@H](O)CN1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000382382051 775197307 /nfs/dbraw/zinc/19/73/07/775197307.db2.gz RNVWLIXNNZQXKW-RWMBFGLXSA-N 2 1 275.393 -1.027 20 0 CAADMP Cc1[nH+]ccn1CC(=O)NCCN(C)CC(N)=O ZINC001267230012 775218199 /nfs/dbraw/zinc/21/81/99/775218199.db2.gz DYBRTJHQOQKMPW-UHFFFAOYSA-N 2 1 253.306 -1.275 20 0 CAADMP CC[NH+](CC)CC(=O)N[C@@H]1[C@H]2C[N@H+](CC(N)=O)C[C@H]21 ZINC001114992459 775222588 /nfs/dbraw/zinc/22/25/88/775222588.db2.gz VSSGUDPAKIJPES-IWIIMEHWSA-N 2 1 268.361 -1.140 20 0 CAADMP CC[NH+](CC)CC(=O)N[C@@H]1[C@H]2C[N@@H+](CC(N)=O)C[C@H]21 ZINC001114992459 775222597 /nfs/dbraw/zinc/22/25/97/775222597.db2.gz VSSGUDPAKIJPES-IWIIMEHWSA-N 2 1 268.361 -1.140 20 0 CAADMP CNC(=O)C[NH2+]CCN(CCO)C(=O)[C@@H]1CCC[N@H+]1C ZINC001279672161 775241919 /nfs/dbraw/zinc/24/19/19/775241919.db2.gz FACUPROBQPZTGR-NSHDSACASA-N 2 1 286.376 -1.763 20 0 CAADMP CN(CCNCc1nc(=O)n(C)[nH]1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001267469986 775249418 /nfs/dbraw/zinc/24/94/18/775249418.db2.gz RTHRVBBIILTZQQ-JTQLQIEISA-N 2 1 296.375 -1.392 20 0 CAADMP CC[N@@H+](C)C[C@@H](O)CN1CCC(O)(C(N)=O)CC1 ZINC000311021121 775287227 /nfs/dbraw/zinc/28/72/27/775287227.db2.gz LSPJZFZIZKDJAR-SNVBAGLBSA-N 2 1 259.350 -1.389 20 0 CAADMP CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001267749974 775299214 /nfs/dbraw/zinc/29/92/14/775299214.db2.gz VVLYSVGJKWQWMK-SNVBAGLBSA-N 2 1 256.350 -1.125 20 0 CAADMP CNC(=O)C[N@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001267749974 775299223 /nfs/dbraw/zinc/29/92/23/775299223.db2.gz VVLYSVGJKWQWMK-SNVBAGLBSA-N 2 1 256.350 -1.125 20 0 CAADMP C[N@@H+](C1CN(C(=O)[C@@H]2C[NH2+]C[C@@H]2O)C1)[C@H]1CCOC1 ZINC001161497767 775317175 /nfs/dbraw/zinc/31/71/75/775317175.db2.gz DGGICGJJCOTFID-WCQGTBRESA-N 2 1 269.345 -1.502 20 0 CAADMP C[N@@H+](C1CN(C(=O)C[C@@H](O)C[NH3+])C1)[C@H]1CCOC1 ZINC001161498063 775317399 /nfs/dbraw/zinc/31/73/99/775317399.db2.gz HEWSOAIDWHCVHL-GXSJLCMTSA-N 2 1 257.334 -1.372 20 0 CAADMP C[N@@H+](C1CN(C(=O)[C@@H]2C[NH2+]C[C@H]2O)C1)[C@H]1CCOC1 ZINC001161497766 775318452 /nfs/dbraw/zinc/31/84/52/775318452.db2.gz DGGICGJJCOTFID-MVWJERBFSA-N 2 1 269.345 -1.502 20 0 CAADMP C[C@H](CNC(=O)[C@@H]1CCC[N@H+]1C)C[NH2+]CC(N)=O ZINC001267982537 775321763 /nfs/dbraw/zinc/32/17/63/775321763.db2.gz WFBJXSLIDYCHIU-UWVGGRQHSA-N 2 1 256.350 -1.092 20 0 CAADMP C[C@@H](CNC(=O)[C@@H]1CCC[N@H+]1C)C[NH2+]CC(N)=O ZINC001267982539 775323500 /nfs/dbraw/zinc/32/35/00/775323500.db2.gz WFBJXSLIDYCHIU-ZJUUUORDSA-N 2 1 256.350 -1.092 20 0 CAADMP C[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)C[NH2+]CC(N)=O ZINC001268013891 775330089 /nfs/dbraw/zinc/33/00/89/775330089.db2.gz HAAMCVIXWGRNJZ-ZJUUUORDSA-N 2 1 256.350 -1.235 20 0 CAADMP COCC[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001268294734 775392863 /nfs/dbraw/zinc/39/28/63/775392863.db2.gz AMRUCRRRKHYXSY-GHMZBOCLSA-N 2 1 259.350 -1.206 20 0 CAADMP COCC[NH2+]C[C@H](O)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001268294747 775392998 /nfs/dbraw/zinc/39/29/98/775392998.db2.gz AMRUCRRRKHYXSY-WDEREUQCSA-N 2 1 259.350 -1.206 20 0 CAADMP O=C(CC[NH+]1CCOCC1)NC[C@H](O)C[NH2+]CCF ZINC001268329177 775405040 /nfs/dbraw/zinc/40/50/40/775405040.db2.gz SMYJAKHQAOJXPI-LLVKDONJSA-N 2 1 277.340 -1.255 20 0 CAADMP C[N@H+]1CC[C@H](C(=O)NC[C@@H](O)C[NH2+]CCCO)C1 ZINC001268335762 775408256 /nfs/dbraw/zinc/40/82/56/775408256.db2.gz OZVGFLALASIDEY-QWRGUYRKSA-N 2 1 259.350 -1.613 20 0 CAADMP CCN(CC[NH2+]CC(N)=O)C(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001268500995 775424597 /nfs/dbraw/zinc/42/45/97/775424597.db2.gz UDLSWIPQDAYJIM-LLVKDONJSA-N 2 1 286.376 -1.370 20 0 CAADMP CNC(=O)C[NH2+]C/C=C/CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001268522397 775427533 /nfs/dbraw/zinc/42/75/33/775427533.db2.gz RMRPYRVZJYVKJV-UFFNRZRYSA-N 2 1 284.360 -1.675 20 0 CAADMP CNC(=O)C[NH2+]C/C=C/CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001268522397 775427536 /nfs/dbraw/zinc/42/75/36/775427536.db2.gz RMRPYRVZJYVKJV-UFFNRZRYSA-N 2 1 284.360 -1.675 20 0 CAADMP CNC(=O)C[NH2+]C/C=C\CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001268522395 775427904 /nfs/dbraw/zinc/42/79/04/775427904.db2.gz RMRPYRVZJYVKJV-DLRQAJBASA-N 2 1 284.360 -1.675 20 0 CAADMP CNC(=O)C[NH2+]C/C=C\CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001268522395 775427910 /nfs/dbraw/zinc/42/79/10/775427910.db2.gz RMRPYRVZJYVKJV-DLRQAJBASA-N 2 1 284.360 -1.675 20 0 CAADMP [NH3+]C1CCN(c2nc(NC(CO)(CO)CO)cc[nH+]2)CC1 ZINC001167925943 775434716 /nfs/dbraw/zinc/43/47/16/775434716.db2.gz CRKGQVNMRRWWMJ-UHFFFAOYSA-N 2 1 297.359 -1.468 20 0 CAADMP CC[N@@H+]1CCO[C@@H](C(=O)NC/C=C/C[NH2+]CC(N)=O)C1 ZINC001268628378 775459138 /nfs/dbraw/zinc/45/91/38/775459138.db2.gz MTOSUOOUGUTRPI-PGLGOXFNSA-N 2 1 284.360 -1.546 20 0 CAADMP CC[N@H+]1CCO[C@@H](C(=O)NC/C=C/C[NH2+]CC(N)=O)C1 ZINC001268628378 775459140 /nfs/dbraw/zinc/45/91/40/775459140.db2.gz MTOSUOOUGUTRPI-PGLGOXFNSA-N 2 1 284.360 -1.546 20 0 CAADMP CN(CCC[NH2+][C@H]1CCNC1=O)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001268786082 775474497 /nfs/dbraw/zinc/47/44/97/775474497.db2.gz KZQFMBNBBHDWMS-RYUDHWBXSA-N 2 1 298.387 -1.356 20 0 CAADMP CN(CCC[NH2+][C@H]1CCNC1=O)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001268786082 775474503 /nfs/dbraw/zinc/47/45/03/775474503.db2.gz KZQFMBNBBHDWMS-RYUDHWBXSA-N 2 1 298.387 -1.356 20 0 CAADMP CN(CC(=O)N1C[C@@H]2C[N@@H+](C)C[C@H](C1)O2)C(N)=[NH2+] ZINC001268997061 775481600 /nfs/dbraw/zinc/48/16/00/775481600.db2.gz SXNSNTDQBUKHJR-DTORHVGOSA-N 2 1 255.322 -1.647 20 0 CAADMP CN(CC(=O)N1C[C@@H]2C[N@H+](C)C[C@H](C1)O2)C(N)=[NH2+] ZINC001268997061 775481604 /nfs/dbraw/zinc/48/16/04/775481604.db2.gz SXNSNTDQBUKHJR-DTORHVGOSA-N 2 1 255.322 -1.647 20 0 CAADMP C[N@@H+]1CCO[C@H](C(=O)N[C@@H](C[NH2+]CCO)C2CC2)C1 ZINC001269055715 775487165 /nfs/dbraw/zinc/48/71/65/775487165.db2.gz FSFMGDACJYZZFK-RYUDHWBXSA-N 2 1 271.361 -1.206 20 0 CAADMP C[N@H+]1CCO[C@H](C(=O)N[C@@H](C[NH2+]CCO)C2CC2)C1 ZINC001269055715 775487168 /nfs/dbraw/zinc/48/71/68/775487168.db2.gz FSFMGDACJYZZFK-RYUDHWBXSA-N 2 1 271.361 -1.206 20 0 CAADMP C[NH+]1CC2(C1)CCCN(C(=O)C[NH+](CCO)CCO)C2 ZINC001269095094 775489035 /nfs/dbraw/zinc/48/90/35/775489035.db2.gz MUVBHMDIZLSQMH-UHFFFAOYSA-N 2 1 285.388 -1.173 20 0 CAADMP CN(C[C@H](O)C[NH2+]CCO)C(=O)C[N@@H+](C)C1CCC1 ZINC001284414955 775492673 /nfs/dbraw/zinc/49/26/73/775492673.db2.gz AADZQWGJXXAYEB-GFCCVEGCSA-N 2 1 273.377 -1.128 20 0 CAADMP C[N@@H+](CCO)CCNC(=O)[C@]1(C)C[C@H](O)C[NH+]1C ZINC000925004306 775522019 /nfs/dbraw/zinc/52/20/19/775522019.db2.gz VZFIHTAKKJYDJN-JQWIXIFHSA-N 2 1 259.350 -1.518 20 0 CAADMP C[NH+](CCO)CCNC(=O)[C@]1(C)C[C@H](O)C[N@@H+]1C ZINC000925004306 775522026 /nfs/dbraw/zinc/52/20/26/775522026.db2.gz VZFIHTAKKJYDJN-JQWIXIFHSA-N 2 1 259.350 -1.518 20 0 CAADMP C[NH+](CCO)CCNC(=O)[C@]1(C)C[C@H](O)C[N@H+]1C ZINC000925004306 775522031 /nfs/dbraw/zinc/52/20/31/775522031.db2.gz VZFIHTAKKJYDJN-JQWIXIFHSA-N 2 1 259.350 -1.518 20 0 CAADMP C[C@H](C[NH2+]CCO)N(C)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001270930213 775560103 /nfs/dbraw/zinc/56/01/03/775560103.db2.gz QBLMMUSMBQOPNX-GHMZBOCLSA-N 2 1 259.350 -1.254 20 0 CAADMP C[C@H](C[NH2+]CCO)N(C)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001270930213 775560108 /nfs/dbraw/zinc/56/01/08/775560108.db2.gz QBLMMUSMBQOPNX-GHMZBOCLSA-N 2 1 259.350 -1.254 20 0 CAADMP C[NH+](C)CCN1CC2(C1)CN(C(=O)[C@@H]1C[C@H](O)C[N@H+]1C)C2 ZINC001272273472 775594850 /nfs/dbraw/zinc/59/48/50/775594850.db2.gz MMURDKBSCVWMJM-STQMWFEESA-N 2 1 296.415 -1.243 20 0 CAADMP C[NH+]1CCC(O)(C(=O)N2C[C@@H]3C[N@@H+](C)C[C@H](C2)O3)CC1 ZINC001271802136 775623488 /nfs/dbraw/zinc/62/34/88/775623488.db2.gz QUSRECKQSFSKIQ-TXEJJXNPSA-N 2 1 283.372 -1.016 20 0 CAADMP C[NH+]1CCC(O)(C(=O)N2C[C@@H]3C[N@H+](C)C[C@H](C2)O3)CC1 ZINC001271802136 775623498 /nfs/dbraw/zinc/62/34/98/775623498.db2.gz QUSRECKQSFSKIQ-TXEJJXNPSA-N 2 1 283.372 -1.016 20 0 CAADMP O=C(N[C@@H]1C[N@@H+](CCO)C[C@@H]1O)[C@H]1C[NH+]2CCC1CC2 ZINC001083465990 775691134 /nfs/dbraw/zinc/69/11/34/775691134.db2.gz APCPRFKZHSEVJD-XQQFMLRXSA-N 2 1 283.372 -1.518 20 0 CAADMP O=C(N[C@@H]1C[N@@H+](CCO)C[C@@H]1O)[C@@H]1C[NH+]2CCC1CC2 ZINC001083465989 775691246 /nfs/dbraw/zinc/69/12/46/775691246.db2.gz APCPRFKZHSEVJD-UPJWGTAASA-N 2 1 283.372 -1.518 20 0 CAADMP N[C@@H]1NCN(C(=O)[C@@H]2CC3CCN2CC3)[C@H]2NCN[C@H]21 ZINC001142638206 775711599 /nfs/dbraw/zinc/71/15/99/775711599.db2.gz WRQUCBHNYVSDSK-NNYUYHANSA-N 2 1 280.376 -2.010 20 0 CAADMP N[C@@H]1NCN(C(=O)[C@@H]2CC3CCN2CC3)[C@@H]2NCN[C@@H]21 ZINC001142638207 775712124 /nfs/dbraw/zinc/71/21/24/775712124.db2.gz WRQUCBHNYVSDSK-QCNOEVLYSA-N 2 1 280.376 -2.010 20 0 CAADMP N[C@@H]1NCN(C(=O)[C@@H]2CC3CCN2CC3)[C@@H]2NCN[C@H]21 ZINC001142638250 775712438 /nfs/dbraw/zinc/71/24/38/775712438.db2.gz WRQUCBHNYVSDSK-YFKTTZPYSA-N 2 1 280.376 -2.010 20 0 CAADMP C[N@@H+]1CC[C@@H](C(=O)N2CC[C@H]3C[NH+](CC(N)=O)C[C@H]32)C1 ZINC001076567631 775731597 /nfs/dbraw/zinc/73/15/97/775731597.db2.gz CMHOKJRPVISOSL-QJPTWQEYSA-N 2 1 280.372 -1.044 20 0 CAADMP C[N@H+]1CC[C@@H](C(=O)N2CC[C@H]3C[NH+](CC(N)=O)C[C@H]32)C1 ZINC001076567631 775731607 /nfs/dbraw/zinc/73/16/07/775731607.db2.gz CMHOKJRPVISOSL-QJPTWQEYSA-N 2 1 280.372 -1.044 20 0 CAADMP C[NH+]1CC[C@@H](C(=O)N2CC[C@H]3C[N@H+](CC(N)=O)C[C@H]32)C1 ZINC001076567631 775731615 /nfs/dbraw/zinc/73/16/15/775731615.db2.gz CMHOKJRPVISOSL-QJPTWQEYSA-N 2 1 280.372 -1.044 20 0 CAADMP C[NH+]1CC[C@@H](C(=O)N2CC[C@H]3C[N@@H+](CC(N)=O)C[C@H]32)C1 ZINC001076567631 775731622 /nfs/dbraw/zinc/73/16/22/775731622.db2.gz CMHOKJRPVISOSL-QJPTWQEYSA-N 2 1 280.372 -1.044 20 0 CAADMP O=C(N[C@@H]1C[N@@H+](CCO)C[C@H]1O)[C@@H]1C[NH+]2CCC1CC2 ZINC001077002649 775788543 /nfs/dbraw/zinc/78/85/43/775788543.db2.gz APCPRFKZHSEVJD-JHJVBQTASA-N 2 1 283.372 -1.518 20 0 CAADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](CCO)C[C@H]2O)CC[N@H+]1C ZINC001077028304 775790850 /nfs/dbraw/zinc/79/08/50/775790850.db2.gz ALWRERRDWJLAIN-UMSGYPCISA-N 2 1 285.388 -1.130 20 0 CAADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@H+](CCO)C[C@H]2O)CC[NH+]1C ZINC001077028304 775790861 /nfs/dbraw/zinc/79/08/61/775790861.db2.gz ALWRERRDWJLAIN-UMSGYPCISA-N 2 1 285.388 -1.130 20 0 CAADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@@H+](CCO)C[C@H]2O)CC[NH+]1C ZINC001077028304 775790867 /nfs/dbraw/zinc/79/08/67/775790867.db2.gz ALWRERRDWJLAIN-UMSGYPCISA-N 2 1 285.388 -1.130 20 0 CAADMP CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001077221126 775806957 /nfs/dbraw/zinc/80/69/57/775806957.db2.gz BWWKUCHJMVUPBZ-DDHJBXDOSA-N 2 1 271.361 -1.113 20 0 CAADMP CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001077221126 775806967 /nfs/dbraw/zinc/80/69/67/775806967.db2.gz BWWKUCHJMVUPBZ-DDHJBXDOSA-N 2 1 271.361 -1.113 20 0 CAADMP CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001077221126 775806974 /nfs/dbraw/zinc/80/69/74/775806974.db2.gz BWWKUCHJMVUPBZ-DDHJBXDOSA-N 2 1 271.361 -1.113 20 0 CAADMP CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001077221126 775806982 /nfs/dbraw/zinc/80/69/82/775806982.db2.gz BWWKUCHJMVUPBZ-DDHJBXDOSA-N 2 1 271.361 -1.113 20 0 CAADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@H+](C[C@@H](C)O)C[C@H]1O ZINC001077395204 775821959 /nfs/dbraw/zinc/82/19/59/775821959.db2.gz ZBYDLNJEUWQYQJ-IJLUTSLNSA-N 2 1 282.344 -1.266 20 0 CAADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@@H+](C[C@@H](C)O)C[C@H]1O ZINC001077395204 775821971 /nfs/dbraw/zinc/82/19/71/775821971.db2.gz ZBYDLNJEUWQYQJ-IJLUTSLNSA-N 2 1 282.344 -1.266 20 0 CAADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@H+](CCCO)C[C@H]1O ZINC001077392471 775823995 /nfs/dbraw/zinc/82/39/95/775823995.db2.gz CQKCWQZGMZUYFN-VXGBXAGGSA-N 2 1 282.344 -1.265 20 0 CAADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@@H+](CCCO)C[C@H]1O ZINC001077392471 775824002 /nfs/dbraw/zinc/82/40/02/775824002.db2.gz CQKCWQZGMZUYFN-VXGBXAGGSA-N 2 1 282.344 -1.265 20 0 CAADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@H+](C[C@H](C)O)C[C@H]1O ZINC001077395205 775824363 /nfs/dbraw/zinc/82/43/63/775824363.db2.gz ZBYDLNJEUWQYQJ-QJPTWQEYSA-N 2 1 282.344 -1.266 20 0 CAADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@@H+](C[C@H](C)O)C[C@H]1O ZINC001077395205 775824375 /nfs/dbraw/zinc/82/43/75/775824375.db2.gz ZBYDLNJEUWQYQJ-QJPTWQEYSA-N 2 1 282.344 -1.266 20 0 CAADMP O=C(N[C@@H]1C[N@H+](CCO)C[C@@H]1O)C12CCC[NH+]1CCC2 ZINC001083602281 775834009 /nfs/dbraw/zinc/83/40/09/775834009.db2.gz MWSYUZVMIBUEEO-NEPJUHHUSA-N 2 1 283.372 -1.232 20 0 CAADMP O=C(N[C@@H]1C[N@@H+](CCO)C[C@@H]1O)C12CCC[NH+]1CCC2 ZINC001083602281 775834016 /nfs/dbraw/zinc/83/40/16/775834016.db2.gz MWSYUZVMIBUEEO-NEPJUHHUSA-N 2 1 283.372 -1.232 20 0 CAADMP Cc1cncn1CC(=O)N[C@@H]1C[N@@H+](C[C@H](C)O)C[C@@H]1O ZINC001083645401 775842167 /nfs/dbraw/zinc/84/21/67/775842167.db2.gz ZBYDLNJEUWQYQJ-TUAOUCFPSA-N 2 1 282.344 -1.266 20 0 CAADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@H+](C[C@H](C)O)C[C@@H]1O ZINC001083645401 775842173 /nfs/dbraw/zinc/84/21/73/775842173.db2.gz ZBYDLNJEUWQYQJ-TUAOUCFPSA-N 2 1 282.344 -1.266 20 0 CAADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@@H+](C[C@H](C)O)C[C@@H]1O ZINC001083645401 775842179 /nfs/dbraw/zinc/84/21/79/775842179.db2.gz ZBYDLNJEUWQYQJ-TUAOUCFPSA-N 2 1 282.344 -1.266 20 0 CAADMP C[C@@H]([NH2+]CCCNC(=O)CC[NH+]1CCOCC1)C(N)=O ZINC001168416846 775881444 /nfs/dbraw/zinc/88/14/44/775881444.db2.gz FWEXICDMQJVCMU-LLVKDONJSA-N 2 1 286.376 -1.322 20 0 CAADMP C[N@H+]1CC[C@H](CC(=O)NC[C@@H](O)C[NH2+]CCO)C1 ZINC001272559183 775933352 /nfs/dbraw/zinc/93/33/52/775933352.db2.gz GXNHWPQAXAZTKW-MNOVXSKESA-N 2 1 259.350 -1.613 20 0 CAADMP O=C(NC[C@@H](O)C[NH2+]CCCO)[C@@]12CC[N@@H+](C1)CCC2 ZINC001272566670 775935532 /nfs/dbraw/zinc/93/55/32/775935532.db2.gz BDQASLSXEORGPV-JSGCOSHPSA-N 2 1 285.388 -1.079 20 0 CAADMP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H](O)C[NH2+]CCO ZINC001272582596 775945227 /nfs/dbraw/zinc/94/52/27/775945227.db2.gz AWBZYATVYPWQNL-NWDGAFQWSA-N 2 1 273.377 -1.080 20 0 CAADMP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@H](O)C[NH2+]CCO ZINC001272582599 775945587 /nfs/dbraw/zinc/94/55/87/775945587.db2.gz AWBZYATVYPWQNL-VXGBXAGGSA-N 2 1 273.377 -1.080 20 0 CAADMP C(CN1CC[NH2+]C[C@]12CC[NH2+]C2)N1CCOCC1 ZINC001234982588 775956718 /nfs/dbraw/zinc/95/67/18/775956718.db2.gz VKRFKJMOKNKXDR-CYBMUJFWSA-N 2 1 254.378 -1.044 20 0 CAADMP COC(=O)[C@@H](C)C[NH+]1CCNCC[NH2+]CCNCC1 ZINC001235869035 775967879 /nfs/dbraw/zinc/96/78/79/775967879.db2.gz IKGALSJNUOXOJL-LBPRGKRZSA-N 2 1 272.393 -1.120 20 0 CAADMP CCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H]1CCC[N@H+]1C ZINC001124873301 776015859 /nfs/dbraw/zinc/01/58/59/776015859.db2.gz WAKMPCQIGATFAI-SNVBAGLBSA-N 2 1 299.375 -1.368 20 0 CAADMP CCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001124873300 776016127 /nfs/dbraw/zinc/01/61/27/776016127.db2.gz WAKMPCQIGATFAI-JTQLQIEISA-N 2 1 299.375 -1.368 20 0 CAADMP C[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]CC(=O)N1CCOCC1 ZINC001124872569 776016204 /nfs/dbraw/zinc/01/62/04/776016204.db2.gz KOXKPDQAQCTKMI-LBPRGKRZSA-N 2 1 298.387 -1.355 20 0 CAADMP C[N@H+]1CCC[C@H]1C(=O)NCC[NH2+][C@H]1CCC(=O)NC1=O ZINC001124877360 776016650 /nfs/dbraw/zinc/01/66/50/776016650.db2.gz GNZFKPREYWQUBG-UWVGGRQHSA-N 2 1 282.344 -1.408 20 0 CAADMP C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2C[NH+](CCO)C[C@@H]2O)C1 ZINC001083781764 776021275 /nfs/dbraw/zinc/02/12/75/776021275.db2.gz UXVBBLAPFOVKKP-UTUOFQBUSA-N 2 1 271.361 -1.518 20 0 CAADMP C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2C[NH+](CCO)C[C@@H]2O)C1 ZINC001083781764 776021280 /nfs/dbraw/zinc/02/12/80/776021280.db2.gz UXVBBLAPFOVKKP-UTUOFQBUSA-N 2 1 271.361 -1.518 20 0 CAADMP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2C[N@H+](CCO)C[C@@H]2O)C1 ZINC001083781764 776021287 /nfs/dbraw/zinc/02/12/87/776021287.db2.gz UXVBBLAPFOVKKP-UTUOFQBUSA-N 2 1 271.361 -1.518 20 0 CAADMP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2C[N@@H+](CCO)C[C@@H]2O)C1 ZINC001083781764 776021298 /nfs/dbraw/zinc/02/12/98/776021298.db2.gz UXVBBLAPFOVKKP-UTUOFQBUSA-N 2 1 271.361 -1.518 20 0 CAADMP C[C@H]1CC[N@H+](CC(=O)N[C@@H]2C[NH+](CCO)C[C@@H]2O)C1 ZINC001083781763 776021440 /nfs/dbraw/zinc/02/14/40/776021440.db2.gz UXVBBLAPFOVKKP-TUAOUCFPSA-N 2 1 271.361 -1.518 20 0 CAADMP C[C@H]1CC[N@@H+](CC(=O)N[C@@H]2C[NH+](CCO)C[C@@H]2O)C1 ZINC001083781763 776021450 /nfs/dbraw/zinc/02/14/50/776021450.db2.gz UXVBBLAPFOVKKP-TUAOUCFPSA-N 2 1 271.361 -1.518 20 0 CAADMP C[C@H]1CC[NH+](CC(=O)N[C@@H]2C[N@H+](CCO)C[C@@H]2O)C1 ZINC001083781763 776021465 /nfs/dbraw/zinc/02/14/65/776021465.db2.gz UXVBBLAPFOVKKP-TUAOUCFPSA-N 2 1 271.361 -1.518 20 0 CAADMP C[C@H]1CC[NH+](CC(=O)N[C@@H]2C[N@@H+](CCO)C[C@@H]2O)C1 ZINC001083781763 776021475 /nfs/dbraw/zinc/02/14/75/776021475.db2.gz UXVBBLAPFOVKKP-TUAOUCFPSA-N 2 1 271.361 -1.518 20 0 CAADMP C[C@H]1CC[N@@H+](CC(=O)N[C@@H]2C[NH+](CCCO)C[C@@H]2O)C1 ZINC001083781624 776021771 /nfs/dbraw/zinc/02/17/71/776021771.db2.gz PCNOPGYAFZURTQ-XQQFMLRXSA-N 2 1 285.388 -1.128 20 0 CAADMP C[C@H]1CC[NH+](CC(=O)N[C@@H]2C[N@H+](CCCO)C[C@@H]2O)C1 ZINC001083781624 776021775 /nfs/dbraw/zinc/02/17/75/776021775.db2.gz PCNOPGYAFZURTQ-XQQFMLRXSA-N 2 1 285.388 -1.128 20 0 CAADMP C[C@H]1CC[NH+](CC(=O)N[C@@H]2C[N@@H+](CCCO)C[C@@H]2O)C1 ZINC001083781624 776021781 /nfs/dbraw/zinc/02/17/81/776021781.db2.gz PCNOPGYAFZURTQ-XQQFMLRXSA-N 2 1 285.388 -1.128 20 0 CAADMP CNC(=O)C[NH2+]CCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001125214140 776027580 /nfs/dbraw/zinc/02/75/80/776027580.db2.gz PVNZDRCVAHMJNT-SECBINFHSA-N 2 1 258.322 -2.231 20 0 CAADMP CNC(=O)C[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001125214140 776027586 /nfs/dbraw/zinc/02/75/86/776027586.db2.gz PVNZDRCVAHMJNT-SECBINFHSA-N 2 1 258.322 -2.231 20 0 CAADMP C[C@@H]([NH2+]CCNC(=O)[C@H]1C[N@H+](C)CCO1)C(N)=O ZINC001125203333 776028251 /nfs/dbraw/zinc/02/82/51/776028251.db2.gz LNVBMTDEYWZUDP-RKDXNWHRSA-N 2 1 258.322 -2.103 20 0 CAADMP C[C@@H]([NH2+]CCNC(=O)[C@H]1C[N@@H+](C)CCO1)C(N)=O ZINC001125203333 776028258 /nfs/dbraw/zinc/02/82/58/776028258.db2.gz LNVBMTDEYWZUDP-RKDXNWHRSA-N 2 1 258.322 -2.103 20 0 CAADMP CC[C@H]([NH2+]CCNC(=O)[C@H]1C[N@H+](C)CCO1)C(N)=O ZINC001125221667 776028994 /nfs/dbraw/zinc/02/89/94/776028994.db2.gz RWVOGHNVMWVOLN-VHSXEESVSA-N 2 1 272.349 -1.713 20 0 CAADMP CC[C@H]([NH2+]CCNC(=O)[C@H]1C[N@@H+](C)CCO1)C(N)=O ZINC001125221667 776028999 /nfs/dbraw/zinc/02/89/99/776028999.db2.gz RWVOGHNVMWVOLN-VHSXEESVSA-N 2 1 272.349 -1.713 20 0 CAADMP C[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001125223316 776029064 /nfs/dbraw/zinc/02/90/64/776029064.db2.gz ZXGCTJXOKXYTIY-NXEZZACHSA-N 2 1 298.343 -2.172 20 0 CAADMP C[N@H+]1CCO[C@@H](C(=O)NCC[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001125223316 776029074 /nfs/dbraw/zinc/02/90/74/776029074.db2.gz ZXGCTJXOKXYTIY-NXEZZACHSA-N 2 1 298.343 -2.172 20 0 CAADMP C[N@@H+]1CCO[C@H](C(=O)NCC[NH2+]CCn2cncn2)C1 ZINC001125220171 776029474 /nfs/dbraw/zinc/02/94/74/776029474.db2.gz DIRCVYQLRKMBRG-NSHDSACASA-N 2 1 282.348 -1.686 20 0 CAADMP C[N@H+]1CCO[C@H](C(=O)NCC[NH2+]CCn2cncn2)C1 ZINC001125220171 776029482 /nfs/dbraw/zinc/02/94/82/776029482.db2.gz DIRCVYQLRKMBRG-NSHDSACASA-N 2 1 282.348 -1.686 20 0 CAADMP COC[C@@H](O)C[NH2+]CCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001125221780 776029687 /nfs/dbraw/zinc/02/96/87/776029687.db2.gz UCMUYYHZORZTEY-WDEREUQCSA-N 2 1 275.349 -1.970 20 0 CAADMP COC[C@@H](O)C[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001125221780 776029695 /nfs/dbraw/zinc/02/96/95/776029695.db2.gz UCMUYYHZORZTEY-WDEREUQCSA-N 2 1 275.349 -1.970 20 0 CAADMP CCNC(=O)C[NH2+]CCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001125222797 776029737 /nfs/dbraw/zinc/02/97/37/776029737.db2.gz XLQFNWPSPFPUPO-SNVBAGLBSA-N 2 1 272.349 -1.841 20 0 CAADMP CCNC(=O)C[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001125222797 776029742 /nfs/dbraw/zinc/02/97/42/776029742.db2.gz XLQFNWPSPFPUPO-SNVBAGLBSA-N 2 1 272.349 -1.841 20 0 CAADMP CN1CC[C@H]([NH2+]CCNC(=O)[C@H]2C[N@H+](C)CCO2)C1=O ZINC001125227505 776029935 /nfs/dbraw/zinc/02/99/35/776029935.db2.gz SRXOCPQIVDQIOV-WDEREUQCSA-N 2 1 284.360 -1.747 20 0 CAADMP CN1CC[C@H]([NH2+]CCNC(=O)[C@H]2C[N@@H+](C)CCO2)C1=O ZINC001125227505 776029941 /nfs/dbraw/zinc/02/99/41/776029941.db2.gz SRXOCPQIVDQIOV-WDEREUQCSA-N 2 1 284.360 -1.747 20 0 CAADMP CN1CCC[C@H]([NH2+]CCNC(=O)[C@@H]2C[N@H+](C)CCO2)C1=O ZINC001125220158 776029977 /nfs/dbraw/zinc/02/99/77/776029977.db2.gz CZRMKZJLHDFUDL-RYUDHWBXSA-N 2 1 298.387 -1.356 20 0 CAADMP CN1CCC[C@H]([NH2+]CCNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1=O ZINC001125220158 776029986 /nfs/dbraw/zinc/02/99/86/776029986.db2.gz CZRMKZJLHDFUDL-RYUDHWBXSA-N 2 1 298.387 -1.356 20 0 CAADMP CNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001125221450 776030147 /nfs/dbraw/zinc/03/01/47/776030147.db2.gz QICGNWXOJYHKME-UWVGGRQHSA-N 2 1 272.349 -1.843 20 0 CAADMP CNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001125221450 776030156 /nfs/dbraw/zinc/03/01/56/776030156.db2.gz QICGNWXOJYHKME-UWVGGRQHSA-N 2 1 272.349 -1.843 20 0 CAADMP CCN1CC[C@@H]([NH2+]CCNC(=O)[C@@H]2C[N@H+](C)CCO2)C1=O ZINC001125220172 776030748 /nfs/dbraw/zinc/03/07/48/776030748.db2.gz DMMMNZQFMPQKFR-NEPJUHHUSA-N 2 1 298.387 -1.356 20 0 CAADMP CCN1CC[C@@H]([NH2+]CCNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1=O ZINC001125220172 776030756 /nfs/dbraw/zinc/03/07/56/776030756.db2.gz DMMMNZQFMPQKFR-NEPJUHHUSA-N 2 1 298.387 -1.356 20 0 CAADMP CN1CCC[C@H]([NH2+]CCNC(=O)[C@H]2C[N@H+](C)CCO2)C1=O ZINC001125220157 776031039 /nfs/dbraw/zinc/03/10/39/776031039.db2.gz CZRMKZJLHDFUDL-NWDGAFQWSA-N 2 1 298.387 -1.356 20 0 CAADMP CN1CCC[C@H]([NH2+]CCNC(=O)[C@H]2C[N@@H+](C)CCO2)C1=O ZINC001125220157 776031047 /nfs/dbraw/zinc/03/10/47/776031047.db2.gz CZRMKZJLHDFUDL-NWDGAFQWSA-N 2 1 298.387 -1.356 20 0 CAADMP C[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+][C@@H]2CCNC2=O)C1 ZINC001125221244 776031222 /nfs/dbraw/zinc/03/12/22/776031222.db2.gz OPQHTTANRCIRIY-NXEZZACHSA-N 2 1 270.333 -2.089 20 0 CAADMP C[N@H+]1CCO[C@@H](C(=O)NCC[NH2+][C@@H]2CCNC2=O)C1 ZINC001125221244 776031230 /nfs/dbraw/zinc/03/12/30/776031230.db2.gz OPQHTTANRCIRIY-NXEZZACHSA-N 2 1 270.333 -2.089 20 0 CAADMP C[N@@H+]1CCO[C@H](C(=O)NCC[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001125223321 776031256 /nfs/dbraw/zinc/03/12/56/776031256.db2.gz ZXGCTJXOKXYTIY-UWVGGRQHSA-N 2 1 298.343 -2.172 20 0 CAADMP C[N@H+]1CCO[C@H](C(=O)NCC[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001125223321 776031265 /nfs/dbraw/zinc/03/12/65/776031265.db2.gz ZXGCTJXOKXYTIY-UWVGGRQHSA-N 2 1 298.343 -2.172 20 0 CAADMP CC[C@H]([NH2+]CCNC(=O)[C@@H]1C[N@H+](C)CCO1)C(N)=O ZINC001125221666 776031340 /nfs/dbraw/zinc/03/13/40/776031340.db2.gz RWVOGHNVMWVOLN-UWVGGRQHSA-N 2 1 272.349 -1.713 20 0 CAADMP CC[C@H]([NH2+]CCNC(=O)[C@@H]1C[N@@H+](C)CCO1)C(N)=O ZINC001125221666 776031346 /nfs/dbraw/zinc/03/13/46/776031346.db2.gz RWVOGHNVMWVOLN-UWVGGRQHSA-N 2 1 272.349 -1.713 20 0 CAADMP C[N@@H+]1CCO[C@H](C(=O)NCC[NH2+]CCNC(=O)C2CC2)C1 ZINC001125221371 776031377 /nfs/dbraw/zinc/03/13/77/776031377.db2.gz PKOUBFLMRYITBY-LBPRGKRZSA-N 2 1 298.387 -1.451 20 0 CAADMP C[N@H+]1CCO[C@H](C(=O)NCC[NH2+]CCNC(=O)C2CC2)C1 ZINC001125221371 776031384 /nfs/dbraw/zinc/03/13/84/776031384.db2.gz PKOUBFLMRYITBY-LBPRGKRZSA-N 2 1 298.387 -1.451 20 0 CAADMP C[C@H](O)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C23CC[NH+](CC2)C3)C1 ZINC001047599013 776036825 /nfs/dbraw/zinc/03/68/25/776036825.db2.gz YYPIRFGOQPNEKV-AVGNSLFASA-N 2 1 297.399 -1.034 20 0 CAADMP O=C(NCC[NH2+]CCCO)[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001127760621 776040039 /nfs/dbraw/zinc/04/00/39/776040039.db2.gz NXRCFYCWRLAYGT-NWDGAFQWSA-N 2 1 271.361 -1.062 20 0 CAADMP CNC(=O)C[NH2+]CCNC(=O)[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001127778432 776041402 /nfs/dbraw/zinc/04/14/02/776041402.db2.gz DUISSKIRMREXKI-WDEREUQCSA-N 2 1 284.360 -1.699 20 0 CAADMP NC(=O)C[NH2+]CCNC(=O)[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001127777753 776041646 /nfs/dbraw/zinc/04/16/46/776041646.db2.gz BNMWKLJPCVZCMB-VHSXEESVSA-N 2 1 270.333 -1.959 20 0 CAADMP C[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001077618399 776048819 /nfs/dbraw/zinc/04/88/19/776048819.db2.gz HICHZHIGCMDIEC-RAIGVLPGSA-N 2 1 285.388 -1.130 20 0 CAADMP O=C(NCC[NH2+]CCO)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001127786301 776049046 /nfs/dbraw/zinc/04/90/46/776049046.db2.gz XWTHZGOJEKAUMQ-GHMZBOCLSA-N 2 1 257.334 -1.452 20 0 CAADMP C[NH+]1CCC(CC(=O)N[C@@H]2C[N@@H+](CCO)C[C@H]2O)CC1 ZINC001077779411 776070125 /nfs/dbraw/zinc/07/01/25/776070125.db2.gz LTCMFNSMDKKVQB-CHWSQXEVSA-N 2 1 285.388 -1.128 20 0 CAADMP C[N@H+]1CC[C@H](CC(=O)N[C@@H]2C[NH+](CCCO)C[C@H]2O)C1 ZINC001078007607 776111579 /nfs/dbraw/zinc/11/15/79/776111579.db2.gz VWOMKZUQODURLS-JHJVBQTASA-N 2 1 285.388 -1.128 20 0 CAADMP C[NH+]1CC[C@H](CC(=O)N[C@@H]2C[N@H+](CCCO)C[C@H]2O)C1 ZINC001078007607 776111582 /nfs/dbraw/zinc/11/15/82/776111582.db2.gz VWOMKZUQODURLS-JHJVBQTASA-N 2 1 285.388 -1.128 20 0 CAADMP C[NH+]1CC[C@H](CC(=O)N[C@@H]2C[N@@H+](CCCO)C[C@H]2O)C1 ZINC001078007607 776111583 /nfs/dbraw/zinc/11/15/83/776111583.db2.gz VWOMKZUQODURLS-JHJVBQTASA-N 2 1 285.388 -1.128 20 0 CAADMP COCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001078011913 776111619 /nfs/dbraw/zinc/11/16/19/776111619.db2.gz NLPKDCSJRULFFO-VXGBXAGGSA-N 2 1 283.372 -1.110 20 0 CAADMP O=C(N[C@@H]1C[N@H+](CCO)C[C@H]1O)C12CC[NH+](CC1)C2 ZINC001078011643 776112335 /nfs/dbraw/zinc/11/23/35/776112335.db2.gz ABTMQHMZYADJCI-GHMZBOCLSA-N 2 1 269.345 -1.764 20 0 CAADMP O=C(N[C@@H]1C[N@@H+](CCO)C[C@H]1O)C12CC[NH+](CC1)C2 ZINC001078011643 776112345 /nfs/dbraw/zinc/11/23/45/776112345.db2.gz ABTMQHMZYADJCI-GHMZBOCLSA-N 2 1 269.345 -1.764 20 0 CAADMP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](CCO)C[C@H]2O)C1 ZINC001078175872 776128812 /nfs/dbraw/zinc/12/88/12/776128812.db2.gz PWIQIMUIDGTCTL-GMTAPVOTSA-N 2 1 257.334 -1.908 20 0 CAADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@H+](CCO)C[C@H]2O)C1 ZINC001078175872 776128815 /nfs/dbraw/zinc/12/88/15/776128815.db2.gz PWIQIMUIDGTCTL-GMTAPVOTSA-N 2 1 257.334 -1.908 20 0 CAADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@@H+](CCO)C[C@H]2O)C1 ZINC001078175872 776128822 /nfs/dbraw/zinc/12/88/22/776128822.db2.gz PWIQIMUIDGTCTL-GMTAPVOTSA-N 2 1 257.334 -1.908 20 0 CAADMP COCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001078174769 776129947 /nfs/dbraw/zinc/12/99/47/776129947.db2.gz RPRIWQKOFJXSQP-QJPTWQEYSA-N 2 1 271.361 -1.254 20 0 CAADMP COCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001078174769 776129953 /nfs/dbraw/zinc/12/99/53/776129953.db2.gz RPRIWQKOFJXSQP-QJPTWQEYSA-N 2 1 271.361 -1.254 20 0 CAADMP COCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001078174769 776129957 /nfs/dbraw/zinc/12/99/57/776129957.db2.gz RPRIWQKOFJXSQP-QJPTWQEYSA-N 2 1 271.361 -1.254 20 0 CAADMP COCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001078174768 776130817 /nfs/dbraw/zinc/13/08/17/776130817.db2.gz RPRIWQKOFJXSQP-IJLUTSLNSA-N 2 1 271.361 -1.254 20 0 CAADMP COCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001078174768 776130823 /nfs/dbraw/zinc/13/08/23/776130823.db2.gz RPRIWQKOFJXSQP-IJLUTSLNSA-N 2 1 271.361 -1.254 20 0 CAADMP COCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001078174768 776130829 /nfs/dbraw/zinc/13/08/29/776130829.db2.gz RPRIWQKOFJXSQP-IJLUTSLNSA-N 2 1 271.361 -1.254 20 0 CAADMP C[NH+]1CCC(CC(=O)N[C@@H]2C[N@@H+](CCO)C[C@@H]2O)CC1 ZINC001083833162 776187323 /nfs/dbraw/zinc/18/73/23/776187323.db2.gz LTCMFNSMDKKVQB-OLZOCXBDSA-N 2 1 285.388 -1.128 20 0 CAADMP CCC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]CC(=O)NC(N)=O ZINC001128774911 776212390 /nfs/dbraw/zinc/21/23/90/776212390.db2.gz ZAPNPUHOLHHXDL-JTQLQIEISA-N 2 1 299.375 -1.239 20 0 CAADMP C[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CCO)C[C@@H]1n1ccnn1 ZINC001129219385 776245924 /nfs/dbraw/zinc/24/59/24/776245924.db2.gz FLMOWACUEDFUOC-NEPJUHHUSA-N 2 1 296.375 -1.436 20 0 CAADMP C[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1n1ccnn1 ZINC001129219385 776245928 /nfs/dbraw/zinc/24/59/28/776245928.db2.gz FLMOWACUEDFUOC-NEPJUHHUSA-N 2 1 296.375 -1.436 20 0 CAADMP C[C@H](C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21)N1CC[NH+](C)CC1 ZINC001118270207 776290210 /nfs/dbraw/zinc/29/02/10/776290210.db2.gz YGLNKNYTSAPDIA-WYUUTHIRSA-N 2 1 252.362 -1.044 20 0 CAADMP C[NH2+]C[C@@H](C)CNC(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC001118325520 776301954 /nfs/dbraw/zinc/30/19/54/776301954.db2.gz GJQIJSFUEHAZJX-GRYCIOLGSA-N 2 1 298.387 -1.765 20 0 CAADMP C[NH2+]C[C@H](C)CNC(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC001118325521 776303290 /nfs/dbraw/zinc/30/32/90/776303290.db2.gz GJQIJSFUEHAZJX-SDDRHHMPSA-N 2 1 298.387 -1.765 20 0 CAADMP C[C@@H]1C[N@H+](CC(N)=O)C[C@H]1NC(=O)[C@H]1CC[NH+](C)C1 ZINC001080935068 776340078 /nfs/dbraw/zinc/34/00/78/776340078.db2.gz JTXVORRABYVGDN-OUAUKWLOSA-N 2 1 268.361 -1.140 20 0 CAADMP C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1NC(=O)[C@H]1CC[NH+](C)C1 ZINC001080935068 776340087 /nfs/dbraw/zinc/34/00/87/776340087.db2.gz JTXVORRABYVGDN-OUAUKWLOSA-N 2 1 268.361 -1.140 20 0 CAADMP C[C@@H]1C[NH+](CC(N)=O)C[C@H]1NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001080935068 776340097 /nfs/dbraw/zinc/34/00/97/776340097.db2.gz JTXVORRABYVGDN-OUAUKWLOSA-N 2 1 268.361 -1.140 20 0 CAADMP C[C@@H]1C[NH+](CC(N)=O)C[C@H]1NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001080935068 776340107 /nfs/dbraw/zinc/34/01/07/776340107.db2.gz JTXVORRABYVGDN-OUAUKWLOSA-N 2 1 268.361 -1.140 20 0 CAADMP CO[C@@H]1C[N@@H+](CCO)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001082328707 776411034 /nfs/dbraw/zinc/41/10/34/776411034.db2.gz HFMNLRPSOJZRRU-VXGBXAGGSA-N 2 1 283.372 -1.110 20 0 CAADMP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CC(N)=O)C2)C1 ZINC001082933715 776426358 /nfs/dbraw/zinc/42/63/58/776426358.db2.gz GTCPWLIZFZABRP-UTUOFQBUSA-N 2 1 298.387 -1.371 20 0 CAADMP CC[N@H+]1CCO[C@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CC(N)=O)C2)C1 ZINC001082933715 776426362 /nfs/dbraw/zinc/42/63/62/776426362.db2.gz GTCPWLIZFZABRP-UTUOFQBUSA-N 2 1 298.387 -1.371 20 0 CAADMP C[C@H](O)C[N@@H+]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](O)C1 ZINC001083959055 776438871 /nfs/dbraw/zinc/43/88/71/776438871.db2.gz CNKLWZOCOHNFNF-TUAOUCFPSA-N 2 1 283.372 -1.376 20 0 CAADMP C[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](O)C1 ZINC001083959056 776439529 /nfs/dbraw/zinc/43/95/29/776439529.db2.gz CNKLWZOCOHNFNF-UTUOFQBUSA-N 2 1 283.372 -1.376 20 0 CAADMP COCC[N@@H+]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](O)C1 ZINC001083957737 776439558 /nfs/dbraw/zinc/43/95/58/776439558.db2.gz NLPKDCSJRULFFO-NEPJUHHUSA-N 2 1 283.372 -1.110 20 0 CAADMP COCC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)[C@@H](O)C1 ZINC001084053980 776443270 /nfs/dbraw/zinc/44/32/70/776443270.db2.gz RPRIWQKOFJXSQP-UTUOFQBUSA-N 2 1 271.361 -1.254 20 0 CAADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@@H+](CCO)C[C@@H]2O)C1 ZINC001084053939 776443751 /nfs/dbraw/zinc/44/37/51/776443751.db2.gz PWIQIMUIDGTCTL-AXFHLTTASA-N 2 1 257.334 -1.908 20 0 CAADMP CN(C)C(=O)CN1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)[C@@H](O)C1 ZINC001084053165 776443845 /nfs/dbraw/zinc/44/38/45/776443845.db2.gz UVRYWYBDYCLKMJ-TUAOUCFPSA-N 2 1 298.387 -1.812 20 0 CAADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@H+](C[C@H](C)O)C[C@@H]1O ZINC001084059549 776446206 /nfs/dbraw/zinc/44/62/06/776446206.db2.gz NMEUBSKQLSXBOH-WCQGTBRESA-N 2 1 282.344 -1.266 20 0 CAADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@@H+](C[C@H](C)O)C[C@@H]1O ZINC001084059549 776446209 /nfs/dbraw/zinc/44/62/09/776446209.db2.gz NMEUBSKQLSXBOH-WCQGTBRESA-N 2 1 282.344 -1.266 20 0 CAADMP NC(=O)[C@H]1CN(c2cc3c(nn2)CC[NH2+]C3)CC[NH2+]1 ZINC001166725295 776454037 /nfs/dbraw/zinc/45/40/37/776454037.db2.gz JUJVFDQVICFZQU-SNVBAGLBSA-N 2 1 262.317 -1.614 20 0 CAADMP CS(=O)(=O)N(c1ncnc2c1C[NH2+]C2)C1C[NH2+]C1 ZINC001166967447 776459529 /nfs/dbraw/zinc/45/95/29/776459529.db2.gz LQKSYVZQVILRIN-UHFFFAOYSA-N 2 1 269.330 -1.182 20 0 CAADMP C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(N)=O)C1 ZINC001085159289 776469338 /nfs/dbraw/zinc/46/93/38/776469338.db2.gz ODMNSTWKPWDUME-IJLUTSLNSA-N 2 1 298.387 -1.181 20 0 CAADMP C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(N)=O)C1 ZINC001085159289 776469343 /nfs/dbraw/zinc/46/93/43/776469343.db2.gz ODMNSTWKPWDUME-IJLUTSLNSA-N 2 1 298.387 -1.181 20 0 CAADMP CN(C[C@H]1CC[N@H+]1CCO)C(=O)[C@H]1CN(C)CCO1 ZINC001085531595 776486771 /nfs/dbraw/zinc/48/67/71/776486771.db2.gz WBPVNJSGVLUGAO-VXGBXAGGSA-N 2 1 271.361 -1.158 20 0 CAADMP C[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2C[C@@H]([NH2+]CCO)C2)C1 ZINC001086052545 776498094 /nfs/dbraw/zinc/49/80/94/776498094.db2.gz NJLSKCHVPPGFGT-GRYCIOLGSA-N 2 1 271.361 -1.206 20 0 CAADMP C[N@H+]1CCO[C@@H](C(=O)NC[C@H]2C[C@@H]([NH2+]CCO)C2)C1 ZINC001086052545 776498097 /nfs/dbraw/zinc/49/80/97/776498097.db2.gz NJLSKCHVPPGFGT-GRYCIOLGSA-N 2 1 271.361 -1.206 20 0 CAADMP C[C@H]([NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2C[N@H+](C)CCO2)C1)C(N)=O ZINC001086051806 776498795 /nfs/dbraw/zinc/49/87/95/776498795.db2.gz LMCMBVANVWYNGD-NNYUYHANSA-N 2 1 298.387 -1.325 20 0 CAADMP C[C@H]([NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1)C(N)=O ZINC001086051806 776498800 /nfs/dbraw/zinc/49/88/00/776498800.db2.gz LMCMBVANVWYNGD-NNYUYHANSA-N 2 1 298.387 -1.325 20 0 CAADMP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2C[C@@H]([NH2+]CC(N)=O)C2)C1 ZINC001086277244 776505028 /nfs/dbraw/zinc/50/50/28/776505028.db2.gz YRMYYWDLSCONIO-GRYCIOLGSA-N 2 1 298.387 -1.323 20 0 CAADMP CC[N@H+]1CCO[C@@H](C(=O)NC[C@H]2C[C@@H]([NH2+]CC(N)=O)C2)C1 ZINC001086277244 776505035 /nfs/dbraw/zinc/50/50/35/776505035.db2.gz YRMYYWDLSCONIO-GRYCIOLGSA-N 2 1 298.387 -1.323 20 0 CAADMP CC[N@@H+]1CCO[C@H](C(=O)NC[C@H]2C[C@@H]([NH2+]CC(N)=O)C2)C1 ZINC001086277245 776505253 /nfs/dbraw/zinc/50/52/53/776505253.db2.gz YRMYYWDLSCONIO-TUAOUCFPSA-N 2 1 298.387 -1.323 20 0 CAADMP CC[N@H+]1CCO[C@H](C(=O)NC[C@H]2C[C@@H]([NH2+]CC(N)=O)C2)C1 ZINC001086277245 776505259 /nfs/dbraw/zinc/50/52/59/776505259.db2.gz YRMYYWDLSCONIO-TUAOUCFPSA-N 2 1 298.387 -1.323 20 0 CAADMP C[N@@H+]1CCO[C@H](C(=O)NC[C@H]2C[C@H]([NH2+]CC(N)=O)C2)C1 ZINC001086331989 776506908 /nfs/dbraw/zinc/50/69/08/776506908.db2.gz NRWFVYHIKKSXPA-DCAQKATOSA-N 2 1 284.360 -1.713 20 0 CAADMP C[N@H+]1CCO[C@H](C(=O)NC[C@H]2C[C@H]([NH2+]CC(N)=O)C2)C1 ZINC001086331989 776506915 /nfs/dbraw/zinc/50/69/15/776506915.db2.gz NRWFVYHIKKSXPA-DCAQKATOSA-N 2 1 284.360 -1.713 20 0 CAADMP Cn1ncc(CNCCCNC(=O)[C@@H]2CN(C)CCO2)n1 ZINC001156144861 776513173 /nfs/dbraw/zinc/51/31/73/776513173.db2.gz GONPBRWBFNOCBC-LBPRGKRZSA-N 2 1 296.375 -1.258 20 0 CAADMP C[N@@H+]1CCO[C@@H](C(=O)NCCC[NH2+][C@H]2CCNC2=O)C1 ZINC001156146365 776513193 /nfs/dbraw/zinc/51/31/93/776513193.db2.gz WZAHBDFGSLQHNP-WDEREUQCSA-N 2 1 284.360 -1.699 20 0 CAADMP C[N@H+]1CCO[C@@H](C(=O)NCCC[NH2+][C@H]2CCNC2=O)C1 ZINC001156146365 776513195 /nfs/dbraw/zinc/51/31/95/776513195.db2.gz WZAHBDFGSLQHNP-WDEREUQCSA-N 2 1 284.360 -1.699 20 0 CAADMP CNC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001156152089 776513298 /nfs/dbraw/zinc/51/32/98/776513298.db2.gz CJCIQTZBRHCUCZ-GHMZBOCLSA-N 2 1 286.376 -1.453 20 0 CAADMP CNC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001156152089 776513305 /nfs/dbraw/zinc/51/33/05/776513305.db2.gz CJCIQTZBRHCUCZ-GHMZBOCLSA-N 2 1 286.376 -1.453 20 0 CAADMP Cn1ncc(CNCCCNC(=O)[C@H]2CN(C)CCO2)n1 ZINC001156144856 776513416 /nfs/dbraw/zinc/51/34/16/776513416.db2.gz GONPBRWBFNOCBC-GFCCVEGCSA-N 2 1 296.375 -1.258 20 0 CAADMP CCNC(=O)C[NH2+]CCCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001156145227 776513656 /nfs/dbraw/zinc/51/36/56/776513656.db2.gz KDQHNZGIUKCKOO-NSHDSACASA-N 2 1 286.376 -1.451 20 0 CAADMP CCNC(=O)C[NH2+]CCCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001156145227 776513662 /nfs/dbraw/zinc/51/36/62/776513662.db2.gz KDQHNZGIUKCKOO-NSHDSACASA-N 2 1 286.376 -1.451 20 0 CAADMP C[C@H]([NH2+]CCCNC(=O)[C@H]1C[N@H+](C)CCO1)C(N)=O ZINC001156125922 776513726 /nfs/dbraw/zinc/51/37/26/776513726.db2.gz QJMVORKJGFKCHJ-VHSXEESVSA-N 2 1 272.349 -1.713 20 0 CAADMP C[C@H]([NH2+]CCCNC(=O)[C@H]1C[N@@H+](C)CCO1)C(N)=O ZINC001156125922 776513730 /nfs/dbraw/zinc/51/37/30/776513730.db2.gz QJMVORKJGFKCHJ-VHSXEESVSA-N 2 1 272.349 -1.713 20 0 CAADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](N1CN[C@H]([NH3+])[C@H]3NCN[C@@H]31)C2 ZINC001169119330 776521990 /nfs/dbraw/zinc/52/19/90/776521990.db2.gz RGVBVHPOKRCCEY-ZEPSMKPISA-N 2 1 266.393 -1.396 20 0 CAADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](N1CN[C@H]([NH3+])[C@H]3NCN[C@@H]31)C2 ZINC001169119330 776522000 /nfs/dbraw/zinc/52/20/00/776522000.db2.gz RGVBVHPOKRCCEY-ZEPSMKPISA-N 2 1 266.393 -1.396 20 0 CAADMP CC(=O)N1CC[C@@H]([NH2+]CCC[NH+](CCO)CCO)C1 ZINC001169496635 776530619 /nfs/dbraw/zinc/53/06/19/776530619.db2.gz NYXDBZJSNAWGKZ-CYBMUJFWSA-N 2 1 273.377 -1.127 20 0 CAADMP NC(=O)C[NH2+]CCNC(=O)[C@@H]1CCC[N@H+]1C1CCOCC1 ZINC001129363513 776540419 /nfs/dbraw/zinc/54/04/19/776540419.db2.gz ILDWOWTYWXUXIM-LBPRGKRZSA-N 2 1 298.387 -1.179 20 0 CAADMP NC(=O)C[NH2+]CCNC(=O)[C@H]1CCC[N@H+]1C1CCOCC1 ZINC001129363512 776541335 /nfs/dbraw/zinc/54/13/35/776541335.db2.gz ILDWOWTYWXUXIM-GFCCVEGCSA-N 2 1 298.387 -1.179 20 0 CAADMP CNC(=O)C[NH2+]CCNC(=O)[C@@H](Cn1cccn1)[NH+](C)C ZINC001129381848 776547369 /nfs/dbraw/zinc/54/73/69/776547369.db2.gz ZMXNBCAXRQSURG-LLVKDONJSA-N 2 1 296.375 -1.735 20 0 CAADMP C[NH+](C)[C@@H](Cn1cccn1)C(=O)NCC[NH2+]CCO ZINC001129384931 776548362 /nfs/dbraw/zinc/54/83/62/776548362.db2.gz BAAKUYNKITVCQQ-NSHDSACASA-N 2 1 269.349 -1.489 20 0 CAADMP CC(C)[N@@H+](C)CC(=O)N[C@H]1CC[NH+](CCO)C[C@H]1O ZINC001100132504 776552042 /nfs/dbraw/zinc/55/20/42/776552042.db2.gz UYUHOZYPSSDPAT-NWDGAFQWSA-N 2 1 273.377 -1.130 20 0 CAADMP CC(C)[NH+](C)CC(=O)N[C@H]1CC[N@H+](CCO)C[C@H]1O ZINC001100132504 776552051 /nfs/dbraw/zinc/55/20/51/776552051.db2.gz UYUHOZYPSSDPAT-NWDGAFQWSA-N 2 1 273.377 -1.130 20 0 CAADMP CC(C)[NH+](C)CC(=O)N[C@H]1CC[N@@H+](CCO)C[C@H]1O ZINC001100132504 776552057 /nfs/dbraw/zinc/55/20/57/776552057.db2.gz UYUHOZYPSSDPAT-NWDGAFQWSA-N 2 1 273.377 -1.130 20 0 CAADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[N@H+](CCO)C[C@@H]1O ZINC001090434384 776554060 /nfs/dbraw/zinc/55/40/60/776554060.db2.gz YDDTWVOZQTXSMH-RYUDHWBXSA-N 2 1 282.344 -1.265 20 0 CAADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[N@@H+](CCO)C[C@@H]1O ZINC001090434384 776554063 /nfs/dbraw/zinc/55/40/63/776554063.db2.gz YDDTWVOZQTXSMH-RYUDHWBXSA-N 2 1 282.344 -1.265 20 0 CAADMP C[N@H+]1CC[C@@H](C(=O)NC[C@H]2C[C@H]([NH2+]CC(N)=O)C2)C1 ZINC001086550527 776562960 /nfs/dbraw/zinc/56/29/60/776562960.db2.gz LTGIOMOHOHSETF-GMTAPVOTSA-N 2 1 268.361 -1.092 20 0 CAADMP CC[N@@H+](C)CCC(=O)NCCC[NH2+]CC(=O)NC(N)=O ZINC001170212463 776597382 /nfs/dbraw/zinc/59/73/82/776597382.db2.gz ZUCSPJSFCQVJHK-UHFFFAOYSA-N 2 1 287.364 -1.381 20 0 CAADMP NC(=O)C[NH2+]CCNC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001129418202 776619228 /nfs/dbraw/zinc/61/92/28/776619228.db2.gz RPFBVTXJVPIBBA-SECBINFHSA-N 2 1 265.317 -1.048 20 0 CAADMP NC(=O)C[NH2+]CCNC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001129418205 776619348 /nfs/dbraw/zinc/61/93/48/776619348.db2.gz RPFBVTXJVPIBBA-VIFPVBQESA-N 2 1 265.317 -1.048 20 0 CAADMP CNC(=O)C[NH2+]CCNC(=O)C[N@@H+](C)C1CCC1 ZINC001129526617 776620698 /nfs/dbraw/zinc/62/06/98/776620698.db2.gz MBBJRMCOGMKQNP-UHFFFAOYSA-N 2 1 256.350 -1.078 20 0 CAADMP C[N@@H+](CC(=O)NCC[NH2+]CC(=O)NC(N)=O)C1CCC1 ZINC001129531898 776621049 /nfs/dbraw/zinc/62/10/49/776621049.db2.gz KVDPZYLSJOAEAE-UHFFFAOYSA-N 2 1 285.348 -1.629 20 0 CAADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC[NH2+][C@@H]2CCN(C)C2=O)O1 ZINC001130182491 776643660 /nfs/dbraw/zinc/64/36/60/776643660.db2.gz KIOCVBVUBNIIMU-IJLUTSLNSA-N 2 1 298.387 -1.358 20 0 CAADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC[NH2+][C@@H]2CCN(C)C2=O)O1 ZINC001130182491 776643665 /nfs/dbraw/zinc/64/36/65/776643665.db2.gz KIOCVBVUBNIIMU-IJLUTSLNSA-N 2 1 298.387 -1.358 20 0 CAADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC[NH2+][C@@H]2CCNC2=O)O1 ZINC001130180789 776643738 /nfs/dbraw/zinc/64/37/38/776643738.db2.gz ZBTWKKMCUIHBNT-GMTAPVOTSA-N 2 1 284.360 -1.700 20 0 CAADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC[NH2+][C@@H]2CCNC2=O)O1 ZINC001130180789 776643742 /nfs/dbraw/zinc/64/37/42/776643742.db2.gz ZBTWKKMCUIHBNT-GMTAPVOTSA-N 2 1 284.360 -1.700 20 0 CAADMP C[C@H]([NH2+]CCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)C(N)=O ZINC001130182743 776643808 /nfs/dbraw/zinc/64/38/08/776643808.db2.gz VWFGYCWXQJTZCL-KXUCPTDWSA-N 2 1 272.349 -1.715 20 0 CAADMP C[C@H]([NH2+]CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)C(N)=O ZINC001130182743 776643810 /nfs/dbraw/zinc/64/38/10/776643810.db2.gz VWFGYCWXQJTZCL-KXUCPTDWSA-N 2 1 272.349 -1.715 20 0 CAADMP [NH3+]Cc1ncn(-c2ccc(N3CC[NH2+]CC3)nn2)n1 ZINC001157928460 776643904 /nfs/dbraw/zinc/64/39/04/776643904.db2.gz KCVDYJNRCCLGJC-UHFFFAOYSA-N 2 1 260.305 -1.074 20 0 CAADMP CNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001130182532 776644255 /nfs/dbraw/zinc/64/42/55/776644255.db2.gz LXXKOAGAQSUZTG-OUAUKWLOSA-N 2 1 286.376 -1.454 20 0 CAADMP CNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001130182532 776644260 /nfs/dbraw/zinc/64/42/60/776644260.db2.gz LXXKOAGAQSUZTG-OUAUKWLOSA-N 2 1 286.376 -1.454 20 0 CAADMP C[C@@H]([NH2+]CCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)C(N)=O ZINC001130182744 776644396 /nfs/dbraw/zinc/64/43/96/776644396.db2.gz VWFGYCWXQJTZCL-OPRDCNLKSA-N 2 1 272.349 -1.715 20 0 CAADMP C[C@@H]([NH2+]CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)C(N)=O ZINC001130182744 776644405 /nfs/dbraw/zinc/64/44/05/776644405.db2.gz VWFGYCWXQJTZCL-OPRDCNLKSA-N 2 1 272.349 -1.715 20 0 CAADMP C[C@@H](O)C[NH2+]CCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001130182306 776645117 /nfs/dbraw/zinc/64/51/17/776645117.db2.gz BQENTWNACNIMMD-GMTAPVOTSA-N 2 1 259.350 -1.208 20 0 CAADMP C[C@@H](O)C[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001130182306 776645120 /nfs/dbraw/zinc/64/51/20/776645120.db2.gz BQENTWNACNIMMD-GMTAPVOTSA-N 2 1 259.350 -1.208 20 0 CAADMP CC[C@H]([NH2+]CCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)C(N)=O ZINC001130182818 776644752 /nfs/dbraw/zinc/64/47/52/776644752.db2.gz WVFXECYLKMWFGG-OUAUKWLOSA-N 2 1 286.376 -1.325 20 0 CAADMP CC[C@H]([NH2+]CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)C(N)=O ZINC001130182818 776644757 /nfs/dbraw/zinc/64/47/57/776644757.db2.gz WVFXECYLKMWFGG-OUAUKWLOSA-N 2 1 286.376 -1.325 20 0 CAADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC[NH2+][C@H]2CCNC2=O)O1 ZINC001130180790 776644903 /nfs/dbraw/zinc/64/49/03/776644903.db2.gz ZBTWKKMCUIHBNT-OUAUKWLOSA-N 2 1 284.360 -1.700 20 0 CAADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC[NH2+][C@H]2CCNC2=O)O1 ZINC001130180790 776644909 /nfs/dbraw/zinc/64/49/09/776644909.db2.gz ZBTWKKMCUIHBNT-OUAUKWLOSA-N 2 1 284.360 -1.700 20 0 CAADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC[NH2+]CC(N)=O)O1 ZINC001130180085 776644983 /nfs/dbraw/zinc/64/49/83/776644983.db2.gz AAQMAOXYXNGBCX-RKDXNWHRSA-N 2 1 258.322 -2.103 20 0 CAADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC[NH2+]CC(N)=O)O1 ZINC001130180085 776644987 /nfs/dbraw/zinc/64/49/87/776644987.db2.gz AAQMAOXYXNGBCX-RKDXNWHRSA-N 2 1 258.322 -2.103 20 0 CAADMP COC[C@H](O)C[NH2+]CCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001130182455 776645314 /nfs/dbraw/zinc/64/53/14/776645314.db2.gz IJZXNKLSVJTNDB-IJLUTSLNSA-N 2 1 289.376 -1.581 20 0 CAADMP COC[C@H](O)C[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001130182455 776645315 /nfs/dbraw/zinc/64/53/15/776645315.db2.gz IJZXNKLSVJTNDB-IJLUTSLNSA-N 2 1 289.376 -1.581 20 0 CAADMP C[C@@H]([NH2+]CCNC(=O)[C@H]1CCCC[N@H+]1C)C(=O)NC(N)=O ZINC001130306280 776647894 /nfs/dbraw/zinc/64/78/94/776647894.db2.gz UQMSALGCIKBFCL-NXEZZACHSA-N 2 1 299.375 -1.240 20 0 CAADMP C[N@H+]1CCCC[C@H]1C(=O)NCC[NH2+][C@@H]1CCC(=O)NC1=O ZINC001130299902 776647954 /nfs/dbraw/zinc/64/79/54/776647954.db2.gz DFQOPJZDLIFFOR-MNOVXSKESA-N 2 1 296.371 -1.018 20 0 CAADMP C[C@H]([NH2+]CCNC(=O)[C@@H]1CCCC[N@H+]1C)C(=O)NC(N)=O ZINC001130306281 776648482 /nfs/dbraw/zinc/64/84/82/776648482.db2.gz UQMSALGCIKBFCL-UWVGGRQHSA-N 2 1 299.375 -1.240 20 0 CAADMP CNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H]1CCCC[N@H+]1C ZINC001130297795 776648855 /nfs/dbraw/zinc/64/88/55/776648855.db2.gz SAUFUVYPNLUVLW-SNVBAGLBSA-N 2 1 299.375 -1.368 20 0 CAADMP CNC(=O)C[NH2+]CCNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001130297532 776649279 /nfs/dbraw/zinc/64/92/79/776649279.db2.gz OBXWHYGYTTUFIJ-JTQLQIEISA-N 2 1 256.350 -1.078 20 0 CAADMP COC[C@@H](O)C[NH2+]CCNC(=O)Cn1c[nH+]cc1C ZINC001131380561 776691254 /nfs/dbraw/zinc/69/12/54/776691254.db2.gz QUYULIUHAKIXJP-NSHDSACASA-N 2 1 270.333 -1.095 20 0 CAADMP Cc1c[nH+]cn1CC(=O)NCC[NH2+]CCOCCO ZINC001131380529 776691271 /nfs/dbraw/zinc/69/12/71/776691271.db2.gz PLBRYTNXYPWGDH-UHFFFAOYSA-N 2 1 270.333 -1.094 20 0 CAADMP Cc1c[nH+]cn1CC(=O)NCC[NH2+][C@H]1CCC(=O)NC1=O ZINC001131380374 776691626 /nfs/dbraw/zinc/69/16/26/776691626.db2.gz KDIULPHQUGSUOE-JTQLQIEISA-N 2 1 293.327 -1.297 20 0 CAADMP O=C(NCC[NH2+]CCCO)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001131521778 776692909 /nfs/dbraw/zinc/69/29/09/776692909.db2.gz HIRBXGGJCDBURR-LXVYMNJGSA-N 2 1 283.372 -1.062 20 0 CAADMP NC(=O)C[NH2+]CCNC(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001131519609 776693202 /nfs/dbraw/zinc/69/32/02/776693202.db2.gz HMIKOWABTJXHKN-RUETXSTFSA-N 2 1 282.344 -1.959 20 0 CAADMP NC(=O)C[NH2+]CCNC(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001131519608 776693915 /nfs/dbraw/zinc/69/39/15/776693915.db2.gz HMIKOWABTJXHKN-QUNCOHTASA-N 2 1 282.344 -1.959 20 0 CAADMP N[C@@H](CN1CCC([NH3+])CC1)C(=O)N1CCC[C@@H]2[NH2+]C[C@@H]21 ZINC001158425331 776695520 /nfs/dbraw/zinc/69/55/20/776695520.db2.gz WUEBJLRZEFVWHW-AVGNSLFASA-N 2 1 281.404 -1.300 20 0 CAADMP CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)[C@@H]1COCC[NH2+]1 ZINC001158499123 776711092 /nfs/dbraw/zinc/71/10/92/776711092.db2.gz WTRUVZMQSDZOQX-FIQHERPVSA-N 2 1 297.355 -1.273 20 0 CAADMP N[C@H]1C[NH2+][C@H](C(=O)N2CC[C@@]34C[NH2+]C[C@@H](C[C@H]3C2)O4)C1 ZINC001158546791 776714730 /nfs/dbraw/zinc/71/47/30/776714730.db2.gz MBMHCCIVJWDRLC-ILOGHGLZSA-N 2 1 280.372 -1.345 20 0 CAADMP C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC001158628799 776739027 /nfs/dbraw/zinc/73/90/27/776739027.db2.gz ACMQAGSSVDKABL-VLEAKVRGSA-N 2 1 286.376 -1.638 20 0 CAADMP CC(C)[N@H+]1CCO[C@H](C(=O)NCC[NH2+][C@@H](C)C(N)=O)C1 ZINC001132848417 776752172 /nfs/dbraw/zinc/75/21/72/776752172.db2.gz HSAFMBQSUZOVFF-QWRGUYRKSA-N 2 1 286.376 -1.325 20 0 CAADMP Cn1nnnc1C[NH2+]CCNC(=O)C1(C[NH+](C)C)CC1 ZINC001132992901 776755791 /nfs/dbraw/zinc/75/57/91/776755791.db2.gz IXDJJBXMPSKOPG-UHFFFAOYSA-N 2 1 281.364 -1.242 20 0 CAADMP Cc1[nH+]cc2n1C[C@H](C(=O)NCC[NH2+]CC(N)=O)CC2 ZINC001133004848 776756305 /nfs/dbraw/zinc/75/63/05/776756305.db2.gz MERNEPHQWOTYQZ-SNVBAGLBSA-N 2 1 279.344 -1.055 20 0 CAADMP Cn1ncnc1C[NH2+]CCNC(=O)CC[NH+](C)C ZINC001133294339 776775873 /nfs/dbraw/zinc/77/58/73/776775873.db2.gz DJAFBUDQSUZHFQ-UHFFFAOYSA-N 2 1 254.338 -1.027 20 0 CAADMP C[NH+](C)CCC(=O)NCC[NH2+]Cc1nnc2n1CCOC2 ZINC001133294273 776776030 /nfs/dbraw/zinc/77/60/30/776776030.db2.gz AMDCPOIATLLQEW-UHFFFAOYSA-N 2 1 296.375 -1.034 20 0 CAADMP C[C@@H]([NH2+]CCNC(=O)C[N@H+]1CC[C@@H](C)C1)C(N)=O ZINC001133845528 776788990 /nfs/dbraw/zinc/78/89/90/776788990.db2.gz IDKRVZBOIOMKLE-NXEZZACHSA-N 2 1 256.350 -1.092 20 0 CAADMP C[C@@H]([NH2+]CCNC(=O)C[N@H+]1CC[C@H](C)C1)C(N)=O ZINC001133845530 776789045 /nfs/dbraw/zinc/78/90/45/776789045.db2.gz IDKRVZBOIOMKLE-VHSXEESVSA-N 2 1 256.350 -1.092 20 0 CAADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC[NH2+]CCN1CCNC1=O ZINC001133863069 776789087 /nfs/dbraw/zinc/78/90/87/776789087.db2.gz JBWYDOIZMHOFAA-NEPJUHHUSA-N 2 1 297.403 -1.085 20 0 CAADMP CNC(=O)NC(=O)C[NH2+]CCNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001133845886 776789514 /nfs/dbraw/zinc/78/95/14/776789514.db2.gz PKUNQHSVCCWZCK-JTQLQIEISA-N 2 1 299.375 -1.510 20 0 CAADMP CNC(=O)NC(=O)C[NH2+]CCNC(=O)C[N@H+]1CCC[C@@H]1C ZINC001133819678 776789712 /nfs/dbraw/zinc/78/97/12/776789712.db2.gz LCLOBMMWOMJYCV-JTQLQIEISA-N 2 1 299.375 -1.368 20 0 CAADMP C[C@@H]([NH2+]CCNC(=O)C[N@H+]1CCC[C@@H]1C)C(=O)NC(N)=O ZINC001133833817 776790095 /nfs/dbraw/zinc/79/00/95/776790095.db2.gz GXQXEFLPHIXVKD-VHSXEESVSA-N 2 1 299.375 -1.240 20 0 CAADMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCC[NH2+]CCN1CCNC1=O ZINC001133863070 776790272 /nfs/dbraw/zinc/79/02/72/776790272.db2.gz JBWYDOIZMHOFAA-NWDGAFQWSA-N 2 1 297.403 -1.085 20 0 CAADMP C[C@H]1CC[N@@H+](CC(=O)NCC[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001133846266 776790760 /nfs/dbraw/zinc/79/07/60/776790760.db2.gz XNQNQOHGMQEBNC-QWRGUYRKSA-N 2 1 296.371 -1.161 20 0 CAADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC[NH2+]CC(=O)N(C)C ZINC001133863546 776790800 /nfs/dbraw/zinc/79/08/00/776790800.db2.gz NWAKOMWBLQPVDV-MNOVXSKESA-N 2 1 270.377 -1.022 20 0 CAADMP C[C@@H]1CC[N@@H+](CC(=O)NCC[NH2+][C@@H]2CCNC2=O)C1 ZINC001133845756 776790821 /nfs/dbraw/zinc/79/08/21/776790821.db2.gz MRNJEJOGSDMTIL-GHMZBOCLSA-N 2 1 268.361 -1.078 20 0 CAADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCC[NH2+]CC(=O)NC(N)=O ZINC001133864329 776792569 /nfs/dbraw/zinc/79/25/69/776792569.db2.gz ZBXGHROERIFYBZ-RKDXNWHRSA-N 2 1 285.348 -1.915 20 0 CAADMP CNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1C ZINC001133869834 776793190 /nfs/dbraw/zinc/79/31/90/776793190.db2.gz MHUHXPBCQMNWQT-UWVGGRQHSA-N 2 1 299.375 -1.655 20 0 CAADMP CN1CCN(C[C@@H](O)C[NH2+]CCOCC[NH+](C)C)CC1 ZINC001118089818 779547451 /nfs/dbraw/zinc/54/74/51/779547451.db2.gz AEPVIYRVPINPFE-AWEZNQCLSA-N 2 1 288.436 -1.238 20 0 CAADMP COCC[N@H+]1CC[C@@H](NC(=O)CNC(=O)C[NH3+])C1 ZINC001118133760 779548556 /nfs/dbraw/zinc/54/85/56/779548556.db2.gz BJFNIKIQYRJMLC-SECBINFHSA-N 2 1 258.322 -2.102 20 0 CAADMP Cn1cc(C[N@H+]2CC[C@@H](C[NH3+])C2)c(=O)n(C)c1=O ZINC001118178680 779550815 /nfs/dbraw/zinc/55/08/15/779550815.db2.gz FDAGNIRRPOZAEY-VIFPVBQESA-N 2 1 252.318 -1.135 20 0 CAADMP [NH3+]CC1(O)CCN(CC(=O)N2CC[NH2+]CC2)CC1 ZINC001118198921 779553349 /nfs/dbraw/zinc/55/33/49/779553349.db2.gz ZTHQANZXULOVLA-UHFFFAOYSA-N 2 1 256.350 -1.796 20 0 CAADMP O=C(C[N@@H+]1CC[C@@H](n2cncn2)C1)N1CC[NH2+]CC1 ZINC001118263695 779558430 /nfs/dbraw/zinc/55/84/30/779558430.db2.gz KOSRLSQUHKADCB-LLVKDONJSA-N 2 1 264.333 -1.043 20 0 CAADMP O=C(C[N@H+]1CC[C@@H](n2cncn2)C1)N1CC[NH2+]CC1 ZINC001118263695 779558434 /nfs/dbraw/zinc/55/84/34/779558434.db2.gz KOSRLSQUHKADCB-LLVKDONJSA-N 2 1 264.333 -1.043 20 0 CAADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC001118283775 779560649 /nfs/dbraw/zinc/56/06/49/779560649.db2.gz GHZHLCGFQNBCJV-NNYUYHANSA-N 2 1 252.362 -1.186 20 0 CAADMP C[C@@H](C(N)=O)[N@@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC001118933097 779598010 /nfs/dbraw/zinc/59/80/10/779598010.db2.gz HIEFLSXBVKVCKT-JLIMGVALSA-N 2 1 268.317 -1.273 20 0 CAADMP C[C@@H](C(N)=O)[N@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC001118933097 779598014 /nfs/dbraw/zinc/59/80/14/779598014.db2.gz HIEFLSXBVKVCKT-JLIMGVALSA-N 2 1 268.317 -1.273 20 0 CAADMP C[C@H]([NH3+])CCNC(=O)C(=O)NCc1c[nH+]c(N(C)C)n1C ZINC001119294919 779610827 /nfs/dbraw/zinc/61/08/27/779610827.db2.gz NSGXKTDMLACQOS-VIFPVBQESA-N 2 1 296.375 -1.044 20 0 CAADMP COCC[N@@H+](C)C[C@@H](O)CN1CC[NH2+]CC[NH2+]CC1 ZINC001119682683 779623171 /nfs/dbraw/zinc/62/31/71/779623171.db2.gz QXNFJJPSXOKKMR-CYBMUJFWSA-N 3 1 274.409 -1.580 20 0 CAADMP COCC[N@H+](C)C[C@@H](O)CN1CCNCC[NH2+]CC1 ZINC001119682683 779623175 /nfs/dbraw/zinc/62/31/75/779623175.db2.gz QXNFJJPSXOKKMR-CYBMUJFWSA-N 2 1 274.409 -1.580 20 0 CAADMP COCC[N@@H+](C)C[C@@H](O)CN1CCNCC[NH2+]CC1 ZINC001119682683 779623180 /nfs/dbraw/zinc/62/31/80/779623180.db2.gz QXNFJJPSXOKKMR-CYBMUJFWSA-N 2 1 274.409 -1.580 20 0 CAADMP COCCC[N@@H+](C)CCNC(=O)[C@H]1C[NH2+]CCN1C ZINC001122002792 779655229 /nfs/dbraw/zinc/65/52/29/779655229.db2.gz KOJIXOYVVZWTFV-GFCCVEGCSA-N 2 1 272.393 -1.026 20 0 CAADMP C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)NCCOCCC[NH3+] ZINC001122095302 779657131 /nfs/dbraw/zinc/65/71/31/779657131.db2.gz AZLFRTUAKZUBTM-NEPJUHHUSA-N 2 1 270.377 -1.144 20 0 CAADMP C[C@H]1CN2CC[N@H+]1C[C@H]2C(=O)NCCOCCC[NH3+] ZINC001122095304 779657308 /nfs/dbraw/zinc/65/73/08/779657308.db2.gz AZLFRTUAKZUBTM-RYUDHWBXSA-N 2 1 270.377 -1.144 20 0 CAADMP C[C@H]1CN2CC[N@H+]1C[C@@H]2C(=O)NCCOCCC[NH3+] ZINC001122095303 779657734 /nfs/dbraw/zinc/65/77/34/779657734.db2.gz AZLFRTUAKZUBTM-NWDGAFQWSA-N 2 1 270.377 -1.144 20 0 CAADMP C[NH2+]CCOCCNC(=O)[C@@H]1C[N@H+]2CCN1C[C@@H]2C ZINC001122169192 779659509 /nfs/dbraw/zinc/65/95/09/779659509.db2.gz XKZDBUMIDMMTCM-RYUDHWBXSA-N 2 1 270.377 -1.273 20 0 CAADMP C[NH2+]CCOCCNC(=O)[C@@H]1C[N@H+]2CCN1C[C@H]2C ZINC001122169190 779659684 /nfs/dbraw/zinc/65/96/84/779659684.db2.gz XKZDBUMIDMMTCM-NEPJUHHUSA-N 2 1 270.377 -1.273 20 0 CAADMP C[NH2+][C@H](C(=O)NC[C@@H]1COCC[NH2+]1)c1cnn(C)c1 ZINC001122172225 779659879 /nfs/dbraw/zinc/65/98/79/779659879.db2.gz UQHJGJWGIIPHPA-MNOVXSKESA-N 2 1 267.333 -1.215 20 0 CAADMP C[NH2+][C@@H](C(=O)NC[C@@H]1COCC[NH2+]1)c1cnn(C)c1 ZINC001122172222 779660010 /nfs/dbraw/zinc/66/00/10/779660010.db2.gz UQHJGJWGIIPHPA-GHMZBOCLSA-N 2 1 267.333 -1.215 20 0 CAADMP C[C@H]1CN2CC[N@H+]1C[C@H]2C(=O)N(C)CCOCC[NH3+] ZINC001122172971 779660684 /nfs/dbraw/zinc/66/06/84/779660684.db2.gz ZBNFWSYQPJKATF-RYUDHWBXSA-N 2 1 270.377 -1.192 20 0 CAADMP C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)N(C)CCOCC[NH3+] ZINC001122172967 779661248 /nfs/dbraw/zinc/66/12/48/779661248.db2.gz ZBNFWSYQPJKATF-NEPJUHHUSA-N 2 1 270.377 -1.192 20 0 CAADMP C[C@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N1CCNCC[NH2+]CC1 ZINC001122288744 779662991 /nfs/dbraw/zinc/66/29/91/779662991.db2.gz NCFBFJGBCNZRLU-QWHCGFSZSA-N 2 1 281.404 -1.604 20 0 CAADMP C[C@H]1CN2CC[N@H+]1C[C@H]2C(=O)N1CCNCC[NH2+]CC1 ZINC001122288745 779663329 /nfs/dbraw/zinc/66/33/29/779663329.db2.gz NCFBFJGBCNZRLU-STQMWFEESA-N 2 1 281.404 -1.604 20 0 CAADMP O=C(N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO)C1(O)C[NH2+]C1 ZINC001122442453 779668611 /nfs/dbraw/zinc/66/86/11/779668611.db2.gz PLMDNIIUCYSIOH-QWRGUYRKSA-N 2 1 269.345 -1.622 20 0 CAADMP CO[C@@H](C[NH3+])C(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCN1C ZINC001122449683 779668763 /nfs/dbraw/zinc/66/87/63/779668763.db2.gz WPKMRRMFJVNEOS-DCAQKATOSA-N 2 1 258.366 -1.289 20 0 CAADMP C[C@H]1CN2CC[N@H+]1C[C@@H]2C(=O)NCCN1CC[NH+](C)CC1 ZINC001123484349 779689363 /nfs/dbraw/zinc/68/93/63/779689363.db2.gz RRGJLJXIPJNBIX-UONOGXRCSA-N 2 1 295.431 -1.262 20 0 CAADMP CNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001124877101 779719412 /nfs/dbraw/zinc/71/94/12/779719412.db2.gz BOKISNBWTUGVFN-UWVGGRQHSA-N 2 1 256.350 -1.079 20 0 CAADMP C[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]CCN1CCNC1=O ZINC001124879491 779718903 /nfs/dbraw/zinc/71/89/03/779718903.db2.gz VBDQLWIPCCHNEZ-NSHDSACASA-N 2 1 283.376 -1.188 20 0 CAADMP C[C@@H]([NH2+]CCNC(=O)[C@@H]1CCC[N@H+]1C)C(=O)NC(N)=O ZINC001124866344 779718931 /nfs/dbraw/zinc/71/89/31/779718931.db2.gz AOQJJLFUGKEVIZ-BDAKNGLRSA-N 2 1 285.348 -1.630 20 0 CAADMP COC[C@H](O)C[NH2+]CCNC(=O)[C@H]1CCC[N@H+]1C ZINC001124877638 779719172 /nfs/dbraw/zinc/71/91/72/779719172.db2.gz HIZNJHQYLWMMTN-GHMZBOCLSA-N 2 1 259.350 -1.206 20 0 CAADMP C[C@@H]([NH2+]CCNC(=O)[C@H]1CCC[N@H+]1C)C(=O)NC(N)=O ZINC001124866347 779719323 /nfs/dbraw/zinc/71/93/23/779719323.db2.gz AOQJJLFUGKEVIZ-RKDXNWHRSA-N 2 1 285.348 -1.630 20 0 CAADMP C[N@H+]1CCC[C@@H]1C(=O)NCC[NH2+]CC(=O)NC(N)=O ZINC001124873281 779719895 /nfs/dbraw/zinc/71/98/95/779719895.db2.gz VLWKUECLVBLIAC-MRVPVSSYSA-N 2 1 271.321 -2.019 20 0 CAADMP C[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+]CC(=O)NCC2CC2)C1 ZINC001125213290 779723397 /nfs/dbraw/zinc/72/33/97/779723397.db2.gz CXNXHDOMCCEJKF-GFCCVEGCSA-N 2 1 298.387 -1.451 20 0 CAADMP C[N@H+]1CCO[C@@H](C(=O)NCC[NH2+]CC(=O)NCC2CC2)C1 ZINC001125213290 779723399 /nfs/dbraw/zinc/72/33/99/779723399.db2.gz CXNXHDOMCCEJKF-GFCCVEGCSA-N 2 1 298.387 -1.451 20 0 CAADMP COCCOCC[NH2+]CCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001125220857 779723425 /nfs/dbraw/zinc/72/34/25/779723425.db2.gz LJBVCXRYOBCJIZ-LBPRGKRZSA-N 2 1 289.376 -1.314 20 0 CAADMP COCCOCC[NH2+]CCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001125220857 779723428 /nfs/dbraw/zinc/72/34/28/779723428.db2.gz LJBVCXRYOBCJIZ-LBPRGKRZSA-N 2 1 289.376 -1.314 20 0 CAADMP C[N@@H+]1CCO[C@H](C(=O)NCC[NH2+]CCN2CCNC2=O)C1 ZINC001125219762 779723588 /nfs/dbraw/zinc/72/35/88/779723588.db2.gz BHDXXAXWDHGQCM-NSHDSACASA-N 2 1 299.375 -1.952 20 0 CAADMP C[N@H+]1CCO[C@H](C(=O)NCC[NH2+]CCN2CCNC2=O)C1 ZINC001125219762 779723595 /nfs/dbraw/zinc/72/35/95/779723595.db2.gz BHDXXAXWDHGQCM-NSHDSACASA-N 2 1 299.375 -1.952 20 0 CAADMP CN(C)C(=O)C[NH2+]CCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001125220839 779723965 /nfs/dbraw/zinc/72/39/65/779723965.db2.gz KYHYUHAISZIVGZ-SNVBAGLBSA-N 2 1 272.349 -1.889 20 0 CAADMP CN(C)C(=O)C[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001125220839 779723971 /nfs/dbraw/zinc/72/39/71/779723971.db2.gz KYHYUHAISZIVGZ-SNVBAGLBSA-N 2 1 272.349 -1.889 20 0 CAADMP C[C@H]([NH2+]CCNC(=O)[C@H]1C[N@H+](C)CCO1)C(=O)NC1CC1 ZINC001125203344 779724299 /nfs/dbraw/zinc/72/42/99/779724299.db2.gz MACHDUIEXBCQFX-CMPLNLGQSA-N 2 1 298.387 -1.310 20 0 CAADMP C[C@H]([NH2+]CCNC(=O)[C@H]1C[N@@H+](C)CCO1)C(=O)NC1CC1 ZINC001125203344 779724300 /nfs/dbraw/zinc/72/43/00/779724300.db2.gz MACHDUIEXBCQFX-CMPLNLGQSA-N 2 1 298.387 -1.310 20 0 CAADMP COCCOCC[NH2+]CCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001125220856 779724344 /nfs/dbraw/zinc/72/43/44/779724344.db2.gz LJBVCXRYOBCJIZ-GFCCVEGCSA-N 2 1 289.376 -1.314 20 0 CAADMP COCCOCC[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001125220856 779724350 /nfs/dbraw/zinc/72/43/50/779724350.db2.gz LJBVCXRYOBCJIZ-GFCCVEGCSA-N 2 1 289.376 -1.314 20 0 CAADMP C[N@@H+]1CCO[C@H](C(=O)NCC[NH2+]CCS(C)(=O)=O)C1 ZINC001125214427 779724498 /nfs/dbraw/zinc/72/44/98/779724498.db2.gz SZJJBBBZGOJWJA-JTQLQIEISA-N 2 1 293.389 -1.933 20 0 CAADMP C[N@H+]1CCO[C@H](C(=O)NCC[NH2+]CCS(C)(=O)=O)C1 ZINC001125214427 779724499 /nfs/dbraw/zinc/72/44/99/779724499.db2.gz SZJJBBBZGOJWJA-JTQLQIEISA-N 2 1 293.389 -1.933 20 0 CAADMP C[C@@H]([NH2+]CCNC(=O)[C@@H]1C[N@H+](C)CCO1)C(=O)N(C)C ZINC001125220873 779724544 /nfs/dbraw/zinc/72/45/44/779724544.db2.gz LTHVTDKWACXQAL-MNOVXSKESA-N 2 1 286.376 -1.501 20 0 CAADMP C[C@@H]([NH2+]CCNC(=O)[C@@H]1C[N@@H+](C)CCO1)C(=O)N(C)C ZINC001125220873 779724549 /nfs/dbraw/zinc/72/45/49/779724549.db2.gz LTHVTDKWACXQAL-MNOVXSKESA-N 2 1 286.376 -1.501 20 0 CAADMP C[C@H]([NH2+]CCNC(=O)[C@@H]1C[N@H+](C)CCO1)C(=O)N(C)C ZINC001125220874 779724561 /nfs/dbraw/zinc/72/45/61/779724561.db2.gz LTHVTDKWACXQAL-QWRGUYRKSA-N 2 1 286.376 -1.501 20 0 CAADMP C[C@H]([NH2+]CCNC(=O)[C@@H]1C[N@@H+](C)CCO1)C(=O)N(C)C ZINC001125220874 779724562 /nfs/dbraw/zinc/72/45/62/779724562.db2.gz LTHVTDKWACXQAL-QWRGUYRKSA-N 2 1 286.376 -1.501 20 0 CAADMP CCCNC(=O)C[NH2+]CCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001125220227 779724645 /nfs/dbraw/zinc/72/46/45/779724645.db2.gz GAEKEHUSPMYIKY-NSHDSACASA-N 2 1 286.376 -1.451 20 0 CAADMP CCCNC(=O)C[NH2+]CCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001125220227 779724647 /nfs/dbraw/zinc/72/46/47/779724647.db2.gz GAEKEHUSPMYIKY-NSHDSACASA-N 2 1 286.376 -1.451 20 0 CAADMP Cn1nccc1C[NH2+]CCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001125213881 779724671 /nfs/dbraw/zinc/72/46/71/779724671.db2.gz MGUUBRPZXQQGAZ-LBPRGKRZSA-N 2 1 281.360 -1.044 20 0 CAADMP Cn1nccc1C[NH2+]CCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001125213881 779724677 /nfs/dbraw/zinc/72/46/77/779724677.db2.gz MGUUBRPZXQQGAZ-LBPRGKRZSA-N 2 1 281.360 -1.044 20 0 CAADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)[C@@H]1C[NH2+]CCO1 ZINC000225355678 779729670 /nfs/dbraw/zinc/72/96/70/779729670.db2.gz AZSAAYLHCSZFET-QWRGUYRKSA-N 2 1 256.350 -1.663 20 0 CAADMP C[NH+]1CCN(CCC(=O)NCC[NH2+]CCO)CC1 ZINC001143236733 779769590 /nfs/dbraw/zinc/76/95/90/779769590.db2.gz RZSADBWEZZEDAK-UHFFFAOYSA-N 2 1 258.366 -1.678 20 0 CAADMP CC[C@@H]([NH2+]CCNC(=O)[C@H]1CC[N@@H+](C)C1)C(N)=O ZINC001151064369 779801690 /nfs/dbraw/zinc/80/16/90/779801690.db2.gz ARMUPYBNBBGPAZ-VHSXEESVSA-N 2 1 256.350 -1.092 20 0 CAADMP C[N@H+]1CC[C@H](C(=O)NCC[NH2+]CC(=O)NC2CC2)C1 ZINC001151049207 779801916 /nfs/dbraw/zinc/80/19/16/779801916.db2.gz KBETVNPZJWMLOM-JTQLQIEISA-N 2 1 268.361 -1.078 20 0 CAADMP Cn1nncc1C[NH2+]CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001151048955 779801941 /nfs/dbraw/zinc/80/19/41/779801941.db2.gz FRCHAXVCKVRCBD-SNVBAGLBSA-N 2 1 266.349 -1.027 20 0 CAADMP CNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001151049166 779802024 /nfs/dbraw/zinc/80/20/24/779802024.db2.gz IXTILRHKVDQLFS-VIFPVBQESA-N 2 1 285.348 -1.901 20 0 CAADMP C[N@H+]1CC[C@H](C(=O)NCC[NH2+]CCOCCO)C1 ZINC001151055704 779802138 /nfs/dbraw/zinc/80/21/38/779802138.db2.gz HKNAQPCKKVTNPX-NSHDSACASA-N 2 1 259.350 -1.347 20 0 CAADMP COC[C@@H](O)C[NH2+]CCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001151058102 779802403 /nfs/dbraw/zinc/80/24/03/779802403.db2.gz WIDRNKOPNMDCRU-QWRGUYRKSA-N 2 1 259.350 -1.349 20 0 CAADMP CCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001151049568 779802456 /nfs/dbraw/zinc/80/24/56/779802456.db2.gz SBIMVBGUGQQSOT-SNVBAGLBSA-N 2 1 299.375 -1.510 20 0 CAADMP C[N@H+]1CC[C@H](C(=O)NCC[NH2+]CCN2C(=O)CNC2=O)C1 ZINC001151064643 779802590 /nfs/dbraw/zinc/80/25/90/779802590.db2.gz CJUYXKQEZMXEFX-JTQLQIEISA-N 2 1 297.359 -1.804 20 0 CAADMP Cn1cc(C[NH2+]CCNC(=O)[C@@H]2CC[N@H+](C)C2)nn1 ZINC001151056601 779803092 /nfs/dbraw/zinc/80/30/92/779803092.db2.gz NYXGUAXHFWLAEY-SNVBAGLBSA-N 2 1 266.349 -1.027 20 0 CAADMP Cn1cc(C[NH2+]CCNC(=O)[C@@H]2CC[N@@H+](C)C2)nn1 ZINC001151056601 779803101 /nfs/dbraw/zinc/80/31/01/779803101.db2.gz NYXGUAXHFWLAEY-SNVBAGLBSA-N 2 1 266.349 -1.027 20 0 CAADMP C[N@H+]1CC[C@@H](C(=O)NCC[NH2+]CCS(C)(=O)=O)C1 ZINC001151049798 779803242 /nfs/dbraw/zinc/80/32/42/779803242.db2.gz ZEXOCZNLDRKNIJ-SNVBAGLBSA-N 2 1 277.390 -1.312 20 0 CAADMP C[N@H+]1CC[C@H](C(=O)NCC[NH2+][C@@H]2CCCNC2=O)C1 ZINC001151049547 779803296 /nfs/dbraw/zinc/80/32/96/779803296.db2.gz RQHCAIRPUYMXKB-WDEREUQCSA-N 2 1 268.361 -1.078 20 0 CAADMP Cn1cc(C[NH2+]CCNC(=O)[C@H]2CC[N@H+](C)C2)nn1 ZINC001151056599 779803355 /nfs/dbraw/zinc/80/33/55/779803355.db2.gz NYXGUAXHFWLAEY-JTQLQIEISA-N 2 1 266.349 -1.027 20 0 CAADMP Cn1cc(C[NH2+]CCNC(=O)[C@H]2CC[N@@H+](C)C2)nn1 ZINC001151056599 779803362 /nfs/dbraw/zinc/80/33/62/779803362.db2.gz NYXGUAXHFWLAEY-JTQLQIEISA-N 2 1 266.349 -1.027 20 0 CAADMP CN(C)C(=O)C[NH2+]CCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001151049261 779803395 /nfs/dbraw/zinc/80/33/95/779803395.db2.gz LTXUZAHALCWYEN-JTQLQIEISA-N 2 1 256.350 -1.268 20 0 CAADMP C[N@H+]1CC[C@@H](C(=O)NCC[NH2+]C[C@@H](O)Cn2cccn2)C1 ZINC001151073112 779803531 /nfs/dbraw/zinc/80/35/31/779803531.db2.gz GICBLVVVVPOAKK-CHWSQXEVSA-N 2 1 295.387 -1.099 20 0 CAADMP C[N@H+]1CC[C@H](C(=O)NCC[NH2+]C[C@@H](O)Cn2cccn2)C1 ZINC001151073115 779803592 /nfs/dbraw/zinc/80/35/92/779803592.db2.gz GICBLVVVVPOAKK-QWHCGFSZSA-N 2 1 295.387 -1.099 20 0 CAADMP Cn1cnnc1C[NH2+]CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001151049000 779803611 /nfs/dbraw/zinc/80/36/11/779803611.db2.gz GPGOSZQDLQZCQU-SNVBAGLBSA-N 2 1 266.349 -1.027 20 0 CAADMP Cn1cnnc1C[NH2+]CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001151049000 779803619 /nfs/dbraw/zinc/80/36/19/779803619.db2.gz GPGOSZQDLQZCQU-SNVBAGLBSA-N 2 1 266.349 -1.027 20 0 CAADMP Cc1[nH+]ccn1CC(=O)NCC[NH2+]CCOCCO ZINC001151114797 779805002 /nfs/dbraw/zinc/80/50/02/779805002.db2.gz PZBVTSGOBYUJON-UHFFFAOYSA-N 2 1 270.333 -1.094 20 0 CAADMP Cc1[nH+]ccn1CC(=O)NCC[NH2+]CC(=O)NC(N)=O ZINC001151122264 779805285 /nfs/dbraw/zinc/80/52/85/779805285.db2.gz PZYFRQNANNFNMF-UHFFFAOYSA-N 2 1 282.304 -1.908 20 0 CAADMP C[C@H]([NH2+]CCNC(=O)[C@H]1CC[N@@H+](C)C1)C(=O)NC(N)=O ZINC001151074379 779805308 /nfs/dbraw/zinc/80/53/08/779805308.db2.gz XLGRCWRYYSUNOD-IUCAKERBSA-N 2 1 285.348 -1.773 20 0 CAADMP Cc1[nH+]ccn1CC(=O)NCC[NH2+][C@@H](C)C(=O)NC(N)=O ZINC001151147769 779805427 /nfs/dbraw/zinc/80/54/27/779805427.db2.gz VLOIQZBPUYHUDA-QMMMGPOBSA-N 2 1 296.331 -1.519 20 0 CAADMP Cc1[nH+]ccn1CC(=O)NCC[NH2+]CCN1CCNC1=O ZINC001151113910 779805475 /nfs/dbraw/zinc/80/54/75/779805475.db2.gz AVWXBBWMSDEMPV-UHFFFAOYSA-N 2 1 294.359 -1.077 20 0 CAADMP CC[C@H]([NH2+]CCNC(=O)[C@@H]1C[N@H+](CC)CCO1)C(N)=O ZINC001151740251 779814264 /nfs/dbraw/zinc/81/42/64/779814264.db2.gz QZMNSTSCVAHRPN-QWRGUYRKSA-N 2 1 286.376 -1.323 20 0 CAADMP CC[C@H]([NH2+]CCNC(=O)[C@@H]1C[N@@H+](CC)CCO1)C(N)=O ZINC001151740251 779814268 /nfs/dbraw/zinc/81/42/68/779814268.db2.gz QZMNSTSCVAHRPN-QWRGUYRKSA-N 2 1 286.376 -1.323 20 0 CAADMP CC[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+]C[C@H](O)COC)C1 ZINC001151740492 779814992 /nfs/dbraw/zinc/81/49/92/779814992.db2.gz UQTWUMQKEXVDGB-NWDGAFQWSA-N 2 1 289.376 -1.580 20 0 CAADMP CC[N@H+]1CCO[C@@H](C(=O)NCC[NH2+]C[C@H](O)COC)C1 ZINC001151740492 779814998 /nfs/dbraw/zinc/81/49/98/779814998.db2.gz UQTWUMQKEXVDGB-NWDGAFQWSA-N 2 1 289.376 -1.580 20 0 CAADMP CC[N@@H+]1CCO[C@H](C(=O)NCC[NH2+][C@H](C)C(=O)NC)C1 ZINC001151740488 779815306 /nfs/dbraw/zinc/81/53/06/779815306.db2.gz UQHDZBMPJUFLDG-MNOVXSKESA-N 2 1 286.376 -1.453 20 0 CAADMP CC[N@H+]1CCO[C@H](C(=O)NCC[NH2+][C@H](C)C(=O)NC)C1 ZINC001151740488 779815313 /nfs/dbraw/zinc/81/53/13/779815313.db2.gz UQHDZBMPJUFLDG-MNOVXSKESA-N 2 1 286.376 -1.453 20 0 CAADMP CC[N@@H+]1CCO[C@H](C(=O)NCC[NH2+]C[C@@H](O)COC)C1 ZINC001151740491 779815511 /nfs/dbraw/zinc/81/55/11/779815511.db2.gz UQTWUMQKEXVDGB-NEPJUHHUSA-N 2 1 289.376 -1.580 20 0 CAADMP CC[N@H+]1CCO[C@H](C(=O)NCC[NH2+]C[C@@H](O)COC)C1 ZINC001151740491 779815517 /nfs/dbraw/zinc/81/55/17/779815517.db2.gz UQTWUMQKEXVDGB-NEPJUHHUSA-N 2 1 289.376 -1.580 20 0 CAADMP CC[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+]C[C@H](C)O)C1 ZINC001151738977 779815736 /nfs/dbraw/zinc/81/57/36/779815736.db2.gz JJEYCUOOUQPJTF-WDEREUQCSA-N 2 1 259.350 -1.206 20 0 CAADMP CC[N@H+]1CCO[C@@H](C(=O)NCC[NH2+]C[C@H](C)O)C1 ZINC001151738977 779815742 /nfs/dbraw/zinc/81/57/42/779815742.db2.gz JJEYCUOOUQPJTF-WDEREUQCSA-N 2 1 259.350 -1.206 20 0 CAADMP CC[N@@H+]1CCO[C@H](C(=O)NCC[NH2+]C[C@H](O)COC)C1 ZINC001151740493 779815810 /nfs/dbraw/zinc/81/58/10/779815810.db2.gz UQTWUMQKEXVDGB-RYUDHWBXSA-N 2 1 289.376 -1.580 20 0 CAADMP CC[N@H+]1CCO[C@H](C(=O)NCC[NH2+]C[C@H](O)COC)C1 ZINC001151740493 779815814 /nfs/dbraw/zinc/81/58/14/779815814.db2.gz UQTWUMQKEXVDGB-RYUDHWBXSA-N 2 1 289.376 -1.580 20 0 CAADMP CC[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+]CC(=O)NC)C1 ZINC001151739856 779816219 /nfs/dbraw/zinc/81/62/19/779816219.db2.gz ODIZNUBKXCCJTB-SNVBAGLBSA-N 2 1 272.349 -1.841 20 0 CAADMP CC[N@H+]1CCO[C@@H](C(=O)NCC[NH2+]CC(=O)NC)C1 ZINC001151739856 779816224 /nfs/dbraw/zinc/81/62/24/779816224.db2.gz ODIZNUBKXCCJTB-SNVBAGLBSA-N 2 1 272.349 -1.841 20 0 CAADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NCC[NH2+]CC(=O)NC(N)=O ZINC001152147419 779820692 /nfs/dbraw/zinc/82/06/92/779820692.db2.gz NFUCLFMGTYKLKX-AOOOYVTPSA-N 2 1 299.375 -1.240 20 0 CAADMP CC(C)[N@@H+](C)CC(=O)NCC[NH2+]CC(=O)NC(N)=O ZINC001152433242 779824353 /nfs/dbraw/zinc/82/43/53/779824353.db2.gz ZGLFOAZICHGYLT-UHFFFAOYSA-N 2 1 273.337 -1.773 20 0 CAADMP C[C@@H](O)C[NH2+]CCCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001156145654 779883648 /nfs/dbraw/zinc/88/36/48/779883648.db2.gz NHVBQXBEPDATRT-GHMZBOCLSA-N 2 1 259.350 -1.206 20 0 CAADMP CS(=O)(=O)N(CC[NH3+])c1ncc2c(n1)C[NH2+]C2 ZINC001154770740 779865190 /nfs/dbraw/zinc/86/51/90/779865190.db2.gz POEALSKLODVAAQ-UHFFFAOYSA-N 2 1 257.319 -1.196 20 0 CAADMP Cn1[nH]c(C[NH2+]CCCNC(=O)[C@@H]2CCC[N@H+]2C)nc1=O ZINC001155790978 779876030 /nfs/dbraw/zinc/87/60/30/779876030.db2.gz QDAOGNDHTMTSBK-JTQLQIEISA-N 2 1 296.375 -1.202 20 0 CAADMP CNC(=O)C[NH2+]CCCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001155789895 779876134 /nfs/dbraw/zinc/87/61/34/779876134.db2.gz GXCMQEHWHJPLJL-JTQLQIEISA-N 2 1 256.350 -1.078 20 0 CAADMP CNC(=O)C[NH2+]CCCNC(=O)[C@H]1CCC[N@H+]1C ZINC001155789896 779876173 /nfs/dbraw/zinc/87/61/73/779876173.db2.gz GXCMQEHWHJPLJL-SNVBAGLBSA-N 2 1 256.350 -1.078 20 0 CAADMP C[C@@H]([NH2+]CCCNC(=O)[C@@H]1CCC[N@H+]1C)C(=O)NC(N)=O ZINC001155821918 779877333 /nfs/dbraw/zinc/87/73/33/779877333.db2.gz FDNLZGMJZISAFO-ZJUUUORDSA-N 2 1 299.375 -1.240 20 0 CAADMP Cn1nnnc1C[NH2+]CCCNC(=O)[C@H]1CCC[N@H+]1C ZINC001155791603 779877535 /nfs/dbraw/zinc/87/75/35/779877535.db2.gz XRTZPRILACLRIL-SNVBAGLBSA-N 2 1 281.364 -1.100 20 0 CAADMP C[N@H+]1CCC[C@@H]1C(=O)NCCC[NH2+][C@@H]1CCC(=O)NC1=O ZINC001155795526 779878048 /nfs/dbraw/zinc/87/80/48/779878048.db2.gz HSBBDQUTDBTOSZ-GHMZBOCLSA-N 2 1 296.371 -1.018 20 0 CAADMP C[NH+]1CCN(c2nccc(N(CC[NH3+])CCO)n2)CC1 ZINC001155952715 779880704 /nfs/dbraw/zinc/88/07/04/779880704.db2.gz FEVPTVHXBXKDDN-UHFFFAOYSA-N 2 1 280.376 -1.014 20 0 CAADMP COC[C@H](O)C[NH2+]CCCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001156145919 779882549 /nfs/dbraw/zinc/88/25/49/779882549.db2.gz QYOMWMSAINGTOC-NEPJUHHUSA-N 2 1 289.376 -1.580 20 0 CAADMP COC[C@H](O)C[NH2+]CCCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001156145919 779882557 /nfs/dbraw/zinc/88/25/57/779882557.db2.gz QYOMWMSAINGTOC-NEPJUHHUSA-N 2 1 289.376 -1.580 20 0 CAADMP C[C@H](O)C[NH2+]CCCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001156145657 779882671 /nfs/dbraw/zinc/88/26/71/779882671.db2.gz NHVBQXBEPDATRT-WDEREUQCSA-N 2 1 259.350 -1.206 20 0 CAADMP C[C@H](O)C[NH2+]CCCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001156145657 779882678 /nfs/dbraw/zinc/88/26/78/779882678.db2.gz NHVBQXBEPDATRT-WDEREUQCSA-N 2 1 259.350 -1.206 20 0 CAADMP C[N@@H+]1CCO[C@@H](C(=O)NCCC[NH2+]CCn2cncn2)C1 ZINC001156125763 779882689 /nfs/dbraw/zinc/88/26/89/779882689.db2.gz PGEPDPDDHJNKKW-GFCCVEGCSA-N 2 1 296.375 -1.295 20 0 CAADMP C[N@H+]1CCO[C@@H](C(=O)NCCC[NH2+]CCn2cncn2)C1 ZINC001156125763 779882696 /nfs/dbraw/zinc/88/26/96/779882696.db2.gz PGEPDPDDHJNKKW-GFCCVEGCSA-N 2 1 296.375 -1.295 20 0 CAADMP COC[C@@H](O)C[NH2+]CCCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001156145932 779883099 /nfs/dbraw/zinc/88/30/99/779883099.db2.gz QYOMWMSAINGTOC-NWDGAFQWSA-N 2 1 289.376 -1.580 20 0 CAADMP COC[C@@H](O)C[NH2+]CCCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001156145932 779883105 /nfs/dbraw/zinc/88/31/05/779883105.db2.gz QYOMWMSAINGTOC-NWDGAFQWSA-N 2 1 289.376 -1.580 20 0 CAADMP COC[C@H](O)C[NH2+]CCCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001156145935 779883204 /nfs/dbraw/zinc/88/32/04/779883204.db2.gz QYOMWMSAINGTOC-VXGBXAGGSA-N 2 1 289.376 -1.580 20 0 CAADMP COC[C@H](O)C[NH2+]CCCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001156145935 779883212 /nfs/dbraw/zinc/88/32/12/779883212.db2.gz QYOMWMSAINGTOC-VXGBXAGGSA-N 2 1 289.376 -1.580 20 0 CAADMP C[C@@H](O)C[NH2+]CCCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001156145654 779883644 /nfs/dbraw/zinc/88/36/44/779883644.db2.gz NHVBQXBEPDATRT-GHMZBOCLSA-N 2 1 259.350 -1.206 20 0 CAADMP C[N@@H+]1CCO[C@H](C(=O)NCCC[NH2+]CC(=O)N2CCC2)C1 ZINC001156146481 779884527 /nfs/dbraw/zinc/88/45/27/779884527.db2.gz ZIXDEWIMVZVMIQ-LBPRGKRZSA-N 2 1 298.387 -1.355 20 0 CAADMP C[N@H+]1CCO[C@H](C(=O)NCCC[NH2+]CC(=O)N2CCC2)C1 ZINC001156146481 779884531 /nfs/dbraw/zinc/88/45/31/779884531.db2.gz ZIXDEWIMVZVMIQ-LBPRGKRZSA-N 2 1 298.387 -1.355 20 0 CAADMP [NH3+]C1CCN(c2cc[nH+]c(NC(CO)(CO)CO)n2)CC1 ZINC001157152512 779897073 /nfs/dbraw/zinc/89/70/73/779897073.db2.gz DZDSGNRBLKFIEZ-UHFFFAOYSA-N 2 1 297.359 -1.468 20 0 CAADMP CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H]([NH3+])Cc1c[nH]cn1 ZINC001157323940 779899691 /nfs/dbraw/zinc/89/96/91/779899691.db2.gz BAECXVNAHYWPQP-MNOVXSKESA-N 2 1 296.375 -1.361 20 0 CAADMP CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@]1(C)COCC[NH2+]1 ZINC001157337467 779900523 /nfs/dbraw/zinc/90/05/23/779900523.db2.gz VOHYNZXRKBDLRA-GWCFXTLKSA-N 2 1 286.376 -1.275 20 0 CAADMP CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@]1(C)COCC[NH2+]1 ZINC001157337468 779901056 /nfs/dbraw/zinc/90/10/56/779901056.db2.gz VOHYNZXRKBDLRA-GXFFZTMASA-N 2 1 286.376 -1.275 20 0 CAADMP Cc1cc(N(C(N)=[NH2+])C(=O)[C@@H]2CCCN2C(=O)C[NH3+])n[nH]1 ZINC001157439245 779902560 /nfs/dbraw/zinc/90/25/60/779902560.db2.gz BBNFXACSTIHAFP-QMMMGPOBSA-N 2 1 293.331 -1.106 20 0 CAADMP Cc1cc(N(C(N)=[NH2+])C(=O)[C@@H]2COC3(C[NH2+]C3)CN2)n[nH]1 ZINC001157439899 779902608 /nfs/dbraw/zinc/90/26/08/779902608.db2.gz PPXLUJMOEOPBFN-QMMMGPOBSA-N 2 1 293.331 -1.725 20 0 CAADMP Cc1cc(N(C(N)=[NH2+])C(=O)[C@]23C[NH2+]C[C@H]2CCN3)n[nH]1 ZINC001157439378 779902813 /nfs/dbraw/zinc/90/28/13/779902813.db2.gz HQMFOQNMTJWOTB-PELKAZGASA-N 2 1 277.332 -1.104 20 0 CAADMP Cc1cc(N(C(N)=[NH2+])C(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3N2)n[nH]1 ZINC001157440452 779903434 /nfs/dbraw/zinc/90/34/34/779903434.db2.gz XRYSTWAJANSEOA-XHNCKOQMSA-N 2 1 277.332 -1.106 20 0 CAADMP Cc1cc(N(C(=N)N)C(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)n[nH]1 ZINC001157439568 779903499 /nfs/dbraw/zinc/90/34/99/779903499.db2.gz KGVHFSPAVHLSNX-QMMMGPOBSA-N 2 1 277.332 -1.246 20 0 CAADMP CCOC(=O)c1c[nH]nc1CNC(=O)[C@@H]([NH3+])CC[NH3+] ZINC001157448621 779903622 /nfs/dbraw/zinc/90/36/22/779903622.db2.gz CFDJZRCDXXAQOY-QMMMGPOBSA-N 2 1 269.305 -1.121 20 0 CAADMP [NH3+]CC[C@H]([NH3+])C(=O)N1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC001157496977 779905916 /nfs/dbraw/zinc/90/59/16/779905916.db2.gz LEXDITRXYNRHAJ-QWRGUYRKSA-N 2 1 284.360 -1.488 20 0 CAADMP COC(=O)[C@H]1CC[N@H+](CC(=O)N2C[C@@H](F)[C@@H]([NH3+])C2)C1 ZINC001157545379 779909011 /nfs/dbraw/zinc/90/90/11/779909011.db2.gz RWMBVKUYTZPWJK-AEJSXWLSSA-N 2 1 273.308 -1.011 20 0 CAADMP COC(=O)[C@H]1CC[N@@H+](CC(=O)N2C[C@@H](F)[C@@H]([NH3+])C2)C1 ZINC001157545379 779909013 /nfs/dbraw/zinc/90/90/13/779909013.db2.gz RWMBVKUYTZPWJK-AEJSXWLSSA-N 2 1 273.308 -1.011 20 0 CAADMP N[C@H](CN1CCC([NH3+])CC1)C(=O)N1C[C@@H](F)[C@@H]([NH3+])C1 ZINC001157544957 779909044 /nfs/dbraw/zinc/90/90/44/779909044.db2.gz KBFQXIOLXUJOCD-OUAUKWLOSA-N 2 1 273.356 -1.756 20 0 CAADMP CC1([NH3+])CN(C(=O)[C@@H](N)CN2CCC([NH3+])CC2)C1 ZINC001157652003 779909346 /nfs/dbraw/zinc/90/93/46/779909346.db2.gz VSEXGKNTTWVIPA-JTQLQIEISA-N 2 1 255.366 -1.704 20 0 CAADMP CN(C[C@H]1C[NH2+]CCO1)C(=O)[C@H]([NH3+])Cc1c[nH]cn1 ZINC001157715339 779910427 /nfs/dbraw/zinc/91/04/27/779910427.db2.gz DRQUIXLMXZDJRX-GHMZBOCLSA-N 2 1 267.333 -1.274 20 0 CAADMP CN(C[C@@H]1C[NH2+]CCO1)C(=O)C[NH2+]C1CC[NH2+]CC1 ZINC001157715313 779910470 /nfs/dbraw/zinc/91/04/70/779910470.db2.gz DMYJWFAXYIZNBM-LBPRGKRZSA-N 3 1 270.377 -1.225 20 0 CAADMP CN(C[C@@H]1C[NH2+]CCO1)C(=O)[C@@H](N)CN1CCC([NH3+])CC1 ZINC001157721389 779912319 /nfs/dbraw/zinc/91/23/19/779912319.db2.gz XIDIBUXKHVBURG-STQMWFEESA-N 2 1 299.419 -1.816 20 0 CAADMP C[C@@H]1CCN(C(=O)[C@H](N)CN2CCC([NH3+])CC2)C[C@@H]1[NH3+] ZINC001157809868 779913659 /nfs/dbraw/zinc/91/36/59/779913659.db2.gz GXNSDEVZGAFNLW-KGYLQXTDSA-N 2 1 283.420 -1.068 20 0 CAADMP C[C@@H]1CCN(C(=O)[C@@H](N)CN2CCC([NH3+])CC2)C[C@@H]1[NH3+] ZINC001157809879 779913791 /nfs/dbraw/zinc/91/37/91/779913791.db2.gz GXNSDEVZGAFNLW-WXHSDQCUSA-N 2 1 283.420 -1.068 20 0 CAADMP O=C(C[NH2+]C1CC[NH2+]CC1)N1CC[C@@H](O)[C@H](CO)C1 ZINC001157933507 779917140 /nfs/dbraw/zinc/91/71/40/779917140.db2.gz ARCBKONVWMOWQC-CMPLNLGQSA-N 2 1 271.361 -1.470 20 0 CAADMP O=C(C[NH2+]C1CC[NH2+]CC1)N1CC[C@H](O)[C@@H](CO)C1 ZINC001157933509 779917265 /nfs/dbraw/zinc/91/72/65/779917265.db2.gz ARCBKONVWMOWQC-PWSUYJOCSA-N 2 1 271.361 -1.470 20 0 CAADMP O=C(C[NH2+]C1CC[NH2+]CC1)N1CC[C@H](CO)[C@H](O)C1 ZINC001157905869 779918007 /nfs/dbraw/zinc/91/80/07/779918007.db2.gz XKCMFJFXYZIEQY-ZYHUDNBSSA-N 2 1 271.361 -1.470 20 0 CAADMP C[C@]1(CO)CN(C(=O)C[NH2+]C2CC[NH2+]CC2)CC[C@@H]1O ZINC001157942936 779920098 /nfs/dbraw/zinc/92/00/98/779920098.db2.gz AYMCIRIHCCLLIE-GXTWGEPZSA-N 2 1 285.388 -1.080 20 0 CAADMP C[C@@]1(CO)CN(C(=O)C[NH2+]C2CC[NH2+]CC2)CC[C@@H]1O ZINC001157942938 779919850 /nfs/dbraw/zinc/91/98/50/779919850.db2.gz AYMCIRIHCCLLIE-JSGCOSHPSA-N 2 1 285.388 -1.080 20 0 CAADMP C[C@@]1(CO)CCN(C(=O)C[NH2+]C2CC[NH2+]CC2)C[C@H]1O ZINC001157943940 779920305 /nfs/dbraw/zinc/92/03/05/779920305.db2.gz HIYSKXCAEHYNQV-OCCSQVGLSA-N 2 1 285.388 -1.080 20 0 CAADMP CC(=O)OC[C@H]([NH3+])C(=O)N1CC(=O)NC[C@@]12CC[NH2+]C2 ZINC001158092166 779925509 /nfs/dbraw/zinc/92/55/09/779925509.db2.gz LLFAZJMANSPVIX-CABZTGNLSA-N 2 1 284.316 -2.433 20 0 CAADMP O=C([C@@H]1COC[NH2+]1)N1CC(=O)NC[C@]12CC[NH2+]C2 ZINC001158091464 779925781 /nfs/dbraw/zinc/92/57/81/779925781.db2.gz COZUOZFYBMALNE-GZMMTYOYSA-N 2 1 254.290 -2.377 20 0 CAADMP [NH3+][C@@H](Cc1c[nH]cn1)C(=O)N1CC(=O)NC[C@]12CC[NH2+]C2 ZINC001158091988 779925798 /nfs/dbraw/zinc/92/57/98/779925798.db2.gz LANIRYISEVHIIY-GXFFZTMASA-N 2 1 292.343 -2.030 20 0 CAADMP COC(=O)[C@@H]([NH3+])CCC(=O)N1CC(=O)NC[C@]12CC[NH2+]C2 ZINC001158091960 779925953 /nfs/dbraw/zinc/92/59/53/779925953.db2.gz KYCXZQTYHPVYIU-TVQRCGJNSA-N 2 1 298.343 -2.043 20 0 CAADMP N[C@H]1C[NH2+][C@H](C(=O)N2CCOC3(CC[NH2+]CC3)C2)C1 ZINC001158077371 779926510 /nfs/dbraw/zinc/92/65/10/779926510.db2.gz UMKKTFMDPIKAEI-MNOVXSKESA-N 2 1 268.361 -1.343 20 0 CAADMP O=C([C@@H]1COC[NH2+]1)N1CC(=O)NC[C@@]12CC[NH2+]C2 ZINC001158091465 779926553 /nfs/dbraw/zinc/92/65/53/779926553.db2.gz COZUOZFYBMALNE-KWQFWETISA-N 2 1 254.290 -2.377 20 0 CAADMP N[C@H]1C[NH2+][C@H](C(=O)N2CC(=O)NC[C@@]23CC[NH2+]C3)C1 ZINC001158100748 779927139 /nfs/dbraw/zinc/92/71/39/779927139.db2.gz BMWWLIGUSZJSRY-PTRXPTGYSA-N 2 1 267.333 -2.634 20 0 CAADMP O=C(C[NH2+]C1CC[NH2+]CC1)N1CCO[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001158168354 779928910 /nfs/dbraw/zinc/92/89/10/779928910.db2.gz VGBIRKYKOQNQEW-DGCLKSJQSA-N 3 1 282.388 -1.225 20 0 CAADMP O=C([C@@H]1COCC[NH2+]1)N1CCO[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001158180085 779930152 /nfs/dbraw/zinc/93/01/52/779930152.db2.gz SXPJMXHDZVWGMS-OUAUKWLOSA-N 2 1 255.318 -1.578 20 0 CAADMP N[C@H](CN1CCC([NH3+])CC1)C(=O)N1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001158215163 779931500 /nfs/dbraw/zinc/93/15/00/779931500.db2.gz JVCTXTWHYIJKRS-FRRDWIJNSA-N 2 1 281.404 -1.300 20 0 CAADMP O=C([C@@H]1COC[NH2+]1)N1Cc2ncnn2C2(CC[NH2+]CC2)C1 ZINC001158260761 779932714 /nfs/dbraw/zinc/93/27/14/779932714.db2.gz GLTROURFVXUPHC-JTQLQIEISA-N 2 1 292.343 -1.355 20 0 CAADMP CCOC(=O)c1nc2n(n1)CCN(C(=O)[C@@H]([NH3+])CC[NH3+])C2 ZINC001158429737 779934283 /nfs/dbraw/zinc/93/42/83/779934283.db2.gz ARGUFDDYQRVLDQ-QMMMGPOBSA-N 2 1 296.331 -1.527 20 0 CAADMP NC(=O)[C@@H](CO)Nc1nc(N2CCC([NH3+])CC2)cc[nH+]1 ZINC001158441924 779934712 /nfs/dbraw/zinc/93/47/12/779934712.db2.gz AOPJWNQTSWVUME-SECBINFHSA-N 2 1 280.332 -1.338 20 0 CAADMP NC(=O)C[NH2+]CCCNC(=O)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001158487006 779936516 /nfs/dbraw/zinc/93/65/16/779936516.db2.gz UYGNSHLCBTXQBE-GHMZBOCLSA-N 2 1 284.360 -1.569 20 0 CAADMP CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)[C@@H]1C[C@H](N)C[NH2+]1 ZINC001158498550 779936683 /nfs/dbraw/zinc/93/66/83/779936683.db2.gz PXXIFRPDSKFYHA-UHFZAUJKSA-N 2 1 296.371 -1.572 20 0 CAADMP [NH3+]CCCNCC(=O)N1CC[C@@]23C[NH2+]C[C@@H](C[C@@H]2C1)O3 ZINC001158546252 779936873 /nfs/dbraw/zinc/93/68/73/779936873.db2.gz IPPYYUSVOLMOLS-YRGRVCCFSA-N 2 1 282.388 -1.096 20 0 CAADMP [NH3+]CC[C@H]([NH3+])C(=O)N1CC[C@@]23C[NH2+]C[C@@H](C[C@@H]2C1)O3 ZINC001158533231 779936964 /nfs/dbraw/zinc/93/69/64/779936964.db2.gz IVJUWJKPVDOSBZ-HNCHTBHHSA-N 3 1 268.361 -1.358 20 0 CAADMP CNC(=O)C[NH2+]CCCNC(=O)[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001158485944 779937018 /nfs/dbraw/zinc/93/70/18/779937018.db2.gz BYPDSNIFEDXWER-NWDGAFQWSA-N 2 1 298.387 -1.309 20 0 CAADMP C[C@@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)[C@@H]1COC2(C[NH2+]C2)CN1 ZINC001158626420 779938081 /nfs/dbraw/zinc/93/80/81/779938081.db2.gz OBHMOXTWRHSAQE-TUAOUCFPSA-N 2 1 282.388 -1.132 20 0 CAADMP CNC(=O)[C@@H]1CCO[C@@H]2CCN(C(=O)[C@@H]([NH3+])CC[NH3+])C[C@H]21 ZINC001159109330 779943402 /nfs/dbraw/zinc/94/34/02/779943402.db2.gz QYHYMWXHQBQYSM-NOOOWODRSA-N 2 1 298.387 -1.338 20 0 CAADMP CN(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCN2C(=O)CNCC[NH3+] ZINC001159929682 779952308 /nfs/dbraw/zinc/95/23/08/779952308.db2.gz ISMFGJDESDCOEJ-QWHCGFSZSA-N 2 1 283.420 -1.229 20 0 CAADMP CN(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCN2C(=O)CNCC[NH3+] ZINC001159929682 779952312 /nfs/dbraw/zinc/95/23/12/779952312.db2.gz ISMFGJDESDCOEJ-QWHCGFSZSA-N 2 1 283.420 -1.229 20 0 CAADMP CN(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCN2C(=O)[C@@H]1C[NH2+]C[C@@H]1O ZINC001159930800 779952654 /nfs/dbraw/zinc/95/26/54/779952654.db2.gz XRKACXXDYSGSNY-RQJABVFESA-N 2 1 296.415 -1.197 20 0 CAADMP CN(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCN2C(=O)[C@@H]1C[NH2+]C[C@@H]1O ZINC001159930800 779952661 /nfs/dbraw/zinc/95/26/61/779952661.db2.gz XRKACXXDYSGSNY-RQJABVFESA-N 2 1 296.415 -1.197 20 0 CAADMP CN(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCN2C(=O)[C@@H]1C[NH2+]CCN1 ZINC001159929518 779953247 /nfs/dbraw/zinc/95/32/47/779953247.db2.gz GEQZGACRQMDHRK-MELADBBJSA-N 2 1 295.431 -1.215 20 0 CAADMP CN(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCN2C(=O)[C@@H]1C[NH2+]CCN1 ZINC001159929518 779953251 /nfs/dbraw/zinc/95/32/51/779953251.db2.gz GEQZGACRQMDHRK-MELADBBJSA-N 2 1 295.431 -1.215 20 0 CAADMP C[NH+](C)[C@H](Cn1cccn1)C(=O)NCCC[NH2+]CCO ZINC001159882870 779953406 /nfs/dbraw/zinc/95/34/06/779953406.db2.gz JTBJZWREXJNCCR-GFCCVEGCSA-N 2 1 283.376 -1.099 20 0 CAADMP CN(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCN2C(=O)C[C@@H](O)C[NH3+] ZINC001159930817 779953437 /nfs/dbraw/zinc/95/34/37/779953437.db2.gz XYARYMHQLVCCLJ-FRRDWIJNSA-N 2 1 284.404 -1.067 20 0 CAADMP CN(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCN2C(=O)C[C@@H](O)C[NH3+] ZINC001159930817 779953439 /nfs/dbraw/zinc/95/34/39/779953439.db2.gz XYARYMHQLVCCLJ-FRRDWIJNSA-N 2 1 284.404 -1.067 20 0 CAADMP CN(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCN2C(=O)[C@H]1C[NH2+]C[C@H]1O ZINC001159930798 779953523 /nfs/dbraw/zinc/95/35/23/779953523.db2.gz XRKACXXDYSGSNY-IGQOVBAYSA-N 2 1 296.415 -1.197 20 0 CAADMP CN(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCN2C(=O)[C@H]1C[NH2+]C[C@H]1O ZINC001159930798 779953528 /nfs/dbraw/zinc/95/35/28/779953528.db2.gz XRKACXXDYSGSNY-IGQOVBAYSA-N 2 1 296.415 -1.197 20 0 CAADMP CC(C)C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@@H]([NH3+])CC[NH3+])C[C@H]21 ZINC001160095270 779954736 /nfs/dbraw/zinc/95/47/36/779954736.db2.gz VIIOMPSMDBQRHN-ZRUFSTJUSA-N 2 1 268.361 -1.109 20 0 CAADMP O=C([C@@H]1C[NH2+]C[C@@H]1O)N1C[C@@H]2C[N@H+](CC3CC3)C[C@H](C1)O2 ZINC001160156473 779955946 /nfs/dbraw/zinc/95/59/46/779955946.db2.gz QBSRNNFHMFTARA-RQJABVFESA-N 2 1 295.383 -1.112 20 0 CAADMP O=C([C@H]1C[NH2+]C[C@H]1O)N1C[C@@H]2C[N@H+](CC3CC3)C[C@H](C1)O2 ZINC001160156470 779956269 /nfs/dbraw/zinc/95/62/69/779956269.db2.gz QBSRNNFHMFTARA-RFQIPJPRSA-N 2 1 295.383 -1.112 20 0 CAADMP N[C@]1(C(=O)N2C[C@@H]3C[N@H+](CC4CC4)C[C@H](C2)O3)CC[NH2+]C1 ZINC001160155213 779956406 /nfs/dbraw/zinc/95/64/06/779956406.db2.gz GPPMEDMUXFFJNF-VNHYZAJKSA-N 2 1 294.399 -1.001 20 0 CAADMP NC(=O)N1CCN(C(=O)C[NH2+]C2CC[NH2+]CC2)CC1 ZINC001160456603 779961546 /nfs/dbraw/zinc/96/15/46/779961546.db2.gz NOFLOYLZVIZENQ-UHFFFAOYSA-N 2 1 269.349 -1.449 20 0 CAADMP CN(C)C(=O)CN(C)C(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001160503703 779964109 /nfs/dbraw/zinc/96/41/09/779964109.db2.gz CIGPIFBTCZMAHN-LLVKDONJSA-N 2 1 285.392 -1.717 20 0 CAADMP N[C@@H](CN1CCC([NH3+])CC1)C(=O)N1CCC([NH3+])CC1 ZINC001160515486 779964320 /nfs/dbraw/zinc/96/43/20/779964320.db2.gz JPNIKTJVVJYRMT-LBPRGKRZSA-N 2 1 269.393 -1.314 20 0 CAADMP [NH3+]CC[C@H]([NH3+])C(=O)N1CC(N2CCNC(=O)C2)C1 ZINC001160636938 779970655 /nfs/dbraw/zinc/97/06/55/779970655.db2.gz LQNAGBCMVMYLDG-VIFPVBQESA-N 2 1 255.322 -2.695 20 0 CAADMP C[NH+](C)C1(C)CN(C(=O)[C@H](N)CN2CCC([NH3+])CC2)C1 ZINC001160644527 779972284 /nfs/dbraw/zinc/97/22/84/779972284.db2.gz FSLJKJINVLENFH-GFCCVEGCSA-N 2 1 283.420 -1.101 20 0 CAADMP [NH3+]C[C@H]1CN(C(=O)C[NH2+]C2CC[NH2+]CC2)CCO1 ZINC001160644079 779972304 /nfs/dbraw/zinc/97/23/04/779972304.db2.gz RRJADRYOTAPPPL-NSHDSACASA-N 3 1 256.350 -1.486 20 0 CAADMP N[C@@H]1C[C@]2(C(=O)N3CCO[C@@H](C[NH3+])C3)CC[C@H]1[NH2+]2 ZINC001160643793 779972475 /nfs/dbraw/zinc/97/24/75/779972475.db2.gz NKFZVRPZSYVGFT-XNDJQWLSSA-N 2 1 254.334 -1.606 20 0 CAADMP CS(=O)(=O)NC1CN(C(=O)[C@@H]([NH3+])CC[NH3+])C1 ZINC001160660250 779975779 /nfs/dbraw/zinc/97/57/79/779975779.db2.gz GXYNTJOPIITCOD-ZETCQYMHSA-N 2 1 250.324 -2.578 20 0 CAADMP C[N@@H+]1C[C@H]2CN(C(=O)[C@]34C[NH2+]C[C@H]3CCN4)C[C@H]2C1 ZINC001160704560 779977921 /nfs/dbraw/zinc/97/79/21/779977921.db2.gz LVRKWAWRKSLCKO-CZXHOFHRSA-N 2 1 264.373 -1.042 20 0 CAADMP NC(=O)[C@@H]1CN(C(=O)C[NH2+]C2CC[NH2+]CC2)CCO1 ZINC001160705618 779978171 /nfs/dbraw/zinc/97/81/71/779978171.db2.gz XVILGDSYKDAFHI-JTQLQIEISA-N 2 1 270.333 -1.959 20 0 CAADMP C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCCN3C(=O)C[NH3+])C[C@H]2C1 ZINC001160705350 779978346 /nfs/dbraw/zinc/97/83/46/779978346.db2.gz VZPXYEXNKSBMPL-TUAOUCFPSA-N 2 1 280.372 -1.044 20 0 CAADMP C[N@@H+]1C[C@H]2CN(C(=O)[C@@]34C[NH2+]C[C@H]3CCN4)C[C@H]2C1 ZINC001160704564 779978685 /nfs/dbraw/zinc/97/86/85/779978685.db2.gz LVRKWAWRKSLCKO-GFQSEFKGSA-N 2 1 264.373 -1.042 20 0 CAADMP [NH3+]CC[C@H]([NH3+])C(=O)N1CCC2(CC1)CC(=O)NC(=O)C2 ZINC001160715804 779978739 /nfs/dbraw/zinc/97/87/39/779978739.db2.gz MCRBRYHUCZKLGK-VIFPVBQESA-N 2 1 282.344 -1.292 20 0 CAADMP C[N@@H+]1C[C@H]2CN(C(=O)[C@H]3COC4(C[NH2+]C4)CN3)C[C@H]2C1 ZINC001160705398 779978968 /nfs/dbraw/zinc/97/89/68/779978968.db2.gz XLAWWHIALAQHBB-GRYCIOLGSA-N 2 1 280.372 -1.663 20 0 CAADMP CCNC(=O)CO[C@@H]1CCCN(C(=O)[C@@H]([NH3+])CC[NH3+])C1 ZINC001160746210 779980094 /nfs/dbraw/zinc/98/00/94/779980094.db2.gz CYONZWOEJRZIJU-MNOVXSKESA-N 2 1 286.376 -1.194 20 0 CAADMP O=C(C[NH2+]C1CC[NH2+]CC1)N1CCN2C(=O)COC[C@H]2C1 ZINC001160789819 779981526 /nfs/dbraw/zinc/98/15/26/779981526.db2.gz GZBQUAHTMFLJGM-GFCCVEGCSA-N 2 1 296.371 -1.602 20 0 CAADMP Nc1ccc[nH+]c1N1CCN(C(=O)[C@@H](N)C[NH3+])CC1 ZINC001160826000 779982503 /nfs/dbraw/zinc/98/25/03/779982503.db2.gz PELNBFIMPDIEPY-JTQLQIEISA-N 2 1 264.333 -1.402 20 0 CAADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCCC[NH2+][C@H]2CCNC2=O)O1 ZINC001160862371 779983709 /nfs/dbraw/zinc/98/37/09/779983709.db2.gz OSZREWKZKQIVHZ-GRYCIOLGSA-N 2 1 298.387 -1.310 20 0 CAADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCCC[NH2+][C@H]2CCNC2=O)O1 ZINC001160862371 779983716 /nfs/dbraw/zinc/98/37/16/779983716.db2.gz OSZREWKZKQIVHZ-GRYCIOLGSA-N 2 1 298.387 -1.310 20 0 CAADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCCC[NH2+]CCO)O1 ZINC001160858157 779983962 /nfs/dbraw/zinc/98/39/62/779983962.db2.gz YKVZSTDQFBMDPI-GHMZBOCLSA-N 2 1 259.350 -1.206 20 0 CAADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCCC[NH2+]CCO)O1 ZINC001160858157 779983966 /nfs/dbraw/zinc/98/39/66/779983966.db2.gz YKVZSTDQFBMDPI-GHMZBOCLSA-N 2 1 259.350 -1.206 20 0 CAADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCCC[NH2+][C@@H]2CCNC2=O)O1 ZINC001160862373 779984170 /nfs/dbraw/zinc/98/41/70/779984170.db2.gz OSZREWKZKQIVHZ-IJLUTSLNSA-N 2 1 298.387 -1.310 20 0 CAADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCCC[NH2+][C@@H]2CCNC2=O)O1 ZINC001160862373 779984172 /nfs/dbraw/zinc/98/41/72/779984172.db2.gz OSZREWKZKQIVHZ-IJLUTSLNSA-N 2 1 298.387 -1.310 20 0 CAADMP COC(=O)[C@@H]([NH3+])CCC(=O)N1CC(O)([C@H]2CCCC[NH2+]2)C1 ZINC001161001273 779989235 /nfs/dbraw/zinc/98/92/35/779989235.db2.gz XQZNVPUOGPEYLW-WDEREUQCSA-N 2 1 299.371 -1.018 20 0 CAADMP O=C([C@@H]1COCC[NH2+]1)N1CC(O)([C@H]2CCCC[NH2+]2)C1 ZINC001161009171 779989489 /nfs/dbraw/zinc/98/94/89/779989489.db2.gz TUPONPJYOROQPX-WDEREUQCSA-N 2 1 269.345 -1.310 20 0 CAADMP [NH3+]CC[C@H]([NH3+])C(=O)N1CC(O)([C@H]2CCCC[NH2+]2)C1 ZINC001160999491 779989521 /nfs/dbraw/zinc/98/95/21/779989521.db2.gz FVDPYCVXAYPTIS-VHSXEESVSA-N 3 1 256.350 -1.622 20 0 CAADMP [NH3+]CC[C@H]([NH3+])C(=O)N1CC(O)([C@@H]2CCCC[NH2+]2)C1 ZINC001160999490 779989529 /nfs/dbraw/zinc/98/95/29/779989529.db2.gz FVDPYCVXAYPTIS-UWVGGRQHSA-N 3 1 256.350 -1.622 20 0 CAADMP COC(=O)[C@@H]([NH3+])CCC(=O)N1CC(O)([C@@H]2CCCC[NH2+]2)C1 ZINC001161001271 779989610 /nfs/dbraw/zinc/98/96/10/779989610.db2.gz XQZNVPUOGPEYLW-QWRGUYRKSA-N 2 1 299.371 -1.018 20 0 CAADMP O=C1C[NH2+]CCN1CCNc1cc2c(nn1)CC[NH2+]C2 ZINC001161024152 779990150 /nfs/dbraw/zinc/99/01/50/779990150.db2.gz HDDNYCMUPMEEIO-UHFFFAOYSA-N 2 1 276.344 -1.034 20 0 CAADMP NC(=O)[C@@H]1CCCN1C(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001161035769 779991055 /nfs/dbraw/zinc/99/10/55/779991055.db2.gz ZVDGUIGWNGYEMX-MNOVXSKESA-N 2 1 283.376 -1.787 20 0 CAADMP O=C1C[NH2+]CCN1CCNc1ncc2c(n1)CC[NH2+]C2 ZINC001161018616 779991157 /nfs/dbraw/zinc/99/11/57/779991157.db2.gz ATDBZDGUBBYXCI-UHFFFAOYSA-N 2 1 276.344 -1.034 20 0 CAADMP O=C1C[NH2+]CCN1CCNc1ncnc2c1CC[NH2+]C2 ZINC001161019078 779991327 /nfs/dbraw/zinc/99/13/27/779991327.db2.gz KEVLHEQGRZCQTI-UHFFFAOYSA-N 2 1 276.344 -1.034 20 0 CAADMP C[N@H+]1CCCC[C@@H]1C(=O)NCCC[NH2+]CC(=O)NC(N)=O ZINC001161043182 779992186 /nfs/dbraw/zinc/99/21/86/779992186.db2.gz YRFLOFSEDGATFN-SNVBAGLBSA-N 2 1 299.375 -1.239 20 0 CAADMP C[N@H+]1CCCC[C@H]1C(=O)NCCC[NH2+]CC(=O)NC(N)=O ZINC001161043179 779993006 /nfs/dbraw/zinc/99/30/06/779993006.db2.gz YRFLOFSEDGATFN-JTQLQIEISA-N 2 1 299.375 -1.239 20 0 CAADMP [NH3+]CC[C@H]([NH3+])C(=O)N1CCC2(CNC(=O)N2)CC1 ZINC001161083234 779994228 /nfs/dbraw/zinc/99/42/28/779994228.db2.gz ROPOFJLMNDXVKL-QMMMGPOBSA-N 2 1 255.322 -1.664 20 0 CAADMP CCOC(=O)[C@H]1COCCN1C(=O)[C@@H]([NH3+])CC[NH3+] ZINC001161092951 779994769 /nfs/dbraw/zinc/99/47/69/779994769.db2.gz GOHMTGSRTGLFRE-DTWKUNHWSA-N 2 1 259.306 -1.547 20 0 CAADMP COC(=O)[C@@]1(N)CCN(C(=O)C[NH2+]C2CC[NH2+]CC2)C1 ZINC001161137520 779997014 /nfs/dbraw/zinc/99/70/14/779997014.db2.gz FSFBCEPHTAUBTP-CYBMUJFWSA-N 2 1 284.360 -1.569 20 0 CAADMP CCOC(=O)CN(CCC[NH3+])C(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H](N)C2 ZINC001161158388 780000550 /nfs/dbraw/zinc/00/05/50/780000550.db2.gz UKPATMOHWPXKRG-GYSYKLTISA-N 2 1 298.387 -1.051 20 0 CAADMP CCOC(=O)CN(CCC[NH3+])C(=O)[C@@H]1COCC[NH2+]1 ZINC001161157350 780000663 /nfs/dbraw/zinc/00/06/63/780000663.db2.gz BPVCEKNSHFKIDT-JTQLQIEISA-N 2 1 273.333 -1.285 20 0 CAADMP C[C@H]1CN(C(=O)[C@@H](N)CN2CCC([NH3+])CC2)C[C@H](C)[NH2+]1 ZINC001161231627 780003946 /nfs/dbraw/zinc/00/39/46/780003946.db2.gz MDFIIPDMUAUOHN-GVXVVHGQSA-N 2 1 283.420 -1.054 20 0 CAADMP C[C@H]1CN(C(=O)[C@H](N)CN2CCC([NH3+])CC2)C[C@H](C)[NH2+]1 ZINC001161231626 780004438 /nfs/dbraw/zinc/00/44/38/780004438.db2.gz MDFIIPDMUAUOHN-GMXVVIOVSA-N 2 1 283.420 -1.054 20 0 CAADMP N[C@H](CN1CCC([NH3+])CC1)C(=O)N1CC[C@@](F)(C[NH3+])C1 ZINC001161245352 780005576 /nfs/dbraw/zinc/00/55/76/780005576.db2.gz CVNVCDYMSATIIW-DGCLKSJQSA-N 2 1 287.383 -1.364 20 0 CAADMP [NH3+]CC[C@H]([NH3+])C(=O)N1CCN(c2ncncn2)CC1 ZINC001161247883 780005798 /nfs/dbraw/zinc/00/57/98/780005798.db2.gz MCZUHPBXDSUCGK-VIFPVBQESA-N 2 1 265.321 -1.804 20 0 CAADMP [NH3+]CC[C@H]([NH3+])C(=O)N1CCC2(CCC(=O)N2)CC1 ZINC001161297294 780007434 /nfs/dbraw/zinc/00/74/34/780007434.db2.gz VLLCSLKZPMYWNU-VIFPVBQESA-N 2 1 254.334 -1.066 20 0 CAADMP N[C@@H](CC[NH3+])C(=O)N1CC[C@H]([NH+]2CCC([NH3+])CC2)C1 ZINC001161377590 780008407 /nfs/dbraw/zinc/00/84/07/780008407.db2.gz IAWXOTLCXPEBNP-RYUDHWBXSA-N 3 1 269.393 -1.314 20 0 CAADMP [NH3+]C1CCN([C@@H]2CCN(C(=O)[C@@H]3COC[NH2+]3)C2)CC1 ZINC001161378306 780009352 /nfs/dbraw/zinc/00/93/52/780009352.db2.gz LYPIOZFESTVXQM-NEPJUHHUSA-N 2 1 268.361 -1.044 20 0 CAADMP [NH3+]C[C@@H](O)CC(=O)N1CC[C@@H]([NH+]2CCC([NH3+])CC2)C1 ZINC001161381271 780009438 /nfs/dbraw/zinc/00/94/38/780009438.db2.gz WZVIPNYGLRJCFA-NEPJUHHUSA-N 3 1 270.377 -1.280 20 0 CAADMP [NH3+]C1CC[NH+]([C@@H]2CCN(C(=O)[C@H]3C[NH2+]C[C@@H]3O)C2)CC1 ZINC001161381742 780009477 /nfs/dbraw/zinc/00/94/77/780009477.db2.gz ZKZUYPXVHTVFKL-AGIUHOORSA-N 3 1 282.388 -1.409 20 0 CAADMP [NH3+]C1CC[NH+]([C@@H]2CCN(C(=O)[C@@H]3CNC(=O)N3)C2)CC1 ZINC001161376529 780009726 /nfs/dbraw/zinc/00/97/26/780009726.db2.gz AHBOUSHHFDTNIA-MNOVXSKESA-N 2 1 281.360 -1.308 20 0 CAADMP N[C@@H](C[NH3+])C(=O)N1CC[C@@H]([NH+]2CCC([NH3+])CC2)C1 ZINC001161376791 780009944 /nfs/dbraw/zinc/00/99/44/780009944.db2.gz DFXGCEFPSUARCH-MNOVXSKESA-N 3 1 255.366 -1.704 20 0 CAADMP N[C@H]1C[NH2+][C@H](C(=O)N2CCO[C@@H](C[NH+]3CCCC3)C2)C1 ZINC001161387135 780010249 /nfs/dbraw/zinc/01/02/49/780010249.db2.gz AJLPGPHNSGLRPS-AGIUHOORSA-N 2 1 282.388 -1.001 20 0 CAADMP [NH3+]C1CC[NH+]([C@@H]2CCN(C(=O)[C@@H]3COCCN3)C2)CC1 ZINC001161380340 780010412 /nfs/dbraw/zinc/01/04/12/780010412.db2.gz USPOXUVTAPRCCS-OLZOCXBDSA-N 2 1 282.388 -1.001 20 0 CAADMP [NH3+]C1CCN([C@@H]2CCN(C(=O)[C@@H]3COCC[NH2+]3)C2)CC1 ZINC001161380340 780010414 /nfs/dbraw/zinc/01/04/14/780010414.db2.gz USPOXUVTAPRCCS-OLZOCXBDSA-N 2 1 282.388 -1.001 20 0 CAADMP N[C@H]1C[NH2+]C[C@@H]1C(=O)N1CC[C@@H]([NH+]2CCC([NH3+])CC2)C1 ZINC001161379424 780010434 /nfs/dbraw/zinc/01/04/34/780010434.db2.gz PAEIZWDNUHROKB-AGIUHOORSA-N 3 1 281.404 -1.443 20 0 CAADMP N[C@H]1C[NH2+][C@H](C(=O)N2CCO[C@H](C[NH+]3CCCC3)C2)C1 ZINC001161387136 780010609 /nfs/dbraw/zinc/01/06/09/780010609.db2.gz AJLPGPHNSGLRPS-UPJWGTAASA-N 2 1 282.388 -1.001 20 0 CAADMP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)N1CCNC1 ZINC001161418541 780011374 /nfs/dbraw/zinc/01/13/74/780011374.db2.gz FKWSMIPMRFRNGE-RYUDHWBXSA-N 2 1 297.403 -1.177 20 0 CAADMP O=C([C@@H]1COC2(C[NH2+]C2)CN1)N1CC[N@H+]2CC[C@H]2C1 ZINC001161422112 780012520 /nfs/dbraw/zinc/01/25/20/780012520.db2.gz ZYSBFHDDBCFGDL-QWRGUYRKSA-N 2 1 266.345 -1.767 20 0 CAADMP O=C([C@H]1C[NH2+]CC12C[NH2+]C2)N1CC[N@H+]2CC[C@H]2C1 ZINC001161420617 780012579 /nfs/dbraw/zinc/01/25/79/780012579.db2.gz IVKQRTHITLGOSW-WDEREUQCSA-N 3 1 250.346 -1.288 20 0 CAADMP O=C([C@H]1C[NH2+]CC12C[NH2+]C2)N1CCN2CC[C@H]2C1 ZINC001161420617 780012586 /nfs/dbraw/zinc/01/25/86/780012586.db2.gz IVKQRTHITLGOSW-WDEREUQCSA-N 2 1 250.346 -1.288 20 0 CAADMP C[NH+](C)CCN(C(=O)[C@@H]1C[C@H](N)C[NH2+]1)[C@H]1CCC[NH2+]C1 ZINC001161448515 780013338 /nfs/dbraw/zinc/01/33/38/780013338.db2.gz DMFVNBXFIIJJSB-AVGNSLFASA-N 3 1 283.420 -1.182 20 0 CAADMP CS(=O)(=O)N(CC[NH3+])CC(=O)N1CC[N@H+]2CC[C@@H]2C1 ZINC001161423692 780013364 /nfs/dbraw/zinc/01/33/64/780013364.db2.gz KDFHQXXUKWUZMZ-SNVBAGLBSA-N 2 1 290.389 -1.877 20 0 CAADMP C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N1CC[N@H+]2CC[C@H]2C1 ZINC001161423792 780014274 /nfs/dbraw/zinc/01/42/74/780014274.db2.gz OBNDMFPYIRVAPK-GUBZILKMSA-N 2 1 270.333 -2.273 20 0 CAADMP COC(=O)[C@]12CC[NH2+][C@H]1CN(C(=O)CNCCC[NH3+])CC2 ZINC001161476595 780015050 /nfs/dbraw/zinc/01/50/50/780015050.db2.gz BIVPLVOIMCEFJT-FZMZJTMJSA-N 2 1 298.387 -1.322 20 0 CAADMP COC(=O)[C@@]12CC[NH2+][C@H]1CN(C(=O)[C@@H]([NH3+])CC[NH3+])CC2 ZINC001161477369 780015145 /nfs/dbraw/zinc/01/51/45/780015145.db2.gz HKBZZGLMZZHLKG-OUJBWJOFSA-N 3 1 284.360 -1.584 20 0 CAADMP COC(=O)[C@]12CC[NH2+][C@H]1CN(C(=O)[C@@H]1C[C@H](N)C[NH2+]1)CC2 ZINC001161476455 780015257 /nfs/dbraw/zinc/01/52/57/780015257.db2.gz AXJFYPHJGCYICU-RMIALFOJSA-N 2 1 296.371 -1.571 20 0 CAADMP COC(=O)[C@@]12CC[NH2+][C@H]1CN(C(=O)CNCCC[NH3+])CC2 ZINC001161476598 780015392 /nfs/dbraw/zinc/01/53/92/780015392.db2.gz BIVPLVOIMCEFJT-SMDDNHRTSA-N 2 1 298.387 -1.322 20 0 CAADMP COC(=O)[C@@]12CC[NH2+][C@@H]1CN(C(=O)[C@@H]1C[C@H](N)C[NH2+]1)CC2 ZINC001161476454 780015941 /nfs/dbraw/zinc/01/59/41/780015941.db2.gz AXJFYPHJGCYICU-KZWBYHQPSA-N 2 1 296.371 -1.571 20 0 CAADMP COC(=O)[C@@]12CC[NH2+][C@H]1CN(C(=O)[C@@H]1COC[NH2+]1)CC2 ZINC001161480436 780016106 /nfs/dbraw/zinc/01/61/06/780016106.db2.gz TYNPDWXZGLYCHL-OUJBWJOFSA-N 2 1 283.328 -1.314 20 0 CAADMP C[N@@H+](C1CN(C(=O)[C@]23C[NH2+]C[C@H]2CCN3)C1)[C@H]1CCOC1 ZINC001161498555 780016492 /nfs/dbraw/zinc/01/64/92/780016492.db2.gz JVOGMKVOZXEHLQ-XUJVJEKNSA-N 2 1 294.399 -1.131 20 0 CAADMP C[N@@H+](C1CN(C(=O)[C@@]2(N)CCC[NH2+]C2)C1)[C@H]1CCOC1 ZINC001161497831 780016793 /nfs/dbraw/zinc/01/67/93/780016793.db2.gz GERXNEVNPOZGGN-SMDDNHRTSA-N 2 1 282.388 -1.001 20 0 CAADMP CO[C@@H]1CN(C(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H](N)C3)C[C@@H]1[NH3+] ZINC001161492684 780016864 /nfs/dbraw/zinc/01/68/64/780016864.db2.gz VDFXOMFLLUIDQN-KNDBQHFLSA-N 2 1 254.334 -1.607 20 0 CAADMP C[N@@H+](C1CN(C(=O)[C@@]23C[NH2+]C[C@H]2CCN3)C1)[C@H]1CCOC1 ZINC001161498551 780016931 /nfs/dbraw/zinc/01/69/31/780016931.db2.gz JVOGMKVOZXEHLQ-TYNCELHUSA-N 2 1 294.399 -1.131 20 0 CAADMP CO[C@@H]1CN(C(=O)[C@H]([NH3+])Cc2c[nH]cn2)C[C@@H]1[NH3+] ZINC001161491844 780017119 /nfs/dbraw/zinc/01/71/19/780017119.db2.gz JAYLOUCPYBTXSP-KXUCPTDWSA-N 2 1 253.306 -1.536 20 0 CAADMP C[N@@H+](C1CN(C(=O)[C@H]2C[C@@H](O)C[NH2+]2)C1)[C@H]1CCOC1 ZINC001161497745 780017206 /nfs/dbraw/zinc/01/72/06/780017206.db2.gz CNWQKQUEMAYLAV-MVWJERBFSA-N 2 1 269.345 -1.359 20 0 CAADMP C[N@@H+](C1CN(C(=O)[C@@]23C[NH2+]C[C@@H]2CCN3)C1)[C@H]1CCOC1 ZINC001161498547 780017707 /nfs/dbraw/zinc/01/77/07/780017707.db2.gz JVOGMKVOZXEHLQ-SLEUVZQESA-N 2 1 294.399 -1.131 20 0 CAADMP C[N@@H+](C1CN(C(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)C1)[C@H]1CCOC1 ZINC001161498720 780018333 /nfs/dbraw/zinc/01/83/33/780018333.db2.gz LJLFHCOTVMKMLK-WCQYABFASA-N 3 1 294.399 -1.273 20 0 CAADMP CN(C1CN(C(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)C1)[C@H]1CCOC1 ZINC001161498720 780018342 /nfs/dbraw/zinc/01/83/42/780018342.db2.gz LJLFHCOTVMKMLK-WCQYABFASA-N 2 1 294.399 -1.273 20 0 CAADMP N[C@@H]1C[C@]2(C(=O)N3C[C@@H]([NH3+])C4(COC4)C3)CC[C@H]1[NH2+]2 ZINC001161507769 780018370 /nfs/dbraw/zinc/01/83/70/780018370.db2.gz AHEKXPPODNMDFQ-PRFIWBCESA-N 2 1 266.345 -1.606 20 0 CAADMP [NH3+][C@H](Cc1c[nH]cn1)C(=O)N1C[C@@H]([NH3+])C2(COC2)C1 ZINC001161499788 780018564 /nfs/dbraw/zinc/01/85/64/780018564.db2.gz IIHGDHSTJNASPE-NXEZZACHSA-N 2 1 265.317 -1.534 20 0 CAADMP N[C@@H](CN1CCC([NH3+])CC1)C(=O)N1C[C@H]([NH3+])C2(COC2)C1 ZINC001161508942 780018779 /nfs/dbraw/zinc/01/87/79/780018779.db2.gz HBUXTBGRKBDDME-RYUDHWBXSA-N 2 1 297.403 -2.077 20 0 CAADMP C[C@H]1CN(C2CN(C(=O)[C@@H]([NH3+])CC[NH3+])C2)C[C@H](C)O1 ZINC001161498724 780019018 /nfs/dbraw/zinc/01/90/18/780019018.db2.gz LJMGADCHFAQLLJ-NHCYSSNCSA-N 2 1 270.377 -1.018 20 0 CAADMP C[N@@H+](C1CN(C(=O)[C@@H](N)CC[NH3+])C1)[C@H]1CCOC1 ZINC001161499986 780019154 /nfs/dbraw/zinc/01/91/54/780019154.db2.gz RAGUHVJGNCJOTM-ONGXEEELSA-N 2 1 256.350 -1.406 20 0 CAADMP C[N@@H+](C1CN(C(=O)[C@]2(N)CC[NH2+]C2)C1)[C@H]1CCOC1 ZINC001161498689 780019928 /nfs/dbraw/zinc/01/99/28/780019928.db2.gz LDQKZXDFIMUBBU-GWCFXTLKSA-N 2 1 268.361 -1.391 20 0 CAADMP O=C([C@H]1CCS(=O)(=O)C12C[NH2+]C2)N1CC[NH2+]C2(CC2)C1 ZINC001161545344 780020702 /nfs/dbraw/zinc/02/07/02/780020702.db2.gz ROEKZHSLIAZAOY-SNVBAGLBSA-N 2 1 299.396 -1.273 20 0 CAADMP O=C([C@@H]1CCS(=O)(=O)C12C[NH2+]C2)N1CC[NH2+]C2(CC2)C1 ZINC001161545343 780020764 /nfs/dbraw/zinc/02/07/64/780020764.db2.gz ROEKZHSLIAZAOY-JTQLQIEISA-N 2 1 299.396 -1.273 20 0 CAADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)[C@H]1C[NH2+]CCO1 ZINC000250358520 780028925 /nfs/dbraw/zinc/02/89/25/780028925.db2.gz AZSAAYLHCSZFET-GHMZBOCLSA-N 2 1 256.350 -1.663 20 0 CAADMP [NH3+][C@@H]1NCN(c2ncc3c(n2)CC[NH2+]C3)[C@@H]2NCN[C@@H]21 ZINC001162437570 780037144 /nfs/dbraw/zinc/03/71/44/780037144.db2.gz VEJVESQUSFNLSD-MXWKQRLJSA-N 2 1 276.348 -2.381 20 0 CAADMP [NH3+][C@@H]1NCN(c2ncnc3c2CC[NH2+]C3)[C@H]2NCN[C@H]21 ZINC001162437785 780037567 /nfs/dbraw/zinc/03/75/67/780037567.db2.gz VPDTYCHVGOJJSA-HOSYDEDBSA-N 2 1 276.348 -2.381 20 0 CAADMP [NH3+]Cc1cc(N2CN[C@H]([NH3+])[C@@H]3NCN[C@H]32)ncn1 ZINC001162440752 780045290 /nfs/dbraw/zinc/04/52/90/780045290.db2.gz UWSOETABPFWWJN-GUBZILKMSA-N 2 1 250.310 -2.568 20 0 CAADMP Cc1cnc(N2CN[C@H]([NH3+])[C@H]3NCN[C@H]32)nc1C1C[NH2+]C1 ZINC001162442880 780046190 /nfs/dbraw/zinc/04/61/90/780046190.db2.gz DTLOLBFLLAFLIX-WOPDTQHZSA-N 2 1 290.375 -2.031 20 0 CAADMP Cc1cnc(N2CN[C@H]([NH3+])[C@@H]3NCN[C@H]32)nc1C1C[NH2+]C1 ZINC001162442879 780047106 /nfs/dbraw/zinc/04/71/06/780047106.db2.gz DTLOLBFLLAFLIX-SRVKXCTJSA-N 2 1 290.375 -2.031 20 0 CAADMP Cc1cnc(N2CN[C@H]([NH3+])[C@H]3NCN[C@@H]32)nc1C1C[NH2+]C1 ZINC001162442876 780047137 /nfs/dbraw/zinc/04/71/37/780047137.db2.gz DTLOLBFLLAFLIX-GRYCIOLGSA-N 2 1 290.375 -2.031 20 0 CAADMP [NH3+][C@@H]1NCN(c2cc(C3C[NH2+]C3)ncn2)[C@@H]2NCN[C@H]21 ZINC001162445015 780047696 /nfs/dbraw/zinc/04/76/96/780047696.db2.gz RTJLISUQHMZANY-TUAOUCFPSA-N 2 1 276.348 -2.340 20 0 CAADMP Cc1cnc(N2CN[C@H]([NH3+])[C@@H]3NCN[C@@H]32)c(C[NH3+])c1 ZINC001162445006 780048389 /nfs/dbraw/zinc/04/83/89/780048389.db2.gz DMDKCYHIUMRBRG-JBLDHEPKSA-N 2 1 263.349 -1.654 20 0 CAADMP O=C(NCCC[NH2+]CCO)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001162872214 780052634 /nfs/dbraw/zinc/05/26/34/780052634.db2.gz KNPLAQUXLNVERH-MBHSVXNSSA-N 2 1 283.372 -1.062 20 0 CAADMP NC(=O)C[NH2+]CCCNC(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001162872371 780053310 /nfs/dbraw/zinc/05/33/10/780053310.db2.gz PWYNHSLWPJRIEG-CVZZAPKMSA-N 2 1 296.371 -1.569 20 0 CAADMP CC(C)[N@H+]1CCO[C@H](C(=O)NCCC[NH2+]CC(N)=O)C1 ZINC001164538373 780074877 /nfs/dbraw/zinc/07/48/77/780074877.db2.gz FRVDCRJZPHNUDO-NSHDSACASA-N 2 1 286.376 -1.323 20 0 CAADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCCC[NH2+]CC(=O)NC(N)=O ZINC001166694927 780092604 /nfs/dbraw/zinc/09/26/04/780092604.db2.gz YUWHJLOHORJRAB-NXEZZACHSA-N 2 1 299.375 -1.525 20 0 CAADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCCC[NH2+]CC(N)=O ZINC001166707741 780093034 /nfs/dbraw/zinc/09/30/34/780093034.db2.gz ISGBPCDALUJREM-ZJUUUORDSA-N 2 1 256.350 -1.235 20 0 CAADMP NC(=O)[C@@H]1CN(c2ncc3c(n2)CC[NH2+]C3)CC[NH2+]1 ZINC001166723719 780093886 /nfs/dbraw/zinc/09/38/86/780093886.db2.gz JFFIAUVOOYPKER-JTQLQIEISA-N 2 1 262.317 -1.614 20 0 CAADMP NC(=O)[C@@H]1CN(c2ccc(N3CC[NH2+]CC3)cn2)CC[NH2+]1 ZINC001166724592 780094786 /nfs/dbraw/zinc/09/47/86/780094786.db2.gz RFLNVRTZGILASL-LBPRGKRZSA-N 2 1 290.371 -1.245 20 0 CAADMP Cc1cnc(N2CC[NH2+][C@@H](C(N)=O)C2)nc1C1C[NH2+]C1 ZINC001166725375 780095747 /nfs/dbraw/zinc/09/57/47/780095747.db2.gz HPUNBQJXBJJJCD-SNVBAGLBSA-N 2 1 276.344 -1.265 20 0 CAADMP [NH3+][C@@H]1CCN(Cc2cn3c(n2)C[NH2+]CC3)C[C@H]1O ZINC001205953266 780107516 /nfs/dbraw/zinc/10/75/16/780107516.db2.gz QVKZNALDJKHMRM-GHMZBOCLSA-N 2 1 251.334 -1.120 20 0 CAADMP Cc1[nH]c(=O)[nH]c(=O)c1C[N@H+]1C[C@@H](O)[C@@H](C[NH3+])C1 ZINC001206469051 780110388 /nfs/dbraw/zinc/11/03/88/780110388.db2.gz NISJBXQCWIPBEO-IONNQARKSA-N 2 1 254.290 -1.052 20 0 CAADMP [NH3+]C[C@H]1CN(Cc2cnc3n2CC[NH2+]C3)C[C@H]1O ZINC001206491867 780110407 /nfs/dbraw/zinc/11/04/07/780110407.db2.gz ODYPZJIKQMIGCL-GXSJLCMTSA-N 2 1 251.334 -1.262 20 0 CAADMP CNC(=O)C[NH2+][C@@H]1CCCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001207734836 780119902 /nfs/dbraw/zinc/11/99/02/780119902.db2.gz OYLCKLODJQWRPE-VXGBXAGGSA-N 2 1 298.387 -1.356 20 0 CAADMP CNC(=O)C[NH2+][C@@H]1CCCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001207734836 780119905 /nfs/dbraw/zinc/11/99/05/780119905.db2.gz OYLCKLODJQWRPE-VXGBXAGGSA-N 2 1 298.387 -1.356 20 0 CAADMP CNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1C ZINC001214386837 780151575 /nfs/dbraw/zinc/15/15/75/780151575.db2.gz NPFPSQKRISDBKO-UTUOFQBUSA-N 2 1 298.387 -1.501 20 0 CAADMP CNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1C ZINC001214386837 780151582 /nfs/dbraw/zinc/15/15/82/780151582.db2.gz NPFPSQKRISDBKO-UTUOFQBUSA-N 2 1 298.387 -1.501 20 0 CAADMP NC(=O)c1[nH]ncc1NC(=O)[C@H]([NH3+])C1CC[NH2+]CC1 ZINC001218564604 780170992 /nfs/dbraw/zinc/17/09/92/780170992.db2.gz KWYHAVOFSBDYJX-MRVPVSSYSA-N 2 1 266.305 -1.226 20 0 CAADMP C[NH+]1CCN(c2cc(NC(=O)[C@@H](N)C[NH3+])ncn2)CC1 ZINC001218573571 780171591 /nfs/dbraw/zinc/17/15/91/780171591.db2.gz YVRKJXAYFBPWPV-VIFPVBQESA-N 2 1 279.348 -1.547 20 0 CAADMP Nc1c(NC(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)c(=O)c1=O ZINC001218588746 780173437 /nfs/dbraw/zinc/17/34/37/780173437.db2.gz ZZDYWJBLUYCFKT-SSDOTTSWSA-N 2 1 281.316 -2.446 20 0 CAADMP C[NH+]1CCN(c2ncc(NC(=O)[C@@H](N)C[NH3+])cn2)CC1 ZINC001218580578 780173538 /nfs/dbraw/zinc/17/35/38/780173538.db2.gz SCBJJOHCQDWXCB-JTQLQIEISA-N 2 1 279.348 -1.547 20 0 CAADMP C[NH+]1CCN(c2ncc(NC(=O)[C@@H](N)CC[NH3+])cn2)CC1 ZINC001218580703 780173769 /nfs/dbraw/zinc/17/37/69/780173769.db2.gz VYGSNNOJYYJZHX-NSHDSACASA-N 2 1 293.375 -1.157 20 0 CAADMP C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)n1ccc(=[NH2+])c(N)c1 ZINC001218693994 780181362 /nfs/dbraw/zinc/18/13/62/780181362.db2.gz QDKFZPCCEICGOR-RCOVLWMOSA-N 2 1 267.289 -1.986 20 0 CAADMP O=C(C[NH2+]C1CC[NH2+]CC1)NCCn1ccnn1 ZINC001219566171 780232308 /nfs/dbraw/zinc/23/23/08/780232308.db2.gz XGJJVQJBKPQNBK-UHFFFAOYSA-N 2 1 252.322 -1.264 20 0 CAADMP [NH3+][C@H](Cc1c[nH]cn1)C(=O)NC[C@]1(O)CC[NH2+]C[C@@H]1F ZINC001219616062 780238876 /nfs/dbraw/zinc/23/88/76/780238876.db2.gz NOCHTBQDMVGURN-JFGNBEQYSA-N 2 1 285.323 -1.542 20 0 CAADMP C[N@@H+]1CCO[C@@H](C(=O)NC[C@]2(O)CC[NH2+]C[C@@H]2F)C1 ZINC001219617070 780240056 /nfs/dbraw/zinc/24/00/56/780240056.db2.gz HNXVUVSJYWAKEF-JFGNBEQYSA-N 2 1 275.324 -1.504 20 0 CAADMP C[N@H+]1CCO[C@@H](C(=O)NC[C@]2(O)CC[NH2+]C[C@@H]2F)C1 ZINC001219617070 780240060 /nfs/dbraw/zinc/24/00/60/780240060.db2.gz HNXVUVSJYWAKEF-JFGNBEQYSA-N 2 1 275.324 -1.504 20 0 CAADMP C[N@@H+]1CCO[C@H](C(=O)NC[C@]2(O)CC[NH2+]C[C@@H]2F)C1 ZINC001219617069 780240321 /nfs/dbraw/zinc/24/03/21/780240321.db2.gz HNXVUVSJYWAKEF-JBLDHEPKSA-N 2 1 275.324 -1.504 20 0 CAADMP C[N@H+]1CCO[C@H](C(=O)NC[C@]2(O)CC[NH2+]C[C@@H]2F)C1 ZINC001219617069 780240327 /nfs/dbraw/zinc/24/03/27/780240327.db2.gz HNXVUVSJYWAKEF-JBLDHEPKSA-N 2 1 275.324 -1.504 20 0 CAADMP O=C(NC[C@]1(O)CC[NH2+]C[C@@H]1F)[C@@H]1C[NH2+]Cc2ccnn21 ZINC001219616376 780240544 /nfs/dbraw/zinc/24/05/44/780240544.db2.gz ZIPCMRMFDVONOZ-GMXVVIOVSA-N 2 1 297.334 -1.294 20 0 CAADMP O=C(C[N@H+]1CC[C@@H](O)C1)NC[C@]1(O)CC[NH2+]C[C@@H]1F ZINC001219622515 780241360 /nfs/dbraw/zinc/24/13/60/780241360.db2.gz WLQDMQIFNUYUJJ-JFGNBEQYSA-N 2 1 275.324 -1.768 20 0 CAADMP O=C(C[N@@H+]1CC[C@@H](O)C1)NC[C@]1(O)CC[NH2+]C[C@@H]1F ZINC001219622515 780241367 /nfs/dbraw/zinc/24/13/67/780241367.db2.gz WLQDMQIFNUYUJJ-JFGNBEQYSA-N 2 1 275.324 -1.768 20 0 CAADMP CN1CC[N@@H+](C)C[C@H]1C(=O)NC[C@]1(O)CC[NH2+]C[C@@H]1F ZINC001219622679 780241938 /nfs/dbraw/zinc/24/19/38/780241938.db2.gz YTRGNKGAEYWHKS-GMXVVIOVSA-N 2 1 288.367 -1.589 20 0 CAADMP N[C@H](CN1CCC([NH3+])CC1)C(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC001219638585 780245446 /nfs/dbraw/zinc/24/54/46/780245446.db2.gz NLTXATWSZYJADW-ZMLRMANQSA-N 2 1 287.383 -1.447 20 0 CAADMP [NH3+][C@H]1CC[C@@H]1C(=O)NCCS(=O)(=O)N1CC[NH2+]CC1 ZINC001219678280 780247583 /nfs/dbraw/zinc/24/75/83/780247583.db2.gz JJBCIJDZUPRPHL-UWVGGRQHSA-N 2 1 290.389 -1.925 20 0 CAADMP C[C@@H]1C[C@@H](CNC(=O)[C@@H](N)CN2CCC([NH3+])CC2)C[NH2+]1 ZINC001219684775 780248061 /nfs/dbraw/zinc/24/80/61/780248061.db2.gz RXAJVHJEARJKCB-WZRBSPASSA-N 2 1 283.420 -1.149 20 0 CAADMP NC(=O)C1(NC(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)CC1 ZINC001219681935 780248366 /nfs/dbraw/zinc/24/83/66/780248366.db2.gz FOTGZQVCQYTYFO-SECBINFHSA-N 2 1 269.349 -2.129 20 0 CAADMP N[C@H](CN1CCC([NH3+])CC1)C(=O)NCCC1(O)C[NH2+]C1 ZINC001219697032 780250033 /nfs/dbraw/zinc/25/00/33/780250033.db2.gz PAOQXEZAMNOBNW-LLVKDONJSA-N 2 1 285.392 -2.423 20 0 CAADMP COC(=O)[C@@H]([NH3+])CCC(=O)NCCC1(O)C[NH2+]C1 ZINC001219697039 780250543 /nfs/dbraw/zinc/25/05/43/780250543.db2.gz PEKLTICKXQDQDB-QMMMGPOBSA-N 2 1 259.306 -1.893 20 0 CAADMP N[C@@H](CN1CCC([NH3+])CC1)C(=O)N[C@@H]1C[NH2+]C[C@H]1O ZINC001219714759 780252586 /nfs/dbraw/zinc/25/25/86/780252586.db2.gz XHTNTYYSZLSQHK-HBNTYKKESA-N 2 1 271.365 -2.814 20 0 CAADMP O=C(NC[C@H]1CC2(C[NH2+]C2)CO1)[C@@H]1COCC[NH2+]1 ZINC001219736534 780253746 /nfs/dbraw/zinc/25/37/46/780253746.db2.gz DITZWNPOBRCYIG-ZJUUUORDSA-N 2 1 255.318 -1.531 20 0 CAADMP [NH3+]CCCC[C@H]([NH3+])C(=O)NCc1nnc2n1CCCNC2 ZINC001219750259 780256752 /nfs/dbraw/zinc/25/67/52/780256752.db2.gz ZHNXTDTWRWKWJN-JTQLQIEISA-N 2 1 295.391 -1.156 20 0 CAADMP O=C(NC[C@H]1C[C@H]2CNCC[N@H+]2C1)[C@H]1C[C@@H](O)C[NH2+]1 ZINC001219764604 780258109 /nfs/dbraw/zinc/25/81/09/780258109.db2.gz ITDVHIVDRQEPTH-WRWGMCAJSA-N 2 1 268.361 -1.881 20 0 CAADMP O=C(NC[C@H]1C[C@H]2C[NH2+]CCN2C1)[C@H]1C[C@@H](O)C[NH2+]1 ZINC001219764604 780258112 /nfs/dbraw/zinc/25/81/12/780258112.db2.gz ITDVHIVDRQEPTH-WRWGMCAJSA-N 2 1 268.361 -1.881 20 0 CAADMP NC1(C(=O)NC[C@H]2C[C@H]3CNCC[N@H+]3C2)CC[NH2+]CC1 ZINC001219765082 780258199 /nfs/dbraw/zinc/25/81/99/780258199.db2.gz UKTKANNSZLXVFW-NEPJUHHUSA-N 2 1 281.404 -1.523 20 0 CAADMP NC1(C(=O)NC[C@H]2C[C@H]3C[NH2+]CCN3C2)CC[NH2+]CC1 ZINC001219765082 780258203 /nfs/dbraw/zinc/25/82/03/780258203.db2.gz UKTKANNSZLXVFW-NEPJUHHUSA-N 2 1 281.404 -1.523 20 0 CAADMP O=C(NC[C@H]1C[C@H]2CNCC[N@H+]2C1)[C@@]12C[NH2+]C[C@H]1CCN2 ZINC001219765086 780258290 /nfs/dbraw/zinc/25/82/90/780258290.db2.gz ULXFRBHHSRYMJY-GUIRCDHDSA-N 2 1 293.415 -1.652 20 0 CAADMP O=C(NC[C@H]1C[C@H]2C[NH2+]CCN2C1)[C@@]12C[NH2+]C[C@H]1CCN2 ZINC001219765086 780258294 /nfs/dbraw/zinc/25/82/94/780258294.db2.gz ULXFRBHHSRYMJY-GUIRCDHDSA-N 2 1 293.415 -1.652 20 0 CAADMP [NH3+]C[C@H](O)CC(=O)NC[C@H]1C[C@H]2CNCC[N@H+]2C1 ZINC001219764312 780258335 /nfs/dbraw/zinc/25/83/35/780258335.db2.gz CYIMFYSCQTXAJT-OUAUKWLOSA-N 2 1 256.350 -1.894 20 0 CAADMP [NH3+]C[C@H](O)CC(=O)NC[C@H]1C[C@H]2C[NH2+]CCN2C1 ZINC001219764312 780258341 /nfs/dbraw/zinc/25/83/41/780258341.db2.gz CYIMFYSCQTXAJT-OUAUKWLOSA-N 2 1 256.350 -1.894 20 0 CAADMP O=C(NC[C@H]1C[C@H]2CNCC[N@H+]2C1)[C@@H]1C[NH2+]C[C@H]1O ZINC001219766406 780258355 /nfs/dbraw/zinc/25/83/55/780258355.db2.gz RTYNQLJQZYKEIQ-WRWGMCAJSA-N 2 1 268.361 -2.023 20 0 CAADMP O=C(NC[C@H]1C[C@H]2C[NH2+]CCN2C1)[C@@H]1C[NH2+]C[C@H]1O ZINC001219766406 780258357 /nfs/dbraw/zinc/25/83/57/780258357.db2.gz RTYNQLJQZYKEIQ-WRWGMCAJSA-N 2 1 268.361 -2.023 20 0 CAADMP N[C@@]1(C(=O)NC[C@H]2C[C@H]3CNCC[N@H+]3C2)CC[NH2+]C1 ZINC001219766377 780258419 /nfs/dbraw/zinc/25/84/19/780258419.db2.gz RJTGZEFTMPQBBL-MDZLAQPJSA-N 2 1 267.377 -1.913 20 0 CAADMP N[C@@]1(C(=O)NC[C@H]2C[C@H]3C[NH2+]CCN3C2)CC[NH2+]C1 ZINC001219766377 780258428 /nfs/dbraw/zinc/25/84/28/780258428.db2.gz RJTGZEFTMPQBBL-MDZLAQPJSA-N 2 1 267.377 -1.913 20 0 CAADMP O=C(NC[C@H]1C[C@H]2CNCC[N@H+]2C1)[C@H]1C[NH2+]C[C@@H]1O ZINC001219766405 780258445 /nfs/dbraw/zinc/25/84/45/780258445.db2.gz RTYNQLJQZYKEIQ-RHYQMDGZSA-N 2 1 268.361 -2.023 20 0 CAADMP O=C(NC[C@H]1C[C@H]2C[NH2+]CCN2C1)[C@H]1C[NH2+]C[C@@H]1O ZINC001219766405 780258451 /nfs/dbraw/zinc/25/84/51/780258451.db2.gz RTYNQLJQZYKEIQ-RHYQMDGZSA-N 2 1 268.361 -2.023 20 0 CAADMP [NH3+]CCCC[C@H]([NH3+])C(=O)NC[C@H]1C[C@H]2CNCC[N@H+]2C1 ZINC001219764947 780259162 /nfs/dbraw/zinc/25/91/62/780259162.db2.gz PYUSGTHOQSDJFX-AGIUHOORSA-N 3 1 283.420 -1.147 20 0 CAADMP [NH3+]CCCC[C@H]([NH3+])C(=O)NC[C@H]1C[C@H]2C[NH2+]CCN2C1 ZINC001219764947 780259166 /nfs/dbraw/zinc/25/91/66/780259166.db2.gz PYUSGTHOQSDJFX-AGIUHOORSA-N 3 1 283.420 -1.147 20 0 CAADMP O=C(NC[C@H]1C[C@H]2CNCC[N@H+]2C1)[C@@H]1C[NH2+]C[C@@H]1O ZINC001219766402 780259196 /nfs/dbraw/zinc/25/91/96/780259196.db2.gz RTYNQLJQZYKEIQ-KXNHARMFSA-N 2 1 268.361 -2.023 20 0 CAADMP O=C(NC[C@H]1C[C@H]2C[NH2+]CCN2C1)[C@@H]1C[NH2+]C[C@@H]1O ZINC001219766402 780259205 /nfs/dbraw/zinc/25/92/05/780259205.db2.gz RTYNQLJQZYKEIQ-KXNHARMFSA-N 2 1 268.361 -2.023 20 0 CAADMP N[C@H]1C[NH2+][C@H](C(=O)NCC[C@@H]2CCOC23C[NH2+]C3)C1 ZINC001219799731 780261610 /nfs/dbraw/zinc/26/16/10/780261610.db2.gz BISQTPMHVHNBKQ-MXWKQRLJSA-N 2 1 268.361 -1.440 20 0 CAADMP [NH3+]CCNCC(=O)NC1CCN(C2CC[NH2+]CC2)CC1 ZINC001219796184 780261542 /nfs/dbraw/zinc/26/15/42/780261542.db2.gz PLMHNJFMQKVBTL-UHFFFAOYSA-N 2 1 283.420 -1.133 20 0 CAADMP O=C(NC1CCN(C2CC[NH2+]CC2)CC1)[C@H]1C[NH2+]CCN1 ZINC001219796417 780261689 /nfs/dbraw/zinc/26/16/89/780261689.db2.gz ZDVAPKBNHKGZLY-CQSZACIVSA-N 2 1 295.431 -1.120 20 0 CAADMP C[C@@H](C[NH3+])C(=O)NCc1cc(=O)n2c(n1)C[NH2+]CCC2 ZINC001219806088 780262128 /nfs/dbraw/zinc/26/21/28/780262128.db2.gz JIEYJZJWZMOYHO-VIFPVBQESA-N 2 1 279.344 -1.052 20 0 CAADMP C[NH+](C)[C@@H](C(=O)N[C@@H]1C[N@@H+](CCCO)C[C@@H]1O)C1CC1 ZINC001219805956 780262152 /nfs/dbraw/zinc/26/21/52/780262152.db2.gz WWLGAUAXIRGTDC-FRRDWIJNSA-N 2 1 285.388 -1.130 20 0 CAADMP O=C(NCC[C@@H]1CCOC12C[NH2+]C2)[C@@H]1COC[NH2+]1 ZINC001219800435 780262457 /nfs/dbraw/zinc/26/24/57/780262457.db2.gz JWSKOECMMWBKAZ-ZJUUUORDSA-N 2 1 255.318 -1.183 20 0 CAADMP C[NH+](C)[C@H](C(=O)N[C@@H]1C[N@H+](CCO)C[C@@H]1O)C1CC1 ZINC001219805644 780263102 /nfs/dbraw/zinc/26/31/02/780263102.db2.gz OMXWWTNHYDDEFD-WOPDTQHZSA-N 2 1 271.361 -1.520 20 0 CAADMP C[NH+](C)[C@H](C(=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1O)C1CC1 ZINC001219805644 780263107 /nfs/dbraw/zinc/26/31/07/780263107.db2.gz OMXWWTNHYDDEFD-WOPDTQHZSA-N 2 1 271.361 -1.520 20 0 CAADMP C[NH+](C)[C@@H](C(=O)N[C@@H]1C[N@H+](CCO)C[C@@H]1O)C1CC1 ZINC001219805641 780263343 /nfs/dbraw/zinc/26/33/43/780263343.db2.gz OMXWWTNHYDDEFD-GRYCIOLGSA-N 2 1 271.361 -1.520 20 0 CAADMP C[NH+](C)[C@@H](C(=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1O)C1CC1 ZINC001219805641 780263347 /nfs/dbraw/zinc/26/33/47/780263347.db2.gz OMXWWTNHYDDEFD-GRYCIOLGSA-N 2 1 271.361 -1.520 20 0 CAADMP COC(=O)[C@@H]([NH3+])CCC(=O)NC[C@H]1C[C@@H]2C[NH2+]C[C@@H]2O1 ZINC001219831549 780264057 /nfs/dbraw/zinc/26/40/57/780264057.db2.gz OKGVVGFUXDDVTL-ZNSHCXBVSA-N 2 1 285.344 -1.240 20 0 CAADMP O=C(C[NH2+]C1CC[NH2+]CC1)NC[C@]12C[NH2+]C[C@H]1COC2 ZINC001219813426 780264433 /nfs/dbraw/zinc/26/44/33/780264433.db2.gz SZIWNAWIHYOGIZ-FZMZJTMJSA-N 3 1 282.388 -1.320 20 0 CAADMP [NH3+][C@H](Cc1c[nH]cn1)C(=O)NC[C@H]1C[C@@H]2C[NH2+]C[C@@H]2O1 ZINC001219831681 780264534 /nfs/dbraw/zinc/26/45/34/780264534.db2.gz UIPMCLRCQCNBAV-HKWIRBFKSA-N 2 1 279.344 -1.227 20 0 CAADMP O=C(NC[C@@H]1CO[C@]2(C1)C[NH2+]CCOC2)[C@@H]1COCC[NH2+]1 ZINC001219839204 780265668 /nfs/dbraw/zinc/26/56/68/780265668.db2.gz YDLDEHCYTJOPME-MBNYWOFBSA-N 2 1 299.371 -1.514 20 0 CAADMP [NH3+]CC[C@H]([NH3+])C(=O)NC[C@H]1CO[C@]2(C1)C[NH2+]CCOC2 ZINC001219838588 780266014 /nfs/dbraw/zinc/26/60/14/780266014.db2.gz SCCJRYKSSRCVNQ-GMXVVIOVSA-N 3 1 286.376 -1.826 20 0 CAADMP N[C@@H]1C[NH2+][C@H](C(=O)NC[C@H]2CO[C@@]3(C2)C[NH2+]CCOC3)C1 ZINC001219837057 780266142 /nfs/dbraw/zinc/26/61/42/780266142.db2.gz HCBVEGOOOYRZSM-MNXVOIDGSA-N 2 1 298.387 -1.813 20 0 CAADMP N[C@@H]1C[NH2+][C@H](C(=O)NC[C@@H]2CO[C@@]3(C2)C[NH2+]CCOC3)C1 ZINC001219837062 780266377 /nfs/dbraw/zinc/26/63/77/780266377.db2.gz HCBVEGOOOYRZSM-UHXUPSOCSA-N 2 1 298.387 -1.813 20 0 CAADMP N[C@H]1C[NH2+][C@H](C(=O)NC[C@H]2CO[C@@]3(C2)C[NH2+]CCOC3)C1 ZINC001219837060 780266719 /nfs/dbraw/zinc/26/67/19/780266719.db2.gz HCBVEGOOOYRZSM-OPDFLTKYSA-N 2 1 298.387 -1.813 20 0 CAADMP CC(C)[C@@H](C(=O)N[C@@H]1C[N@H+](CCO)C[C@@H]1O)[NH+](C)C ZINC001219848870 780267247 /nfs/dbraw/zinc/26/72/47/780267247.db2.gz WCMJSHUCFWXSCL-WOPDTQHZSA-N 2 1 273.377 -1.274 20 0 CAADMP CC(C)[C@@H](C(=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1O)[NH+](C)C ZINC001219848870 780267255 /nfs/dbraw/zinc/26/72/55/780267255.db2.gz WCMJSHUCFWXSCL-WOPDTQHZSA-N 2 1 273.377 -1.274 20 0 CAADMP N[C@@H](CN1CCC([NH3+])CC1)C(=O)N[C@H]1CO[C@@H]2C[NH2+]C[C@H]12 ZINC001219856493 780269452 /nfs/dbraw/zinc/26/94/52/780269452.db2.gz OUWIMBRSJGCBKK-MROQNXINSA-N 2 1 297.403 -2.160 20 0 CAADMP N[C@H](CN1CCC([NH3+])CC1)C(=O)N[C@H]1CO[C@@H]2C[NH2+]C[C@H]12 ZINC001219856492 780269813 /nfs/dbraw/zinc/26/98/13/780269813.db2.gz OUWIMBRSJGCBKK-FVCCEPFGSA-N 2 1 297.403 -2.160 20 0 CAADMP O=C(C[NH2+]C1CC[NH2+]CC1)N[C@H]1CO[C@@H]2C[NH2+]C[C@H]12 ZINC001219854709 780270227 /nfs/dbraw/zinc/27/02/27/780270227.db2.gz QSFWWKOWAWUFLP-GRYCIOLGSA-N 3 1 268.361 -1.569 20 0 CAADMP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](CCO)C[C@@H]1O ZINC001219905064 780277293 /nfs/dbraw/zinc/27/72/93/780277293.db2.gz SRMNLENSEHWJDL-MNOVXSKESA-N 2 1 273.377 -1.130 20 0 CAADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](CCO)C[C@@H]1O ZINC001219905064 780277302 /nfs/dbraw/zinc/27/73/02/780277302.db2.gz SRMNLENSEHWJDL-MNOVXSKESA-N 2 1 273.377 -1.130 20 0 CAADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@H+](CCO)C[C@@H]1O ZINC001219905064 780277306 /nfs/dbraw/zinc/27/73/06/780277306.db2.gz SRMNLENSEHWJDL-MNOVXSKESA-N 2 1 273.377 -1.130 20 0 CAADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001219905064 780277313 /nfs/dbraw/zinc/27/73/13/780277313.db2.gz SRMNLENSEHWJDL-MNOVXSKESA-N 2 1 273.377 -1.130 20 0 CAADMP O=C(C[NH2+]C1CC[NH2+]CC1)NC[C@@H]1CCC(=O)N1 ZINC001219959023 780280484 /nfs/dbraw/zinc/28/04/84/780280484.db2.gz FTRQVAQNTXWVQN-JTQLQIEISA-N 2 1 254.334 -1.277 20 0 CAADMP CNS(=O)(=O)CCNC(=O)C[NH2+]C1CC[NH2+]CC1 ZINC001219961684 780283458 /nfs/dbraw/zinc/28/34/58/780283458.db2.gz RJUDGDJDNOZGLU-UHFFFAOYSA-N 2 1 278.378 -2.007 20 0 CAADMP O=C(C[NH2+]C1CC[NH2+]CC1)NCCCc1c[nH][nH]c1=O ZINC001219968045 780283743 /nfs/dbraw/zinc/28/37/43/780283743.db2.gz TXLICYZHAKVENK-SNVBAGLBSA-N 2 1 281.360 -1.044 20 0 CAADMP COC(=O)C1(NC(=O)[C@@H]2C[C@@H](N)C[NH2+]2)CC[NH2+]CC1 ZINC001220001225 780287119 /nfs/dbraw/zinc/28/71/19/780287119.db2.gz MFYOWMMXISTPHS-BDAKNGLRSA-N 2 1 270.333 -1.913 20 0 CAADMP COC(=O)C1(NC(=O)[C@@H]([NH3+])Cc2c[nH]cn2)CC[NH2+]CC1 ZINC001219998837 780287139 /nfs/dbraw/zinc/28/71/39/780287139.db2.gz CRULLMDIGZXNKA-JTQLQIEISA-N 2 1 295.343 -1.309 20 0 CAADMP COC(=O)C1(NC(=O)[C@@H]2COC[NH2+]2)CC[NH2+]CC1 ZINC001219999505 780287974 /nfs/dbraw/zinc/28/79/74/780287974.db2.gz VURIMLYBUVAUBU-QMMMGPOBSA-N 2 1 257.290 -1.656 20 0 CAADMP CCOC(=O)c1nnc(CNC(=O)[C@@H]([NH3+])CC[NH3+])o1 ZINC001220011005 780288858 /nfs/dbraw/zinc/28/88/58/780288858.db2.gz OTFKTUFWVPVALD-LURJTMIESA-N 2 1 271.277 -1.461 20 0 CAADMP CC(C)[C@](C)(NC(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1)C(N)=O ZINC001220023382 780292467 /nfs/dbraw/zinc/29/24/67/780292467.db2.gz WUFBEOIUWDFBAE-FZMZJTMJSA-N 2 1 299.419 -1.247 20 0 CAADMP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)N[C@@H]1CCC(=O)NC1=O ZINC001220031629 780295447 /nfs/dbraw/zinc/29/54/47/780295447.db2.gz YOMOVJOYUJNRKP-VHSXEESVSA-N 2 1 297.359 -2.342 20 0 CAADMP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)N[C@@H]1CCC(=O)NC1=O ZINC001220031627 780295760 /nfs/dbraw/zinc/29/57/60/780295760.db2.gz YOMOVJOYUJNRKP-NXEZZACHSA-N 2 1 297.359 -2.342 20 0 CAADMP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)N[C@H]1CCC(=O)NC1=O ZINC001220031630 780295942 /nfs/dbraw/zinc/29/59/42/780295942.db2.gz YOMOVJOYUJNRKP-ZJUUUORDSA-N 2 1 297.359 -2.342 20 0 CAADMP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)N[C@H]1CCC(=O)NC1=O ZINC001220031628 780296286 /nfs/dbraw/zinc/29/62/86/780296286.db2.gz YOMOVJOYUJNRKP-UWVGGRQHSA-N 2 1 297.359 -2.342 20 0 CAADMP C[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)CC2(CC[NH2+]CC2)O1 ZINC001220052761 780299394 /nfs/dbraw/zinc/29/93/94/780299394.db2.gz AQRSPKBLGNELJW-LLVKDONJSA-N 3 1 270.377 -1.225 20 0 CAADMP C[NH2+]CCNC(=O)[C@H]1CN(C)CC2(CC[NH2+]CC2)O1 ZINC001220052761 780299399 /nfs/dbraw/zinc/29/93/99/780299399.db2.gz AQRSPKBLGNELJW-LLVKDONJSA-N 2 1 270.377 -1.225 20 0 CAADMP C[NH+](C)CCCC[C@H]([NH3+])C(=O)NCc1nn[nH]n1 ZINC001220073838 780300255 /nfs/dbraw/zinc/30/02/55/780300255.db2.gz LZDREJFVSVGLQQ-QMMMGPOBSA-N 2 1 255.326 -1.125 20 0 CAADMP O=C(NCc1nn[nH]n1)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001220074343 780300410 /nfs/dbraw/zinc/30/04/10/780300410.db2.gz XRIOPQOLYZUIMG-GMSGAONNSA-N 2 1 251.294 -1.985 20 0 CAADMP C[NH2+]CCCCNC(=O)[C@H](N)CN1CCC([NH3+])CC1 ZINC001220079365 780301556 /nfs/dbraw/zinc/30/15/56/780301556.db2.gz INNLKKHCGZXTFQ-GFCCVEGCSA-N 2 1 271.409 -1.147 20 0 CAADMP NC(=[NH2+])N(CCCC[NH3+])C(=O)[C@H]([NH3+])C1CC[NH2+]CC1 ZINC001220103610 780302226 /nfs/dbraw/zinc/30/22/26/780302226.db2.gz ZATAZRULTSSBBR-SNVBAGLBSA-N 4 1 270.381 -1.226 20 0 CAADMP NC(=[NH2+])N(CCCC[NH3+])C(=O)[C@@H](N)Cc1cnc[nH]1 ZINC001220101512 780302289 /nfs/dbraw/zinc/30/22/89/780302289.db2.gz QXCKHHBXERZXHY-VIFPVBQESA-N 2 1 267.337 -1.260 20 0 CAADMP NC(=[NH2+])N(CCCC[NH3+])C(=O)[C@@H]([NH3+])C1CC[NH2+]CC1 ZINC001220103609 780302398 /nfs/dbraw/zinc/30/23/98/780302398.db2.gz ZATAZRULTSSBBR-JTQLQIEISA-N 4 1 270.381 -1.226 20 0 CAADMP NC(=[NH2+])N(CCCC[NH3+])C(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001220103207 780303055 /nfs/dbraw/zinc/30/30/55/780303055.db2.gz KJDZYMSVDPCQBK-VIFPVBQESA-N 4 1 258.370 -1.096 20 0 CAADMP NC(=[NH2+])N(CCCC[NH3+])C(=O)[C@H](N)Cc1cnc[nH]1 ZINC001220101511 780303104 /nfs/dbraw/zinc/30/31/04/780303104.db2.gz QXCKHHBXERZXHY-SECBINFHSA-N 2 1 267.337 -1.260 20 0 CAADMP C[N@H+]1CCCN(CCNC(=O)C[C@@H](O)C[NH3+])CC1 ZINC001220304191 780333161 /nfs/dbraw/zinc/33/31/61/780333161.db2.gz TVWLGXYAPIZWFY-LLVKDONJSA-N 2 1 258.366 -1.550 20 0 CAADMP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC001220159932 780313499 /nfs/dbraw/zinc/31/34/99/780313499.db2.gz SNCNPZYFQGFOPI-GUBZILKMSA-N 2 1 299.375 -2.096 20 0 CAADMP CC(C)[NH+]1CC(NC(=O)[C@H]2COC3(C[NH2+]C3)CN2)C1 ZINC001220159390 780314081 /nfs/dbraw/zinc/31/40/81/780314081.db2.gz OESQYWQAUCBXHT-LLVKDONJSA-N 2 1 268.361 -1.474 20 0 CAADMP CC(C)[NH+]1CC(NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+])C1 ZINC001220159477 780314479 /nfs/dbraw/zinc/31/44/79/780314479.db2.gz PGFZFXGOZIICNN-WPRPVWTQSA-N 2 1 299.375 -2.097 20 0 CAADMP [NH3+]CC[C@H]([NH3+])C(=O)N[C@H]1COCCC12OCCO2 ZINC001220174317 780315942 /nfs/dbraw/zinc/31/59/42/780315942.db2.gz WVPRNKVKFAXDFX-IUCAKERBSA-N 2 1 259.306 -1.689 20 0 CAADMP O=C(NCC1([NH+]2CCCC2)COC1)[C@H]1C[NH2+]C[C@H]1O ZINC001220197639 780318819 /nfs/dbraw/zinc/31/88/19/780318819.db2.gz MIVBERILZACURA-WDEREUQCSA-N 2 1 269.345 -1.452 20 0 CAADMP O=C(NCC1([NH+]2CCCC2)COC1)[C@@H]1C[NH2+]C[C@@H]1O ZINC001220197637 780319205 /nfs/dbraw/zinc/31/92/05/780319205.db2.gz MIVBERILZACURA-MNOVXSKESA-N 2 1 269.345 -1.452 20 0 CAADMP O=C(C[NH2+]C1CC[NH2+]CC1)NC[C@@H]1CNC(=O)C1 ZINC001220202977 780319954 /nfs/dbraw/zinc/31/99/54/780319954.db2.gz RTBFDMQAVMBQLJ-VIFPVBQESA-N 2 1 254.334 -1.420 20 0 CAADMP C[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H](O)C1 ZINC001220230970 780322361 /nfs/dbraw/zinc/32/23/61/780322361.db2.gz VTQBAOREZTWJFV-UTUOFQBUSA-N 2 1 285.388 -1.130 20 0 CAADMP C[NH+](C)CCCC(=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001220238664 780323082 /nfs/dbraw/zinc/32/30/82/780323082.db2.gz ZKKPFRUMYQLNTM-MNOVXSKESA-N 2 1 259.350 -1.518 20 0 CAADMP C[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C1 ZINC001220237454 780323501 /nfs/dbraw/zinc/32/35/01/780323501.db2.gz XARGVPHWKAVPLM-UTUOFQBUSA-N 2 1 273.377 -1.130 20 0 CAADMP O=C(NCc1nnc[nH]1)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001220250360 780327105 /nfs/dbraw/zinc/32/71/05/780327105.db2.gz YPFOPEKJGAMEOG-LDYMZIIASA-N 2 1 250.306 -1.380 20 0 CAADMP CN(C)S(=O)(=O)CCNC(=O)[C@@H]([NH3+])CC[NH3+] ZINC001220268427 780328271 /nfs/dbraw/zinc/32/82/71/780328271.db2.gz IHJKPQPBDWSXGJ-ZETCQYMHSA-N 2 1 252.340 -2.330 20 0 CAADMP COCC[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001220273521 780329608 /nfs/dbraw/zinc/32/96/08/780329608.db2.gz NADVSTDUSFDHPB-MNOVXSKESA-N 2 1 259.350 -1.254 20 0 CAADMP C[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@@H]1O ZINC001220275389 780329703 /nfs/dbraw/zinc/32/97/03/780329703.db2.gz WVYYDSQLPBJHJN-NEPJUHHUSA-N 2 1 289.376 -1.892 20 0 CAADMP COCCn1cncc1CNC(=O)[C@@H]([NH3+])CC[NH3+] ZINC001220274397 780329925 /nfs/dbraw/zinc/32/99/25/780329925.db2.gz ATBRJSBQEFOPKK-JTQLQIEISA-N 2 1 255.322 -1.178 20 0 CAADMP C[C@H](O)C[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001220277319 780330153 /nfs/dbraw/zinc/33/01/53/780330153.db2.gz VWNMJLUHVFPREX-AXFHLTTASA-N 2 1 259.350 -1.520 20 0 CAADMP C[N@H+]1CCCN(CCNC(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3N2)CC1 ZINC001220303738 780331471 /nfs/dbraw/zinc/33/14/71/780331471.db2.gz BCGXQTPVFVVIFX-MELADBBJSA-N 3 1 295.431 -1.310 20 0 CAADMP C[N@H+]1CCCN(CCNC(=O)CN2CC[NH2+]CC2)CC1 ZINC001220303785 780331518 /nfs/dbraw/zinc/33/15/18/780331518.db2.gz CMUFSKAOFYQWJF-UHFFFAOYSA-N 2 1 283.420 -1.355 20 0 CAADMP [NH3+]CCSC[C@H]([NH3+])C(=O)N[C@@H](CO)Cc1cnc[nH]1 ZINC001220291774 780331819 /nfs/dbraw/zinc/33/18/19/780331819.db2.gz XIEKZPSEAREVCP-ZJUUUORDSA-N 2 1 287.389 -1.552 20 0 CAADMP [NH3+]CCC[C@@H]([NH3+])C(=O)N[C@@H](CO)Cc1cnc[nH]1 ZINC001220290980 780332036 /nfs/dbraw/zinc/33/20/36/780332036.db2.gz JCZNSVZBPKCBKN-NXEZZACHSA-N 2 1 255.322 -1.505 20 0 CAADMP CC(C)[C@H](C(=O)N[C@@H]1C[N@H+](CCO)C[C@@H]1O)[NH+](C)C ZINC001220290330 780332278 /nfs/dbraw/zinc/33/22/78/780332278.db2.gz WCMJSHUCFWXSCL-GRYCIOLGSA-N 2 1 273.377 -1.274 20 0 CAADMP CC(C)[C@H](C(=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1O)[NH+](C)C ZINC001220290330 780332281 /nfs/dbraw/zinc/33/22/81/780332281.db2.gz WCMJSHUCFWXSCL-GRYCIOLGSA-N 2 1 273.377 -1.274 20 0 CAADMP [NH3+]CCCNCC(=O)NCc1ncn2c1C[NH2+]CCC2 ZINC001220313742 780333169 /nfs/dbraw/zinc/33/31/69/780333169.db2.gz UFIPUXUCPKJZSI-UHFFFAOYSA-N 2 1 280.376 -1.069 20 0 CAADMP C[N@H+]1CCCN(CCNC(=O)[C@@H]2C[C@H](O)C[NH2+]2)CC1 ZINC001220304312 780333252 /nfs/dbraw/zinc/33/32/52/780333252.db2.gz XTBYKBUIRUAARW-RYUDHWBXSA-N 2 1 270.377 -1.537 20 0 CAADMP C[N@H+]1CCCN(CCNC(=O)[C@@H](N)CC[NH3+])CC1 ZINC001220306797 780333314 /nfs/dbraw/zinc/33/33/14/780333314.db2.gz OWWWCGHRCMOLJX-NSHDSACASA-N 2 1 257.382 -1.584 20 0 CAADMP C[N@@H+]1CCCN(CCNC(=O)[C@@H]([NH3+])CC[NH3+])CC1 ZINC001220306797 780333317 /nfs/dbraw/zinc/33/33/17/780333317.db2.gz OWWWCGHRCMOLJX-NSHDSACASA-N 3 1 257.382 -1.584 20 0 CAADMP C[N@H+]1CCCN(CCNC(=O)[C@@H]([NH3+])CC[NH3+])CC1 ZINC001220306797 780333322 /nfs/dbraw/zinc/33/33/22/780333322.db2.gz OWWWCGHRCMOLJX-NSHDSACASA-N 3 1 257.382 -1.584 20 0 CAADMP C[N@H+]1CCCN(CCNC(=O)C2(N)CC[NH2+]CC2)CC1 ZINC001220307086 780333431 /nfs/dbraw/zinc/33/34/31/780333431.db2.gz RMKJUMXVQXIBJT-UHFFFAOYSA-N 2 1 283.420 -1.179 20 0 CAADMP C[N@H+]1CCCN(CCNC(=O)[C@]23C[NH2+]C[C@H]2CCN3)CC1 ZINC001220304197 780333512 /nfs/dbraw/zinc/33/35/12/780333512.db2.gz TZRMLODVIODPHT-HIFRSBDPSA-N 2 1 295.431 -1.308 20 0 CAADMP C[N@H+]1CCCN(CCNC(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)CC1 ZINC001220303991 780333536 /nfs/dbraw/zinc/33/35/36/780333536.db2.gz LHTPIXRVHAPZMD-CYBMUJFWSA-N 3 1 295.431 -1.451 20 0 CAADMP C[N@H+]1CCCN(CCNC(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)CC1 ZINC001220303992 780333664 /nfs/dbraw/zinc/33/36/64/780333664.db2.gz LHTPIXRVHAPZMD-ZDUSSCGKSA-N 3 1 295.431 -1.451 20 0 CAADMP C[N@H+]1CCCN(CCNC(=O)[C@H]([NH3+])CCC[NH3+])CC1 ZINC001220304072 780333690 /nfs/dbraw/zinc/33/36/90/780333690.db2.gz OIBXZRHLLVVZQA-GFCCVEGCSA-N 3 1 271.409 -1.194 20 0 CAADMP C[N@H+]1CCCN(CCNC(=O)[C@@]23CC[C@@H](N2)[C@H]([NH3+])C3)CC1 ZINC001220304125 780333851 /nfs/dbraw/zinc/33/38/51/780333851.db2.gz QOTJJFGVUSNXCF-NFAWXSAZSA-N 2 1 295.431 -1.038 20 0 CAADMP C[N@@H+]1CCCN(CCNC(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H](N)C3)CC1 ZINC001220304125 780333855 /nfs/dbraw/zinc/33/38/55/780333855.db2.gz QOTJJFGVUSNXCF-NFAWXSAZSA-N 2 1 295.431 -1.038 20 0 CAADMP C[N@H+]1CCCN(CCNC(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H](N)C3)CC1 ZINC001220304125 780333865 /nfs/dbraw/zinc/33/38/65/780333865.db2.gz QOTJJFGVUSNXCF-NFAWXSAZSA-N 2 1 295.431 -1.038 20 0 CAADMP O=C(NCc1ncn2c1C[NH2+]CCC2)[C@@H]1COC[NH2+]1 ZINC001220310549 780334121 /nfs/dbraw/zinc/33/41/21/780334121.db2.gz BJSMHKKYZVFGGF-JTQLQIEISA-N 2 1 265.317 -1.062 20 0 CAADMP O=C(N[C@H]1CO[C@@]2(C1)CCC[NH2+]C2)[C@@H]1COC[NH2+]1 ZINC001220315847 780335523 /nfs/dbraw/zinc/33/55/23/780335523.db2.gz JKWWGKBPYFIOMS-JFGNBEQYSA-N 2 1 255.318 -1.040 20 0 CAADMP N[C@@H]1C[NH2+][C@H](C(=O)N[C@H]2CO[C@@]3(C2)CCC[NH2+]C3)C1 ZINC001220320777 780336661 /nfs/dbraw/zinc/33/66/61/780336661.db2.gz PHGARHDRAUHMOF-SRRSOLGSSA-N 2 1 268.361 -1.297 20 0 CAADMP [NH3+]CC[C@H]([NH3+])C(=O)N[C@H]1CO[C@]2(C1)CCC[NH2+]C2 ZINC001220321490 780336884 /nfs/dbraw/zinc/33/68/84/780336884.db2.gz URMVAKVETPVGJD-SCVCMEIPSA-N 3 1 256.350 -1.310 20 0 CAADMP NC(=O)[C@H](CO)NC(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001220328878 780337519 /nfs/dbraw/zinc/33/75/19/780337519.db2.gz DQAIHFAKSFXHFL-BDAKNGLRSA-N 2 1 273.337 -3.301 20 0 CAADMP CC[C@@H](C(=O)N[C@@H]1C[N@H+](CCO)C[C@@H]1O)[NH+](C)C ZINC001220380166 780342565 /nfs/dbraw/zinc/34/25/65/780342565.db2.gz SFJIGMQKMIWGTQ-VWYCJHECSA-N 2 1 259.350 -1.520 20 0 CAADMP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1O)[NH+](C)C ZINC001220380166 780342572 /nfs/dbraw/zinc/34/25/72/780342572.db2.gz SFJIGMQKMIWGTQ-VWYCJHECSA-N 2 1 259.350 -1.520 20 0 CAADMP CN1CCOC[C@H]1CNC(=O)C[NH2+]C1CC[NH2+]CC1 ZINC001220382408 780342591 /nfs/dbraw/zinc/34/25/91/780342591.db2.gz WLBADNMARKUSPP-GFCCVEGCSA-N 2 1 270.377 -1.225 20 0 CAADMP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](CCCO)C[C@@H]1O)[NH+](C)C ZINC001220380249 780342776 /nfs/dbraw/zinc/34/27/76/780342776.db2.gz VSYYVWIZEYIKQQ-WOPDTQHZSA-N 2 1 273.377 -1.130 20 0 CAADMP CNC(=O)[C@H](C)NC(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001220418206 780346057 /nfs/dbraw/zinc/34/60/57/780346057.db2.gz HMPDYYYJVDKMFG-WCBMZHEXSA-N 2 1 271.365 -2.013 20 0 CAADMP CNC(=O)[C@H](C)NC(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001220418209 780347196 /nfs/dbraw/zinc/34/71/96/780347196.db2.gz HMPDYYYJVDKMFG-WPRPVWTQSA-N 2 1 271.365 -2.013 20 0 CAADMP O=C(NC[C@@H]1COCCN1)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001220428962 780347741 /nfs/dbraw/zinc/34/77/41/780347741.db2.gz INVIBYKBKRPSNU-NQBHXWOUSA-N 2 1 268.361 -1.710 20 0 CAADMP O=C(NC[C@@H]1COCCN1)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001220429267 780347941 /nfs/dbraw/zinc/34/79/41/780347941.db2.gz OMJCFNBVJMPBBI-NEPJUHHUSA-N 2 1 282.388 -1.035 20 0 CAADMP O=C(NC[C@@H]1COCCN1)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001220429270 780348298 /nfs/dbraw/zinc/34/82/98/780348298.db2.gz OMJCFNBVJMPBBI-VXGBXAGGSA-N 2 1 282.388 -1.035 20 0 CAADMP [NH3+]CCSC[C@H]([NH3+])C(=O)NC[C@H]1COCCN1 ZINC001220431343 780348308 /nfs/dbraw/zinc/34/83/08/780348308.db2.gz FNARBPARIDSVHK-IUCAKERBSA-N 2 1 262.379 -1.890 20 0 CAADMP C[NH2+][C@@H](CCCC[NH3+])C(=O)NC[C@H]1COCCN1 ZINC001220429266 780348320 /nfs/dbraw/zinc/34/83/20/780348320.db2.gz OKXOYHVWLMJDSL-QWRGUYRKSA-N 2 1 258.366 -1.192 20 0 CAADMP O=C(NC[C@H]1COCCN1)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220428871 780348693 /nfs/dbraw/zinc/34/86/93/780348693.db2.gz GVDVCELVUDAGRI-UWVGGRQHSA-N 2 1 254.334 -2.100 20 0 CAADMP [NH3+][C@H](C(=O)NC[C@@H]1COCCN1)C1CC[NH2+]CC1 ZINC001220432103 780348861 /nfs/dbraw/zinc/34/88/61/780348861.db2.gz XWAGSQYORIHFPH-MNOVXSKESA-N 2 1 256.350 -1.582 20 0 CAADMP O=C(NC[C@H]1COCCN1)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001220428963 780348867 /nfs/dbraw/zinc/34/88/67/780348867.db2.gz INVIBYKBKRPSNU-NTZNESFSSA-N 2 1 268.361 -1.710 20 0 CAADMP [NH3+][C@@H](C(=O)NC[C@H]1COCCN1)C1CC[NH2+]CC1 ZINC001220432105 780348878 /nfs/dbraw/zinc/34/88/78/780348878.db2.gz XWAGSQYORIHFPH-WDEREUQCSA-N 2 1 256.350 -1.582 20 0 CAADMP O=C(C[NH2+]C1CC[NH2+]CC1)N1C[C@H](O)C[C@@H]1CO ZINC001220481868 780353421 /nfs/dbraw/zinc/35/34/21/780353421.db2.gz UPBCNHANCKEUHN-GHMZBOCLSA-N 2 1 257.334 -1.718 20 0 CAADMP CC(C)[C@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)[C@@H]2COC[NH2+]2)O1 ZINC001220481636 780353473 /nfs/dbraw/zinc/35/34/73/780353473.db2.gz MEQVDXOGIYOIAW-XNDJQWLSSA-N 2 1 273.333 -1.227 20 0 CAADMP CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)[C@@H]2COC[NH2+]2)O1 ZINC001220481635 780353977 /nfs/dbraw/zinc/35/39/77/780353977.db2.gz MEQVDXOGIYOIAW-BTQIBKBOSA-N 2 1 273.333 -1.227 20 0 CAADMP CN(CC[NH3+])CCNC(=O)[C@H]([NH3+])Cc1c[nH]cn1 ZINC001220515813 780357417 /nfs/dbraw/zinc/35/74/17/780357417.db2.gz LNBFGXROMKOGBC-SNVBAGLBSA-N 2 1 254.338 -1.714 20 0 CAADMP N[C@@H]1C[NH2+][C@H](C(=O)NCCOCCOCC[NH3+])C1 ZINC001220519187 780358441 /nfs/dbraw/zinc/35/84/41/780358441.db2.gz FRGNEPCLOXLIHO-UWVGGRQHSA-N 2 1 260.338 -2.216 20 0 CAADMP CCOC(=O)C1=C(NC(=O)[C@@H]([NH3+])CC[NH3+])CC[NH2+]C1 ZINC001220522800 780358701 /nfs/dbraw/zinc/35/87/01/780358701.db2.gz FCTAGRVRWJYRPX-VIFPVBQESA-N 3 1 270.333 -1.411 20 0 CAADMP O=C(NCC[NH+]1CC2(COC2)C1)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC001220571134 780363293 /nfs/dbraw/zinc/36/32/93/780363293.db2.gz JXENYUNXGIFFRP-URLYPYJESA-N 2 1 251.330 -1.100 20 0 CAADMP N[C@]1(C(=O)NCC[NH+]2CC3(COC3)C2)CC[NH2+]C1 ZINC001220571319 780364234 /nfs/dbraw/zinc/36/42/34/780364234.db2.gz OLGGNTYINXAQQU-GFCCVEGCSA-N 2 1 254.334 -1.874 20 0 CAADMP N[C@@]1(C(=O)NCC[NH+]2CC3(COC3)C2)CC[NH2+]C1 ZINC001220571320 780364333 /nfs/dbraw/zinc/36/43/33/780364333.db2.gz OLGGNTYINXAQQU-LBPRGKRZSA-N 2 1 254.334 -1.874 20 0 CAADMP O=C(CN1CC[NH2+]CC1)NCC[NH+]1CC2(COC2)C1 ZINC001220571419 780364452 /nfs/dbraw/zinc/36/44/52/780364452.db2.gz QYVRWEWRBLCEML-UHFFFAOYSA-N 2 1 268.361 -1.660 20 0 CAADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](C[C@H](C)O)C[C@@H]1O ZINC001220582784 780368455 /nfs/dbraw/zinc/36/84/55/780368455.db2.gz DPZFKDSBXXYSMO-TUAOUCFPSA-N 2 1 273.377 -1.130 20 0 CAADMP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@H+](CCO)C[C@@H]1O ZINC001220764702 780381028 /nfs/dbraw/zinc/38/10/28/780381028.db2.gz SWKRZFUFTIJVNJ-MNOVXSKESA-N 2 1 275.349 -2.282 20 0 CAADMP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001220764702 780381037 /nfs/dbraw/zinc/38/10/37/780381037.db2.gz SWKRZFUFTIJVNJ-MNOVXSKESA-N 2 1 275.349 -2.282 20 0 CAADMP CCOC(=O)C1=C(NC(=O)C[NH2+]C2CC[NH2+]CC2)C[NH2+]C1 ZINC001220827123 780382700 /nfs/dbraw/zinc/38/27/00/780382700.db2.gz HRUBYYCEXZDPFU-UHFFFAOYSA-N 3 1 296.371 -1.135 20 0 CAADMP C[NH+](C)CCCCC(=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001220799036 780383403 /nfs/dbraw/zinc/38/34/03/780383403.db2.gz MIMFWXHHTTUSSA-NEPJUHHUSA-N 2 1 273.377 -1.128 20 0 CAADMP CCOC(=O)C1=C(NC(=O)CC[C@H]([NH3+])C(=O)OC)C[NH2+]C1 ZINC001220827186 780383520 /nfs/dbraw/zinc/38/35/20/780383520.db2.gz JERWQWCBEHZTJV-VIFPVBQESA-N 2 1 299.327 -1.197 20 0 CAADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CN([C@H](C)C(N)=O)C[C@@H]1O ZINC001220822464 780383551 /nfs/dbraw/zinc/38/35/51/780383551.db2.gz ZMVXTJWGHAPYTA-MXWKQRLJSA-N 2 1 286.376 -1.637 20 0 CAADMP CCOC(=O)C1=C(NC(=O)C[N@@H+]2CC[C@H](O)C2)C[NH2+]C1 ZINC001220829910 780383967 /nfs/dbraw/zinc/38/39/67/780383967.db2.gz FQOSXCHSWLURPF-VIFPVBQESA-N 2 1 283.328 -1.410 20 0 CAADMP CCOC(=O)C1=C(NC(=O)C[N@H+]2CC[C@H](O)C2)C[NH2+]C1 ZINC001220829910 780383974 /nfs/dbraw/zinc/38/39/74/780383974.db2.gz FQOSXCHSWLURPF-VIFPVBQESA-N 2 1 283.328 -1.410 20 0 CAADMP CCOC(=O)C1=C(NC(=O)[C@@H]2C[C@H](N)C[NH2+]2)C[NH2+]C1 ZINC001220829913 780384032 /nfs/dbraw/zinc/38/40/32/780384032.db2.gz FSESFNQHUUSHIB-CBAPKCEASA-N 2 1 268.317 -1.788 20 0 CAADMP CCOC(=O)C1=C(NC(=O)[C@H]2C[N@@H+](C)CCN2C)C[NH2+]C1 ZINC001220830030 780384217 /nfs/dbraw/zinc/38/42/17/780384217.db2.gz KVOWKZAPDSXIHE-GFCCVEGCSA-N 2 1 296.371 -1.231 20 0 CAADMP CCOC(=O)C1=C(NC(=O)[C@@H]2C[C@@H](N)C[NH2+]2)C[NH2+]C1 ZINC001220828070 780384709 /nfs/dbraw/zinc/38/47/09/780384709.db2.gz FSESFNQHUUSHIB-APPZFPTMSA-N 2 1 268.317 -1.788 20 0 CAADMP O=C(NCCN1CC[NH2+]CC1=O)[C@@H]1C[C@@H](F)CC[NH2+]1 ZINC001220872073 780387889 /nfs/dbraw/zinc/38/78/89/780387889.db2.gz JDWDITDUZNTZRK-UWVGGRQHSA-N 2 1 272.324 -1.376 20 0 CAADMP O=C(C[C@@H]1CCC[NH2+]C1)NCCN1CC[NH2+]CC1=O ZINC001220872062 780388367 /nfs/dbraw/zinc/38/83/67/780388367.db2.gz INSJHGDDZKXEJZ-NSHDSACASA-N 2 1 268.361 -1.076 20 0 CAADMP O=C(NCCN1CC[NH2+]CC1=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1 ZINC001220871939 780388657 /nfs/dbraw/zinc/38/86/57/780388657.db2.gz DFCBTPKFZWZJPN-GARJFASQSA-N 2 1 281.360 -2.516 20 0 CAADMP O=C(NCCN1CC[NH2+]CC1=O)C1CC[NH2+]CC1 ZINC001220872031 780388852 /nfs/dbraw/zinc/38/88/52/780388852.db2.gz HRLGMUSSZKPPFS-UHFFFAOYSA-N 2 1 254.334 -1.466 20 0 CAADMP CCOC(=O)C1(NC(=O)C[C@@H]([NH3+])CCCC[NH3+])CNC1 ZINC001220851293 780389251 /nfs/dbraw/zinc/38/92/51/780389251.db2.gz PBJUOXXQJUOOLF-JTQLQIEISA-N 2 1 286.376 -1.146 20 0 CAADMP O=C(C[C@H]1CCC[NH2+]C1)NCCN1CC[NH2+]CC1=O ZINC001220872061 780389326 /nfs/dbraw/zinc/38/93/26/780389326.db2.gz INSJHGDDZKXEJZ-LLVKDONJSA-N 2 1 268.361 -1.076 20 0 CAADMP [NH3+][C@H](C(=O)NCCN1CC[NH2+]CC1=O)C1CC[NH2+]CC1 ZINC001220874912 780390051 /nfs/dbraw/zinc/39/00/51/780390051.db2.gz QSRKEZSQRZVDMF-LBPRGKRZSA-N 3 1 283.376 -2.139 20 0 CAADMP O=C(NCCN1CC[NH2+]CC1=O)[C@@H]1CC[NH2+]C[C@@H]1F ZINC001220875118 780390290 /nfs/dbraw/zinc/39/02/90/780390290.db2.gz TZUFIFAVPDPUAL-ZJUUUORDSA-N 2 1 272.324 -1.518 20 0 CAADMP C[C@H]1CC[NH2+][C@H](C(=O)NCCN2CC[NH2+]CC2=O)C1 ZINC001220872232 780390596 /nfs/dbraw/zinc/39/05/96/780390596.db2.gz PGNRJHBKMXQTJD-QWRGUYRKSA-N 2 1 268.361 -1.078 20 0 CAADMP O=C(NCCN1CC[NH2+]CC1=O)[C@@H]1C[NH2+]C[C@H]1O ZINC001220874909 780390614 /nfs/dbraw/zinc/39/06/14/780390614.db2.gz QQNCXOJWBVBGJH-RKDXNWHRSA-N 2 1 256.306 -2.885 20 0 CAADMP O=C(NCCN1CC[NH2+]CC1=O)[C@@H]1COC2(C[NH2+]C2)CN1 ZINC001220872103 780390707 /nfs/dbraw/zinc/39/07/07/780390707.db2.gz KHIRKGRJOPGLAQ-JTQLQIEISA-N 2 1 297.359 -3.135 20 0 CAADMP N[C@H]1C[NH2+]C[C@@H]1C(=O)NCCN1CC[NH2+]CC1=O ZINC001220874220 780390738 /nfs/dbraw/zinc/39/07/38/780390738.db2.gz FIAYZEMNECRCJE-IUCAKERBSA-N 2 1 255.322 -2.919 20 0 CAADMP O=C(NCCN1CC[NH2+]CC1=O)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220872249 780390777 /nfs/dbraw/zinc/39/07/77/780390777.db2.gz QJVXDPVHDGYMAW-SNVBAGLBSA-N 3 1 281.360 -2.657 20 0 CAADMP C[C@@H]1CC[NH2+][C@H](C(=O)NCCN2CC[NH2+]CC2=O)C1 ZINC001220872231 780390803 /nfs/dbraw/zinc/39/08/03/780390803.db2.gz PGNRJHBKMXQTJD-MNOVXSKESA-N 2 1 268.361 -1.078 20 0 CAADMP O=C(NCCN1CC[NH2+]CC1=O)[C@H]1CC[NH2+]C[C@@H]1F ZINC001220875116 780390821 /nfs/dbraw/zinc/39/08/21/780390821.db2.gz TZUFIFAVPDPUAL-UWVGGRQHSA-N 2 1 272.324 -1.518 20 0 CAADMP C[C@@]1(C(=O)NCCN2CC[NH2+]CC2=O)CC[NH2+]C1 ZINC001220874728 780391127 /nfs/dbraw/zinc/39/11/27/780391127.db2.gz NSVLIUHBWYRELO-GFCCVEGCSA-N 2 1 254.334 -1.466 20 0 CAADMP O=C(NCCN1CC[NH2+]CC1=O)[C@@H]1C[C@H](O)C[NH2+]1 ZINC001220875253 780391142 /nfs/dbraw/zinc/39/11/42/780391142.db2.gz ZNUBFRCVWDLNIN-IUCAKERBSA-N 2 1 256.306 -2.743 20 0 CAADMP O=C(NCCN1CC[NH2+]CC1=O)[C@H]1C[C@@H](O)C[NH2+]1 ZINC001220872576 780391161 /nfs/dbraw/zinc/39/11/61/780391161.db2.gz ZNUBFRCVWDLNIN-RKDXNWHRSA-N 2 1 256.306 -2.743 20 0 CAADMP C[C@H]1CC[NH2+][C@@H](C(=O)NCCN2CC[NH2+]CC2=O)C1 ZINC001220872233 780391220 /nfs/dbraw/zinc/39/12/20/780391220.db2.gz PGNRJHBKMXQTJD-WDEREUQCSA-N 2 1 268.361 -1.078 20 0 CAADMP N[C@@]1(C(=O)NCCN2CC[NH2+]CC2=O)CC[NH2+]C1 ZINC001220874843 780391371 /nfs/dbraw/zinc/39/13/71/780391371.db2.gz NZGZZWHQIXPIDP-NSHDSACASA-N 2 1 255.322 -2.775 20 0 CAADMP O=C(NCCN1CC[NH2+]CC1=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001220872132 780391474 /nfs/dbraw/zinc/39/14/74/780391474.db2.gz LHEUTVRCDFQGKK-BXUZGUMPSA-N 3 1 295.387 -2.267 20 0 CAADMP O=C(NCCN1CC[NH2+]CC1=O)[C@@H]1CC[NH2+]C[C@H]1F ZINC001220875115 780391794 /nfs/dbraw/zinc/39/17/94/780391794.db2.gz TZUFIFAVPDPUAL-NXEZZACHSA-N 2 1 272.324 -1.518 20 0 CAADMP O=C(N[C@@H]1CCC[NH2+]C1)c1nnn2c1C[NH2+]CC2 ZINC001220896408 780393970 /nfs/dbraw/zinc/39/39/70/780393970.db2.gz LIGRQYIDHPRMCB-MRVPVSSYSA-N 2 1 250.306 -1.137 20 0 CAADMP N[C@@H](CN1CCC([NH3+])CC1)C(=O)N[C@H]1CCC[NH2+]C1 ZINC001220889250 780394260 /nfs/dbraw/zinc/39/42/60/780394260.db2.gz GQXBGKZXFBUCBE-RYUDHWBXSA-N 2 1 269.393 -1.395 20 0 CAADMP [NH3+]CCN(CCNC(=O)[C@@H]1COC[NH2+]1)N(O)N=O ZINC001220900145 780394635 /nfs/dbraw/zinc/39/46/35/780394635.db2.gz BQUDZMKMTKKADI-ZETCQYMHSA-N 2 1 262.270 -2.403 20 0 CAADMP O=C(N[C@H]1CCC[NH2+]C1)c1nnn2c1C[NH2+]CC2 ZINC001220896409 780394947 /nfs/dbraw/zinc/39/49/47/780394947.db2.gz LIGRQYIDHPRMCB-QMMMGPOBSA-N 2 1 250.306 -1.137 20 0 CAADMP CS(=O)(=O)N1CCC(CNC(=O)[C@@H]([NH3+])CC[NH3+])CC1 ZINC001220926792 780396134 /nfs/dbraw/zinc/39/61/34/780396134.db2.gz ZTNARNYMGLMYAI-JTQLQIEISA-N 2 1 292.405 -1.550 20 0 CAADMP N=c1ncc(C[NH3+])cn1C(=O)[C@H]([NH3+])CCCNC(N)=O ZINC001220951065 780398825 /nfs/dbraw/zinc/39/88/25/780398825.db2.gz OUOODIWMZWGRPE-MRVPVSSYSA-N 2 1 281.320 -1.763 20 0 CAADMP N=c1ncc(C[NH3+])cn1C(=O)[C@@H]([NH3+])CSCC[NH3+] ZINC001220951091 780399696 /nfs/dbraw/zinc/39/96/96/780399696.db2.gz PHPQTHGGGVGBOM-QMMMGPOBSA-N 3 1 270.362 -1.519 20 0 CAADMP CCOC(=O)[C@@H]1CCOC[C@@H]1NC(=O)[C@@H]([NH3+])CC[NH3+] ZINC001220961096 780400249 /nfs/dbraw/zinc/40/02/49/780400249.db2.gz ZOBBAEAOWJUFTF-UTLUCORTSA-N 2 1 273.333 -1.253 20 0 CAADMP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@@H+](C[C@H](C)O)C[C@@H]1O ZINC001221089675 780404674 /nfs/dbraw/zinc/40/46/74/780404674.db2.gz MACLMMFWXSUYTQ-TUAOUCFPSA-N 2 1 273.377 -1.131 20 0 CAADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@H](C)O)C[C@@H]1O ZINC001221089675 780404677 /nfs/dbraw/zinc/40/46/77/780404677.db2.gz MACLMMFWXSUYTQ-TUAOUCFPSA-N 2 1 273.377 -1.131 20 0 CAADMP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@H](C)O)C[C@@H]1O ZINC001221089675 780404680 /nfs/dbraw/zinc/40/46/80/780404680.db2.gz MACLMMFWXSUYTQ-TUAOUCFPSA-N 2 1 273.377 -1.131 20 0 CAADMP CC(C)(C)[NH+]1CC(NC(=O)[C@H]2COC3(C[NH2+]C3)CN2)C1 ZINC001221194244 780407000 /nfs/dbraw/zinc/40/70/00/780407000.db2.gz NXRHCVJAYDURJV-LLVKDONJSA-N 2 1 282.388 -1.084 20 0 CAADMP CCCC[C@H](NC(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1)C(N)=O ZINC001221234076 780407203 /nfs/dbraw/zinc/40/72/03/780407203.db2.gz BIOHFTKAUZGPAD-NEPJUHHUSA-N 2 1 299.419 -1.103 20 0 CAADMP C[N@H+]1CCC[C@@](C)(NC(=O)[C@H]2COC3(C[NH2+]C3)CN2)C1 ZINC001221240826 780407565 /nfs/dbraw/zinc/40/75/65/780407565.db2.gz DKEPLOZLWJQYFZ-DGCLKSJQSA-N 2 1 282.388 -1.083 20 0 CAADMP [NH3+][C@@H](CC(F)F)C(=O)N1CN[C@@H]([NH3+])[C@H]2NCN[C@H]21 ZINC001221266115 780408454 /nfs/dbraw/zinc/40/84/54/780408454.db2.gz SJYXYFIDWVPIPE-IHBLQFBFSA-N 2 1 264.280 -2.512 20 0 CAADMP C[N@H+]1CC[C@@H](CNC(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)C1 ZINC001221254395 780408508 /nfs/dbraw/zinc/40/85/08/780408508.db2.gz NSSNIAPFDKMGCA-WCQYABFASA-N 3 1 283.420 -1.195 20 0 CAADMP C[N@@H+]1CC[C@@H](CNC(=O)[C@H](N)CN2CCC([NH3+])CC2)C1 ZINC001221254395 780408509 /nfs/dbraw/zinc/40/85/09/780408509.db2.gz NSSNIAPFDKMGCA-WCQYABFASA-N 3 1 283.420 -1.195 20 0 CAADMP C[N@H+]1CC[C@@H](CNC(=O)[C@H](N)CN2CCC([NH3+])CC2)C1 ZINC001221254395 780408513 /nfs/dbraw/zinc/40/85/13/780408513.db2.gz NSSNIAPFDKMGCA-WCQYABFASA-N 2 1 283.420 -1.195 20 0 CAADMP C[C@@]1([NH3+])C[C@H](NC(=O)[C@H](N)CN2CCC([NH3+])CC2)C1 ZINC001221241139 780408543 /nfs/dbraw/zinc/40/85/43/780408543.db2.gz OWXJWNQZOZVUJC-WZRBSPASSA-N 2 1 269.393 -1.267 20 0 CAADMP [NH3+][C@@H]1NCN(C(=O)C2CC[NH2+]CC2)[C@H]2NCN[C@@H]21 ZINC001221265393 780408575 /nfs/dbraw/zinc/40/85/75/780408575.db2.gz LGJFLBBETATCEX-OPRDCNLKSA-N 2 1 254.338 -2.495 20 0 CAADMP C[N@H+]1CC[C@@H](CNC(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)C1 ZINC001221254394 780408686 /nfs/dbraw/zinc/40/86/86/780408686.db2.gz NSSNIAPFDKMGCA-AAEUAGOBSA-N 3 1 283.420 -1.195 20 0 CAADMP C[N@@H+]1CC[C@@H](CNC(=O)[C@@H](N)CN2CCC([NH3+])CC2)C1 ZINC001221254394 780408690 /nfs/dbraw/zinc/40/86/90/780408690.db2.gz NSSNIAPFDKMGCA-AAEUAGOBSA-N 3 1 283.420 -1.195 20 0 CAADMP C[N@H+]1CC[C@@H](CNC(=O)[C@@H](N)CN2CCC([NH3+])CC2)C1 ZINC001221254394 780408694 /nfs/dbraw/zinc/40/86/94/780408694.db2.gz NSSNIAPFDKMGCA-AAEUAGOBSA-N 2 1 283.420 -1.195 20 0 CAADMP C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N[C@]1(C)CCC[N@@H+](C)C1 ZINC001221244181 780408858 /nfs/dbraw/zinc/40/88/58/780408858.db2.gz REYPQRNKDYRATL-OUJBWJOFSA-N 2 1 286.376 -1.589 20 0 CAADMP [NH3+][C@@H](CC(F)F)C(=O)N1CN[C@@H]([NH3+])[C@@H]2NCN[C@H]21 ZINC001221266119 780409024 /nfs/dbraw/zinc/40/90/24/780409024.db2.gz SJYXYFIDWVPIPE-JPCMASIJSA-N 2 1 264.280 -2.512 20 0 CAADMP C[N@H+]1CC[C@@H](CNC(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)C1 ZINC001221254797 780409071 /nfs/dbraw/zinc/40/90/71/780409071.db2.gz TZCREBGYXOIEHU-QWRGUYRKSA-N 3 1 252.362 -1.137 20 0 CAADMP C[N@H+]1CC[C@@H](CNC(=O)[C@H]([NH3+])CCCNC(N)=O)C1 ZINC001221254332 780409114 /nfs/dbraw/zinc/40/91/14/780409114.db2.gz KQYUUTIUGVVRGY-VHSXEESVSA-N 2 1 271.365 -1.170 20 0 CAADMP C[C@]1(C(=O)N2CN[C@H]([NH3+])[C@H]3NCN[C@H]32)CC[NH2+]C1 ZINC001221266053 780411137 /nfs/dbraw/zinc/41/11/37/780411137.db2.gz RXTURKYXXSTPCU-HJGDQZAQSA-N 2 1 254.338 -2.495 20 0 CAADMP [NH3+][C@@H]1NCN(C(=O)C[C@@H]2CCC[NH2+]C2)[C@@H]2NCN[C@@H]21 ZINC001221265915 780411282 /nfs/dbraw/zinc/41/12/82/780411282.db2.gz QKBULJFRUWJCBQ-GMNPVEAJSA-N 2 1 268.365 -2.105 20 0 CAADMP [NH3+][C@@H]1CCC[C@H]1C(=O)N1CN[C@@H]([NH3+])[C@@H]2NCN[C@H]21 ZINC001221265332 780411325 /nfs/dbraw/zinc/41/13/25/780411325.db2.gz KGEKGGQHMHFDKT-SPFKKGSWSA-N 2 1 254.338 -2.367 20 0 CAADMP CC[C@H](C)[C@@H]([NH3+])CC(=O)N1CN[C@H]([NH3+])[C@@H]2NCN[C@@H]21 ZINC001221266563 780411551 /nfs/dbraw/zinc/41/15/51/780411551.db2.gz XDHUXFJKXDHKBO-OVOMLPQRSA-N 2 1 270.381 -1.731 20 0 CAADMP [NH3+][C@@H]1NCN(C(=O)[C@@H]2C[C@@H]3CC[NH2+]C[C@H]3O2)[C@H]2NCN[C@@H]21 ZINC001221265820 780411591 /nfs/dbraw/zinc/41/15/91/780411591.db2.gz PVARLEFXHHDMDE-WGWHJZDNSA-N 2 1 296.375 -2.728 20 0 CAADMP [NH3+][C@@H]1NCN(C(=O)C2CC[NH2+]CC2)[C@@H]2NCN[C@@H]21 ZINC001221265391 780411715 /nfs/dbraw/zinc/41/17/15/780411715.db2.gz LGJFLBBETATCEX-BBBLOLIVSA-N 2 1 254.338 -2.495 20 0 CAADMP CC(C)(C)[C@H]([NH3+])CC(=O)N1CN[C@H]([NH3+])[C@H]2NCN[C@@H]21 ZINC001221265354 780411845 /nfs/dbraw/zinc/41/18/45/780411845.db2.gz KMYSHBZHCVFARV-CZULRBLNSA-N 2 1 270.381 -1.731 20 0 CAADMP CC[C@H](C)[C@@H]([NH3+])CC(=O)N1CN[C@H]([NH3+])[C@H]2NCN[C@@H]21 ZINC001221266565 780411994 /nfs/dbraw/zinc/41/19/94/780411994.db2.gz XDHUXFJKXDHKBO-YOCAVLTLSA-N 2 1 270.381 -1.731 20 0 CAADMP [NH3+][C@@H]1NCN(C(=O)[C@@H]2C[C@@H](F)CC[NH2+]2)[C@@H]2NCN[C@H]21 ZINC001221265329 780412025 /nfs/dbraw/zinc/41/20/25/780412025.db2.gz KFBXJJVBMHOGLQ-WLRJLXCNSA-N 2 1 272.328 -2.404 20 0 CAADMP Nc1cn(C(=O)[C@@H]([NH3+])CSCC[NH3+])c(N)nc1=O ZINC001221330657 780414777 /nfs/dbraw/zinc/41/47/77/780414777.db2.gz PNXFMJOWGHGNIS-LURJTMIESA-N 2 1 272.334 -1.690 20 0 CAADMP N[C@H](CN1CCC([NH3+])CC1)C(=O)NCCCC[NH3+] ZINC001221348929 780417191 /nfs/dbraw/zinc/41/71/91/780417191.db2.gz MDOSEDRSMRBCMZ-LLVKDONJSA-N 2 1 257.382 -1.408 20 0 CAADMP CC1(C)C(=O)NC[C@@H]1NC(=O)C[NH2+]C1CC[NH2+]CC1 ZINC001221370999 780419070 /nfs/dbraw/zinc/41/90/70/780419070.db2.gz VJRJWHRZWBBLDP-JTQLQIEISA-N 2 1 268.361 -1.031 20 0 CAADMP COC(=O)[C@@H]([NH3+])CCC(=O)NC1(CO)CC[NH+](C)CC1 ZINC001221402332 780420313 /nfs/dbraw/zinc/42/03/13/780420313.db2.gz DDTYVDGUBQIJMG-JTQLQIEISA-N 2 1 287.360 -1.160 20 0 CAADMP C[NH+]1CCC(CO)(NC(=O)[C@@H]2C[C@@H](N)C[NH2+]2)CC1 ZINC001221403758 780420669 /nfs/dbraw/zinc/42/06/69/780420669.db2.gz WVSHMULRMNCDMO-ZJUUUORDSA-N 2 1 256.350 -1.752 20 0 CAADMP C[NH+]1CCC(CO)(NC(=O)[C@@H]([NH3+])Cc2c[nH]cn2)CC1 ZINC001221402421 780420742 /nfs/dbraw/zinc/42/07/42/780420742.db2.gz GVCHNYGQDFWOKE-NSHDSACASA-N 2 1 281.360 -1.148 20 0 CAADMP Cc1nc(CNC(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)n[nH]1 ZINC001221410743 780421451 /nfs/dbraw/zinc/42/14/51/780421451.db2.gz YZXVYJORJILDND-QMMMGPOBSA-N 2 1 250.306 -1.462 20 0 CAADMP Cc1nc(CNC(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)n[nH]1 ZINC001221410742 780421466 /nfs/dbraw/zinc/42/14/66/780421466.db2.gz YZXVYJORJILDND-MRVPVSSYSA-N 2 1 250.306 -1.462 20 0 CAADMP C[NH+](C)CCC(=O)NC1CC[NH+](CC(=O)NC(N)=O)CC1 ZINC001228991090 780452809 /nfs/dbraw/zinc/45/28/09/780452809.db2.gz COZGUNBLEKLCKV-UHFFFAOYSA-N 2 1 299.375 -1.286 20 0 CAADMP Cn1cc(CN2CC[NH2+]C[C@@]23CC[NH2+]C3)c(=O)n(C)c1=O ZINC001234987589 780489162 /nfs/dbraw/zinc/48/91/62/780489162.db2.gz HPAGCLRYQSGZRV-AWEZNQCLSA-N 2 1 293.371 -1.779 20 0 CAADMP CNC(=O)CN1CCO[C@H]2C[N@@H+](CCCC[NH3+])C[C@H]21 ZINC001235552136 780492746 /nfs/dbraw/zinc/49/27/46/780492746.db2.gz LMKAJNJMKTVEKP-NEPJUHHUSA-N 2 1 270.377 -1.144 20 0 CAADMP [NH3+]C12CC(C[NH+]3CCNCC[NH2+]CCNCC3)(C1)C2 ZINC001235869944 780493934 /nfs/dbraw/zinc/49/39/34/780493934.db2.gz LOAAHLIMYQQVEL-UHFFFAOYSA-N 3 1 267.421 -1.048 20 0 CAADMP C([C@H]1[C@@H]2C[NH2+]C[C@H]12)N1CC[NH2+]CCNCC[NH2+]CC1 ZINC001235870110 780494949 /nfs/dbraw/zinc/49/49/49/780494949.db2.gz NPXGNHDHOKEMCH-WDNDVIMCSA-N 3 1 267.421 -1.464 20 0 CAADMP C(C[NH+]1CCNCC[NH2+]CCNCC1)C1C[NH2+]C1 ZINC001235871620 780495782 /nfs/dbraw/zinc/49/57/82/780495782.db2.gz VLDMGMDLISYZOI-UHFFFAOYSA-N 3 1 255.410 -1.320 20 0 CAADMP [NH3+]CCCNC(=O)C[N@H+](CCC[NH3+])CCCCO ZINC001236310247 780496992 /nfs/dbraw/zinc/49/69/92/780496992.db2.gz WDURUNITFCNNPC-UHFFFAOYSA-N 3 1 260.382 -1.125 20 0 CAADMP [NH3+]CCCNC(=O)C[N@@H+](CCC[NH3+])CCCCO ZINC001236310247 780496995 /nfs/dbraw/zinc/49/69/95/780496995.db2.gz WDURUNITFCNNPC-UHFFFAOYSA-N 3 1 260.382 -1.125 20 0 CAADMP CNC(=O)C[NH+]1CCC2(CC1)NC(=O)[C@@H]1C[N@H+](C)C[C@H]12 ZINC001278010853 780497863 /nfs/dbraw/zinc/49/78/63/780497863.db2.gz AFNJGGCLYPCXSO-GHMZBOCLSA-N 2 1 280.372 -1.125 20 0 CAADMP CNC(=O)C[NH+]1CCC2(CC1)NC(=O)[C@@H]1C[N@@H+](C)C[C@H]12 ZINC001278010853 780497867 /nfs/dbraw/zinc/49/78/67/780497867.db2.gz AFNJGGCLYPCXSO-GHMZBOCLSA-N 2 1 280.372 -1.125 20 0 CAADMP [NH3+]CCS(=O)(=O)NCC[NH+]1CCC(O)CC1 ZINC000722280398 780497934 /nfs/dbraw/zinc/49/79/34/780497934.db2.gz LDSJFADUEFBBQU-UHFFFAOYSA-N 2 1 251.352 -1.679 20 0 CAADMP COC(=O)[C@H]1CN(Cc2cnc3n2CC[NH2+]C3)C[C@@H]1[NH3+] ZINC001236362702 780497994 /nfs/dbraw/zinc/49/79/94/780497994.db2.gz UCLAIXLXBLYUHP-QWRGUYRKSA-N 2 1 279.344 -1.082 20 0 CAADMP CC(C)[NH2+][C@H](CO)CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001278061349 780502137 /nfs/dbraw/zinc/50/21/37/780502137.db2.gz KODFYGGJZPLWSY-QWRGUYRKSA-N 2 1 259.350 -1.208 20 0 CAADMP CC(C)[NH2+][C@H](CO)CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001278061349 780502143 /nfs/dbraw/zinc/50/21/43/780502143.db2.gz KODFYGGJZPLWSY-QWRGUYRKSA-N 2 1 259.350 -1.208 20 0 CAADMP C[N@H+]1CCCC[C@H]1C(=O)NC[C@H](CO)[NH2+]CCO ZINC001278139975 780509431 /nfs/dbraw/zinc/50/94/31/780509431.db2.gz XBCZFXWNVTZWGJ-MNOVXSKESA-N 2 1 259.350 -1.470 20 0 CAADMP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@H](CO)[NH2+]CCCO)C1 ZINC001278201726 780514516 /nfs/dbraw/zinc/51/45/16/780514516.db2.gz JMFZMCCGKZSZFF-VXGBXAGGSA-N 2 1 289.376 -1.844 20 0 CAADMP CC[N@H+]1CCO[C@@H](C(=O)NC[C@H](CO)[NH2+]CCCO)C1 ZINC001278201726 780514525 /nfs/dbraw/zinc/51/45/25/780514525.db2.gz JMFZMCCGKZSZFF-VXGBXAGGSA-N 2 1 289.376 -1.844 20 0 CAADMP CC[N@H+]1CCO[C@@H]2CN(S(=O)(=O)CC[NH3+])C[C@@H]2C1 ZINC001239080647 780529660 /nfs/dbraw/zinc/52/96/60/780529660.db2.gz CDVPALQAGLVDAS-WDEREUQCSA-N 2 1 277.390 -1.073 20 0 CAADMP O=C1CC[NH2+]C[C@H]1NC[C@@H](O)CC1(O)CC[NH2+]CC1 ZINC001245993931 780539482 /nfs/dbraw/zinc/53/94/82/780539482.db2.gz JFGAVIUWYKVGRE-WDEREUQCSA-N 2 1 271.361 -1.628 20 0 CAADMP O=C1CCNC[C@H]1[NH2+]C[C@@H](O)CC1(O)CC[NH2+]CC1 ZINC001245993931 780539489 /nfs/dbraw/zinc/53/94/89/780539489.db2.gz JFGAVIUWYKVGRE-WDEREUQCSA-N 2 1 271.361 -1.628 20 0 CAADMP O[C@@H](C[NH2+][C@@H]1CC12C[NH2+]C2)CC1(O)CC[NH2+]CC1 ZINC001246010352 780539758 /nfs/dbraw/zinc/53/97/58/780539758.db2.gz MTSLAGXJTPUARV-GHMZBOCLSA-N 3 1 255.362 -1.197 20 0 CAADMP COC(=O)[C@H](O)C[NH2+]C[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001245984757 780539671 /nfs/dbraw/zinc/53/96/71/780539671.db2.gz JVBVWWRCRJHHEI-WDEREUQCSA-N 2 1 271.361 -1.016 20 0 CAADMP COC(=O)[C@@H](O)C[NH2+]C[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001245984755 780539858 /nfs/dbraw/zinc/53/98/58/780539858.db2.gz JVBVWWRCRJHHEI-QWRGUYRKSA-N 2 1 271.361 -1.016 20 0 CAADMP OC1(CN2CC[NH2+]C[C@@]23CC[NH2+]C3)CC[NH2+]CC1 ZINC001246027516 780540577 /nfs/dbraw/zinc/54/05/77/780540577.db2.gz KUENCGZFYVGJNH-LBPRGKRZSA-N 3 1 254.378 -1.262 20 0 CAADMP [NH3+]C[C@]1(O)CCCC[N@@H+](C[C@@H](O)CN2CCOCC2)C1 ZINC001246022424 780540675 /nfs/dbraw/zinc/54/06/75/780540675.db2.gz NUWHUEKWCXHDEH-UONOGXRCSA-N 2 1 287.404 -1.145 20 0 CAADMP O[C@H](CN1CCOCC1)C[N@H+]1CCNC2(CC[NH2+]CC2)C1 ZINC001246030004 780540696 /nfs/dbraw/zinc/54/06/96/780540696.db2.gz NPOJNHZSSIPIBG-CQSZACIVSA-N 2 1 298.431 -1.293 20 0 CAADMP O[C@@]1(CN2CC[NH2+]C[C@@]23CC[NH2+]C3)CCC[NH2+]C1 ZINC001246025313 780540897 /nfs/dbraw/zinc/54/08/97/780540897.db2.gz HEDZHYOIHQDSPM-STQMWFEESA-N 3 1 254.378 -1.262 20 0 CAADMP COC(=O)[C@@H](O)C[N@H+]1CCNC2(CC[NH2+]CC2)C1 ZINC001246033357 780540956 /nfs/dbraw/zinc/54/09/56/780540956.db2.gz VGLNKCJZGBECFD-JTQLQIEISA-N 2 1 257.334 -1.452 20 0 CAADMP COC(=O)[C@H]1C[N@@H+](CC2(O)CC[NH2+]CC2)C[C@@H]1N ZINC001246049440 780540992 /nfs/dbraw/zinc/54/09/92/780540992.db2.gz AYYYDKYRRMFKAH-UWVGGRQHSA-N 2 1 257.334 -1.467 20 0 CAADMP COC(=O)[C@H]1CN(CC2(O)CC[NH2+]CC2)C[C@@H]1[NH3+] ZINC001246049440 780540997 /nfs/dbraw/zinc/54/09/97/780540997.db2.gz AYYYDKYRRMFKAH-UWVGGRQHSA-N 2 1 257.334 -1.467 20 0 CAADMP O[C@@H](CN1CCOCC1)CN1CC[NH2+]C[C@]12CC[NH2+]C2 ZINC001246027604 780541100 /nfs/dbraw/zinc/54/11/00/780541100.db2.gz KURPWDFANYQFSS-UONOGXRCSA-N 2 1 284.404 -1.683 20 0 CAADMP O[C@@]1(CN2CC[NH2+][C@H]3CC[NH2+]CC[C@@H]32)CC[NH2+]C1 ZINC001246022387 780541297 /nfs/dbraw/zinc/54/12/97/780541297.db2.gz JPQCWXLXJDXRHE-AVGNSLFASA-N 3 1 254.378 -1.263 20 0 CAADMP COC(=O)[C@@H]1C[N@@H+](CC2(O)CC[NH2+]CC2)C[C@H]1N ZINC001246049435 780541425 /nfs/dbraw/zinc/54/14/25/780541425.db2.gz AYYYDKYRRMFKAH-NXEZZACHSA-N 2 1 257.334 -1.467 20 0 CAADMP COC(=O)[C@@H]1CN(CC2(O)CC[NH2+]CC2)C[C@H]1[NH3+] ZINC001246049435 780541435 /nfs/dbraw/zinc/54/14/35/780541435.db2.gz AYYYDKYRRMFKAH-NXEZZACHSA-N 2 1 257.334 -1.467 20 0 CAADMP COC(=O)[C@@H]1C[N@@H+](CC2(O)CC[NH2+]CC2)C[C@@H]1N ZINC001246049447 780541515 /nfs/dbraw/zinc/54/15/15/780541515.db2.gz AYYYDKYRRMFKAH-ZJUUUORDSA-N 2 1 257.334 -1.467 20 0 CAADMP COC(=O)[C@@H]1CN(CC2(O)CC[NH2+]CC2)C[C@@H]1[NH3+] ZINC001246049447 780541521 /nfs/dbraw/zinc/54/15/21/780541521.db2.gz AYYYDKYRRMFKAH-ZJUUUORDSA-N 2 1 257.334 -1.467 20 0 CAADMP OC1(C[N@H+]2CCN[C@@]3(CC[NH2+]C3)C2)CC[NH2+]CC1 ZINC001246026912 780541620 /nfs/dbraw/zinc/54/16/20/780541620.db2.gz OFTDERKTBYAVHZ-GFCCVEGCSA-N 3 1 254.378 -1.262 20 0 CAADMP OC1(CN2CCN[C@@]3(CC[NH2+]C3)C2)CC[NH2+]CC1 ZINC001246026912 780541625 /nfs/dbraw/zinc/54/16/25/780541625.db2.gz OFTDERKTBYAVHZ-GFCCVEGCSA-N 2 1 254.378 -1.262 20 0 CAADMP COC(=O)[C@H](O)CN1CC[NH2+][C@H]2CC[NH2+]CC[C@@H]21 ZINC001246026842 780541789 /nfs/dbraw/zinc/54/17/89/780541789.db2.gz VDMNUQWRCUGRMV-GARJFASQSA-N 2 1 257.334 -1.454 20 0 CAADMP [NH3+]C[C@@]1(O)CCCC[N@@H+](C[C@H](O)CN2CCOCC2)C1 ZINC001246022422 780541845 /nfs/dbraw/zinc/54/18/45/780541845.db2.gz NUWHUEKWCXHDEH-KGLIPLIRSA-N 2 1 287.404 -1.145 20 0 CAADMP O[C@]1(CN2CC[NH2+]C[C@@]23CC[NH2+]C3)CCC[NH2+]C1 ZINC001246025312 780541901 /nfs/dbraw/zinc/54/19/01/780541901.db2.gz HEDZHYOIHQDSPM-QWHCGFSZSA-N 3 1 254.378 -1.262 20 0 CAADMP [NH3+]C[C@@]1(O)CCC[N@@H+](C[C@@H](O)CN2CCOCC2)CC1 ZINC001246021268 780541921 /nfs/dbraw/zinc/54/19/21/780541921.db2.gz NLVRGHWSUOROQP-ZIAGYGMSSA-N 2 1 287.404 -1.145 20 0 CAADMP CCOC[C@@H](O)C[NH+]1CCNCC[NH2+]CCNCC1 ZINC001246058544 780542877 /nfs/dbraw/zinc/54/28/77/780542877.db2.gz WSJDSEJYWQZOFQ-ZDUSSCGKSA-N 2 1 274.409 -1.532 20 0 CAADMP OC1(CN2CC[NH2+]CCNCC[NH2+]CC2)CC[NH2+]CC1 ZINC001246058435 780543102 /nfs/dbraw/zinc/54/31/02/780543102.db2.gz VJGCWKJKPJQOGB-UHFFFAOYSA-N 3 1 285.436 -1.815 20 0 CAADMP CS(=O)(=O)N(CC[NH3+])[C@@H]1CC[NH2+]C2(CNC2)C1 ZINC001246087588 780544373 /nfs/dbraw/zinc/54/43/73/780544373.db2.gz ZADFMQNFPNSFAY-SECBINFHSA-N 2 1 262.379 -1.699 20 0 CAADMP O=S(=O)(CCN[C@H]1CCC[NH2+]C1)N1CC[NH2+]CC1 ZINC001246102219 780544390 /nfs/dbraw/zinc/54/43/90/780544390.db2.gz RYIMCQVOYPGADB-NSHDSACASA-N 2 1 276.406 -1.437 20 0 CAADMP O=C(CC[NH2+][C@@H]1CCNC2(C[NH2+]C2)C1)N1CCNCC1 ZINC001246105393 780544580 /nfs/dbraw/zinc/54/45/80/780544580.db2.gz BGSQCRNTZWHKBR-GFCCVEGCSA-N 2 1 281.404 -1.508 20 0 CAADMP C[C@@H]1C[C@@H](NCCS(=O)(=O)N2CC[NH2+]CC2)CC[NH2+]1 ZINC001246100777 780544793 /nfs/dbraw/zinc/54/47/93/780544793.db2.gz NTKWLIFOKYHTAY-NEPJUHHUSA-N 2 1 290.433 -1.049 20 0 CAADMP C([NH2+][C@H]1CCNC2(C[NH2+]C2)C1)[C@@]12CN[C@@H](CO1)C2 ZINC001246150931 780545218 /nfs/dbraw/zinc/54/52/18/780545218.db2.gz UUUYYEJLHINILV-LOWVWBTDSA-N 2 1 252.362 -1.199 20 0 CAADMP COC(=O)[C@@H]1C[C@@H]([NH2+]C[C@]23C[NH2+]C[C@H]2COC3)CN1 ZINC001246134023 780545378 /nfs/dbraw/zinc/54/53/78/780545378.db2.gz LPQLULRLVSZGNO-NOHGZBONSA-N 2 1 269.345 -1.285 20 0 CAADMP COC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CO[C@@H]3C[NH2+]C[C@H]23)CN1 ZINC001246136950 780545431 /nfs/dbraw/zinc/54/54/31/780545431.db2.gz GYRGTWIYKDQJEH-RNWYCLNJSA-N 2 1 269.345 -1.144 20 0 CAADMP C1[NH2+]CC12C[C@@H]([NH2+][C@@H]1CN[C@@H]3COC[C@@H]31)CCN2 ZINC001246133921 780546153 /nfs/dbraw/zinc/54/61/53/780546153.db2.gz KTCFEQIORRHMPR-IRCOFANPSA-N 2 1 252.362 -1.343 20 0 CAADMP COC(=O)[C@@H]1CC[C@H]([NH2+][C@H]2CO[C@@H]3C[NH2+]C[C@H]23)CN1 ZINC001246146340 780546232 /nfs/dbraw/zinc/54/62/32/780546232.db2.gz GYRGTWIYKDQJEH-KZZRWZIVSA-N 2 1 269.345 -1.144 20 0 CAADMP CN([C@@H]1CC[NH2+]C2(CNC2)C1)S(=O)(=O)CC[NH3+] ZINC001246184785 780547097 /nfs/dbraw/zinc/54/70/97/780547097.db2.gz OCWWBNCYSDALIV-SECBINFHSA-N 2 1 262.379 -1.699 20 0 CAADMP CN([C@H]1CC[NH2+]C2(CNC2)C1)S(=O)(=O)CC[NH3+] ZINC001246184787 780547230 /nfs/dbraw/zinc/54/72/30/780547230.db2.gz OCWWBNCYSDALIV-VIFPVBQESA-N 2 1 262.379 -1.699 20 0 CAADMP COC(=O)[C@@H]1C[C@@H](N2CCN(CC[NH3+])CC2)C[NH2+]1 ZINC001246199079 780548503 /nfs/dbraw/zinc/54/85/03/780548503.db2.gz ICCTWJPVLUULFN-MNOVXSKESA-N 2 1 256.350 -1.534 20 0 CAADMP COC(=O)[C@@H]1CC[C@@H]([NH2+][C@@H]2CC[NH2+]C[C@@H]2O)CN1 ZINC001246218157 780548521 /nfs/dbraw/zinc/54/85/21/780548521.db2.gz MXRXECUWBFQVOE-ZNSHCXBVSA-N 2 1 257.334 -1.408 20 0 CAADMP CCOC(=O)CN(CC[NH3+])[C@@H]1C[NH2+][C@H](C(=O)OC)C1 ZINC001246306379 780551129 /nfs/dbraw/zinc/55/11/29/780551129.db2.gz UOSZTORDMPENDF-UWVGGRQHSA-N 2 1 273.333 -1.286 20 0 CAADMP COC(=O)[C@@H]1C[C@H](N2CCN(CCC[NH3+])CC2)C[NH2+]1 ZINC001246265696 780551377 /nfs/dbraw/zinc/55/13/77/780551377.db2.gz PXSYZWFYHAOXEA-RYUDHWBXSA-N 2 1 270.377 -1.144 20 0 CAADMP COC(=O)[C@@H]1C[NH2+]CC[C@@H]1[NH2+][C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246332085 780552220 /nfs/dbraw/zinc/55/22/20/780552220.db2.gz YXTMCWNLSYDVOR-TUAOUCFPSA-N 3 1 282.388 -1.179 20 0 CAADMP CC[C@]1(C(=O)OC)C[C@H](N[C@H]2C[NH2+]C[C@@H]2CO)C[NH2+]1 ZINC001246312460 780552331 /nfs/dbraw/zinc/55/23/31/780552331.db2.gz XRJIAAZDSVOIJD-MPPDQPJWSA-N 2 1 271.361 -1.160 20 0 CAADMP CC[C@]1(C(=O)OC)C[C@H](N[C@@H]2C[NH2+]C[C@H]2CO)C[NH2+]1 ZINC001246312458 780552528 /nfs/dbraw/zinc/55/25/28/780552528.db2.gz XRJIAAZDSVOIJD-MEWQQHAOSA-N 2 1 271.361 -1.160 20 0 CAADMP COC(=O)[C@@H]1C[C@@H]([NH2+]CCN2CC[NH2+]CC2=O)CN1 ZINC001246356305 780552615 /nfs/dbraw/zinc/55/26/15/780552615.db2.gz NFAXBAIVGDZIPA-ZJUUUORDSA-N 2 1 270.333 -2.089 20 0 CAADMP CC[C@]1(C(=O)OC)C[C@H](N[C@@H]2C[NH2+]C[C@@H]2CO)C[NH2+]1 ZINC001246312457 780552775 /nfs/dbraw/zinc/55/27/75/780552775.db2.gz XRJIAAZDSVOIJD-LSCVPOLPSA-N 2 1 271.361 -1.160 20 0 CAADMP COC(=O)[C@H]1C[C@@H](NCCC[NH2+]CCC[NH3+])CN1 ZINC001246451471 780553474 /nfs/dbraw/zinc/55/34/74/780553474.db2.gz HGXQREQOCHCXPT-GHMZBOCLSA-N 2 1 258.366 -1.192 20 0 CAADMP COC(=O)[C@@H]1C[C@@H](NCCC[NH2+]CCC[NH3+])CN1 ZINC001246451473 780553637 /nfs/dbraw/zinc/55/36/37/780553637.db2.gz HGXQREQOCHCXPT-MNOVXSKESA-N 2 1 258.366 -1.192 20 0 CAADMP [NH3+]CCNCC[NH2+][C@H]1CN[C@H](C(=O)N2CCSC2)C1 ZINC001246403811 780553845 /nfs/dbraw/zinc/55/38/45/780553845.db2.gz IAYUWFMUGHGRAM-MNOVXSKESA-N 2 1 287.433 -1.612 20 0 CAADMP [NH3+][C@@H]1NCN(C2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@H]2NCN[C@@H]21 ZINC001246460256 780553904 /nfs/dbraw/zinc/55/39/04/780553904.db2.gz FEEAUAADLARCTF-GUIYYRJESA-N 2 1 252.366 -1.738 20 0 CAADMP COC(=O)[C@@H]1C[C@H]([NH2+]CCC[N@H+](C)CCO)CN1 ZINC001246491112 780554845 /nfs/dbraw/zinc/55/48/45/780554845.db2.gz OCFRKUCWRNYLEB-QWRGUYRKSA-N 2 1 259.350 -1.206 20 0 CAADMP COC(=O)[C@@H]1C[C@H]([NH2+]CCC[N@@H+](C)CCO)CN1 ZINC001246491112 780554851 /nfs/dbraw/zinc/55/48/51/780554851.db2.gz OCFRKUCWRNYLEB-QWRGUYRKSA-N 2 1 259.350 -1.206 20 0 CAADMP O=C([C@@H]1C[C@@H](NC[C@H]2CNCC[NH2+]2)C[NH2+]1)N1CCSC1 ZINC001246493680 780554925 /nfs/dbraw/zinc/55/49/25/780554925.db2.gz ZAGVDECNEUHEJJ-UTUOFQBUSA-N 2 1 299.444 -1.599 20 0 CAADMP C[N@@H+](CCO)CCC[NH2+][C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246495584 780555307 /nfs/dbraw/zinc/55/53/07/780555307.db2.gz ZBLGSQZTUYMGQV-LBPRGKRZSA-N 3 1 256.394 -1.016 20 0 CAADMP CN(CCO)CCC[NH2+][C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246495584 780555312 /nfs/dbraw/zinc/55/53/12/780555312.db2.gz ZBLGSQZTUYMGQV-LBPRGKRZSA-N 2 1 256.394 -1.016 20 0 CAADMP O=C([C@@H]1C[C@@H](NC[C@@H]2CNCC[NH2+]2)C[NH2+]1)N1CCSC1 ZINC001246493681 780555775 /nfs/dbraw/zinc/55/57/75/780555775.db2.gz ZAGVDECNEUHEJJ-WOPDTQHZSA-N 2 1 299.444 -1.599 20 0 CAADMP CC[C@@]1(C(=O)OC)C[C@@H](N2C[C@@H]([NH3+])[C@H](O)C2)C[NH2+]1 ZINC001246555413 780556346 /nfs/dbraw/zinc/55/63/46/780556346.db2.gz GMZJYYIQIIUMOU-BFLSOPEQSA-N 2 1 257.334 -1.326 20 0 CAADMP COC(=O)[C@@H]1C[C@H]([N@@H+]2CC[C@@H]([NH3+])[C@H](O)C2)CCN1 ZINC001246557211 780556466 /nfs/dbraw/zinc/55/64/66/780556466.db2.gz GGGWQYFUUMWUQQ-CHWFTXMASA-N 2 1 257.334 -1.326 20 0 CAADMP COC(=O)[C@@H]1C[C@H]([N@H+]2CC[C@@H]([NH3+])[C@H](O)C2)CCN1 ZINC001246557211 780556470 /nfs/dbraw/zinc/55/64/70/780556470.db2.gz GGGWQYFUUMWUQQ-CHWFTXMASA-N 2 1 257.334 -1.326 20 0 CAADMP COC(=O)[C@@H]1C[C@H](N(C)C[C@H]2C[NH2+]CCO2)C[NH2+]1 ZINC001246560183 780556705 /nfs/dbraw/zinc/55/67/05/780556705.db2.gz UXRVRNUVXUKLTL-AXFHLTTASA-N 2 1 257.334 -1.190 20 0 CAADMP COC(=O)[C@@H]1C[C@@H](N2CCO[C@@H](CC[NH3+])C2)C[NH2+]1 ZINC001246533065 780556721 /nfs/dbraw/zinc/55/67/21/780556721.db2.gz BSOYKCWTJZGXTN-VWYCJHECSA-N 2 1 257.334 -1.061 20 0 CAADMP OC[C@@H]1C[N@H+]([C@H]2CCNC3(C[NH2+]C3)C2)CC[C@H]1O ZINC001246588855 780556852 /nfs/dbraw/zinc/55/68/52/780556852.db2.gz LKQOEGAFYNXGMS-SDDRHHMPSA-N 2 1 255.362 -1.245 20 0 CAADMP OC[C@@H]1CC[N@H+]([C@H]2CCNC3(C[NH2+]C3)C2)C[C@@H]1O ZINC001246575498 780556917 /nfs/dbraw/zinc/55/69/17/780556917.db2.gz MPUCFURJRIZVPD-SRVKXCTJSA-N 2 1 255.362 -1.245 20 0 CAADMP COC(=O)[C@@H]1CC[C@@H]([N@@H+]2C[C@H](O)[C@@H](C[NH3+])C2)CN1 ZINC001246578326 780557036 /nfs/dbraw/zinc/55/70/36/780557036.db2.gz AVAPPDRYQSJKTE-VLEAKVRGSA-N 2 1 257.334 -1.469 20 0 CAADMP COC(=O)[C@@H]1CC[C@@H]([N@H+]2C[C@H](O)[C@@H](C[NH3+])C2)CN1 ZINC001246578326 780557040 /nfs/dbraw/zinc/55/70/40/780557040.db2.gz AVAPPDRYQSJKTE-VLEAKVRGSA-N 2 1 257.334 -1.469 20 0 CAADMP COC(=O)[C@@H]1C[C@H](N2CCO[C@H](CC[NH3+])C2)C[NH2+]1 ZINC001246533062 780557069 /nfs/dbraw/zinc/55/70/69/780557069.db2.gz BSOYKCWTJZGXTN-AXFHLTTASA-N 2 1 257.334 -1.061 20 0 CAADMP CC[C@]1(C(=O)OC)C[C@@H](N2C[C@H](O)[C@@H](C[NH3+])C2)C[NH2+]1 ZINC001246585054 780557084 /nfs/dbraw/zinc/55/70/84/780557084.db2.gz OATNLBUKOOPFGE-SRRSOLGSSA-N 2 1 271.361 -1.079 20 0 CAADMP COC(=O)[C@@H]1C[C@H](N(C)C[C@@H]2C[NH2+]CCO2)C[NH2+]1 ZINC001246560185 780557261 /nfs/dbraw/zinc/55/72/61/780557261.db2.gz UXRVRNUVXUKLTL-DCAQKATOSA-N 2 1 257.334 -1.190 20 0 CAADMP C1[NH2+]CC12C[C@H]([N@H+]1CCN[C@@]3(CC[NH2+]C3)C1)CCN2 ZINC001246645140 780559656 /nfs/dbraw/zinc/55/96/56/780559656.db2.gz UANIJWTZZNOTCE-CHWSQXEVSA-N 3 1 265.405 -1.282 20 0 CAADMP C1[NH2+]CC12C[C@H](N1CCN[C@@]3(CC[NH2+]C3)C1)CCN2 ZINC001246645140 780559658 /nfs/dbraw/zinc/55/96/58/780559658.db2.gz UANIJWTZZNOTCE-CHWSQXEVSA-N 2 1 265.405 -1.282 20 0 CAADMP COC(=O)[C@@H]1C[C@H](N2CCO[C@@]3(C2)C[NH2+]CCOC3)C[NH2+]1 ZINC001246632485 780559789 /nfs/dbraw/zinc/55/97/89/780559789.db2.gz VSJJLOZBHVOYMF-SGMGOOAPSA-N 2 1 299.371 -1.419 20 0 CAADMP COC(=O)[C@@H]1C[C@@H](N2CC[NH2+]C[C@H]2C(=O)OC)C[NH2+]1 ZINC001246627790 780559843 /nfs/dbraw/zinc/55/98/43/780559843.db2.gz XKBCBRAGZXXDRO-UTLUCORTSA-N 2 1 271.317 -1.663 20 0 CAADMP COC(=O)[C@@H]1C[C@H](N2CC[C@@H]3OCC[NH2+][C@H]3C2)C[NH2+]1 ZINC001246658230 780559861 /nfs/dbraw/zinc/55/98/61/780559861.db2.gz PQMJEQSYYUZCCK-BJDJZHNGSA-N 2 1 269.345 -1.047 20 0 CAADMP COC(=O)[C@H]1C[C@H](N2CC[NH2+]C[C@]23CC[NH2+]C3)CN1 ZINC001246627257 780559963 /nfs/dbraw/zinc/55/99/63/780559963.db2.gz UWCQIFLANKQCPQ-DMDPSCGWSA-N 2 1 268.361 -1.473 20 0 CAADMP COC(=O)[C@@H]1C[C@@H](N2C[C@H]3C[NH2+]C[C@@]3(CO)C2)C[NH2+]1 ZINC001246634152 780560065 /nfs/dbraw/zinc/56/00/65/780560065.db2.gz ARGFTSKQDPJIBC-DCQANWLSSA-N 2 1 269.345 -1.596 20 0 CAADMP COC(=O)[C@H]1C[C@H](N2CCN[C@@]3(CC[NH2+]C3)C2)C[NH2+]1 ZINC001246646691 780560622 /nfs/dbraw/zinc/56/06/22/780560622.db2.gz XITLCYDGTADVAI-DMDPSCGWSA-N 2 1 268.361 -1.473 20 0 CAADMP COC(=O)[C@@H]1C[C@H](N2CCO[C@H]3C[NH2+]CC[C@@H]32)C[NH2+]1 ZINC001246658754 780560719 /nfs/dbraw/zinc/56/07/19/780560719.db2.gz ANCRUCHOOVWEHO-BJDJZHNGSA-N 2 1 269.345 -1.047 20 0 CAADMP COC(=O)[C@@H](O)C[N@@H+](C)CCN1CC[NH+](C)CC1 ZINC001252420166 780585883 /nfs/dbraw/zinc/58/58/83/780585883.db2.gz JVDRFJKOVNVNKQ-NSHDSACASA-N 2 1 259.350 -1.301 20 0 CAADMP COC(=O)[C@H]1C[N@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)CCN1 ZINC001246691820 780561053 /nfs/dbraw/zinc/56/10/53/780561053.db2.gz GAQKNQRZLHSSRD-GHMZBOCLSA-N 2 1 268.361 -1.473 20 0 CAADMP C1[NH2+]CC12C[C@@H]([N@@H+]1C[C@H]3CNC[C@@H](C1)O3)CCN2 ZINC001246680058 780561483 /nfs/dbraw/zinc/56/14/83/780561483.db2.gz SNXXQCMUDIXNRI-SDDRHHMPSA-N 2 1 252.362 -1.247 20 0 CAADMP C1[NH2+]CC12C[C@@H](N1C[C@H]3C[NH2+]C[C@@H](C1)O3)CCN2 ZINC001246680058 780561490 /nfs/dbraw/zinc/56/14/90/780561490.db2.gz SNXXQCMUDIXNRI-SDDRHHMPSA-N 2 1 252.362 -1.247 20 0 CAADMP NC(=O)[C@H]1C[N@H+]([C@H]2CCNC3(C[NH2+]C3)C2)CCN1 ZINC001246799322 780561683 /nfs/dbraw/zinc/56/16/83/780561683.db2.gz YEGBWZGTUIFDST-VHSXEESVSA-N 2 1 253.350 -2.161 20 0 CAADMP COC(=O)C[C@H]1CNCC[N@@H+]1[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246811932 780561729 /nfs/dbraw/zinc/56/17/29/780561729.db2.gz AGYRNWRDDMRWSN-NEPJUHHUSA-N 2 1 282.388 -1.083 20 0 CAADMP COC(=O)C[C@H]1CNCC[N@H+]1[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246811932 780561733 /nfs/dbraw/zinc/56/17/33/780561733.db2.gz AGYRNWRDDMRWSN-NEPJUHHUSA-N 2 1 282.388 -1.083 20 0 CAADMP NC(=O)[C@@H]1C[N@H+]([C@H]2CCNC3(C[NH2+]C3)C2)CCN1 ZINC001246799320 780561777 /nfs/dbraw/zinc/56/17/77/780561777.db2.gz YEGBWZGTUIFDST-UWVGGRQHSA-N 2 1 253.350 -2.161 20 0 CAADMP COC(=O)[C@@H]1C[C@H](N2C[C@H]3COC[C@@H](C2)C3[NH3+])C[NH2+]1 ZINC001246858826 780562862 /nfs/dbraw/zinc/56/28/62/780562862.db2.gz ILELZMFUBKXERC-DHLNJSKSSA-N 2 1 269.345 -1.205 20 0 CAADMP O=C1C[C@@H](N2CC[NH2+]CCNCC[NH2+]CC2)CCN1 ZINC001246819055 780562900 /nfs/dbraw/zinc/56/29/00/780562900.db2.gz FRUQTGJUFQPCAE-LBPRGKRZSA-N 2 1 269.393 -1.651 20 0 CAADMP C[N@H+]1CC[C@H](N2CC[NH2+]CCNCC[NH2+]CC2)C1 ZINC001246819689 780562915 /nfs/dbraw/zinc/56/29/15/780562915.db2.gz HQIMGSBBLJWSIR-ZDUSSCGKSA-N 3 1 255.410 -1.225 20 0 CAADMP COC(=O)[C@@H]1C[C@H](N2CC[NH2+]CCNCC[NH2+]CC2)C[NH2+]1 ZINC001246822839 780562926 /nfs/dbraw/zinc/56/29/26/780562926.db2.gz SVZUPXORDNOPSX-STQMWFEESA-N 3 1 299.419 -2.026 20 0 CAADMP C1[NH2+]CC12C[C@H]([NH+]1CCNCC[NH2+]CCNCC1)CCO2 ZINC001246823226 780563042 /nfs/dbraw/zinc/56/30/42/780563042.db2.gz URLYNYLNWSFNLF-CQSZACIVSA-N 3 1 297.447 -1.408 20 0 CAADMP CC[C@]1(C(=O)OC)C[C@H](N(CC[NH3+])CC[NH3+])C[NH2+]1 ZINC001246830678 780563365 /nfs/dbraw/zinc/56/33/65/780563365.db2.gz LJWJVIOSPPLMKF-CMPLNLGQSA-N 3 1 258.366 -1.111 20 0 CAADMP COC(=O)[C@H]1C[C@H](N2CC[NH2+]CCNCC[NH2+]CC2)C[NH2+]1 ZINC001246822835 780563442 /nfs/dbraw/zinc/56/34/42/780563442.db2.gz SVZUPXORDNOPSX-QWHCGFSZSA-N 3 1 299.419 -2.026 20 0 CAADMP O=C1COC[C@H]2C[N@H+]([C@H]3CCNC4(C[NH2+]C4)C3)CCN12 ZINC001246872329 780564005 /nfs/dbraw/zinc/56/40/05/780564005.db2.gz ROUCLEUGWFLHAW-NWDGAFQWSA-N 2 1 280.372 -1.377 20 0 CAADMP COC(=O)[C@@H]1C[C@@H]([N@@H+](C)CCN2CC[NH2+]CC2)CN1 ZINC001246869581 780564054 /nfs/dbraw/zinc/56/40/54/780564054.db2.gz GEXMANKGGGSCRN-NEPJUHHUSA-N 2 1 270.377 -1.273 20 0 CAADMP COC(=O)[C@@H]1C[C@@H]([N@@H+]2CCC[C@@H](N3CC([NH3+])C3)C2)CN1 ZINC001246875251 780564204 /nfs/dbraw/zinc/56/42/04/780564204.db2.gz ZPJSJDMWBNAQPB-UPJWGTAASA-N 2 1 282.388 -1.003 20 0 CAADMP COC(=O)[C@@H]1C[C@@H]([N@H+]2CCC[C@@H](N3CC([NH3+])C3)C2)CN1 ZINC001246875251 780564217 /nfs/dbraw/zinc/56/42/17/780564217.db2.gz ZPJSJDMWBNAQPB-UPJWGTAASA-N 2 1 282.388 -1.003 20 0 CAADMP COC(=O)[C@@H]1C[C@H]([N@@H+](C)CCN2CC[NH2+]CC2)CN1 ZINC001246869594 780564296 /nfs/dbraw/zinc/56/42/96/780564296.db2.gz GEXMANKGGGSCRN-RYUDHWBXSA-N 2 1 270.377 -1.273 20 0 CAADMP C[N@@H+](CCN1CC[NH2+]CC1)[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246871855 780564340 /nfs/dbraw/zinc/56/43/40/780564340.db2.gz NNSQHHKPQXWBDA-ZDUSSCGKSA-N 3 1 267.421 -1.083 20 0 CAADMP COC(=O)[C@H]1C[C@@H](N2C[C@H]([NH3+])C[C@H]2C(=O)OC)C[NH2+]1 ZINC001246909998 780564358 /nfs/dbraw/zinc/56/43/58/780564358.db2.gz YZZGOXRBDSKNDL-KYXWUPHJSA-N 2 1 271.317 -1.536 20 0 CAADMP COC(=O)[C@@H]1C[N@H+]([C@@H]2CCOC3(C[NH2+]C3)C2)C[C@@H]1N ZINC001246929939 780564628 /nfs/dbraw/zinc/56/46/28/780564628.db2.gz ITBUPACFQRVUEY-MXWKQRLJSA-N 2 1 269.345 -1.061 20 0 CAADMP COC(=O)[C@@H]1CN([C@@H]2CCOC3(C[NH2+]C3)C2)C[C@@H]1[NH3+] ZINC001246929939 780564635 /nfs/dbraw/zinc/56/46/35/780564635.db2.gz ITBUPACFQRVUEY-MXWKQRLJSA-N 2 1 269.345 -1.061 20 0 CAADMP COC(=O)[C@@H]1C[C@@H](N2CC[NH2+][C@@H](CCO)C2)C[NH2+]1 ZINC001246871343 780564694 /nfs/dbraw/zinc/56/46/94/780564694.db2.gz QJXONOIPXPAXDW-AXFHLTTASA-N 2 1 257.334 -1.454 20 0 CAADMP OCC[C@H]1C[N@@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)CCN1 ZINC001246869215 780564774 /nfs/dbraw/zinc/56/47/74/780564774.db2.gz FVVIJJXXODWLMN-NWDGAFQWSA-N 2 1 254.378 -1.263 20 0 CAADMP OCC[C@H]1C[N@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)CCN1 ZINC001246869215 780564778 /nfs/dbraw/zinc/56/47/78/780564778.db2.gz FVVIJJXXODWLMN-NWDGAFQWSA-N 2 1 254.378 -1.263 20 0 CAADMP COC(=O)[C@@H]1C[C@H]([N@@H+]2CCC[C@@H](N3CC([NH3+])C3)C2)CN1 ZINC001246875247 780564789 /nfs/dbraw/zinc/56/47/89/780564789.db2.gz ZPJSJDMWBNAQPB-AGIUHOORSA-N 2 1 282.388 -1.003 20 0 CAADMP COC(=O)[C@@H]1C[C@H]([N@H+]2CCC[C@@H](N3CC([NH3+])C3)C2)CN1 ZINC001246875247 780564790 /nfs/dbraw/zinc/56/47/90/780564790.db2.gz ZPJSJDMWBNAQPB-AGIUHOORSA-N 2 1 282.388 -1.003 20 0 CAADMP COC(=O)[C@@H]1C[C@@H](N2C[C@@H]([NH3+])C[C@H]2C(=O)OC)C[NH2+]1 ZINC001246909997 780564806 /nfs/dbraw/zinc/56/48/06/780564806.db2.gz YZZGOXRBDSKNDL-JXUBOQSCSA-N 2 1 271.317 -1.536 20 0 CAADMP COC(=O)[C@@H]1C[N@H+]([C@H]2CCNC3(C[NH2+]C3)C2)C[C@@H]1N ZINC001246929774 780564909 /nfs/dbraw/zinc/56/49/09/780564909.db2.gz HQAHSXIRMJHCLW-AXFHLTTASA-N 2 1 268.361 -1.488 20 0 CAADMP COC(=O)[C@@H]1CN([C@H]2CCNC3(C[NH2+]C3)C2)C[C@@H]1[NH3+] ZINC001246929774 780564910 /nfs/dbraw/zinc/56/49/10/780564910.db2.gz HQAHSXIRMJHCLW-AXFHLTTASA-N 2 1 268.361 -1.488 20 0 CAADMP COC(=O)[C@@H]1C[C@H]([N@@H+]2CCC[C@H](N3CC([NH3+])C3)C2)CN1 ZINC001246875248 780564938 /nfs/dbraw/zinc/56/49/38/780564938.db2.gz ZPJSJDMWBNAQPB-AVGNSLFASA-N 2 1 282.388 -1.003 20 0 CAADMP COC(=O)[C@@H]1C[C@H]([N@H+]2CCC[C@H](N3CC([NH3+])C3)C2)CN1 ZINC001246875248 780564939 /nfs/dbraw/zinc/56/49/39/780564939.db2.gz ZPJSJDMWBNAQPB-AVGNSLFASA-N 2 1 282.388 -1.003 20 0 CAADMP COC(=O)[C@@H]1CN([C@H]2C[NH2+][C@H](C(=O)OC)C2)C[C@@H]1[NH3+] ZINC001246930148 780564962 /nfs/dbraw/zinc/56/49/62/780564962.db2.gz KAIMVGGWUFRWTG-IMSYWVGJSA-N 2 1 271.317 -1.678 20 0 CAADMP COC(=O)[C@H]1C[C@H](N2C[C@@H](C(=O)OC)[C@H]([NH3+])C2)C[NH2+]1 ZINC001246930153 780565099 /nfs/dbraw/zinc/56/50/99/780565099.db2.gz KAIMVGGWUFRWTG-SGIHWFKDSA-N 2 1 271.317 -1.678 20 0 CAADMP COC(=O)[C@@H]1C[N@H+]([C@H]2CCNC3(C[NH2+]C3)C2)CCN1C ZINC001246867618 780565157 /nfs/dbraw/zinc/56/51/57/780565157.db2.gz JLZUHWXIEFHZPH-RYUDHWBXSA-N 2 1 282.388 -1.131 20 0 CAADMP COC(=O)[C@@H]1C[N@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)CCN1C ZINC001246867615 780565181 /nfs/dbraw/zinc/56/51/81/780565181.db2.gz JLZUHWXIEFHZPH-NEPJUHHUSA-N 2 1 282.388 -1.131 20 0 CAADMP COC(=O)[C@@H]1C[C@@H](N2C[C@@H]([NH3+])C3(COC3)C2)C[NH2+]1 ZINC001246993316 780565656 /nfs/dbraw/zinc/56/56/56/780565656.db2.gz ZRISXADROZBUAW-KXUCPTDWSA-N 2 1 255.318 -1.451 20 0 CAADMP COC(=O)[C@@H]1C[C@@H](N(C)[C@H]2C[NH2+]C[C@@H]2OC)C[NH2+]1 ZINC001246988094 780566139 /nfs/dbraw/zinc/56/61/39/780566139.db2.gz IKACJQFEGCYBGT-RCWTZXSCSA-N 2 1 257.334 -1.192 20 0 CAADMP COC(=O)[C@@H]1C[C@H](N2C[C@H]([NH3+])C3(COC3)C2)C[NH2+]1 ZINC001246993313 780566620 /nfs/dbraw/zinc/56/66/20/780566620.db2.gz ZRISXADROZBUAW-GUBZILKMSA-N 2 1 255.318 -1.451 20 0 CAADMP C[N@@H+](CCO)CCC[NH2+]C[C@@H](O)CN1CCOCC1 ZINC001251047742 780572700 /nfs/dbraw/zinc/57/27/00/780572700.db2.gz XMRSIAFKXRIBST-CYBMUJFWSA-N 2 1 275.393 -1.417 20 0 CAADMP C[N@@H+](CCO)CCC[NH2+]C[C@H](O)CN1CCOCC1 ZINC001251047745 780573542 /nfs/dbraw/zinc/57/35/42/780573542.db2.gz XMRSIAFKXRIBST-ZDUSSCGKSA-N 2 1 275.393 -1.417 20 0 CAADMP CCOC[C@H](O)C[NH2+]CCC[NH+](CCO)CCO ZINC001252042733 780581324 /nfs/dbraw/zinc/58/13/24/780581324.db2.gz VLGKTKJQLRRZKC-GFCCVEGCSA-N 2 1 264.366 -1.350 20 0 CAADMP C[NH+](C)CC(=O)N[C@@H]1CCC[N@H+](C[C@H](O)CO)C1 ZINC001252063113 780582732 /nfs/dbraw/zinc/58/27/32/780582732.db2.gz ZNNHXLWXLGDDII-MNOVXSKESA-N 2 1 259.350 -1.518 20 0 CAADMP C[NH+](C)CC(=O)N[C@@H]1CCC[N@@H+](C[C@H](O)CO)C1 ZINC001252063113 780582736 /nfs/dbraw/zinc/58/27/36/780582736.db2.gz ZNNHXLWXLGDDII-MNOVXSKESA-N 2 1 259.350 -1.518 20 0 CAADMP COC(=O)[C@H](O)C[N@@H+](C)CCN1CC[NH+](C)CC1 ZINC001252420155 780585767 /nfs/dbraw/zinc/58/57/67/780585767.db2.gz JVDRFJKOVNVNKQ-LLVKDONJSA-N 2 1 259.350 -1.301 20 0 CAADMP COC(=O)[C@@H](O)C[N@@H+]1CCC(=O)N(CC[NH+](C)C)CC1 ZINC001252427292 780585825 /nfs/dbraw/zinc/58/58/25/780585825.db2.gz HJSPIXPWLAJWKI-NSHDSACASA-N 2 1 287.360 -1.384 20 0 CAADMP CC[NH+](CC)C[C@H](O)C[NH2+]C[C@H]1CNC(=O)CO1 ZINC001253208757 780591890 /nfs/dbraw/zinc/59/18/90/780591890.db2.gz SUAVBRXDOHVJAW-MNOVXSKESA-N 2 1 259.350 -1.206 20 0 CAADMP CC[NH+](CC)C[C@@H](O)C[NH2+]C[C@H]1CNC(=O)CO1 ZINC001253208764 780592669 /nfs/dbraw/zinc/59/26/69/780592669.db2.gz SUAVBRXDOHVJAW-QWRGUYRKSA-N 2 1 259.350 -1.206 20 0 CAADMP C[C@@H]1[C@H](C(=O)N(C)C[C@@H](O)C[NH2+]CCO)CC[N@H+]1C ZINC001278757009 780597238 /nfs/dbraw/zinc/59/72/38/780597238.db2.gz YALFXEWQWMJMMJ-GRYCIOLGSA-N 2 1 273.377 -1.272 20 0 CAADMP CN(C[C@H](O)C[NH2+]CCO)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001278833667 780611143 /nfs/dbraw/zinc/61/11/43/780611143.db2.gz VNIQMNXFNLEQFC-GHMZBOCLSA-N 2 1 259.350 -1.661 20 0 CAADMP CN(C[C@@H](O)C[NH2+]CCO)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001278833668 780611243 /nfs/dbraw/zinc/61/12/43/780611243.db2.gz VNIQMNXFNLEQFC-MNOVXSKESA-N 2 1 259.350 -1.661 20 0 CAADMP CN(C[C@@H](O)C[NH2+]CCO)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001278833669 780611251 /nfs/dbraw/zinc/61/12/51/780611251.db2.gz VNIQMNXFNLEQFC-QWRGUYRKSA-N 2 1 259.350 -1.661 20 0 CAADMP COC(=O)[C@H](C[NH3+])C[NH2+]C1CCS(=O)(=O)CC1 ZINC001256376774 780623776 /nfs/dbraw/zinc/62/37/76/780623776.db2.gz BQFNKBHSUHWAIP-MRVPVSSYSA-N 2 1 264.347 -1.099 20 0 CAADMP CCC[NH+]1CCC(N2CN[C@H]([NH3+])[C@@H]3NCN[C@H]32)CC1 ZINC001258770126 780634865 /nfs/dbraw/zinc/63/48/65/780634865.db2.gz DJWLKBHXVBNQCS-AVGNSLFASA-N 2 1 268.409 -1.147 20 0 CAADMP CCC[NH+]1CCC(N2CN[C@H]([NH3+])[C@H]3NCN[C@H]32)CC1 ZINC001258770121 780634986 /nfs/dbraw/zinc/63/49/86/780634986.db2.gz DJWLKBHXVBNQCS-AGIUHOORSA-N 2 1 268.409 -1.147 20 0 CAADMP C[NH+](C)C[C@H](O)C[NH2+]C[C@@H](O)C[C@]1(O)CCOC1 ZINC001262489659 780712037 /nfs/dbraw/zinc/71/20/37/780712037.db2.gz FPQRSZZOJSBSNL-QJPTWQEYSA-N 2 1 262.350 -1.599 20 0 CAADMP CN(CCC[NH+]1CCN(C)CC1)C(=O)[C@@H]1C[NH2+]CCN1C ZINC001263113403 780721739 /nfs/dbraw/zinc/72/17/39/780721739.db2.gz HZMADEBKWSIHDH-AWEZNQCLSA-N 2 1 297.447 -1.014 20 0 CAADMP CC[N@@H+]1CCO[C@H](C(=O)N(C)C[C@@H](O)C[NH2+]C)C1 ZINC001263170276 780722231 /nfs/dbraw/zinc/72/22/31/780722231.db2.gz MNKUDJCGNXMRNH-QWRGUYRKSA-N 2 1 259.350 -1.254 20 0 CAADMP CC[N@H+]1CCO[C@H](C(=O)N(C)C[C@@H](O)C[NH2+]C)C1 ZINC001263170276 780722233 /nfs/dbraw/zinc/72/22/33/780722233.db2.gz MNKUDJCGNXMRNH-QWRGUYRKSA-N 2 1 259.350 -1.254 20 0 CAADMP CC[N@@H+]1CCO[C@@H](C(=O)N(C)C[C@H](O)C[NH2+]C)C1 ZINC001263170274 780722396 /nfs/dbraw/zinc/72/23/96/780722396.db2.gz MNKUDJCGNXMRNH-GHMZBOCLSA-N 2 1 259.350 -1.254 20 0 CAADMP CC[N@H+]1CCO[C@@H](C(=O)N(C)C[C@H](O)C[NH2+]C)C1 ZINC001263170274 780722400 /nfs/dbraw/zinc/72/24/00/780722400.db2.gz MNKUDJCGNXMRNH-GHMZBOCLSA-N 2 1 259.350 -1.254 20 0 CAADMP CN1CC[NH2+]C[C@@H]1C(=O)N1CCN(C)CC[N@@H+](C)CC1 ZINC001263245791 780724620 /nfs/dbraw/zinc/72/46/20/780724620.db2.gz VFTJJKCOWXIDRA-CYBMUJFWSA-N 2 1 283.420 -1.404 20 0 CAADMP CN1CCN(C(=O)C[C@H](O)C[NH3+])CC[N@@H+](C)CC1 ZINC001263245611 780725125 /nfs/dbraw/zinc/72/51/25/780725125.db2.gz OWLUAZFRRIXYJF-NSHDSACASA-N 2 1 258.366 -1.598 20 0 CAADMP C[C@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)[NH2+]CC(N)=O ZINC001265761150 780757433 /nfs/dbraw/zinc/75/74/33/780757433.db2.gz OLUJAKAAQFYOKJ-BDAKNGLRSA-N 2 1 258.322 -2.103 20 0 CAADMP C[C@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)[NH2+]CC(N)=O ZINC001265761150 780757436 /nfs/dbraw/zinc/75/74/36/780757436.db2.gz OLUJAKAAQFYOKJ-BDAKNGLRSA-N 2 1 258.322 -2.103 20 0 CAADMP C[C@H](CCNC(=O)[C@@H]1CC[N@@H+](C)C1)[NH2+]CC(N)=O ZINC001266190042 780771721 /nfs/dbraw/zinc/77/17/21/780771721.db2.gz XTYKKSAAKLQFGB-NXEZZACHSA-N 2 1 256.350 -1.092 20 0 CAADMP CN(CCOCC[NH2+]CCO)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001279392032 780773659 /nfs/dbraw/zinc/77/36/59/780773659.db2.gz GPTZPEXTZBXYKM-LBPRGKRZSA-N 2 1 289.376 -1.626 20 0 CAADMP CN(CCOCC[NH2+]CCO)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001279392032 780773667 /nfs/dbraw/zinc/77/36/67/780773667.db2.gz GPTZPEXTZBXYKM-LBPRGKRZSA-N 2 1 289.376 -1.626 20 0 CAADMP C[C@H](O)C[NH2+]CCN(CCO)C(=O)[C@H]1CCC[N@H+]1C ZINC001279672020 780775274 /nfs/dbraw/zinc/77/52/74/780775274.db2.gz AFHUJMUVOKLCQN-NWDGAFQWSA-N 2 1 273.377 -1.128 20 0 CAADMP C[C@H](O)C[NH2+]CCN(CCO)C(=O)[C@@H]1CCC[N@H+]1C ZINC001279672021 780775595 /nfs/dbraw/zinc/77/55/95/780775595.db2.gz AFHUJMUVOKLCQN-RYUDHWBXSA-N 2 1 273.377 -1.128 20 0 CAADMP C[C@@H](O)C[NH2+]CCN(CCO)C(=O)[C@H]1CCC[N@H+]1C ZINC001279672023 780775771 /nfs/dbraw/zinc/77/57/71/780775771.db2.gz AFHUJMUVOKLCQN-VXGBXAGGSA-N 2 1 273.377 -1.128 20 0 CAADMP C[N@H+](CCO)CCOCCNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001283364246 780851778 /nfs/dbraw/zinc/85/17/78/780851778.db2.gz XJBIEUJEEUPFIK-GFCCVEGCSA-N 2 1 289.376 -1.626 20 0 CAADMP C[N@@H+](CCO)CCOCCNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001283364246 780851787 /nfs/dbraw/zinc/85/17/87/780851787.db2.gz XJBIEUJEEUPFIK-GFCCVEGCSA-N 2 1 289.376 -1.626 20 0 CAADMP C[NH+](CCO)CCOCCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001283364246 780851796 /nfs/dbraw/zinc/85/17/96/780851796.db2.gz XJBIEUJEEUPFIK-GFCCVEGCSA-N 2 1 289.376 -1.626 20 0 CAADMP C[NH+](CCO)CCOCCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001283364246 780851805 /nfs/dbraw/zinc/85/18/05/780851805.db2.gz XJBIEUJEEUPFIK-GFCCVEGCSA-N 2 1 289.376 -1.626 20 0 CAADMP CCOCC[NH2+][C@@H](CO)CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001283743674 780860253 /nfs/dbraw/zinc/86/02/53/780860253.db2.gz SUQZKCMPMJHPIV-NEPJUHHUSA-N 2 1 289.376 -1.580 20 0 CAADMP CCOCC[NH2+][C@@H](CO)CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001283743674 780860257 /nfs/dbraw/zinc/86/02/57/780860257.db2.gz SUQZKCMPMJHPIV-NEPJUHHUSA-N 2 1 289.376 -1.580 20 0 CAADMP CN1CC[C@H]([NH2+]CCNC(=O)CC[NH+]2CCOCC2)C1=O ZINC001135340937 781362009 /nfs/dbraw/zinc/36/20/09/781362009.db2.gz LRTODTLCQHBNHW-LBPRGKRZSA-N 2 1 298.387 -1.355 20 0 CAADMP CN1CC[C@@H]([NH2+]CCNC(=O)CC[NH+]2CCOCC2)C1=O ZINC001135340910 781362196 /nfs/dbraw/zinc/36/21/96/781362196.db2.gz LRTODTLCQHBNHW-GFCCVEGCSA-N 2 1 298.387 -1.355 20 0 CAADMP CNC(=O)C[NH2+]CCNC(=O)CC[NH+]1CCOCC1 ZINC001135336947 781363142 /nfs/dbraw/zinc/36/31/42/781363142.db2.gz PTSARUDUJNBYFA-UHFFFAOYSA-N 2 1 272.349 -1.840 20 0 CAADMP O=C(CC[NH+]1CCOCC1)NCC[NH2+]CC(=O)NC1CC1 ZINC001135349859 781363978 /nfs/dbraw/zinc/36/39/78/781363978.db2.gz GIQMVCCFMOBNET-UHFFFAOYSA-N 2 1 298.387 -1.307 20 0 CAADMP CN(C)C(=O)C[NH2+]CCNC(=O)CC[NH+]1CCOCC1 ZINC001135349853 781364002 /nfs/dbraw/zinc/36/40/02/781364002.db2.gz GCYOJYPUQTWLGB-UHFFFAOYSA-N 2 1 286.376 -1.497 20 0 CAADMP C[C@H](O)C[NH2+]CCNC(=O)CC[NH+]1CCOCC1 ZINC001135352607 781364016 /nfs/dbraw/zinc/36/40/16/781364016.db2.gz JXZQQVCZJCJGFA-NSHDSACASA-N 2 1 259.350 -1.205 20 0 CAADMP [NH3+][C@@H]1CC[N@@H+](C[C@H](O)CN2CCOCC2)C[C@H]1O ZINC001246020684 781398912 /nfs/dbraw/zinc/39/89/12/781398912.db2.gz JNPACLDNBNFNPV-IJLUTSLNSA-N 2 1 259.350 -1.927 20 0 CAADMP [NH3+][C@@H]1CC[N@H+](C[C@H](O)CN2CCOCC2)C[C@H]1O ZINC001246020684 781398907 /nfs/dbraw/zinc/39/89/07/781398907.db2.gz JNPACLDNBNFNPV-IJLUTSLNSA-N 2 1 259.350 -1.927 20 0 CAADMP OCC1([NH2+][C@H]2CCNC3(C[NH2+]C3)C2)CCNCC1 ZINC001246109329 781405373 /nfs/dbraw/zinc/40/53/73/781405373.db2.gz AVEHMHJXXFYJER-NSHDSACASA-N 2 1 254.378 -1.216 20 0 CAADMP C[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CCO)C[C@@H]2O)CC1 ZINC001090537694 781407804 /nfs/dbraw/zinc/40/78/04/781407804.db2.gz NATZNXMAUIGHND-STQMWFEESA-N 2 1 285.388 -1.128 20 0 CAADMP C[N@@H+](CC(=O)NCCC[NH2+]CC(=O)NC(N)=O)C1CCC1 ZINC001159997330 781411734 /nfs/dbraw/zinc/41/17/34/781411734.db2.gz MFEFAEMZXKSJGW-UHFFFAOYSA-N 2 1 299.375 -1.239 20 0 CAADMP OCC[NH+](CCO)CCC[NH2+][C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246159728 781411773 /nfs/dbraw/zinc/41/17/73/781411773.db2.gz BVXWZFWTEXGGOL-ZDUSSCGKSA-N 3 1 286.420 -1.653 20 0 CAADMP O=C(Cc1c[nH]cn1)N[C@H]1CC[N@H+](CCO)C[C@H]1O ZINC001090601478 781412124 /nfs/dbraw/zinc/41/21/24/781412124.db2.gz RSVVIZDCKGVBNA-WDEREUQCSA-N 2 1 268.317 -1.504 20 0 CAADMP COC(=O)[C@H](C[NH3+])C[NH2+][C@@H]1CN[C@H](C(=O)OC)C1 ZINC001246236244 781419981 /nfs/dbraw/zinc/41/99/81/781419981.db2.gz OLPGIEFPGRNMAY-VGMNWLOBSA-N 2 1 259.306 -1.773 20 0 CAADMP COC(=O)[C@@H](C[NH3+])C[NH2+][C@H]1CN[C@H](C(=O)OC)C1 ZINC001246236245 781420315 /nfs/dbraw/zinc/42/03/15/781420315.db2.gz OLPGIEFPGRNMAY-YIZRAAEISA-N 2 1 259.306 -1.773 20 0 CAADMP COC(=O)[C@@H](CN)C[NH2+][C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246236631 781420884 /nfs/dbraw/zinc/42/08/84/781420884.db2.gz PYXHDGQHHOFNQD-UWVGGRQHSA-N 2 1 256.350 -1.582 20 0 CAADMP O=C(N[C@@H]1CC[N@H+](CCO)C[C@H]1O)C12CC[NH+](CC1)C2 ZINC001090730180 781426595 /nfs/dbraw/zinc/42/65/95/781426595.db2.gz HSHWWLXGYQPWMN-VXGBXAGGSA-N 2 1 283.372 -1.374 20 0 CAADMP O=C(N[C@@H]1CC[N@H+](CCO)C[C@@H]1O)C12CC[NH+](CC1)C2 ZINC001090730177 781426730 /nfs/dbraw/zinc/42/67/30/781426730.db2.gz HSHWWLXGYQPWMN-NEPJUHHUSA-N 2 1 283.372 -1.374 20 0 CAADMP O=C(C[NH+]1CCCC1)N[C@@H]1CC[N@H+](CCO)C[C@@H]1O ZINC001090816533 781435979 /nfs/dbraw/zinc/43/59/79/781435979.db2.gz PGABEIHHWWEMAQ-NEPJUHHUSA-N 2 1 271.361 -1.374 20 0 CAADMP COC(=O)[C@H]1C[C@H](NCCC[NH2+]CCC[NH3+])CN1 ZINC001246451478 781438126 /nfs/dbraw/zinc/43/81/26/781438126.db2.gz HGXQREQOCHCXPT-WDEREUQCSA-N 2 1 258.366 -1.192 20 0 CAADMP C[N@@H+]1CCO[C@@H](C(=O)NCC2CC([NH2+]CCO)C2)C1 ZINC001090970859 781442638 /nfs/dbraw/zinc/44/26/38/781442638.db2.gz NJLSKCHVPPGFGT-HTAVTVPLSA-N 2 1 271.361 -1.206 20 0 CAADMP C[N@H+]1CCO[C@@H](C(=O)NCC2CC([NH2+]CCO)C2)C1 ZINC001090970859 781442648 /nfs/dbraw/zinc/44/26/48/781442648.db2.gz NJLSKCHVPPGFGT-HTAVTVPLSA-N 2 1 271.361 -1.206 20 0 CAADMP C[N@@H+]1CCO[C@@H](C(=O)NCC2CC([NH2+]CC(N)=O)C2)C1 ZINC001090970938 781443313 /nfs/dbraw/zinc/44/33/13/781443313.db2.gz NRWFVYHIKKSXPA-VQXHTEKXSA-N 2 1 284.360 -1.713 20 0 CAADMP C[N@H+]1CCO[C@@H](C(=O)NCC2CC([NH2+]CC(N)=O)C2)C1 ZINC001090970938 781443316 /nfs/dbraw/zinc/44/33/16/781443316.db2.gz NRWFVYHIKKSXPA-VQXHTEKXSA-N 2 1 284.360 -1.713 20 0 CAADMP CN(CC(=O)N1CC([N@@H+](C)[C@H]2CCOC2)C1)C(N)=[NH2+] ZINC001144136979 781444504 /nfs/dbraw/zinc/44/45/04/781444504.db2.gz OXRNIAPPIUFQEG-VIFPVBQESA-N 2 1 269.349 -1.257 20 0 CAADMP CN(CC(=O)NCC[NH+]1CC2(COC2)C1)C(N)=[NH2+] ZINC001144142952 781444553 /nfs/dbraw/zinc/44/45/53/781444553.db2.gz QUXWFOGPZNDYDS-UHFFFAOYSA-N 2 1 255.322 -1.740 20 0 CAADMP COCC[NH+]1CCN(C(=O)CN(C)C(N)=[NH2+])CC1 ZINC001144131026 781445758 /nfs/dbraw/zinc/44/57/58/781445758.db2.gz RVWTUEREKBNNKU-UHFFFAOYSA-N 2 1 257.338 -1.398 20 0 CAADMP CCOC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CN(C)C(N)=[NH2+] ZINC001144149002 781446136 /nfs/dbraw/zinc/44/61/36/781446136.db2.gz AOGWAPZSUZDXSF-VIFPVBQESA-N 2 1 296.331 -1.175 20 0 CAADMP COC(=O)[C@@H]1C[C@@H](N(C)C[C@H]2C[NH2+]CCO2)C[NH2+]1 ZINC001246560187 781452386 /nfs/dbraw/zinc/45/23/86/781452386.db2.gz UXRVRNUVXUKLTL-MXWKQRLJSA-N 2 1 257.334 -1.190 20 0 CAADMP C[N@H+]1CC[C@@H](CC(=O)NCCC[NH2+]CC(N)=O)C1 ZINC001171218692 781463837 /nfs/dbraw/zinc/46/38/37/781463837.db2.gz RLZMIILHLBOPNI-JTQLQIEISA-N 2 1 256.350 -1.091 20 0 CAADMP CCOC(=O)[C@@H]1C[C@H]([N@H+]2C[C@H](O)[C@@H](C[NH3+])C2)CCN1 ZINC001246581600 781462362 /nfs/dbraw/zinc/46/23/62/781462362.db2.gz SDTOAUJPVXSQDG-USZNOCQGSA-N 2 1 271.361 -1.079 20 0 CAADMP NC[C@H]([NH3+])c1ccc(C(=O)N2CCO[C@H](C(N)=O)C2)cc1 ZINC001160705321 781463668 /nfs/dbraw/zinc/46/36/68/781463668.db2.gz VGASXUPWFSDXIX-RYUDHWBXSA-N 2 1 292.339 -1.029 20 0 CAADMP COC(=O)[C@@H]1C[C@H]([N@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)CCN1 ZINC001246586050 781464125 /nfs/dbraw/zinc/46/41/25/781464125.db2.gz PVOKGGUOZPSTIM-ZRUFSTJUSA-N 2 1 257.334 -1.469 20 0 CAADMP COC(=O)[C@@H]1C[C@H]([N@H+]2CCNC3(CC[NH2+]CC3)C2)CN1 ZINC001246599709 781465469 /nfs/dbraw/zinc/46/54/69/781465469.db2.gz DGWUGDNUQYFXLM-RYUDHWBXSA-N 2 1 282.388 -1.083 20 0 CAADMP C[N@H+]1CC[C@@H](C(=O)NCC2CC([NH2+]CC(N)=O)C2)C1 ZINC001091364707 781475134 /nfs/dbraw/zinc/47/51/34/781475134.db2.gz LTGIOMOHOHSETF-HSOILSAZSA-N 2 1 268.361 -1.092 20 0 CAADMP O=S1(=O)CC[C@H](N2CC[NH2+]C[C@]23CC[NH2+]C3)C1 ZINC001246622060 781475603 /nfs/dbraw/zinc/47/56/03/781475603.db2.gz GDLPQVXTWNBTAL-WDEREUQCSA-N 2 1 259.375 -1.189 20 0 CAADMP COC(=O)[C@H]1C[C@H](N2CC[NH2+]C[C@@]23CC[NH2+]C3)CN1 ZINC001246627263 781476484 /nfs/dbraw/zinc/47/64/84/781476484.db2.gz UWCQIFLANKQCPQ-LOWVWBTDSA-N 2 1 268.361 -1.473 20 0 CAADMP CC[N@@H+]1CCO[C@@H](C(=O)NCC2CC([NH2+]CC(N)=O)C2)C1 ZINC001091374403 781476666 /nfs/dbraw/zinc/47/66/66/781476666.db2.gz YRMYYWDLSCONIO-HTAVTVPLSA-N 2 1 298.387 -1.323 20 0 CAADMP CC[N@H+]1CCO[C@@H](C(=O)NCC2CC([NH2+]CC(N)=O)C2)C1 ZINC001091374403 781476671 /nfs/dbraw/zinc/47/66/71/781476671.db2.gz YRMYYWDLSCONIO-HTAVTVPLSA-N 2 1 298.387 -1.323 20 0 CAADMP CC[N@@H+]1CCO[C@H](C(=O)NCC2CC([NH2+]CC(N)=O)C2)C1 ZINC001091374405 781476859 /nfs/dbraw/zinc/47/68/59/781476859.db2.gz YRMYYWDLSCONIO-MCIGGMRASA-N 2 1 298.387 -1.323 20 0 CAADMP CC[N@H+]1CCO[C@H](C(=O)NCC2CC([NH2+]CC(N)=O)C2)C1 ZINC001091374405 781476867 /nfs/dbraw/zinc/47/68/67/781476867.db2.gz YRMYYWDLSCONIO-MCIGGMRASA-N 2 1 298.387 -1.323 20 0 CAADMP COC(=O)[C@@H]1C[C@@H](N2CC[NH2+]C[C@@]23CC[NH2+]C3)CN1 ZINC001246627269 781477149 /nfs/dbraw/zinc/47/71/49/781477149.db2.gz UWCQIFLANKQCPQ-MDZLAQPJSA-N 2 1 268.361 -1.473 20 0 CAADMP COC(=O)[C@@H]1C[C@@H](N2CCN[C@@]3(CC[NH2+]C3)C2)C[NH2+]1 ZINC001246646730 781478271 /nfs/dbraw/zinc/47/82/71/781478271.db2.gz XITLCYDGTADVAI-NTZNESFSSA-N 2 1 268.361 -1.473 20 0 CAADMP C1[NH2+]CC12C[C@H]([N@H+]1CCN[C@]3(CC[NH2+]C3)C1)CCN2 ZINC001246645142 781478459 /nfs/dbraw/zinc/47/84/59/781478459.db2.gz UANIJWTZZNOTCE-OLZOCXBDSA-N 3 1 265.405 -1.282 20 0 CAADMP C1[NH2+]CC12C[C@H](N1CCN[C@]3(CC[NH2+]C3)C1)CCN2 ZINC001246645142 781478462 /nfs/dbraw/zinc/47/84/62/781478462.db2.gz UANIJWTZZNOTCE-OLZOCXBDSA-N 2 1 265.405 -1.282 20 0 CAADMP NC(=O)[C@H]1C[N@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)CCO1 ZINC001246839250 781483450 /nfs/dbraw/zinc/48/34/50/781483450.db2.gz CKHZQUZMLMDEIZ-NXEZZACHSA-N 2 1 254.334 -1.734 20 0 CAADMP NC(=O)[C@H]1C[N@H+]([C@H]2CCNC3(C[NH2+]C3)C2)CCO1 ZINC001246839261 781483896 /nfs/dbraw/zinc/48/38/96/781483896.db2.gz CKHZQUZMLMDEIZ-VHSXEESVSA-N 2 1 254.334 -1.734 20 0 CAADMP COC(=O)[C@@H]1C[C@@H](N2C[C@H]3COC[C@@H](C2)C3[NH3+])C[NH2+]1 ZINC001246858833 781485709 /nfs/dbraw/zinc/48/57/09/781485709.db2.gz ILELZMFUBKXERC-OGZKGVCFSA-N 2 1 269.345 -1.205 20 0 CAADMP CC[N@@H+](C)CCC(=O)NCC[NH2+][C@@H](C)C(=O)NC(N)=O ZINC001146711444 781490137 /nfs/dbraw/zinc/49/01/37/781490137.db2.gz SBFIQFUAGBIGIM-VIFPVBQESA-N 2 1 287.364 -1.383 20 0 CAADMP CC[N@@H+](C)CCC(=O)NCC[NH2+]CCNS(C)(=O)=O ZINC001146711162 781490257 /nfs/dbraw/zinc/49/02/57/781490257.db2.gz PWOOADVWVAYARM-UHFFFAOYSA-N 2 1 294.421 -1.417 20 0 CAADMP CC[N@@H+](C)CCC(=O)NCC[NH2+][C@H]1CCC(=O)NC1=O ZINC001146728257 781490960 /nfs/dbraw/zinc/49/09/60/781490960.db2.gz XDRBGZRZMVOEOH-JTQLQIEISA-N 2 1 284.360 -1.161 20 0 CAADMP N[C@@H]1C[NH2+][C@H](C(=O)N2CC(O)([C@@H]3CCCC[NH2+]3)C2)C1 ZINC001161009447 781494099 /nfs/dbraw/zinc/49/40/99/781494099.db2.gz VWKYPAWZHBICAU-DCAQKATOSA-N 2 1 268.361 -1.609 20 0 CAADMP N[C@H]1C[NH2+][C@H](C(=O)N2CC(O)([C@@H]3CCCC[NH2+]3)C2)C1 ZINC001161009462 781494393 /nfs/dbraw/zinc/49/43/93/781494393.db2.gz VWKYPAWZHBICAU-VWYCJHECSA-N 2 1 268.361 -1.609 20 0 CAADMP COC(=O)[C@H]1C[C@H](N2C[C@H]([NH3+])C[C@H]2C(=O)OC)C[NH2+]1 ZINC001246910001 781503219 /nfs/dbraw/zinc/50/32/19/781503219.db2.gz YZZGOXRBDSKNDL-RGOKHQFPSA-N 2 1 271.317 -1.536 20 0 CAADMP COC(=O)[C@@H]1C[C@H](N2CC[C@@]3(C2)C[NH2+]CCO3)C[NH2+]1 ZINC001246988405 781521537 /nfs/dbraw/zinc/52/15/37/781521537.db2.gz PWVQMKPJOXTXSA-GVXVVHGQSA-N 2 1 269.345 -1.046 20 0 CAADMP C[N@H+]1CC[C@@H](CC(=O)NCC[NH2+][C@H]2CCNC2=O)C1 ZINC001147886035 781523020 /nfs/dbraw/zinc/52/30/20/781523020.db2.gz RTNQEKDJUDHWMC-QWRGUYRKSA-N 2 1 268.361 -1.078 20 0 CAADMP C[N@H+]1CC[C@H](CC(=O)NCC[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001147885602 781523162 /nfs/dbraw/zinc/52/31/62/781523162.db2.gz NNLMFVXTEBKQGS-GHMZBOCLSA-N 2 1 296.371 -1.161 20 0 CAADMP C[C@@H]([NH2+]CCNC(=O)COCC[NH+](C)C)c1nnnn1C ZINC001147848223 781523369 /nfs/dbraw/zinc/52/33/69/781523369.db2.gz IQHWFDUDIXDOSJ-SNVBAGLBSA-N 2 1 299.379 -1.445 20 0 CAADMP COC(=O)[C@@H]1C[C@@H](N2CC[C@@]3(C2)C[NH2+]CCO3)C[NH2+]1 ZINC001246988408 781523591 /nfs/dbraw/zinc/52/35/91/781523591.db2.gz PWVQMKPJOXTXSA-MDZLAQPJSA-N 2 1 269.345 -1.046 20 0 CAADMP CNC(=O)NC(=O)C[NH2+]CCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001147886553 781523920 /nfs/dbraw/zinc/52/39/20/781523920.db2.gz XNGCYJVQCMUWDJ-JTQLQIEISA-N 2 1 299.375 -1.510 20 0 CAADMP CNC(=O)C[NH2+]CCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001147878110 781525189 /nfs/dbraw/zinc/52/51/89/781525189.db2.gz SAYZVOCGJSIQEZ-JTQLQIEISA-N 2 1 256.350 -1.220 20 0 CAADMP CNC(=O)C[NH2+]CCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001147878111 781525304 /nfs/dbraw/zinc/52/53/04/781525304.db2.gz SAYZVOCGJSIQEZ-SNVBAGLBSA-N 2 1 256.350 -1.220 20 0 CAADMP Cc1nnc(C[NH2+]CCNC(=O)COCC[NH+](C)C)[nH]1 ZINC001147884922 781525454 /nfs/dbraw/zinc/52/54/54/781525454.db2.gz IDWCHLCHKOFOAF-UHFFFAOYSA-N 2 1 284.364 -1.103 20 0 CAADMP C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N1C[C@@H]2CCC[N@@H+](C)[C@@H]2C1 ZINC001161085294 781526945 /nfs/dbraw/zinc/52/69/45/781526945.db2.gz SIKRGBZYYPKBDR-FIQHERPVSA-N 2 1 298.387 -1.637 20 0 CAADMP C[NH+](C)CCC(=O)N1CC2(C1)CC[N@H+](CC(N)=O)C2 ZINC001148209805 781530745 /nfs/dbraw/zinc/53/07/45/781530745.db2.gz AOSCXYMGMQZUML-UHFFFAOYSA-N 2 1 268.361 -1.042 20 0 CAADMP C[NH+](C)CCC(=O)N1CC2(C1)CC[N@@H+](CC(N)=O)C2 ZINC001148209805 781530751 /nfs/dbraw/zinc/53/07/51/781530751.db2.gz AOSCXYMGMQZUML-UHFFFAOYSA-N 2 1 268.361 -1.042 20 0 CAADMP CCC[N@@H+](C)CCC(=O)NCC[NH2+]CC(=O)NC(N)=O ZINC001148570668 781536867 /nfs/dbraw/zinc/53/68/67/781536867.db2.gz KASYMPUMMJVBAV-UHFFFAOYSA-N 2 1 287.364 -1.381 20 0 CAADMP CCC[N@@H+](C)CC(=O)NCC[NH2+]CCN1C(=O)CNC1=O ZINC001148642038 781536886 /nfs/dbraw/zinc/53/68/86/781536886.db2.gz CJFZVFBWTONLDA-UHFFFAOYSA-N 2 1 299.375 -1.414 20 0 CAADMP C[C@@]1(C(N)=O)CC[N@@H+](CC(=O)N2CC[NH2+]CC2)C1 ZINC000235431704 781536959 /nfs/dbraw/zinc/53/69/59/781536959.db2.gz YDVGDOVQUPYYIH-GFCCVEGCSA-N 2 1 254.334 -1.385 20 0 CAADMP CCC[N@@H+](C)CC(=O)NCC[NH2+][C@@H]1CCNC1=O ZINC001148638412 781538131 /nfs/dbraw/zinc/53/81/31/781538131.db2.gz HCOHIRDNNMIFOL-SNVBAGLBSA-N 2 1 256.350 -1.078 20 0 CAADMP CCC[N@@H+](C)CC(=O)NCC[NH2+]CC(=O)NC(=O)NC ZINC001148638463 781538505 /nfs/dbraw/zinc/53/85/05/781538505.db2.gz IAOMQBLYKRYTRJ-UHFFFAOYSA-N 2 1 287.364 -1.510 20 0 CAADMP C[C@@H]1C[N@H+](CCO)C[C@H]1CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001092523889 781548513 /nfs/dbraw/zinc/54/85/13/781548513.db2.gz MYXWFTBWKHEVDG-UPJWGTAASA-N 2 1 285.388 -1.007 20 0 CAADMP C[C@@H]1C[N@@H+](CCO)C[C@H]1CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001092523889 781548516 /nfs/dbraw/zinc/54/85/16/781548516.db2.gz MYXWFTBWKHEVDG-UPJWGTAASA-N 2 1 285.388 -1.007 20 0 CAADMP C[C@@H]1C[NH+](CCO)C[C@H]1CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001092523889 781548521 /nfs/dbraw/zinc/54/85/21/781548521.db2.gz MYXWFTBWKHEVDG-UPJWGTAASA-N 2 1 285.388 -1.007 20 0 CAADMP C[C@@H]1C[NH+](CCO)C[C@H]1CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001092523889 781548524 /nfs/dbraw/zinc/54/85/24/781548524.db2.gz MYXWFTBWKHEVDG-UPJWGTAASA-N 2 1 285.388 -1.007 20 0 CAADMP COC(=O)[C@@H]1C[C@H]([NH2+]C[C@@H](O)C[NH3+])C[C@@H]1C(=O)OC ZINC001173563106 781581650 /nfs/dbraw/zinc/58/16/50/781581650.db2.gz WJCHOQULXJHFJU-QEYWKRMJSA-N 2 1 274.317 -1.364 20 0 CAADMP C[N@H+]1CC[C@@H](C(=O)NCCC[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001176057707 781597085 /nfs/dbraw/zinc/59/70/85/781597085.db2.gz RMQZFFBESLLTMO-MNOVXSKESA-N 2 1 296.371 -1.161 20 0 CAADMP CNC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001176072467 781597518 /nfs/dbraw/zinc/59/75/18/781597518.db2.gz VJMOVKJSLHIGPT-JTQLQIEISA-N 2 1 299.375 -1.510 20 0 CAADMP C[C@H]([NH2+]CCCNC(=O)[C@@H]1CC[N@@H+](C)C1)C(=O)NC(N)=O ZINC001176096725 781597605 /nfs/dbraw/zinc/59/76/05/781597605.db2.gz YKRPDNIJSQDLJX-VHSXEESVSA-N 2 1 299.375 -1.383 20 0 CAADMP CNC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001176072468 781597611 /nfs/dbraw/zinc/59/76/11/781597611.db2.gz VJMOVKJSLHIGPT-SNVBAGLBSA-N 2 1 299.375 -1.510 20 0 CAADMP C[N@H+]1CC[C@H](C(=O)NCCC[NH2+]CC(=O)NC(N)=O)C1 ZINC001176056258 781597811 /nfs/dbraw/zinc/59/78/11/781597811.db2.gz DWSXMKVKMKLYEX-VIFPVBQESA-N 2 1 285.348 -1.771 20 0 CAADMP C[C@@H]([NH2+]CCCNC(=O)[C@H]1CC[N@@H+](C)C1)C(=O)NC(N)=O ZINC001176096726 781597965 /nfs/dbraw/zinc/59/79/65/781597965.db2.gz YKRPDNIJSQDLJX-ZJUUUORDSA-N 2 1 299.375 -1.383 20 0 CAADMP CC[N@@H+]1CCO[C@@H](C(=O)NCCC[NH2+]CCO)C1 ZINC001176637180 781603051 /nfs/dbraw/zinc/60/30/51/781603051.db2.gz YYMIHBYKFYGHJE-LLVKDONJSA-N 2 1 259.350 -1.205 20 0 CAADMP CC[N@H+]1CCO[C@@H](C(=O)NCCC[NH2+]CCO)C1 ZINC001176637180 781603056 /nfs/dbraw/zinc/60/30/56/781603056.db2.gz YYMIHBYKFYGHJE-LLVKDONJSA-N 2 1 259.350 -1.205 20 0 CAADMP CC[N@@H+]1CCO[C@H](C(=O)NCCC[NH2+]CC(N)=O)C1 ZINC001176643904 781603930 /nfs/dbraw/zinc/60/39/30/781603930.db2.gz JEYIKASOXNXILK-JTQLQIEISA-N 2 1 272.349 -1.712 20 0 CAADMP CC[N@H+]1CCO[C@H](C(=O)NCCC[NH2+]CC(N)=O)C1 ZINC001176643904 781603935 /nfs/dbraw/zinc/60/39/35/781603935.db2.gz JEYIKASOXNXILK-JTQLQIEISA-N 2 1 272.349 -1.712 20 0 CAADMP CC[N@@H+]1CCO[C@@H](C(=O)NCCC[NH2+]CC(N)=O)C1 ZINC001176643905 781604356 /nfs/dbraw/zinc/60/43/56/781604356.db2.gz JEYIKASOXNXILK-SNVBAGLBSA-N 2 1 272.349 -1.712 20 0 CAADMP CC[N@H+]1CCO[C@@H](C(=O)NCCC[NH2+]CC(N)=O)C1 ZINC001176643905 781604364 /nfs/dbraw/zinc/60/43/64/781604364.db2.gz JEYIKASOXNXILK-SNVBAGLBSA-N 2 1 272.349 -1.712 20 0 CAADMP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)Cc1nn[nH]n1 ZINC001176848923 781610514 /nfs/dbraw/zinc/61/05/14/781610514.db2.gz HIAYLHNAKSEWHX-UHFFFAOYSA-N 2 1 268.325 -1.194 20 0 CAADMP CC(C)[N@@H+](C)CC(=O)NCCC[NH2+]CC(=O)NC(N)=O ZINC001176972030 781612798 /nfs/dbraw/zinc/61/27/98/781612798.db2.gz LERMYYZZQMYNMZ-UHFFFAOYSA-N 2 1 287.364 -1.383 20 0 CAADMP C[NH+]1CCN(CC(=O)NC2(CO)CC[NH+](C)CC2)CC1 ZINC001178956183 781643095 /nfs/dbraw/zinc/64/30/95/781643095.db2.gz LRAIERUFYRDHIR-UHFFFAOYSA-N 2 1 284.404 -1.193 20 0 CAADMP C[NH+]1CCN(CC(=O)N(CCCC[NH3+])C(N)=[NH2+])CC1 ZINC001178954038 781643517 /nfs/dbraw/zinc/64/35/17/781643517.db2.gz UYRKXUNDAPMNLJ-UHFFFAOYSA-N 3 1 270.381 -1.305 20 0 CAADMP CCOC(=O)CN(CC[NH3+])C(=O)CN1CC[NH+](C)CC1 ZINC001178953475 781643831 /nfs/dbraw/zinc/64/38/31/781643831.db2.gz KVQOUMQDLOVJBX-UHFFFAOYSA-N 2 1 286.376 -1.416 20 0 CAADMP C[NH+]1CCN(CC(=O)NC(=N)SCC[NH3+])CC1 ZINC001178953907 781643897 /nfs/dbraw/zinc/64/38/97/781643897.db2.gz SFDOJSKFGHPGAX-UHFFFAOYSA-N 2 1 259.379 -1.023 20 0 CAADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)[C@@H]1C[NH2+]CCO1 ZINC000068807821 781645904 /nfs/dbraw/zinc/64/59/04/781645904.db2.gz AZSAAYLHCSZFET-MNOVXSKESA-N 2 1 256.350 -1.663 20 0 CAADMP [NH3+][C@@H]1NCN(C(=O)C23CC[NH+](CC2)CC3)[C@H]2NCN[C@@H]21 ZINC001181555960 781694663 /nfs/dbraw/zinc/69/46/63/781694663.db2.gz UVMKEVAIQHRAPM-GMTAPVOTSA-N 2 1 280.376 -2.009 20 0 CAADMP Cn1nnnc1C[NH2+]CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001151048633 781695524 /nfs/dbraw/zinc/69/55/24/781695524.db2.gz CUUGWMPMUITUCI-SECBINFHSA-N 2 1 267.337 -1.632 20 0 CAADMP Cn1nnnc1C[NH2+]CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001151048633 781695528 /nfs/dbraw/zinc/69/55/28/781695528.db2.gz CUUGWMPMUITUCI-SECBINFHSA-N 2 1 267.337 -1.632 20 0 CAADMP Cn1ncc(C[NH2+]CCNC(=O)[C@H]2CC[N@H+](C)C2)n1 ZINC001151049462 781696170 /nfs/dbraw/zinc/69/61/70/781696170.db2.gz PRFZZMCJDLQLMM-JTQLQIEISA-N 2 1 266.349 -1.027 20 0 CAADMP Cn1ncc(C[NH2+]CCNC(=O)[C@H]2CC[N@@H+](C)C2)n1 ZINC001151049462 781696178 /nfs/dbraw/zinc/69/61/78/781696178.db2.gz PRFZZMCJDLQLMM-JTQLQIEISA-N 2 1 266.349 -1.027 20 0 CAADMP C[N@H+]1CC[C@H](C(=O)NCC[NH2+][C@@H]2CCNC2=O)C1 ZINC001151049409 781696383 /nfs/dbraw/zinc/69/63/83/781696383.db2.gz NPUFOJOKLXVOTB-VHSXEESVSA-N 2 1 254.334 -1.468 20 0 CAADMP Cn1ncc(C[NH2+]CCNC(=O)[C@@H]2CC[N@H+](C)C2)n1 ZINC001151049463 781696593 /nfs/dbraw/zinc/69/65/93/781696593.db2.gz PRFZZMCJDLQLMM-SNVBAGLBSA-N 2 1 266.349 -1.027 20 0 CAADMP Cn1ncc(C[NH2+]CCNC(=O)[C@@H]2CC[N@@H+](C)C2)n1 ZINC001151049463 781696600 /nfs/dbraw/zinc/69/66/00/781696600.db2.gz PRFZZMCJDLQLMM-SNVBAGLBSA-N 2 1 266.349 -1.027 20 0 CAADMP CS(=O)(=O)N1CCC(C[N@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)CC1 ZINC001206457818 781697328 /nfs/dbraw/zinc/69/73/28/781697328.db2.gz UVPWXOAJELCADQ-NWDGAFQWSA-N 2 1 291.417 -1.091 20 0 CAADMP C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001181651375 781697571 /nfs/dbraw/zinc/69/75/71/781697571.db2.gz BPOCMKSBEHDOME-NXEZZACHSA-N 2 1 297.359 -1.534 20 0 CAADMP C[N@H+]1CC[C@H](C(=O)NCC[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001151056352 781699703 /nfs/dbraw/zinc/69/97/03/781699703.db2.gz LNPMVYNHOQGPNV-UWVGGRQHSA-N 2 1 282.344 -1.551 20 0 CAADMP CNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001151065935 781701341 /nfs/dbraw/zinc/70/13/41/781701341.db2.gz OKLIUMFEYNTBGC-UWVGGRQHSA-N 2 1 256.350 -1.222 20 0 CAADMP CNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001151065934 781702144 /nfs/dbraw/zinc/70/21/44/781702144.db2.gz OKLIUMFEYNTBGC-NXEZZACHSA-N 2 1 256.350 -1.222 20 0 CAADMP CNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001151065872 781702315 /nfs/dbraw/zinc/70/23/15/781702315.db2.gz NYMWDADOXWLDBM-VHSXEESVSA-N 2 1 299.375 -1.512 20 0 CAADMP C[NH+]1CCC(C)(C(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@@H]32)CC1 ZINC001181992783 781703807 /nfs/dbraw/zinc/70/38/07/781703807.db2.gz ARARISZOJSCFLH-GARJFASQSA-N 2 1 282.392 -1.763 20 0 CAADMP [NH3+][C@@H]1NCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)[C@@H]2NCN[C@H]21 ZINC001182017891 781706614 /nfs/dbraw/zinc/70/66/14/781706614.db2.gz UGDRRKBUVSPZOG-KXNHARMFSA-N 2 1 280.376 -2.153 20 0 CAADMP CC(C)[C@H](C(=O)N1CN[C@H]([NH3+])[C@@H]2NCN[C@@H]21)[NH+](C)C ZINC001183366634 781742780 /nfs/dbraw/zinc/74/27/80/781742780.db2.gz VERAQSWATRTVIT-ZRUFSTJUSA-N 2 1 270.381 -1.908 20 0 CAADMP C[NH+](C)[C@H]1C[C@@H](C(=O)N2CN[C@H]([NH3+])[C@H]3NCN[C@@H]32)C1 ZINC001183379921 781742605 /nfs/dbraw/zinc/74/26/05/781742605.db2.gz SHARCUKROYKYLA-NZHYYXIDSA-N 2 1 268.365 -2.154 20 0 CAADMP CC(C)[C@H](C(=O)N1CN[C@H]([NH3+])[C@H]2NCN[C@@H]21)[NH+](C)C ZINC001183366626 781743159 /nfs/dbraw/zinc/74/31/59/781743159.db2.gz VERAQSWATRTVIT-CHWFTXMASA-N 2 1 270.381 -1.908 20 0 CAADMP [NH3+][C@@H]1NCN(C(=O)C23CCC[NH+]2CCC3)[C@H]2NCN[C@@H]21 ZINC001183563178 781745397 /nfs/dbraw/zinc/74/53/97/781745397.db2.gz SOWJMYCAURUGPH-GMTAPVOTSA-N 2 1 280.376 -1.866 20 0 CAADMP C[NH+](C)CCCCC(=O)N1CN[C@H]([NH3+])[C@H]2NCN[C@@H]21 ZINC001184061596 781763288 /nfs/dbraw/zinc/76/32/88/781763288.db2.gz MMFKJGULQDGNDM-GRYCIOLGSA-N 2 1 270.381 -1.763 20 0 CAADMP CN1CC[N@@H+](C)C[C@H]1C(=O)n1cnc(C[NH3+])cc1=N ZINC001185261339 781779105 /nfs/dbraw/zinc/77/91/05/781779105.db2.gz FGAKUFKSJOQSCH-JTQLQIEISA-N 2 1 264.333 -1.293 20 0 CAADMP CN1CC[N@H+](C)C[C@H]1C(=O)NC(=N)SCC[NH3+] ZINC001185261478 781779490 /nfs/dbraw/zinc/77/94/90/781779490.db2.gz FWVWPLWZIQMIRS-QMMMGPOBSA-N 2 1 259.379 -1.025 20 0 CAADMP CN1CC[N@@H+](C)C[C@H]1C(=O)NC(=N)SCC[NH3+] ZINC001185261478 781779493 /nfs/dbraw/zinc/77/94/93/781779493.db2.gz FWVWPLWZIQMIRS-QMMMGPOBSA-N 2 1 259.379 -1.025 20 0 CAADMP CN1CC[N@H+](C)C[C@H]1C(=O)N(CCCC[NH3+])C(N)=[NH2+] ZINC001185263718 781780194 /nfs/dbraw/zinc/78/01/94/781780194.db2.gz VFEBJIAMVUDNCO-JTQLQIEISA-N 3 1 270.381 -1.307 20 0 CAADMP CN1CC[N@@H+](C)C[C@H]1C(=O)N(CCCC[NH3+])C(N)=[NH2+] ZINC001185263718 781780205 /nfs/dbraw/zinc/78/02/05/781780205.db2.gz VFEBJIAMVUDNCO-JTQLQIEISA-N 3 1 270.381 -1.307 20 0 CAADMP C[NH+](C)C[C@H]1COCCN1C(=O)C[N@@H+]1CC[C@@H](O)C1 ZINC001186044805 781794705 /nfs/dbraw/zinc/79/47/05/781794705.db2.gz KSKWXFCIDLHJNI-NWDGAFQWSA-N 2 1 271.361 -1.158 20 0 CAADMP C[NH+](C)C[C@H]1COCCN1C(=O)C[N@H+]1CC[C@@H](O)C1 ZINC001186044805 781794714 /nfs/dbraw/zinc/79/47/14/781794714.db2.gz KSKWXFCIDLHJNI-NWDGAFQWSA-N 2 1 271.361 -1.158 20 0 CAADMP N=c1cc(C[NH3+])ncn1C(=O)C[N@@H+]1CC[C@H](O)C1 ZINC001186049110 781795379 /nfs/dbraw/zinc/79/53/79/781795379.db2.gz KGNLETBOMGHVCN-VIFPVBQESA-N 2 1 251.290 -1.472 20 0 CAADMP N=c1cc(C[NH3+])ncn1C(=O)C[N@H+]1CC[C@H](O)C1 ZINC001186049110 781795388 /nfs/dbraw/zinc/79/53/88/781795388.db2.gz KGNLETBOMGHVCN-VIFPVBQESA-N 2 1 251.290 -1.472 20 0 CAADMP NC(=[NH2+])N(CCCC[NH3+])C(=O)C[N@@H+]1CC[C@H](O)C1 ZINC001186049522 781796218 /nfs/dbraw/zinc/79/62/18/781796218.db2.gz LWBBWPFZVMIADA-VIFPVBQESA-N 3 1 257.338 -1.486 20 0 CAADMP NC(=[NH2+])N(CCCC[NH3+])C(=O)C[N@H+]1CC[C@H](O)C1 ZINC001186049522 781796223 /nfs/dbraw/zinc/79/62/23/781796223.db2.gz LWBBWPFZVMIADA-VIFPVBQESA-N 3 1 257.338 -1.486 20 0 CAADMP NC(=[NH2+])N(CCCC[NH3+])C(=O)C[N@@H+]1CC[C@@H](O)C1 ZINC001186049519 781797007 /nfs/dbraw/zinc/79/70/07/781797007.db2.gz LWBBWPFZVMIADA-SECBINFHSA-N 3 1 257.338 -1.486 20 0 CAADMP NC(=[NH2+])N(CCCC[NH3+])C(=O)C[N@H+]1CC[C@@H](O)C1 ZINC001186049519 781797014 /nfs/dbraw/zinc/79/70/14/781797014.db2.gz LWBBWPFZVMIADA-SECBINFHSA-N 3 1 257.338 -1.486 20 0 CAADMP Cc1ncc(C[NH3+])c(=N)n1C(=O)C[N@@H+]1CC[C@@H](O)C1 ZINC001186048698 781797049 /nfs/dbraw/zinc/79/70/49/781797049.db2.gz HUNHQVQEWOIEAS-SNVBAGLBSA-N 2 1 265.317 -1.164 20 0 CAADMP Cc1ncc(C[NH3+])c(=N)n1C(=O)C[N@H+]1CC[C@@H](O)C1 ZINC001186048698 781797055 /nfs/dbraw/zinc/79/70/55/781797055.db2.gz HUNHQVQEWOIEAS-SNVBAGLBSA-N 2 1 265.317 -1.164 20 0 CAADMP [NH3+]CCN(CCNC(=O)C[N@@H+]1CC[C@H](O)C1)N(O)N=O ZINC001186054107 781798214 /nfs/dbraw/zinc/79/82/14/781798214.db2.gz ATOQJCIUYPRCJC-VIFPVBQESA-N 2 1 290.324 -2.283 20 0 CAADMP [NH3+]CCN(CCNC(=O)C[N@H+]1CC[C@H](O)C1)N(O)N=O ZINC001186054107 781798219 /nfs/dbraw/zinc/79/82/19/781798219.db2.gz ATOQJCIUYPRCJC-VIFPVBQESA-N 2 1 290.324 -2.283 20 0 CAADMP C[NH+]1CCC(CO)(NC(=O)C[N@@H+]2CC[C@H](O)C2)CC1 ZINC001186056072 781799098 /nfs/dbraw/zinc/79/90/98/781799098.db2.gz BQJPEZYQXHNQHV-NSHDSACASA-N 2 1 271.361 -1.374 20 0 CAADMP C[NH+]1CCC(CO)(NC(=O)C[N@H+]2CC[C@H](O)C2)CC1 ZINC001186056072 781799103 /nfs/dbraw/zinc/79/91/03/781799103.db2.gz BQJPEZYQXHNQHV-NSHDSACASA-N 2 1 271.361 -1.374 20 0 CAADMP C[N@@H+]1CCC[C@H](C(=O)N2CN[C@H]([NH3+])[C@H]3NCN[C@H]32)C1 ZINC001186370133 781804825 /nfs/dbraw/zinc/80/48/25/781804825.db2.gz QODLMWIMADVFAT-VLEAKVRGSA-N 2 1 268.365 -2.153 20 0 CAADMP C[N@H+]1CCC[C@H](C(=O)N2CN[C@H]([NH3+])[C@H]3NCN[C@H]32)C1 ZINC001186370133 781804832 /nfs/dbraw/zinc/80/48/32/781804832.db2.gz QODLMWIMADVFAT-VLEAKVRGSA-N 2 1 268.365 -2.153 20 0 CAADMP CC[N@@H+]1CCO[C@@H](C(=O)N2CC[C@@H]([NH2+]CC(=O)NC)C2)C1 ZINC001187982976 781833134 /nfs/dbraw/zinc/83/31/34/781833134.db2.gz VFOUCIXTGYEOCP-VXGBXAGGSA-N 2 1 298.387 -1.356 20 0 CAADMP CC[N@H+]1CCO[C@@H](C(=O)N2CC[C@@H]([NH2+]CC(=O)NC)C2)C1 ZINC001187982976 781833144 /nfs/dbraw/zinc/83/31/44/781833144.db2.gz VFOUCIXTGYEOCP-VXGBXAGGSA-N 2 1 298.387 -1.356 20 0 CAADMP CC[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+]CCOCCO)C1 ZINC001151739014 781848051 /nfs/dbraw/zinc/84/80/51/781848051.db2.gz KCIPDTHUCDDDIT-GFCCVEGCSA-N 2 1 289.376 -1.578 20 0 CAADMP CC[N@H+]1CCO[C@@H](C(=O)NCC[NH2+]CCOCCO)C1 ZINC001151739014 781848061 /nfs/dbraw/zinc/84/80/61/781848061.db2.gz KCIPDTHUCDDDIT-GFCCVEGCSA-N 2 1 289.376 -1.578 20 0 CAADMP CC[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+][C@@H]2CCNC2=O)C1 ZINC001151749176 781850551 /nfs/dbraw/zinc/85/05/51/781850551.db2.gz QOCWJRPOUNZQFF-GHMZBOCLSA-N 2 1 284.360 -1.699 20 0 CAADMP CC[N@H+]1CCO[C@@H](C(=O)NCC[NH2+][C@@H]2CCNC2=O)C1 ZINC001151749176 781850554 /nfs/dbraw/zinc/85/05/54/781850554.db2.gz QOCWJRPOUNZQFF-GHMZBOCLSA-N 2 1 284.360 -1.699 20 0 CAADMP CC[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+]CC(=O)N2CCC2)C1 ZINC001151749381 781850897 /nfs/dbraw/zinc/85/08/97/781850897.db2.gz WQCBFHJXODGVPL-GFCCVEGCSA-N 2 1 298.387 -1.355 20 0 CAADMP CC[N@H+]1CCO[C@@H](C(=O)NCC[NH2+]CC(=O)N2CCC2)C1 ZINC001151749381 781850906 /nfs/dbraw/zinc/85/09/06/781850906.db2.gz WQCBFHJXODGVPL-GFCCVEGCSA-N 2 1 298.387 -1.355 20 0 CAADMP CC[N@@H+]1CCO[C@H](C(=O)NCC[NH2+][C@@H]2CCNC2=O)C1 ZINC001151749177 781850984 /nfs/dbraw/zinc/85/09/84/781850984.db2.gz QOCWJRPOUNZQFF-MNOVXSKESA-N 2 1 284.360 -1.699 20 0 CAADMP CC[N@H+]1CCO[C@H](C(=O)NCC[NH2+][C@@H]2CCNC2=O)C1 ZINC001151749177 781850993 /nfs/dbraw/zinc/85/09/93/781850993.db2.gz QOCWJRPOUNZQFF-MNOVXSKESA-N 2 1 284.360 -1.699 20 0 CAADMP CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001151748758 781851453 /nfs/dbraw/zinc/85/14/53/781851453.db2.gz KIHXHRRHYSIDIW-NSHDSACASA-N 2 1 286.376 -1.451 20 0 CAADMP CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001151748758 781851462 /nfs/dbraw/zinc/85/14/62/781851462.db2.gz KIHXHRRHYSIDIW-NSHDSACASA-N 2 1 286.376 -1.451 20 0 CAADMP CC[N@@H+]1CCO[C@H](C(=O)NCC[NH2+][C@H]2CCNC2=O)C1 ZINC001151749178 781851553 /nfs/dbraw/zinc/85/15/53/781851553.db2.gz QOCWJRPOUNZQFF-QWRGUYRKSA-N 2 1 284.360 -1.699 20 0 CAADMP CC[N@H+]1CCO[C@H](C(=O)NCC[NH2+][C@H]2CCNC2=O)C1 ZINC001151749178 781851561 /nfs/dbraw/zinc/85/15/61/781851561.db2.gz QOCWJRPOUNZQFF-QWRGUYRKSA-N 2 1 284.360 -1.699 20 0 CAADMP C[NH+](C)CCOCC(=O)N1CC[C@H]2C[N@H+](CC(N)=O)C[C@H]21 ZINC001189801803 781865842 /nfs/dbraw/zinc/86/58/42/781865842.db2.gz NRGOWWFIUZXMEK-NWDGAFQWSA-N 2 1 298.387 -1.417 20 0 CAADMP C[NH+](C)CCOCC(=O)N1CC[C@H]2C[N@@H+](CC(N)=O)C[C@H]21 ZINC001189801803 781865848 /nfs/dbraw/zinc/86/58/48/781865848.db2.gz NRGOWWFIUZXMEK-NWDGAFQWSA-N 2 1 298.387 -1.417 20 0 CAADMP C[NH+](C)CCCC(=O)NC[C@@]1(O)CC[N@@H+](CC(N)=O)C1 ZINC001421375274 890505388 /nfs/dbraw/zinc/50/53/88/890505388.db2.gz JWJGNZXYAGFKTA-ZDUSSCGKSA-N 2 1 286.376 -1.634 20 0 CAADMP C[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@@H](O)[C@H](CO)C2)CC1 ZINC001421919240 890544686 /nfs/dbraw/zinc/54/46/86/890544686.db2.gz UZMOQQOXKVPRIJ-WCQYABFASA-N 2 1 285.388 -1.128 20 0 CAADMP C[NH+]1CCC(NC(=O)C[N@H+]2CC[C@@H](O)[C@H](CO)C2)CC1 ZINC001421919240 890544696 /nfs/dbraw/zinc/54/46/96/890544696.db2.gz UZMOQQOXKVPRIJ-WCQYABFASA-N 2 1 285.388 -1.128 20 0 CAADMP CC(C)[N@H+](C)C[C@H](O)C[NH+]1C[C@H](C(N)=O)[C@H](C(N)=O)C1 ZINC001422050902 890546372 /nfs/dbraw/zinc/54/63/72/890546372.db2.gz PDNULMATRODINJ-GARJFASQSA-N 2 1 286.376 -1.794 20 0 CAADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1C[C@H](C(N)=O)[C@H](C(N)=O)C1 ZINC001422050902 890546379 /nfs/dbraw/zinc/54/63/79/890546379.db2.gz PDNULMATRODINJ-GARJFASQSA-N 2 1 286.376 -1.794 20 0 CAADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1C[C@H](C(N)=O)[C@H](C(N)=O)C1 ZINC001422050902 890546383 /nfs/dbraw/zinc/54/63/83/890546383.db2.gz PDNULMATRODINJ-GARJFASQSA-N 2 1 286.376 -1.794 20 0 CAADMP CC(C)[NH+](C)C[C@H](O)C[N@H+]1C[C@H](C(N)=O)[C@H](C(N)=O)C1 ZINC001422050902 890546390 /nfs/dbraw/zinc/54/63/90/890546390.db2.gz PDNULMATRODINJ-GARJFASQSA-N 2 1 286.376 -1.794 20 0 CAADMP CN(C[C@@H](O)C[N@H+](C)CC(N)=O)C(=O)C[NH+]1CCCC1 ZINC001423544056 890684994 /nfs/dbraw/zinc/68/49/94/890684994.db2.gz HBQWBWGGZBTGGC-NSHDSACASA-N 2 1 286.376 -1.681 20 0 CAADMP CN(C[C@@H](O)C[N@@H+](C)CC(N)=O)C(=O)C[NH+]1CCCC1 ZINC001423544056 890684998 /nfs/dbraw/zinc/68/49/98/890684998.db2.gz HBQWBWGGZBTGGC-NSHDSACASA-N 2 1 286.376 -1.681 20 0 CAADMP CN(C[C@H](O)C[N@H+](C)CC(N)=O)C(=O)C[NH+]1CCCC1 ZINC001423544052 890684254 /nfs/dbraw/zinc/68/42/54/890684254.db2.gz HBQWBWGGZBTGGC-LLVKDONJSA-N 2 1 286.376 -1.681 20 0 CAADMP CN(C[C@H](O)C[N@@H+](C)CC(N)=O)C(=O)C[NH+]1CCCC1 ZINC001423544052 890684265 /nfs/dbraw/zinc/68/42/65/890684265.db2.gz HBQWBWGGZBTGGC-LLVKDONJSA-N 2 1 286.376 -1.681 20 0 CAADMP C[NH+]1CCO[C@@H](C(=O)NC[C@@]2(O)CC[N@H+](CCO)C2)C1 ZINC001423745328 890694857 /nfs/dbraw/zinc/69/48/57/890694857.db2.gz VELUDJHWZQBBHD-YPMHNXCESA-N 2 1 287.360 -2.138 20 0 CAADMP C[NH+]1CCO[C@@H](C(=O)NC[C@@]2(O)CC[N@@H+](CCO)C2)C1 ZINC001423745328 890694867 /nfs/dbraw/zinc/69/48/67/890694867.db2.gz VELUDJHWZQBBHD-YPMHNXCESA-N 2 1 287.360 -2.138 20 0 CAADMP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H](CO)[NH2+]CC(N)=O ZINC001425835839 890830229 /nfs/dbraw/zinc/83/02/29/890830229.db2.gz ARVJMIFYROPFAC-WDEREUQCSA-N 2 1 286.376 -1.587 20 0 CAADMP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H](CO)[NH2+]CC(N)=O ZINC001425835839 890830246 /nfs/dbraw/zinc/83/02/46/890830246.db2.gz ARVJMIFYROPFAC-WDEREUQCSA-N 2 1 286.376 -1.587 20 0 CAADMP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H](CO)[NH2+]CC(N)=O ZINC001425835829 890828438 /nfs/dbraw/zinc/82/84/38/890828438.db2.gz ARVJMIFYROPFAC-MNOVXSKESA-N 2 1 286.376 -1.587 20 0 CAADMP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@H](CO)[NH2+]CC(N)=O ZINC001425835829 890828450 /nfs/dbraw/zinc/82/84/50/890828450.db2.gz ARVJMIFYROPFAC-MNOVXSKESA-N 2 1 286.376 -1.587 20 0 CAADMP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H](CO)[NH2+]CC(N)=O ZINC001425835834 890828952 /nfs/dbraw/zinc/82/89/52/890828952.db2.gz ARVJMIFYROPFAC-QWRGUYRKSA-N 2 1 286.376 -1.587 20 0 CAADMP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@@H](CO)[NH2+]CC(N)=O ZINC001425835834 890828961 /nfs/dbraw/zinc/82/89/61/890828961.db2.gz ARVJMIFYROPFAC-QWRGUYRKSA-N 2 1 286.376 -1.587 20 0 CAADMP Cc1c[nH+]cn1CC(=O)N(C)C[C@H](O)C[N@H+](C)CCO ZINC001426081308 890852768 /nfs/dbraw/zinc/85/27/68/890852768.db2.gz SMGFIKHSRVVZBH-GFCCVEGCSA-N 2 1 284.360 -1.065 20 0 CAADMP Cc1c[nH+]cn1CC(=O)N(C)C[C@H](O)C[N@@H+](C)CCO ZINC001426081308 890852781 /nfs/dbraw/zinc/85/27/81/890852781.db2.gz SMGFIKHSRVVZBH-GFCCVEGCSA-N 2 1 284.360 -1.065 20 0 CAADMP CC[N@@H+]1CCO[C@@H](C(=O)N(C)CC[NH2+]CC(N)=O)C1 ZINC001317666283 884237281 /nfs/dbraw/zinc/23/72/81/884237281.db2.gz UFIJMLBTMCVJIP-SNVBAGLBSA-N 2 1 272.349 -1.760 20 0 CAADMP CC[N@H+]1CCO[C@@H](C(=O)N(C)CC[NH2+]CC(N)=O)C1 ZINC001317666283 884237298 /nfs/dbraw/zinc/23/72/98/884237298.db2.gz UFIJMLBTMCVJIP-SNVBAGLBSA-N 2 1 272.349 -1.760 20 0 CAADMP Cc1c[nH+]cn1CC(=O)NC[C@H](O)C[NH2+]CC(N)=O ZINC001320250870 884401380 /nfs/dbraw/zinc/40/13/80/884401380.db2.gz VKRDXYKSKHNBJZ-SECBINFHSA-N 2 1 269.305 -2.256 20 0 CAADMP CNC(=O)C[NH2+]CC[C@H](C)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001320375422 884416964 /nfs/dbraw/zinc/41/69/64/884416964.db2.gz HUYXWFOJUOAWOA-WDEREUQCSA-N 2 1 286.376 -1.453 20 0 CAADMP CNC(=O)C[NH2+]CC[C@H](C)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001320375422 884416971 /nfs/dbraw/zinc/41/69/71/884416971.db2.gz HUYXWFOJUOAWOA-WDEREUQCSA-N 2 1 286.376 -1.453 20 0 CAADMP CNC(=O)C[NH2+]CC[C@@H](C)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001320375413 884418521 /nfs/dbraw/zinc/41/85/21/884418521.db2.gz HUYXWFOJUOAWOA-GHMZBOCLSA-N 2 1 286.376 -1.453 20 0 CAADMP C[C@H](CNC(=O)COCC[NH3+])CN1CC[NH+](C)CC1 ZINC001326026419 884760906 /nfs/dbraw/zinc/76/09/06/884760906.db2.gz CMYIBQGFRACLSM-GFCCVEGCSA-N 2 1 272.393 -1.039 20 0 CAADMP Cc1c[nH+]cn1CC(=O)N(CCO)CC[NH2+]C[C@@H](C)O ZINC001326061907 884763169 /nfs/dbraw/zinc/76/31/69/884763169.db2.gz HQIHCOIQDPZBCM-GFCCVEGCSA-N 2 1 284.360 -1.017 20 0 CAADMP [NH3+]CCCCNC(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC001326845803 884837388 /nfs/dbraw/zinc/83/73/88/884837388.db2.gz KUIUKWMDANBMJQ-WDEREUQCSA-N 2 1 284.360 -1.881 20 0 CAADMP CN(C)C(=O)[C@H]1CN(CCN2CC[NH2+]CC2)CC[NH2+]1 ZINC001328493817 884991062 /nfs/dbraw/zinc/99/10/62/884991062.db2.gz YJKIFAWHSDTXJL-GFCCVEGCSA-N 2 1 269.393 -1.746 20 0 CAADMP C[NH2+]CCOCCNC(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC001328959443 885036874 /nfs/dbraw/zinc/03/68/74/885036874.db2.gz OAKDAHKJMDZNAK-LBPRGKRZSA-N 2 1 287.408 -1.233 20 0 CAADMP NC(=O)[C@H]1C[N@H+](C[C@H]2CCC3(C[NH2+]C3)O2)CCO1 ZINC001330584332 885207319 /nfs/dbraw/zinc/20/73/19/885207319.db2.gz IBOJGNGUSNXYAK-NXEZZACHSA-N 2 1 255.318 -1.307 20 0 CAADMP NC(=O)[C@H]1C[N@@H+](C[C@H]2CCC3(C[NH2+]C3)O2)CCO1 ZINC001330584332 885207340 /nfs/dbraw/zinc/20/73/40/885207340.db2.gz IBOJGNGUSNXYAK-NXEZZACHSA-N 2 1 255.318 -1.307 20 0 CAADMP NC(=O)[C@H]1C[N@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)CCO1 ZINC001330584334 885204888 /nfs/dbraw/zinc/20/48/88/885204888.db2.gz IBOJGNGUSNXYAK-VHSXEESVSA-N 2 1 255.318 -1.307 20 0 CAADMP NC(=O)[C@H]1C[N@@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)CCO1 ZINC001330584334 885204905 /nfs/dbraw/zinc/20/49/05/885204905.db2.gz IBOJGNGUSNXYAK-VHSXEESVSA-N 2 1 255.318 -1.307 20 0 CAADMP NC(=O)[C@@H]1C[N@H+](C[C@H]2CCC3(C[NH2+]C3)O2)CCO1 ZINC001330584335 885205058 /nfs/dbraw/zinc/20/50/58/885205058.db2.gz IBOJGNGUSNXYAK-ZJUUUORDSA-N 2 1 255.318 -1.307 20 0 CAADMP NC(=O)[C@@H]1C[N@@H+](C[C@H]2CCC3(C[NH2+]C3)O2)CCO1 ZINC001330584335 885205077 /nfs/dbraw/zinc/20/50/77/885205077.db2.gz IBOJGNGUSNXYAK-ZJUUUORDSA-N 2 1 255.318 -1.307 20 0 CAADMP C[C@@H](NC(=O)C(=O)NCC[C@H](C)[NH3+])[C@@H]1C[N@@H+](C)CCO1 ZINC001330860300 885236891 /nfs/dbraw/zinc/23/68/91/885236891.db2.gz PWKPJYYWLGUZCG-AXFHLTTASA-N 2 1 286.376 -1.325 20 0 CAADMP NC(=O)C[C@@H]1C[N@H+](CCN2CC[NH2+]CC2)CCO1 ZINC001331847722 885356190 /nfs/dbraw/zinc/35/61/90/885356190.db2.gz PDZRKXVYRKGKPE-LLVKDONJSA-N 2 1 256.350 -1.532 20 0 CAADMP NC(=O)C[C@@H]1C[N@@H+](CCN2CC[NH2+]CC2)CCO1 ZINC001331847722 885356213 /nfs/dbraw/zinc/35/62/13/885356213.db2.gz PDZRKXVYRKGKPE-LLVKDONJSA-N 2 1 256.350 -1.532 20 0 CAADMP Cc1[nH+]ccn1CC(=O)NC[C@H](CO)[NH2+]CCCO ZINC001331834238 885358228 /nfs/dbraw/zinc/35/82/28/885358228.db2.gz GMGYFDCLFZYJAO-LLVKDONJSA-N 2 1 270.333 -1.359 20 0 CAADMP COCC[N@H+]1CC[C@H](NC(=O)C(=O)NCC[C@H](C)[NH3+])C1 ZINC001331950549 885369017 /nfs/dbraw/zinc/36/90/17/885369017.db2.gz USMHDYVUVSZWQB-QWRGUYRKSA-N 2 1 286.376 -1.323 20 0 CAADMP C[NH2+]C[C@@](C)(O)C[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC001332629043 885430752 /nfs/dbraw/zinc/43/07/52/885430752.db2.gz YSHJFOFYSNJWLX-QWHCGFSZSA-N 3 1 256.394 -1.064 20 0 CAADMP C[NH2+]C[C@@](C)(O)CN1CC[C@H](N2CC[NH2+]CC2)C1 ZINC001332629043 885430757 /nfs/dbraw/zinc/43/07/57/885430757.db2.gz YSHJFOFYSNJWLX-QWHCGFSZSA-N 2 1 256.394 -1.064 20 0 CAADMP NC(=O)C[C@@H]1C[N@H+](C[C@H]2CC3(C[NH2+]C3)CO2)CCO1 ZINC001333529590 885488363 /nfs/dbraw/zinc/48/83/63/885488363.db2.gz OLSOALJGVJLZKD-GHMZBOCLSA-N 2 1 269.345 -1.059 20 0 CAADMP NC(=O)C[C@@H]1C[N@@H+](C[C@H]2CC3(C[NH2+]C3)CO2)CCO1 ZINC001333529590 885488368 /nfs/dbraw/zinc/48/83/68/885488368.db2.gz OLSOALJGVJLZKD-GHMZBOCLSA-N 2 1 269.345 -1.059 20 0 CAADMP NC(=O)C[C@H]1C[N@H+](C[C@H]2CC3(C[NH2+]C3)CO2)CCO1 ZINC001333529593 885486486 /nfs/dbraw/zinc/48/64/86/885486486.db2.gz OLSOALJGVJLZKD-WDEREUQCSA-N 2 1 269.345 -1.059 20 0 CAADMP NC(=O)C[C@H]1C[N@@H+](C[C@H]2CC3(C[NH2+]C3)CO2)CCO1 ZINC001333529593 885486497 /nfs/dbraw/zinc/48/64/97/885486497.db2.gz OLSOALJGVJLZKD-WDEREUQCSA-N 2 1 269.345 -1.059 20 0 CAADMP CC(C[NH+]1C[C@@H](O)[C@@H](O)C1)C[N@H+]1C[C@@H](O)[C@@H](O)C1 ZINC001334390459 885544653 /nfs/dbraw/zinc/54/46/53/885544653.db2.gz DTNBETIGLXUDMZ-BKUVIOGVSA-N 2 1 260.334 -2.303 20 0 CAADMP CC(C[NH+]1C[C@@H](O)[C@@H](O)C1)C[N@@H+]1C[C@@H](O)[C@@H](O)C1 ZINC001334390459 885544662 /nfs/dbraw/zinc/54/46/62/885544662.db2.gz DTNBETIGLXUDMZ-BKUVIOGVSA-N 2 1 260.334 -2.303 20 0 CAADMP COC(=O)[C@H]1C[N@@H+](CCOCC[NH3+])C[C@H]1C(=O)OC ZINC001336095794 885645359 /nfs/dbraw/zinc/64/53/59/885645359.db2.gz OJOZWCUUGPJNLZ-AOOOYVTPSA-N 2 1 274.317 -1.144 20 0 CAADMP C[C@@H]1C[NH2+]C[C@H]1NC(=O)NCC[N@H+]1CC[C@H](O)C1 ZINC001336926461 885687417 /nfs/dbraw/zinc/68/74/17/885687417.db2.gz SIJJUUZWDDDBEU-OUAUKWLOSA-N 2 1 256.350 -1.040 20 0 CAADMP CN1CCC([N@H+]2CC[C@@H](NC(=O)CNCC[NH3+])C2)CC1 ZINC001340870151 885820293 /nfs/dbraw/zinc/82/02/93/885820293.db2.gz AYJXWXAZKNDIKG-GFCCVEGCSA-N 2 1 283.420 -1.181 20 0 CAADMP C[NH+]1CCC(N2CC[C@@H](NC(=O)CNCC[NH3+])C2)CC1 ZINC001340870151 885820302 /nfs/dbraw/zinc/82/03/02/885820302.db2.gz AYJXWXAZKNDIKG-GFCCVEGCSA-N 2 1 283.420 -1.181 20 0 CAADMP [NH3+][C@H](CO)C(=O)N1CC[NH2+]C[C@@H]1c1cccnc1 ZINC001341764452 885856672 /nfs/dbraw/zinc/85/66/72/885856672.db2.gz HIMKKUJAOSYQBU-GHMZBOCLSA-N 2 1 250.302 -1.126 20 0 CAADMP [NH3+][C@H](CO)C(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC001341922441 885863477 /nfs/dbraw/zinc/86/34/77/885863477.db2.gz CAKPEBSEQYBLQS-GMTAPVOTSA-N 2 1 257.334 -1.636 20 0 CAADMP O=C(NCC1(O)C[NH2+]C1)[C@H]1[NH2+]CCc2occc21 ZINC001343968005 885930563 /nfs/dbraw/zinc/93/05/63/885930563.db2.gz WHDODTPISWLOIF-JTQLQIEISA-N 2 1 251.286 -1.083 20 0 CAADMP O=C(NCC1C[NH2+]C1)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC001346504889 886009154 /nfs/dbraw/zinc/00/91/54/886009154.db2.gz LPLIFSXUUWYRHW-WDEREUQCSA-N 2 1 254.334 -1.334 20 0 CAADMP [NH3+]C/C=C\CNC(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC001349837833 886155112 /nfs/dbraw/zinc/15/51/12/886155112.db2.gz DBQNFGYKQXTWGU-WQJDUCKJSA-N 2 1 254.334 -1.038 20 0 CAADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC001351552902 886211755 /nfs/dbraw/zinc/21/17/55/886211755.db2.gz RFNNLPOICJVOAY-GHMZBOCLSA-N 2 1 283.376 -2.174 20 0 CAADMP C[NH2+]C[C@@](C)(O)C[N@@H+]1CC[C@@H](CS(N)(=O)=O)C1 ZINC001354184976 886299965 /nfs/dbraw/zinc/29/99/65/886299965.db2.gz OIJRKGSFAGYPJH-NXEZZACHSA-N 2 1 265.379 -1.433 20 0 CAADMP C[NH2+]C[C@@](C)(O)C[N@H+]1CC[C@@H](CS(N)(=O)=O)C1 ZINC001354184976 886299985 /nfs/dbraw/zinc/29/99/85/886299985.db2.gz OIJRKGSFAGYPJH-NXEZZACHSA-N 2 1 265.379 -1.433 20 0 CAADMP COCC[NH2+]CCNC(=O)[C@H]1C[N@H+]2CCN1C[C@H]2C ZINC001353602461 886285239 /nfs/dbraw/zinc/28/52/39/886285239.db2.gz OLJLNDQPLNZWDV-VXGBXAGGSA-N 2 1 270.377 -1.273 20 0 CAADMP CN1CCN(C(=O)[C@H](N)CC[NH+](C)C)CC[N@@H+](C)CC1 ZINC001358444190 886427940 /nfs/dbraw/zinc/42/79/40/886427940.db2.gz IXNGFUUQFODEQK-CYBMUJFWSA-N 2 1 285.436 -1.029 20 0 CAADMP CNC(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001367576459 887396775 /nfs/dbraw/zinc/39/67/75/887396775.db2.gz HJCVEJWUQIGUMJ-ZJUUUORDSA-N 2 1 272.349 -2.107 20 0 CAADMP C[N@H+]1CC[C@@H](C(=O)NC[C@@]2(O)CC[NH+](CCCO)C2)C1 ZINC001368291602 887470205 /nfs/dbraw/zinc/47/02/05/887470205.db2.gz WYIMGJNSSIRVRS-OCCSQVGLSA-N 2 1 285.388 -1.127 20 0 CAADMP C[NH+]1CC[C@@H](C(=O)NC[C@@]2(O)CC[N@H+](CCCO)C2)C1 ZINC001368291602 887470211 /nfs/dbraw/zinc/47/02/11/887470211.db2.gz WYIMGJNSSIRVRS-OCCSQVGLSA-N 2 1 285.388 -1.127 20 0 CAADMP C[NH+]1CC[C@@H](C(=O)NC[C@@]2(O)CC[N@@H+](CCCO)C2)C1 ZINC001368291602 887470219 /nfs/dbraw/zinc/47/02/19/887470219.db2.gz WYIMGJNSSIRVRS-OCCSQVGLSA-N 2 1 285.388 -1.127 20 0 CAADMP C[C@H](NC(=O)CC[NH+]1CCOCC1)[C@H](C)[NH2+]CC(N)=O ZINC001368874198 887506734 /nfs/dbraw/zinc/50/67/34/887506734.db2.gz IDYSVGRBAKSMKQ-QWRGUYRKSA-N 2 1 286.376 -1.323 20 0 CAADMP CC[C@H](C(=O)N(C)C[C@H](O)C[N@H+](C)CC(N)=O)[NH+](C)C ZINC001369513557 887584525 /nfs/dbraw/zinc/58/45/25/887584525.db2.gz MQSYHNSSHYKEDO-GHMZBOCLSA-N 2 1 288.392 -1.437 20 0 CAADMP CC[C@H](C(=O)N(C)C[C@H](O)C[N@@H+](C)CC(N)=O)[NH+](C)C ZINC001369513557 887584539 /nfs/dbraw/zinc/58/45/39/887584539.db2.gz MQSYHNSSHYKEDO-GHMZBOCLSA-N 2 1 288.392 -1.437 20 0 CAADMP C[C@@H]1[C@H](C(=O)N(C)C[C@@H](O)C[NH2+]CC(N)=O)CC[N@H+]1C ZINC001369476186 887576326 /nfs/dbraw/zinc/57/63/26/887576326.db2.gz ZILOPAZLYPCVPR-OUAUKWLOSA-N 2 1 286.376 -1.779 20 0 CAADMP CCC[N@@H+](C)CC(=O)NC[C@@]1(O)CC[NH+](CC(N)=O)C1 ZINC001376086775 887902998 /nfs/dbraw/zinc/90/29/98/887902998.db2.gz BTQQYWBHSRNOII-ZDUSSCGKSA-N 2 1 286.376 -1.634 20 0 CAADMP CCC[NH+](C)CC(=O)NC[C@@]1(O)CC[N@H+](CC(N)=O)C1 ZINC001376086775 887903003 /nfs/dbraw/zinc/90/30/03/887903003.db2.gz BTQQYWBHSRNOII-ZDUSSCGKSA-N 2 1 286.376 -1.634 20 0 CAADMP CCC[NH+](C)CC(=O)NC[C@@]1(O)CC[N@@H+](CC(N)=O)C1 ZINC001376086775 887903006 /nfs/dbraw/zinc/90/30/06/887903006.db2.gz BTQQYWBHSRNOII-ZDUSSCGKSA-N 2 1 286.376 -1.634 20 0 CAADMP Cc1[nH+]ccn1CC(=O)NC[C@@H](CO)[NH2+][C@H](C)C(N)=O ZINC001379531557 888163068 /nfs/dbraw/zinc/16/30/68/888163068.db2.gz WKGQPYUQCCKHGO-SCZZXKLOSA-N 2 1 283.332 -1.868 20 0 CAADMP CN(C[C@H](O)C[N@@H+](C)CCO)C(=O)C12CC[NH+](CC1)C2 ZINC001394780992 888896316 /nfs/dbraw/zinc/89/63/16/888896316.db2.gz GSSRDBFEUIOBIR-GFCCVEGCSA-N 2 1 285.388 -1.174 20 0 CAADMP CN(C[C@H](O)C[N@@H+](C)CCO)C(=O)C[NH+]1CCCC1 ZINC001394792483 888896340 /nfs/dbraw/zinc/89/63/40/888896340.db2.gz OIWPCJBPUJNNOG-GFCCVEGCSA-N 2 1 273.377 -1.174 20 0 CAADMP CC[N@H+]1CCO[C@H](C(=O)NC[C@@H](C)[NH2+]CC(N)=O)C1 ZINC001399153130 889031122 /nfs/dbraw/zinc/03/11/22/889031122.db2.gz HRAVJRMUXKKVET-ZJUUUORDSA-N 2 1 272.349 -1.713 20 0 CAADMP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@H](C)[NH2+]CC(N)=O)C1 ZINC001399153129 889033557 /nfs/dbraw/zinc/03/35/57/889033557.db2.gz HRAVJRMUXKKVET-VHSXEESVSA-N 2 1 272.349 -1.713 20 0 CAADMP CC[N@H+]1CCO[C@@H](C(=O)NC[C@H](C)[NH2+]CC(N)=O)C1 ZINC001399153129 889033569 /nfs/dbraw/zinc/03/35/69/889033569.db2.gz HRAVJRMUXKKVET-VHSXEESVSA-N 2 1 272.349 -1.713 20 0 CAADMP COC[C@H](O)C[N@@H+](C)CCNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001403529841 889307301 /nfs/dbraw/zinc/30/73/01/889307301.db2.gz IFFDNJIHRBIYOB-NEPJUHHUSA-N 2 1 289.376 -1.628 20 0 CAADMP COC[C@H](O)C[NH+](C)CCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001403529841 889307314 /nfs/dbraw/zinc/30/73/14/889307314.db2.gz IFFDNJIHRBIYOB-NEPJUHHUSA-N 2 1 289.376 -1.628 20 0 CAADMP COC[C@H](O)C[NH+](C)CCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001403529841 889307320 /nfs/dbraw/zinc/30/73/20/889307320.db2.gz IFFDNJIHRBIYOB-NEPJUHHUSA-N 2 1 289.376 -1.628 20 0 CAADMP COC[C@H](O)C[N@H+](C)CCNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001403529841 889307286 /nfs/dbraw/zinc/30/72/86/889307286.db2.gz IFFDNJIHRBIYOB-NEPJUHHUSA-N 2 1 289.376 -1.628 20 0 CAADMP Cc1c[nH+]cn1CC(=O)NC[C@H](CO)[NH2+][C@H](C)C(N)=O ZINC001403686591 889349062 /nfs/dbraw/zinc/34/90/62/889349062.db2.gz OULJLNQRYGMUSX-NXEZZACHSA-N 2 1 283.332 -1.868 20 0 CAADMP CN(C[C@H](O)C[NH2+]CC(N)=O)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001403874967 889378780 /nfs/dbraw/zinc/37/87/80/889378780.db2.gz HZPVVWMWSHOBCJ-NXEZZACHSA-N 2 1 272.349 -2.168 20 0 CAADMP C[N@@H+]1CCO[C@H](C(=O)NC[C@@H](O)C[NH2+]CC2CC2)C1 ZINC001406220084 889489501 /nfs/dbraw/zinc/48/95/01/889489501.db2.gz VJJTVAWVXXLATN-RYUDHWBXSA-N 2 1 271.361 -1.206 20 0 CAADMP C[N@H+]1CCO[C@H](C(=O)NC[C@@H](O)C[NH2+]CC2CC2)C1 ZINC001406220084 889489507 /nfs/dbraw/zinc/48/95/07/889489507.db2.gz VJJTVAWVXXLATN-RYUDHWBXSA-N 2 1 271.361 -1.206 20 0 CAADMP C[N@@H+]1CCO[C@@H](C(=O)NC[C@@H](O)C[NH2+]CC2CC2)C1 ZINC001406220081 889489785 /nfs/dbraw/zinc/48/97/85/889489785.db2.gz VJJTVAWVXXLATN-NWDGAFQWSA-N 2 1 271.361 -1.206 20 0 CAADMP C[N@H+]1CCO[C@@H](C(=O)NC[C@@H](O)C[NH2+]CC2CC2)C1 ZINC001406220081 889489796 /nfs/dbraw/zinc/48/97/96/889489796.db2.gz VJJTVAWVXXLATN-NWDGAFQWSA-N 2 1 271.361 -1.206 20 0 CAADMP C[N@H+](C[C@@H](O)C[NH+]1C[C@H](C(N)=O)[C@H](C(N)=O)C1)C1CC1 ZINC001414017374 890035344 /nfs/dbraw/zinc/03/53/44/890035344.db2.gz OBPHUMBKYRELEH-MXWKQRLJSA-N 2 1 284.360 -2.040 20 0 CAADMP C[N@@H+](C[C@@H](O)C[NH+]1C[C@H](C(N)=O)[C@H](C(N)=O)C1)C1CC1 ZINC001414017374 890035361 /nfs/dbraw/zinc/03/53/61/890035361.db2.gz OBPHUMBKYRELEH-MXWKQRLJSA-N 2 1 284.360 -2.040 20 0 CAADMP C[NH+](C[C@@H](O)C[N@@H+]1C[C@H](C(N)=O)[C@H](C(N)=O)C1)C1CC1 ZINC001414017374 890035379 /nfs/dbraw/zinc/03/53/79/890035379.db2.gz OBPHUMBKYRELEH-MXWKQRLJSA-N 2 1 284.360 -2.040 20 0 CAADMP C[NH+](C[C@@H](O)C[N@H+]1C[C@H](C(N)=O)[C@H](C(N)=O)C1)C1CC1 ZINC001414017374 890035396 /nfs/dbraw/zinc/03/53/96/890035396.db2.gz OBPHUMBKYRELEH-MXWKQRLJSA-N 2 1 284.360 -2.040 20 0 CAADMP CC[C@@H](CNC(=O)[C@@H]1C[N@@H+](CC)CCO1)[NH2+]CC(N)=O ZINC001419267750 890317022 /nfs/dbraw/zinc/31/70/22/890317022.db2.gz HVXATAUMNYJCQO-QWRGUYRKSA-N 2 1 286.376 -1.323 20 0 CAADMP C[C@@H]1[C@H](C(=O)NCC[NH2+]CC(=O)NC(N)=O)CC[N@H+]1C ZINC001127643745 884058207 /nfs/dbraw/zinc/05/82/07/884058207.db2.gz JTYGNDAFIPWZDC-RKDXNWHRSA-N 2 1 285.348 -1.773 20 0 CAADMP C[C@H]([NH2+]CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C(N)=O ZINC001127638828 884058259 /nfs/dbraw/zinc/05/82/59/884058259.db2.gz RNWRSETVWCWFQQ-IVZWLZJFSA-N 2 1 256.350 -1.094 20 0 CAADMP CC[N@@H+]1CCO[C@H](C(=O)NCC[NH2+][C@H]2CCN(C)C2=O)C1 ZINC001151739356 884063887 /nfs/dbraw/zinc/06/38/87/884063887.db2.gz LFHOVCORXVWOMZ-RYUDHWBXSA-N 2 1 298.387 -1.356 20 0 CAADMP CC[N@H+]1CCO[C@H](C(=O)NCC[NH2+][C@H]2CCN(C)C2=O)C1 ZINC001151739356 884063905 /nfs/dbraw/zinc/06/39/05/884063905.db2.gz LFHOVCORXVWOMZ-RYUDHWBXSA-N 2 1 298.387 -1.356 20 0 CAADMP CC[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+][C@H]2CCN(C)C2=O)C1 ZINC001151739355 884063950 /nfs/dbraw/zinc/06/39/50/884063950.db2.gz LFHOVCORXVWOMZ-NWDGAFQWSA-N 2 1 298.387 -1.356 20 0 CAADMP CC[N@H+]1CCO[C@@H](C(=O)NCC[NH2+][C@H]2CCN(C)C2=O)C1 ZINC001151739355 884063965 /nfs/dbraw/zinc/06/39/65/884063965.db2.gz LFHOVCORXVWOMZ-NWDGAFQWSA-N 2 1 298.387 -1.356 20 0 CAADMP CC[N@@H+]1CCO[C@H](C(=O)NCC[NH2+][C@@H]2CCN(C)C2=O)C1 ZINC001151739354 884064147 /nfs/dbraw/zinc/06/41/47/884064147.db2.gz LFHOVCORXVWOMZ-NEPJUHHUSA-N 2 1 298.387 -1.356 20 0 CAADMP CC[N@H+]1CCO[C@H](C(=O)NCC[NH2+][C@@H]2CCN(C)C2=O)C1 ZINC001151739354 884064162 /nfs/dbraw/zinc/06/41/62/884064162.db2.gz LFHOVCORXVWOMZ-NEPJUHHUSA-N 2 1 298.387 -1.356 20 0 CAADMP C[NH+](C)C[C@]1(O)CCN(c2nc(N)nc(N)[nH+]2)C1 ZINC001307189395 884119240 /nfs/dbraw/zinc/11/92/40/884119240.db2.gz FMDXQIAIQCDNGP-SNVBAGLBSA-N 2 1 253.310 -1.461 20 0 CAADMP CNC(=O)C[NH2+][C@H](C)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001317228050 884178757 /nfs/dbraw/zinc/17/87/57/884178757.db2.gz DYTYDISRRKQXBZ-NXEZZACHSA-N 2 1 256.350 -1.079 20 0 CAADMP CN(CC[NH2+]Cc1nnnn1C)C(=O)CC[NH+](C)C ZINC001317623676 884230332 /nfs/dbraw/zinc/23/03/32/884230332.db2.gz MOTOOGCVYXQSBM-UHFFFAOYSA-N 2 1 269.353 -1.290 20 0 CAADMP CN(CC[NH2+]CC(=O)NC(N)=O)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001317654089 884230633 /nfs/dbraw/zinc/23/06/33/884230633.db2.gz IATUFJBUEPPTPC-JTQLQIEISA-N 2 1 299.375 -1.429 20 0 CAADMP C[C@H]([NH2+]CCN(C)C(=O)[C@@H]1CC[N@@H+](C)C1)C(N)=O ZINC001317662115 884235859 /nfs/dbraw/zinc/23/58/59/884235859.db2.gz UPJBOPVNNBYMII-VHSXEESVSA-N 2 1 256.350 -1.140 20 0 CAADMP C[C@H]([NH2+]CCN(C)C(=O)[C@H]1CC[N@@H+](C)C1)C(N)=O ZINC001317662114 884236609 /nfs/dbraw/zinc/23/66/09/884236609.db2.gz UPJBOPVNNBYMII-UWVGGRQHSA-N 2 1 256.350 -1.140 20 0 CAADMP C[C@@H]([NH2+]CCN(C)C(=O)[C@H]1CC[N@@H+](C)C1)C(N)=O ZINC001317662117 884237425 /nfs/dbraw/zinc/23/74/25/884237425.db2.gz UPJBOPVNNBYMII-ZJUUUORDSA-N 2 1 256.350 -1.140 20 0 CAADMP CC[N@@H+]1CCO[C@H](C(=O)N(C)CC[NH2+]CC(N)=O)C1 ZINC001317666255 884237745 /nfs/dbraw/zinc/23/77/45/884237745.db2.gz UFIJMLBTMCVJIP-JTQLQIEISA-N 2 1 272.349 -1.760 20 0 CAADMP CC[N@H+]1CCO[C@H](C(=O)N(C)CC[NH2+]CC(N)=O)C1 ZINC001317666255 884237766 /nfs/dbraw/zinc/23/77/66/884237766.db2.gz UFIJMLBTMCVJIP-JTQLQIEISA-N 2 1 272.349 -1.760 20 0 CAADMP C[N@H+]1CCC[C@H]1C(=O)NC[C@H](O)C[NH2+]CCCO ZINC001320204183 884387151 /nfs/dbraw/zinc/38/71/51/884387151.db2.gz OPCQBNQDYJLZIP-MNOVXSKESA-N 2 1 259.350 -1.470 20 0 CAADMP Cc1c[nH+]cn1CC(=O)NC[C@@H](O)C[NH2+]CC(N)=O ZINC001320250905 884403201 /nfs/dbraw/zinc/40/32/01/884403201.db2.gz VKRDXYKSKHNBJZ-VIFPVBQESA-N 2 1 269.305 -2.256 20 0 CAADMP O=C(CC[NH+]1CCOCC1)NC[C@H](O)C[NH2+]CCO ZINC001320286021 884408883 /nfs/dbraw/zinc/40/88/83/884408883.db2.gz HVFGWGXLTGDMQH-LLVKDONJSA-N 2 1 275.349 -2.232 20 0 CAADMP CC[NH2+]C[C@H](O)CNC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001320315905 884414150 /nfs/dbraw/zinc/41/41/50/884414150.db2.gz VZTBOEFNRITTCX-WDEREUQCSA-N 2 1 259.350 -1.206 20 0 CAADMP CC[NH2+]C[C@H](O)CNC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001320315905 884414158 /nfs/dbraw/zinc/41/41/58/884414158.db2.gz VZTBOEFNRITTCX-WDEREUQCSA-N 2 1 259.350 -1.206 20 0 CAADMP CC[N@@H+]1CCO[C@H](C(=O)NC[C@@H](O)C[NH2+]CCOC)C1 ZINC001320312205 884414842 /nfs/dbraw/zinc/41/48/42/884414842.db2.gz GUSWWXPLSDCXSL-RYUDHWBXSA-N 2 1 289.376 -1.580 20 0 CAADMP CC[N@H+]1CCO[C@H](C(=O)NC[C@@H](O)C[NH2+]CCOC)C1 ZINC001320312205 884414850 /nfs/dbraw/zinc/41/48/50/884414850.db2.gz GUSWWXPLSDCXSL-RYUDHWBXSA-N 2 1 289.376 -1.580 20 0 CAADMP CNC(=O)C[NH2+]CC[C@@H](C)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001320375413 884418519 /nfs/dbraw/zinc/41/85/19/884418519.db2.gz HUYXWFOJUOAWOA-GHMZBOCLSA-N 2 1 286.376 -1.453 20 0 CAADMP CNC(=O)C[NH2+]CC[C@@H](C)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001320375419 884418437 /nfs/dbraw/zinc/41/84/37/884418437.db2.gz HUYXWFOJUOAWOA-MNOVXSKESA-N 2 1 286.376 -1.453 20 0 CAADMP CNC(=O)C[NH2+]CC[C@@H](C)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001320375419 884418447 /nfs/dbraw/zinc/41/84/47/884418447.db2.gz HUYXWFOJUOAWOA-MNOVXSKESA-N 2 1 286.376 -1.453 20 0 CAADMP CNC(=O)C[NH2+]CC[C@H](C)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001320375420 884418470 /nfs/dbraw/zinc/41/84/70/884418470.db2.gz HUYXWFOJUOAWOA-QWRGUYRKSA-N 2 1 286.376 -1.453 20 0 CAADMP CNC(=O)C[NH2+]CC[C@H](C)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001320375420 884418477 /nfs/dbraw/zinc/41/84/77/884418477.db2.gz HUYXWFOJUOAWOA-QWRGUYRKSA-N 2 1 286.376 -1.453 20 0 CAADMP C[C@H](CC[NH2+]CC(=O)NC(N)=O)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001320373158 884418663 /nfs/dbraw/zinc/41/86/63/884418663.db2.gz UJNWDRXJPZYXNT-ZJUUUORDSA-N 2 1 299.375 -1.240 20 0 CAADMP CCN(CC[NH2+]CC(N)=O)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001320920173 884455894 /nfs/dbraw/zinc/45/58/94/884455894.db2.gz BLXLUNRHNVQOKG-JTQLQIEISA-N 2 1 256.350 -1.139 20 0 CAADMP C[C@@H]([NH2+]C/C=C\CNC(=O)CC[NH+]1CCOCC1)C(N)=O ZINC001321295248 884484805 /nfs/dbraw/zinc/48/48/05/884484805.db2.gz WYVUXTVYDNMYFW-ZZKXABKFSA-N 2 1 298.387 -1.156 20 0 CAADMP CC[N@@H+]1CCO[C@H](C(=O)NC/C=C\C[NH2+]CC(=O)NC)C1 ZINC001321401627 884494481 /nfs/dbraw/zinc/49/44/81/884494481.db2.gz ALOUDCNWGOTQAF-RXNFCKPNSA-N 2 1 298.387 -1.285 20 0 CAADMP CC[N@H+]1CCO[C@H](C(=O)NC/C=C\C[NH2+]CC(=O)NC)C1 ZINC001321401627 884494485 /nfs/dbraw/zinc/49/44/85/884494485.db2.gz ALOUDCNWGOTQAF-RXNFCKPNSA-N 2 1 298.387 -1.285 20 0 CAADMP Cc1[nH+]ccn1CC(=O)N(CCO)CC[NH2+]CC(N)=O ZINC001326149584 884770512 /nfs/dbraw/zinc/77/05/12/884770512.db2.gz YRQQUGDCDOVDDK-UHFFFAOYSA-N 2 1 283.332 -1.913 20 0 CAADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)CNC(=O)C[NH3+])C1 ZINC001326340341 884784059 /nfs/dbraw/zinc/78/40/59/884784059.db2.gz JEEAJEUTDBMOJB-JTQLQIEISA-N 2 1 256.350 -1.139 20 0 CAADMP C[N@H+](C[C@@H](O)C[NH2+]C[C@H](O)Cn1ccnn1)C1CC1 ZINC001326520237 884805000 /nfs/dbraw/zinc/80/50/00/884805000.db2.gz ZDCHIRQSJRNMDK-RYUDHWBXSA-N 2 1 269.349 -1.316 20 0 CAADMP C[N@@H+](C[C@@H](O)C[NH2+]C[C@H](O)Cn1ccnn1)C1CC1 ZINC001326520237 884805011 /nfs/dbraw/zinc/80/50/11/884805011.db2.gz ZDCHIRQSJRNMDK-RYUDHWBXSA-N 2 1 269.349 -1.316 20 0 CAADMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCC1(CO)COC1 ZINC001326907778 884845528 /nfs/dbraw/zinc/84/55/28/884845528.db2.gz XSMQSVQVDKWRJL-UHFFFAOYSA-N 2 1 286.376 -1.168 20 0 CAADMP C[NH2+][C@@H](C)CCNC(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC001327160216 884868357 /nfs/dbraw/zinc/86/83/57/884868357.db2.gz NGPNYYCDKKEGBR-SDDRHHMPSA-N 2 1 298.387 -1.622 20 0 CAADMP CN(CCC[NH3+])C(=O)C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC001327470596 884890858 /nfs/dbraw/zinc/89/08/58/884890858.db2.gz FEBWIUYESUDYMA-NSHDSACASA-N 2 1 285.392 -1.844 20 0 CAADMP O[C@@H]1C[NH+](C/C=C/C[N@H+]2C[C@@H](O)[C@@H](O)C2)C[C@@H]1O ZINC001327617967 884914472 /nfs/dbraw/zinc/91/44/72/884914472.db2.gz YFIXVUYEFJFCRU-WTYPTZRFSA-N 2 1 258.318 -2.383 20 0 CAADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C1=NO[C@@H](C[NH3+])C1 ZINC001327929139 884940543 /nfs/dbraw/zinc/94/05/43/884940543.db2.gz OAJOFZMTEKMFFB-NXEZZACHSA-N 2 1 269.349 -1.548 20 0 CAADMP C[N@H+]1CC[C@@H](C(=O)N2CCC(O)(C[NH2+]CCO)CC2)C1 ZINC001328217647 884961609 /nfs/dbraw/zinc/96/16/09/884961609.db2.gz KMAGRISYSWRXHS-GFCCVEGCSA-N 2 1 285.388 -1.127 20 0 CAADMP CN(C)C(=O)[C@H]1C[N@@H+](CCN2CC[NH2+]CC2)CCN1 ZINC001328493817 884991046 /nfs/dbraw/zinc/99/10/46/884991046.db2.gz YJKIFAWHSDTXJL-GFCCVEGCSA-N 2 1 269.393 -1.746 20 0 CAADMP C[NH2+]CCOCCNC(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC001328959436 885037323 /nfs/dbraw/zinc/03/73/23/885037323.db2.gz OAKDAHKJMDZNAK-GFCCVEGCSA-N 2 1 287.408 -1.233 20 0 CAADMP Nc1nc(N)[nH+]c(N2CCC([NH2+]CCO)CC2)n1 ZINC001329175503 885075315 /nfs/dbraw/zinc/07/53/15/885075315.db2.gz VEXVMRQBXUUQNC-UHFFFAOYSA-N 2 1 253.310 -1.413 20 0 CAADMP [NH3+]C1CCN(C(=O)C(=O)NCCC[NH+]2CCOCC2)CC1 ZINC001329292807 885088120 /nfs/dbraw/zinc/08/81/20/885088120.db2.gz LPEGOJGRMLBASU-UHFFFAOYSA-N 2 1 298.387 -1.225 20 0 CAADMP O=C(CC[N@@H+]1CC[C@@H](O)[C@@H](O)C1)N1CC[NH2+]CC1 ZINC001329374710 885095916 /nfs/dbraw/zinc/09/59/16/885095916.db2.gz FGWDBMUPOLOEMN-MNOVXSKESA-N 2 1 257.334 -1.764 20 0 CAADMP C[C@H]([NH3+])CCNC(=O)C(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001330859137 885233311 /nfs/dbraw/zinc/23/33/11/885233311.db2.gz BLTUTGXUXJULPP-TUAOUCFPSA-N 2 1 298.387 -1.181 20 0 CAADMP C[C@H]([NH3+])CCNC(=O)C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001330859134 885235372 /nfs/dbraw/zinc/23/53/72/885235372.db2.gz BLTUTGXUXJULPP-SDDRHHMPSA-N 2 1 298.387 -1.181 20 0 CAADMP C[C@H]([NH3+])CCNC(=O)C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001330859132 885235450 /nfs/dbraw/zinc/23/54/50/885235450.db2.gz BLTUTGXUXJULPP-QJPTWQEYSA-N 2 1 298.387 -1.181 20 0 CAADMP C[C@@H](NC(=O)C(=O)NCC[C@H](C)[NH3+])[C@@H]1C[N@H+](C)CCO1 ZINC001330860300 885236873 /nfs/dbraw/zinc/23/68/73/885236873.db2.gz PWKPJYYWLGUZCG-AXFHLTTASA-N 2 1 286.376 -1.325 20 0 CAADMP COCC[N@@H+](C)CCNC(=O)C(=O)NCC[C@H](C)[NH3+] ZINC001330869357 885237390 /nfs/dbraw/zinc/23/73/90/885237390.db2.gz CWPBKVIYUODIFV-JTQLQIEISA-N 2 1 274.365 -1.466 20 0 CAADMP C[C@H]([NH3+])CCNC(=O)C(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC001330860301 885237521 /nfs/dbraw/zinc/23/75/21/885237521.db2.gz PWKPJYYWLGUZCG-DCAQKATOSA-N 2 1 286.376 -1.325 20 0 CAADMP C[C@H]([NH3+])CCNC(=O)C(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCO1 ZINC001330860301 885237536 /nfs/dbraw/zinc/23/75/36/885237536.db2.gz PWKPJYYWLGUZCG-DCAQKATOSA-N 2 1 286.376 -1.325 20 0 CAADMP CN1CCN(C(=O)C[N@@H+](C)C[C@@H]2CNC(=O)C2)CC1 ZINC001331142510 885254847 /nfs/dbraw/zinc/25/48/47/885254847.db2.gz BSPYBWKIZMSDLB-NSHDSACASA-N 2 1 268.361 -1.172 20 0 CAADMP C[C@H](NC(=O)C(=O)NC[C@H]1C[C@@H]([NH3+])C1)[C@@H]1C[N@H+](C)CCO1 ZINC001331148654 885256039 /nfs/dbraw/zinc/25/60/39/885256039.db2.gz GQQKVTHYUBFBAB-YFKTTZPYSA-N 2 1 298.387 -1.325 20 0 CAADMP C[C@H](NC(=O)C(=O)NC[C@H]1C[C@@H]([NH3+])C1)[C@@H]1C[N@@H+](C)CCO1 ZINC001331148654 885256056 /nfs/dbraw/zinc/25/60/56/885256056.db2.gz GQQKVTHYUBFBAB-YFKTTZPYSA-N 2 1 298.387 -1.325 20 0 CAADMP C[C@H]([NH3+])CN(C)C(=O)C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC001331731441 885326954 /nfs/dbraw/zinc/32/69/54/885326954.db2.gz MWDSRFSWZAOGFW-QWRGUYRKSA-N 2 1 285.392 -1.846 20 0 CAADMP NC(=O)C[C@H]1C[N@H+](CCN2CC[NH2+]CC2)CCO1 ZINC001331847723 885357425 /nfs/dbraw/zinc/35/74/25/885357425.db2.gz PDZRKXVYRKGKPE-NSHDSACASA-N 2 1 256.350 -1.532 20 0 CAADMP NC(=O)C[C@H]1C[N@@H+](CCN2CC[NH2+]CC2)CCO1 ZINC001331847723 885357448 /nfs/dbraw/zinc/35/74/48/885357448.db2.gz PDZRKXVYRKGKPE-NSHDSACASA-N 2 1 256.350 -1.532 20 0 CAADMP [NH3+]Cc1ocnc1C(=O)NCCN1CC[NH2+]CC1 ZINC001331957635 885369396 /nfs/dbraw/zinc/36/93/96/885369396.db2.gz MJKAEGUENXIJCW-UHFFFAOYSA-N 2 1 253.306 -1.232 20 0 CAADMP C[N@@H+](C[C@H](O)C[NH3+])C[C@@H](O)COC[C@H]1CCCO1 ZINC001332334987 885401229 /nfs/dbraw/zinc/40/12/29/885401229.db2.gz QIDGBMIDSYUAAX-IJLUTSLNSA-N 2 1 262.350 -1.206 20 0 CAADMP C[N@@H+](C[C@H](O)C[NH3+])C[C@H](O)COC[C@H]1CCCO1 ZINC001332334986 885401258 /nfs/dbraw/zinc/40/12/58/885401258.db2.gz QIDGBMIDSYUAAX-GRYCIOLGSA-N 2 1 262.350 -1.206 20 0 CAADMP C[C@H]1CC[N@@H+](CC(=O)N(C)C[C@@H](O)C[NH2+]CCO)C1 ZINC001332566305 885420996 /nfs/dbraw/zinc/42/09/96/885420996.db2.gz NROVOGVCMYEKNN-RYUDHWBXSA-N 2 1 273.377 -1.271 20 0 CAADMP C[C@@H]([NH3+])CN1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC001332816508 885439674 /nfs/dbraw/zinc/43/96/74/885439674.db2.gz UZYHHMBLDWEPRR-SECBINFHSA-N 2 1 262.379 -1.747 20 0 CAADMP [NH2+]=C(NCCC[NH+]1CCOCC1)NC[C@H]1CNC(=O)C1 ZINC001333039639 885453833 /nfs/dbraw/zinc/45/38/33/885453833.db2.gz GHBOLQIOADXKFS-LLVKDONJSA-N 2 1 283.376 -1.041 20 0 CAADMP [NH2+]=C(NCCC[NH+]1CCOCC1)NC[C@@H]1CNC(=O)C1 ZINC001333039641 885454445 /nfs/dbraw/zinc/45/44/45/885454445.db2.gz GHBOLQIOADXKFS-NSHDSACASA-N 2 1 283.376 -1.041 20 0 CAADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)NCCC(C)(C)[NH3+] ZINC001333378598 885475264 /nfs/dbraw/zinc/47/52/64/885475264.db2.gz MLCDLHKCONGCPZ-LLVKDONJSA-N 2 1 299.419 -1.408 20 0 CAADMP C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)NCC3C[NH2+]C3)CC[C@@H]21 ZINC001333423039 885477446 /nfs/dbraw/zinc/47/74/46/885477446.db2.gz OIRRTAOKNBZTAH-NEPJUHHUSA-N 2 1 280.372 -1.125 20 0 CAADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)N[C@H]1CC[NH2+]C1 ZINC001333533023 885486978 /nfs/dbraw/zinc/48/69/78/885486978.db2.gz UQTCQMIAUNRJAC-QWRGUYRKSA-N 2 1 255.366 -1.107 20 0 CAADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)N[C@H]1CC[NH2+]C1 ZINC001333533024 885487048 /nfs/dbraw/zinc/48/70/48/885487048.db2.gz UQTCQMIAUNRJAC-WDEREUQCSA-N 2 1 255.366 -1.107 20 0 CAADMP CN1CC[N@H+](C)C[C@@H]1CN1C(=O)N[C@H](C[NH+](C)C)C1=O ZINC001333582381 885493953 /nfs/dbraw/zinc/49/39/53/885493953.db2.gz ISDKMNBMHJQXOV-GHMZBOCLSA-N 2 1 283.376 -1.286 20 0 CAADMP CN1CC[N@@H+](C)C[C@@H]1CN1C(=O)N[C@H](C[NH+](C)C)C1=O ZINC001333582381 885493963 /nfs/dbraw/zinc/49/39/63/885493963.db2.gz ISDKMNBMHJQXOV-GHMZBOCLSA-N 2 1 283.376 -1.286 20 0 CAADMP CO[C@@H](C[NH3+])C(=O)N1CC[NH2+]C[C@@H]1c1nccn1C ZINC001333643205 885498711 /nfs/dbraw/zinc/49/87/11/885498711.db2.gz MVZVSFUFVQZALO-ZJUUUORDSA-N 2 1 267.333 -1.133 20 0 CAADMP O=C(N[C@@H]1CC[N@H+](C2CC2)C1)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC001333942281 885513002 /nfs/dbraw/zinc/51/30/02/885513002.db2.gz DGOCOCOZJAKOTJ-SCVCMEIPSA-N 2 1 278.356 -1.088 20 0 CAADMP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)NC[C@H]2C[C@@H]([NH3+])C2)C1 ZINC001333960382 885513383 /nfs/dbraw/zinc/51/33/83/885513383.db2.gz UWEBHHZZZMATNJ-GRYCIOLGSA-N 2 1 298.387 -1.323 20 0 CAADMP [NH3+][C@H]1C[C@H](CNC(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)C1 ZINC001334004874 885516030 /nfs/dbraw/zinc/51/60/30/885516030.db2.gz HNIJPGIBILRKRK-FIQHERPVSA-N 2 1 296.371 -1.883 20 0 CAADMP OCC[NH+]1CCN(C[C@H]2CC3(C[NH2+]C3)CO2)CC1 ZINC001335191126 885589192 /nfs/dbraw/zinc/58/91/92/885589192.db2.gz ZKVZMWYKGYNLFF-GFCCVEGCSA-N 2 1 255.362 -1.025 20 0 CAADMP CN1CC[C@H]1CNC(=O)C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC001335593164 885624164 /nfs/dbraw/zinc/62/41/64/885624164.db2.gz FOPZONRRYQHOSY-RYUDHWBXSA-N 2 1 297.403 -1.831 20 0 CAADMP CN1CC[C@H]1CNC(=O)C(=O)NC[C@H]1CN(C)CCN1C ZINC001335593164 885624178 /nfs/dbraw/zinc/62/41/78/885624178.db2.gz FOPZONRRYQHOSY-RYUDHWBXSA-N 2 1 297.403 -1.831 20 0 CAADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)[C@@H]1[NH2+]C[C@@H]2C[C@@H]21 ZINC001335843448 885639920 /nfs/dbraw/zinc/63/99/20/885639920.db2.gz NHXIWIHXVPVTHL-WHOHXGKFSA-N 2 1 252.362 -1.044 20 0 CAADMP C[C@@H]1C[NH2+]C[C@H]1NC(=O)NC[C@]1(O)CC[N@@H+](C)C1 ZINC001336163281 885649926 /nfs/dbraw/zinc/64/99/26/885649926.db2.gz MWRJGZMNNDYDNQ-CKYFFXLPSA-N 2 1 256.350 -1.040 20 0 CAADMP O[C@@H]1C[NH+](CCCC[N@H+]2C[C@@H](O)[C@@H](O)C2)C[C@@H]1O ZINC001336384688 885660208 /nfs/dbraw/zinc/66/02/08/885660208.db2.gz SSJGKTMWPIODES-BKUVIOGVSA-N 2 1 260.334 -2.159 20 0 CAADMP C[C@H](NC(=O)C(=O)N[C@H]1C[C@H](C[NH3+])C1)[C@@H]1C[N@H+](C)CCO1 ZINC001336631427 885672001 /nfs/dbraw/zinc/67/20/01/885672001.db2.gz PRQYGGIUVJSSIG-BJDJZHNGSA-N 2 1 298.387 -1.325 20 0 CAADMP C[C@H](NC(=O)C(=O)N[C@H]1C[C@H](C[NH3+])C1)[C@@H]1C[N@@H+](C)CCO1 ZINC001336631427 885672011 /nfs/dbraw/zinc/67/20/11/885672011.db2.gz PRQYGGIUVJSSIG-BJDJZHNGSA-N 2 1 298.387 -1.325 20 0 CAADMP [NH3+][C@H]1C[C@H](CNC(=O)C(=O)NCCC[NH+]2CCOCC2)C1 ZINC001337455958 885702566 /nfs/dbraw/zinc/70/25/66/885702566.db2.gz QUDKNKTYBNPHPR-HAQNSBGRSA-N 2 1 298.387 -1.322 20 0 CAADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCN3[C@@H](CNS3(=O)=O)C2)C1 ZINC001337838362 885725987 /nfs/dbraw/zinc/72/59/87/885725987.db2.gz OGAGWBDYPWVZPB-AEJSXWLSSA-N 2 1 260.363 -1.442 20 0 CAADMP CN1CC[NH+](CCCNC(=O)[C@@]2(C)C[C@@H](O)C[NH2+]2)CC1 ZINC001340114767 885790342 /nfs/dbraw/zinc/79/03/42/885790342.db2.gz WSUZEFYPAFHHDY-TZMCWYRMSA-N 2 1 284.404 -1.147 20 0 CAADMP CN1CC[NH+](CCCNC(=O)[C@@]2(C)C[C@H](O)C[NH2+]2)CC1 ZINC001340114763 885792051 /nfs/dbraw/zinc/79/20/51/885792051.db2.gz WSUZEFYPAFHHDY-GXTWGEPZSA-N 2 1 284.404 -1.147 20 0 CAADMP C[C@@H]1C[N@H+](CCCNC(=O)[C@H]([NH3+])CO)C[C@H](C)O1 ZINC001340155578 885793985 /nfs/dbraw/zinc/79/39/85/885793985.db2.gz RDLXTVVXXOAPHL-OUAUKWLOSA-N 2 1 259.350 -1.079 20 0 CAADMP C[N@H+]1CCC[C@H](N2CCN(C(=O)CNCC[NH3+])CC2)C1 ZINC001340249676 885799120 /nfs/dbraw/zinc/79/91/20/885799120.db2.gz QTYYYLFQQZLGEQ-ZDUSSCGKSA-N 2 1 283.420 -1.227 20 0 CAADMP [NH3+]C[C@@H](O)CC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC001340738066 885811921 /nfs/dbraw/zinc/81/19/21/885811921.db2.gz DFNRDILCKOETLE-MNOVXSKESA-N 2 1 257.334 -1.371 20 0 CAADMP CN(C)c1[nH+]cc(CNC(=O)C[C@@H](O)C[NH3+])n1C ZINC001340866606 885820678 /nfs/dbraw/zinc/82/06/78/885820678.db2.gz ZAUJJBVDIHHAAD-SECBINFHSA-N 2 1 255.322 -1.188 20 0 CAADMP COC(=O)CC[N@@H+]1CCN(C(=O)CNCC[NH3+])C[C@H]1C ZINC001341073027 885824975 /nfs/dbraw/zinc/82/49/75/885824975.db2.gz RGIXGIZHKWDZMV-LLVKDONJSA-N 2 1 286.376 -1.370 20 0 CAADMP COC(=O)CC[N@H+]1CCN(C(=O)CNCC[NH3+])C[C@H]1C ZINC001341073027 885824986 /nfs/dbraw/zinc/82/49/86/885824986.db2.gz RGIXGIZHKWDZMV-LLVKDONJSA-N 2 1 286.376 -1.370 20 0 CAADMP C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)NCCN1CC[NH2+]CC1 ZINC001341245442 885832279 /nfs/dbraw/zinc/83/22/79/885832279.db2.gz XNMLDOMMZSFJDZ-OLZOCXBDSA-N 2 1 281.404 -1.604 20 0 CAADMP C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)N[C@@H]1C[NH2+]C[C@@H]1O ZINC001341418844 885838084 /nfs/dbraw/zinc/83/80/84/885838084.db2.gz VMIJGOAWEYNKEL-ZNSHCXBVSA-N 2 1 254.334 -2.176 20 0 CAADMP C[NH+](C)CCN1CCC(CNC(=O)CNCC[NH3+])CC1 ZINC001341570072 885846867 /nfs/dbraw/zinc/84/68/67/885846867.db2.gz VLAZLEGHWKQWSU-UHFFFAOYSA-N 2 1 285.436 -1.076 20 0 CAADMP COC(=O)C[C@H](C)[NH+]1CCN(C(=O)CNCC[NH3+])CC1 ZINC001341742710 885854294 /nfs/dbraw/zinc/85/42/94/885854294.db2.gz OBVDASNATPVTFY-NSHDSACASA-N 2 1 286.376 -1.370 20 0 CAADMP C[C@H](CNC(=O)[C@H]1C[NH2+]CCN1C)CN1CC[NH+](C)CC1 ZINC001341731905 885855589 /nfs/dbraw/zinc/85/55/89/885855589.db2.gz HGZMEIOQTVJMHT-ZIAGYGMSSA-N 2 1 297.447 -1.110 20 0 CAADMP C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC001341847108 885862102 /nfs/dbraw/zinc/86/21/02/885862102.db2.gz KAADGGASQMFALT-WOPDTQHZSA-N 2 1 268.361 -1.521 20 0 CAADMP [NH3+][C@H](CO)C(=O)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC001341922443 885864344 /nfs/dbraw/zinc/86/43/44/885864344.db2.gz CAKPEBSEQYBLQS-OUAUKWLOSA-N 2 1 257.334 -1.636 20 0 CAADMP [NH3+][C@H](CO)C(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC001341922442 885864602 /nfs/dbraw/zinc/86/46/02/885864602.db2.gz CAKPEBSEQYBLQS-MXWKQRLJSA-N 2 1 257.334 -1.636 20 0 CAADMP C[NH2+]C[C@H](O)[C@@H](C)C(=O)N1CC[N@H+](C)C[C@@H]1CO ZINC001342032736 885867153 /nfs/dbraw/zinc/86/71/53/885867153.db2.gz ASKVGRFEZNORMI-MXWKQRLJSA-N 2 1 259.350 -1.662 20 0 CAADMP C[NH2+]C[C@H](O)[C@@H](C)C(=O)N1CC[N@@H+](C)C[C@@H]1CO ZINC001342032736 885867171 /nfs/dbraw/zinc/86/71/71/885867171.db2.gz ASKVGRFEZNORMI-MXWKQRLJSA-N 2 1 259.350 -1.662 20 0 CAADMP C[C@H](NC(=O)COCC[NH3+])[C@H]1C[N@@H+](C)CCN1C ZINC001342035736 885867319 /nfs/dbraw/zinc/86/73/19/885867319.db2.gz NWZBXGYDJHQZNT-WDEREUQCSA-N 2 1 258.366 -1.288 20 0 CAADMP C[NH2+]CC(=O)NC[C@@]1(CO)COC[C@@H]2CCC[N@H+]21 ZINC001342043335 885869560 /nfs/dbraw/zinc/86/95/60/885869560.db2.gz IZZUDEIMWKEOJQ-CMPLNLGQSA-N 2 1 257.334 -1.452 20 0 CAADMP O=C(C[NH+]1CCC(CO)CC1)N[C@@H]1C[NH2+]C[C@@H]1O ZINC001342176039 885876619 /nfs/dbraw/zinc/87/66/19/885876619.db2.gz MYUNEAZUEJWRRO-MNOVXSKESA-N 2 1 257.334 -1.860 20 0 CAADMP C[C@H]1Cn2nc(C(=O)N[C@@H]3C[NH2+]C[C@@H]3O)cc2C[NH2+]1 ZINC001342265344 885880547 /nfs/dbraw/zinc/88/05/47/885880547.db2.gz LOSAHXYHOIVYIF-XROYCOCOSA-N 2 1 265.317 -1.563 20 0 CAADMP C[C@@H]1Cn2nc(C(=O)N[C@@H]3C[NH2+]C[C@@H]3O)cc2C[NH2+]1 ZINC001342265343 885880854 /nfs/dbraw/zinc/88/08/54/885880854.db2.gz LOSAHXYHOIVYIF-ONOSFVFSSA-N 2 1 265.317 -1.563 20 0 CAADMP C[C@H](NC(=O)CN1CC[NH2+]CC1)[C@H]1C[N@@H+](C)CCN1C ZINC001342717615 885897828 /nfs/dbraw/zinc/89/78/28/885897828.db2.gz MQVKCUQOZQFYBI-QWHCGFSZSA-N 2 1 283.420 -1.358 20 0 CAADMP [NH3+]CCNCC(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC001343353385 885913797 /nfs/dbraw/zinc/91/37/97/885913797.db2.gz DEXMTMFGYOETQO-GFCCVEGCSA-N 2 1 270.377 -1.142 20 0 CAADMP C[C@H](CNC(=O)C[C@H](O)C[NH3+])C[NH+]1CCOCC1 ZINC001343409447 885914898 /nfs/dbraw/zinc/91/48/98/885914898.db2.gz ODPYLINZISRYQS-MNOVXSKESA-N 2 1 259.350 -1.219 20 0 CAADMP C[C@@H](CNC(=O)C[C@@H](O)C[NH3+])C[NH+]1CCOCC1 ZINC001343409451 885915514 /nfs/dbraw/zinc/91/55/14/885915514.db2.gz ODPYLINZISRYQS-WDEREUQCSA-N 2 1 259.350 -1.219 20 0 CAADMP C[C@@H](C(=O)N[C@@H]1C[NH2+]C[C@@H]1O)N1CC[NH+](C)CC1 ZINC001344081263 885934028 /nfs/dbraw/zinc/93/40/28/885934028.db2.gz JRLPKOYGHSJWNQ-AXFHLTTASA-N 2 1 256.350 -1.929 20 0 CAADMP [NH3+]CC(=O)NCC(=O)N1CC[NH2+]C[C@H]1C(F)F ZINC001346046297 885981553 /nfs/dbraw/zinc/98/15/53/885981553.db2.gz HKKHXCFZBHVGQJ-LURJTMIESA-N 2 1 250.249 -1.873 20 0 CAADMP C(C[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1)N1CC[NH2+]CC1 ZINC001346029014 885981832 /nfs/dbraw/zinc/98/18/32/885981832.db2.gz RRESWXWFZNANMB-CQSZACIVSA-N 3 1 267.421 -1.129 20 0 CAADMP [NH3+]CC(=O)NCC(=O)N1CC[NH2+]C[C@@H]1C(F)F ZINC001346046299 885983062 /nfs/dbraw/zinc/98/30/62/885983062.db2.gz HKKHXCFZBHVGQJ-ZCFIWIBFSA-N 2 1 250.249 -1.873 20 0 CAADMP O=C(C[N@H+]1[C@@H]2CC[C@H]1CNC(=O)C2)N1CC[NH2+]CC1 ZINC001348423662 886082360 /nfs/dbraw/zinc/08/23/60/886082360.db2.gz USQTZVZGMLSKDM-MNOVXSKESA-N 2 1 266.345 -1.229 20 0 CAADMP O=C(C[N@@H+]1[C@@H]2CC[C@H]1CNC(=O)C2)N1CC[NH2+]CC1 ZINC001348423662 886082377 /nfs/dbraw/zinc/08/23/77/886082377.db2.gz USQTZVZGMLSKDM-MNOVXSKESA-N 2 1 266.345 -1.229 20 0 CAADMP C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)NC[C@@H]1C[NH+](C)CCN1C ZINC001348833185 886102670 /nfs/dbraw/zinc/10/26/70/886102670.db2.gz YPNDEAVEZIXOPI-MGPQQGTHSA-N 2 1 295.431 -1.263 20 0 CAADMP C[C@@H]1CN2CC[NH+]1C[C@@H]2C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC001348833185 886102689 /nfs/dbraw/zinc/10/26/89/886102689.db2.gz YPNDEAVEZIXOPI-MGPQQGTHSA-N 2 1 295.431 -1.263 20 0 CAADMP C[C@@H]1CN2CC[NH+]1C[C@@H]2C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC001348833185 886102709 /nfs/dbraw/zinc/10/27/09/886102709.db2.gz YPNDEAVEZIXOPI-MGPQQGTHSA-N 2 1 295.431 -1.263 20 0 CAADMP C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)NC[C@H]1C[NH+](C)CCN1C ZINC001348833188 886103042 /nfs/dbraw/zinc/10/30/42/886103042.db2.gz YPNDEAVEZIXOPI-RDBSUJKOSA-N 2 1 295.431 -1.263 20 0 CAADMP C[C@@H]1CN2CC[NH+]1C[C@H]2C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC001348833188 886103052 /nfs/dbraw/zinc/10/30/52/886103052.db2.gz YPNDEAVEZIXOPI-RDBSUJKOSA-N 2 1 295.431 -1.263 20 0 CAADMP C[C@@H]1CN2CC[NH+]1C[C@H]2C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC001348833188 886103059 /nfs/dbraw/zinc/10/30/59/886103059.db2.gz YPNDEAVEZIXOPI-RDBSUJKOSA-N 2 1 295.431 -1.263 20 0 CAADMP C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)NC[C@H]1C[NH+](C)CCN1C ZINC001348833058 886103498 /nfs/dbraw/zinc/10/34/98/886103498.db2.gz YPNDEAVEZIXOPI-HZSPNIEDSA-N 2 1 295.431 -1.263 20 0 CAADMP C[C@@H]1CN2CC[NH+]1C[C@@H]2C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC001348833058 886103503 /nfs/dbraw/zinc/10/35/03/886103503.db2.gz YPNDEAVEZIXOPI-HZSPNIEDSA-N 2 1 295.431 -1.263 20 0 CAADMP C[C@@H]1CN2CC[NH+]1C[C@@H]2C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC001348833058 886103508 /nfs/dbraw/zinc/10/35/08/886103508.db2.gz YPNDEAVEZIXOPI-HZSPNIEDSA-N 2 1 295.431 -1.263 20 0 CAADMP Cc1[nH+]ccn1CCCNC(=O)CNC(=O)C[NH3+] ZINC001349081983 886113408 /nfs/dbraw/zinc/11/34/08/886113408.db2.gz NADAYYWHDKOBDX-UHFFFAOYSA-N 2 1 253.306 -1.227 20 0 CAADMP CN1CCN(C(=O)CNC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001349254472 886119732 /nfs/dbraw/zinc/11/97/32/886119732.db2.gz FJLMLGPVZILEAZ-LLVKDONJSA-N 2 1 268.361 -1.172 20 0 CAADMP C[N@@H+]1CC[C@@H](C(=O)NCC(=O)N2CC[NH+](C)CC2)C1 ZINC001349254472 886119735 /nfs/dbraw/zinc/11/97/35/886119735.db2.gz FJLMLGPVZILEAZ-LLVKDONJSA-N 2 1 268.361 -1.172 20 0 CAADMP C[N@H+]1CC[C@@H](C(=O)NCC(=O)N2CC[NH+](C)CC2)C1 ZINC001349254472 886119738 /nfs/dbraw/zinc/11/97/38/886119738.db2.gz FJLMLGPVZILEAZ-LLVKDONJSA-N 2 1 268.361 -1.172 20 0 CAADMP COCC[N@@H+](C)CCNC(=O)C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC001350019729 886157120 /nfs/dbraw/zinc/15/71/20/886157120.db2.gz NKUUTSXTHPCNKC-XYPYZODXSA-N 2 1 286.376 -1.466 20 0 CAADMP [NH3+][C@H]1C[C@@H](CNC(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)C1 ZINC001350057599 886157330 /nfs/dbraw/zinc/15/73/30/886157330.db2.gz HNIJPGIBILRKRK-WHOHXGKFSA-N 2 1 296.371 -1.883 20 0 CAADMP C[NH2+]C[C@H](C)NC(=O)C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC001350330993 886163957 /nfs/dbraw/zinc/16/39/57/886163957.db2.gz CDDKNUYUEDNXAA-QWRGUYRKSA-N 2 1 285.392 -1.928 20 0 CAADMP O[C@@H]1CC[NH+](C/C=C/C[N@@H+]2CC[C@@H](O)[C@@H](O)C2)C[C@@H]1O ZINC001352925481 886251460 /nfs/dbraw/zinc/25/14/60/886251460.db2.gz MRDIWEDKHWXNEK-LLKIENLASA-N 2 1 286.372 -1.602 20 0 CAADMP C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC001353005278 886254382 /nfs/dbraw/zinc/25/43/82/886254382.db2.gz QRPLKERWUSLSCR-FRRDWIJNSA-N 2 1 281.404 -1.524 20 0 CAADMP C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC001353005280 886254756 /nfs/dbraw/zinc/25/47/56/886254756.db2.gz QRPLKERWUSLSCR-JHJVBQTASA-N 2 1 281.404 -1.524 20 0 CAADMP C[NH+]1CCN(C(=O)CCNC(=O)CNCC[NH3+])CC1 ZINC001353481136 886279475 /nfs/dbraw/zinc/27/94/75/886279475.db2.gz ADJIXIDOWMIMMX-UHFFFAOYSA-N 2 1 271.365 -2.185 20 0 CAADMP COCC[N@@H+](C)CCNC(=O)[C@]1(C)C[C@H](O)C[NH2+]1 ZINC001353526855 886280143 /nfs/dbraw/zinc/28/01/43/886280143.db2.gz PPWSLUIDXGLMMQ-JQWIXIFHSA-N 2 1 259.350 -1.206 20 0 CAADMP COCC[NH2+]CCNC(=O)[C@@H]1C[N@H+]2CCN1C[C@H]2C ZINC001353602458 886282357 /nfs/dbraw/zinc/28/23/57/886282357.db2.gz OLJLNDQPLNZWDV-NEPJUHHUSA-N 2 1 270.377 -1.273 20 0 CAADMP COCC[NH2+]CCNC(=O)[C@@H]1C[N@H+]2CCN1C[C@@H]2C ZINC001353602460 886283565 /nfs/dbraw/zinc/28/35/65/886283565.db2.gz OLJLNDQPLNZWDV-RYUDHWBXSA-N 2 1 270.377 -1.273 20 0 CAADMP O=C(CN1CC[NH2+]CC[NH2+]CC1)NCC(=O)N1CCCC1 ZINC001354185091 886303235 /nfs/dbraw/zinc/30/32/35/886303235.db2.gz PUHSLFKRGJTVRN-UHFFFAOYSA-N 2 1 297.403 -1.780 20 0 CAADMP C[NH+](C)CCOCCNC(=O)C(=O)NC[C@@H]1CC[N@@H+]1C ZINC001354697895 886323351 /nfs/dbraw/zinc/32/33/51/886323351.db2.gz SEBSCYAGSRLCPA-NSHDSACASA-N 2 1 286.376 -1.499 20 0 CAADMP C[NH+](C)CCOCCNC(=O)C(=O)NC[C@@H]1CC[N@H+]1C ZINC001354697895 886323363 /nfs/dbraw/zinc/32/33/63/886323363.db2.gz SEBSCYAGSRLCPA-NSHDSACASA-N 2 1 286.376 -1.499 20 0 CAADMP COCC[NH2+]CC(=O)N1CCN(C)CC[N@H+](C)CC1 ZINC001355442676 886341001 /nfs/dbraw/zinc/34/10/01/886341001.db2.gz WXXZBAOUEPTETF-UHFFFAOYSA-N 2 1 272.393 -1.072 20 0 CAADMP COCC[NH2+]CC(=O)N1CCN(C)CC[N@@H+](C)CC1 ZINC001355442676 886341009 /nfs/dbraw/zinc/34/10/09/886341009.db2.gz WXXZBAOUEPTETF-UHFFFAOYSA-N 2 1 272.393 -1.072 20 0 CAADMP C[N@@H+]1CCN(C(=O)[C@H]2CCCN(CC[NH3+])C2=O)[C@H](CO)C1 ZINC001356251618 886360531 /nfs/dbraw/zinc/36/05/31/886360531.db2.gz BXHBOVFLIKXHRI-RYUDHWBXSA-N 2 1 298.387 -1.681 20 0 CAADMP C[N@H+]1CCN(C(=O)[C@H]2CCCN(CC[NH3+])C2=O)[C@H](CO)C1 ZINC001356251618 886360550 /nfs/dbraw/zinc/36/05/50/886360550.db2.gz BXHBOVFLIKXHRI-RYUDHWBXSA-N 2 1 298.387 -1.681 20 0 CAADMP COCC[N@@H+](C)CCNC(=O)C1(C[NH3+])CC(O)C1 ZINC001357391956 886403579 /nfs/dbraw/zinc/40/35/79/886403579.db2.gz PJPQPUIDZQUSDR-UHFFFAOYSA-N 2 1 259.350 -1.219 20 0 CAADMP C[C@H](CNC(=O)CNCC[NH3+])C[NH+]1CCOCC1 ZINC001357385575 886403539 /nfs/dbraw/zinc/40/35/39/886403539.db2.gz WDPLICZXJKJODR-LLVKDONJSA-N 2 1 258.366 -1.381 20 0 CAADMP [NH3+][C@H](CO)C(=O)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC001357396614 886406195 /nfs/dbraw/zinc/40/61/95/886406195.db2.gz LIRAUPQZVVZUMH-OUAUKWLOSA-N 2 1 257.334 -1.636 20 0 CAADMP COCCOCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH2+]C[C@@H]1O ZINC001357888806 886414166 /nfs/dbraw/zinc/41/41/66/886414166.db2.gz GVGDUXGGXBQUCJ-NEPJUHHUSA-N 2 1 289.376 -1.580 20 0 CAADMP C[C@H]1CN2CC[N@H+]1C[C@H]2C(=O)NCCN1CCC([NH3+])CC1 ZINC001358112356 886421319 /nfs/dbraw/zinc/42/13/19/886421319.db2.gz YQNPABBJTSGWAP-JSGCOSHPSA-N 2 1 295.431 -1.086 20 0 CAADMP CN1CCN(C(=O)C2=NO[C@@H](C[NH3+])C2)CC[N@@H+](C)CC1 ZINC001358444200 886427715 /nfs/dbraw/zinc/42/77/15/886427715.db2.gz JGZRGDVYZVDWCS-LLVKDONJSA-N 2 1 283.376 -1.204 20 0 CAADMP CN1CCN(C(=O)C2(C[NH3+])CC(O)C2)CC[N@@H+](C)CC1 ZINC001358444488 886428649 /nfs/dbraw/zinc/42/86/49/886428649.db2.gz LOKOUNZMCDNFQY-UHFFFAOYSA-N 2 1 284.404 -1.208 20 0 CAADMP Cn1c[nH+]cc1CCC[NH+]1C[C@@H](C(N)=O)[C@H](C(N)=O)C1 ZINC001364449524 887089164 /nfs/dbraw/zinc/08/91/64/887089164.db2.gz BXFCVXULXKJFKI-GHMZBOCLSA-N 2 1 279.344 -1.129 20 0 CAADMP NC(=O)C[NH2+][C@H]1C[C@H](CNC(=O)CC[NH+]2CCOCC2)C1 ZINC001365841709 887249732 /nfs/dbraw/zinc/24/97/32/887249732.db2.gz XSHZDOABZIKYBI-HAQNSBGRSA-N 2 1 298.387 -1.322 20 0 CAADMP CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001366110410 887272978 /nfs/dbraw/zinc/27/29/78/887272978.db2.gz QPADRVMJHCFUTE-SRVKXCTJSA-N 2 1 298.387 -1.310 20 0 CAADMP CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001366110410 887272990 /nfs/dbraw/zinc/27/29/90/887272990.db2.gz QPADRVMJHCFUTE-SRVKXCTJSA-N 2 1 298.387 -1.310 20 0 CAADMP CC[N@@H+]1CCO[C@@H](C(=O)N2CC[C@@H](C[NH2+]CC(N)=O)C2)C1 ZINC001366405854 887298828 /nfs/dbraw/zinc/29/88/28/887298828.db2.gz DKIILYQZVVKYMQ-NWDGAFQWSA-N 2 1 298.387 -1.370 20 0 CAADMP CC[N@H+]1CCO[C@@H](C(=O)N2CC[C@@H](C[NH2+]CC(N)=O)C2)C1 ZINC001366405854 887298844 /nfs/dbraw/zinc/29/88/44/887298844.db2.gz DKIILYQZVVKYMQ-NWDGAFQWSA-N 2 1 298.387 -1.370 20 0 CAADMP C[C@@H](C(=O)NC(N)=O)[N@H+](C)CCNC(=O)[C@@H]1CCC[NH+]1C ZINC001366520866 887302147 /nfs/dbraw/zinc/30/21/47/887302147.db2.gz SOFKOVBYBHGKSQ-UWVGGRQHSA-N 2 1 299.375 -1.288 20 0 CAADMP C[C@@H](C(=O)NC(N)=O)[N@@H+](C)CCNC(=O)[C@@H]1CCC[NH+]1C ZINC001366520866 887302159 /nfs/dbraw/zinc/30/21/59/887302159.db2.gz SOFKOVBYBHGKSQ-UWVGGRQHSA-N 2 1 299.375 -1.288 20 0 CAADMP C[C@@H](C(=O)NC(N)=O)[NH+](C)CCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001366520866 887302173 /nfs/dbraw/zinc/30/21/73/887302173.db2.gz SOFKOVBYBHGKSQ-UWVGGRQHSA-N 2 1 299.375 -1.288 20 0 CAADMP C[C@@H](C(=O)NC(N)=O)[NH+](C)CCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001366520866 887302180 /nfs/dbraw/zinc/30/21/80/887302180.db2.gz SOFKOVBYBHGKSQ-UWVGGRQHSA-N 2 1 299.375 -1.288 20 0 CAADMP CN(CC[NH2+][C@H]1CCNC1=O)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001366760017 887333655 /nfs/dbraw/zinc/33/36/55/887333655.db2.gz IBLNRHRVPDCIJZ-WDEREUQCSA-N 2 1 284.360 -1.747 20 0 CAADMP CN(CC[NH2+][C@H]1CCNC1=O)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001366760017 887333667 /nfs/dbraw/zinc/33/36/67/887333667.db2.gz IBLNRHRVPDCIJZ-WDEREUQCSA-N 2 1 284.360 -1.747 20 0 CAADMP CN(CC[NH2+][C@@H]1CCNC1=O)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001366760006 887336095 /nfs/dbraw/zinc/33/60/95/887336095.db2.gz IBLNRHRVPDCIJZ-GHMZBOCLSA-N 2 1 284.360 -1.747 20 0 CAADMP CN(CC[NH2+][C@@H]1CCNC1=O)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001366760006 887336107 /nfs/dbraw/zinc/33/61/07/887336107.db2.gz IBLNRHRVPDCIJZ-GHMZBOCLSA-N 2 1 284.360 -1.747 20 0 CAADMP CC[C@@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)[NH2+]CC(=O)NC ZINC001367086861 887365571 /nfs/dbraw/zinc/36/55/71/887365571.db2.gz GTGWQZXXMWUFHJ-QWRGUYRKSA-N 2 1 286.376 -1.453 20 0 CAADMP CC[C@@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)[NH2+]CC(=O)NC ZINC001367086861 887365585 /nfs/dbraw/zinc/36/55/85/887365585.db2.gz GTGWQZXXMWUFHJ-QWRGUYRKSA-N 2 1 286.376 -1.453 20 0 CAADMP CC[C@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)[NH2+]CC(=O)NC ZINC001367086748 887368285 /nfs/dbraw/zinc/36/82/85/887368285.db2.gz GTGWQZXXMWUFHJ-MNOVXSKESA-N 2 1 286.376 -1.453 20 0 CAADMP CC[C@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)[NH2+]CC(=O)NC ZINC001367086748 887368295 /nfs/dbraw/zinc/36/82/95/887368295.db2.gz GTGWQZXXMWUFHJ-MNOVXSKESA-N 2 1 286.376 -1.453 20 0 CAADMP CC[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc1nnnn1C)[NH+](C)C ZINC001367592145 887405322 /nfs/dbraw/zinc/40/53/22/887405322.db2.gz FJSJUOJZIOGVAE-VHSXEESVSA-N 2 1 299.379 -1.883 20 0 CAADMP CNC(=O)C[NH2+]C[C@H](O)CNC(=O)C[N@@H+](C)C1CCC1 ZINC001367595475 887406482 /nfs/dbraw/zinc/40/64/82/887406482.db2.gz RVEDEHLHDPMLSO-NSHDSACASA-N 2 1 286.376 -1.717 20 0 CAADMP CCC[N@@H+](C)CC(=O)NC[C@H](O)C[NH2+][C@H]1CCNC1=O ZINC001367624526 887412467 /nfs/dbraw/zinc/41/24/67/887412467.db2.gz RALVKZXKMNRRRU-MNOVXSKESA-N 2 1 286.376 -1.717 20 0 CAADMP Cn1nnnc1C[NH2+]C[C@H](O)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001367623378 887412763 /nfs/dbraw/zinc/41/27/63/887412763.db2.gz KMSLNEHUYKTLRU-UWVGGRQHSA-N 2 1 297.363 -2.272 20 0 CAADMP Cn1nnnc1C[NH2+]C[C@H](O)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001367623378 887412773 /nfs/dbraw/zinc/41/27/73/887412773.db2.gz KMSLNEHUYKTLRU-UWVGGRQHSA-N 2 1 297.363 -2.272 20 0 CAADMP CCC[N@@H+](C)CC(=O)NC[C@H](O)C[NH2+][C@@H]1CCNC1=O ZINC001367624521 887413399 /nfs/dbraw/zinc/41/33/99/887413399.db2.gz RALVKZXKMNRRRU-GHMZBOCLSA-N 2 1 286.376 -1.717 20 0 CAADMP CC(C)[N@@H+](C)CC(=O)NC[C@@H](O)C[NH2+][C@H]1CCNC1=O ZINC001367632066 887414967 /nfs/dbraw/zinc/41/49/67/887414967.db2.gz SLSRORGDKBBIEN-QWRGUYRKSA-N 2 1 286.376 -1.718 20 0 CAADMP CC(C)[N@@H+](C)CC(=O)NC[C@@H](O)C[NH2+][C@@H]1CCNC1=O ZINC001367632067 887416715 /nfs/dbraw/zinc/41/67/15/887416715.db2.gz SLSRORGDKBBIEN-WDEREUQCSA-N 2 1 286.376 -1.718 20 0 CAADMP COC[C@H](O)C[NH2+]C[C@@H](C)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001367664613 887420618 /nfs/dbraw/zinc/42/06/18/887420618.db2.gz DRCQFEWMPKGGKG-UTUOFQBUSA-N 2 1 289.376 -1.581 20 0 CAADMP COC[C@H](O)C[NH2+]C[C@@H](C)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001367664613 887420631 /nfs/dbraw/zinc/42/06/31/887420631.db2.gz DRCQFEWMPKGGKG-UTUOFQBUSA-N 2 1 289.376 -1.581 20 0 CAADMP CC[N@@H+]1CCO[C@H](C(=O)NCC2([NH2+][C@H](C)C(N)=O)CC2)C1 ZINC001368046001 887450679 /nfs/dbraw/zinc/45/06/79/887450679.db2.gz ISYLJLVQIQLCOJ-MNOVXSKESA-N 2 1 298.387 -1.181 20 0 CAADMP CC[N@H+]1CCO[C@H](C(=O)NCC2([NH2+][C@H](C)C(N)=O)CC2)C1 ZINC001368046001 887450686 /nfs/dbraw/zinc/45/06/86/887450686.db2.gz ISYLJLVQIQLCOJ-MNOVXSKESA-N 2 1 298.387 -1.181 20 0 CAADMP C[NH+](C)CCCC(=O)NC[C@]1(O)CC[N@@H+](CCO)C1 ZINC001368266663 887467808 /nfs/dbraw/zinc/46/78/08/887467808.db2.gz VBUUIVUXTFZIJP-CYBMUJFWSA-N 2 1 273.377 -1.127 20 0 CAADMP C[N@H+]1CC[C@@H](C(=O)NC[C@]2(O)CC[NH+](CCCO)C2)C1 ZINC001368291603 887470023 /nfs/dbraw/zinc/47/00/23/887470023.db2.gz WYIMGJNSSIRVRS-TZMCWYRMSA-N 2 1 285.388 -1.127 20 0 CAADMP C[NH+]1CC[C@@H](C(=O)NC[C@]2(O)CC[N@H+](CCCO)C2)C1 ZINC001368291603 887470028 /nfs/dbraw/zinc/47/00/28/887470028.db2.gz WYIMGJNSSIRVRS-TZMCWYRMSA-N 2 1 285.388 -1.127 20 0 CAADMP C[NH+]1CC[C@@H](C(=O)NC[C@]2(O)CC[N@@H+](CCCO)C2)C1 ZINC001368291603 887470034 /nfs/dbraw/zinc/47/00/34/887470034.db2.gz WYIMGJNSSIRVRS-TZMCWYRMSA-N 2 1 285.388 -1.127 20 0 CAADMP C[C@@H]([NH2+]CCN(CCO)C(=O)[C@H]1CCC[N@H+]1C)C(N)=O ZINC001368398811 887486372 /nfs/dbraw/zinc/48/63/72/887486372.db2.gz PWSQPSJKAYVNPN-GHMZBOCLSA-N 2 1 286.376 -1.635 20 0 CAADMP Cn1nncc1C[NH2+][C@@H](CO)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001369325868 887544497 /nfs/dbraw/zinc/54/44/97/887544497.db2.gz ZNALBFLMKSQAKK-ZYHUDNBSSA-N 2 1 296.375 -1.524 20 0 CAADMP Cn1nncc1C[NH2+][C@@H](CO)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001369325868 887544507 /nfs/dbraw/zinc/54/45/07/887544507.db2.gz ZNALBFLMKSQAKK-ZYHUDNBSSA-N 2 1 296.375 -1.524 20 0 CAADMP CC[C@H](C(=O)NC[C@@H](CO)[NH2+]Cc1cnnn1C)[NH+](C)C ZINC001369335895 887546694 /nfs/dbraw/zinc/54/66/94/887546694.db2.gz XWYYEEPDTQSQOM-CMPLNLGQSA-N 2 1 298.391 -1.278 20 0 CAADMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](CO)[NH2+]CCn1cncn1 ZINC001369349723 887550432 /nfs/dbraw/zinc/55/04/32/887550432.db2.gz FNZSMTPKUPRXEO-NWDGAFQWSA-N 2 1 296.375 -1.561 20 0 CAADMP CC(C)[N@@H+](C)CC(=O)NC[C@@H](CO)[NH2+][C@H](C)C(N)=O ZINC001369371443 887561129 /nfs/dbraw/zinc/56/11/29/887561129.db2.gz GUIDXSBZKWYDPZ-ZJUUUORDSA-N 2 1 274.365 -1.733 20 0 CAADMP Cn1cc(C[NH2+][C@H](CO)CNC(=O)[C@@H]2CC[N@@H+](C)C2)cn1 ZINC001369388897 887565002 /nfs/dbraw/zinc/56/50/02/887565002.db2.gz WXLAAHCMPXSATF-OLZOCXBDSA-N 2 1 295.387 -1.062 20 0 CAADMP C[N@H+]1CC[C@@H](C(=O)N2CC[C@H]([NH2+]CC(=O)NC(N)=O)C2)C1 ZINC001370408914 887607886 /nfs/dbraw/zinc/60/78/86/887607886.db2.gz PNROHNFLBDHSQH-ZJUUUORDSA-N 2 1 297.359 -1.677 20 0 CAADMP CNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001370438293 887609271 /nfs/dbraw/zinc/60/92/71/887609271.db2.gz HKAZKGSAYNVHCQ-DCAQKATOSA-N 2 1 284.360 -1.700 20 0 CAADMP CNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001370438293 887609278 /nfs/dbraw/zinc/60/92/78/887609278.db2.gz HKAZKGSAYNVHCQ-DCAQKATOSA-N 2 1 284.360 -1.700 20 0 CAADMP O=C(CC[NH+]1CCOCC1)N[C@H]1C[C@H]([NH2+]CCO)C1 ZINC001370537987 887611316 /nfs/dbraw/zinc/61/13/16/887611316.db2.gz DYOBIBLHHZNKCE-HAQNSBGRSA-N 2 1 271.361 -1.062 20 0 CAADMP C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001370628877 887613686 /nfs/dbraw/zinc/61/36/86/887613686.db2.gz TZIDTJBJGVIYQV-KXUCPTDWSA-N 2 1 297.359 -1.488 20 0 CAADMP CC[N@@H+](C)CCC(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001370703929 887630273 /nfs/dbraw/zinc/63/02/73/887630273.db2.gz NUGLHYKISXAWES-AOOOYVTPSA-N 2 1 299.375 -1.240 20 0 CAADMP C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[NH2+]CC(=O)NC(N)=O ZINC001371186266 887651828 /nfs/dbraw/zinc/65/18/28/887651828.db2.gz JVGSVKRHZMKRCO-IVZWLZJFSA-N 2 1 299.375 -1.384 20 0 CAADMP C[C@@H](C[NH2+]CC(=O)NC(N)=O)N(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001374323463 887785670 /nfs/dbraw/zinc/78/56/70/887785670.db2.gz BREGLWZDMVQJBL-VHSXEESVSA-N 2 1 299.375 -1.431 20 0 CAADMP Cn1cc(C[NH2+]C[C@H](O)CNC(=O)[C@@H]2CCC[N@@H+]2C)nn1 ZINC001374592340 887803428 /nfs/dbraw/zinc/80/34/28/887803428.db2.gz UOUQXSMJEKPQKZ-RYUDHWBXSA-N 2 1 296.375 -1.524 20 0 CAADMP Cn1cc(C[NH2+]C[C@H](O)CNC(=O)[C@@H]2CCC[N@H+]2C)nn1 ZINC001374592340 887803438 /nfs/dbraw/zinc/80/34/38/887803438.db2.gz UOUQXSMJEKPQKZ-RYUDHWBXSA-N 2 1 296.375 -1.524 20 0 CAADMP Cn1cnnc1C[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001374592140 887804517 /nfs/dbraw/zinc/80/45/17/887804517.db2.gz UBYCTEKONIKRIW-QWRGUYRKSA-N 2 1 296.375 -1.524 20 0 CAADMP Cn1cnnc1C[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001374592140 887804526 /nfs/dbraw/zinc/80/45/26/887804526.db2.gz UBYCTEKONIKRIW-QWRGUYRKSA-N 2 1 296.375 -1.524 20 0 CAADMP Cn1nncc1C[NH2+]C[C@H](O)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001374592156 887805383 /nfs/dbraw/zinc/80/53/83/887805383.db2.gz UCFAAJOLQQDLIQ-NWDGAFQWSA-N 2 1 296.375 -1.524 20 0 CAADMP Cn1cnnc1C[NH2+]C[C@H](O)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001374592146 887806046 /nfs/dbraw/zinc/80/60/46/887806046.db2.gz UBYCTEKONIKRIW-WDEREUQCSA-N 2 1 296.375 -1.524 20 0 CAADMP Cn1cnnc1C[NH2+]C[C@H](O)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001374592146 887806057 /nfs/dbraw/zinc/80/60/57/887806057.db2.gz UBYCTEKONIKRIW-WDEREUQCSA-N 2 1 296.375 -1.524 20 0 CAADMP COC[C@@H](O)C[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001374632253 887820251 /nfs/dbraw/zinc/82/02/51/887820251.db2.gz IXLVTTQAFGWNLJ-GRYCIOLGSA-N 2 1 289.376 -1.845 20 0 CAADMP CNC(=O)C[NH2+]C[C@H](O)CNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001374650601 887823003 /nfs/dbraw/zinc/82/30/03/887823003.db2.gz FIDJMJJOWJAQFG-QWRGUYRKSA-N 2 1 286.376 -1.859 20 0 CAADMP C[N@@H+](CC(=O)NC[C@@H](O)C[NH2+]CC(N)=O)CC(C)(C)C ZINC001374649835 887823287 /nfs/dbraw/zinc/82/32/87/887823287.db2.gz DCJCDQPLTWHUOB-JTQLQIEISA-N 2 1 288.392 -1.484 20 0 CAADMP C[N@@H+](CC(=O)NC[C@H](O)C[NH2+]CC(N)=O)CC(C)(C)C ZINC001374649840 887824251 /nfs/dbraw/zinc/82/42/51/887824251.db2.gz DCJCDQPLTWHUOB-SNVBAGLBSA-N 2 1 288.392 -1.484 20 0 CAADMP C[NH+](C)CCC(=O)NC1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001374754918 887841116 /nfs/dbraw/zinc/84/11/16/887841116.db2.gz MJGBQMLRJMYCOM-GFCCVEGCSA-N 2 1 298.387 -1.404 20 0 CAADMP C[NH+](C)CCC(=O)NC1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001374754918 887841123 /nfs/dbraw/zinc/84/11/23/887841123.db2.gz MJGBQMLRJMYCOM-GFCCVEGCSA-N 2 1 298.387 -1.404 20 0 CAADMP C[C@@H](C[NH2+]CC(=O)NC(N)=O)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001374920181 887851198 /nfs/dbraw/zinc/85/11/98/887851198.db2.gz BFTNUHZCYFPVAM-UWVGGRQHSA-N 2 1 299.375 -1.240 20 0 CAADMP CC[N@@H+]1CC[C@@](O)(CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001376018696 887896875 /nfs/dbraw/zinc/89/68/75/887896875.db2.gz ZNDLEDIQFCTXPM-DGCLKSJQSA-N 2 1 271.361 -1.110 20 0 CAADMP CC[N@H+]1CC[C@@](O)(CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001376018696 887896879 /nfs/dbraw/zinc/89/68/79/887896879.db2.gz ZNDLEDIQFCTXPM-DGCLKSJQSA-N 2 1 271.361 -1.110 20 0 CAADMP CC[NH+]1CC[C@@](O)(CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001376018696 887896888 /nfs/dbraw/zinc/89/68/88/887896888.db2.gz ZNDLEDIQFCTXPM-DGCLKSJQSA-N 2 1 271.361 -1.110 20 0 CAADMP CC[NH+]1CC[C@@](O)(CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001376018696 887896890 /nfs/dbraw/zinc/89/68/90/887896890.db2.gz ZNDLEDIQFCTXPM-DGCLKSJQSA-N 2 1 271.361 -1.110 20 0 CAADMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@]1(O)CC[NH+](CCO)C1 ZINC001376005726 887897204 /nfs/dbraw/zinc/89/72/04/887897204.db2.gz NUGWXRLRWCFOPF-DGCLKSJQSA-N 2 1 271.361 -1.374 20 0 CAADMP C[NH+]1CCC[C@@H]1C(=O)NC[C@]1(O)CC[N@H+](CCO)C1 ZINC001376005726 887897206 /nfs/dbraw/zinc/89/72/06/887897206.db2.gz NUGWXRLRWCFOPF-DGCLKSJQSA-N 2 1 271.361 -1.374 20 0 CAADMP C[NH+]1CCC[C@@H]1C(=O)NC[C@]1(O)CC[N@@H+](CCO)C1 ZINC001376005726 887897208 /nfs/dbraw/zinc/89/72/08/887897208.db2.gz NUGWXRLRWCFOPF-DGCLKSJQSA-N 2 1 271.361 -1.374 20 0 CAADMP CC[N@@H+]1CC[C@](O)(CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001376018705 887898453 /nfs/dbraw/zinc/89/84/53/887898453.db2.gz ZNDLEDIQFCTXPM-YPMHNXCESA-N 2 1 271.361 -1.110 20 0 CAADMP CC[N@H+]1CC[C@](O)(CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001376018705 887898462 /nfs/dbraw/zinc/89/84/62/887898462.db2.gz ZNDLEDIQFCTXPM-YPMHNXCESA-N 2 1 271.361 -1.110 20 0 CAADMP CC[NH+]1CC[C@](O)(CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001376018705 887898470 /nfs/dbraw/zinc/89/84/70/887898470.db2.gz ZNDLEDIQFCTXPM-YPMHNXCESA-N 2 1 271.361 -1.110 20 0 CAADMP CC[NH+]1CC[C@](O)(CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001376018705 887898482 /nfs/dbraw/zinc/89/84/82/887898482.db2.gz ZNDLEDIQFCTXPM-YPMHNXCESA-N 2 1 271.361 -1.110 20 0 CAADMP C[N@H+]1CCC[C@H]1C(=O)NC[C@@]1(O)CC[NH+](CCO)C1 ZINC001376005722 887898649 /nfs/dbraw/zinc/89/86/49/887898649.db2.gz NUGWXRLRWCFOPF-AAEUAGOBSA-N 2 1 271.361 -1.374 20 0 CAADMP C[NH+]1CCC[C@H]1C(=O)NC[C@@]1(O)CC[N@H+](CCO)C1 ZINC001376005722 887898659 /nfs/dbraw/zinc/89/86/59/887898659.db2.gz NUGWXRLRWCFOPF-AAEUAGOBSA-N 2 1 271.361 -1.374 20 0 CAADMP C[NH+]1CCC[C@H]1C(=O)NC[C@@]1(O)CC[N@@H+](CCO)C1 ZINC001376005722 887898671 /nfs/dbraw/zinc/89/86/71/887898671.db2.gz NUGWXRLRWCFOPF-AAEUAGOBSA-N 2 1 271.361 -1.374 20 0 CAADMP C[C@@H]1[C@H](C(=O)NC[C@@]2(O)CC[NH+](CC(N)=O)C2)CC[N@@H+]1C ZINC001376029757 887899603 /nfs/dbraw/zinc/89/96/03/887899603.db2.gz CAEYOCIAAJNLRN-GYSYKLTISA-N 2 1 298.387 -1.635 20 0 CAADMP C[C@@H]1[C@H](C(=O)NC[C@@]2(O)CC[NH+](CC(N)=O)C2)CC[N@H+]1C ZINC001376029757 887899613 /nfs/dbraw/zinc/89/96/13/887899613.db2.gz CAEYOCIAAJNLRN-GYSYKLTISA-N 2 1 298.387 -1.635 20 0 CAADMP C[C@@H]1[C@H](C(=O)NC[C@@]2(O)CC[N@H+](CC(N)=O)C2)CC[NH+]1C ZINC001376029757 887899620 /nfs/dbraw/zinc/89/96/20/887899620.db2.gz CAEYOCIAAJNLRN-GYSYKLTISA-N 2 1 298.387 -1.635 20 0 CAADMP C[C@@H]1[C@H](C(=O)NC[C@@]2(O)CC[N@@H+](CC(N)=O)C2)CC[NH+]1C ZINC001376029757 887899630 /nfs/dbraw/zinc/89/96/30/887899630.db2.gz CAEYOCIAAJNLRN-GYSYKLTISA-N 2 1 298.387 -1.635 20 0 CAADMP NC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001376087449 887902086 /nfs/dbraw/zinc/90/20/86/887902086.db2.gz HLHNDFFBPOSMCU-AWEZNQCLSA-N 2 1 296.371 -1.880 20 0 CAADMP NC(=O)C[N@H+]1CC[C@](O)(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001376087449 887902096 /nfs/dbraw/zinc/90/20/96/887902096.db2.gz HLHNDFFBPOSMCU-AWEZNQCLSA-N 2 1 296.371 -1.880 20 0 CAADMP CCC[N@H+](C)CC(=O)NC[C@@]1(O)CC[NH+](CC(N)=O)C1 ZINC001376086775 887902994 /nfs/dbraw/zinc/90/29/94/887902994.db2.gz BTQQYWBHSRNOII-ZDUSSCGKSA-N 2 1 286.376 -1.634 20 0 CAADMP C[C@@H]([NH2+][C@H]1C[C@H](NC(=O)CC[NH+]2CCOCC2)C1)C(N)=O ZINC001376402910 887923745 /nfs/dbraw/zinc/92/37/45/887923745.db2.gz ZHXGBGVKBSNYKP-IJLUTSLNSA-N 2 1 298.387 -1.181 20 0 CAADMP CCNC(=O)C[NH2+][C@H](C)CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001376691674 887949246 /nfs/dbraw/zinc/94/92/46/887949246.db2.gz DAOKCKJXVHYPIS-MNOVXSKESA-N 2 1 286.376 -1.453 20 0 CAADMP CCNC(=O)C[NH2+][C@H](C)CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001376691674 887949254 /nfs/dbraw/zinc/94/92/54/887949254.db2.gz DAOKCKJXVHYPIS-MNOVXSKESA-N 2 1 286.376 -1.453 20 0 CAADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCO[C@H](C[NH2+]CC(N)=O)C1 ZINC001376847169 887962527 /nfs/dbraw/zinc/96/25/27/887962527.db2.gz BPCMWNSYAGVHCV-GHMZBOCLSA-N 2 1 284.360 -1.617 20 0 CAADMP C[C@@H](C(=O)NC(N)=O)[N@H+](C)CCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001377262845 887985799 /nfs/dbraw/zinc/98/57/99/887985799.db2.gz ZNZDCAWLLNIEQX-UWVGGRQHSA-N 2 1 299.375 -1.431 20 0 CAADMP C[C@@H](C(=O)NC(N)=O)[N@@H+](C)CCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001377262845 887985806 /nfs/dbraw/zinc/98/58/06/887985806.db2.gz ZNZDCAWLLNIEQX-UWVGGRQHSA-N 2 1 299.375 -1.431 20 0 CAADMP C[C@@H](C(=O)NC(N)=O)[NH+](C)CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001377262845 887985815 /nfs/dbraw/zinc/98/58/15/887985815.db2.gz ZNZDCAWLLNIEQX-UWVGGRQHSA-N 2 1 299.375 -1.431 20 0 CAADMP C[C@@H](C(=O)NC(N)=O)[NH+](C)CCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001377262845 887985824 /nfs/dbraw/zinc/98/58/24/887985824.db2.gz ZNZDCAWLLNIEQX-UWVGGRQHSA-N 2 1 299.375 -1.431 20 0 CAADMP COC[C@H](O)C[N@@H+](C)CCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001377259921 887988094 /nfs/dbraw/zinc/98/80/94/887988094.db2.gz FQTODKCVTOEKFS-NWDGAFQWSA-N 2 1 273.377 -1.007 20 0 CAADMP COC[C@H](O)C[NH+](C)CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001377259921 887988100 /nfs/dbraw/zinc/98/81/00/887988100.db2.gz FQTODKCVTOEKFS-NWDGAFQWSA-N 2 1 273.377 -1.007 20 0 CAADMP COC[C@H](O)C[NH+](C)CCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001377259921 887988105 /nfs/dbraw/zinc/98/81/05/887988105.db2.gz FQTODKCVTOEKFS-NWDGAFQWSA-N 2 1 273.377 -1.007 20 0 CAADMP C[N@@H+]1CCO[C@@H](C(=O)NC2CC(C[NH2+]CC(N)=O)C2)C1 ZINC001377692014 888008184 /nfs/dbraw/zinc/00/81/84/888008184.db2.gz AXSSGRMPUIVSLV-VQXHTEKXSA-N 2 1 284.360 -1.713 20 0 CAADMP C[N@H+]1CCO[C@@H](C(=O)NC2CC(C[NH2+]CC(N)=O)C2)C1 ZINC001377692014 888008194 /nfs/dbraw/zinc/00/81/94/888008194.db2.gz AXSSGRMPUIVSLV-VQXHTEKXSA-N 2 1 284.360 -1.713 20 0 CAADMP CC[N@@H+]1CCO[C@H](C(=O)NC2CC(C[NH2+]CC(N)=O)C2)C1 ZINC001377733029 888009109 /nfs/dbraw/zinc/00/91/09/888009109.db2.gz HZMMMURBUPBQNX-MCIGGMRASA-N 2 1 298.387 -1.323 20 0 CAADMP CC[N@H+]1CCO[C@H](C(=O)NC2CC(C[NH2+]CC(N)=O)C2)C1 ZINC001377733029 888009118 /nfs/dbraw/zinc/00/91/18/888009118.db2.gz HZMMMURBUPBQNX-MCIGGMRASA-N 2 1 298.387 -1.323 20 0 CAADMP C[N@H+]1CC[C@@H](C(=O)N[C@H]2CCN(CC(=O)NC(N)=O)C2)C1 ZINC001378082919 888034997 /nfs/dbraw/zinc/03/49/97/888034997.db2.gz LFUKJJUAYLRFMX-ZJUUUORDSA-N 2 1 297.359 -1.677 20 0 CAADMP Cc1[nH+]ccn1CC(=O)NC[C@@H](O)C[NH2+][C@H]1CCNC1=O ZINC001379283117 888117914 /nfs/dbraw/zinc/11/79/14/888117914.db2.gz GMKBOIKEFJYGPE-QWRGUYRKSA-N 2 1 295.343 -1.853 20 0 CAADMP C[N@H+]1CC[C@@H](C(=O)NC[C@@H](O)C[NH2+]CC(=O)N2CCC2)C1 ZINC001379288995 888119016 /nfs/dbraw/zinc/11/90/16/888119016.db2.gz NOKPRJIZFBJPAX-NEPJUHHUSA-N 2 1 298.387 -1.763 20 0 CAADMP CC[N@@H+]1CCO[C@H](C(=O)N(C)C[C@H](C)[NH2+]CC(N)=O)C1 ZINC001379326282 888121776 /nfs/dbraw/zinc/12/17/76/888121776.db2.gz UFIFWDIZFLYBJT-QWRGUYRKSA-N 2 1 286.376 -1.371 20 0 CAADMP CC[N@H+]1CCO[C@H](C(=O)N(C)C[C@H](C)[NH2+]CC(N)=O)C1 ZINC001379326282 888121782 /nfs/dbraw/zinc/12/17/82/888121782.db2.gz UFIFWDIZFLYBJT-QWRGUYRKSA-N 2 1 286.376 -1.371 20 0 CAADMP CC[N@@H+]1CCO[C@H](C(=O)N(C)C[C@@H](C)[NH2+]CC(N)=O)C1 ZINC001379326281 888122506 /nfs/dbraw/zinc/12/25/06/888122506.db2.gz UFIFWDIZFLYBJT-MNOVXSKESA-N 2 1 286.376 -1.371 20 0 CAADMP CC[N@H+]1CCO[C@H](C(=O)N(C)C[C@@H](C)[NH2+]CC(N)=O)C1 ZINC001379326281 888122511 /nfs/dbraw/zinc/12/25/11/888122511.db2.gz UFIFWDIZFLYBJT-MNOVXSKESA-N 2 1 286.376 -1.371 20 0 CAADMP Cn1nccc1C[NH2+]C[C@H](O)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001379293603 888122624 /nfs/dbraw/zinc/12/26/24/888122624.db2.gz XEJSCHPHKBVTSO-AAEUAGOBSA-N 2 1 295.387 -1.062 20 0 CAADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H](CO)[NH2+]CC(N)=O)CC[N@H+]1C ZINC001379398619 888137660 /nfs/dbraw/zinc/13/76/60/888137660.db2.gz QNDBOYJHONASIH-GARJFASQSA-N 2 1 286.376 -1.731 20 0 CAADMP C[C@H](C[NH2+]CC(=O)NC(N)=O)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001379416636 888140744 /nfs/dbraw/zinc/14/07/44/888140744.db2.gz LNHMGCZUZQUMIT-VHSXEESVSA-N 2 1 299.375 -1.383 20 0 CAADMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@H](CO)[NH2+]CCO ZINC001379413657 888140913 /nfs/dbraw/zinc/14/09/13/888140913.db2.gz QDTSDCWWNHZJSF-NEPJUHHUSA-N 2 1 273.377 -1.080 20 0 CAADMP CC[C@@H]([NH2+][C@H](CO)CNC(=O)Cn1c[nH+]cc1C)C(N)=O ZINC001379440504 888143749 /nfs/dbraw/zinc/14/37/49/888143749.db2.gz JHLAEEZLXVQHSO-WDEREUQCSA-N 2 1 297.359 -1.478 20 0 CAADMP COC[C@H](O)C[NH2+]C[C@H](C)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001379490203 888152485 /nfs/dbraw/zinc/15/24/85/888152485.db2.gz DRCQFEWMPKGGKG-QJPTWQEYSA-N 2 1 289.376 -1.581 20 0 CAADMP COC[C@H](O)C[NH2+]C[C@H](C)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001379490203 888152490 /nfs/dbraw/zinc/15/24/90/888152490.db2.gz DRCQFEWMPKGGKG-QJPTWQEYSA-N 2 1 289.376 -1.581 20 0 CAADMP COC[C@@H](O)C[NH2+]C[C@H](C)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001379490209 888153203 /nfs/dbraw/zinc/15/32/03/888153203.db2.gz DRCQFEWMPKGGKG-SRVKXCTJSA-N 2 1 289.376 -1.581 20 0 CAADMP COC[C@@H](O)C[NH2+]C[C@H](C)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001379490209 888153215 /nfs/dbraw/zinc/15/32/15/888153215.db2.gz DRCQFEWMPKGGKG-SRVKXCTJSA-N 2 1 289.376 -1.581 20 0 CAADMP C[N@H+]1CC[C@@H](C(=O)NC[C@@H](CO)[NH2+]CC(=O)NC2CC2)C1 ZINC001379524884 888159281 /nfs/dbraw/zinc/15/92/81/888159281.db2.gz GKKRJYYUJPUGFQ-PWSUYJOCSA-N 2 1 298.387 -1.717 20 0 CAADMP C[C@@H](C[NH2+]CC(N)=O)NC(=O)CC[NH+]1CCOCC1 ZINC001379559998 888164081 /nfs/dbraw/zinc/16/40/81/888164081.db2.gz KNTDWOKSWQUYPF-JTQLQIEISA-N 2 1 272.349 -1.712 20 0 CAADMP C[C@@H](C[N@H+](C)CC(=O)NC(N)=O)NC(=O)[C@H]1CC[NH+](C)C1 ZINC001379776892 888173063 /nfs/dbraw/zinc/17/30/63/888173063.db2.gz BWAINPCFUQRCJW-UWVGGRQHSA-N 2 1 299.375 -1.431 20 0 CAADMP C[C@@H](C[N@@H+](C)CC(=O)NC(N)=O)NC(=O)[C@H]1CC[NH+](C)C1 ZINC001379776892 888173072 /nfs/dbraw/zinc/17/30/72/888173072.db2.gz BWAINPCFUQRCJW-UWVGGRQHSA-N 2 1 299.375 -1.431 20 0 CAADMP C[C@@H](C[NH+](C)CC(=O)NC(N)=O)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001379776892 888173081 /nfs/dbraw/zinc/17/30/81/888173081.db2.gz BWAINPCFUQRCJW-UWVGGRQHSA-N 2 1 299.375 -1.431 20 0 CAADMP C[C@@H](C[NH+](C)CC(=O)NC(N)=O)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001379776892 888173089 /nfs/dbraw/zinc/17/30/89/888173089.db2.gz BWAINPCFUQRCJW-UWVGGRQHSA-N 2 1 299.375 -1.431 20 0 CAADMP Cc1[nH+]ccn1CC(=O)N(C)C[C@@H](O)C[NH2+]C[C@@H](C)O ZINC001379856791 888175850 /nfs/dbraw/zinc/17/58/50/888175850.db2.gz GCFYTBJJSLCEJV-PWSUYJOCSA-N 2 1 284.360 -1.019 20 0 CAADMP Cc1[nH+]ccn1CC(=O)N(C)C[C@@H](O)C[NH2+]CC(N)=O ZINC001379855701 888175954 /nfs/dbraw/zinc/17/59/54/888175954.db2.gz DHWLPAWUQJHHRI-JTQLQIEISA-N 2 1 283.332 -1.914 20 0 CAADMP CN(C[C@H](O)C[NH2+]Cc1nnnn1C)C(=O)CC[NH+](C)C ZINC001379828855 888176142 /nfs/dbraw/zinc/17/61/42/888176142.db2.gz CCOXHBUOYMUQFO-SNVBAGLBSA-N 2 1 299.379 -1.929 20 0 CAADMP CNC(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001379819592 888176563 /nfs/dbraw/zinc/17/65/63/888176563.db2.gz BUHNXBMYGACHBR-GHMZBOCLSA-N 2 1 286.376 -1.765 20 0 CAADMP CNC(=O)C[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001379819593 888176771 /nfs/dbraw/zinc/17/67/71/888176771.db2.gz BUHNXBMYGACHBR-WDEREUQCSA-N 2 1 286.376 -1.765 20 0 CAADMP Cc1[nH+]ccn1CC(=O)N(C)C[C@H](O)C[N@H+](C)CCO ZINC001379977417 888187806 /nfs/dbraw/zinc/18/78/06/888187806.db2.gz YNSGTKGIJATZFA-GFCCVEGCSA-N 2 1 284.360 -1.065 20 0 CAADMP Cc1[nH+]ccn1CC(=O)N(C)C[C@H](O)C[N@@H+](C)CCO ZINC001379977417 888187811 /nfs/dbraw/zinc/18/78/11/888187811.db2.gz YNSGTKGIJATZFA-GFCCVEGCSA-N 2 1 284.360 -1.065 20 0 CAADMP CCNC(=O)C[NH2+]C1(CNC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001380064028 888190762 /nfs/dbraw/zinc/19/07/62/888190762.db2.gz LZTYDWZIJPZRMQ-NSHDSACASA-N 2 1 298.387 -1.309 20 0 CAADMP CCNC(=O)C[NH2+]C1(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001380064028 888190772 /nfs/dbraw/zinc/19/07/72/888190772.db2.gz LZTYDWZIJPZRMQ-NSHDSACASA-N 2 1 298.387 -1.309 20 0 CAADMP C[N@@H+]1CCO[C@H](C(=O)NCC2([NH2+][C@@H]3CCNC3=O)CC2)C1 ZINC001380065230 888190909 /nfs/dbraw/zinc/19/09/09/888190909.db2.gz TUPZLEFHHTVNQS-MNOVXSKESA-N 2 1 296.371 -1.556 20 0 CAADMP C[N@H+]1CCO[C@H](C(=O)NCC2([NH2+][C@@H]3CCNC3=O)CC2)C1 ZINC001380065230 888190918 /nfs/dbraw/zinc/19/09/18/888190918.db2.gz TUPZLEFHHTVNQS-MNOVXSKESA-N 2 1 296.371 -1.556 20 0 CAADMP C[NH+](C)CCC(=O)N[C@]1(C)CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001380353813 888201298 /nfs/dbraw/zinc/20/12/98/888201298.db2.gz IONIYYOZRCHHSZ-CYBMUJFWSA-N 2 1 299.375 -1.286 20 0 CAADMP C[NH+](C)CCC(=O)N[C@]1(C)CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001380353813 888201308 /nfs/dbraw/zinc/20/13/08/888201308.db2.gz IONIYYOZRCHHSZ-CYBMUJFWSA-N 2 1 299.375 -1.286 20 0 CAADMP C[C@H](O)C[N@H+]1CC[C@](O)(CNC(=O)CC[NH+](C)C)C1 ZINC001380553004 888208713 /nfs/dbraw/zinc/20/87/13/888208713.db2.gz MURUQAWVPPBRHI-AAEUAGOBSA-N 2 1 273.377 -1.128 20 0 CAADMP C[N@H+](CC(=O)NC[C@@]1(O)CC[NH+](CC(N)=O)C1)C1CCC1 ZINC001380534102 888210593 /nfs/dbraw/zinc/21/05/93/888210593.db2.gz KXAZTZIJPOMEDY-AWEZNQCLSA-N 2 1 298.387 -1.491 20 0 CAADMP C[N@@H+](CC(=O)NC[C@@]1(O)CC[NH+](CC(N)=O)C1)C1CCC1 ZINC001380534102 888210609 /nfs/dbraw/zinc/21/06/09/888210609.db2.gz KXAZTZIJPOMEDY-AWEZNQCLSA-N 2 1 298.387 -1.491 20 0 CAADMP C[NH+](CC(=O)NC[C@@]1(O)CC[N@H+](CC(N)=O)C1)C1CCC1 ZINC001380534102 888210626 /nfs/dbraw/zinc/21/06/26/888210626.db2.gz KXAZTZIJPOMEDY-AWEZNQCLSA-N 2 1 298.387 -1.491 20 0 CAADMP C[NH+](CC(=O)NC[C@@]1(O)CC[N@@H+](CC(N)=O)C1)C1CCC1 ZINC001380534102 888210641 /nfs/dbraw/zinc/21/06/41/888210641.db2.gz KXAZTZIJPOMEDY-AWEZNQCLSA-N 2 1 298.387 -1.491 20 0 CAADMP C[C@@H]1CC[N@@H+](CC(=O)N2CCO[C@@H](C[NH2+]CC(N)=O)C2)C1 ZINC001380909268 888236879 /nfs/dbraw/zinc/23/68/79/888236879.db2.gz AZCNLTQKNAZJJA-NEPJUHHUSA-N 2 1 298.387 -1.370 20 0 CAADMP C[C@H]1CC[N@@H+](CC(=O)N2CCO[C@@H](C[NH2+]CC(N)=O)C2)C1 ZINC001380909275 888237711 /nfs/dbraw/zinc/23/77/11/888237711.db2.gz AZCNLTQKNAZJJA-RYUDHWBXSA-N 2 1 298.387 -1.370 20 0 CAADMP C[C@@H](CCNC(=O)[C@H]1CCC[N@H+]1C)[NH2+]CC(=O)NC(N)=O ZINC001381182416 888249012 /nfs/dbraw/zinc/24/90/12/888249012.db2.gz UGKKWNDWMQYDTR-VHSXEESVSA-N 2 1 299.375 -1.240 20 0 CAADMP O=C(CC[NH+]1CCOCC1)NC[C@@H]1[C@H]2C[N@H+](CCO)C[C@H]21 ZINC001381907188 888271132 /nfs/dbraw/zinc/27/11/32/888271132.db2.gz COVZWBOITPULKM-ZSOGYDGISA-N 2 1 297.399 -1.005 20 0 CAADMP O=C(CC[NH+]1CCOCC1)NC[C@@H]1[C@H]2C[N@@H+](CCO)C[C@H]21 ZINC001381907188 888271149 /nfs/dbraw/zinc/27/11/49/888271149.db2.gz COVZWBOITPULKM-ZSOGYDGISA-N 2 1 297.399 -1.005 20 0 CAADMP CNC(=O)C[NH2+][C@H](C)CN(C)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001382059793 888277421 /nfs/dbraw/zinc/27/74/21/888277421.db2.gz NJGWRXYBGBNUQH-MNOVXSKESA-N 2 1 286.376 -1.501 20 0 CAADMP CNC(=O)C[NH2+][C@H](C)CN(C)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001382059793 888277437 /nfs/dbraw/zinc/27/74/37/888277437.db2.gz NJGWRXYBGBNUQH-MNOVXSKESA-N 2 1 286.376 -1.501 20 0 CAADMP CN(C)C(=O)C[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001382184206 888287946 /nfs/dbraw/zinc/28/79/46/888287946.db2.gz NJGHVLHDYPIHFT-MNOVXSKESA-N 2 1 286.376 -1.765 20 0 CAADMP CN(C)C(=O)C[NH2+][C@@H](CO)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001382184205 888289702 /nfs/dbraw/zinc/28/97/02/888289702.db2.gz NJGHVLHDYPIHFT-GHMZBOCLSA-N 2 1 286.376 -1.765 20 0 CAADMP C[C@@H]1CC[N@H+](CC(=O)NC[C@H](CO)[NH2+]CC(N)=O)C1 ZINC001382243290 888314351 /nfs/dbraw/zinc/31/43/51/888314351.db2.gz FSAHGMWZSFDLKV-NXEZZACHSA-N 2 1 272.349 -2.120 20 0 CAADMP C[C@@H]1CC[N@@H+](CC(=O)NC[C@H](CO)[NH2+]CC(N)=O)C1 ZINC001382243290 888314366 /nfs/dbraw/zinc/31/43/66/888314366.db2.gz FSAHGMWZSFDLKV-NXEZZACHSA-N 2 1 272.349 -2.120 20 0 CAADMP C[N@H+]1CC[C@@H](C(=O)NC[C@@H](CO)[NH2+]CCn2cncn2)C1 ZINC001382274197 888324811 /nfs/dbraw/zinc/32/48/11/888324811.db2.gz NZCDIMVKETWADV-NEPJUHHUSA-N 2 1 296.375 -1.704 20 0 CAADMP C[N@H+]1CC[C@H](C(=O)NC[C@H](CO)[NH2+]CCn2cncn2)C1 ZINC001382274200 888325702 /nfs/dbraw/zinc/32/57/02/888325702.db2.gz NZCDIMVKETWADV-NWDGAFQWSA-N 2 1 296.375 -1.704 20 0 CAADMP CNC(=O)[C@@H](C)[NH2+][C@@H](CO)CNC(=O)Cn1cc[nH+]c1C ZINC001382276768 888326318 /nfs/dbraw/zinc/32/63/18/888326318.db2.gz XRCMPFDWRLEVPZ-MWLCHTKSSA-N 2 1 297.359 -1.607 20 0 CAADMP CN(C[C@H](O)C[NH2+]CC(N)=O)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001382378468 888344325 /nfs/dbraw/zinc/34/43/25/888344325.db2.gz BTXFVDFGIKEBQV-ZJUUUORDSA-N 2 1 288.348 -2.789 20 0 CAADMP CN(C[C@H](O)C[NH2+]CC(N)=O)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001382378468 888344335 /nfs/dbraw/zinc/34/43/35/888344335.db2.gz BTXFVDFGIKEBQV-ZJUUUORDSA-N 2 1 288.348 -2.789 20 0 CAADMP CN(C[C@H](O)C[N@H+](C)CC(N)=O)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001382479716 888366174 /nfs/dbraw/zinc/36/61/74/888366174.db2.gz GXRWAWWCVQPBBR-GHMZBOCLSA-N 2 1 286.376 -1.826 20 0 CAADMP CN(C[C@H](O)C[N@@H+](C)CC(N)=O)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001382479716 888366182 /nfs/dbraw/zinc/36/61/82/888366182.db2.gz GXRWAWWCVQPBBR-GHMZBOCLSA-N 2 1 286.376 -1.826 20 0 CAADMP CN(C[C@H](O)C[NH+](C)CC(N)=O)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001382479716 888366202 /nfs/dbraw/zinc/36/62/02/888366202.db2.gz GXRWAWWCVQPBBR-GHMZBOCLSA-N 2 1 286.376 -1.826 20 0 CAADMP CN(C[C@H](O)C[NH+](C)CC(N)=O)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001382479716 888366209 /nfs/dbraw/zinc/36/62/09/888366209.db2.gz GXRWAWWCVQPBBR-GHMZBOCLSA-N 2 1 286.376 -1.826 20 0 CAADMP C[C@H](C(=O)NC(N)=O)[N@@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001389489197 888549706 /nfs/dbraw/zinc/54/97/06/888549706.db2.gz QJIWWCMFQLZXQK-NXEZZACHSA-N 2 1 299.375 -1.288 20 0 CAADMP C[C@H](C(=O)NC(N)=O)[N@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001389489197 888549718 /nfs/dbraw/zinc/54/97/18/888549718.db2.gz QJIWWCMFQLZXQK-NXEZZACHSA-N 2 1 299.375 -1.288 20 0 CAADMP COC[C@@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001390239867 888574464 /nfs/dbraw/zinc/57/44/64/888574464.db2.gz HYNLTZIAFGNEFB-BJJPWKGXSA-N 2 1 297.399 -1.008 20 0 CAADMP COC[C@@H](O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001390239867 888574469 /nfs/dbraw/zinc/57/44/69/888574469.db2.gz HYNLTZIAFGNEFB-BJJPWKGXSA-N 2 1 297.399 -1.008 20 0 CAADMP COC[C@@H](O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001390239867 888574479 /nfs/dbraw/zinc/57/44/79/888574479.db2.gz HYNLTZIAFGNEFB-BJJPWKGXSA-N 2 1 297.399 -1.008 20 0 CAADMP CNC(=O)C[NH2+][C@@H](C)CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001390331554 888576108 /nfs/dbraw/zinc/57/61/08/888576108.db2.gz UCCHQBAKVGWIEP-VHSXEESVSA-N 2 1 272.349 -1.843 20 0 CAADMP CNC(=O)C[NH2+][C@@H](C)CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001390331554 888576117 /nfs/dbraw/zinc/57/61/17/888576117.db2.gz UCCHQBAKVGWIEP-VHSXEESVSA-N 2 1 272.349 -1.843 20 0 CAADMP C[C@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)[NH2+]CC(=O)NC1CC1 ZINC001390332101 888577817 /nfs/dbraw/zinc/57/78/17/888577817.db2.gz VNRGTOQXXKMDLC-PWSUYJOCSA-N 2 1 298.387 -1.310 20 0 CAADMP C[C@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)[NH2+]CC(=O)NC1CC1 ZINC001390332101 888577824 /nfs/dbraw/zinc/57/78/24/888577824.db2.gz VNRGTOQXXKMDLC-PWSUYJOCSA-N 2 1 298.387 -1.310 20 0 CAADMP C[C@@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)[NH2+]CC(=O)NC(N)=O ZINC001390501185 888584893 /nfs/dbraw/zinc/58/48/93/888584893.db2.gz ALGNNFIYIJCEFX-UWVGGRQHSA-N 2 1 299.375 -1.383 20 0 CAADMP C[C@@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)[NH2+]CC(=O)NC(N)=O ZINC001390501187 888585527 /nfs/dbraw/zinc/58/55/27/888585527.db2.gz ALGNNFIYIJCEFX-VHSXEESVSA-N 2 1 299.375 -1.383 20 0 CAADMP C[C@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)[NH2+]CC(=O)NC(N)=O ZINC001390501190 888586707 /nfs/dbraw/zinc/58/67/07/888586707.db2.gz ALGNNFIYIJCEFX-ZJUUUORDSA-N 2 1 299.375 -1.383 20 0 CAADMP CC[N@@H+]1CCO[C@@H](C(=O)N2CC[C@H]([NH2+]CC(=O)NC)C2)C1 ZINC001390577816 888589480 /nfs/dbraw/zinc/58/94/80/888589480.db2.gz VFOUCIXTGYEOCP-NWDGAFQWSA-N 2 1 298.387 -1.356 20 0 CAADMP CC[N@H+]1CCO[C@@H](C(=O)N2CC[C@H]([NH2+]CC(=O)NC)C2)C1 ZINC001390577816 888589490 /nfs/dbraw/zinc/58/94/90/888589490.db2.gz VFOUCIXTGYEOCP-NWDGAFQWSA-N 2 1 298.387 -1.356 20 0 CAADMP C[C@@H](CCNC(=O)[C@@H]1C[N@H+](C)CCO1)[NH2+]CC(N)=O ZINC001390662304 888591792 /nfs/dbraw/zinc/59/17/92/888591792.db2.gz YILVWJLWQMAMJD-UWVGGRQHSA-N 2 1 272.349 -1.713 20 0 CAADMP C[C@@H](CCNC(=O)[C@@H]1C[N@@H+](C)CCO1)[NH2+]CC(N)=O ZINC001390662304 888591800 /nfs/dbraw/zinc/59/18/00/888591800.db2.gz YILVWJLWQMAMJD-UWVGGRQHSA-N 2 1 272.349 -1.713 20 0 CAADMP C[C@H](CCNC(=O)[C@@H]1C[N@H+](C)CCO1)[NH2+]CC(N)=O ZINC001390662318 888592033 /nfs/dbraw/zinc/59/20/33/888592033.db2.gz YILVWJLWQMAMJD-ZJUUUORDSA-N 2 1 272.349 -1.713 20 0 CAADMP C[C@H](CCNC(=O)[C@@H]1C[N@@H+](C)CCO1)[NH2+]CC(N)=O ZINC001390662318 888592036 /nfs/dbraw/zinc/59/20/36/888592036.db2.gz YILVWJLWQMAMJD-ZJUUUORDSA-N 2 1 272.349 -1.713 20 0 CAADMP CNC(=O)NC(=O)C[N@H+](C)CCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001390860081 888607641 /nfs/dbraw/zinc/60/76/41/888607641.db2.gz KCRDEQDVHATMDN-SNVBAGLBSA-N 2 1 299.375 -1.558 20 0 CAADMP CNC(=O)NC(=O)C[N@@H+](C)CCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001390860081 888607652 /nfs/dbraw/zinc/60/76/52/888607652.db2.gz KCRDEQDVHATMDN-SNVBAGLBSA-N 2 1 299.375 -1.558 20 0 CAADMP CNC(=O)NC(=O)C[NH+](C)CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001390860081 888607664 /nfs/dbraw/zinc/60/76/64/888607664.db2.gz KCRDEQDVHATMDN-SNVBAGLBSA-N 2 1 299.375 -1.558 20 0 CAADMP CNC(=O)NC(=O)C[NH+](C)CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001390860081 888607677 /nfs/dbraw/zinc/60/76/77/888607677.db2.gz KCRDEQDVHATMDN-SNVBAGLBSA-N 2 1 299.375 -1.558 20 0 CAADMP CC[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)[NH2+]CC(=O)NC(N)=O ZINC001391746979 888643065 /nfs/dbraw/zinc/64/30/65/888643065.db2.gz DHAHAEXXZZVOOQ-VHSXEESVSA-N 2 1 299.375 -1.383 20 0 CAADMP CC[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)[NH2+]CC(=O)NC(N)=O ZINC001391746977 888644401 /nfs/dbraw/zinc/64/44/01/888644401.db2.gz DHAHAEXXZZVOOQ-NXEZZACHSA-N 2 1 299.375 -1.383 20 0 CAADMP C[C@H](C[NH2+]CC(=O)NC(N)=O)N(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001392092199 888665932 /nfs/dbraw/zinc/66/59/32/888665932.db2.gz QGKIWLAWQNJFDZ-NXEZZACHSA-N 2 1 299.375 -1.288 20 0 CAADMP C[N@@H+](CC(=O)NC[C@@H](O)C[NH2+]CC(N)=O)C1CCC1 ZINC001392371962 888687416 /nfs/dbraw/zinc/68/74/16/888687416.db2.gz GHQRXLLWVDQYSG-JTQLQIEISA-N 2 1 272.349 -1.977 20 0 CAADMP Cn1cnnc1C[NH2+]C[C@@H](O)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001392415995 888701794 /nfs/dbraw/zinc/70/17/94/888701794.db2.gz ALCMUBKRAWSDLU-WDEREUQCSA-N 2 1 296.375 -1.667 20 0 CAADMP Cn1cnnc1C[NH2+]C[C@@H](O)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001392415995 888701804 /nfs/dbraw/zinc/70/18/04/888701804.db2.gz ALCMUBKRAWSDLU-WDEREUQCSA-N 2 1 296.375 -1.667 20 0 CAADMP Cn1cc(C[NH2+]C[C@H](O)CNC(=O)[C@H]2CC[N@H+](C)C2)nn1 ZINC001392424964 888705408 /nfs/dbraw/zinc/70/54/08/888705408.db2.gz LNRUGMFDEQGABD-JQWIXIFHSA-N 2 1 296.375 -1.667 20 0 CAADMP Cn1cc(C[NH2+]C[C@H](O)CNC(=O)[C@H]2CC[N@@H+](C)C2)nn1 ZINC001392424964 888705419 /nfs/dbraw/zinc/70/54/19/888705419.db2.gz LNRUGMFDEQGABD-JQWIXIFHSA-N 2 1 296.375 -1.667 20 0 CAADMP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@H](O)C[NH2+]CC(N)=O ZINC001392434370 888707424 /nfs/dbraw/zinc/70/74/24/888707424.db2.gz XGFVXBBNSFQHSJ-MNOVXSKESA-N 2 1 286.376 -1.587 20 0 CAADMP CNC(=O)NC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@H]1CCC[N@H+]1C ZINC001392501841 888715393 /nfs/dbraw/zinc/71/53/93/888715393.db2.gz KIZLTGGKHPZHSX-NXEZZACHSA-N 2 1 299.375 -1.370 20 0 CAADMP C[C@H](C[N@H+](C)CC(=O)NC(N)=O)NC(=O)[C@@H]1CCC[NH+]1C ZINC001392644477 888727111 /nfs/dbraw/zinc/72/71/11/888727111.db2.gz VBVDXHUBPFQPLM-ZJUUUORDSA-N 2 1 299.375 -1.288 20 0 CAADMP C[C@H](C[N@@H+](C)CC(=O)NC(N)=O)NC(=O)[C@@H]1CCC[NH+]1C ZINC001392644477 888727120 /nfs/dbraw/zinc/72/71/20/888727120.db2.gz VBVDXHUBPFQPLM-ZJUUUORDSA-N 2 1 299.375 -1.288 20 0 CAADMP C[C@H](C[NH+](C)CC(=O)NC(N)=O)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001392644477 888727128 /nfs/dbraw/zinc/72/71/28/888727128.db2.gz VBVDXHUBPFQPLM-ZJUUUORDSA-N 2 1 299.375 -1.288 20 0 CAADMP C[C@H](C[NH+](C)CC(=O)NC(N)=O)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001392644477 888727139 /nfs/dbraw/zinc/72/71/39/888727139.db2.gz VBVDXHUBPFQPLM-ZJUUUORDSA-N 2 1 299.375 -1.288 20 0 CAADMP NC(=O)C[NH2+]C[C@@H](NC(=O)CC[NH+]1CCOCC1)C1CC1 ZINC001392800781 888739830 /nfs/dbraw/zinc/73/98/30/888739830.db2.gz PPNPPZKWMICYFC-GFCCVEGCSA-N 2 1 298.387 -1.322 20 0 CAADMP NC(=O)C[NH2+]C[C@H](NC(=O)CC[NH+]1CCOCC1)C1CC1 ZINC001392800784 888740622 /nfs/dbraw/zinc/74/06/22/888740622.db2.gz PPNPPZKWMICYFC-LBPRGKRZSA-N 2 1 298.387 -1.322 20 0 CAADMP C[N@@H+]1CC[C@@H](CC(=O)NC[C@]2(O)CC[NH+](CC(N)=O)C2)C1 ZINC001393289272 888771016 /nfs/dbraw/zinc/77/10/16/888771016.db2.gz ZYQPKZYQHDQRNX-SMDDNHRTSA-N 2 1 298.387 -1.634 20 0 CAADMP C[N@H+]1CC[C@@H](CC(=O)NC[C@]2(O)CC[NH+](CC(N)=O)C2)C1 ZINC001393289272 888771027 /nfs/dbraw/zinc/77/10/27/888771027.db2.gz ZYQPKZYQHDQRNX-SMDDNHRTSA-N 2 1 298.387 -1.634 20 0 CAADMP C[NH+]1CC[C@@H](CC(=O)NC[C@]2(O)CC[N@H+](CC(N)=O)C2)C1 ZINC001393289272 888771040 /nfs/dbraw/zinc/77/10/40/888771040.db2.gz ZYQPKZYQHDQRNX-SMDDNHRTSA-N 2 1 298.387 -1.634 20 0 CAADMP C[NH+]1CC[C@@H](CC(=O)NC[C@]2(O)CC[N@@H+](CC(N)=O)C2)C1 ZINC001393289272 888771048 /nfs/dbraw/zinc/77/10/48/888771048.db2.gz ZYQPKZYQHDQRNX-SMDDNHRTSA-N 2 1 298.387 -1.634 20 0 CAADMP C[N@@H+]1CC[C@H](CC(=O)NC[C@@]2(O)CC[NH+](CC(N)=O)C2)C1 ZINC001393289271 888772096 /nfs/dbraw/zinc/77/20/96/888772096.db2.gz ZYQPKZYQHDQRNX-RISCZKNCSA-N 2 1 298.387 -1.634 20 0 CAADMP C[N@H+]1CC[C@H](CC(=O)NC[C@@]2(O)CC[NH+](CC(N)=O)C2)C1 ZINC001393289271 888772107 /nfs/dbraw/zinc/77/21/07/888772107.db2.gz ZYQPKZYQHDQRNX-RISCZKNCSA-N 2 1 298.387 -1.634 20 0 CAADMP C[NH+]1CC[C@H](CC(=O)NC[C@@]2(O)CC[N@H+](CC(N)=O)C2)C1 ZINC001393289271 888772122 /nfs/dbraw/zinc/77/21/22/888772122.db2.gz ZYQPKZYQHDQRNX-RISCZKNCSA-N 2 1 298.387 -1.634 20 0 CAADMP C[NH+]1CC[C@H](CC(=O)NC[C@@]2(O)CC[N@@H+](CC(N)=O)C2)C1 ZINC001393289271 888772137 /nfs/dbraw/zinc/77/21/37/888772137.db2.gz ZYQPKZYQHDQRNX-RISCZKNCSA-N 2 1 298.387 -1.634 20 0 CAADMP C[N@@H+]1CC[C@@H](CC(=O)NC[C@@]2(O)CC[NH+](CC(N)=O)C2)C1 ZINC001393289269 888773003 /nfs/dbraw/zinc/77/30/03/888773003.db2.gz ZYQPKZYQHDQRNX-FZMZJTMJSA-N 2 1 298.387 -1.634 20 0 CAADMP C[N@H+]1CC[C@@H](CC(=O)NC[C@@]2(O)CC[NH+](CC(N)=O)C2)C1 ZINC001393289269 888773014 /nfs/dbraw/zinc/77/30/14/888773014.db2.gz ZYQPKZYQHDQRNX-FZMZJTMJSA-N 2 1 298.387 -1.634 20 0 CAADMP C[NH+]1CC[C@@H](CC(=O)NC[C@@]2(O)CC[N@H+](CC(N)=O)C2)C1 ZINC001393289269 888773027 /nfs/dbraw/zinc/77/30/27/888773027.db2.gz ZYQPKZYQHDQRNX-FZMZJTMJSA-N 2 1 298.387 -1.634 20 0 CAADMP C[NH+]1CC[C@@H](CC(=O)NC[C@@]2(O)CC[N@@H+](CC(N)=O)C2)C1 ZINC001393289269 888773039 /nfs/dbraw/zinc/77/30/39/888773039.db2.gz ZYQPKZYQHDQRNX-FZMZJTMJSA-N 2 1 298.387 -1.634 20 0 CAADMP C[C@@H]([NH2+]CCN(CCO)C(=O)[C@@H]1CC[N@@H+](C)C1)C(N)=O ZINC001393484817 888791070 /nfs/dbraw/zinc/79/10/70/888791070.db2.gz WMDYAIFIQDCIRW-GHMZBOCLSA-N 2 1 286.376 -1.778 20 0 CAADMP C[C@H]([NH2+]CCN(CCO)C(=O)[C@@H]1CC[N@@H+](C)C1)C(N)=O ZINC001393484829 888791475 /nfs/dbraw/zinc/79/14/75/888791475.db2.gz WMDYAIFIQDCIRW-WDEREUQCSA-N 2 1 286.376 -1.778 20 0 CAADMP C[C@H]([NH2+]CCN(CCO)C(=O)[C@H]1CC[N@@H+](C)C1)C(N)=O ZINC001393484825 888792277 /nfs/dbraw/zinc/79/22/77/888792277.db2.gz WMDYAIFIQDCIRW-QWRGUYRKSA-N 2 1 286.376 -1.778 20 0 CAADMP C[C@@H]([NH2+]CCN(CCO)C(=O)[C@H]1CC[N@@H+](C)C1)C(N)=O ZINC001393484821 888792421 /nfs/dbraw/zinc/79/24/21/888792421.db2.gz WMDYAIFIQDCIRW-MNOVXSKESA-N 2 1 286.376 -1.778 20 0 CAADMP C[N@H+]1CC[C@@H](C(=O)N2CCO[C@H](C[NH2+]CC(N)=O)C2)C1 ZINC001393587803 888794603 /nfs/dbraw/zinc/79/46/03/888794603.db2.gz TUNPTFGXJSDEKK-GHMZBOCLSA-N 2 1 284.360 -1.760 20 0 CAADMP C[N@@H+]1CCO[C@@H](C(=O)NCC2([NH2+]CC(N)=O)CCC2)C1 ZINC001393547228 888796567 /nfs/dbraw/zinc/79/65/67/888796567.db2.gz SFULSWRCKREJDB-SNVBAGLBSA-N 2 1 284.360 -1.569 20 0 CAADMP C[N@H+]1CCO[C@@H](C(=O)NCC2([NH2+]CC(N)=O)CCC2)C1 ZINC001393547228 888796577 /nfs/dbraw/zinc/79/65/77/888796577.db2.gz SFULSWRCKREJDB-SNVBAGLBSA-N 2 1 284.360 -1.569 20 0 CAADMP C[N@H+]1CC[C@H](C(=O)N2CCC(O)(C[NH2+]CC(N)=O)CC2)C1 ZINC001393778595 888805055 /nfs/dbraw/zinc/80/50/55/888805055.db2.gz VNGXZWMOZXNWLB-NSHDSACASA-N 2 1 298.387 -1.634 20 0 CAADMP CN(C(=O)[C@@H]1C[N@H+](C)CCO1)[C@H](C[NH2+]CC(N)=O)C1CC1 ZINC001394429238 888830300 /nfs/dbraw/zinc/83/03/00/888830300.db2.gz QPRSOKJIXZMSBM-NEPJUHHUSA-N 2 1 298.387 -1.371 20 0 CAADMP CN(C(=O)[C@@H]1C[N@@H+](C)CCO1)[C@H](C[NH2+]CC(N)=O)C1CC1 ZINC001394429238 888830307 /nfs/dbraw/zinc/83/03/07/888830307.db2.gz QPRSOKJIXZMSBM-NEPJUHHUSA-N 2 1 298.387 -1.371 20 0 CAADMP CN(C(=O)[C@@H]1C[N@H+](C)CCO1)[C@@H](C[NH2+]CC(N)=O)C1CC1 ZINC001394429284 888832108 /nfs/dbraw/zinc/83/21/08/888832108.db2.gz QPRSOKJIXZMSBM-RYUDHWBXSA-N 2 1 298.387 -1.371 20 0 CAADMP CN(C(=O)[C@@H]1C[N@@H+](C)CCO1)[C@@H](C[NH2+]CC(N)=O)C1CC1 ZINC001394429284 888832112 /nfs/dbraw/zinc/83/21/12/888832112.db2.gz QPRSOKJIXZMSBM-RYUDHWBXSA-N 2 1 298.387 -1.371 20 0 CAADMP C[C@H](CN(C)C(=O)[C@H]1CCC[N@H+]1C)[NH2+]CC(=O)NC(N)=O ZINC001394510285 888833379 /nfs/dbraw/zinc/83/33/79/888833379.db2.gz YWDLYZPRYDULAO-NXEZZACHSA-N 2 1 299.375 -1.288 20 0 CAADMP C[N@@H+](CC(=O)NC[C@H](CO)[NH2+][C@@H]1CCNC1=O)C1CCC1 ZINC001394601945 888855782 /nfs/dbraw/zinc/85/57/82/888855782.db2.gz GFZCHGDTAKMTRO-ZYHUDNBSSA-N 2 1 298.387 -1.574 20 0 CAADMP C[N@@H+](CC(=O)NC[C@@H](CO)[NH2+][C@H]1CCNC1=O)C1CCC1 ZINC001394601942 888858573 /nfs/dbraw/zinc/85/85/73/888858573.db2.gz GFZCHGDTAKMTRO-JQWIXIFHSA-N 2 1 298.387 -1.574 20 0 CAADMP Cn1nccc1C[NH2+][C@@H](CO)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001394658516 888877387 /nfs/dbraw/zinc/87/73/87/888877387.db2.gz XMEDESRLRQEKNT-NWDGAFQWSA-N 2 1 295.387 -1.062 20 0 CAADMP CN(C[C@@H](O)C[NH2+]CC(N)=O)C(=O)[C@H]1CCC[N@H+]1C ZINC001394749952 888887847 /nfs/dbraw/zinc/88/78/47/888887847.db2.gz HYFODSWTHDKHPU-VHSXEESVSA-N 2 1 272.349 -2.025 20 0 CAADMP CN(C[C@H](O)C[NH2+]CC(N)=O)C(=O)[C@H]1CCC[N@H+]1C ZINC001394749951 888889393 /nfs/dbraw/zinc/88/93/93/888889393.db2.gz HYFODSWTHDKHPU-NXEZZACHSA-N 2 1 272.349 -2.025 20 0 CAADMP CN(C[C@@H](O)C[NH2+]Cc1cnn(C)n1)C(=O)CC[NH+](C)C ZINC001394761020 888891941 /nfs/dbraw/zinc/89/19/41/888891941.db2.gz NEJNYFZYECSTEK-LBPRGKRZSA-N 2 1 298.391 -1.324 20 0 CAADMP CN(C[C@@H](O)C[N@@H+](C)CCO)C(=O)C12CC[NH+](CC1)C2 ZINC001394780994 888895231 /nfs/dbraw/zinc/89/52/31/888895231.db2.gz GSSRDBFEUIOBIR-LBPRGKRZSA-N 2 1 285.388 -1.174 20 0 CAADMP CN(C[C@@H](O)C[N@@H+](C)CCO)C(=O)C[NH+]1CCCC1 ZINC001394792491 888900860 /nfs/dbraw/zinc/90/08/60/888900860.db2.gz OIWPCJBPUJNNOG-LBPRGKRZSA-N 2 1 273.377 -1.174 20 0 CAADMP CNC(=O)[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001398543036 888997366 /nfs/dbraw/zinc/99/73/66/888997366.db2.gz MADMQABODUMVAE-DDHJBXDOSA-N 2 1 298.387 -1.312 20 0 CAADMP CNC(=O)[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001398543036 888997374 /nfs/dbraw/zinc/99/73/74/888997374.db2.gz MADMQABODUMVAE-DDHJBXDOSA-N 2 1 298.387 -1.312 20 0 CAADMP CNC(=O)[C@H](C)[NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001398543042 888998502 /nfs/dbraw/zinc/99/85/02/888998502.db2.gz MADMQABODUMVAE-FIQHERPVSA-N 2 1 298.387 -1.312 20 0 CAADMP CNC(=O)[C@H](C)[NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001398543042 888998520 /nfs/dbraw/zinc/99/85/20/888998520.db2.gz MADMQABODUMVAE-FIQHERPVSA-N 2 1 298.387 -1.312 20 0 CAADMP CC[N@@H+]1CCO[C@H](C(=O)NC[C@@H](C)[NH2+]CC(N)=O)C1 ZINC001399153130 889031109 /nfs/dbraw/zinc/03/11/09/889031109.db2.gz HRAVJRMUXKKVET-ZJUUUORDSA-N 2 1 272.349 -1.713 20 0 CAADMP C[C@H](C[NH2+]CC(N)=O)N(C)C(=O)CC[NH+]1CCOCC1 ZINC001401253101 889131556 /nfs/dbraw/zinc/13/15/56/889131556.db2.gz BASXNAOLQMKMIO-LLVKDONJSA-N 2 1 286.376 -1.370 20 0 CAADMP CN(CC[N@H+](C)CC(=O)NC(N)=O)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001401437237 889135475 /nfs/dbraw/zinc/13/54/75/889135475.db2.gz JZLHFLRPIBORJM-SNVBAGLBSA-N 2 1 299.375 -1.477 20 0 CAADMP CN(CC[N@@H+](C)CC(=O)NC(N)=O)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001401437237 889135485 /nfs/dbraw/zinc/13/54/85/889135485.db2.gz JZLHFLRPIBORJM-SNVBAGLBSA-N 2 1 299.375 -1.477 20 0 CAADMP CN(CC[NH+](C)CC(=O)NC(N)=O)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001401437237 889135495 /nfs/dbraw/zinc/13/54/95/889135495.db2.gz JZLHFLRPIBORJM-SNVBAGLBSA-N 2 1 299.375 -1.477 20 0 CAADMP CN(CC[NH+](C)CC(=O)NC(N)=O)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001401437237 889135503 /nfs/dbraw/zinc/13/55/03/889135503.db2.gz JZLHFLRPIBORJM-SNVBAGLBSA-N 2 1 299.375 -1.477 20 0 CAADMP C[C@@H]1[C@H](C(=O)NC[C@@H](O)C[NH2+]CC(N)=O)CC[N@H+]1C ZINC001401518574 889149023 /nfs/dbraw/zinc/14/90/23/889149023.db2.gz YDKZTBFITRWRJR-KXUCPTDWSA-N 2 1 272.349 -2.121 20 0 CAADMP CC[C@@H](C(=O)NC[C@@H](O)C[NH2+]Cc1ncnn1C)[NH+](C)C ZINC001401551749 889157000 /nfs/dbraw/zinc/15/70/00/889157000.db2.gz HBWWWKWCEZJRCP-QWRGUYRKSA-N 2 1 298.391 -1.278 20 0 CAADMP CC[C@@H]([NH2+]C[C@@H](O)CNC(=O)Cn1cc[nH+]c1C)C(N)=O ZINC001401563507 889158236 /nfs/dbraw/zinc/15/82/36/889158236.db2.gz JJIBAMQYPALNHP-GHMZBOCLSA-N 2 1 297.359 -1.478 20 0 CAADMP CN(C)C(=O)C[NH2+]C[C@H](O)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001401574944 889163964 /nfs/dbraw/zinc/16/39/64/889163964.db2.gz FCBVZDSIZNFPPH-MNOVXSKESA-N 2 1 286.376 -1.907 20 0 CAADMP Cn1ncnc1C[NH2+]C[C@H](O)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001401589399 889168938 /nfs/dbraw/zinc/16/89/38/889168938.db2.gz XIGWAWXFZYCPRU-QWRGUYRKSA-N 2 1 296.375 -1.667 20 0 CAADMP Cn1ncnc1C[NH2+]C[C@H](O)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001401589399 889168942 /nfs/dbraw/zinc/16/89/42/889168942.db2.gz XIGWAWXFZYCPRU-QWRGUYRKSA-N 2 1 296.375 -1.667 20 0 CAADMP Cn1ncnc1C[NH2+]C[C@H](O)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001401589390 889168999 /nfs/dbraw/zinc/16/89/99/889168999.db2.gz XIGWAWXFZYCPRU-MNOVXSKESA-N 2 1 296.375 -1.667 20 0 CAADMP Cn1ncnc1C[NH2+]C[C@H](O)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001401589390 889169001 /nfs/dbraw/zinc/16/90/01/889169001.db2.gz XIGWAWXFZYCPRU-MNOVXSKESA-N 2 1 296.375 -1.667 20 0 CAADMP C[C@H](C[NH2+]Cc1nnnn1C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001401663438 889175776 /nfs/dbraw/zinc/17/57/76/889175776.db2.gz AYEJIKRMGQBOFK-NXEZZACHSA-N 2 1 281.364 -1.244 20 0 CAADMP C[C@H](C[NH2+]Cc1nnnn1C)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001401663438 889175785 /nfs/dbraw/zinc/17/57/85/889175785.db2.gz AYEJIKRMGQBOFK-NXEZZACHSA-N 2 1 281.364 -1.244 20 0 CAADMP C[C@@H](C[NH2+]CC(=O)NC(N)=O)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001401717798 889179231 /nfs/dbraw/zinc/17/92/31/889179231.db2.gz NQYZNKOTLWIIGP-UWVGGRQHSA-N 2 1 299.375 -1.383 20 0 CAADMP C[C@@H](C[NH2+]CC(=O)NC(N)=O)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001401717802 889180135 /nfs/dbraw/zinc/18/01/35/889180135.db2.gz NQYZNKOTLWIIGP-VHSXEESVSA-N 2 1 299.375 -1.383 20 0 CAADMP C[N@H+]1CC[C@@H](C(=O)NCC2([NH2+]CC(=O)NC(N)=O)CC2)C1 ZINC001401987058 889197649 /nfs/dbraw/zinc/19/76/49/889197649.db2.gz VAPIJBGLCYNYTE-SECBINFHSA-N 2 1 297.359 -1.629 20 0 CAADMP CC(C)[N@H+](C)CC(=O)NC[C@@]1(O)CC[NH+](CC(N)=O)C1 ZINC001402308965 889220480 /nfs/dbraw/zinc/22/04/80/889220480.db2.gz HSESYNVDNRZQFF-ZDUSSCGKSA-N 2 1 286.376 -1.635 20 0 CAADMP CC(C)[N@@H+](C)CC(=O)NC[C@@]1(O)CC[NH+](CC(N)=O)C1 ZINC001402308965 889220493 /nfs/dbraw/zinc/22/04/93/889220493.db2.gz HSESYNVDNRZQFF-ZDUSSCGKSA-N 2 1 286.376 -1.635 20 0 CAADMP CC(C)[NH+](C)CC(=O)NC[C@@]1(O)CC[N@H+](CC(N)=O)C1 ZINC001402308965 889220511 /nfs/dbraw/zinc/22/05/11/889220511.db2.gz HSESYNVDNRZQFF-ZDUSSCGKSA-N 2 1 286.376 -1.635 20 0 CAADMP CC(C)[NH+](C)CC(=O)NC[C@@]1(O)CC[N@@H+](CC(N)=O)C1 ZINC001402308965 889220526 /nfs/dbraw/zinc/22/05/26/889220526.db2.gz HSESYNVDNRZQFF-ZDUSSCGKSA-N 2 1 286.376 -1.635 20 0 CAADMP Cc1[nH+]ccn1CC(=O)NC[C@@]1(O)CC[N@H+](CCO)C1 ZINC001402325971 889225030 /nfs/dbraw/zinc/22/50/30/889225030.db2.gz YWNXPSIZJYUMAD-ZDUSSCGKSA-N 2 1 282.344 -1.263 20 0 CAADMP Cc1[nH+]ccn1CC(=O)NC[C@@]1(O)CC[N@@H+](CCO)C1 ZINC001402325971 889225042 /nfs/dbraw/zinc/22/50/42/889225042.db2.gz YWNXPSIZJYUMAD-ZDUSSCGKSA-N 2 1 282.344 -1.263 20 0 CAADMP Cc1[nH+]ccn1CC(=O)NC[C@]1(O)CC[N@H+](CCO)C1 ZINC001402325967 889227138 /nfs/dbraw/zinc/22/71/38/889227138.db2.gz YWNXPSIZJYUMAD-CYBMUJFWSA-N 2 1 282.344 -1.263 20 0 CAADMP Cc1[nH+]ccn1CC(=O)NC[C@]1(O)CC[N@@H+](CCO)C1 ZINC001402325967 889227158 /nfs/dbraw/zinc/22/71/58/889227158.db2.gz YWNXPSIZJYUMAD-CYBMUJFWSA-N 2 1 282.344 -1.263 20 0 CAADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@](CO)([NH2+]CC(N)=O)C1 ZINC001402727061 889259719 /nfs/dbraw/zinc/25/97/19/889259719.db2.gz QZEPPANVFWXINL-BXUZGUMPSA-N 2 1 298.387 -1.491 20 0 CAADMP CNC(=O)C[NH2+][C@@H](C)CNC(=O)CC[NH+]1CCOCC1 ZINC001403080069 889282983 /nfs/dbraw/zinc/28/29/83/889282983.db2.gz VNKDXAVKRUKQHP-NSHDSACASA-N 2 1 286.376 -1.451 20 0 CAADMP Cc1c[nH+]cn1CC(=O)NC[C@H](CO)[NH2+][C@@H](C)C(N)=O ZINC001403686599 889348280 /nfs/dbraw/zinc/34/82/80/889348280.db2.gz OULJLNQRYGMUSX-VHSXEESVSA-N 2 1 283.332 -1.868 20 0 CAADMP Cc1c[nH+]cn1CC(=O)NC[C@@H](CO)[NH2+][C@@H]1CCNC1=O ZINC001403685808 889350150 /nfs/dbraw/zinc/35/01/50/889350150.db2.gz MSFFLNNVIGZJKR-WDEREUQCSA-N 2 1 295.343 -1.853 20 0 CAADMP CC[N@H+](CCNC(=O)[C@H]1CCC[NH+]1C)CC(=O)NC(N)=O ZINC001403816645 889369042 /nfs/dbraw/zinc/36/90/42/889369042.db2.gz IOUIUIOPBKIPJV-SNVBAGLBSA-N 2 1 299.375 -1.286 20 0 CAADMP CC[N@@H+](CCNC(=O)[C@H]1CCC[NH+]1C)CC(=O)NC(N)=O ZINC001403816645 889369054 /nfs/dbraw/zinc/36/90/54/889369054.db2.gz IOUIUIOPBKIPJV-SNVBAGLBSA-N 2 1 299.375 -1.286 20 0 CAADMP CC[NH+](CCNC(=O)[C@H]1CCC[N@@H+]1C)CC(=O)NC(N)=O ZINC001403816645 889369064 /nfs/dbraw/zinc/36/90/64/889369064.db2.gz IOUIUIOPBKIPJV-SNVBAGLBSA-N 2 1 299.375 -1.286 20 0 CAADMP CC[NH+](CCNC(=O)[C@H]1CCC[N@H+]1C)CC(=O)NC(N)=O ZINC001403816645 889369073 /nfs/dbraw/zinc/36/90/73/889369073.db2.gz IOUIUIOPBKIPJV-SNVBAGLBSA-N 2 1 299.375 -1.286 20 0 CAADMP CN(C[C@@H](O)C[NH2+]CC(N)=O)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001403874970 889378378 /nfs/dbraw/zinc/37/83/78/889378378.db2.gz HZPVVWMWSHOBCJ-UWVGGRQHSA-N 2 1 272.349 -2.168 20 0 CAADMP Cc1c[nH+]cn1CC(=O)N(C)C[C@@H](O)C[NH2+]C[C@@H](C)O ZINC001403855450 889380012 /nfs/dbraw/zinc/38/00/12/889380012.db2.gz WNYSHBNCMAQXQQ-NEPJUHHUSA-N 2 1 284.360 -1.019 20 0 CAADMP CN(C[C@H](O)C[NH2+]CC(N)=O)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001403874971 889380729 /nfs/dbraw/zinc/38/07/29/889380729.db2.gz HZPVVWMWSHOBCJ-VHSXEESVSA-N 2 1 272.349 -2.168 20 0 CAADMP CN(C[C@@H](O)C[NH2+]Cc1nncn1C)C(=O)CC[NH+](C)C ZINC001403879427 889384170 /nfs/dbraw/zinc/38/41/70/889384170.db2.gz UOUCGBOGNZYZEI-NSHDSACASA-N 2 1 298.391 -1.324 20 0 CAADMP CN(C[C@@H](O)C[N@H+](C)CC(N)=O)C(=O)[C@H]1CCC[NH+]1C ZINC001403898373 889385186 /nfs/dbraw/zinc/38/51/86/889385186.db2.gz QLANZDYUHAOWSZ-WDEREUQCSA-N 2 1 286.376 -1.683 20 0 CAADMP CN(C[C@@H](O)C[N@@H+](C)CC(N)=O)C(=O)[C@H]1CCC[NH+]1C ZINC001403898373 889385195 /nfs/dbraw/zinc/38/51/95/889385195.db2.gz QLANZDYUHAOWSZ-WDEREUQCSA-N 2 1 286.376 -1.683 20 0 CAADMP CN(C[C@@H](O)C[NH+](C)CC(N)=O)C(=O)[C@H]1CCC[N@@H+]1C ZINC001403898373 889385201 /nfs/dbraw/zinc/38/52/01/889385201.db2.gz QLANZDYUHAOWSZ-WDEREUQCSA-N 2 1 286.376 -1.683 20 0 CAADMP CN(C[C@@H](O)C[NH+](C)CC(N)=O)C(=O)[C@H]1CCC[N@H+]1C ZINC001403898373 889385211 /nfs/dbraw/zinc/38/52/11/889385211.db2.gz QLANZDYUHAOWSZ-WDEREUQCSA-N 2 1 286.376 -1.683 20 0 CAADMP CC[C@H](CNC(=O)[C@H]1CCC[N@H+]1C)[NH2+]CC(=O)NC(N)=O ZINC001405197896 889431305 /nfs/dbraw/zinc/43/13/05/889431305.db2.gz COFIDNLXXYHKPW-NXEZZACHSA-N 2 1 299.375 -1.240 20 0 CAADMP CN(C)C(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001406200860 889483044 /nfs/dbraw/zinc/48/30/44/889483044.db2.gz CQOARBDSFVBULM-MNOVXSKESA-N 2 1 286.376 -1.765 20 0 CAADMP Cn1ncnc1C[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001406228459 889493033 /nfs/dbraw/zinc/49/30/33/889493033.db2.gz ZIDXBFBRSLMNDT-QWRGUYRKSA-N 2 1 296.375 -1.524 20 0 CAADMP Cn1ncnc1C[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001406228459 889493044 /nfs/dbraw/zinc/49/30/44/889493044.db2.gz ZIDXBFBRSLMNDT-QWRGUYRKSA-N 2 1 296.375 -1.524 20 0 CAADMP C[N@@H+](CC(=O)NC[C@H](O)C[NH2+][C@H]1CCNC1=O)C1CCC1 ZINC001406246351 889495674 /nfs/dbraw/zinc/49/56/74/889495674.db2.gz PHIFGPXYBKQLRD-NEPJUHHUSA-N 2 1 298.387 -1.574 20 0 CAADMP CC[C@@H]([NH2+]C[C@@H](O)CNC(=O)Cn1c[nH+]cc1C)C(N)=O ZINC001406240775 889496267 /nfs/dbraw/zinc/49/62/67/889496267.db2.gz GXBQYRBSOPGZIO-GHMZBOCLSA-N 2 1 297.359 -1.478 20 0 CAADMP C[N@H+]1CCC[C@H]1CCC(=O)NC[C@H](O)C[NH2+]CC(N)=O ZINC001406254279 889498708 /nfs/dbraw/zinc/49/87/08/889498708.db2.gz XEWHXHOODCZQJF-WDEREUQCSA-N 2 1 286.376 -1.587 20 0 CAADMP Cn1ncnc1C[NH2+]C[C@@H](O)CNC(=O)CC[NH+](C)C ZINC001406256270 889498817 /nfs/dbraw/zinc/49/88/17/889498817.db2.gz HRLSNCUSPSHJEW-SNVBAGLBSA-N 2 1 284.364 -1.667 20 0 CAADMP CC(C)c1[nH+]ccn1CC(=O)NC[C@H](O)C[NH2+]CC(N)=O ZINC001406267278 889504272 /nfs/dbraw/zinc/50/42/72/889504272.db2.gz NFEAIWFROAHDLM-SNVBAGLBSA-N 2 1 297.359 -1.442 20 0 CAADMP Cn1cc(C[NH2+]C[C@@H](O)CNC(=O)[C@@H]2CC[N@@H+](C)C2)cn1 ZINC001406275500 889505517 /nfs/dbraw/zinc/50/55/17/889505517.db2.gz CGDVUQVGHCGSCZ-CHWSQXEVSA-N 2 1 295.387 -1.062 20 0 CAADMP C[C@H](O)C[NH2+]C1(CNC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001406912805 889545406 /nfs/dbraw/zinc/54/54/06/889545406.db2.gz SSSUMBZXKNYMRT-WDEREUQCSA-N 2 1 271.361 -1.064 20 0 CAADMP C[C@H](O)C[NH2+]C1(CNC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001406912805 889545411 /nfs/dbraw/zinc/54/54/11/889545411.db2.gz SSSUMBZXKNYMRT-WDEREUQCSA-N 2 1 271.361 -1.064 20 0 CAADMP CC[N@@H+](C)CCC(=O)NCC1([NH2+]CC(=O)NC(N)=O)CC1 ZINC001406987528 889550194 /nfs/dbraw/zinc/55/01/94/889550194.db2.gz VNINTHSPCGLROD-UHFFFAOYSA-N 2 1 299.375 -1.239 20 0 CAADMP NC(=O)C[NH2+]C[C@@H]1CCCN1C(=O)CC[NH+]1CCOCC1 ZINC001407119431 889557491 /nfs/dbraw/zinc/55/74/91/889557491.db2.gz WWRTYDHQRKBTDN-LBPRGKRZSA-N 2 1 298.387 -1.225 20 0 CAADMP C[N@@H+]1CC[C@@H](C(=O)NC[C@@]2(O)CC[NH+](CC(N)=O)C2)C1 ZINC001407393293 889568758 /nfs/dbraw/zinc/56/87/58/889568758.db2.gz ZSVPZMKEFLCUFY-MFKMUULPSA-N 2 1 284.360 -2.024 20 0 CAADMP C[N@H+]1CC[C@@H](C(=O)NC[C@@]2(O)CC[NH+](CC(N)=O)C2)C1 ZINC001407393293 889568769 /nfs/dbraw/zinc/56/87/69/889568769.db2.gz ZSVPZMKEFLCUFY-MFKMUULPSA-N 2 1 284.360 -2.024 20 0 CAADMP C[NH+]1CC[C@@H](C(=O)NC[C@@]2(O)CC[N@H+](CC(N)=O)C2)C1 ZINC001407393293 889568779 /nfs/dbraw/zinc/56/87/79/889568779.db2.gz ZSVPZMKEFLCUFY-MFKMUULPSA-N 2 1 284.360 -2.024 20 0 CAADMP C[NH+]1CC[C@@H](C(=O)NC[C@@]2(O)CC[N@@H+](CC(N)=O)C2)C1 ZINC001407393293 889568789 /nfs/dbraw/zinc/56/87/89/889568789.db2.gz ZSVPZMKEFLCUFY-MFKMUULPSA-N 2 1 284.360 -2.024 20 0 CAADMP C[N@@H+]1CC[C@@H](C(=O)NC[C@]2(O)CC[NH+](CC(N)=O)C2)C1 ZINC001407393301 889569670 /nfs/dbraw/zinc/56/96/70/889569670.db2.gz ZSVPZMKEFLCUFY-ZWNOBZJWSA-N 2 1 284.360 -2.024 20 0 CAADMP C[N@H+]1CC[C@@H](C(=O)NC[C@]2(O)CC[NH+](CC(N)=O)C2)C1 ZINC001407393301 889569682 /nfs/dbraw/zinc/56/96/82/889569682.db2.gz ZSVPZMKEFLCUFY-ZWNOBZJWSA-N 2 1 284.360 -2.024 20 0 CAADMP C[NH+]1CC[C@@H](C(=O)NC[C@]2(O)CC[N@H+](CC(N)=O)C2)C1 ZINC001407393301 889569699 /nfs/dbraw/zinc/56/96/99/889569699.db2.gz ZSVPZMKEFLCUFY-ZWNOBZJWSA-N 2 1 284.360 -2.024 20 0 CAADMP C[NH+]1CC[C@@H](C(=O)NC[C@]2(O)CC[N@@H+](CC(N)=O)C2)C1 ZINC001407393301 889569710 /nfs/dbraw/zinc/56/97/10/889569710.db2.gz ZSVPZMKEFLCUFY-ZWNOBZJWSA-N 2 1 284.360 -2.024 20 0 CAADMP C[N@H+]1CCCC[C@H]1C(=O)N1CCO[C@H](C[NH2+]CC(N)=O)C1 ZINC001407847603 889592308 /nfs/dbraw/zinc/59/23/08/889592308.db2.gz IEJWELURHQTAQQ-NEPJUHHUSA-N 2 1 298.387 -1.227 20 0 CAADMP C[N@@H+]1CCO[C@H](C(=O)N2CCC(C)([NH2+]CC(N)=O)CC2)C1 ZINC001408088069 889601773 /nfs/dbraw/zinc/60/17/73/889601773.db2.gz NWFZJQBHBSRIHD-NSHDSACASA-N 2 1 298.387 -1.227 20 0 CAADMP C[N@H+]1CCO[C@H](C(=O)N2CCC(C)([NH2+]CC(N)=O)CC2)C1 ZINC001408088069 889601788 /nfs/dbraw/zinc/60/17/88/889601788.db2.gz NWFZJQBHBSRIHD-NSHDSACASA-N 2 1 298.387 -1.227 20 0 CAADMP C[C@@H](CNC(=O)C[NH+]1CCCC1)[N@H+](C)CC(=O)NC(N)=O ZINC001409674980 889640999 /nfs/dbraw/zinc/64/09/99/889640999.db2.gz HCTDTMPREMUQAS-JTQLQIEISA-N 2 1 299.375 -1.286 20 0 CAADMP C[C@@H](CNC(=O)C[NH+]1CCCC1)[N@@H+](C)CC(=O)NC(N)=O ZINC001409674980 889641013 /nfs/dbraw/zinc/64/10/13/889641013.db2.gz HCTDTMPREMUQAS-JTQLQIEISA-N 2 1 299.375 -1.286 20 0 CAADMP C[C@H](CN(C)C(=O)[C@@H]1CCC[N@H+]1C)[NH2+]CC(=O)NC(N)=O ZINC001410356234 889675449 /nfs/dbraw/zinc/67/54/49/889675449.db2.gz YWDLYZPRYDULAO-ZJUUUORDSA-N 2 1 299.375 -1.288 20 0 CAADMP C[N@@H+]1CCO[C@@H](C(=O)NC[C@H](CO)[NH2+]CC2CC2)C1 ZINC001410576003 889683411 /nfs/dbraw/zinc/68/34/11/889683411.db2.gz FJCINBNRWKEFFP-VXGBXAGGSA-N 2 1 271.361 -1.206 20 0 CAADMP C[N@H+]1CCO[C@@H](C(=O)NC[C@H](CO)[NH2+]CC2CC2)C1 ZINC001410576003 889683420 /nfs/dbraw/zinc/68/34/20/889683420.db2.gz FJCINBNRWKEFFP-VXGBXAGGSA-N 2 1 271.361 -1.206 20 0 CAADMP Cc1c[nH+]cn1CC(=O)NC[C@H](CO)[NH2+]C[C@@H](C)O ZINC001410687743 889697436 /nfs/dbraw/zinc/69/74/36/889697436.db2.gz AFHJPNGRKXSLER-GHMZBOCLSA-N 2 1 270.333 -1.361 20 0 CAADMP Cc1[nH+]cc2n1CC[C@@H](C(=O)NC[C@@H](CO)[NH2+]CCO)C2 ZINC001410716784 889706066 /nfs/dbraw/zinc/70/60/66/889706066.db2.gz CMLCMYQDTFSACN-NEPJUHHUSA-N 2 1 296.371 -1.187 20 0 CAADMP Cn1ccnc1C[NH2+][C@H](CO)CNC(=O)CC[NH+](C)C ZINC001410736690 889708336 /nfs/dbraw/zinc/70/83/36/889708336.db2.gz UJMVFBJVYCGMGA-NSHDSACASA-N 2 1 283.376 -1.062 20 0 CAADMP CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001410780326 889713093 /nfs/dbraw/zinc/71/30/93/889713093.db2.gz DXXFTNGCQPGMJY-WDEREUQCSA-N 2 1 286.376 -1.859 20 0 CAADMP O=C(NC[C@@H](CO)[NH2+]CCO)[C@@]12CC[N@@H+](C1)CCC2 ZINC001410783716 889713500 /nfs/dbraw/zinc/71/35/00/889713500.db2.gz QLGDGZZFHDMPMP-AAEUAGOBSA-N 2 1 271.361 -1.469 20 0 CAADMP Cn1ccnc1C[NH2+][C@H](CO)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001410782231 889714173 /nfs/dbraw/zinc/71/41/73/889714173.db2.gz HMERHHXUEKXOBK-NEPJUHHUSA-N 2 1 295.387 -1.062 20 0 CAADMP Cn1ccnc1C[NH2+][C@H](CO)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001410782231 889714189 /nfs/dbraw/zinc/71/41/89/889714189.db2.gz HMERHHXUEKXOBK-NEPJUHHUSA-N 2 1 295.387 -1.062 20 0 CAADMP Cn1ccnc1C[NH2+][C@H](CO)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001410782245 889714645 /nfs/dbraw/zinc/71/46/45/889714645.db2.gz HMERHHXUEKXOBK-RYUDHWBXSA-N 2 1 295.387 -1.062 20 0 CAADMP Cn1ccnc1C[NH2+][C@H](CO)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001410782245 889714653 /nfs/dbraw/zinc/71/46/53/889714653.db2.gz HMERHHXUEKXOBK-RYUDHWBXSA-N 2 1 295.387 -1.062 20 0 CAADMP C[C@@H](O)C[NH2+][C@H](CO)CNC(=O)CC[NH+]1CCOCC1 ZINC001410772218 889715300 /nfs/dbraw/zinc/71/53/00/889715300.db2.gz NHGXPOGJTIDECQ-NEPJUHHUSA-N 2 1 289.376 -1.844 20 0 CAADMP Cn1ccnc1C[NH2+][C@@H](CO)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001410782251 889715327 /nfs/dbraw/zinc/71/53/27/889715327.db2.gz HMERHHXUEKXOBK-VXGBXAGGSA-N 2 1 295.387 -1.062 20 0 CAADMP Cn1ccnc1C[NH2+][C@@H](CO)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001410782251 889715332 /nfs/dbraw/zinc/71/53/32/889715332.db2.gz HMERHHXUEKXOBK-VXGBXAGGSA-N 2 1 295.387 -1.062 20 0 CAADMP Cc1nnc(C[NH2+]C[C@H](O)CN(C)C(=O)CC[NH+](C)C)[nH]1 ZINC001411067468 889729375 /nfs/dbraw/zinc/72/93/75/889729375.db2.gz BLUDDHKCZRPYSU-NSHDSACASA-N 2 1 298.391 -1.026 20 0 CAADMP Cc1nnc(C[NH2+]C[C@@H](O)CN(C)C(=O)CC[NH+](C)C)[nH]1 ZINC001411067457 889729786 /nfs/dbraw/zinc/72/97/86/889729786.db2.gz BLUDDHKCZRPYSU-LLVKDONJSA-N 2 1 298.391 -1.026 20 0 CAADMP CNC(=O)C[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001411154018 889737905 /nfs/dbraw/zinc/73/79/05/889737905.db2.gz YYGOZHNKNCEDFZ-MNOVXSKESA-N 2 1 286.376 -1.907 20 0 CAADMP O=C(CC[N@@H+]1CC[C@H](F)C1)NC[C@@]1(CO)COCC[NH2+]1 ZINC001412465698 889835390 /nfs/dbraw/zinc/83/53/90/889835390.db2.gz NFMWNOQQHUQUSR-WCQYABFASA-N 2 1 289.351 -1.113 20 0 CAADMP O=C(CC[N@H+]1CC[C@H](F)C1)NC[C@@]1(CO)COCC[NH2+]1 ZINC001412465698 889835399 /nfs/dbraw/zinc/83/53/99/889835399.db2.gz NFMWNOQQHUQUSR-WCQYABFASA-N 2 1 289.351 -1.113 20 0 CAADMP C[NH+]1CCN(CC(=O)NCC[NH+]2CCC(O)CC2)CC1 ZINC001412842325 889897341 /nfs/dbraw/zinc/89/73/41/889897341.db2.gz YDXZOJFEBKVIBB-UHFFFAOYSA-N 2 1 284.404 -1.193 20 0 CAADMP C[NH+]1CCN(C(=O)CC[N@@H+]2CC[C@@H](O)[C@@H](CO)C2)CC1 ZINC001414000113 890038431 /nfs/dbraw/zinc/03/84/31/890038431.db2.gz OAMMLOGYOYANPR-CHWSQXEVSA-N 2 1 285.388 -1.174 20 0 CAADMP C[NH+]1CCN(C(=O)CC[N@H+]2CC[C@@H](O)[C@@H](CO)C2)CC1 ZINC001414000113 890038444 /nfs/dbraw/zinc/03/84/44/890038444.db2.gz OAMMLOGYOYANPR-CHWSQXEVSA-N 2 1 285.388 -1.174 20 0 CAADMP C[N@H+]1CC[C@H](C(=O)NCCN2CC[NH+](CCO)CC2)C1 ZINC001417929004 890178309 /nfs/dbraw/zinc/17/83/09/890178309.db2.gz OCOQTVLOJIFCQT-ZDUSSCGKSA-N 2 1 284.404 -1.336 20 0 CAADMP O=C(CC[NH+]1CCOCC1)N[C@H]1CC[N@@H+](CCO)C1 ZINC001417944470 890181617 /nfs/dbraw/zinc/18/16/17/890181617.db2.gz REAAGRAYCIXKJT-LBPRGKRZSA-N 2 1 271.361 -1.109 20 0 CAADMP O=C(CC[NH+]1CCOCC1)N[C@H]1CC[N@H+](CCO)C1 ZINC001417944470 890181621 /nfs/dbraw/zinc/18/16/21/890181621.db2.gz REAAGRAYCIXKJT-LBPRGKRZSA-N 2 1 271.361 -1.109 20 0 CAADMP C[N@@H+]1CCO[C@@H](C(=O)NC[C@H]([NH2+]CC(N)=O)C2CC2)C1 ZINC001417970517 890182109 /nfs/dbraw/zinc/18/21/09/890182109.db2.gz FNBZVMKNHJCRGQ-WDEREUQCSA-N 2 1 284.360 -1.713 20 0 CAADMP C[N@H+]1CCO[C@@H](C(=O)NC[C@H]([NH2+]CC(N)=O)C2CC2)C1 ZINC001417970517 890182119 /nfs/dbraw/zinc/18/21/19/890182119.db2.gz FNBZVMKNHJCRGQ-WDEREUQCSA-N 2 1 284.360 -1.713 20 0 CAADMP C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001418036548 890185788 /nfs/dbraw/zinc/18/57/88/890185788.db2.gz BPOCMKSBEHDOME-VHSXEESVSA-N 2 1 297.359 -1.534 20 0 CAADMP C[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001418036544 890185921 /nfs/dbraw/zinc/18/59/21/890185921.db2.gz BPOCMKSBEHDOME-UWVGGRQHSA-N 2 1 297.359 -1.534 20 0 CAADMP C[C@@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)[NH2+]CC(=O)N1CCC1 ZINC001418206258 890197172 /nfs/dbraw/zinc/19/71/72/890197172.db2.gz FSTLNZCPRRXGSQ-RYUDHWBXSA-N 2 1 298.387 -1.356 20 0 CAADMP C[C@@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)[NH2+]CC(=O)N1CCC1 ZINC001418206258 890197180 /nfs/dbraw/zinc/19/71/80/890197180.db2.gz FSTLNZCPRRXGSQ-RYUDHWBXSA-N 2 1 298.387 -1.356 20 0 CAADMP C[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)[NH2+]CC(=O)NC(N)=O ZINC001418320656 890210556 /nfs/dbraw/zinc/21/05/56/890210556.db2.gz VJVOPVLUMFDYNY-IUCAKERBSA-N 2 1 285.348 -1.773 20 0 CAADMP CNC(=O)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001418670632 890252887 /nfs/dbraw/zinc/25/28/87/890252887.db2.gz NOVLVXHCWCHURX-SRVKXCTJSA-N 2 1 298.387 -1.453 20 0 CAADMP CNC(=O)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001418670632 890252901 /nfs/dbraw/zinc/25/29/01/890252901.db2.gz NOVLVXHCWCHURX-SRVKXCTJSA-N 2 1 298.387 -1.453 20 0 CAADMP C[C@@H]1CC[N@H+](CC(=O)NC[C@]2(CO)COCC[NH2+]2)C1 ZINC001418953381 890276348 /nfs/dbraw/zinc/27/63/48/890276348.db2.gz QZOAGKCRWUZRQG-YPMHNXCESA-N 2 1 271.361 -1.205 20 0 CAADMP C[C@@H]1CC[N@@H+](CC(=O)NC[C@]2(CO)COCC[NH2+]2)C1 ZINC001418953381 890276364 /nfs/dbraw/zinc/27/63/64/890276364.db2.gz QZOAGKCRWUZRQG-YPMHNXCESA-N 2 1 271.361 -1.205 20 0 CAADMP CNC(=O)C[NH2+][C@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)C1CC1 ZINC001419242253 890314451 /nfs/dbraw/zinc/31/44/51/890314451.db2.gz HRBXEDWFEGOONJ-VXGBXAGGSA-N 2 1 298.387 -1.453 20 0 CAADMP CNC(=O)C[NH2+][C@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)C1CC1 ZINC001419242253 890314466 /nfs/dbraw/zinc/31/44/66/890314466.db2.gz HRBXEDWFEGOONJ-VXGBXAGGSA-N 2 1 298.387 -1.453 20 0 CAADMP CNC(=O)C[NH2+][C@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)C1CC1 ZINC001419242248 890315865 /nfs/dbraw/zinc/31/58/65/890315865.db2.gz HRBXEDWFEGOONJ-NEPJUHHUSA-N 2 1 298.387 -1.453 20 0 CAADMP CNC(=O)C[NH2+][C@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)C1CC1 ZINC001419242248 890315882 /nfs/dbraw/zinc/31/58/82/890315882.db2.gz HRBXEDWFEGOONJ-NEPJUHHUSA-N 2 1 298.387 -1.453 20 0 CAADMP CC[C@H](CNC(=O)[C@@H]1C[N@H+](CC)CCO1)[NH2+]CC(N)=O ZINC001419267746 890316194 /nfs/dbraw/zinc/31/61/94/890316194.db2.gz HVXATAUMNYJCQO-MNOVXSKESA-N 2 1 286.376 -1.323 20 0 CAADMP CC[C@H](CNC(=O)[C@@H]1C[N@@H+](CC)CCO1)[NH2+]CC(N)=O ZINC001419267746 890316210 /nfs/dbraw/zinc/31/62/10/890316210.db2.gz HVXATAUMNYJCQO-MNOVXSKESA-N 2 1 286.376 -1.323 20 0 CAADMP CC[C@@H](CNC(=O)[C@@H]1C[N@H+](CC)CCO1)[NH2+]CC(N)=O ZINC001419267750 890317003 /nfs/dbraw/zinc/31/70/03/890317003.db2.gz HVXATAUMNYJCQO-QWRGUYRKSA-N 2 1 286.376 -1.323 20 0 CAADMP CN(C)C(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001419398929 890324518 /nfs/dbraw/zinc/32/45/18/890324518.db2.gz HNWSTOJLJWLXKX-IJLUTSLNSA-N 2 1 298.387 -1.358 20 0 CAADMP CN(C)C(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001419398929 890324537 /nfs/dbraw/zinc/32/45/37/890324537.db2.gz HNWSTOJLJWLXKX-IJLUTSLNSA-N 2 1 298.387 -1.358 20 0 CAADMP C[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)C[NH2+]CC(=O)NC(N)=O ZINC001419553992 890333591 /nfs/dbraw/zinc/33/35/91/890333591.db2.gz YVBYVUUYCCETOR-UWVGGRQHSA-N 2 1 299.375 -1.525 20 0 CAADMP C[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)C[NH2+]CC(=O)NC(N)=O ZINC001419554004 890334209 /nfs/dbraw/zinc/33/42/09/890334209.db2.gz YVBYVUUYCCETOR-ZJUUUORDSA-N 2 1 299.375 -1.525 20 0 CAADMP C[C@@H](CNC(=O)CC[NH+]1CCOCC1)[NH2+][C@H]1CCNC1=O ZINC001419876000 890361292 /nfs/dbraw/zinc/36/12/92/890361292.db2.gz KVRJTDORAHLPFC-RYUDHWBXSA-N 2 1 298.387 -1.309 20 0 CAADMP CNC(=O)NC(=O)C[NH2+][C@@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001419919120 890362207 /nfs/dbraw/zinc/36/22/07/890362207.db2.gz IASJNSQRZXTOIN-VHSXEESVSA-N 2 1 299.375 -1.512 20 0 CAADMP C[C@@H](CNC(=O)CC[NH+]1CCOCC1)[NH2+][C@@H]1CCNC1=O ZINC001419875999 890364457 /nfs/dbraw/zinc/36/44/57/890364457.db2.gz KVRJTDORAHLPFC-NWDGAFQWSA-N 2 1 298.387 -1.309 20 0 CAADMP CC(C)[N@@H+](C)CC(=O)NC[C@@H](C)[NH2+]CC(=O)NC(N)=O ZINC001419933016 890367174 /nfs/dbraw/zinc/36/71/74/890367174.db2.gz HXIMDFZIGKJPJD-SECBINFHSA-N 2 1 287.364 -1.384 20 0 CAADMP C[C@@H]([NH2+]C[C@H](O)CNC(=O)C[N@@H+](C)C1CCC1)C(N)=O ZINC001420137736 890398782 /nfs/dbraw/zinc/39/87/82/890398782.db2.gz KIKFPYSQWJXBAF-KOLCDFICSA-N 2 1 286.376 -1.589 20 0 CAADMP C[C@@H]([NH2+]C[C@@H](O)CNC(=O)C[N@@H+](C)C1CCC1)C(N)=O ZINC001420137737 890398913 /nfs/dbraw/zinc/39/89/13/890398913.db2.gz KIKFPYSQWJXBAF-MWLCHTKSSA-N 2 1 286.376 -1.589 20 0 CAADMP C[C@H]([NH2+]C[C@H](O)CNC(=O)C[N@@H+](C)C1CCC1)C(N)=O ZINC001420137738 890399301 /nfs/dbraw/zinc/39/93/01/890399301.db2.gz KIKFPYSQWJXBAF-ONGXEEELSA-N 2 1 286.376 -1.589 20 0 CAADMP C[N@H+]1CC[C@@H](C(=O)NC[C@H](O)C[NH2+]CC(=O)NC2CC2)C1 ZINC001420195983 890411700 /nfs/dbraw/zinc/41/17/00/890411700.db2.gz ZGKBOFHEWQKFGY-ZYHUDNBSSA-N 2 1 298.387 -1.717 20 0 CAADMP CC[C@@H](C(=O)NC[C@H](O)C[NH2+]Cc1cn(C)nn1)[NH+](C)C ZINC001420197614 890413269 /nfs/dbraw/zinc/41/32/69/890413269.db2.gz PJFXEDJIZADIJO-NEPJUHHUSA-N 2 1 298.391 -1.278 20 0 CAADMP Cc1[nH+]ccn1CC(=O)NC[C@H](O)C[NH2+]C[C@H](C)O ZINC001420224562 890417290 /nfs/dbraw/zinc/41/72/90/890417290.db2.gz ZZGVQJKJZUGDLY-GXSJLCMTSA-N 2 1 270.333 -1.361 20 0 CAADMP CNC(=O)[C@@H](C)[NH2+]C[C@H](O)CNC(=O)C[N@@H+](C)C(C)C ZINC001420215378 890417931 /nfs/dbraw/zinc/41/79/31/890417931.db2.gz ORISDOCPVLNYJF-MNOVXSKESA-N 2 1 288.392 -1.472 20 0 CAADMP C[C@H](C[NH2+][C@H](C)C(N)=O)NC(=O)CC[NH+]1CCOCC1 ZINC001420336482 890428413 /nfs/dbraw/zinc/42/84/13/890428413.db2.gz CMSSFPTVNRZQRY-GHMZBOCLSA-N 2 1 286.376 -1.323 20 0 CAADMP CC[N@@H+]1CCO[C@H](C(=O)N(C)CC[NH2+][C@H](C)C(N)=O)C1 ZINC001420746154 890465521 /nfs/dbraw/zinc/46/55/21/890465521.db2.gz RKRNACODBPLDAZ-MNOVXSKESA-N 2 1 286.376 -1.371 20 0 CAADMP CC[N@H+]1CCO[C@H](C(=O)N(C)CC[NH2+][C@H](C)C(N)=O)C1 ZINC001420746154 890465529 /nfs/dbraw/zinc/46/55/29/890465529.db2.gz RKRNACODBPLDAZ-MNOVXSKESA-N 2 1 286.376 -1.371 20 0 CAADMP CC[C@H](C(=O)NC[C@]1(O)CC[N@H+](CC(N)=O)C1)[NH+](C)C ZINC001421361528 890497738 /nfs/dbraw/zinc/49/77/38/890497738.db2.gz ODBPHANADIYTKW-ZWNOBZJWSA-N 2 1 286.376 -1.635 20 0 CAADMP CC[C@H](C(=O)NC[C@]1(O)CC[N@@H+](CC(N)=O)C1)[NH+](C)C ZINC001421361528 890497747 /nfs/dbraw/zinc/49/77/47/890497747.db2.gz ODBPHANADIYTKW-ZWNOBZJWSA-N 2 1 286.376 -1.635 20 0 CAADMP C[NH+](C)CCC(=O)NC[C@]1(O)CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001421379684 890504602 /nfs/dbraw/zinc/50/46/02/890504602.db2.gz SVAGWWQLJUOLLQ-BXUZGUMPSA-N 2 1 298.387 -1.620 20 0 CAADMP C[NH+](C)CCC(=O)NC[C@]1(O)CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001421379684 890504619 /nfs/dbraw/zinc/50/46/19/890504619.db2.gz SVAGWWQLJUOLLQ-BXUZGUMPSA-N 2 1 298.387 -1.620 20 0 CAADMP C[NH+](C)CCCC(=O)NC[C@@]1(O)CC[N@H+](CC(N)=O)C1 ZINC001421375274 890505387 /nfs/dbraw/zinc/50/53/87/890505387.db2.gz JWJGNZXYAGFKTA-ZDUSSCGKSA-N 2 1 286.376 -1.634 20 0 CAADMP CN1CCO[C@H](C(=O)NCC2(O)C[NH+](CC3CC3)C2)C1 ZINC001421427781 890510126 /nfs/dbraw/zinc/51/01/26/890510126.db2.gz QVGJYHFBLCJCBO-LBPRGKRZSA-N 2 1 283.372 -1.110 20 0 CAADMP CN1CCO[C@@H](C(=O)NCC2(O)C[NH+](CC3CC3)C2)C1 ZINC001421427779 890511187 /nfs/dbraw/zinc/51/11/87/890511187.db2.gz QVGJYHFBLCJCBO-GFCCVEGCSA-N 2 1 283.372 -1.110 20 0 CAADMP C[N@H+]1CCC[C@H]1C(=O)N(CCO)CC[NH2+][C@@H]1CCNC1=O ZINC001421635730 890522564 /nfs/dbraw/zinc/52/25/64/890522564.db2.gz MULTZTVSJWDKSQ-NEPJUHHUSA-N 2 1 298.387 -1.620 20 0 CAADMP C[N@H+]1CCCC[C@@H]1C(=O)N1CCO[C@H](C[NH2+]CC(N)=O)C1 ZINC001421788112 890531418 /nfs/dbraw/zinc/53/14/18/890531418.db2.gz IEJWELURHQTAQQ-VXGBXAGGSA-N 2 1 298.387 -1.227 20 0 CAADMP NC(=O)C[NH2+]CC1CC(NC(=O)CC[NH+]2CCOCC2)C1 ZINC001422277990 890566286 /nfs/dbraw/zinc/56/62/86/890566286.db2.gz OISYUURSZJZJLE-UHFFFAOYSA-N 2 1 298.387 -1.322 20 0 CAADMP Cc1nonc1C[NH2+]C[C@H](O)CNC(=O)CC[NH+](C)C ZINC001422345514 890581523 /nfs/dbraw/zinc/58/15/23/890581523.db2.gz KIJCUNFQDGCAHN-JTQLQIEISA-N 2 1 285.348 -1.104 20 0 CAADMP Cn1cncc1C[NH2+]C[C@H](O)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001422399347 890588738 /nfs/dbraw/zinc/58/87/38/890588738.db2.gz AXPPWZMVLYLVCP-YPMHNXCESA-N 2 1 295.387 -1.062 20 0 CAADMP Cn1ccc(C[NH2+]C[C@@H](O)CNC(=O)[C@H]2CC[N@@H+](C)C2)n1 ZINC001422403108 890591818 /nfs/dbraw/zinc/59/18/18/890591818.db2.gz LGGVQHQNHDTMPD-WCQYABFASA-N 2 1 295.387 -1.062 20 0 CAADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@H](C)C[NH2+]CC(N)=O)C1 ZINC001422597397 890598934 /nfs/dbraw/zinc/59/89/34/890598934.db2.gz IYMVUPDSLGEMOQ-NXEZZACHSA-N 2 1 272.349 -1.713 20 0 CAADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@H](C)C[NH2+]CC(N)=O)C1 ZINC001422597397 890598943 /nfs/dbraw/zinc/59/89/43/890598943.db2.gz IYMVUPDSLGEMOQ-NXEZZACHSA-N 2 1 272.349 -1.713 20 0 CAADMP C[C@H]1C[C@@H](C(=O)NC[C@@H](CO)[NH2+]CCO)CC[N@H+]1C ZINC001423253972 890654703 /nfs/dbraw/zinc/65/47/03/890654703.db2.gz DKIVHODBEZXRRL-SRVKXCTJSA-N 2 1 273.377 -1.224 20 0 CAADMP CC(C)[N@@H+](C)CC(=O)NC[C@@H](CO)[NH2+][C@@H]1CCNC1=O ZINC001423306995 890663490 /nfs/dbraw/zinc/66/34/90/890663490.db2.gz YAXUDCIXPOWFCU-WDEREUQCSA-N 2 1 286.376 -1.718 20 0 CAADMP CC(C)[N@@H+](C)CC(=O)NC[C@H](CO)[NH2+][C@H]1CCNC1=O ZINC001423306989 890664047 /nfs/dbraw/zinc/66/40/47/890664047.db2.gz YAXUDCIXPOWFCU-MNOVXSKESA-N 2 1 286.376 -1.718 20 0 CAADMP Cc1c[nH+]cn1CC(=O)N(C)C[C@@H](O)C[NH2+][C@H](C)C(N)=O ZINC001423462749 890678109 /nfs/dbraw/zinc/67/81/09/890678109.db2.gz RVVMQPNRKZNLBG-MNOVXSKESA-N 2 1 297.359 -1.526 20 0 CAADMP O=C(NC[C@]1(O)CC[N@H+](CCO)C1)[C@@H]1C[NH+]2CCC1CC2 ZINC001423768420 890692143 /nfs/dbraw/zinc/69/21/43/890692143.db2.gz TYMXWNLUCMLZDF-UKRRQHHQSA-N 2 1 297.399 -1.127 20 0 CAADMP C[N@@H+]1CCO[C@@H](C(=O)NC[C@@]2(O)CC[NH+](CCO)C2)C1 ZINC001423745328 890694838 /nfs/dbraw/zinc/69/48/38/890694838.db2.gz VELUDJHWZQBBHD-YPMHNXCESA-N 2 1 287.360 -2.138 20 0 CAADMP C[N@H+]1CCO[C@@H](C(=O)NC[C@@]2(O)CC[NH+](CCO)C2)C1 ZINC001423745328 890694848 /nfs/dbraw/zinc/69/48/48/890694848.db2.gz VELUDJHWZQBBHD-YPMHNXCESA-N 2 1 287.360 -2.138 20 0 CAADMP CC[C@@H](C(=O)NC[C@]1(O)CC[N@H+](CC(N)=O)C1)[NH+](C)C ZINC001423798521 890699093 /nfs/dbraw/zinc/69/90/93/890699093.db2.gz ODBPHANADIYTKW-GXFFZTMASA-N 2 1 286.376 -1.635 20 0 CAADMP CC[C@@H](C(=O)NC[C@]1(O)CC[N@@H+](CC(N)=O)C1)[NH+](C)C ZINC001423798521 890699098 /nfs/dbraw/zinc/69/90/98/890699098.db2.gz ODBPHANADIYTKW-GXFFZTMASA-N 2 1 286.376 -1.635 20 0 CAADMP Cc1[nH+]ccn1CC(=O)N(CCO)CC[NH2+][C@@H](C)C(N)=O ZINC001424043117 890720112 /nfs/dbraw/zinc/72/01/12/890720112.db2.gz ACGLVRLZLWPSFS-JTQLQIEISA-N 2 1 297.359 -1.524 20 0 CAADMP Cc1[nH+]ccn1CC(=O)N(CCO)CC[NH2+][C@H](C)C(N)=O ZINC001424043127 890720647 /nfs/dbraw/zinc/72/06/47/890720647.db2.gz ACGLVRLZLWPSFS-SNVBAGLBSA-N 2 1 297.359 -1.524 20 0 CAADMP C[C@@H]1[C@H](C(=O)N2CCO[C@@H](C[NH2+]CC(N)=O)C2)CC[N@H+]1C ZINC001424223558 890721638 /nfs/dbraw/zinc/72/16/38/890721638.db2.gz VRXSECLGRZRVPC-GRYCIOLGSA-N 2 1 298.387 -1.371 20 0 CAADMP C[C@@H]1[C@H](C(=O)N2CCO[C@H](C[NH2+]CC(N)=O)C2)CC[N@H+]1C ZINC001424223561 890723895 /nfs/dbraw/zinc/72/38/95/890723895.db2.gz VRXSECLGRZRVPC-IJLUTSLNSA-N 2 1 298.387 -1.371 20 0 CAADMP CC(C)[N@@H+](C)CC(=O)N1CCO[C@@H](C[NH2+]CC(N)=O)C1 ZINC001424245217 890725297 /nfs/dbraw/zinc/72/52/97/890725297.db2.gz WHMHOLDNMVYLJG-NSHDSACASA-N 2 1 286.376 -1.371 20 0 CAADMP CC(C)[N@@H+](C)CC(=O)N1CCO[C@H](C[NH2+]CC(N)=O)C1 ZINC001424245213 890727810 /nfs/dbraw/zinc/72/78/10/890727810.db2.gz WHMHOLDNMVYLJG-LLVKDONJSA-N 2 1 286.376 -1.371 20 0 CAADMP C[N@H+]1CC[C@H](C(=O)NC2(C[NH2+]CC(N)=O)CCOCC2)C1 ZINC001424440288 890734462 /nfs/dbraw/zinc/73/44/62/890734462.db2.gz RSVNHFPLIPQKIP-NSHDSACASA-N 2 1 298.387 -1.322 20 0 CAADMP COC[C@H](O)C[NH2+][C@@H](CO)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001425786044 890819185 /nfs/dbraw/zinc/81/91/85/890819185.db2.gz ARDDIJXTAAHXEI-IJLUTSLNSA-N 2 1 289.376 -1.845 20 0 CAADMP CNC(=O)[C@H](C)[NH2+][C@H](CO)CNC(=O)Cn1c[nH+]cc1C ZINC001425788527 890819551 /nfs/dbraw/zinc/81/95/51/890819551.db2.gz UVZQENCRRVSXAZ-QWRGUYRKSA-N 2 1 297.359 -1.607 20 0 CAADMP CC[C@@H](C(=O)NC[C@@H](CO)[NH2+]Cc1cnnn1C)[NH+](C)C ZINC001425809165 890820453 /nfs/dbraw/zinc/82/04/53/890820453.db2.gz XWYYEEPDTQSQOM-JQWIXIFHSA-N 2 1 298.391 -1.278 20 0 CAADMP Cc1[nH+]cc2n1C[C@@H](C(=O)NC[C@H](CO)[NH2+]CCO)CC2 ZINC001425805906 890822839 /nfs/dbraw/zinc/82/28/39/890822839.db2.gz ZBCSUFHOMZYBTL-NWDGAFQWSA-N 2 1 296.371 -1.187 20 0 CAADMP CCC[N@@H+](C)CC(=O)NC[C@H](CO)[NH2+][C@H]1CCNC1=O ZINC001425840069 890830454 /nfs/dbraw/zinc/83/04/54/890830454.db2.gz MBUCMXOKNAOSFR-MNOVXSKESA-N 2 1 286.376 -1.717 20 0 CAADMP COCC[N@H+](CCO)CCNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001426154140 890851960 /nfs/dbraw/zinc/85/19/60/890851960.db2.gz HHCZTZYWUSQWNC-LBPRGKRZSA-N 2 1 289.376 -1.626 20 0 CAADMP COCC[N@@H+](CCO)CCNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001426154140 890851972 /nfs/dbraw/zinc/85/19/72/890851972.db2.gz HHCZTZYWUSQWNC-LBPRGKRZSA-N 2 1 289.376 -1.626 20 0 CAADMP COCC[NH+](CCO)CCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001426154140 890851984 /nfs/dbraw/zinc/85/19/84/890851984.db2.gz HHCZTZYWUSQWNC-LBPRGKRZSA-N 2 1 289.376 -1.626 20 0 CAADMP COCC[NH+](CCO)CCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001426154140 890851994 /nfs/dbraw/zinc/85/19/94/890851994.db2.gz HHCZTZYWUSQWNC-LBPRGKRZSA-N 2 1 289.376 -1.626 20 0 CAADMP CNC(=O)[C@@H](C)[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001436944648 891158363 /nfs/dbraw/zinc/15/83/63/891158363.db2.gz MADMQABODUMVAE-WYUUTHIRSA-N 2 1 298.387 -1.312 20 0 CAADMP CNC(=O)[C@@H](C)[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001436944648 891158366 /nfs/dbraw/zinc/15/83/66/891158366.db2.gz MADMQABODUMVAE-WYUUTHIRSA-N 2 1 298.387 -1.312 20 0 CAADMP C[C@@H]([NH2+][C@@H](C)CNC(=O)CC[NH+]1CCOCC1)C(N)=O ZINC001437232631 891171009 /nfs/dbraw/zinc/17/10/09/891171009.db2.gz ZWMBCDZLZWPHGJ-WDEREUQCSA-N 2 1 286.376 -1.323 20 0 CAADMP C[C@H](CNC(=O)CC[NH+]1CCOCC1)[NH2+][C@@H](C)C(N)=O ZINC001437232628 891171182 /nfs/dbraw/zinc/17/11/82/891171182.db2.gz ZWMBCDZLZWPHGJ-MNOVXSKESA-N 2 1 286.376 -1.323 20 0 CAADMP C[C@@H](CNC(=O)CC[NH+]1CCOCC1)[NH2+][C@@H](C)C(N)=O ZINC001437232629 891171683 /nfs/dbraw/zinc/17/16/83/891171683.db2.gz ZWMBCDZLZWPHGJ-QWRGUYRKSA-N 2 1 286.376 -1.323 20 0 CAADMP C[C@@H](C(=O)NC(N)=O)[N@H+](C)CCNC(=O)CC[NH+](C)C ZINC001437514911 891184786 /nfs/dbraw/zinc/18/47/86/891184786.db2.gz BUUDIDJFAOXSSG-VIFPVBQESA-N 2 1 287.364 -1.431 20 0 CAADMP C[C@@H](C(=O)NC(N)=O)[N@@H+](C)CCNC(=O)CC[NH+](C)C ZINC001437514911 891184794 /nfs/dbraw/zinc/18/47/94/891184794.db2.gz BUUDIDJFAOXSSG-VIFPVBQESA-N 2 1 287.364 -1.431 20 0 CAADMP C[C@H](C(=O)NC(N)=O)[N@H+](C)CCNC(=O)CC[NH+](C)C ZINC001437514905 891185081 /nfs/dbraw/zinc/18/50/81/891185081.db2.gz BUUDIDJFAOXSSG-SECBINFHSA-N 2 1 287.364 -1.431 20 0 CAADMP C[C@H](C(=O)NC(N)=O)[N@@H+](C)CCNC(=O)CC[NH+](C)C ZINC001437514905 891185089 /nfs/dbraw/zinc/18/50/89/891185089.db2.gz BUUDIDJFAOXSSG-SECBINFHSA-N 2 1 287.364 -1.431 20 0 CAADMP CNC(=O)[C@H](C)[NH2+]CCN(C)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001437831110 891191618 /nfs/dbraw/zinc/19/16/18/891191618.db2.gz PBOOOZUIHKNOPF-WDEREUQCSA-N 2 1 286.376 -1.501 20 0 CAADMP CNC(=O)[C@H](C)[NH2+]CCN(C)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001437831110 891191622 /nfs/dbraw/zinc/19/16/22/891191622.db2.gz PBOOOZUIHKNOPF-WDEREUQCSA-N 2 1 286.376 -1.501 20 0 CAADMP C[C@H]([NH2+]CCN(C)C(=O)[C@H]1CC[N@@H+](C)C1)C(=O)NC(N)=O ZINC001437851335 891195590 /nfs/dbraw/zinc/19/55/90/891195590.db2.gz XFVJOCFWRUHHBU-UWVGGRQHSA-N 2 1 299.375 -1.431 20 0 CAADMP CC[C@@H](CNC(=O)CC[NH+]1CCOCC1)[NH2+]CC(N)=O ZINC001438353281 891215273 /nfs/dbraw/zinc/21/52/73/891215273.db2.gz OUDIDOBRGXFSNL-NSHDSACASA-N 2 1 286.376 -1.322 20 0 CAADMP CC[C@H](CNC(=O)CC[NH+]1CCOCC1)[NH2+]CC(N)=O ZINC001438353278 891216020 /nfs/dbraw/zinc/21/60/20/891216020.db2.gz OUDIDOBRGXFSNL-LLVKDONJSA-N 2 1 286.376 -1.322 20 0 CAADMP C[N@@H+]1CCO[C@@H](C(=O)NCC2([NH2+]CC(N)=O)CCCC2)C1 ZINC001438585905 891224115 /nfs/dbraw/zinc/22/41/15/891224115.db2.gz AYLOFWJZDURJKH-LLVKDONJSA-N 2 1 298.387 -1.179 20 0 CAADMP C[N@H+]1CCO[C@@H](C(=O)NCC2([NH2+]CC(N)=O)CCCC2)C1 ZINC001438585905 891224132 /nfs/dbraw/zinc/22/41/32/891224132.db2.gz AYLOFWJZDURJKH-LLVKDONJSA-N 2 1 298.387 -1.179 20 0 CAADMP C[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H](O)C[NH2+]CC(N)=O ZINC001438997956 891258439 /nfs/dbraw/zinc/25/84/39/891258439.db2.gz IJQVWIYBPGQZNY-VHSXEESVSA-N 2 1 272.349 -1.977 20 0 CAADMP C[N@@H+]1CC[C@@H](C(=O)NC[C@H](O)C[NH2+]Cc2cnon2)C1 ZINC001439041547 891273410 /nfs/dbraw/zinc/27/34/10/891273410.db2.gz GJUDXQZGOVTKFR-MWLCHTKSSA-N 2 1 283.332 -1.412 20 0 CAADMP C[N@H+]1CC[C@@H](C(=O)NC[C@H](O)C[NH2+]Cc2cnon2)C1 ZINC001439041547 891273424 /nfs/dbraw/zinc/27/34/24/891273424.db2.gz GJUDXQZGOVTKFR-MWLCHTKSSA-N 2 1 283.332 -1.412 20 0 CAADMP CNC(=O)[C@@H](C)[NH2+]C[C@H](O)CNC(=O)Cn1cc[nH+]c1C ZINC001439061848 891278198 /nfs/dbraw/zinc/27/81/98/891278198.db2.gz SLTBIQNXSQKWCB-KOLCDFICSA-N 2 1 297.359 -1.607 20 0 CAADMP CC(C)[N@@H+](C)CC(=O)NC[C@@H](O)C[NH2+][C@@H](C)C(N)=O ZINC001439060557 891280460 /nfs/dbraw/zinc/28/04/60/891280460.db2.gz UZPGNIYJMMLCTR-UWVGGRQHSA-N 2 1 274.365 -1.733 20 0 CAADMP C[C@H](C[NH2+]CC(=O)NC(N)=O)NC(=O)C[N@@H+](C)C1CCC1 ZINC001439121559 891284990 /nfs/dbraw/zinc/28/49/90/891284990.db2.gz YAVOHTAZLKGNCI-SECBINFHSA-N 2 1 299.375 -1.240 20 0 CAADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@H](C)C[NH2+]CC(=O)NC)C1 ZINC001439180479 891286880 /nfs/dbraw/zinc/28/68/80/891286880.db2.gz FQEXZUDEALKUGY-MNOVXSKESA-N 2 1 286.376 -1.453 20 0 CAADMP CC[N@H+]1CCO[C@H](C(=O)N[C@H](C)C[NH2+]CC(=O)NC)C1 ZINC001439180479 891286892 /nfs/dbraw/zinc/28/68/92/891286892.db2.gz FQEXZUDEALKUGY-MNOVXSKESA-N 2 1 286.376 -1.453 20 0 CAADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@H](C)C[NH2+]CC(=O)NC)C1 ZINC001439180477 891288707 /nfs/dbraw/zinc/28/87/07/891288707.db2.gz FQEXZUDEALKUGY-GHMZBOCLSA-N 2 1 286.376 -1.453 20 0 CAADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@H](C)C[NH2+]CC(=O)NC)C1 ZINC001439180477 891288725 /nfs/dbraw/zinc/28/87/25/891288725.db2.gz FQEXZUDEALKUGY-GHMZBOCLSA-N 2 1 286.376 -1.453 20 0 CAADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H](C)C[NH2+]CC(N)=O)C1 ZINC001439292910 891298188 /nfs/dbraw/zinc/29/81/88/891298188.db2.gz IYMVUPDSLGEMOQ-UWVGGRQHSA-N 2 1 272.349 -1.713 20 0 CAADMP CC[N@H+]1CCO[C@H](C(=O)N[C@@H](C)C[NH2+]CC(N)=O)C1 ZINC001439292910 891298203 /nfs/dbraw/zinc/29/82/03/891298203.db2.gz IYMVUPDSLGEMOQ-UWVGGRQHSA-N 2 1 272.349 -1.713 20 0 CAADMP C[N@H+]1CC[C@H](C(=O)N[C@@]2(CO)CCC[NH+](CCO)C2)C1 ZINC001440186136 891358778 /nfs/dbraw/zinc/35/87/78/891358778.db2.gz BBHNQSQBURLUQG-JSGCOSHPSA-N 2 1 285.388 -1.127 20 0 CAADMP C[NH+]1CC[C@H](C(=O)N[C@@]2(CO)CCC[N@H+](CCO)C2)C1 ZINC001440186136 891358793 /nfs/dbraw/zinc/35/87/93/891358793.db2.gz BBHNQSQBURLUQG-JSGCOSHPSA-N 2 1 285.388 -1.127 20 0 CAADMP C[NH+]1CC[C@H](C(=O)N[C@@]2(CO)CCC[N@@H+](CCO)C2)C1 ZINC001440186136 891358802 /nfs/dbraw/zinc/35/88/02/891358802.db2.gz BBHNQSQBURLUQG-JSGCOSHPSA-N 2 1 285.388 -1.127 20 0 CAADMP CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)CCO1 ZINC001440375747 891369232 /nfs/dbraw/zinc/36/92/32/891369232.db2.gz MSFYEIBYPNYQSP-VXGBXAGGSA-N 2 1 298.387 -1.356 20 0 CAADMP CNC(=O)C[NH2+]C[C@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)CCO1 ZINC001440375744 891370872 /nfs/dbraw/zinc/37/08/72/891370872.db2.gz MSFYEIBYPNYQSP-RYUDHWBXSA-N 2 1 298.387 -1.356 20 0 CAADMP C[N@H+]1CC[C@H](CC(=O)N2CCO[C@@H](C[NH2+]CC(N)=O)C2)C1 ZINC001440378729 891371042 /nfs/dbraw/zinc/37/10/42/891371042.db2.gz VAHPJYFJRAPBIW-NEPJUHHUSA-N 2 1 298.387 -1.370 20 0 CAADMP C[N@H+]1CC[C@@H](CC(=O)N2CCO[C@@H](C[NH2+]CC(N)=O)C2)C1 ZINC001440378732 891372069 /nfs/dbraw/zinc/37/20/69/891372069.db2.gz VAHPJYFJRAPBIW-RYUDHWBXSA-N 2 1 298.387 -1.370 20 0 CAADMP C[N@H+]1CC[C@@H](C(=O)N2CCC[C@@](CO)([NH2+]CC(N)=O)C2)C1 ZINC001440554581 891375215 /nfs/dbraw/zinc/37/52/15/891375215.db2.gz NEEMZRKFAJMHDR-BXUZGUMPSA-N 2 1 298.387 -1.634 20 0 CAADMP C[C@H](CN(C)C(=O)[C@H]1CC[N@@H+](C)C1)[NH2+]CC(=O)NC(N)=O ZINC001441661077 891422725 /nfs/dbraw/zinc/42/27/25/891422725.db2.gz SKCKUPYARDICSN-ZJUUUORDSA-N 2 1 299.375 -1.431 20 0 CAADMP C[C@H](CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1)[NH2+]CC(=O)NC(N)=O ZINC001441661069 891423071 /nfs/dbraw/zinc/42/30/71/891423071.db2.gz SKCKUPYARDICSN-NXEZZACHSA-N 2 1 299.375 -1.431 20 0 CAADMP CNC(=O)C[NH2+][C@H](CO)CNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001441746223 891445041 /nfs/dbraw/zinc/44/50/41/891445041.db2.gz CUYRJUXSQJYKJP-MNOVXSKESA-N 2 1 286.376 -1.859 20 0 CAADMP CNC(=O)C[NH2+][C@H](CO)CNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001441746223 891445047 /nfs/dbraw/zinc/44/50/47/891445047.db2.gz CUYRJUXSQJYKJP-MNOVXSKESA-N 2 1 286.376 -1.859 20 0 CAADMP CNC(=O)C[NH2+][C@H](CO)CNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001441746224 891445294 /nfs/dbraw/zinc/44/52/94/891445294.db2.gz CUYRJUXSQJYKJP-QWRGUYRKSA-N 2 1 286.376 -1.859 20 0 CAADMP CNC(=O)C[NH2+][C@H](CO)CNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001441746224 891445299 /nfs/dbraw/zinc/44/52/99/891445299.db2.gz CUYRJUXSQJYKJP-QWRGUYRKSA-N 2 1 286.376 -1.859 20 0 CAADMP C[C@@H](CNC(=O)[C@@H]1CCC[N@H+]1C)[NH2+]CC(=O)NC(N)=O ZINC001441795618 891454327 /nfs/dbraw/zinc/45/43/27/891454327.db2.gz XAPDEZQJJBADRO-IUCAKERBSA-N 2 1 285.348 -1.630 20 0 CAADMP C[C@@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)[NH2+]CC(=O)N(C)C ZINC001441797877 891454717 /nfs/dbraw/zinc/45/47/17/891454717.db2.gz YQNOKVMODVFCNS-QWRGUYRKSA-N 2 1 286.376 -1.501 20 0 CAADMP C[C@@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)[NH2+]CC(=O)N(C)C ZINC001441797877 891454724 /nfs/dbraw/zinc/45/47/24/891454724.db2.gz YQNOKVMODVFCNS-QWRGUYRKSA-N 2 1 286.376 -1.501 20 0 CAADMP C[C@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)[NH2+]CC(=O)N(C)C ZINC001441797851 891455711 /nfs/dbraw/zinc/45/57/11/891455711.db2.gz YQNOKVMODVFCNS-GHMZBOCLSA-N 2 1 286.376 -1.501 20 0 CAADMP C[C@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)[NH2+]CC(=O)N(C)C ZINC001441797851 891455719 /nfs/dbraw/zinc/45/57/19/891455719.db2.gz YQNOKVMODVFCNS-GHMZBOCLSA-N 2 1 286.376 -1.501 20 0 CAADMP C[C@@H](CNC(=O)[C@H]1CCCC[N@H+]1C)[NH2+]CC(=O)NC(N)=O ZINC001441852723 891458793 /nfs/dbraw/zinc/45/87/93/891458793.db2.gz LYDWDBTYLPDQTI-VHSXEESVSA-N 2 1 299.375 -1.240 20 0 CAADMP C[C@@H](CNC(=O)C[N@H+]1CC[C@@H](C)C1)[NH2+]CC(=O)NC(N)=O ZINC001441942488 891465786 /nfs/dbraw/zinc/46/57/86/891465786.db2.gz CJUROZJICNZOMF-ZJUUUORDSA-N 2 1 299.375 -1.383 20 0 CAADMP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@H](C)[NH2+]CC(=O)NC)C1 ZINC001442043502 891474794 /nfs/dbraw/zinc/47/47/94/891474794.db2.gz FIFSNWLCOAOUHR-WDEREUQCSA-N 2 1 286.376 -1.453 20 0 CAADMP CC[N@H+]1CCO[C@@H](C(=O)NC[C@H](C)[NH2+]CC(=O)NC)C1 ZINC001442043502 891474804 /nfs/dbraw/zinc/47/48/04/891474804.db2.gz FIFSNWLCOAOUHR-WDEREUQCSA-N 2 1 286.376 -1.453 20 0 CAADMP CC[N@@H+]1CCO[C@H](C(=O)NC[C@H](C)[NH2+]CC(=O)NC)C1 ZINC001442043497 891475108 /nfs/dbraw/zinc/47/51/08/891475108.db2.gz FIFSNWLCOAOUHR-QWRGUYRKSA-N 2 1 286.376 -1.453 20 0 CAADMP CC[N@H+]1CCO[C@H](C(=O)NC[C@H](C)[NH2+]CC(=O)NC)C1 ZINC001442043497 891475113 /nfs/dbraw/zinc/47/51/13/891475113.db2.gz FIFSNWLCOAOUHR-QWRGUYRKSA-N 2 1 286.376 -1.453 20 0 CAADMP CC[N@@H+](C)CCC(=O)NC[C@H](C)[NH2+]CC(=O)NC(N)=O ZINC001442010161 891476007 /nfs/dbraw/zinc/47/60/07/891476007.db2.gz PKYHQOPUNGOUOQ-VIFPVBQESA-N 2 1 287.364 -1.383 20 0 CAADMP CC[N@H+]1CCO[C@H](C(=O)NC[C@@H](C)[NH2+]CC(=O)NC)C1 ZINC001442043495 891476583 /nfs/dbraw/zinc/47/65/83/891476583.db2.gz FIFSNWLCOAOUHR-MNOVXSKESA-N 2 1 286.376 -1.453 20 0 CAADMP CC[N@@H+]1CCO[C@H](C(=O)NC[C@@H](C)[NH2+]CC(=O)NC)C1 ZINC001442043495 891476578 /nfs/dbraw/zinc/47/65/78/891476578.db2.gz FIFSNWLCOAOUHR-MNOVXSKESA-N 2 1 286.376 -1.453 20 0 CAADMP CCC[N@@H+](C)CC(=O)NC[C@H](C)[NH2+]CC(=O)NC(N)=O ZINC001442008609 891477270 /nfs/dbraw/zinc/47/72/70/891477270.db2.gz FFUAFCLZEUYFNK-VIFPVBQESA-N 2 1 287.364 -1.383 20 0 CAADMP C[NH+](C)CCC(=O)NCC[N@H+](C)CC(=O)NC(N)=O ZINC001442505816 891499544 /nfs/dbraw/zinc/49/95/44/891499544.db2.gz UKQJSJIIEAORHA-UHFFFAOYSA-N 2 1 273.337 -1.819 20 0 CAADMP C[NH+](C)CCC(=O)NCC[N@@H+](C)CC(=O)NC(N)=O ZINC001442505816 891499553 /nfs/dbraw/zinc/49/95/53/891499553.db2.gz UKQJSJIIEAORHA-UHFFFAOYSA-N 2 1 273.337 -1.819 20 0 CAADMP CC[N@@H+]1CCO[C@@H](C(=O)N(C)CC[NH2+][C@H]2CCNC2=O)C1 ZINC001443102731 891517717 /nfs/dbraw/zinc/51/77/17/891517717.db2.gz QFJLESPARBHOJV-NWDGAFQWSA-N 2 1 298.387 -1.356 20 0 CAADMP CC[N@H+]1CCO[C@@H](C(=O)N(C)CC[NH2+][C@H]2CCNC2=O)C1 ZINC001443102731 891517733 /nfs/dbraw/zinc/51/77/33/891517733.db2.gz QFJLESPARBHOJV-NWDGAFQWSA-N 2 1 298.387 -1.356 20 0 CAADMP CC[N@@H+]1CCO[C@@H](C(=O)N(C)CC[NH2+][C@@H]2CCNC2=O)C1 ZINC001443102735 891517874 /nfs/dbraw/zinc/51/78/74/891517874.db2.gz QFJLESPARBHOJV-VXGBXAGGSA-N 2 1 298.387 -1.356 20 0 CAADMP CC[N@H+]1CCO[C@@H](C(=O)N(C)CC[NH2+][C@@H]2CCNC2=O)C1 ZINC001443102735 891517887 /nfs/dbraw/zinc/51/78/87/891517887.db2.gz QFJLESPARBHOJV-VXGBXAGGSA-N 2 1 298.387 -1.356 20 0 CAADMP C[C@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)C[NH2+]CC(N)=O ZINC001444283874 891566523 /nfs/dbraw/zinc/56/65/23/891566523.db2.gz FOUVXYKWYLGKLJ-UWVGGRQHSA-N 2 1 272.349 -1.856 20 0 CAADMP C[C@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)C[NH2+]CC(N)=O ZINC001444283874 891566530 /nfs/dbraw/zinc/56/65/30/891566530.db2.gz FOUVXYKWYLGKLJ-UWVGGRQHSA-N 2 1 272.349 -1.856 20 0 CAADMP C[C@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)C[NH2+]CC(N)=O ZINC001444283881 891566644 /nfs/dbraw/zinc/56/66/44/891566644.db2.gz FOUVXYKWYLGKLJ-VHSXEESVSA-N 2 1 272.349 -1.856 20 0 CAADMP C[C@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)C[NH2+]CC(N)=O ZINC001444283881 891566651 /nfs/dbraw/zinc/56/66/51/891566651.db2.gz FOUVXYKWYLGKLJ-VHSXEESVSA-N 2 1 272.349 -1.856 20 0 CAADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H](O)C[NH2+]CC(N)=O)CC[N@H+]1C ZINC001445181549 891613784 /nfs/dbraw/zinc/61/37/84/891613784.db2.gz KMQMNMXNFXFHIV-GARJFASQSA-N 2 1 286.376 -1.731 20 0 CAADMP Cc1c[nH+]cn1CC(=O)NC[C@@H](O)C[NH2+]CC(=O)N(C)C ZINC001445212081 891618170 /nfs/dbraw/zinc/61/81/70/891618170.db2.gz NYQLHHLEXLWPHS-NSHDSACASA-N 2 1 297.359 -1.654 20 0 CAADMP CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001445273811 891623757 /nfs/dbraw/zinc/62/37/57/891623757.db2.gz RELCYWSBIKYRIR-WDEREUQCSA-N 2 1 286.376 -1.859 20 0 CAADMP CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001445273803 891625758 /nfs/dbraw/zinc/62/57/58/891625758.db2.gz RELCYWSBIKYRIR-MNOVXSKESA-N 2 1 286.376 -1.859 20 0 CAADMP COC[C@@H](O)C[NH2+]C[C@@H](C)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001445370017 891632230 /nfs/dbraw/zinc/63/22/30/891632230.db2.gz DRCQFEWMPKGGKG-GRYCIOLGSA-N 2 1 289.376 -1.581 20 0 CAADMP COC[C@@H](O)C[NH2+]C[C@@H](C)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001445370017 891632236 /nfs/dbraw/zinc/63/22/36/891632236.db2.gz DRCQFEWMPKGGKG-GRYCIOLGSA-N 2 1 289.376 -1.581 20 0 CAADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@H](C[NH2+]CC(N)=O)C2CC2)C1 ZINC001445992275 891660018 /nfs/dbraw/zinc/66/00/18/891660018.db2.gz ZICZTLNVFGIEIQ-NEPJUHHUSA-N 2 1 298.387 -1.323 20 0 CAADMP CC[N@H+]1CCO[C@H](C(=O)N[C@H](C[NH2+]CC(N)=O)C2CC2)C1 ZINC001445992275 891660024 /nfs/dbraw/zinc/66/00/24/891660024.db2.gz ZICZTLNVFGIEIQ-NEPJUHHUSA-N 2 1 298.387 -1.323 20 0 CAADMP CNC(=O)C[NH2+]C1(CNC(=O)CC[NH+]2CCOCC2)CC1 ZINC001446259252 891669879 /nfs/dbraw/zinc/66/98/79/891669879.db2.gz FGPYKQIQRAUQNI-UHFFFAOYSA-N 2 1 298.387 -1.307 20 0 CAADMP CC[N@@H+]1CCO[C@H](C(=O)NCC2([NH2+]CCO)CC2)C1 ZINC001446301620 891671696 /nfs/dbraw/zinc/67/16/96/891671696.db2.gz UUCCKOQLMRWFLT-NSHDSACASA-N 2 1 271.361 -1.062 20 0 CAADMP CC[N@H+]1CCO[C@H](C(=O)NCC2([NH2+]CCO)CC2)C1 ZINC001446301620 891671702 /nfs/dbraw/zinc/67/17/02/891671702.db2.gz UUCCKOQLMRWFLT-NSHDSACASA-N 2 1 271.361 -1.062 20 0 CAADMP CC[N@@H+]1CCO[C@H](C(=O)NCC2([NH2+]CC(=O)NC)CC2)C1 ZINC001446300434 891672511 /nfs/dbraw/zinc/67/25/11/891672511.db2.gz STXLMQUUBBUQAZ-NSHDSACASA-N 2 1 298.387 -1.309 20 0 CAADMP CC[N@H+]1CCO[C@H](C(=O)NCC2([NH2+]CC(=O)NC)CC2)C1 ZINC001446300434 891672515 /nfs/dbraw/zinc/67/25/15/891672515.db2.gz STXLMQUUBBUQAZ-NSHDSACASA-N 2 1 298.387 -1.309 20 0 CAADMP C[N@@H+]1CCO[C@H](C(=O)N2CC[C@](C)(C[NH2+]CC(N)=O)C2)C1 ZINC001446586883 891682127 /nfs/dbraw/zinc/68/21/27/891682127.db2.gz RSAKFDMIZACEPR-SMDDNHRTSA-N 2 1 298.387 -1.370 20 0 CAADMP C[N@H+]1CCO[C@H](C(=O)N2CC[C@](C)(C[NH2+]CC(N)=O)C2)C1 ZINC001446586883 891682133 /nfs/dbraw/zinc/68/21/33/891682133.db2.gz RSAKFDMIZACEPR-SMDDNHRTSA-N 2 1 298.387 -1.370 20 0 CAADMP CC[N@@H+](C)CCC(=O)NC[C@]1(O)CC[NH+](CCO)C1 ZINC001446811573 891692411 /nfs/dbraw/zinc/69/24/11/891692411.db2.gz YUQVJWDUWZWBQK-CYBMUJFWSA-N 2 1 273.377 -1.127 20 0 CAADMP CC[NH+](C)CCC(=O)NC[C@]1(O)CC[N@H+](CCO)C1 ZINC001446811573 891692426 /nfs/dbraw/zinc/69/24/26/891692426.db2.gz YUQVJWDUWZWBQK-CYBMUJFWSA-N 2 1 273.377 -1.127 20 0 CAADMP CC[NH+](C)CCC(=O)NC[C@]1(O)CC[N@@H+](CCO)C1 ZINC001446811573 891692434 /nfs/dbraw/zinc/69/24/34/891692434.db2.gz YUQVJWDUWZWBQK-CYBMUJFWSA-N 2 1 273.377 -1.127 20 0 CAADMP C[N@@H+](CC(=O)N1CCO[C@@H](C[NH2+]CC(N)=O)C1)C1CCC1 ZINC001447288756 891721355 /nfs/dbraw/zinc/72/13/55/891721355.db2.gz RFYPSZYIHMPTFK-LBPRGKRZSA-N 2 1 298.387 -1.227 20 0 CAADMP C[N@H+]1CCC[C@H]1CCC(=O)NC[C@@H](CO)[NH2+]CC(N)=O ZINC001448860871 891794595 /nfs/dbraw/zinc/79/45/95/891794595.db2.gz FAQNBYAZXZSQGM-QWRGUYRKSA-N 2 1 286.376 -1.587 20 0 CAADMP C[N@H+]1CCC[C@@H]1CCC(=O)NC[C@H](CO)[NH2+]CC(N)=O ZINC001448860837 891794930 /nfs/dbraw/zinc/79/49/30/891794930.db2.gz FAQNBYAZXZSQGM-GHMZBOCLSA-N 2 1 286.376 -1.587 20 0 CAADMP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](CO)[NH2+]CC(N)=O ZINC001448846642 891796870 /nfs/dbraw/zinc/79/68/70/891796870.db2.gz SBRFOGWFGFEZAQ-WDEREUQCSA-N 2 1 286.376 -1.589 20 0 CAADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](CO)[NH2+]CC(N)=O ZINC001448846642 891796877 /nfs/dbraw/zinc/79/68/77/891796877.db2.gz SBRFOGWFGFEZAQ-WDEREUQCSA-N 2 1 286.376 -1.589 20 0 CAADMP Cn1nncc1C[NH2+][C@@H](CO)CNC(=O)CC[NH+](C)C ZINC001448889864 891802795 /nfs/dbraw/zinc/80/27/95/891802795.db2.gz OXIDZOVLAVMYLZ-SNVBAGLBSA-N 2 1 284.364 -1.667 20 0 CAADMP Cn1nncc1C[NH2+][C@H](CO)CNC(=O)CC[NH+](C)C ZINC001448889861 891804493 /nfs/dbraw/zinc/80/44/93/891804493.db2.gz OXIDZOVLAVMYLZ-JTQLQIEISA-N 2 1 284.364 -1.667 20 0 CAADMP CC[N@@H+]1CCO[C@H](C(=O)NC[C@@H](CO)[NH2+]CCO)C1 ZINC001448949595 891816998 /nfs/dbraw/zinc/81/69/98/891816998.db2.gz IXTNSVJRUPEBIX-QWRGUYRKSA-N 2 1 275.349 -2.234 20 0 CAADMP CC[N@H+]1CCO[C@H](C(=O)NC[C@@H](CO)[NH2+]CCO)C1 ZINC001448949595 891817014 /nfs/dbraw/zinc/81/70/14/891817014.db2.gz IXTNSVJRUPEBIX-QWRGUYRKSA-N 2 1 275.349 -2.234 20 0 CAADMP C[C@@H]1CC[N@@H+](CC(=O)N(C)C[C@H](O)C[NH2+]CC(N)=O)C1 ZINC001449163355 891839272 /nfs/dbraw/zinc/83/92/72/891839272.db2.gz UNHZZTSHSDRMSW-GHMZBOCLSA-N 2 1 286.376 -1.778 20 0 CAADMP CC(C)[N@@H+](C)CC(=O)N(C)C[C@@H](O)C[NH2+][C@@H](C)C(N)=O ZINC001449201959 891841120 /nfs/dbraw/zinc/84/11/20/891841120.db2.gz ZMOMGBLWKXTBFE-QWRGUYRKSA-N 2 1 288.392 -1.391 20 0 CAADMP CNC(=O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)CC[NH+](C)C ZINC001449219436 891841409 /nfs/dbraw/zinc/84/14/09/891841409.db2.gz SZIVIMHRDLNEOG-LLVKDONJSA-N 2 1 288.392 -1.565 20 0 CAADMP CNC(=O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)CC[NH+](C)C ZINC001449219436 891841419 /nfs/dbraw/zinc/84/14/19/891841419.db2.gz SZIVIMHRDLNEOG-LLVKDONJSA-N 2 1 288.392 -1.565 20 0 CAADMP CNC(=O)C[N@H+](C)C[C@H](O)CN(C)C(=O)CC[NH+](C)C ZINC001449219437 891841544 /nfs/dbraw/zinc/84/15/44/891841544.db2.gz SZIVIMHRDLNEOG-NSHDSACASA-N 2 1 288.392 -1.565 20 0 CAADMP CNC(=O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)CC[NH+](C)C ZINC001449219437 891841555 /nfs/dbraw/zinc/84/15/55/891841555.db2.gz SZIVIMHRDLNEOG-NSHDSACASA-N 2 1 288.392 -1.565 20 0 CAADMP CC(C)[N@H+](C)CC(=O)N(C)C[C@H](O)C[NH+](C)CC(N)=O ZINC001449230617 891842149 /nfs/dbraw/zinc/84/21/49/891842149.db2.gz DNMSHSBZWOUEDW-LLVKDONJSA-N 2 1 288.392 -1.437 20 0 CAADMP CC(C)[N@@H+](C)CC(=O)N(C)C[C@H](O)C[NH+](C)CC(N)=O ZINC001449230617 891842158 /nfs/dbraw/zinc/84/21/58/891842158.db2.gz DNMSHSBZWOUEDW-LLVKDONJSA-N 2 1 288.392 -1.437 20 0 CAADMP CC(C)[NH+](C)CC(=O)N(C)C[C@H](O)C[N@H+](C)CC(N)=O ZINC001449230617 891842166 /nfs/dbraw/zinc/84/21/66/891842166.db2.gz DNMSHSBZWOUEDW-LLVKDONJSA-N 2 1 288.392 -1.437 20 0 CAADMP CC(C)[NH+](C)CC(=O)N(C)C[C@H](O)C[N@@H+](C)CC(N)=O ZINC001449230617 891842182 /nfs/dbraw/zinc/84/21/82/891842182.db2.gz DNMSHSBZWOUEDW-LLVKDONJSA-N 2 1 288.392 -1.437 20 0 CAADMP CC(C)[N@@H+](C)CC(=O)N(C)C[C@H](O)C[NH2+][C@H](C)C(N)=O ZINC001449201954 891845437 /nfs/dbraw/zinc/84/54/37/891845437.db2.gz ZMOMGBLWKXTBFE-GHMZBOCLSA-N 2 1 288.392 -1.391 20 0 CAADMP C[N@@H+]1C[C@@H](O)C[C@]1(C)C(=O)N1CC([NH2+]C2COC2)C1 ZINC001456528811 892080622 /nfs/dbraw/zinc/08/06/22/892080622.db2.gz ZWAHJJYJPYYAIZ-WCQYABFASA-N 2 1 269.345 -1.359 20 0 CAADMP C[N@H+]1C[C@@H](O)C[C@]1(C)C(=O)N1CC([NH2+]C2COC2)C1 ZINC001456528811 892080640 /nfs/dbraw/zinc/08/06/40/892080640.db2.gz ZWAHJJYJPYYAIZ-WCQYABFASA-N 2 1 269.345 -1.359 20 0 CAADMP Cn1cncc1[C@@H]1C[C@H]1C(=O)NC[C@@]1(CO)COCC[NH2+]1 ZINC001471177745 892347450 /nfs/dbraw/zinc/34/74/50/892347450.db2.gz GSFLXRRQJBLDGM-JTNHKYCSSA-N 2 1 294.355 -1.009 20 0 CAADMP C[N@H+](CCO)CCCNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001479764132 892483936 /nfs/dbraw/zinc/48/39/36/892483936.db2.gz QIWBCPJISRINGX-LLVKDONJSA-N 2 1 259.350 -1.253 20 0 CAADMP C[N@@H+](CCO)CCCNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001479764132 892483945 /nfs/dbraw/zinc/48/39/45/892483945.db2.gz QIWBCPJISRINGX-LLVKDONJSA-N 2 1 259.350 -1.253 20 0 CAADMP C[NH+](CCO)CCCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001479764132 892483951 /nfs/dbraw/zinc/48/39/51/892483951.db2.gz QIWBCPJISRINGX-LLVKDONJSA-N 2 1 259.350 -1.253 20 0 CAADMP C[NH+](CCO)CCCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001479764132 892483960 /nfs/dbraw/zinc/48/39/60/892483960.db2.gz QIWBCPJISRINGX-LLVKDONJSA-N 2 1 259.350 -1.253 20 0 CAADMP C[N@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]CC(=O)NC(N)=O)C2)C1 ZINC001480170873 892503912 /nfs/dbraw/zinc/50/39/12/892503912.db2.gz GUUXTKHBMRDXAH-OPRDCNLKSA-N 2 1 297.359 -1.630 20 0 CAADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]CC(=O)NC)C2)C1 ZINC001480238303 892506307 /nfs/dbraw/zinc/50/63/07/892506307.db2.gz KDSGMBJRPFVUKK-GRYCIOLGSA-N 2 1 298.387 -1.310 20 0 CAADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]CC(=O)NC)C2)C1 ZINC001480238303 892506327 /nfs/dbraw/zinc/50/63/27/892506327.db2.gz KDSGMBJRPFVUKK-GRYCIOLGSA-N 2 1 298.387 -1.310 20 0 CAADMP Cn1nnnc1C[NH2+][C@H]1C[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001480220144 892508248 /nfs/dbraw/zinc/50/82/48/892508248.db2.gz JCSAFZPDCLWOIX-AOOOYVTPSA-N 2 1 281.364 -1.101 20 0 CAADMP CCC[N@@H+](C)CC(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001480234149 892508482 /nfs/dbraw/zinc/50/84/82/892508482.db2.gz XLSHZFKRCFUEFP-AOOOYVTPSA-N 2 1 299.375 -1.240 20 0 CAADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]CC(=O)NC)C2)C1 ZINC001480238320 892508936 /nfs/dbraw/zinc/50/89/36/892508936.db2.gz KDSGMBJRPFVUKK-TUAOUCFPSA-N 2 1 298.387 -1.310 20 0 CAADMP CC[N@H+]1CCO[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]CC(=O)NC)C2)C1 ZINC001480238320 892508946 /nfs/dbraw/zinc/50/89/46/892508946.db2.gz KDSGMBJRPFVUKK-TUAOUCFPSA-N 2 1 298.387 -1.310 20 0 CAADMP CNC(=O)NC(=O)C[NH2+][C@H](C)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001480436843 892514194 /nfs/dbraw/zinc/51/41/94/892514194.db2.gz YNSNQLZQMHBVRK-ZJUUUORDSA-N 2 1 299.375 -1.370 20 0 CAADMP NC(=O)C[NH2+]C[C@@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001480668915 892541422 /nfs/dbraw/zinc/54/14/22/892541422.db2.gz CUZZPESEBXKXJK-LBPRGKRZSA-N 2 1 298.387 -1.368 20 0 CAADMP C[N@@H+]1CCO[C@H](C(=O)N2CC[C@H](C[NH2+]CCO)C2)C1 ZINC001480640302 892541603 /nfs/dbraw/zinc/54/16/03/892541603.db2.gz YRFPJAZNIOUGIU-NEPJUHHUSA-N 2 1 271.361 -1.253 20 0 CAADMP C[N@H+]1CCO[C@H](C(=O)N2CC[C@H](C[NH2+]CCO)C2)C1 ZINC001480640302 892541620 /nfs/dbraw/zinc/54/16/20/892541620.db2.gz YRFPJAZNIOUGIU-NEPJUHHUSA-N 2 1 271.361 -1.253 20 0 CAADMP C[N@@H+]1CCO[C@@H](C(=O)N2CC[C@@H](C[NH2+]CCO)C2)C1 ZINC001480640306 892541780 /nfs/dbraw/zinc/54/17/80/892541780.db2.gz YRFPJAZNIOUGIU-NWDGAFQWSA-N 2 1 271.361 -1.253 20 0 CAADMP C[N@H+]1CCO[C@@H](C(=O)N2CC[C@@H](C[NH2+]CCO)C2)C1 ZINC001480640306 892541790 /nfs/dbraw/zinc/54/17/90/892541790.db2.gz YRFPJAZNIOUGIU-NWDGAFQWSA-N 2 1 271.361 -1.253 20 0 CAADMP C[C@H](CCNC(=O)[C@@H]1C[N@H+](C)CCO1)[NH2+]CCO ZINC001480756854 892544004 /nfs/dbraw/zinc/54/40/04/892544004.db2.gz BVMKGGHGCSTTKB-MNOVXSKESA-N 2 1 259.350 -1.206 20 0 CAADMP C[C@H](CCNC(=O)[C@@H]1C[N@@H+](C)CCO1)[NH2+]CCO ZINC001480756854 892544009 /nfs/dbraw/zinc/54/40/09/892544009.db2.gz BVMKGGHGCSTTKB-MNOVXSKESA-N 2 1 259.350 -1.206 20 0 CAADMP C[C@H](CCNC(=O)[C@H]1C[N@H+](C)CCO1)[NH2+]CCO ZINC001480756852 892546118 /nfs/dbraw/zinc/54/61/18/892546118.db2.gz BVMKGGHGCSTTKB-GHMZBOCLSA-N 2 1 259.350 -1.206 20 0 CAADMP C[C@H](CCNC(=O)[C@H]1C[N@@H+](C)CCO1)[NH2+]CCO ZINC001480756852 892546124 /nfs/dbraw/zinc/54/61/24/892546124.db2.gz BVMKGGHGCSTTKB-GHMZBOCLSA-N 2 1 259.350 -1.206 20 0 CAADMP C[NH+](C)CCCC(=O)NCC[N@H+](C)CC(=O)NC(N)=O ZINC001480908453 892558885 /nfs/dbraw/zinc/55/88/85/892558885.db2.gz VWSDZNAHMUTIGG-UHFFFAOYSA-N 2 1 287.364 -1.429 20 0 CAADMP C[NH+](C)CCCC(=O)NCC[N@@H+](C)CC(=O)NC(N)=O ZINC001480908453 892558896 /nfs/dbraw/zinc/55/88/96/892558896.db2.gz VWSDZNAHMUTIGG-UHFFFAOYSA-N 2 1 287.364 -1.429 20 0 CAADMP C[N@H+](CCNC(=O)[C@@H]1CC[NH+](C)C1)[C@@H]1CCNC1=O ZINC001480946355 892561971 /nfs/dbraw/zinc/56/19/71/892561971.db2.gz PCXVIFFZQZKJQD-GHMZBOCLSA-N 2 1 268.361 -1.125 20 0 CAADMP C[N@@H+](CCNC(=O)[C@@H]1CC[NH+](C)C1)[C@@H]1CCNC1=O ZINC001480946355 892561977 /nfs/dbraw/zinc/56/19/77/892561977.db2.gz PCXVIFFZQZKJQD-GHMZBOCLSA-N 2 1 268.361 -1.125 20 0 CAADMP C[NH+](CCNC(=O)[C@@H]1CC[N@H+](C)C1)[C@@H]1CCNC1=O ZINC001480946355 892561990 /nfs/dbraw/zinc/56/19/90/892561990.db2.gz PCXVIFFZQZKJQD-GHMZBOCLSA-N 2 1 268.361 -1.125 20 0 CAADMP C[NH+](CCNC(=O)[C@@H]1CC[N@@H+](C)C1)[C@@H]1CCNC1=O ZINC001480946355 892562003 /nfs/dbraw/zinc/56/20/03/892562003.db2.gz PCXVIFFZQZKJQD-GHMZBOCLSA-N 2 1 268.361 -1.125 20 0 CAADMP C[N@H+](CCNC(=O)[C@H]1CC[NH+](C)C1)[C@@H]1CCNC1=O ZINC001480946358 892564329 /nfs/dbraw/zinc/56/43/29/892564329.db2.gz PCXVIFFZQZKJQD-WDEREUQCSA-N 2 1 268.361 -1.125 20 0 CAADMP C[N@@H+](CCNC(=O)[C@H]1CC[NH+](C)C1)[C@@H]1CCNC1=O ZINC001480946358 892564335 /nfs/dbraw/zinc/56/43/35/892564335.db2.gz PCXVIFFZQZKJQD-WDEREUQCSA-N 2 1 268.361 -1.125 20 0 CAADMP C[NH+](CCNC(=O)[C@H]1CC[N@H+](C)C1)[C@@H]1CCNC1=O ZINC001480946358 892564339 /nfs/dbraw/zinc/56/43/39/892564339.db2.gz PCXVIFFZQZKJQD-WDEREUQCSA-N 2 1 268.361 -1.125 20 0 CAADMP C[NH+](CCNC(=O)[C@H]1CC[N@@H+](C)C1)[C@@H]1CCNC1=O ZINC001480946358 892564346 /nfs/dbraw/zinc/56/43/46/892564346.db2.gz PCXVIFFZQZKJQD-WDEREUQCSA-N 2 1 268.361 -1.125 20 0 CAADMP CN(CC[NH2+][C@H]1CCCNC1=O)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001481217697 892585497 /nfs/dbraw/zinc/58/54/97/892585497.db2.gz QECOAHSFPUKKBU-RYUDHWBXSA-N 2 1 298.387 -1.356 20 0 CAADMP CN(CC[NH2+][C@H]1CCCNC1=O)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001481217697 892585501 /nfs/dbraw/zinc/58/55/01/892585501.db2.gz QECOAHSFPUKKBU-RYUDHWBXSA-N 2 1 298.387 -1.356 20 0 CAADMP CC[C@H]([NH2+]CCN(C)C(=O)[C@H]1C[N@H+](C)CCO1)C(N)=O ZINC001481217229 892585786 /nfs/dbraw/zinc/58/57/86/892585786.db2.gz GJYNSAZPZYPEEV-WDEREUQCSA-N 2 1 286.376 -1.371 20 0 CAADMP CC[C@H]([NH2+]CCN(C)C(=O)[C@H]1C[N@@H+](C)CCO1)C(N)=O ZINC001481217229 892585791 /nfs/dbraw/zinc/58/57/91/892585791.db2.gz GJYNSAZPZYPEEV-WDEREUQCSA-N 2 1 286.376 -1.371 20 0 CAADMP CN(CC[NH2+]CCOCCO)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001481217926 892586280 /nfs/dbraw/zinc/58/62/80/892586280.db2.gz VLRAPLZICGPMNK-LBPRGKRZSA-N 2 1 289.376 -1.626 20 0 CAADMP CN(CC[NH2+]CCOCCO)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001481217926 892586291 /nfs/dbraw/zinc/58/62/91/892586291.db2.gz VLRAPLZICGPMNK-LBPRGKRZSA-N 2 1 289.376 -1.626 20 0 CAADMP CNC(=O)C[NH2+]CCN(C)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001481217107 892587429 /nfs/dbraw/zinc/58/74/29/892587429.db2.gz BVNFQNMMRWMUOC-SNVBAGLBSA-N 2 1 272.349 -1.889 20 0 CAADMP CNC(=O)C[NH2+]CCN(C)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001481217107 892587435 /nfs/dbraw/zinc/58/74/35/892587435.db2.gz BVNFQNMMRWMUOC-SNVBAGLBSA-N 2 1 272.349 -1.889 20 0 CAADMP CN(CC[NH2+][C@@H]1CCCNC1=O)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001481217698 892587678 /nfs/dbraw/zinc/58/76/78/892587678.db2.gz QECOAHSFPUKKBU-VXGBXAGGSA-N 2 1 298.387 -1.356 20 0 CAADMP CN(CC[NH2+][C@@H]1CCCNC1=O)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001481217698 892587688 /nfs/dbraw/zinc/58/76/88/892587688.db2.gz QECOAHSFPUKKBU-VXGBXAGGSA-N 2 1 298.387 -1.356 20 0 CAADMP CCC[N@@H+](C)CC(=O)N(C)CC[NH2+]CC(=O)NC(N)=O ZINC001481306219 892598276 /nfs/dbraw/zinc/59/82/76/892598276.db2.gz IFFGKHCPVPKNOJ-UHFFFAOYSA-N 2 1 287.364 -1.429 20 0 CAADMP CC(C)[C@@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)[NH2+]CC(N)=O ZINC001482521008 892650000 /nfs/dbraw/zinc/65/00/00/892650000.db2.gz SDQYRVYXINHOFD-GHMZBOCLSA-N 2 1 286.376 -1.467 20 0 CAADMP CC(C)[C@@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)[NH2+]CC(N)=O ZINC001482521008 892650009 /nfs/dbraw/zinc/65/00/09/892650009.db2.gz SDQYRVYXINHOFD-GHMZBOCLSA-N 2 1 286.376 -1.467 20 0 CAADMP C[N@@H+]1CCO[C@H](C(=O)NC[C@@H](O)C[NH2+]CCF)C1 ZINC001482719521 892669685 /nfs/dbraw/zinc/66/96/85/892669685.db2.gz XFIMMLRGFPCUEJ-UWVGGRQHSA-N 2 1 263.313 -1.647 20 0 CAADMP C[N@H+]1CCO[C@H](C(=O)NC[C@@H](O)C[NH2+]CCF)C1 ZINC001482719521 892669689 /nfs/dbraw/zinc/66/96/89/892669689.db2.gz XFIMMLRGFPCUEJ-UWVGGRQHSA-N 2 1 263.313 -1.647 20 0 CAADMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](O)C[NH2+]CC(N)=O ZINC001482715695 892670461 /nfs/dbraw/zinc/67/04/61/892670461.db2.gz ILDKKCROPDDYMQ-DTWKUNHWSA-N 2 1 258.322 -2.367 20 0 CAADMP C[N@@H+]1CCO[C@@H](C(=O)NC[C@@H](O)C[NH2+]CCF)C1 ZINC001482719522 892671273 /nfs/dbraw/zinc/67/12/73/892671273.db2.gz XFIMMLRGFPCUEJ-VHSXEESVSA-N 2 1 263.313 -1.647 20 0 CAADMP C[N@H+]1CCO[C@@H](C(=O)NC[C@@H](O)C[NH2+]CCF)C1 ZINC001482719522 892671285 /nfs/dbraw/zinc/67/12/85/892671285.db2.gz XFIMMLRGFPCUEJ-VHSXEESVSA-N 2 1 263.313 -1.647 20 0 CAADMP C[N@H+]1CCC[C@H]1C(=O)NC[C@H](O)C[NH2+]CC(N)=O ZINC001482715694 892671489 /nfs/dbraw/zinc/67/14/89/892671489.db2.gz ILDKKCROPDDYMQ-BDAKNGLRSA-N 2 1 258.322 -2.367 20 0 CAADMP Cc1c[nH+]cn1CC(=O)NC[C@@H](O)C[NH2+][C@H](C)C(N)=O ZINC001482750685 892686289 /nfs/dbraw/zinc/68/62/89/892686289.db2.gz XYLUYAQGFJVPGQ-ZJUUUORDSA-N 2 1 283.332 -1.868 20 0 CAADMP Cc1c[nH+]cn1CC(=O)NC[C@H](O)C[NH2+][C@@H](C)C(N)=O ZINC001482750684 892686498 /nfs/dbraw/zinc/68/64/98/892686498.db2.gz XYLUYAQGFJVPGQ-VHSXEESVSA-N 2 1 283.332 -1.868 20 0 CAADMP C[N@H+]1CCCC[C@H]1C(=O)NC[C@H](O)C[NH2+]CCO ZINC001482758978 892688745 /nfs/dbraw/zinc/68/87/45/892688745.db2.gz NOEATWSGEUFBIA-MNOVXSKESA-N 2 1 259.350 -1.470 20 0 CAADMP C[N@H+]1CCCC[C@H]1C(=O)NC[C@@H](O)C[NH2+]CCO ZINC001482758979 892689221 /nfs/dbraw/zinc/68/92/21/892689221.db2.gz NOEATWSGEUFBIA-QWRGUYRKSA-N 2 1 259.350 -1.470 20 0 CAADMP C[C@@H]1CC[N@@H+](CC(=O)NC[C@@H](O)C[NH2+]CC(N)=O)C1 ZINC001482767486 892695181 /nfs/dbraw/zinc/69/51/81/892695181.db2.gz NNAUXWQSHDOCJA-ZJUUUORDSA-N 2 1 272.349 -2.120 20 0 CAADMP Cn1ccnc1C[NH2+]C[C@H](O)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001482790446 892704141 /nfs/dbraw/zinc/70/41/41/892704141.db2.gz CHPTUAOSNKUZAF-NEPJUHHUSA-N 2 1 295.387 -1.062 20 0 CAADMP Cn1ccnc1C[NH2+]C[C@H](O)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001482790448 892704311 /nfs/dbraw/zinc/70/43/11/892704311.db2.gz CHPTUAOSNKUZAF-RYUDHWBXSA-N 2 1 295.387 -1.062 20 0 CAADMP CNC(=O)C[NH2+]C[C@H](O)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001482791143 892704653 /nfs/dbraw/zinc/70/46/53/892704653.db2.gz QEDNKTPPSUMHGG-ZJUUUORDSA-N 2 1 272.349 -2.249 20 0 CAADMP CNC(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001482791140 892705106 /nfs/dbraw/zinc/70/51/06/892705106.db2.gz QEDNKTPPSUMHGG-NXEZZACHSA-N 2 1 272.349 -2.249 20 0 CAADMP O=C(NC[C@@H](O)C[NH2+]Cc1cnon1)C12CC[NH+](CC1)C2 ZINC001482787163 892705803 /nfs/dbraw/zinc/70/58/03/892705803.db2.gz VGIWKGVUSXAHIO-NSHDSACASA-N 2 1 295.343 -1.268 20 0 CAADMP CNC(=O)[C@H](C)[NH2+]C/C=C\CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001482991809 892721036 /nfs/dbraw/zinc/72/10/36/892721036.db2.gz CKFWJDQBXAOXTN-DFPOMNKCSA-N 2 1 298.387 -1.287 20 0 CAADMP CNC(=O)[C@H](C)[NH2+]C/C=C\CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001482991809 892721038 /nfs/dbraw/zinc/72/10/38/892721038.db2.gz CKFWJDQBXAOXTN-DFPOMNKCSA-N 2 1 298.387 -1.287 20 0 CAADMP CNC(=O)[C@H](C)[NH2+]C/C=C/CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001482991812 892721112 /nfs/dbraw/zinc/72/11/12/892721112.db2.gz CKFWJDQBXAOXTN-XMXMHJJKSA-N 2 1 298.387 -1.287 20 0 CAADMP CNC(=O)[C@H](C)[NH2+]C/C=C/CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001482991812 892721113 /nfs/dbraw/zinc/72/11/13/892721113.db2.gz CKFWJDQBXAOXTN-XMXMHJJKSA-N 2 1 298.387 -1.287 20 0 CAADMP CNC(=O)[C@H](C)[NH2+]C/C=C\CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001482991810 892723343 /nfs/dbraw/zinc/72/33/43/892723343.db2.gz CKFWJDQBXAOXTN-KBIXYVOKSA-N 2 1 298.387 -1.287 20 0 CAADMP CNC(=O)[C@H](C)[NH2+]C/C=C\CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001482991810 892723349 /nfs/dbraw/zinc/72/33/49/892723349.db2.gz CKFWJDQBXAOXTN-KBIXYVOKSA-N 2 1 298.387 -1.287 20 0 CAADMP Cc1c[nH+]cn1CC(=O)N[C@@H](C)C[NH2+]CC(N)=O ZINC001483248563 892747421 /nfs/dbraw/zinc/74/74/21/892747421.db2.gz GJCZUIXEFOZPHJ-QMMMGPOBSA-N 2 1 253.306 -1.229 20 0 CAADMP C[C@@H](C[NH2+][C@@H]1CCNC1=O)NC(=O)CC[NH+]1CCOCC1 ZINC001483274957 892751943 /nfs/dbraw/zinc/75/19/43/892751943.db2.gz RKZVXKFURKCOPB-NWDGAFQWSA-N 2 1 298.387 -1.309 20 0 CAADMP CN(CCC[NH2+]CC(=O)NC(N)=O)C(=O)[C@H]1CCC[N@H+]1C ZINC001483484757 892765566 /nfs/dbraw/zinc/76/55/66/892765566.db2.gz SQNZFJZZLGLUMF-SNVBAGLBSA-N 2 1 299.375 -1.286 20 0 CAADMP C[N@H+]1CCC[C@@H]1C(=O)N(CCO)CC[NH2+]CCO ZINC001484478330 892861863 /nfs/dbraw/zinc/86/18/63/892861863.db2.gz MWSOGJLVCWARGU-LLVKDONJSA-N 2 1 259.350 -1.517 20 0 CAADMP COCC[NH2+]CCN(CCO)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001484479694 892861945 /nfs/dbraw/zinc/86/19/45/892861945.db2.gz YLFOQNHJSVMJDV-GFCCVEGCSA-N 2 1 289.376 -1.626 20 0 CAADMP COCC[NH2+]CCN(CCO)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001484479694 892861953 /nfs/dbraw/zinc/86/19/53/892861953.db2.gz YLFOQNHJSVMJDV-GFCCVEGCSA-N 2 1 289.376 -1.626 20 0 CAADMP C[N@@H+]1CCO[C@H](C(=O)N(CCO)CC[NH2+]CCO)C1 ZINC001484478799 892862810 /nfs/dbraw/zinc/86/28/10/892862810.db2.gz CDBNUZPLNJZHFR-NSHDSACASA-N 2 1 275.349 -2.280 20 0 CAADMP C[N@H+]1CCO[C@H](C(=O)N(CCO)CC[NH2+]CCO)C1 ZINC001484478799 892862818 /nfs/dbraw/zinc/86/28/18/892862818.db2.gz CDBNUZPLNJZHFR-NSHDSACASA-N 2 1 275.349 -2.280 20 0 CAADMP C[N@@H+]1CCO[C@@H](C(=O)N(CCO)CC[NH2+]CCO)C1 ZINC001484478798 892863486 /nfs/dbraw/zinc/86/34/86/892863486.db2.gz CDBNUZPLNJZHFR-LLVKDONJSA-N 2 1 275.349 -2.280 20 0 CAADMP C[N@H+]1CCO[C@@H](C(=O)N(CCO)CC[NH2+]CCO)C1 ZINC001484478798 892863493 /nfs/dbraw/zinc/86/34/93/892863493.db2.gz CDBNUZPLNJZHFR-LLVKDONJSA-N 2 1 275.349 -2.280 20 0 CAADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCO[C@@H](C[NH2+]CCO)C1 ZINC001484688870 892883713 /nfs/dbraw/zinc/88/37/13/892883713.db2.gz OEKJCESSZKEIJI-NWDGAFQWSA-N 2 1 271.361 -1.110 20 0 CAADMP C[N@H+]1CC[C@H](C(=O)N2CCC[C@](CO)([NH2+]CCO)C2)C1 ZINC001484855128 892893095 /nfs/dbraw/zinc/89/30/95/892893095.db2.gz YSXBGMBGJRWLEO-JSGCOSHPSA-N 2 1 285.388 -1.127 20 0 CAADMP C[C@H](CN(C)C(=O)CC[NH+]1CCOCC1)[NH2+]CC(N)=O ZINC001485933311 892956870 /nfs/dbraw/zinc/95/68/70/892956870.db2.gz AYAABMPRVHVBOF-LLVKDONJSA-N 2 1 286.376 -1.370 20 0 CAADMP Cc1c[nH+]cn1CC(=O)NC[C@H](CO)[NH2+]CCO ZINC001486017606 892987605 /nfs/dbraw/zinc/98/76/05/892987605.db2.gz VFLYQJFRRTYUJG-SNVBAGLBSA-N 2 1 256.306 -1.749 20 0 CAADMP CC(C)[N@H+](C)CC(=O)NC[C@H](CO)[NH2+]Cc1cnnn1C ZINC001486064885 893006714 /nfs/dbraw/zinc/00/67/14/893006714.db2.gz ASRVUXXEZCXSIW-LLVKDONJSA-N 2 1 298.391 -1.278 20 0 CAADMP CC(C)[N@@H+](C)CC(=O)NC[C@H](CO)[NH2+]Cc1cnnn1C ZINC001486064885 893006734 /nfs/dbraw/zinc/00/67/34/893006734.db2.gz ASRVUXXEZCXSIW-LLVKDONJSA-N 2 1 298.391 -1.278 20 0 CAADMP CC[NH2+][C@@H](CO)CNC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001486063986 893009372 /nfs/dbraw/zinc/00/93/72/893009372.db2.gz WMZDBJMCAWXRAW-MNOVXSKESA-N 2 1 259.350 -1.206 20 0 CAADMP CC[NH2+][C@@H](CO)CNC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001486063986 893009394 /nfs/dbraw/zinc/00/93/94/893009394.db2.gz WMZDBJMCAWXRAW-MNOVXSKESA-N 2 1 259.350 -1.206 20 0 CAADMP CC(C)[N@H+](C)CC(=O)NC[C@@H](CO)[NH2+]Cc1cnnn1C ZINC001486064889 893011123 /nfs/dbraw/zinc/01/11/23/893011123.db2.gz ASRVUXXEZCXSIW-NSHDSACASA-N 2 1 298.391 -1.278 20 0 CAADMP CC(C)[N@@H+](C)CC(=O)NC[C@@H](CO)[NH2+]Cc1cnnn1C ZINC001486064889 893011146 /nfs/dbraw/zinc/01/11/46/893011146.db2.gz ASRVUXXEZCXSIW-NSHDSACASA-N 2 1 298.391 -1.278 20 0 CAADMP COCC[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001486266401 893023913 /nfs/dbraw/zinc/02/39/13/893023913.db2.gz FSMZIICLTWLYOB-NWDGAFQWSA-N 2 1 289.376 -1.628 20 0 CAADMP COCC[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001486266401 893023936 /nfs/dbraw/zinc/02/39/36/893023936.db2.gz FSMZIICLTWLYOB-NWDGAFQWSA-N 2 1 289.376 -1.628 20 0 CAADMP COCC[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001486266400 893024799 /nfs/dbraw/zinc/02/47/99/893024799.db2.gz FSMZIICLTWLYOB-NEPJUHHUSA-N 2 1 289.376 -1.628 20 0 CAADMP COCC[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001486266400 893024817 /nfs/dbraw/zinc/02/48/17/893024817.db2.gz FSMZIICLTWLYOB-NEPJUHHUSA-N 2 1 289.376 -1.628 20 0 CAADMP CN(C[C@@H](O)C[NH2+]CCCO)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001486268575 893033814 /nfs/dbraw/zinc/03/38/14/893033814.db2.gz SCOOPMRMYJYZBR-RYUDHWBXSA-N 2 1 289.376 -1.892 20 0 CAADMP CN(C[C@@H](O)C[NH2+]CCCO)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001486268575 893033835 /nfs/dbraw/zinc/03/38/35/893033835.db2.gz SCOOPMRMYJYZBR-RYUDHWBXSA-N 2 1 289.376 -1.892 20 0 CAADMP CNC(=O)C[NH2+]C1CC(N(C)C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001486459519 893064762 /nfs/dbraw/zinc/06/47/62/893064762.db2.gz ZDANEACUDGWVFD-MCIGGMRASA-N 2 1 298.387 -1.358 20 0 CAADMP CNC(=O)C[NH2+]C1CC(N(C)C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001486459519 893064782 /nfs/dbraw/zinc/06/47/82/893064782.db2.gz ZDANEACUDGWVFD-MCIGGMRASA-N 2 1 298.387 -1.358 20 0 CAADMP CNC(=O)C[NH2+]C1CC(N(C)C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001486459518 893070941 /nfs/dbraw/zinc/07/09/41/893070941.db2.gz ZDANEACUDGWVFD-HTAVTVPLSA-N 2 1 298.387 -1.358 20 0 CAADMP CNC(=O)C[NH2+]C1CC(N(C)C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001486459518 893070959 /nfs/dbraw/zinc/07/09/59/893070959.db2.gz ZDANEACUDGWVFD-HTAVTVPLSA-N 2 1 298.387 -1.358 20 0 CAADMP CN(CCOCC[NH2+]CC(N)=O)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001486498804 893074519 /nfs/dbraw/zinc/07/45/19/893074519.db2.gz GQCUCDZTTNIPAM-NSHDSACASA-N 2 1 286.376 -1.512 20 0 CAADMP CN(CCOCC[NH2+]CCO)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001486499124 893076086 /nfs/dbraw/zinc/07/60/86/893076086.db2.gz LVVLHVQYBPFADG-LBPRGKRZSA-N 2 1 273.377 -1.005 20 0 CAADMP C[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]([NH2+]CCO)C2CC2)C1 ZINC001490647750 893211616 /nfs/dbraw/zinc/21/16/16/893211616.db2.gz FYEIPGCXBMXAMZ-VXGBXAGGSA-N 2 1 271.361 -1.206 20 0 CAADMP C[N@H+]1CCO[C@@H](C(=O)NC[C@@H]([NH2+]CCO)C2CC2)C1 ZINC001490647750 893211630 /nfs/dbraw/zinc/21/16/30/893211630.db2.gz FYEIPGCXBMXAMZ-VXGBXAGGSA-N 2 1 271.361 -1.206 20 0 CAADMP C[N@@H+]1CCO[C@H](C(=O)NC[C@H]([NH2+]CCO)C2CC2)C1 ZINC001490647749 893214460 /nfs/dbraw/zinc/21/44/60/893214460.db2.gz FYEIPGCXBMXAMZ-RYUDHWBXSA-N 2 1 271.361 -1.206 20 0 CAADMP C[N@H+]1CCO[C@H](C(=O)NC[C@H]([NH2+]CCO)C2CC2)C1 ZINC001490647749 893214479 /nfs/dbraw/zinc/21/44/79/893214479.db2.gz FYEIPGCXBMXAMZ-RYUDHWBXSA-N 2 1 271.361 -1.206 20 0 CAADMP CNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001490956500 893229000 /nfs/dbraw/zinc/22/90/00/893229000.db2.gz WEIYFZSMWMHVSW-GMTAPVOTSA-N 2 1 268.361 -1.079 20 0 CAADMP C[N@@H+]1CCO[C@H](C(=O)N2CCC[C@H](C[NH2+]CC(N)=O)C2)C1 ZINC001491144678 893244108 /nfs/dbraw/zinc/24/41/08/893244108.db2.gz IVTGVZIXLVOGFI-NEPJUHHUSA-N 2 1 298.387 -1.370 20 0 CAADMP C[N@H+]1CCO[C@H](C(=O)N2CCC[C@H](C[NH2+]CC(N)=O)C2)C1 ZINC001491144678 893244121 /nfs/dbraw/zinc/24/41/21/893244121.db2.gz IVTGVZIXLVOGFI-NEPJUHHUSA-N 2 1 298.387 -1.370 20 0 CAADMP C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[NH2+]CC(N)=O ZINC001491458160 893276093 /nfs/dbraw/zinc/27/60/93/893276093.db2.gz XZNCCRMBLPIMDC-OPRDCNLKSA-N 2 1 256.350 -1.094 20 0 CAADMP Cc1c[nH+]cn1CC(=O)NC[C@H](C)[NH2+]CC(N)=O ZINC001491528664 893284502 /nfs/dbraw/zinc/28/45/02/893284502.db2.gz NIWUYSRRRZYYPU-QMMMGPOBSA-N 2 1 253.306 -1.229 20 0 CAADMP C[C@H](CCNC(=O)[C@H]1CCC[N@H+]1C)[NH2+]CC(=O)NC(N)=O ZINC001491992422 893320302 /nfs/dbraw/zinc/32/03/02/893320302.db2.gz UGKKWNDWMQYDTR-NXEZZACHSA-N 2 1 299.375 -1.240 20 0 CAADMP C[NH+](CCNC(=O)[C@H]1CC[N@H+](C)C1)CC(=O)NC(N)=O ZINC001492853375 893362440 /nfs/dbraw/zinc/36/24/40/893362440.db2.gz HDRZWJYAGVIWCJ-VIFPVBQESA-N 2 1 285.348 -1.819 20 0 CAADMP C[N@H+](CCNC(=O)[C@H]1CC[NH+](C)C1)CC(=O)NC(N)=O ZINC001492853375 893362401 /nfs/dbraw/zinc/36/24/01/893362401.db2.gz HDRZWJYAGVIWCJ-VIFPVBQESA-N 2 1 285.348 -1.819 20 0 CAADMP C[N@@H+](CCNC(=O)[C@H]1CC[NH+](C)C1)CC(=O)NC(N)=O ZINC001492853375 893362417 /nfs/dbraw/zinc/36/24/17/893362417.db2.gz HDRZWJYAGVIWCJ-VIFPVBQESA-N 2 1 285.348 -1.819 20 0 CAADMP C[NH+](CCNC(=O)[C@H]1CC[N@@H+](C)C1)CC(=O)NC(N)=O ZINC001492853375 893362458 /nfs/dbraw/zinc/36/24/58/893362458.db2.gz HDRZWJYAGVIWCJ-VIFPVBQESA-N 2 1 285.348 -1.819 20 0 CAADMP C[NH+]1CCO[C@@H](C(=O)NCC[N@H+](CCO)C2CC2)C1 ZINC001493358828 893394776 /nfs/dbraw/zinc/39/47/76/893394776.db2.gz VWLGKVHJXGWMSM-GFCCVEGCSA-N 2 1 271.361 -1.110 20 0 CAADMP C[NH+]1CCO[C@@H](C(=O)NCC[N@@H+](CCO)C2CC2)C1 ZINC001493358828 893394794 /nfs/dbraw/zinc/39/47/94/893394794.db2.gz VWLGKVHJXGWMSM-GFCCVEGCSA-N 2 1 271.361 -1.110 20 0 CAADMP C[N@@H+]1CCO[C@@H](C(=O)NCC[NH+](CCO)C2CC2)C1 ZINC001493358828 893394741 /nfs/dbraw/zinc/39/47/41/893394741.db2.gz VWLGKVHJXGWMSM-GFCCVEGCSA-N 2 1 271.361 -1.110 20 0 CAADMP C[N@H+]1CCO[C@@H](C(=O)NCC[NH+](CCO)C2CC2)C1 ZINC001493358828 893394760 /nfs/dbraw/zinc/39/47/60/893394760.db2.gz VWLGKVHJXGWMSM-GFCCVEGCSA-N 2 1 271.361 -1.110 20 0 CAADMP C[N@@H+]1CCO[C@H](C(=O)NCC[NH+](CCO)C2CC2)C1 ZINC001493358829 893396326 /nfs/dbraw/zinc/39/63/26/893396326.db2.gz VWLGKVHJXGWMSM-LBPRGKRZSA-N 2 1 271.361 -1.110 20 0 CAADMP C[N@H+]1CCO[C@H](C(=O)NCC[NH+](CCO)C2CC2)C1 ZINC001493358829 893396346 /nfs/dbraw/zinc/39/63/46/893396346.db2.gz VWLGKVHJXGWMSM-LBPRGKRZSA-N 2 1 271.361 -1.110 20 0 CAADMP C[NH+]1CCO[C@H](C(=O)NCC[N@H+](CCO)C2CC2)C1 ZINC001493358829 893396366 /nfs/dbraw/zinc/39/63/66/893396366.db2.gz VWLGKVHJXGWMSM-LBPRGKRZSA-N 2 1 271.361 -1.110 20 0 CAADMP C[NH+]1CCO[C@H](C(=O)NCC[N@@H+](CCO)C2CC2)C1 ZINC001493358829 893396384 /nfs/dbraw/zinc/39/63/84/893396384.db2.gz VWLGKVHJXGWMSM-LBPRGKRZSA-N 2 1 271.361 -1.110 20 0 CAADMP COC[C@@H](O)C[NH2+]CCN(C)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001493508209 893400764 /nfs/dbraw/zinc/40/07/64/893400764.db2.gz MONBTKNBXYUGEB-NWDGAFQWSA-N 2 1 289.376 -1.628 20 0 CAADMP COC[C@@H](O)C[NH2+]CCN(C)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001493508209 893400775 /nfs/dbraw/zinc/40/07/75/893400775.db2.gz MONBTKNBXYUGEB-NWDGAFQWSA-N 2 1 289.376 -1.628 20 0 CAADMP COC[C@@H](O)C[NH2+]CCN(C)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001493508211 893401752 /nfs/dbraw/zinc/40/17/52/893401752.db2.gz MONBTKNBXYUGEB-RYUDHWBXSA-N 2 1 289.376 -1.628 20 0 CAADMP COC[C@@H](O)C[NH2+]CCN(C)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001493508211 893401755 /nfs/dbraw/zinc/40/17/55/893401755.db2.gz MONBTKNBXYUGEB-RYUDHWBXSA-N 2 1 289.376 -1.628 20 0 CAADMP COC[C@H](O)C[NH2+]CCN(C)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001493508213 893402104 /nfs/dbraw/zinc/40/21/04/893402104.db2.gz MONBTKNBXYUGEB-VXGBXAGGSA-N 2 1 289.376 -1.628 20 0 CAADMP COC[C@H](O)C[NH2+]CCN(C)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001493508213 893402111 /nfs/dbraw/zinc/40/21/11/893402111.db2.gz MONBTKNBXYUGEB-VXGBXAGGSA-N 2 1 289.376 -1.628 20 0 CAADMP CN(CC[NH2+]CC(N)=O)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001493761396 893415696 /nfs/dbraw/zinc/41/56/96/893415696.db2.gz JRNIJKSTYFNZFC-JTQLQIEISA-N 2 1 256.350 -1.139 20 0 CAADMP CC[C@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)[NH2+]CC(N)=O ZINC001494960446 893464751 /nfs/dbraw/zinc/46/47/51/893464751.db2.gz VVCCFJAKJVGHRO-ZJUUUORDSA-N 2 1 272.349 -1.713 20 0 CAADMP CC[C@@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)[NH2+]CC(N)=O ZINC001494960445 893466250 /nfs/dbraw/zinc/46/62/50/893466250.db2.gz VVCCFJAKJVGHRO-VHSXEESVSA-N 2 1 272.349 -1.713 20 0 CAADMP CNC(=O)C[NH2+]C[C@H](C)CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001495635967 893483026 /nfs/dbraw/zinc/48/30/26/893483026.db2.gz UILKQCPSFGWKNJ-QWRGUYRKSA-N 2 1 286.376 -1.595 20 0 CAADMP CNC(=O)C[NH2+]C[C@H](C)CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001495635967 893483030 /nfs/dbraw/zinc/48/30/30/893483030.db2.gz UILKQCPSFGWKNJ-QWRGUYRKSA-N 2 1 286.376 -1.595 20 0 CAADMP C[C@@H](C[NH2+]CC(N)=O)N(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001496229458 893513647 /nfs/dbraw/zinc/51/36/47/893513647.db2.gz IEGWRTPXXVOSMU-UWVGGRQHSA-N 2 1 256.350 -1.140 20 0 CAADMP Cc1[nH+]cc2n1C[C@H](C(=O)NC[C@@H](O)C[NH2+]CCO)CC2 ZINC001497049838 893593725 /nfs/dbraw/zinc/59/37/25/893593725.db2.gz GSLLWCLODIBWCE-YPMHNXCESA-N 2 1 296.371 -1.187 20 0 CAADMP CNC(=O)C[NH2+]C[C@H](O)CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001497091012 893602122 /nfs/dbraw/zinc/60/21/22/893602122.db2.gz CXCOZJIHBFCIRB-QWRGUYRKSA-N 2 1 286.376 -1.859 20 0 CAADMP CNC(=O)C[NH2+]C[C@H](O)CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001497091011 893602420 /nfs/dbraw/zinc/60/24/20/893602420.db2.gz CXCOZJIHBFCIRB-MNOVXSKESA-N 2 1 286.376 -1.859 20 0 CAADMP Cc1nnc(C[NH2+]C[C@@H](O)CNC(=O)[C@H]2CC[N@@H+](C)C2)[nH]1 ZINC001497113684 893603971 /nfs/dbraw/zinc/60/39/71/893603971.db2.gz LMBATSLMZVLCJQ-WDEREUQCSA-N 2 1 296.375 -1.368 20 0 CAADMP Cc1nnc(C[NH2+]C[C@@H](O)CNC(=O)[C@H]2CC[N@H+](C)C2)[nH]1 ZINC001497113684 893603976 /nfs/dbraw/zinc/60/39/76/893603976.db2.gz LMBATSLMZVLCJQ-WDEREUQCSA-N 2 1 296.375 -1.368 20 0 CAADMP Cc1[nH+]ccn1CC(=O)NC[C@H](O)C[NH2+]CCO ZINC001497112690 893604210 /nfs/dbraw/zinc/60/42/10/893604210.db2.gz WQBCKHABXHIDDO-SNVBAGLBSA-N 2 1 256.306 -1.749 20 0 CAADMP Cc1nnc(C[NH2+]C[C@H](O)CNC(=O)[C@@H]2CC[N@@H+](C)C2)[nH]1 ZINC001497113682 893604978 /nfs/dbraw/zinc/60/49/78/893604978.db2.gz LMBATSLMZVLCJQ-MNOVXSKESA-N 2 1 296.375 -1.368 20 0 CAADMP Cc1nnc(C[NH2+]C[C@H](O)CNC(=O)[C@@H]2CC[N@H+](C)C2)[nH]1 ZINC001497113682 893604987 /nfs/dbraw/zinc/60/49/87/893604987.db2.gz LMBATSLMZVLCJQ-MNOVXSKESA-N 2 1 296.375 -1.368 20 0 CAADMP Cc1nonc1C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001497115958 893608371 /nfs/dbraw/zinc/60/83/71/893608371.db2.gz XVJHFVMZJCZUTP-GHMZBOCLSA-N 2 1 297.359 -1.104 20 0 CAADMP Cc1nonc1C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001497115958 893608375 /nfs/dbraw/zinc/60/83/75/893608375.db2.gz XVJHFVMZJCZUTP-GHMZBOCLSA-N 2 1 297.359 -1.104 20 0 CAADMP C[C@H](CC[NH2+]CC(N)=O)NC(=O)CC[NH+]1CCOCC1 ZINC001497288250 893612924 /nfs/dbraw/zinc/61/29/24/893612924.db2.gz BJXVEIGRMFHOHW-LLVKDONJSA-N 2 1 286.376 -1.322 20 0 CAADMP C[C@@H](CC[NH2+]CC(N)=O)NC(=O)CC[NH+]1CCOCC1 ZINC001497288253 893613013 /nfs/dbraw/zinc/61/30/13/893613013.db2.gz BJXVEIGRMFHOHW-NSHDSACASA-N 2 1 286.376 -1.322 20 0 CAADMP CN(C)C(=O)C[NH2+]C/C=C\CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001497551201 893624282 /nfs/dbraw/zinc/62/42/82/893624282.db2.gz BELSXFCKDKHGDG-RXNFCKPNSA-N 2 1 298.387 -1.333 20 0 CAADMP CN(C)C(=O)C[NH2+]C/C=C\CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001497551201 893624292 /nfs/dbraw/zinc/62/42/92/893624292.db2.gz BELSXFCKDKHGDG-RXNFCKPNSA-N 2 1 298.387 -1.333 20 0 CAADMP CN(C)C(=O)C[NH2+]C/C=C/CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001497551199 893625010 /nfs/dbraw/zinc/62/50/10/893625010.db2.gz BELSXFCKDKHGDG-ITKZLYELSA-N 2 1 298.387 -1.333 20 0 CAADMP CN(C)C(=O)C[NH2+]C/C=C/CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001497551199 893625015 /nfs/dbraw/zinc/62/50/15/893625015.db2.gz BELSXFCKDKHGDG-ITKZLYELSA-N 2 1 298.387 -1.333 20 0 CAADMP CN(C)C(=O)C[NH2+]C/C=C\CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001497551200 893625042 /nfs/dbraw/zinc/62/50/42/893625042.db2.gz BELSXFCKDKHGDG-QMAVJUDZSA-N 2 1 298.387 -1.333 20 0 CAADMP CN(C)C(=O)C[NH2+]C/C=C\CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001497551200 893625046 /nfs/dbraw/zinc/62/50/46/893625046.db2.gz BELSXFCKDKHGDG-QMAVJUDZSA-N 2 1 298.387 -1.333 20 0 CAADMP C[C@@H](C[NH2+]CC(=O)NC(N)=O)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001498045515 893649658 /nfs/dbraw/zinc/64/96/58/893649658.db2.gz YOCSSHOMVSRDJQ-IVZWLZJFSA-N 2 1 299.375 -1.384 20 0 CAADMP CC[N@@H+](C)CCC(=O)N[C@@H](C)C[NH2+]CC(=O)NC(N)=O ZINC001498152514 893661178 /nfs/dbraw/zinc/66/11/78/893661178.db2.gz BRTJQEIGWWDRKA-VIFPVBQESA-N 2 1 287.364 -1.383 20 0 CAADMP C[N@H+]1CC[C@H](C(=O)N[C@@H](C[NH2+]CC(N)=O)C2CC2)C1 ZINC001498860600 893694119 /nfs/dbraw/zinc/69/41/19/893694119.db2.gz AKYUKXCSFWRJHH-QWRGUYRKSA-N 2 1 268.361 -1.092 20 0 CAADMP C[N@H+]1CCC[C@@H]1C(=O)NCC1([NH2+]CC(N)=O)CC1 ZINC001499183395 893708253 /nfs/dbraw/zinc/70/82/53/893708253.db2.gz BSOWUZIBISKSON-SECBINFHSA-N 2 1 254.334 -1.196 20 0 CAADMP CNC(=O)C[NH2+]C1(CNC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001499448758 893716674 /nfs/dbraw/zinc/71/66/74/893716674.db2.gz QYGFYXWXCHGUSV-SNVBAGLBSA-N 2 1 268.361 -1.078 20 0 CAADMP CC[N@@H+]1CCO[C@H](C(=O)N2CCC[C@H]2C[NH2+]CC(N)=O)C1 ZINC001499952875 893728263 /nfs/dbraw/zinc/72/82/63/893728263.db2.gz MEHAZSNHXQCVAS-RYUDHWBXSA-N 2 1 298.387 -1.227 20 0 CAADMP CC[N@H+]1CCO[C@H](C(=O)N2CCC[C@H]2C[NH2+]CC(N)=O)C1 ZINC001499952875 893728269 /nfs/dbraw/zinc/72/82/69/893728269.db2.gz MEHAZSNHXQCVAS-RYUDHWBXSA-N 2 1 298.387 -1.227 20 0 CAADMP CNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001500758528 893751630 /nfs/dbraw/zinc/75/16/30/893751630.db2.gz FCUMJONEYMSJPH-BXUZGUMPSA-N 2 1 298.387 -1.763 20 0 CAADMP CNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001500758528 893751641 /nfs/dbraw/zinc/75/16/41/893751641.db2.gz FCUMJONEYMSJPH-BXUZGUMPSA-N 2 1 298.387 -1.763 20 0 CAADMP CNC(=O)C[NH+]1CC[C@@](O)(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001500758528 893751648 /nfs/dbraw/zinc/75/16/48/893751648.db2.gz FCUMJONEYMSJPH-BXUZGUMPSA-N 2 1 298.387 -1.763 20 0 CAADMP CNC(=O)C[NH+]1CC[C@@](O)(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001500758528 893751657 /nfs/dbraw/zinc/75/16/57/893751657.db2.gz FCUMJONEYMSJPH-BXUZGUMPSA-N 2 1 298.387 -1.763 20 0 CAADMP C[N@H+]1CC[C@H](CC(=O)NC[C@@]2(O)CC[NH+](CCO)C2)C1 ZINC001500751735 893752113 /nfs/dbraw/zinc/75/21/13/893752113.db2.gz ZBABAKMZILISJM-OCCSQVGLSA-N 2 1 285.388 -1.127 20 0 CAADMP C[NH+]1CC[C@H](CC(=O)NC[C@@]2(O)CC[N@H+](CCO)C2)C1 ZINC001500751735 893752121 /nfs/dbraw/zinc/75/21/21/893752121.db2.gz ZBABAKMZILISJM-OCCSQVGLSA-N 2 1 285.388 -1.127 20 0 CAADMP C[NH+]1CC[C@H](CC(=O)NC[C@@]2(O)CC[N@@H+](CCO)C2)C1 ZINC001500751735 893752126 /nfs/dbraw/zinc/75/21/26/893752126.db2.gz ZBABAKMZILISJM-OCCSQVGLSA-N 2 1 285.388 -1.127 20 0 CAADMP CNC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001500758530 893753594 /nfs/dbraw/zinc/75/35/94/893753594.db2.gz FCUMJONEYMSJPH-RISCZKNCSA-N 2 1 298.387 -1.763 20 0 CAADMP CNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001500758530 893753601 /nfs/dbraw/zinc/75/36/01/893753601.db2.gz FCUMJONEYMSJPH-RISCZKNCSA-N 2 1 298.387 -1.763 20 0 CAADMP CNC(=O)C[NH+]1CC[C@](O)(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001500758530 893753613 /nfs/dbraw/zinc/75/36/13/893753613.db2.gz FCUMJONEYMSJPH-RISCZKNCSA-N 2 1 298.387 -1.763 20 0 CAADMP CNC(=O)C[NH+]1CC[C@](O)(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001500758530 893753623 /nfs/dbraw/zinc/75/36/23/893753623.db2.gz FCUMJONEYMSJPH-RISCZKNCSA-N 2 1 298.387 -1.763 20 0 CAADMP C[C@H](O)C[NH2+]CCN(CCO)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001501445531 893797448 /nfs/dbraw/zinc/79/74/48/893797448.db2.gz LZZWFHNMFFAEKB-NWDGAFQWSA-N 2 1 289.376 -1.892 20 0 CAADMP C[C@H](O)C[NH2+]CCN(CCO)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001501445531 893797449 /nfs/dbraw/zinc/79/74/49/893797449.db2.gz LZZWFHNMFFAEKB-NWDGAFQWSA-N 2 1 289.376 -1.892 20 0 CAADMP Cc1c[nH+]cn1CC(=O)N(CCO)CC[NH2+][C@@H](C)C(N)=O ZINC001501474841 893805677 /nfs/dbraw/zinc/80/56/77/893805677.db2.gz NAEUWZNUEQUYCE-NSHDSACASA-N 2 1 297.359 -1.524 20 0 CAADMP C[N@H+]1CCCC[C@H]1C(=O)N(CCO)CC[NH2+]CCO ZINC001501484844 893808768 /nfs/dbraw/zinc/80/87/68/893808768.db2.gz VKTZTCXFXUSGNB-LBPRGKRZSA-N 2 1 273.377 -1.127 20 0 CAADMP Cc1[nH+]ccn1CC(=O)N1CCO[C@@H](C[NH2+]CC(N)=O)C1 ZINC001502092065 893840031 /nfs/dbraw/zinc/84/00/31/893840031.db2.gz HMQQDMZLXRYSGQ-NSHDSACASA-N 2 1 295.343 -1.506 20 0 CAADMP CNC(=O)C[NH2+]C[C@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)CCO1 ZINC001502092096 893842258 /nfs/dbraw/zinc/84/22/58/893842258.db2.gz ICYHPRYBAFLSML-NEPJUHHUSA-N 2 1 298.387 -1.499 20 0 CAADMP C[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH+](C)CC(=O)NC(N)=O ZINC001506057342 893917297 /nfs/dbraw/zinc/91/72/97/893917297.db2.gz ZZIUXPLXHYRSAR-ZJUUUORDSA-N 2 1 299.375 -1.431 20 0 CAADMP C[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)[NH+](C)CC(=O)NC(N)=O ZINC001506057342 893917316 /nfs/dbraw/zinc/91/73/16/893917316.db2.gz ZZIUXPLXHYRSAR-ZJUUUORDSA-N 2 1 299.375 -1.431 20 0 CAADMP C[C@H](CNC(=O)[C@H]1CC[NH+](C)C1)[N@H+](C)CC(=O)NC(N)=O ZINC001506057342 893917335 /nfs/dbraw/zinc/91/73/35/893917335.db2.gz ZZIUXPLXHYRSAR-ZJUUUORDSA-N 2 1 299.375 -1.431 20 0 CAADMP C[C@H](CNC(=O)[C@H]1CC[NH+](C)C1)[N@@H+](C)CC(=O)NC(N)=O ZINC001506057342 893917358 /nfs/dbraw/zinc/91/73/58/893917358.db2.gz ZZIUXPLXHYRSAR-ZJUUUORDSA-N 2 1 299.375 -1.431 20 0 CAADMP C[C@@H]1[C@H](C(=O)NC[C@H](CO)[NH2+]CCO)CC[N@H+]1C ZINC001507198325 893991114 /nfs/dbraw/zinc/99/11/14/893991114.db2.gz TUYJGVSHMHAXJK-GMTAPVOTSA-N 2 1 259.350 -1.614 20 0 CAADMP CN(C)C(=O)C[NH2+][C@H](CO)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001507260777 894026961 /nfs/dbraw/zinc/02/69/61/894026961.db2.gz NPKHIUOPZCYGRK-MNOVXSKESA-N 2 1 286.376 -1.907 20 0 CAADMP C[N@H+]1CC[C@H](C(=O)NC[C@H](CO)[NH2+]CC(=O)N2CCC2)C1 ZINC001507262133 894033028 /nfs/dbraw/zinc/03/30/28/894033028.db2.gz VOXHWZNUIPCAAH-NWDGAFQWSA-N 2 1 298.387 -1.763 20 0 CAADMP C[N@H+]1CC[C@@H](C(=O)NC[C@@H](CO)[NH2+]CCCO)C1 ZINC001507261749 894033801 /nfs/dbraw/zinc/03/38/01/894033801.db2.gz UNIZEGTUWJMSBO-MNOVXSKESA-N 2 1 259.350 -1.613 20 0 CAADMP Cc1[nH+]ccn1CC(=O)NC[C@H](CO)[NH2+][C@@H]1CCNC1=O ZINC001507261677 894035474 /nfs/dbraw/zinc/03/54/74/894035474.db2.gz UADWGEUCRAJCAN-GHMZBOCLSA-N 2 1 295.343 -1.853 20 0 CAADMP Cc1[nH+]ccn1CC(=O)NC[C@H](CO)[NH2+][C@H]1CCNC1=O ZINC001507261679 894036124 /nfs/dbraw/zinc/03/61/24/894036124.db2.gz UADWGEUCRAJCAN-MNOVXSKESA-N 2 1 295.343 -1.853 20 0 CAADMP Cc1[nH+]ccn1CC(=O)NC[C@@H](CO)[NH2+][C@@H]1CCNC1=O ZINC001507261683 894036492 /nfs/dbraw/zinc/03/64/92/894036492.db2.gz UADWGEUCRAJCAN-WDEREUQCSA-N 2 1 295.343 -1.853 20 0 CAADMP CN(C[C@H](O)C[NH2+]CCCO)C(=O)[C@@H]1CCC[N@H+]1C ZINC001507470562 894047296 /nfs/dbraw/zinc/04/72/96/894047296.db2.gz HSDWTZYLXKGHBD-NEPJUHHUSA-N 2 1 273.377 -1.128 20 0 CAADMP CN(C[C@@H](O)C[NH2+]CCCO)C(=O)[C@@H]1CCC[N@H+]1C ZINC001507470563 894051032 /nfs/dbraw/zinc/05/10/32/894051032.db2.gz HSDWTZYLXKGHBD-RYUDHWBXSA-N 2 1 273.377 -1.128 20 0 CAADMP Cc1[nH+]ccn1CC(=O)N(C)C[C@H](O)C[NH2+]CCO ZINC001507562571 894069517 /nfs/dbraw/zinc/06/95/17/894069517.db2.gz MMYCPYOCDPKCLX-LLVKDONJSA-N 2 1 270.333 -1.407 20 0 CAADMP Cc1[nH+]ccn1CC(=O)N(C)C[C@@H](O)C[NH2+]CCO ZINC001507562572 894069707 /nfs/dbraw/zinc/06/97/07/894069707.db2.gz MMYCPYOCDPKCLX-NSHDSACASA-N 2 1 270.333 -1.407 20 0 CAADMP C[C@H](NC(=O)[C@@H]1C[NH2+]CCN1C)[C@@H]1C[N@@H+](C)CCN1C ZINC001515355931 894186647 /nfs/dbraw/zinc/18/66/47/894186647.db2.gz AALIYUVOLSSJJG-AVGNSLFASA-N 2 1 283.420 -1.360 20 0 CAADMP C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)NCCCN1CC[NH2+]CC1 ZINC001521145236 894202076 /nfs/dbraw/zinc/20/20/76/894202076.db2.gz QBDGRSDBZSRJDW-KGLIPLIRSA-N 2 1 295.431 -1.214 20 0 CAADMP C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)NCCCN1CC[NH2+]CC1 ZINC001521145238 894203730 /nfs/dbraw/zinc/20/37/30/894203730.db2.gz QBDGRSDBZSRJDW-ZIAGYGMSSA-N 2 1 295.431 -1.214 20 0 CAADMP CC[C@@H]1COCC[N@@H+]1CCNC(=O)C[C@@H](O)C[NH3+] ZINC001522419128 894218731 /nfs/dbraw/zinc/21/87/31/894218731.db2.gz WECLJFSPSFECMQ-GHMZBOCLSA-N 2 1 259.350 -1.077 20 0 CAADMP CC[C@@H]1COCC[N@H+]1CCNC(=O)C[C@@H](O)C[NH3+] ZINC001522419128 894218747 /nfs/dbraw/zinc/21/87/47/894218747.db2.gz WECLJFSPSFECMQ-GHMZBOCLSA-N 2 1 259.350 -1.077 20 0 CAADMP CN1CCN(C(=O)CN2CC[NH2+]CC2)CC[N@@H+](C)CC1 ZINC001523481505 894269215 /nfs/dbraw/zinc/26/92/15/894269215.db2.gz DPJBOFUDQSPPMO-UHFFFAOYSA-N 2 1 283.420 -1.403 20 0 CAADMP CN1CCN(C(=O)[C@@]2(C)C[C@H](O)C[NH2+]2)CC[N@H+](C)CC1 ZINC001523482063 894270678 /nfs/dbraw/zinc/27/06/78/894270678.db2.gz JMTCZMHNWBEXBK-GXTWGEPZSA-N 2 1 284.404 -1.195 20 0 CAADMP CN1CCN(C(=O)[C@@]2(C)C[C@H](O)C[NH2+]2)CC[N@@H+](C)CC1 ZINC001523482063 894270694 /nfs/dbraw/zinc/27/06/94/894270694.db2.gz JMTCZMHNWBEXBK-GXTWGEPZSA-N 2 1 284.404 -1.195 20 0 CAADMP COCC[NH2+]CC(=O)N[C@H](C)[C@H]1C[N@@H+](C)CCN1C ZINC001524029477 894275078 /nfs/dbraw/zinc/27/50/78/894275078.db2.gz NLIZASCNXANLMH-VXGBXAGGSA-N 2 1 272.393 -1.027 20 0 CAADMP COCC[N@H+]1CC[C@@H](NC(=O)[C@H]2C[NH2+]CCN2C)C1 ZINC001548554455 894486564 /nfs/dbraw/zinc/48/65/64/894486564.db2.gz UKNIAKRWJMKMBG-VXGBXAGGSA-N 2 1 270.377 -1.273 20 0 CAADMP COCC[N@H+]1CC[C@H](NC(=O)[C@@H]2C[NH2+]CCN2C)C1 ZINC001548554454 894487343 /nfs/dbraw/zinc/48/73/43/894487343.db2.gz UKNIAKRWJMKMBG-RYUDHWBXSA-N 2 1 270.377 -1.273 20 0 CAADMP CC1(C)CN(C(=O)[C@H]2COCC[NH2+]2)CC2(C[NH2+]C2)O1 ZINC001548576298 894489131 /nfs/dbraw/zinc/48/91/31/894489131.db2.gz SVACKWGWCAHQED-SNVBAGLBSA-N 2 1 269.345 -1.046 20 0 CAADMP C[C@@H]1CN2CCN1C[C@H]2C(=O)N1CCN(C)C[C@@H]1CO ZINC001548731104 894496854 /nfs/dbraw/zinc/49/68/54/894496854.db2.gz UBVBOOMILAAXEV-UPJWGTAASA-N 2 1 282.388 -1.490 20 0 CAADMP C[C@@H]1CN2CCN1C[C@H]2C(=O)N1CCN(CCO)C[C@@H]1C ZINC001548716171 894498053 /nfs/dbraw/zinc/49/80/53/894498053.db2.gz IEXHKZVULJROKR-RDBSUJKOSA-N 2 1 296.415 -1.100 20 0 CAADMP C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)N1CC(N2CC[C@@H](O)C2)C1 ZINC001548725138 894499475 /nfs/dbraw/zinc/49/94/75/894499475.db2.gz OLOXLMAJKOLYLA-BNOWGMLFSA-N 2 1 294.399 -1.348 20 0 CAADMP C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)N1CC([NH+]2CC[C@@H](O)C2)C1 ZINC001548725138 894499477 /nfs/dbraw/zinc/49/94/77/894499477.db2.gz OLOXLMAJKOLYLA-BNOWGMLFSA-N 2 1 294.399 -1.348 20 0 CAADMP C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)N1CC([NH+]2CC[C@@H](O)C2)C1 ZINC001548725138 894499479 /nfs/dbraw/zinc/49/94/79/894499479.db2.gz OLOXLMAJKOLYLA-BNOWGMLFSA-N 2 1 294.399 -1.348 20 0 CAADMP C[C@@H]1CN2CC[NH+]1C[C@H]2C(=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC001548725138 894499484 /nfs/dbraw/zinc/49/94/84/894499484.db2.gz OLOXLMAJKOLYLA-BNOWGMLFSA-N 2 1 294.399 -1.348 20 0 CAADMP C[C@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC001548726881 894500098 /nfs/dbraw/zinc/50/00/98/894500098.db2.gz OLDGGXWSWBTPDH-IGQOVBAYSA-N 2 1 294.399 -1.348 20 0 CAADMP C[C@H]1CN2CC[NH+]1C[C@@H]2C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC001548726881 894500102 /nfs/dbraw/zinc/50/01/02/894500102.db2.gz OLDGGXWSWBTPDH-IGQOVBAYSA-N 2 1 294.399 -1.348 20 0 CAADMP C[NH+](C)C[C@]1(O)CCN(C(=O)[C@]2(C)C[C@H](O)C[N@H+]2C)C1 ZINC001548749925 894501621 /nfs/dbraw/zinc/50/16/21/894501621.db2.gz GTEASAUMXJYQKV-FPMFFAJLSA-N 2 1 285.388 -1.034 20 0 CAADMP C[NH+](C)C[C@]1(O)CCN(C(=O)[C@]2(C)C[C@@H](O)C[N@H+]2C)C1 ZINC001548749943 894501737 /nfs/dbraw/zinc/50/17/37/894501737.db2.gz GTEASAUMXJYQKV-KWCYVHTRSA-N 2 1 285.388 -1.034 20 0 CAADMP C[C@H]1CN2CC[N@H+]1C[C@H]2C(=O)NCC[NH+]1CC[C@H](O)C1 ZINC001548733647 894502295 /nfs/dbraw/zinc/50/22/95/894502295.db2.gz BRYAXHQTMCCCLD-AVGNSLFASA-N 2 1 282.388 -1.443 20 0 CAADMP C[C@H]1CN2CC[NH+]1C[C@H]2C(=O)NCC[N@@H+]1CC[C@H](O)C1 ZINC001548733647 894502306 /nfs/dbraw/zinc/50/23/06/894502306.db2.gz BRYAXHQTMCCCLD-AVGNSLFASA-N 2 1 282.388 -1.443 20 0 CAADMP C[C@H]1CN2CC[NH+]1C[C@H]2C(=O)NCC[N@H+]1CC[C@H](O)C1 ZINC001548733647 894502326 /nfs/dbraw/zinc/50/23/26/894502326.db2.gz BRYAXHQTMCCCLD-AVGNSLFASA-N 2 1 282.388 -1.443 20 0 CAADMP C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)N1CC[C@](O)(C[NH+](C)C)C1 ZINC001548745521 894502856 /nfs/dbraw/zinc/50/28/56/894502856.db2.gz QEMAJRHGKAMGCK-IPYPFGDCSA-N 2 1 296.415 -1.100 20 0 CAADMP C[C@H]1CN2CC[N@H+]1C[C@@H]2C(=O)NCC[NH+]1CC[C@@H](O)C1 ZINC001548733283 894503035 /nfs/dbraw/zinc/50/30/35/894503035.db2.gz BRYAXHQTMCCCLD-YNEHKIRRSA-N 2 1 282.388 -1.443 20 0 CAADMP C[C@H]1CN2CC[NH+]1C[C@@H]2C(=O)NCC[N@@H+]1CC[C@@H](O)C1 ZINC001548733283 894503040 /nfs/dbraw/zinc/50/30/40/894503040.db2.gz BRYAXHQTMCCCLD-YNEHKIRRSA-N 2 1 282.388 -1.443 20 0 CAADMP C[C@H]1CN2CC[NH+]1C[C@@H]2C(=O)NCC[N@H+]1CC[C@@H](O)C1 ZINC001548733283 894503049 /nfs/dbraw/zinc/50/30/49/894503049.db2.gz BRYAXHQTMCCCLD-YNEHKIRRSA-N 2 1 282.388 -1.443 20 0 CAADMP C[NH+](C)C[C@]1(O)CCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001548748667 894503268 /nfs/dbraw/zinc/50/32/68/894503268.db2.gz XSQVDKFBDXSGKR-DGCLKSJQSA-N 2 1 271.361 -1.158 20 0 CAADMP C[NH+](C)C[C@]1(O)CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001548748667 894503274 /nfs/dbraw/zinc/50/32/74/894503274.db2.gz XSQVDKFBDXSGKR-DGCLKSJQSA-N 2 1 271.361 -1.158 20 0 CAADMP C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N1CC[C@@](O)(C[NH+](C)C)C1 ZINC001548745523 894504219 /nfs/dbraw/zinc/50/42/19/894504219.db2.gz QEMAJRHGKAMGCK-UMVBOHGHSA-N 2 1 296.415 -1.100 20 0 CAADMP C[NH+](C)C[C@@]1(O)CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001548748665 894504648 /nfs/dbraw/zinc/50/46/48/894504648.db2.gz XSQVDKFBDXSGKR-AAEUAGOBSA-N 2 1 271.361 -1.158 20 0 CAADMP C[NH+](C)C[C@@]1(O)CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001548748665 894504664 /nfs/dbraw/zinc/50/46/64/894504664.db2.gz XSQVDKFBDXSGKR-AAEUAGOBSA-N 2 1 271.361 -1.158 20 0 CAADMP O=C([C@@H]1COCC[NH2+]1)N1CC[C@H]2OCC[NH2+][C@H]2C1 ZINC001549045158 894508700 /nfs/dbraw/zinc/50/87/00/894508700.db2.gz ZCPGNAPIFDJCMK-GARJFASQSA-N 2 1 255.318 -1.436 20 0 CAADMP NC(=O)C[C@H]([NH3+])C(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC001549128370 894510537 /nfs/dbraw/zinc/51/05/37/894510537.db2.gz LSWGCDPDYYXYBT-AUTRQRHGSA-N 2 1 254.334 -1.224 20 0 CAADMP C[C@@H]1OCC[NH2+][C@@H]1C(=O)N1CCCO[C@H](C[NH3+])C1 ZINC001549048187 894511787 /nfs/dbraw/zinc/51/17/87/894511787.db2.gz BCDFWICPNNFHAB-AXFHLTTASA-N 2 1 257.334 -1.061 20 0 CAADMP O=C(NCc1cnn2c1C[NH2+]CC2)[C@]12C[NH2+]C[C@@H]1COC2 ZINC001549720991 894523639 /nfs/dbraw/zinc/52/36/39/894523639.db2.gz JECJVQAEXRUAIZ-RISCZKNCSA-N 2 1 291.355 -1.162 20 0 CAADMP Cn1ccnc1[C@H]1C[NH2+]CCN1C(=O)CN1CC[NH2+]CC1 ZINC001550060572 894526039 /nfs/dbraw/zinc/52/60/39/894526039.db2.gz LDLKRGYQABTHSK-GFCCVEGCSA-N 2 1 292.387 -1.202 20 0 CAADMP C[C@@H]1OCC[NH2+][C@H]1C(=O)N1CC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC001550096578 894528525 /nfs/dbraw/zinc/52/85/25/894528525.db2.gz LPWOMWIWOMHQRZ-MVWJERBFSA-N 2 1 294.359 -1.113 20 0 CAADMP C[C@@H]1OCC[NH2+][C@@H]1C(=O)N1CC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC001550096579 894529269 /nfs/dbraw/zinc/52/92/69/894529269.db2.gz LPWOMWIWOMHQRZ-WCQGTBRESA-N 2 1 294.359 -1.113 20 0 CAADMP C[C@@H]1OCC[NH2+][C@@H]1C(=O)NCc1cn([C@H]2CC[NH2+]C2)nn1 ZINC001550087372 894529353 /nfs/dbraw/zinc/52/93/53/894529353.db2.gz RRORUSDOHWCERU-DLOVCJGASA-N 2 1 294.359 -1.194 20 0 CAADMP CN1CC[N@@H+](C)CC(C(=O)N2CC[NH+]3C[C@H](O)C[C@@H]3C2)C1 ZINC001550393297 894532837 /nfs/dbraw/zinc/53/28/37/894532837.db2.gz DWMHVYQJQRNERM-ZIAGYGMSSA-N 2 1 296.415 -1.243 20 0 CAADMP CN1CC[NH+](C)CC(C(=O)N2CC[N@@H+]3C[C@H](O)C[C@@H]3C2)C1 ZINC001550393297 894532845 /nfs/dbraw/zinc/53/28/45/894532845.db2.gz DWMHVYQJQRNERM-ZIAGYGMSSA-N 2 1 296.415 -1.243 20 0 CAADMP CN1CC[NH+](C)CC(C(=O)N2CC[N@H+]3C[C@H](O)C[C@@H]3C2)C1 ZINC001550393297 894532854 /nfs/dbraw/zinc/53/28/54/894532854.db2.gz DWMHVYQJQRNERM-ZIAGYGMSSA-N 2 1 296.415 -1.243 20 0 CAADMP CN1CC[N@@H+](C)CC(C(=O)N2CC[NH+]3C[C@@H](O)C[C@H]3C2)C1 ZINC001550393295 894533405 /nfs/dbraw/zinc/53/34/05/894533405.db2.gz DWMHVYQJQRNERM-KBPBESRZSA-N 2 1 296.415 -1.243 20 0 CAADMP CN1CC[NH+](C)CC(C(=O)N2CC[N@@H+]3C[C@@H](O)C[C@H]3C2)C1 ZINC001550393295 894533410 /nfs/dbraw/zinc/53/34/10/894533410.db2.gz DWMHVYQJQRNERM-KBPBESRZSA-N 2 1 296.415 -1.243 20 0 CAADMP CN1CC[NH+](C)CC(C(=O)N2CC[N@H+]3C[C@@H](O)C[C@H]3C2)C1 ZINC001550393295 894533413 /nfs/dbraw/zinc/53/34/13/894533413.db2.gz DWMHVYQJQRNERM-KBPBESRZSA-N 2 1 296.415 -1.243 20 0 CAADMP C[N@@H+]1CC[C@@H]2C[NH+](CC(=O)N3CCNC(=O)C3)C[C@H]2C1 ZINC001550540038 894535973 /nfs/dbraw/zinc/53/59/73/894535973.db2.gz UQBWCIJGCUFRTN-VXGBXAGGSA-N 2 1 280.372 -1.172 20 0 CAADMP C[N@H+]1CC[C@@H]2C[NH+](CC(=O)N3CCNC(=O)C3)C[C@H]2C1 ZINC001550540038 894535983 /nfs/dbraw/zinc/53/59/83/894535983.db2.gz UQBWCIJGCUFRTN-VXGBXAGGSA-N 2 1 280.372 -1.172 20 0 CAADMP C[NH+]1CC[C@@H]2C[N@H+](CC(=O)N3CCNC(=O)C3)C[C@H]2C1 ZINC001550540038 894535996 /nfs/dbraw/zinc/53/59/96/894535996.db2.gz UQBWCIJGCUFRTN-VXGBXAGGSA-N 2 1 280.372 -1.172 20 0 CAADMP C[NH+]1CC[C@@H]2C[N@@H+](CC(=O)N3CCNC(=O)C3)C[C@H]2C1 ZINC001550540038 894536008 /nfs/dbraw/zinc/53/60/08/894536008.db2.gz UQBWCIJGCUFRTN-VXGBXAGGSA-N 2 1 280.372 -1.172 20 0 CAADMP CNC(=O)[C@@]12C[N@H+]([C@@H]3C[C@H]([NH3+])C[C@@H]3O)C[C@H]1COCC2 ZINC001551405342 894536929 /nfs/dbraw/zinc/53/69/29/894536929.db2.gz ARJXUTZTKXDHKP-HNRZYHPDSA-N 2 1 283.372 -1.079 20 0 CAADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)[C@]12C[NH2+]C[C@@H]1COC2 ZINC001552203218 894546716 /nfs/dbraw/zinc/54/67/16/894546716.db2.gz WSQQZXFITJVTQV-BZPMIXESSA-N 2 1 282.388 -1.416 20 0 CAADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)[C@@]12C[NH2+]C[C@H]1COC2 ZINC001552203223 894547369 /nfs/dbraw/zinc/54/73/69/894547369.db2.gz WSQQZXFITJVTQV-OUCADQQQSA-N 2 1 282.388 -1.416 20 0 CAADMP N[C@H]1CN(C(=O)N2CCC[C@@H]3[NH2+]CC[C@@H]32)C[C@H]1[NH3+] ZINC001552959938 894557953 /nfs/dbraw/zinc/55/79/53/894557953.db2.gz IZLMBJTYQNQQAX-VLEAKVRGSA-N 2 1 253.350 -1.097 20 0 CAADMP C[N@H+]1CC[C@]2(C(=O)NCCC(N)=O)C[NH2+]C[C@@H]2C1 ZINC001553386620 894560672 /nfs/dbraw/zinc/56/06/72/894560672.db2.gz WSCJJJIMCQPOJK-SKDRFNHKSA-N 2 1 254.334 -1.481 20 0 CAADMP C[N@@H+]1CC[C@@]2(C(=O)N3CC[NH2+]CC3)C[NH2+]C[C@@H]2C1 ZINC001553348689 894560785 /nfs/dbraw/zinc/56/07/85/894560785.db2.gz LNDBAAULEKXZHX-DGCLKSJQSA-N 3 1 252.362 -1.041 20 0 CAADMP C[N@H+]1CC[C@@]2(C(=O)N3CC[NH2+]CC3)C[NH2+]C[C@@H]2C1 ZINC001553348689 894560794 /nfs/dbraw/zinc/56/07/94/894560794.db2.gz LNDBAAULEKXZHX-DGCLKSJQSA-N 3 1 252.362 -1.041 20 0 CAADMP C[N@H+]1C[C@@H](NC(=O)[C@@H]2C[C@H]3OCC[C@@H]3[NH2+]2)[C@@H](O)C1 ZINC001553430787 894563551 /nfs/dbraw/zinc/56/35/51/894563551.db2.gz VTEDQXVFVCGWGD-QUARPLMYSA-N 2 1 255.318 -1.703 20 0 CAADMP C[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[C@H]3OCC[C@@H]3[NH2+]2)[C@@H](O)C1 ZINC001553430787 894563561 /nfs/dbraw/zinc/56/35/61/894563561.db2.gz VTEDQXVFVCGWGD-QUARPLMYSA-N 2 1 255.318 -1.703 20 0 CAADMP O=C([C@@H]1C[C@@H]2OCC[C@@H]2[NH2+]1)N1CC[C@H]2[NH2+]CC(=O)N[C@H]2C1 ZINC001553428565 894563997 /nfs/dbraw/zinc/56/39/97/894563997.db2.gz MSYMOIUFGACFLD-DGORSVRFSA-N 2 1 294.355 -1.805 20 0 CAADMP C[N@H+]1C[C@@H](NC(=O)[C@@H]2C[C@H]3OCC[C@H]3[NH2+]2)[C@@H](O)C1 ZINC001553430779 894564572 /nfs/dbraw/zinc/56/45/72/894564572.db2.gz VTEDQXVFVCGWGD-NZHYYXIDSA-N 2 1 255.318 -1.703 20 0 CAADMP C[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[C@H]3OCC[C@H]3[NH2+]2)[C@@H](O)C1 ZINC001553430779 894564583 /nfs/dbraw/zinc/56/45/83/894564583.db2.gz VTEDQXVFVCGWGD-NZHYYXIDSA-N 2 1 255.318 -1.703 20 0 CAADMP O=C([C@@H]1C[C@@H]2OCC[C@H]2[NH2+]1)N1CC[C@H]2[NH2+]CC(=O)N[C@@H]2C1 ZINC001553428599 894564763 /nfs/dbraw/zinc/56/47/63/894564763.db2.gz MSYMOIUFGACFLD-ZIQFBCGOSA-N 2 1 294.355 -1.805 20 0 CAADMP C[N@H+]1C[C@@H](NC(=O)[C@@H]2C[C@@H]3OCC[C@H]3[NH2+]2)[C@@H](O)C1 ZINC001553430793 894565130 /nfs/dbraw/zinc/56/51/30/894565130.db2.gz VTEDQXVFVCGWGD-XXFSISAASA-N 2 1 255.318 -1.703 20 0 CAADMP C[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[C@@H]3OCC[C@H]3[NH2+]2)[C@@H](O)C1 ZINC001553430793 894565142 /nfs/dbraw/zinc/56/51/42/894565142.db2.gz VTEDQXVFVCGWGD-XXFSISAASA-N 2 1 255.318 -1.703 20 0 CAADMP O=C([C@@H]1C[C@@H]2OCC[C@H]2[NH2+]1)N1CC[C@H]2[NH2+]CC(=O)N[C@H]2C1 ZINC001553428581 894565260 /nfs/dbraw/zinc/56/52/60/894565260.db2.gz MSYMOIUFGACFLD-GCHJQGSQSA-N 2 1 294.355 -1.805 20 0 CAADMP C[N@H+]1C[C@@H](O)[C@H](NC(=O)C2C[NH+](C3CCOCC3)C2)C1 ZINC001553649482 894568325 /nfs/dbraw/zinc/56/83/25/894568325.db2.gz ONPJLHWYIPQHRV-CHWSQXEVSA-N 2 1 283.372 -1.112 20 0 CAADMP CN1CC[N@@H+](C)CC(C(=O)N[C@@H]2C[NH+](C)C[C@H]2O)C1 ZINC001553647656 894569023 /nfs/dbraw/zinc/56/90/23/894569023.db2.gz HDBRWJAMVTUHKQ-VXGBXAGGSA-N 2 1 270.377 -1.729 20 0 CAADMP CN1CC[NH+](C)CC(C(=O)N[C@@H]2C[N@H+](C)C[C@H]2O)C1 ZINC001553647656 894569035 /nfs/dbraw/zinc/56/90/35/894569035.db2.gz HDBRWJAMVTUHKQ-VXGBXAGGSA-N 2 1 270.377 -1.729 20 0 CAADMP CN1CC[NH+](C)CC(C(=O)N[C@@H]2C[N@@H+](C)C[C@H]2O)C1 ZINC001553647656 894569046 /nfs/dbraw/zinc/56/90/46/894569046.db2.gz HDBRWJAMVTUHKQ-VXGBXAGGSA-N 2 1 270.377 -1.729 20 0 CAADMP C[NH+](C)CCN1C(=O)C[C@@H]([N@H+]2CCC[C@@H](C(N)=O)C2)C1=O ZINC000359204698 282098205 /nfs/dbraw/zinc/09/82/05/282098205.db2.gz JGXHQRUKQGBFPN-GHMZBOCLSA-N 2 1 296.371 -1.127 20 0 CAADMP C[C@H]1OCC[NH2+][C@@H]1C(=O)N1CCN(CCO)CC1 ZINC000262428215 230228539 /nfs/dbraw/zinc/22/85/39/230228539.db2.gz SPCVLQXIRHGDGJ-MNOVXSKESA-N 2 1 257.334 -1.500 20 0 CAADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)N1CC[NH2+]CC1 ZINC000419534204 230254635 /nfs/dbraw/zinc/25/46/35/230254635.db2.gz JPSVFXKSWKTRJN-GFCCVEGCSA-N 2 1 298.387 -1.355 20 0 CAADMP O=C(NCC[N@H+]1CCCOCC1)[C@H]1C[NH2+]CCO1 ZINC000424177779 230277790 /nfs/dbraw/zinc/27/77/90/230277790.db2.gz VEVZKSGOTBZSKQ-LLVKDONJSA-N 2 1 257.334 -1.187 20 0 CAADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)NCC[NH3+])CC1 ZINC000424520849 230282444 /nfs/dbraw/zinc/28/24/44/230282444.db2.gz LBYQQKPXMFBONM-UHFFFAOYSA-N 2 1 286.376 -1.370 20 0 CAADMP C[NH+](C)C[C@@H]1CN(C(=O)[C@H]2COCC[NH2+]2)CCO1 ZINC000424181428 230278496 /nfs/dbraw/zinc/27/84/96/230278496.db2.gz RGCHGULVLJCSFZ-GHMZBOCLSA-N 2 1 257.334 -1.236 20 0 CAADMP O[C@@H]1C[NH+](CCCCC[N@H+]2C[C@@H](O)[C@@H](O)C2)C[C@@H]1O ZINC000444710246 230337392 /nfs/dbraw/zinc/33/73/92/230337392.db2.gz USGZRCGDMMGZDG-MPZDIEGVSA-N 2 1 274.361 -1.769 20 0 CAADMP CO[C@@H](C[NH3+])CC(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000447436721 230341675 /nfs/dbraw/zinc/34/16/75/230341675.db2.gz XGENUSLYKFNNDJ-LLVKDONJSA-N 2 1 286.376 -1.370 20 0 CAADMP C[NH+](C)CCOCCNC(=O)NC[C@]1(O)CC[N@@H+](C)C1 ZINC000471651867 230354524 /nfs/dbraw/zinc/35/45/24/230354524.db2.gz HAWMYDZVUQOOPH-CYBMUJFWSA-N 2 1 288.392 -1.070 20 0 CAADMP C[NH+](C)CCOCCNC(=O)NC[C@@]1(O)CC[N@@H+](C)C1 ZINC000471651868 230355252 /nfs/dbraw/zinc/35/52/52/230355252.db2.gz HAWMYDZVUQOOPH-ZDUSSCGKSA-N 2 1 288.392 -1.070 20 0 CAADMP C[NH+]1CCN(c2ncc(C[NH2+]C[C@@H](O)CO)cn2)CC1 ZINC000347497679 529778074 /nfs/dbraw/zinc/77/80/74/529778074.db2.gz FIZZRPXHMLETCX-GFCCVEGCSA-N 2 1 281.360 -1.329 20 0 CAADMP C[N@H+]1CC[C@H]2CCN(C(=O)C(=O)N3CC[NH2+]CC3)[C@H]2C1 ZINC000423558005 529807346 /nfs/dbraw/zinc/80/73/46/529807346.db2.gz IVGXHFASTVPLOQ-RYUDHWBXSA-N 2 1 280.372 -1.029 20 0 CAADMP CNC(=O)NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000221175087 529880377 /nfs/dbraw/zinc/88/03/77/529880377.db2.gz MSEJZNJFMWANGF-NXEZZACHSA-N 2 1 299.375 -1.383 20 0 CAADMP CNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000221175144 529880649 /nfs/dbraw/zinc/88/06/49/529880649.db2.gz MSEJZNJFMWANGF-VHSXEESVSA-N 2 1 299.375 -1.383 20 0 CAADMP C[N@@H+](CCC(=O)N1CCOCC1)CC(=O)N1CC[NH2+]CC1 ZINC000430640271 529870565 /nfs/dbraw/zinc/87/05/65/529870565.db2.gz QTFBJHJBTFUSOI-UHFFFAOYSA-N 2 1 298.387 -1.401 20 0 CAADMP CN(C)C(=O)C[N@@H+](C)CCC(=O)N1CC[NH2+]CC1 ZINC000053298620 529870682 /nfs/dbraw/zinc/87/06/82/529870682.db2.gz CBRJKNOIIREOKT-UHFFFAOYSA-N 2 1 256.350 -1.172 20 0 CAADMP C[N@H+](CCn1cncn1)CC(=O)N1CC[NH2+]CC1 ZINC000261553413 529940743 /nfs/dbraw/zinc/94/07/43/529940743.db2.gz AHTSUAICKFWJDT-UHFFFAOYSA-N 2 1 252.322 -1.358 20 0 CAADMP C[N@@H+](CCn1cncn1)CC(=O)N1CC[NH2+]CC1 ZINC000261553413 529940745 /nfs/dbraw/zinc/94/07/45/529940745.db2.gz AHTSUAICKFWJDT-UHFFFAOYSA-N 2 1 252.322 -1.358 20 0 CAADMP CN(C[C@H]1CCC[N@H+]1C)C(=O)C(=O)N1CC[NH2+]CC1 ZINC000423731341 529965973 /nfs/dbraw/zinc/96/59/73/529965973.db2.gz XTRRLUKBLSEHRP-LLVKDONJSA-N 2 1 268.361 -1.029 20 0 CAADMP C[NH2+]CCNC(=O)C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000419876351 529973924 /nfs/dbraw/zinc/97/39/24/529973924.db2.gz PEIGUKFKOLNJGH-UHFFFAOYSA-N 2 1 268.361 -1.124 20 0 CAADMP C[C@H](O)C[N@H+]1CCN(C(=O)CNC(=O)C[NH3+])C[C@H]1C ZINC000347671991 290091610 /nfs/dbraw/zinc/09/16/10/290091610.db2.gz BEMALLDSBLYXTJ-ZJUUUORDSA-N 2 1 272.349 -2.025 20 0 CAADMP C[NH+]1CCN(C(=O)CCNC(=O)COC2C[NH2+]C2)CC1 ZINC000430755988 530067156 /nfs/dbraw/zinc/06/71/56/530067156.db2.gz KJJHSSRRXIQUTM-UHFFFAOYSA-N 2 1 284.360 -1.745 20 0 CAADMP C[NH+]1CCN(C(=O)CCNC(=O)C[C@@H]2COCC[NH2+]2)CC1 ZINC000262467664 530067161 /nfs/dbraw/zinc/06/71/61/530067161.db2.gz XYWKSNIRASPPMB-GFCCVEGCSA-N 2 1 298.387 -1.355 20 0 CAADMP C[NH+]1CCN(C(=O)CC[N@@H+]2[C@@H](CO)CC[C@H]2CO)CC1 ZINC000347294522 530067256 /nfs/dbraw/zinc/06/72/56/530067256.db2.gz DOTCIPKMDNGJIQ-BETUJISGSA-N 2 1 285.388 -1.032 20 0 CAADMP C[NH+]1CCN(C(=O)CC[N@H+]2[C@@H](CO)CC[C@H]2CO)CC1 ZINC000347294522 530067257 /nfs/dbraw/zinc/06/72/57/530067257.db2.gz DOTCIPKMDNGJIQ-BETUJISGSA-N 2 1 285.388 -1.032 20 0 CAADMP C[NH+]1CCN(C(=O)CCNC(=O)C2(C)C[NH2+]C2)CC1 ZINC000423332293 530067388 /nfs/dbraw/zinc/06/73/88/530067388.db2.gz QSPMVOGGWCMCTM-UHFFFAOYSA-N 2 1 268.361 -1.124 20 0 CAADMP C[NH+]1CCN(C(=O)CC[NH+]2[C@@H](CO)CC[C@@H]2CO)CC1 ZINC000347294524 530067423 /nfs/dbraw/zinc/06/74/23/530067423.db2.gz DOTCIPKMDNGJIQ-CHWSQXEVSA-N 2 1 285.388 -1.032 20 0 CAADMP C[NH+]1CCN(C(=O)Cn2cc(NC(=O)CC[NH3+])cn2)CC1 ZINC000430870202 530068627 /nfs/dbraw/zinc/06/86/27/530068627.db2.gz SPWQFLPWWSIESG-UHFFFAOYSA-N 2 1 294.359 -1.056 20 0 CAADMP C[N@H+]1CC[C@@H]2OCCN(C(=O)[C@H]3C[NH2+]CCO3)[C@@H]2C1 ZINC000424186719 290166688 /nfs/dbraw/zinc/16/66/88/290166688.db2.gz TVUCXPWGTADKGH-GRYCIOLGSA-N 2 1 269.345 -1.094 20 0 CAADMP C[C@H](C(=O)N[C@@H](CO)C[NH+](C)C)N1CC[NH+](C)CC1 ZINC000673520949 545595276 /nfs/dbraw/zinc/59/52/76/545595276.db2.gz MIJPWNYOUKXUCV-VXGBXAGGSA-N 2 1 272.393 -1.339 20 0 CAADMP NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)[C@H]2COCC[NH2+]2)C1 ZINC000430888947 283348376 /nfs/dbraw/zinc/34/83/76/283348376.db2.gz ZXTBJLSKKCDLNK-NWDGAFQWSA-N 2 1 298.387 -1.322 20 0 CAADMP NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)[C@H]2COCC[NH2+]2)C1 ZINC000430888947 283348377 /nfs/dbraw/zinc/34/83/77/283348377.db2.gz ZXTBJLSKKCDLNK-NWDGAFQWSA-N 2 1 298.387 -1.322 20 0 CAADMP C[NH+](C)CCC(=O)N1CC[C@@H]([N@H+](C)CC(=O)NC(N)=O)C1 ZINC001192159874 781936385 /nfs/dbraw/zinc/93/63/85/781936385.db2.gz AIDYGWGWTYZILZ-SNVBAGLBSA-N 2 1 299.375 -1.334 20 0 CAADMP C[NH+](C)CCC(=O)N1CC[C@@H]([N@@H+](C)CC(=O)NC(N)=O)C1 ZINC001192159874 781936399 /nfs/dbraw/zinc/93/63/99/781936399.db2.gz AIDYGWGWTYZILZ-SNVBAGLBSA-N 2 1 299.375 -1.334 20 0 CAADMP C[C@@H]([NH3+])C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000186665773 296014269 /nfs/dbraw/zinc/01/42/69/296014269.db2.gz QPZNUWWBYPPFNI-NXEZZACHSA-N 2 1 254.334 -1.244 20 0 CAADMP COCC[N@@H+](C)C[C@@H](O)CN(C)[C@@H]1COC[C@H]1O ZINC000574337765 335011831 /nfs/dbraw/zinc/01/18/31/335011831.db2.gz WULOQNMUAJOYBY-IJLUTSLNSA-N 2 1 262.350 -1.383 20 0 CAADMP COCCN(C)C[C@@H](O)C[N@H+](C)[C@@H]1COC[C@H]1O ZINC000574337765 335011833 /nfs/dbraw/zinc/01/18/33/335011833.db2.gz WULOQNMUAJOYBY-IJLUTSLNSA-N 2 1 262.350 -1.383 20 0 CAADMP COCCN(C)C[C@@H](O)C[N@@H+](C)[C@@H]1COC[C@H]1O ZINC000574337765 335011834 /nfs/dbraw/zinc/01/18/34/335011834.db2.gz WULOQNMUAJOYBY-IJLUTSLNSA-N 2 1 262.350 -1.383 20 0 CAADMP COCC[N@@H+](C)CCNC(=O)C(=O)N[C@H](C)C[C@H](C)[NH3+] ZINC000584053733 372817048 /nfs/dbraw/zinc/81/70/48/372817048.db2.gz WGIBBGAPPAXSMM-WDEREUQCSA-N 2 1 288.392 -1.077 20 0 CAADMP C[C@H]1OCC[NH2+][C@@H]1C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000565550594 372836871 /nfs/dbraw/zinc/83/68/71/372836871.db2.gz SJZPWKCFJAWDIP-YTWAJWBKSA-N 2 1 282.344 -1.866 20 0 CAADMP COCC[N@@H+](C)C[C@@H](O)CN1CC[NH+](CCO)C[C@H]1C ZINC000568181078 372838722 /nfs/dbraw/zinc/83/87/22/372838722.db2.gz JUZRRWPTCJCDKB-ZIAGYGMSSA-N 2 1 289.420 -1.076 20 0 CAADMP COCC[NH+](C)C[C@@H](O)CN1CC[N@H+](CCO)C[C@H]1C ZINC000568181078 372838732 /nfs/dbraw/zinc/83/87/32/372838732.db2.gz JUZRRWPTCJCDKB-ZIAGYGMSSA-N 2 1 289.420 -1.076 20 0 CAADMP COCC[NH+](C)C[C@@H](O)CN1CC[N@@H+](CCO)C[C@H]1C ZINC000568181078 372838735 /nfs/dbraw/zinc/83/87/35/372838735.db2.gz JUZRRWPTCJCDKB-ZIAGYGMSSA-N 2 1 289.420 -1.076 20 0 CAADMP COCC[N@@H+](C)C[C@H](O)CN1CC[NH+](CCO)C[C@H]1C ZINC000568181076 372839825 /nfs/dbraw/zinc/83/98/25/372839825.db2.gz JUZRRWPTCJCDKB-KGLIPLIRSA-N 2 1 289.420 -1.076 20 0 CAADMP COCC[NH+](C)C[C@H](O)CN1CC[N@H+](CCO)C[C@H]1C ZINC000568181076 372839831 /nfs/dbraw/zinc/83/98/31/372839831.db2.gz JUZRRWPTCJCDKB-KGLIPLIRSA-N 2 1 289.420 -1.076 20 0 CAADMP COCC[NH+](C)C[C@H](O)CN1CC[N@@H+](CCO)C[C@H]1C ZINC000568181076 372839840 /nfs/dbraw/zinc/83/98/40/372839840.db2.gz JUZRRWPTCJCDKB-KGLIPLIRSA-N 2 1 289.420 -1.076 20 0 CAADMP O[C@H](CN1CCOCC1)C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000311017649 372843868 /nfs/dbraw/zinc/84/38/68/372843868.db2.gz LBIFMAFSIXLLDC-FRRDWIJNSA-N 2 1 255.362 -1.169 20 0 CAADMP C[N@H+](CCN1CC[NH2+]CC1)CC(=O)NC(=O)NC1CC1 ZINC000071150345 372844746 /nfs/dbraw/zinc/84/47/46/372844746.db2.gz GXZCLTBJNMQNCD-UHFFFAOYSA-N 2 1 283.376 -1.188 20 0 CAADMP C[N@@H+](CCN1CC[NH2+]CC1)CC(=O)NC(=O)NC1CC1 ZINC000071150345 372844754 /nfs/dbraw/zinc/84/47/54/372844754.db2.gz GXZCLTBJNMQNCD-UHFFFAOYSA-N 2 1 283.376 -1.188 20 0 CAADMP CC[N@H+](C)C[C@@H](O)C[NH+]1C[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC000518560280 372888159 /nfs/dbraw/zinc/88/81/59/372888159.db2.gz WYFYJRZOOFVNRQ-BBBLOLIVSA-N 2 1 255.318 -1.497 20 0 CAADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1C[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC000518560280 372888168 /nfs/dbraw/zinc/88/81/68/372888168.db2.gz WYFYJRZOOFVNRQ-BBBLOLIVSA-N 2 1 255.318 -1.497 20 0 CAADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1C[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC000518560280 372888176 /nfs/dbraw/zinc/88/81/76/372888176.db2.gz WYFYJRZOOFVNRQ-BBBLOLIVSA-N 2 1 255.318 -1.497 20 0 CAADMP CC[NH+](C)C[C@@H](O)C[N@H+]1C[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC000518560280 372888185 /nfs/dbraw/zinc/88/81/85/372888185.db2.gz WYFYJRZOOFVNRQ-BBBLOLIVSA-N 2 1 255.318 -1.497 20 0 CAADMP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)N1CC[NH2+]C[C@H]1C(F)F ZINC000518537236 372888201 /nfs/dbraw/zinc/88/82/01/372888201.db2.gz ZVRDYSRITBKMMG-IUCAKERBSA-N 2 1 290.314 -1.080 20 0 CAADMP CCN(CC[NH3+])C(=O)C(=O)N[C@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC000627355961 372895055 /nfs/dbraw/zinc/89/50/55/372895055.db2.gz VAIDSVKSWUMJJT-MNOVXSKESA-N 2 1 286.376 -1.371 20 0 CAADMP CCN(CC[NH3+])C(=O)C(=O)N[C@H](C)[C@@H]1C[N@@H+](C)CCO1 ZINC000627355961 372895060 /nfs/dbraw/zinc/89/50/60/372895060.db2.gz VAIDSVKSWUMJJT-MNOVXSKESA-N 2 1 286.376 -1.371 20 0 CAADMP CC[N@H+](C)C[C@H](O)C[NH+]1C[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC000518560281 372886137 /nfs/dbraw/zinc/88/61/37/372886137.db2.gz WYFYJRZOOFVNRQ-LPEHRKFASA-N 2 1 255.318 -1.497 20 0 CAADMP CC[N@@H+](C)C[C@H](O)C[NH+]1C[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC000518560281 372886143 /nfs/dbraw/zinc/88/61/43/372886143.db2.gz WYFYJRZOOFVNRQ-LPEHRKFASA-N 2 1 255.318 -1.497 20 0 CAADMP CC[NH+](C)C[C@H](O)C[N@@H+]1C[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC000518560281 372886149 /nfs/dbraw/zinc/88/61/49/372886149.db2.gz WYFYJRZOOFVNRQ-LPEHRKFASA-N 2 1 255.318 -1.497 20 0 CAADMP CC[NH+](C)C[C@H](O)C[N@H+]1C[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC000518560281 372886153 /nfs/dbraw/zinc/88/61/53/372886153.db2.gz WYFYJRZOOFVNRQ-LPEHRKFASA-N 2 1 255.318 -1.497 20 0 CAADMP O=C(CNC(=O)[C@H]1CCC[NH2+]1)N1CC[NH2+]C[C@@H]1C(F)F ZINC000518537237 372887105 /nfs/dbraw/zinc/88/71/05/372887105.db2.gz ZVRDYSRITBKMMG-RKDXNWHRSA-N 2 1 290.314 -1.080 20 0 CAADMP [NH3+]CC(=O)NCC(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000037628371 372904698 /nfs/dbraw/zinc/90/46/98/372904698.db2.gz RASZEDURKWUORI-UWVGGRQHSA-N 2 1 254.334 -1.196 20 0 CAADMP C[NH+]1CCN(C(=O)CC[N@@H+]2C[C@H](O)C[C@H]2CO)CC1 ZINC000338282426 372904815 /nfs/dbraw/zinc/90/48/15/372904815.db2.gz HUZLCWAOZBDPIX-NWDGAFQWSA-N 2 1 271.361 -1.422 20 0 CAADMP C[NH+]1CCN(C(=O)CC[N@H+]2C[C@H](O)C[C@H]2CO)CC1 ZINC000338282426 372904822 /nfs/dbraw/zinc/90/48/22/372904822.db2.gz HUZLCWAOZBDPIX-NWDGAFQWSA-N 2 1 271.361 -1.422 20 0 CAADMP CC[NH+](CC)CCOCCNc1nc(N)nc(N)[nH+]1 ZINC000624100270 372906184 /nfs/dbraw/zinc/90/61/84/372906184.db2.gz ODXPGMRANHNTAO-UHFFFAOYSA-N 2 1 269.353 -1.111 20 0 CAADMP C[NH+]1CCN(C(=O)CC[N@@H+]2C[C@@H](O)C[C@H]2CO)CC1 ZINC000338282428 372906298 /nfs/dbraw/zinc/90/62/98/372906298.db2.gz HUZLCWAOZBDPIX-RYUDHWBXSA-N 2 1 271.361 -1.422 20 0 CAADMP C[NH+]1CCN(C(=O)CC[N@H+]2C[C@@H](O)C[C@H]2CO)CC1 ZINC000338282428 372906304 /nfs/dbraw/zinc/90/63/04/372906304.db2.gz HUZLCWAOZBDPIX-RYUDHWBXSA-N 2 1 271.361 -1.422 20 0 CAADMP [NH3+]CC(=O)NCC(=O)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000037812792 372910187 /nfs/dbraw/zinc/91/01/87/372910187.db2.gz NRJQWJNHZQRGGG-SNVBAGLBSA-N 2 1 254.334 -1.242 20 0 CAADMP CN1CCN(C(=O)CC[N@H+]2CCO[C@H](CC(N)=O)C2)CC1 ZINC000626077649 372917839 /nfs/dbraw/zinc/91/78/39/372917839.db2.gz OBFWIMIUJGBTNJ-GFCCVEGCSA-N 2 1 298.387 -1.273 20 0 CAADMP NC(=O)NC(=O)CC[NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000572714733 372962121 /nfs/dbraw/zinc/96/21/21/372962121.db2.gz WOSWYRHMSVZPHH-SNVBAGLBSA-N 2 1 299.375 -1.252 20 0 CAADMP CN(CCC[NH3+])C(=O)C(=O)NCCC[NH+]1CCOCC1 ZINC000570584184 372998336 /nfs/dbraw/zinc/99/83/36/372998336.db2.gz WMNKNHOPRPTDCD-UHFFFAOYSA-N 2 1 286.376 -1.368 20 0 CAADMP [NH3+][C@@H]1C[C@H]2CN(C(=O)[C@H]3CSC[NH2+]3)CCN2C1=O ZINC000570582591 372998444 /nfs/dbraw/zinc/99/84/44/372998444.db2.gz BBNVOFMAWCCWKU-DJLDLDEBSA-N 2 1 270.358 -1.581 20 0 CAADMP CN1CCN(C(=O)NCC(F)(F)C[NH3+])[C@@H](C[NH3+])C1 ZINC000574426983 335019064 /nfs/dbraw/zinc/01/90/64/335019064.db2.gz VUQYGKUDEQSYLV-QMMMGPOBSA-N 3 1 265.308 -1.135 20 0 CAADMP CO[C@H](C[NH3+])CC(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000570926857 373004546 /nfs/dbraw/zinc/00/45/46/373004546.db2.gz MMPRDCGXXVPNIR-NEPJUHHUSA-N 2 1 298.387 -1.227 20 0 CAADMP CO[C@@H](C[NH3+])CC(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000570926858 373004742 /nfs/dbraw/zinc/00/47/42/373004742.db2.gz MMPRDCGXXVPNIR-NWDGAFQWSA-N 2 1 298.387 -1.227 20 0 CAADMP C[N@H+](C[C@@H](O)C[NH2+]CCCN1C(=O)CNC1=O)C1CC1 ZINC000570082330 372988378 /nfs/dbraw/zinc/98/83/78/372988378.db2.gz IVKAPIYMADHNRD-NSHDSACASA-N 2 1 284.360 -1.027 20 0 CAADMP C[N@@H+](C[C@@H](O)C[NH2+]CCCN1C(=O)CNC1=O)C1CC1 ZINC000570082330 372988381 /nfs/dbraw/zinc/98/83/81/372988381.db2.gz IVKAPIYMADHNRD-NSHDSACASA-N 2 1 284.360 -1.027 20 0 CAADMP C[N@H+](CCC(=O)N1CC[NH2+]CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000019685420 373038265 /nfs/dbraw/zinc/03/82/65/373038265.db2.gz JLDPHRJJNICFQM-LLVKDONJSA-N 2 1 289.401 -1.073 20 0 CAADMP C[N@@H+](CCC(=O)N1CC[NH2+]CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000019685420 373038271 /nfs/dbraw/zinc/03/82/71/373038271.db2.gz JLDPHRJJNICFQM-LLVKDONJSA-N 2 1 289.401 -1.073 20 0 CAADMP COC(=O)C[C@H]([NH3+])C(=O)N(C)CC(=O)N1CC[NH2+]CC1 ZINC000591898176 373062137 /nfs/dbraw/zinc/06/21/37/373062137.db2.gz BGBKUGCRAYDZMU-VIFPVBQESA-N 2 1 286.332 -2.233 20 0 CAADMP CNC(=O)NC(=O)CC[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000594875331 373104614 /nfs/dbraw/zinc/10/46/14/373104614.db2.gz AZIFHXSOYLVRSN-IUCAKERBSA-N 2 1 283.332 -1.924 20 0 CAADMP CNC(=O)NC(=O)CC[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000594875331 373104619 /nfs/dbraw/zinc/10/46/19/373104619.db2.gz AZIFHXSOYLVRSN-IUCAKERBSA-N 2 1 283.332 -1.924 20 0 CAADMP CNC(=O)NC(=O)CC[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000594875329 373105497 /nfs/dbraw/zinc/10/54/97/373105497.db2.gz AZIFHXSOYLVRSN-BDAKNGLRSA-N 2 1 283.332 -1.924 20 0 CAADMP CNC(=O)NC(=O)CC[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000594875329 373105498 /nfs/dbraw/zinc/10/54/98/373105498.db2.gz AZIFHXSOYLVRSN-BDAKNGLRSA-N 2 1 283.332 -1.924 20 0 CAADMP COC[C@H](C[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1)OC ZINC000594876226 373105554 /nfs/dbraw/zinc/10/55/54/373105554.db2.gz KKADFZBEAAYVQU-GARJFASQSA-N 2 1 257.334 -1.108 20 0 CAADMP COC[C@H](C[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1)OC ZINC000594876226 373105555 /nfs/dbraw/zinc/10/55/55/373105555.db2.gz KKADFZBEAAYVQU-GARJFASQSA-N 2 1 257.334 -1.108 20 0 CAADMP [NH3+]CC(F)(F)CC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000594878980 373106572 /nfs/dbraw/zinc/10/65/72/373106572.db2.gz KRRUXOLTXJOBPL-JGVFFNPUSA-N 2 1 276.287 -1.259 20 0 CAADMP NC(=O)NC(=O)C[N@@H+]1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000592486182 373071978 /nfs/dbraw/zinc/07/19/78/373071978.db2.gz XWGPDDOANHKYLL-SECBINFHSA-N 2 1 285.348 -1.499 20 0 CAADMP NC(=O)NC(=O)C[N@H+]1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000592486182 373071983 /nfs/dbraw/zinc/07/19/83/373071983.db2.gz XWGPDDOANHKYLL-SECBINFHSA-N 2 1 285.348 -1.499 20 0 CAADMP COC(=O)[C@@H]1CN(c2nc(N)[nH+]c(N)n2)CC[N@H+](C)C1 ZINC000599086637 373166744 /nfs/dbraw/zinc/16/67/44/373166744.db2.gz QWLXYHSLJKWKSR-ZETCQYMHSA-N 2 1 281.320 -1.762 20 0 CAADMP COC(=O)[C@@H]1CN(c2nc(N)[nH+]c(N)n2)CC[N@@H+](C)C1 ZINC000599086637 373166751 /nfs/dbraw/zinc/16/67/51/373166751.db2.gz QWLXYHSLJKWKSR-ZETCQYMHSA-N 2 1 281.320 -1.762 20 0 CAADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)O1 ZINC000602524568 373199603 /nfs/dbraw/zinc/19/96/03/373199603.db2.gz LUQALKULZSKRNM-DDHJBXDOSA-N 2 1 296.371 -1.524 20 0 CAADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)O1 ZINC000602524568 373199610 /nfs/dbraw/zinc/19/96/10/373199610.db2.gz LUQALKULZSKRNM-DDHJBXDOSA-N 2 1 296.371 -1.524 20 0 CAADMP C[NH+](C)C[C@]1(O)CCC[N@H+](CCC(=O)NC(N)=O)C1 ZINC000602891482 373205849 /nfs/dbraw/zinc/20/58/49/373205849.db2.gz NPISXWBDMMKGGT-GFCCVEGCSA-N 2 1 272.349 -1.040 20 0 CAADMP C[NH+](C)C[C@]1(O)CCC[N@@H+](CCC(=O)NC(N)=O)C1 ZINC000602891482 373205856 /nfs/dbraw/zinc/20/58/56/373205856.db2.gz NPISXWBDMMKGGT-GFCCVEGCSA-N 2 1 272.349 -1.040 20 0 CAADMP C[NH+](C)C[C@@]1(O)CCC[N@H+](CCC(=O)NC(N)=O)C1 ZINC000602891483 373206511 /nfs/dbraw/zinc/20/65/11/373206511.db2.gz NPISXWBDMMKGGT-LBPRGKRZSA-N 2 1 272.349 -1.040 20 0 CAADMP C[NH+](C)C[C@@]1(O)CCC[N@@H+](CCC(=O)NC(N)=O)C1 ZINC000602891483 373206523 /nfs/dbraw/zinc/20/65/23/373206523.db2.gz NPISXWBDMMKGGT-LBPRGKRZSA-N 2 1 272.349 -1.040 20 0 CAADMP C[NH+]1CCN(C(=O)CC[NH+]2C[C@H](O)[C@@H](O)C2)CC1 ZINC000338341832 373277574 /nfs/dbraw/zinc/27/75/74/373277574.db2.gz FTXZKEHXASXOFO-QWRGUYRKSA-N 2 1 257.334 -1.812 20 0 CAADMP C[N@@H+](CCNS(=O)(=O)C[C@H]1C[NH2+]CCO1)C1CC1 ZINC000310979290 373268299 /nfs/dbraw/zinc/26/82/99/373268299.db2.gz STISEEZAPUTKLM-LLVKDONJSA-N 2 1 277.390 -1.012 20 0 CAADMP C[N@@H+](CCNS(=O)(=O)C[C@@H]1C[NH2+]CCO1)C1CC1 ZINC000310979292 373269074 /nfs/dbraw/zinc/26/90/74/373269074.db2.gz STISEEZAPUTKLM-NSHDSACASA-N 2 1 277.390 -1.012 20 0 CAADMP CN(C)S(=O)(=O)CC[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000311669862 373299410 /nfs/dbraw/zinc/29/94/10/373299410.db2.gz LKELXGCYRRZHKD-LBPRGKRZSA-N 2 1 290.433 -1.143 20 0 CAADMP COCC[N@H+]1CC[C@@H](Nc2nc(N)[nH+]c(N)n2)C1 ZINC000623955027 373302384 /nfs/dbraw/zinc/30/23/84/373302384.db2.gz JPHHNYNKMQOGJJ-SSDOTTSWSA-N 2 1 253.310 -1.749 20 0 CAADMP C[NH+]1CCN(C(=O)CCNC(=O)[C@@]2(C)C[NH2+]CCO2)CC1 ZINC000638065490 373375818 /nfs/dbraw/zinc/37/58/18/373375818.db2.gz VMWPTNLQYJQRSZ-CQSZACIVSA-N 2 1 298.387 -1.355 20 0 CAADMP C[N@H+]1CC[C@@H](CC(=O)NCC(=O)N2CC[NH2+]CC2)C1 ZINC000637813128 373351240 /nfs/dbraw/zinc/35/12/40/373351240.db2.gz KHXBJDPQVZJMDW-NSHDSACASA-N 2 1 268.361 -1.124 20 0 CAADMP [NH3+][C@@H]1CCO[C@@H]1C(=O)NCC[N@H+]1CCCOCC1 ZINC000638295949 373409185 /nfs/dbraw/zinc/40/91/85/373409185.db2.gz ZZPYARALDWBINM-MNOVXSKESA-N 2 1 257.334 -1.059 20 0 CAADMP O=C(CN1CC[NH2+]CC1)NCC[N@H+]1CCCOCC1 ZINC000638293498 373409270 /nfs/dbraw/zinc/40/92/70/373409270.db2.gz KRUWXBYTZXNDHO-UHFFFAOYSA-N 2 1 270.377 -1.270 20 0 CAADMP C[C@@]1(C(=O)NC[C@@H]2C[N@H+]3CCN2CCC3)C[NH2+]CCO1 ZINC000638427958 373423134 /nfs/dbraw/zinc/42/31/34/373423134.db2.gz XXETUGAAZCJNQV-OCCSQVGLSA-N 2 1 282.388 -1.129 20 0 CAADMP [NH3+][C@@H]1CCO[C@@H]1C(=O)NC[C@@H]1C[N@H+]2CCN1CCC2 ZINC000638424300 373423240 /nfs/dbraw/zinc/42/32/40/373423240.db2.gz HANOLAGSHDCFSD-UTUOFQBUSA-N 2 1 268.361 -1.391 20 0 CAADMP C[C@]1(C(=O)NC[C@@H]2C[N@H+]3CCN2CCC3)C[NH2+]CCO1 ZINC000638427959 373423586 /nfs/dbraw/zinc/42/35/86/373423586.db2.gz XXETUGAAZCJNQV-TZMCWYRMSA-N 2 1 282.388 -1.129 20 0 CAADMP COCC[N@@H+](C)CCCNC(=O)CN1CC[NH2+]CC1 ZINC000638072773 373379642 /nfs/dbraw/zinc/37/96/42/373379642.db2.gz VQRKWSQNHRXRDR-UHFFFAOYSA-N 2 1 272.393 -1.024 20 0 CAADMP CC1(OCC(=O)NCCC[N@H+]2CCC[C@H]2C(N)=O)C[NH2+]C1 ZINC000638497791 373429074 /nfs/dbraw/zinc/42/90/74/373429074.db2.gz PCKPVTHUWWXNNN-NSHDSACASA-N 2 1 298.387 -1.179 20 0 CAADMP COCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2OCC[C@@H]2[NH3+])C1 ZINC000638101394 373385708 /nfs/dbraw/zinc/38/57/08/373385708.db2.gz PLAMMXMQXBATFP-OUAUKWLOSA-N 2 1 257.334 -1.061 20 0 CAADMP C[C@@H](CNC(=O)CN1CC[NH2+]CC1)CN1CC[NH+](C)CC1 ZINC000638137192 373389166 /nfs/dbraw/zinc/38/91/66/373389166.db2.gz GUJCEAYCQKUCGB-AWEZNQCLSA-N 2 1 297.447 -1.109 20 0 CAADMP [NH3+][C@@H]1CCO[C@@H]1C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000638174061 373394630 /nfs/dbraw/zinc/39/46/30/373394630.db2.gz NDOSZACSTUCEPI-WZRBSPASSA-N 2 1 296.371 -1.475 20 0 CAADMP CN1CCOC[C@@H]1CNC(=O)[C@]1(C)CNCCO1 ZINC000638609199 373441191 /nfs/dbraw/zinc/44/11/91/373441191.db2.gz FMEIVJRFUAVJMK-JQWIXIFHSA-N 2 1 257.334 -1.188 20 0 CAADMP CN1CCOC[C@@H]1CNC(=O)C[C@H]1COCCN1 ZINC000638609178 373443183 /nfs/dbraw/zinc/44/31/83/373443183.db2.gz FHHPECCDFCPDKX-QWRGUYRKSA-N 2 1 257.334 -1.188 20 0 CAADMP CN1CCOC[C@H]1CNC(=O)C[C@@H]1COCCN1 ZINC000638609175 373443485 /nfs/dbraw/zinc/44/34/85/373443485.db2.gz FHHPECCDFCPDKX-GHMZBOCLSA-N 2 1 257.334 -1.188 20 0 CAADMP CN1CCOC[C@H]1CNC(=O)C[C@H]1COCCN1 ZINC000638609180 373443535 /nfs/dbraw/zinc/44/35/35/373443535.db2.gz FHHPECCDFCPDKX-WDEREUQCSA-N 2 1 257.334 -1.188 20 0 CAADMP CCNC(=O)C[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000063179683 373501527 /nfs/dbraw/zinc/50/15/27/373501527.db2.gz DYXCIQWGSPIQLM-SNVBAGLBSA-N 2 1 256.350 -1.091 20 0 CAADMP C[C@@H]1OCC[NH2+][C@H]1C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000343603387 373508946 /nfs/dbraw/zinc/50/89/46/373508946.db2.gz SAGCZNBFFSFCLQ-YNEHKIRRSA-N 2 1 282.388 -1.131 20 0 CAADMP C[C@@H]1OCC[NH2+][C@@H]1C(=O)NCCCN1CC[NH2+]CC1 ZINC000343675422 373512647 /nfs/dbraw/zinc/51/26/47/373512647.db2.gz SULNGDFWENJXKZ-RYUDHWBXSA-N 2 1 270.377 -1.225 20 0 CAADMP [NH3+][C@@H]1C[C@@H]2CN(C(=O)[C@@H]3CSC[NH2+]3)CCN2C1=O ZINC000583641754 373572127 /nfs/dbraw/zinc/57/21/27/373572127.db2.gz BBNVOFMAWCCWKU-HLTSFMKQSA-N 2 1 270.358 -1.581 20 0 CAADMP [NH3+][C@@H]1CC[C@H]2C[N@H+](CC(=O)N3CCNC(=O)C3)C[C@H]12 ZINC000351482362 373572166 /nfs/dbraw/zinc/57/21/66/373572166.db2.gz ZHKDBWHSSXOSNG-GARJFASQSA-N 2 1 266.345 -1.386 20 0 CAADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](CC(=O)N3CCNC(=O)C3)C[C@H]12 ZINC000351482362 373572168 /nfs/dbraw/zinc/57/21/68/373572168.db2.gz ZHKDBWHSSXOSNG-GARJFASQSA-N 2 1 266.345 -1.386 20 0 CAADMP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)NCCC[NH+]1CCOCC1 ZINC000351545284 373574490 /nfs/dbraw/zinc/57/44/90/373574490.db2.gz WNTRYAHXXAKCTH-LBPRGKRZSA-N 2 1 298.387 -1.307 20 0 CAADMP O=C(CNC(=O)[C@H]1CCC[NH2+]1)NCCC[NH+]1CCOCC1 ZINC000351545281 373575437 /nfs/dbraw/zinc/57/54/37/373575437.db2.gz WNTRYAHXXAKCTH-GFCCVEGCSA-N 2 1 298.387 -1.307 20 0 CAADMP COCC[N@H+]1CC[C@H](NC(=O)CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000351559401 373577267 /nfs/dbraw/zinc/57/72/67/373577267.db2.gz JBXUDYBDDDCVIM-NWDGAFQWSA-N 2 1 298.387 -1.309 20 0 CAADMP COCC[N@H+]1CC[C@H](NC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000351559402 373577967 /nfs/dbraw/zinc/57/79/67/373577967.db2.gz JBXUDYBDDDCVIM-RYUDHWBXSA-N 2 1 298.387 -1.309 20 0 CAADMP O=C(N[C@H]1CC[NH2+]C1)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000582432224 373631551 /nfs/dbraw/zinc/63/15/51/373631551.db2.gz NGKRKMDTXLVBGX-NWDGAFQWSA-N 2 1 295.387 -1.046 20 0 CAADMP O=C(N[C@@H]1CC[NH2+]C1)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000627507413 373633348 /nfs/dbraw/zinc/63/33/48/373633348.db2.gz RNSWHOAXWOTGHM-OUAUKWLOSA-N 2 1 282.344 -2.258 20 0 CAADMP [NH3+]CC(F)(F)CNC(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000583752093 373640141 /nfs/dbraw/zinc/64/01/41/373640141.db2.gz QSNAPSIZHICBTC-MRVPVSSYSA-N 2 1 278.303 -1.045 20 0 CAADMP C[C@@H](C[NH3+])C(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000584408469 373640205 /nfs/dbraw/zinc/64/02/05/373640205.db2.gz CXFFJKLLMUMFPT-VIFPVBQESA-N 2 1 290.389 -1.973 20 0 CAADMP [NH3+]CC(F)(F)CNC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000583752094 373640937 /nfs/dbraw/zinc/64/09/37/373640937.db2.gz QSNAPSIZHICBTC-QMMMGPOBSA-N 2 1 278.303 -1.045 20 0 CAADMP NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)N[C@H]1CC[NH2+]C1 ZINC000584541555 373645760 /nfs/dbraw/zinc/64/57/60/373645760.db2.gz NSLQSXDYULWLQT-QWRGUYRKSA-N 2 1 283.376 -1.013 20 0 CAADMP O=C(CN1CC[NH2+]CC1)NC[C@@H]1C[N@H+]2CCN1CCC2 ZINC000394391683 373649889 /nfs/dbraw/zinc/64/98/89/373649889.db2.gz LDNFIQPYALATHE-CYBMUJFWSA-N 2 1 281.404 -1.602 20 0 CAADMP O=C(CN1CC[NH2+]CC1)NC[C@H]1C[N@H+]2CCN1CCC2 ZINC000394391684 373650156 /nfs/dbraw/zinc/65/01/56/373650156.db2.gz LDNFIQPYALATHE-ZDUSSCGKSA-N 2 1 281.404 -1.602 20 0 CAADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)[C@H](N)CC(N)=O)C1 ZINC000353083042 373601282 /nfs/dbraw/zinc/60/12/82/373601282.db2.gz CYYCIEXIHMCUSV-GHMZBOCLSA-N 2 1 286.376 -1.338 20 0 CAADMP C[NH+]1CCN(C(=O)CC[N@@H+]2C[C@H](O)C[C@]2(C)CO)CC1 ZINC000639851073 373615570 /nfs/dbraw/zinc/61/55/70/373615570.db2.gz YWONMJULOPOSJG-TZMCWYRMSA-N 2 1 285.388 -1.032 20 0 CAADMP C[NH+]1CCN(C(=O)CC[N@H+]2C[C@H](O)C[C@]2(C)CO)CC1 ZINC000639851073 373615579 /nfs/dbraw/zinc/61/55/79/373615579.db2.gz YWONMJULOPOSJG-TZMCWYRMSA-N 2 1 285.388 -1.032 20 0 CAADMP C[N@H+](C[C@@H](O)C[NH2+]CCN1C(=O)CNC1=O)C1CC1 ZINC000564078148 373668078 /nfs/dbraw/zinc/66/80/78/373668078.db2.gz PQQRLCIQKKBAGV-JTQLQIEISA-N 2 1 270.333 -1.417 20 0 CAADMP C[N@@H+](C[C@@H](O)C[NH2+]CCN1C(=O)CNC1=O)C1CC1 ZINC000564078148 373668086 /nfs/dbraw/zinc/66/80/86/373668086.db2.gz PQQRLCIQKKBAGV-JTQLQIEISA-N 2 1 270.333 -1.417 20 0 CAADMP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)NCC[NH3+] ZINC000419824654 373670516 /nfs/dbraw/zinc/67/05/16/373670516.db2.gz ZUHIMQDTFIBQBG-JTQLQIEISA-N 2 1 256.350 -1.140 20 0 CAADMP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)NCC[NH3+] ZINC000419824654 373670526 /nfs/dbraw/zinc/67/05/26/373670526.db2.gz ZUHIMQDTFIBQBG-JTQLQIEISA-N 2 1 256.350 -1.140 20 0 CAADMP C[C@@H](C(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1)N1CC[NH+](C)CC1 ZINC000572079945 373678155 /nfs/dbraw/zinc/67/81/55/373678155.db2.gz ASMTYMLIKJGCAX-AVGNSLFASA-N 2 1 284.404 -1.244 20 0 CAADMP C[C@@H]1CN(C(=O)C(=O)N2CCO[C@H](C[NH3+])C2)C[C@H](C)[N@H+]1C ZINC000423701237 373692911 /nfs/dbraw/zinc/69/29/11/373692911.db2.gz VFTATMHJKQVMHD-GRYCIOLGSA-N 2 1 298.387 -1.277 20 0 CAADMP C[C@@H]1CN(C(=O)C(=O)N2CCO[C@H](C[NH3+])C2)C[C@H](C)[N@@H+]1C ZINC000423701237 373692919 /nfs/dbraw/zinc/69/29/19/373692919.db2.gz VFTATMHJKQVMHD-GRYCIOLGSA-N 2 1 298.387 -1.277 20 0 CAADMP C[NH2+]CCOCC[N@@H+](C)CCN1C(=O)CNC1=O ZINC000629570625 373776984 /nfs/dbraw/zinc/77/69/84/373776984.db2.gz FJNWAGBJHUUJCC-UHFFFAOYSA-N 2 1 258.322 -1.294 20 0 CAADMP O=C(C(=O)N1CC[N@H+]2CCC[C@@H]2C1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000643513461 373734594 /nfs/dbraw/zinc/73/45/94/373734594.db2.gz WVNOJYAHRKAXIO-FRRDWIJNSA-N 2 1 292.383 -1.029 20 0 CAADMP COCC[NH2+]CC(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O ZINC000430902566 373739643 /nfs/dbraw/zinc/73/96/43/373739643.db2.gz BWORUOUOWGFORR-NSHDSACASA-N 2 1 286.376 -1.322 20 0 CAADMP O=C(N[C@H](CO)C[NH+]1CCCC1)[C@H]1C[N@H+]2CCN1CCC2 ZINC000640324194 373753508 /nfs/dbraw/zinc/75/35/08/373753508.db2.gz ZDBLMHWRBNNBAN-UONOGXRCSA-N 2 1 296.415 -1.051 20 0 CAADMP O=C(N[C@@H](CO)C[NH+]1CCCC1)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000640324192 373753944 /nfs/dbraw/zinc/75/39/44/373753944.db2.gz ZDBLMHWRBNNBAN-KGLIPLIRSA-N 2 1 296.415 -1.051 20 0 CAADMP O=C(NCC[N@@H+]1CC[C@@H](O)C1)[C@H]1C[NH+]2CCN1CCC2 ZINC000629173364 373758287 /nfs/dbraw/zinc/75/82/87/373758287.db2.gz RIWVSUOZOTTWGB-CHWSQXEVSA-N 2 1 282.388 -1.441 20 0 CAADMP O=C(NCC[NH+]1CC[C@@H](O)C1)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000629173364 373758290 /nfs/dbraw/zinc/75/82/90/373758290.db2.gz RIWVSUOZOTTWGB-CHWSQXEVSA-N 2 1 282.388 -1.441 20 0 CAADMP O=C(NCC[NH+]1CC[C@@H](O)C1)[C@H]1C[N@H+]2CCN1CCC2 ZINC000629173364 373758291 /nfs/dbraw/zinc/75/82/91/373758291.db2.gz RIWVSUOZOTTWGB-CHWSQXEVSA-N 2 1 282.388 -1.441 20 0 CAADMP O=C(NCC[N@@H+]1CC[C@@H](O)C1)[C@@H]1C[NH+]2CCN1CCC2 ZINC000629173368 373758591 /nfs/dbraw/zinc/75/85/91/373758591.db2.gz RIWVSUOZOTTWGB-OLZOCXBDSA-N 2 1 282.388 -1.441 20 0 CAADMP O=C(NCC[NH+]1CC[C@@H](O)C1)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000629173368 373758600 /nfs/dbraw/zinc/75/86/00/373758600.db2.gz RIWVSUOZOTTWGB-OLZOCXBDSA-N 2 1 282.388 -1.441 20 0 CAADMP O=C(NCC[NH+]1CC[C@@H](O)C1)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000629173368 373758604 /nfs/dbraw/zinc/75/86/04/373758604.db2.gz RIWVSUOZOTTWGB-OLZOCXBDSA-N 2 1 282.388 -1.441 20 0 CAADMP CN(C(=O)[C@@H]([NH3+])CC(N)=O)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000438882085 373763358 /nfs/dbraw/zinc/76/33/58/373763358.db2.gz HZPBLUJRACKWIS-UWVGGRQHSA-N 2 1 254.334 -1.116 20 0 CAADMP CN(C(=O)[C@@H]([NH3+])CC(N)=O)[C@H]1CC[N@H+](C2CC2)C1 ZINC000438882085 373763361 /nfs/dbraw/zinc/76/33/61/373763361.db2.gz HZPBLUJRACKWIS-UWVGGRQHSA-N 2 1 254.334 -1.116 20 0 CAADMP C[C@H]1CC[N@@H+](CCNC(=O)CN2CCNCC2=O)C1 ZINC000572486812 373764364 /nfs/dbraw/zinc/76/43/64/373764364.db2.gz KXQCTJQWOYQIJT-NSHDSACASA-N 2 1 268.361 -1.124 20 0 CAADMP C[NH2+]CCOCC[N@H+](C)CC(=O)N[C@H](C)C(=O)N(C)C ZINC000629570881 373776622 /nfs/dbraw/zinc/77/66/22/373776622.db2.gz GXCCVCZNESYGIJ-LLVKDONJSA-N 2 1 288.392 -1.253 20 0 CAADMP C[NH2+]CCOCC[N@@H+](C)CC(=O)N[C@H](C)C(=O)N(C)C ZINC000629570881 373776628 /nfs/dbraw/zinc/77/66/28/373776628.db2.gz GXCCVCZNESYGIJ-LLVKDONJSA-N 2 1 288.392 -1.253 20 0 CAADMP C[C@@H](CNC(=O)[C@H]1C[C@@H](O)C[NH2+]1)C[NH+]1CCOCC1 ZINC000479275914 373808783 /nfs/dbraw/zinc/80/87/83/373808783.db2.gz HJYRELJOYBNSAA-QJPTWQEYSA-N 2 1 271.361 -1.206 20 0 CAADMP O=C(NCC[N@@H+]1CC[C@@H](O)C1)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000627094734 373838939 /nfs/dbraw/zinc/83/89/39/373838939.db2.gz KHRAOCAHWWIDCF-ZNSHCXBVSA-N 2 1 254.334 -1.430 20 0 CAADMP CC1(C)[C@H]([NH2+]CC(=O)N2CCNC(=O)C2)C[C@@H]1[NH3+] ZINC000641808587 373814237 /nfs/dbraw/zinc/81/42/37/373814237.db2.gz YYMUVLPRXFPFFO-DTWKUNHWSA-N 2 1 254.334 -1.340 20 0 CAADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)NC2C[NH2+]C2)C1 ZINC000642222637 373822504 /nfs/dbraw/zinc/82/25/04/373822504.db2.gz LFKTVJICVRIZTN-GFCCVEGCSA-N 2 1 298.387 -1.453 20 0 CAADMP CN1CC[N@H+](C)C[C@H]1CNC(=O)NC[C@H]1COCCN1C ZINC000623600684 373826127 /nfs/dbraw/zinc/82/61/27/373826127.db2.gz XWUWZYBVEFYQFN-OLZOCXBDSA-N 2 1 299.419 -1.138 20 0 CAADMP CN1CCN(C)[C@H](CNC(=O)NC[C@H]2COCCN2C)C1 ZINC000623600684 373826134 /nfs/dbraw/zinc/82/61/34/373826134.db2.gz XWUWZYBVEFYQFN-OLZOCXBDSA-N 2 1 299.419 -1.138 20 0 CAADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)NCCOCCC[NH3+] ZINC000626974678 373829010 /nfs/dbraw/zinc/82/90/10/373829010.db2.gz KEEVRFYGDARDCS-GFCCVEGCSA-N 2 1 287.408 -1.103 20 0 CAADMP C[C@H](NC(=O)NC[C@H]1COCCN1)[C@H]1CN(C)CCO1 ZINC000627003680 373830037 /nfs/dbraw/zinc/83/00/37/373830037.db2.gz TYMZPZNVUJGFML-SDDRHHMPSA-N 2 1 286.376 -1.007 20 0 CAADMP C[C@H](NC(=O)NC[C@@H]1COCCN1)[C@@H]1CN(C)CCO1 ZINC000627003682 373830370 /nfs/dbraw/zinc/83/03/70/373830370.db2.gz TYMZPZNVUJGFML-TUAOUCFPSA-N 2 1 286.376 -1.007 20 0 CAADMP C[C@H](NC(=O)NC[C@@H]1COCCN1)[C@H]1CN(C)CCO1 ZINC000627003679 373830435 /nfs/dbraw/zinc/83/04/35/373830435.db2.gz TYMZPZNVUJGFML-QJPTWQEYSA-N 2 1 286.376 -1.007 20 0 CAADMP O=C(NCC[N@H+]1CCCOCC1)NC[C@H]1COCC[NH2+]1 ZINC000627044211 373833983 /nfs/dbraw/zinc/83/39/83/373833983.db2.gz CKPBAHGSHQLNRX-LBPRGKRZSA-N 2 1 286.376 -1.004 20 0 CAADMP Cn1nnnc1CC[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000629575709 373778702 /nfs/dbraw/zinc/77/87/02/373778702.db2.gz PKRYONICQNIHIY-SNVBAGLBSA-N 2 1 254.338 -1.201 20 0 CAADMP CNS(=O)(=O)CCC[N@@H+](C)CCOCC[NH3+] ZINC000629578648 373779114 /nfs/dbraw/zinc/77/91/14/373779114.db2.gz KJHWECFFDJJILK-UHFFFAOYSA-N 2 1 253.368 -1.167 20 0 CAADMP O=C1CN(CC[NH2+]C[C@@H](O)C[NH+]2CCCC2)CCN1 ZINC000629572690 373779166 /nfs/dbraw/zinc/77/91/66/373779166.db2.gz ALUCUNJWDOMENV-GFCCVEGCSA-N 2 1 270.377 -1.536 20 0 CAADMP C[C@@H](NC(=O)C[N@H+](C)CCOCC[NH3+])C(=O)N(C)C ZINC000629579948 373779565 /nfs/dbraw/zinc/77/95/65/373779565.db2.gz YXLYLXRSGXFLNK-SNVBAGLBSA-N 2 1 274.365 -1.514 20 0 CAADMP C[C@@H](NC(=O)C[N@@H+](C)CCOCC[NH3+])C(=O)N(C)C ZINC000629579948 373779571 /nfs/dbraw/zinc/77/95/71/373779571.db2.gz YXLYLXRSGXFLNK-SNVBAGLBSA-N 2 1 274.365 -1.514 20 0 CAADMP O=C(CNC(=O)NCC[N@@H+]1CC[C@H](O)C1)N1CC[NH2+]CC1 ZINC000627064806 373837317 /nfs/dbraw/zinc/83/73/17/373837317.db2.gz WYADFVQWTVUNSC-NSHDSACASA-N 2 1 299.375 -2.216 20 0 CAADMP CCN(CC[NH3+])C(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000629805039 373787029 /nfs/dbraw/zinc/78/70/29/373787029.db2.gz JFLLOFKXMGEFDL-WDEREUQCSA-N 2 1 284.360 -1.929 20 0 CAADMP O=C(NCCCN1CC[NH2+]CC1)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000627064848 373837512 /nfs/dbraw/zinc/83/75/12/373837512.db2.gz XWWDTOCIDHGYCX-CYBMUJFWSA-N 2 1 299.419 -1.353 20 0 CAADMP C[N@H+]1CCC[C@@H]1CNC(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000627064651 373837659 /nfs/dbraw/zinc/83/76/59/373837659.db2.gz VNUIRYVLLLQCSR-LLVKDONJSA-N 2 1 283.376 -1.188 20 0 CAADMP CC[NH+]1CCN(CC(=O)NCC[N@H+]2CC[C@H](O)C2)CC1 ZINC000629914569 373789823 /nfs/dbraw/zinc/78/98/23/373789823.db2.gz XOGACFOEMKPUNK-ZDUSSCGKSA-N 2 1 284.404 -1.193 20 0 CAADMP CN1CCO[C@H](C(=O)NCC[N@H+]2CC[C@H](O)C2)C1 ZINC000629913606 373790866 /nfs/dbraw/zinc/79/08/66/373790866.db2.gz HYMWLYOGJSNFGE-QWRGUYRKSA-N 2 1 257.334 -1.500 20 0 CAADMP CN1CCO[C@H](C(=O)NCCN2CC[C@H](O)C2)C1 ZINC000629913606 373790868 /nfs/dbraw/zinc/79/08/68/373790868.db2.gz HYMWLYOGJSNFGE-QWRGUYRKSA-N 2 1 257.334 -1.500 20 0 CAADMP O=C(NCC[NH+]1CC[C@H](O)C1)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000629915305 373791461 /nfs/dbraw/zinc/79/14/61/373791461.db2.gz RIWVSUOZOTTWGB-STQMWFEESA-N 2 1 282.388 -1.441 20 0 CAADMP O=C(N[C@@H]1CC[NH2+]C1)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000627252174 373888234 /nfs/dbraw/zinc/88/82/34/373888234.db2.gz NGKRKMDTXLVBGX-VXGBXAGGSA-N 2 1 295.387 -1.046 20 0 CAADMP O=C(N[C@@H]1CC[NH2+]C1)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000627252173 373888262 /nfs/dbraw/zinc/88/82/62/373888262.db2.gz NGKRKMDTXLVBGX-NEPJUHHUSA-N 2 1 295.387 -1.046 20 0 CAADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H](CO)C[NH+](C)C)C1 ZINC000614844891 373896921 /nfs/dbraw/zinc/89/69/21/373896921.db2.gz ANWRZEDKKYTWSW-GHMZBOCLSA-N 2 1 259.350 -1.254 20 0 CAADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H](CO)C[NH+](C)C)C1 ZINC000614844891 373896922 /nfs/dbraw/zinc/89/69/22/373896922.db2.gz ANWRZEDKKYTWSW-GHMZBOCLSA-N 2 1 259.350 -1.254 20 0 CAADMP CC[N@@H+](CCO)CCNC(=O)NC[C@@H]1COCC[NH2+]1 ZINC000627189952 373847108 /nfs/dbraw/zinc/84/71/08/373847108.db2.gz NXYHTUPFBMFRCY-LLVKDONJSA-N 2 1 274.365 -1.412 20 0 CAADMP O=C(NC[C@H]1COCC[NH2+]1)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000627190501 373847541 /nfs/dbraw/zinc/84/75/41/373847541.db2.gz NVADJSWLVMUZNB-SDDRHHMPSA-N 2 1 284.360 -1.565 20 0 CAADMP O=C(NCC[N@@H+]1CC[C@@H](O)C1)NC[C@H]1COCC[NH2+]1 ZINC000627191889 373847615 /nfs/dbraw/zinc/84/76/15/373847615.db2.gz JASREXSLHRZDDO-WDEREUQCSA-N 2 1 272.349 -1.659 20 0 CAADMP NC(=O)NC(=O)C[N@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000567893076 373964410 /nfs/dbraw/zinc/96/44/10/373964410.db2.gz QOOBIUIKBOJZBH-SNVBAGLBSA-N 2 1 297.359 -1.675 20 0 CAADMP C[NH2+]C[C@](C)(O)CN1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000566351470 373946143 /nfs/dbraw/zinc/94/61/43/373946143.db2.gz KNHTWMKRRKZOGW-OCCSQVGLSA-N 2 1 284.404 -1.147 20 0 CAADMP CC[N@@H+](CCNC(=O)C(=O)NC1C[NH2+]C1)C1CC1 ZINC000566964184 373950150 /nfs/dbraw/zinc/95/01/50/373950150.db2.gz VHOCEKNWQAYUJC-UHFFFAOYSA-N 2 1 254.334 -1.325 20 0 CAADMP [NH3+]CCC(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000566972489 373950687 /nfs/dbraw/zinc/95/06/87/373950687.db2.gz BWVOQPPBSKENIY-SNVBAGLBSA-N 2 1 254.334 -1.242 20 0 CAADMP C[NH2+]CC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000566677593 373950833 /nfs/dbraw/zinc/95/08/33/373950833.db2.gz JHENZLGPCHNCFO-UHFFFAOYSA-N 2 1 276.362 -2.348 20 0 CAADMP [NH3+][C@@H]1C[C@@H]2C[N@H+](CCC(=O)N3CCOCC3)CCN2C1=O ZINC000566631089 373951249 /nfs/dbraw/zinc/95/12/49/373951249.db2.gz KGACZXHGFNABRA-VXGBXAGGSA-N 2 1 296.371 -1.521 20 0 CAADMP [NH3+][C@@H]1C[C@@H]2C[N@@H+](CCC(=O)N3CCOCC3)CCN2C1=O ZINC000566631089 373951253 /nfs/dbraw/zinc/95/12/53/373951253.db2.gz KGACZXHGFNABRA-VXGBXAGGSA-N 2 1 296.371 -1.521 20 0 CAADMP O=C1CNCCN1[C@H]1CCC[N@@H+](CCN2CC[NH2+]CC2)C1 ZINC000568089187 373964796 /nfs/dbraw/zinc/96/47/96/373964796.db2.gz KNDSYYOIEREONB-AWEZNQCLSA-N 2 1 295.431 -1.212 20 0 CAADMP CC[N@@H+]1CCO[C@H](C(=O)NCC(=O)N2CC[NH2+]CC2)C1 ZINC000566619358 373951636 /nfs/dbraw/zinc/95/16/36/373951636.db2.gz OEFFQEDUIWRCQH-NSHDSACASA-N 2 1 284.360 -1.745 20 0 CAADMP CC[N@H+]1CCO[C@H](C(=O)NCC(=O)N2CC[NH2+]CC2)C1 ZINC000566619358 373951645 /nfs/dbraw/zinc/95/16/45/373951645.db2.gz OEFFQEDUIWRCQH-NSHDSACASA-N 2 1 284.360 -1.745 20 0 CAADMP CN(C)C(=O)CC[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000567407978 373955512 /nfs/dbraw/zinc/95/55/12/373955512.db2.gz RGHJUYRAFIZFDM-VHSXEESVSA-N 2 1 254.334 -1.292 20 0 CAADMP CN(C[C@H]1CCC[N@H+]1C)C(=O)C(=O)NC1C[NH2+]C1 ZINC000567649025 373959884 /nfs/dbraw/zinc/95/98/84/373959884.db2.gz MSBPIOPCKIYBHZ-SNVBAGLBSA-N 2 1 254.334 -1.373 20 0 CAADMP NC(=O)NC(=O)C[N@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000567893075 373963594 /nfs/dbraw/zinc/96/35/94/373963594.db2.gz QOOBIUIKBOJZBH-JTQLQIEISA-N 2 1 297.359 -1.675 20 0 CAADMP COCC[N@H+]1CC[C@@H](NC(=O)N2CCN(C)C[C@H]2C[NH3+])C1 ZINC000578742605 373995134 /nfs/dbraw/zinc/99/51/34/373995134.db2.gz AXYDALOIPWHJMB-CHWSQXEVSA-N 2 1 299.419 -1.009 20 0 CAADMP COCC[N@H+]1CC[C@H](NC(=O)N2CCN(C)C[C@H]2C[NH3+])C1 ZINC000578742607 373996316 /nfs/dbraw/zinc/99/63/16/373996316.db2.gz AXYDALOIPWHJMB-QWHCGFSZSA-N 2 1 299.419 -1.009 20 0 CAADMP O=C(CC[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1)N1CC[NH2+]CC1 ZINC000579008408 373997755 /nfs/dbraw/zinc/99/77/55/373997755.db2.gz UCFAMDMHQTVKPM-TXEJJXNPSA-N 3 1 252.362 -1.041 20 0 CAADMP C[C@H](CNC(=O)C(=O)NC1C[NH2+]C1)[N@@H+](C)C1CC1 ZINC000579573038 374003430 /nfs/dbraw/zinc/00/34/30/374003430.db2.gz GBVAFXGHJLPYOR-MRVPVSSYSA-N 2 1 254.334 -1.327 20 0 CAADMP CCC[N@@H+](CC)CCNC(=O)C(=O)NC1C[NH2+]C1 ZINC000579573092 374004135 /nfs/dbraw/zinc/00/41/35/374004135.db2.gz OBDOLFPUJNNZEI-UHFFFAOYSA-N 2 1 256.350 -1.078 20 0 CAADMP O=C(N[C@@H]1CC[N@H+](C2CC2)C1)C(=O)N[C@H]1CC[NH2+]C1 ZINC000568292462 373969996 /nfs/dbraw/zinc/96/99/96/373969996.db2.gz NSZMADHTHKSGHJ-VHSXEESVSA-N 2 1 266.345 -1.183 20 0 CAADMP O=C(N[C@H]1CC[NH2+]C1)C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000568292461 373970354 /nfs/dbraw/zinc/97/03/54/373970354.db2.gz NSZMADHTHKSGHJ-UWVGGRQHSA-N 2 1 266.345 -1.183 20 0 CAADMP COCC[N@H+]1CC[C@H](NC(=O)[C@@H]([NH3+])CC(=O)OC)C1 ZINC000573680996 373982181 /nfs/dbraw/zinc/98/21/81/373982181.db2.gz MSIQSJCJYWVZGG-UWVGGRQHSA-N 2 1 273.333 -1.286 20 0 CAADMP C[N@H+]1CC[C@H]2CCN(C(=O)C(=O)NC3C[NH2+]C3)[C@@H]2C1 ZINC000573906269 373983927 /nfs/dbraw/zinc/98/39/27/373983927.db2.gz FQUALWDMZHFNAE-GXSJLCMTSA-N 2 1 266.345 -1.373 20 0 CAADMP CC[N@H+]1CCCN(C(=O)C(=O)NC2C[NH2+]C2)CC1 ZINC000574025467 373984525 /nfs/dbraw/zinc/98/45/25/373984525.db2.gz WFSSVKFUQLUZOJ-UHFFFAOYSA-N 2 1 254.334 -1.371 20 0 CAADMP C[N@H+]1CC[C@@H]2CCN(C(=O)C(=O)NC3C[NH2+]C3)[C@@H]2C1 ZINC000573906271 373985126 /nfs/dbraw/zinc/98/51/26/373985126.db2.gz FQUALWDMZHFNAE-MWLCHTKSSA-N 2 1 266.345 -1.373 20 0 CAADMP O=C1CC[NH+](CCOCC[N@@H+]2CCNC(=O)CC2)CCN1 ZINC000178636235 373988903 /nfs/dbraw/zinc/98/89/03/373988903.db2.gz ZCWJZPGXNSODOO-UHFFFAOYSA-N 2 1 298.387 -1.353 20 0 CAADMP O=C1CC[NH+](CCOCC[N@H+]2CCNC(=O)CC2)CCN1 ZINC000178636235 373988911 /nfs/dbraw/zinc/98/89/11/373988911.db2.gz ZCWJZPGXNSODOO-UHFFFAOYSA-N 2 1 298.387 -1.353 20 0 CAADMP Cc1[nH+]ccn1CCNC(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000627346606 374080870 /nfs/dbraw/zinc/08/08/70/374080870.db2.gz XTWHBAUNLIUCED-SNVBAGLBSA-N 2 1 265.317 -1.214 20 0 CAADMP Cc1[nH+]ccn1CCNC(=O)C(=O)NCCOCCC[NH3+] ZINC000627346149 374081956 /nfs/dbraw/zinc/08/19/56/374081956.db2.gz GRJXBYOJJZPACI-UHFFFAOYSA-N 2 1 297.359 -1.211 20 0 CAADMP [NH3+]CCCOCCNC(=O)C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000627325523 374073637 /nfs/dbraw/zinc/07/36/37/374073637.db2.gz MNVZFEQVKWXWBA-NSHDSACASA-N 2 1 298.387 -1.179 20 0 CAADMP CN(CCOCC[NH3+])C(=O)C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000627325221 374074886 /nfs/dbraw/zinc/07/48/86/374074886.db2.gz BZXYCYCPLPMFKF-NSHDSACASA-N 2 1 298.387 -1.227 20 0 CAADMP C[NH+](C)CCN1CCN(c2nc(N)nc(N)[nH+]2)CC1=O ZINC000624347673 374110990 /nfs/dbraw/zinc/11/09/90/374110990.db2.gz YCJHWOFKMVCOOJ-UHFFFAOYSA-N 2 1 280.336 -2.093 20 0 CAADMP C[C@H](NC(=O)C(=O)N[C@@H]1CC[NH2+]C1)[C@@H]1C[N@H+](C)CCO1 ZINC000627355970 374115621 /nfs/dbraw/zinc/11/56/21/374115621.db2.gz VIBTUBHNZYBZEE-AXFHLTTASA-N 2 1 284.360 -1.700 20 0 CAADMP C[C@H](NC(=O)C(=O)N[C@@H]1CC[NH2+]C1)[C@@H]1C[N@@H+](C)CCO1 ZINC000627355970 374115624 /nfs/dbraw/zinc/11/56/24/374115624.db2.gz VIBTUBHNZYBZEE-AXFHLTTASA-N 2 1 284.360 -1.700 20 0 CAADMP COCCC[N@@H+](C)CCNC(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000627361345 374115944 /nfs/dbraw/zinc/11/59/44/374115944.db2.gz MDBTVPOSGGKNOF-LLVKDONJSA-N 2 1 286.376 -1.451 20 0 CAADMP C[C@H](NC(=O)C(=O)N[C@@H]1CC[NH2+][C@H]1C)[C@@H]1C[N@H+](C)CCO1 ZINC000627355606 374116071 /nfs/dbraw/zinc/11/60/71/374116071.db2.gz LDICJHMZDIIQOS-YFKTTZPYSA-N 2 1 298.387 -1.312 20 0 CAADMP C[C@H](NC(=O)C(=O)N[C@@H]1CC[NH2+][C@H]1C)[C@@H]1C[N@@H+](C)CCO1 ZINC000627355606 374116080 /nfs/dbraw/zinc/11/60/80/374116080.db2.gz LDICJHMZDIIQOS-YFKTTZPYSA-N 2 1 298.387 -1.312 20 0 CAADMP C[C@@H](CNC(=O)C(=O)NC[C@H]1COCC[NH2+]1)[N@@H+](C)C1CC1 ZINC000627372749 374116103 /nfs/dbraw/zinc/11/61/03/374116103.db2.gz WDFQOBNSROXWBP-QWRGUYRKSA-N 2 1 298.387 -1.310 20 0 CAADMP CC[N@@H+](CCNC(=O)C(=O)NC[C@H]1COCC[NH2+]1)C1CC1 ZINC000627365283 374117070 /nfs/dbraw/zinc/11/70/70/374117070.db2.gz KPDRSPUSHSWVCD-NSHDSACASA-N 2 1 298.387 -1.309 20 0 CAADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000627367613 374117314 /nfs/dbraw/zinc/11/73/14/374117314.db2.gz ZHGVBKQMCGVVAY-VXGBXAGGSA-N 2 1 298.387 -1.309 20 0 CAADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)NC[C@@H]2COCC[NH2+]2)C1 ZINC000627429058 374123135 /nfs/dbraw/zinc/12/31/35/374123135.db2.gz WPJLMATUZPPYJX-VXGBXAGGSA-N 2 1 298.387 -1.309 20 0 CAADMP CC[N@H+]1CCC[C@H]1CNC(=O)C(=O)NC[C@H]1COCC[NH2+]1 ZINC000627473631 374131053 /nfs/dbraw/zinc/13/10/53/374131053.db2.gz RPMJDRJTVWQKFL-RYUDHWBXSA-N 2 1 298.387 -1.309 20 0 CAADMP CC[N@H+]1CCC[C@H]1CNC(=O)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000627473629 374131084 /nfs/dbraw/zinc/13/10/84/374131084.db2.gz RPMJDRJTVWQKFL-NEPJUHHUSA-N 2 1 298.387 -1.309 20 0 CAADMP CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)NC[C@H]1COCC[NH2+]1 ZINC000627475598 374131459 /nfs/dbraw/zinc/13/14/59/374131459.db2.gz QBXUTEVOEBMESD-NSHDSACASA-N 2 1 298.387 -1.356 20 0 CAADMP NC(=O)[C@@H]1CCC[N@@H+](CCCNc2nc(N)[nH+]c(N)n2)C1 ZINC000623929859 374094837 /nfs/dbraw/zinc/09/48/37/374094837.db2.gz XGJZFDAQGXTWDH-MRVPVSSYSA-N 2 1 294.363 -1.882 20 0 CAADMP NC(=O)[C@@H]1CCC[N@H+](CCCNc2nc(N)nc(N)[nH+]2)C1 ZINC000623929859 374094843 /nfs/dbraw/zinc/09/48/43/374094843.db2.gz XGJZFDAQGXTWDH-MRVPVSSYSA-N 2 1 294.363 -1.882 20 0 CAADMP NC(=O)[C@@H]1CCC[N@@H+](CCCNc2nc(N)nc(N)[nH+]2)C1 ZINC000623929859 374094849 /nfs/dbraw/zinc/09/48/49/374094849.db2.gz XGJZFDAQGXTWDH-MRVPVSSYSA-N 2 1 294.363 -1.882 20 0 CAADMP COCC[N@H+]1CCCN(c2nc(N)[nH+]c(N)n2)CC1 ZINC000623865323 374095943 /nfs/dbraw/zinc/09/59/43/374095943.db2.gz OQVPLNBQOIRKEA-UHFFFAOYSA-N 2 1 267.337 -1.145 20 0 CAADMP COCC[N@H+]1CCC[C@@H](Nc2nc(N)[nH+]c(N)n2)C1 ZINC000623951271 374098908 /nfs/dbraw/zinc/09/89/08/374098908.db2.gz GTMVGADXLJQTMB-MRVPVSSYSA-N 2 1 267.337 -1.359 20 0 CAADMP COCCC[N@@H+](C)CCNc1nc(N)[nH+]c(N)n1 ZINC000623996070 374101708 /nfs/dbraw/zinc/10/17/08/374101708.db2.gz RNRJYDKVJFIZBQ-UHFFFAOYSA-N 2 1 255.326 -1.501 20 0 CAADMP Nc1nc(N[C@H]2CCC[N@@H+](CCCO)C2)nc(N)[nH+]1 ZINC000624249109 374108372 /nfs/dbraw/zinc/10/83/72/374108372.db2.gz UKSYQEYRXKWPBE-QMMMGPOBSA-N 2 1 267.337 -1.623 20 0 CAADMP Nc1nc(NC[C@@H]2CCC[N@H+]2CCCO)nc(N)[nH+]1 ZINC000624248526 374108843 /nfs/dbraw/zinc/10/88/43/374108843.db2.gz QTFAKDQMVVUNLL-QMMMGPOBSA-N 2 1 267.337 -1.623 20 0 CAADMP O=C(NCCC[NH+]1CCOCC1)NCCN1CC[NH2+]CC1 ZINC000242941426 374147092 /nfs/dbraw/zinc/14/70/92/374147092.db2.gz HBRXNFHEFSEMRJ-UHFFFAOYSA-N 2 1 299.419 -1.087 20 0 CAADMP CN1CCN(S(=O)(=O)CC2([NH+](C)C)CC2)[C@@H](C[NH3+])C1 ZINC000631907488 374153548 /nfs/dbraw/zinc/15/35/48/374153548.db2.gz LTMNXWPJIIEJNM-NSHDSACASA-N 2 1 290.433 -1.015 20 0 CAADMP C[NH+](C)CCCS(=O)(=O)NC[C@H]1COCC[NH2+]1 ZINC000631954450 374158071 /nfs/dbraw/zinc/15/80/71/374158071.db2.gz MDYYXULHRVWZIU-JTQLQIEISA-N 2 1 265.379 -1.154 20 0 CAADMP CC1(C)CN(S(=O)(=O)C[C@@H]2C[NH2+]CCO2)CC[NH2+]1 ZINC000631951403 374158660 /nfs/dbraw/zinc/15/86/60/374158660.db2.gz HAIPFQRWIVMNJC-JTQLQIEISA-N 2 1 277.390 -1.012 20 0 CAADMP O=C(C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000633109281 374185976 /nfs/dbraw/zinc/18/59/76/374185976.db2.gz BDYAHWFQVNSMLW-FIQHERPVSA-N 2 1 294.355 -2.164 20 0 CAADMP CCC[N@@H+](C)CC(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000574689668 335039857 /nfs/dbraw/zinc/03/98/57/335039857.db2.gz VMOQDWLIFFETQN-UHFFFAOYSA-N 2 1 256.350 -1.124 20 0 CAADMP C[NH+]1CCN(C(=O)CCNC(=O)N[C@H]2CC[NH2+]C2)CC1 ZINC000574705268 335041786 /nfs/dbraw/zinc/04/17/86/335041786.db2.gz VRIBNEWOCZYMOZ-NSHDSACASA-N 2 1 283.376 -1.188 20 0 CAADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN([C@H]2COC[C@H]2O)CC1 ZINC000574735106 335043279 /nfs/dbraw/zinc/04/32/79/335043279.db2.gz UFTUVMLLKHGHTP-FRRDWIJNSA-N 2 1 283.372 -1.016 20 0 CAADMP C[NH+](C)CCOCC(=O)N1CC[C@H]([N@H+](C)CC(N)=O)C1 ZINC001193487531 781970353 /nfs/dbraw/zinc/97/03/53/781970353.db2.gz AUGGXADTRBVIQW-NSHDSACASA-N 2 1 286.376 -1.417 20 0 CAADMP C[NH+](C)CCOCC(=O)N1CC[C@H]([N@@H+](C)CC(N)=O)C1 ZINC001193487531 781970358 /nfs/dbraw/zinc/97/03/58/781970358.db2.gz AUGGXADTRBVIQW-NSHDSACASA-N 2 1 286.376 -1.417 20 0 CAADMP CCNC(=O)NC(=O)C[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000063180491 252078364 /nfs/dbraw/zinc/07/83/64/252078364.db2.gz CBVJUXCYBZCVQN-JTQLQIEISA-N 2 1 299.375 -1.381 20 0 CAADMP CNS(=O)(=O)C[C@H]1CCC[N@H+]1CCOCC[NH3+] ZINC000357074357 252145116 /nfs/dbraw/zinc/14/51/16/252145116.db2.gz GNPXEPQOCJCXJT-SNVBAGLBSA-N 2 1 265.379 -1.025 20 0 CAADMP O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)N1CC[NH+](CCO)CC1 ZINC000357234471 252147305 /nfs/dbraw/zinc/14/73/05/252147305.db2.gz AELMKKZPCOAHQY-LBPRGKRZSA-N 2 1 298.387 -1.619 20 0 CAADMP NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)C[C@@H]1COCC[NH2+]1 ZINC000357169117 252147730 /nfs/dbraw/zinc/14/77/30/252147730.db2.gz CHONZRDDFSLSEC-NEPJUHHUSA-N 2 1 298.387 -1.179 20 0 CAADMP COC[C@]1(CNC(=O)[C@@H]2COCC[NH2+]2)CCC[NH2+]1 ZINC000357272530 252147750 /nfs/dbraw/zinc/14/77/50/252147750.db2.gz MQHFWICZLOZOHS-CMPLNLGQSA-N 2 1 257.334 -1.140 20 0 CAADMP COC[C@]1(CNC(=O)[C@H]2COCC[NH2+]2)CCC[NH2+]1 ZINC000357272542 252148119 /nfs/dbraw/zinc/14/81/19/252148119.db2.gz MQHFWICZLOZOHS-ZYHUDNBSSA-N 2 1 257.334 -1.140 20 0 CAADMP COC[C@@]1(CNC(=O)[C@H]2COCC[NH2+]2)CCC[NH2+]1 ZINC000357272540 252148177 /nfs/dbraw/zinc/14/81/77/252148177.db2.gz MQHFWICZLOZOHS-PWSUYJOCSA-N 2 1 257.334 -1.140 20 0 CAADMP NC(=O)[C@H]1CCC[N@H+]1CCCNC(=O)C[C@H]1COCC[NH2+]1 ZINC000357169119 252148448 /nfs/dbraw/zinc/14/84/48/252148448.db2.gz CHONZRDDFSLSEC-NWDGAFQWSA-N 2 1 298.387 -1.179 20 0 CAADMP COCCC[N@@H+](C)CCNC(=O)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000357934177 252153311 /nfs/dbraw/zinc/15/33/11/252153311.db2.gz ZYOJQCOTIPHPEU-GHMZBOCLSA-N 2 1 259.350 -1.206 20 0 CAADMP COCC[N@@H+](C)CCCNC(=O)[C@H]1C[C@H](O)C[NH2+]1 ZINC000357928971 252153850 /nfs/dbraw/zinc/15/38/50/252153850.db2.gz MUBNJWZGSFTBMF-WDEREUQCSA-N 2 1 259.350 -1.206 20 0 CAADMP COCC[N@@H+](C)CCCNC(=O)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000357928969 252153998 /nfs/dbraw/zinc/15/39/98/252153998.db2.gz MUBNJWZGSFTBMF-MNOVXSKESA-N 2 1 259.350 -1.206 20 0 CAADMP C[N@H+]1CC[C@@](O)(CNC(=O)[C@@H]2C[NH+]3CCN2CCC3)C1 ZINC000358074896 252155225 /nfs/dbraw/zinc/15/52/25/252155225.db2.gz RXRCWRXKHHPHRI-GXTWGEPZSA-N 2 1 282.388 -1.441 20 0 CAADMP C[NH+]1CC[C@@](O)(CNC(=O)[C@@H]2C[N@@H+]3CCN2CCC3)C1 ZINC000358074896 252155228 /nfs/dbraw/zinc/15/52/28/252155228.db2.gz RXRCWRXKHHPHRI-GXTWGEPZSA-N 2 1 282.388 -1.441 20 0 CAADMP C[NH+]1CC[C@@](O)(CNC(=O)[C@@H]2C[N@H+]3CCN2CCC3)C1 ZINC000358074896 252155231 /nfs/dbraw/zinc/15/52/31/252155231.db2.gz RXRCWRXKHHPHRI-GXTWGEPZSA-N 2 1 282.388 -1.441 20 0 CAADMP C[N@H+]1CC[C@](O)(CNC(=O)[C@@H]2C[NH+]3CCN2CCC3)C1 ZINC000358074898 252156406 /nfs/dbraw/zinc/15/64/06/252156406.db2.gz RXRCWRXKHHPHRI-JSGCOSHPSA-N 2 1 282.388 -1.441 20 0 CAADMP C[NH+]1CC[C@](O)(CNC(=O)[C@@H]2C[N@@H+]3CCN2CCC3)C1 ZINC000358074898 252156409 /nfs/dbraw/zinc/15/64/09/252156409.db2.gz RXRCWRXKHHPHRI-JSGCOSHPSA-N 2 1 282.388 -1.441 20 0 CAADMP C[NH+]1CC[C@](O)(CNC(=O)[C@@H]2C[N@H+]3CCN2CCC3)C1 ZINC000358074898 252156412 /nfs/dbraw/zinc/15/64/12/252156412.db2.gz RXRCWRXKHHPHRI-JSGCOSHPSA-N 2 1 282.388 -1.441 20 0 CAADMP C[N@H+]1CC[C@](O)(CNC(=O)[C@H]2C[NH+]3CCN2CCC3)C1 ZINC000358074899 252156447 /nfs/dbraw/zinc/15/64/47/252156447.db2.gz RXRCWRXKHHPHRI-OCCSQVGLSA-N 2 1 282.388 -1.441 20 0 CAADMP C[NH+]1CC[C@](O)(CNC(=O)[C@H]2C[N@@H+]3CCN2CCC3)C1 ZINC000358074899 252156450 /nfs/dbraw/zinc/15/64/50/252156450.db2.gz RXRCWRXKHHPHRI-OCCSQVGLSA-N 2 1 282.388 -1.441 20 0 CAADMP C[NH+]1CC[C@](O)(CNC(=O)[C@H]2C[N@H+]3CCN2CCC3)C1 ZINC000358074899 252156452 /nfs/dbraw/zinc/15/64/52/252156452.db2.gz RXRCWRXKHHPHRI-OCCSQVGLSA-N 2 1 282.388 -1.441 20 0 CAADMP C[N@@H+]1CC[C@](O)(CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC000358060567 252156466 /nfs/dbraw/zinc/15/64/66/252156466.db2.gz FHOFZLBCTYMPLD-PWSUYJOCSA-N 2 1 257.334 -1.500 20 0 CAADMP C[N@H+]1CC[C@](O)(CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC000358060567 252156469 /nfs/dbraw/zinc/15/64/69/252156469.db2.gz FHOFZLBCTYMPLD-PWSUYJOCSA-N 2 1 257.334 -1.500 20 0 CAADMP C[NH+]1CC[C@](O)(CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC000358060567 252156471 /nfs/dbraw/zinc/15/64/71/252156471.db2.gz FHOFZLBCTYMPLD-PWSUYJOCSA-N 2 1 257.334 -1.500 20 0 CAADMP C[NH+]1CC[C@](O)(CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000358060567 252156474 /nfs/dbraw/zinc/15/64/74/252156474.db2.gz FHOFZLBCTYMPLD-PWSUYJOCSA-N 2 1 257.334 -1.500 20 0 CAADMP C[NH+](C)CCN1C(=O)C[C@H]([N@H+]2CCC[C@@H](C(N)=O)C2)C1=O ZINC000359204718 252158901 /nfs/dbraw/zinc/15/89/01/252158901.db2.gz JGXHQRUKQGBFPN-MNOVXSKESA-N 2 1 296.371 -1.127 20 0 CAADMP O=C(NC[C@H]1C[N@H+]2CCC[C@H]2CO1)[C@H]1C[NH2+]CCO1 ZINC000368836810 252187585 /nfs/dbraw/zinc/18/75/85/252187585.db2.gz ZYIVUGIDTLTXGV-SDDRHHMPSA-N 2 1 269.345 -1.046 20 0 CAADMP COCC[N@H+]1CC[C@H](NC(=O)[C@H]2C[NH2+]CCO2)C1 ZINC000372500767 252196006 /nfs/dbraw/zinc/19/60/06/252196006.db2.gz DTBJLSLTMUHLEO-WDEREUQCSA-N 2 1 257.334 -1.188 20 0 CAADMP C[C@H]1CN(C(=O)[C@H]2C[N@H+]3CCN2CCC3)CCN1CCO ZINC000373545182 252198459 /nfs/dbraw/zinc/19/84/59/252198459.db2.gz KVVWDCTTXOOZJG-UONOGXRCSA-N 2 1 296.415 -1.099 20 0 CAADMP C[C@H]1CN(C(=O)[C@H]2C[NH+]3CCN2CCC3)CC[N@@H+]1CCO ZINC000373545182 252198463 /nfs/dbraw/zinc/19/84/63/252198463.db2.gz KVVWDCTTXOOZJG-UONOGXRCSA-N 2 1 296.415 -1.099 20 0 CAADMP C[C@H]1CN(C(=O)[C@H]2C[NH+]3CCN2CCC3)CC[N@H+]1CCO ZINC000373545182 252198467 /nfs/dbraw/zinc/19/84/67/252198467.db2.gz KVVWDCTTXOOZJG-UONOGXRCSA-N 2 1 296.415 -1.099 20 0 CAADMP C[C@H]1CN(C(=O)[C@H]2C[N@@H+]3CCN2CCC3)CC[NH+]1CCO ZINC000373545182 252198470 /nfs/dbraw/zinc/19/84/70/252198470.db2.gz KVVWDCTTXOOZJG-UONOGXRCSA-N 2 1 296.415 -1.099 20 0 CAADMP C[C@@H]1CN(C(=O)[C@@H]2C[N@H+]3CCN2CCC3)CCN1CCO ZINC000373545181 252198578 /nfs/dbraw/zinc/19/85/78/252198578.db2.gz KVVWDCTTXOOZJG-KGLIPLIRSA-N 2 1 296.415 -1.099 20 0 CAADMP C[C@@H]1CN(C(=O)[C@@H]2C[NH+]3CCN2CCC3)CC[N@@H+]1CCO ZINC000373545181 252198579 /nfs/dbraw/zinc/19/85/79/252198579.db2.gz KVVWDCTTXOOZJG-KGLIPLIRSA-N 2 1 296.415 -1.099 20 0 CAADMP C[C@@H]1CN(C(=O)[C@@H]2C[NH+]3CCN2CCC3)CC[N@H+]1CCO ZINC000373545181 252198583 /nfs/dbraw/zinc/19/85/83/252198583.db2.gz KVVWDCTTXOOZJG-KGLIPLIRSA-N 2 1 296.415 -1.099 20 0 CAADMP C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+]3CCN2CCC3)CC[NH+]1CCO ZINC000373545181 252198587 /nfs/dbraw/zinc/19/85/87/252198587.db2.gz KVVWDCTTXOOZJG-KGLIPLIRSA-N 2 1 296.415 -1.099 20 0 CAADMP C[NH+]1CCN(C(=O)CC[N@@H+]2CCNC(=O)CC2)CC1 ZINC000374883295 252199665 /nfs/dbraw/zinc/19/96/65/252199665.db2.gz XBRCMUFUBHBPLN-UHFFFAOYSA-N 2 1 268.361 -1.028 20 0 CAADMP C[NH+]1CCN(C(=O)CC[N@H+]2CCNC(=O)CC2)CC1 ZINC000374883295 252199668 /nfs/dbraw/zinc/19/96/68/252199668.db2.gz XBRCMUFUBHBPLN-UHFFFAOYSA-N 2 1 268.361 -1.028 20 0 CAADMP O=C(CNC(=O)[C@H]1CCC[NH2+]1)NCC[N@H+]1CCCOCC1 ZINC000515058230 252252834 /nfs/dbraw/zinc/25/28/34/252252834.db2.gz ORQSFTMFGSIDOL-GFCCVEGCSA-N 2 1 298.387 -1.307 20 0 CAADMP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CC[NH2+][C@@H](C)C2)C1 ZINC000419734622 532976490 /nfs/dbraw/zinc/97/64/90/532976490.db2.gz VNPRKGQWAXNLPF-NWDGAFQWSA-N 2 1 298.387 -1.356 20 0 CAADMP COCC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000364216403 285036510 /nfs/dbraw/zinc/03/65/10/285036510.db2.gz RUGFGXBCMJDHLA-QJPTWQEYSA-N 2 1 271.361 -1.064 20 0 CAADMP O=C1NC[C@@H]2C[N@@H+](CC3CC[NH2+]CC3)CCN2C1=O ZINC000346977939 296379357 /nfs/dbraw/zinc/37/93/57/296379357.db2.gz NQBHGOPFNMRPCL-LLVKDONJSA-N 2 1 266.345 -1.371 20 0 CAADMP CO[C@H](C[NH3+])CC(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000447436722 533148273 /nfs/dbraw/zinc/14/82/73/533148273.db2.gz XGENUSLYKFNNDJ-NSHDSACASA-N 2 1 286.376 -1.370 20 0 CAADMP COCC[N@@H+](C)CCCNC(=O)C(=O)N1CC[NH2+]CC1 ZINC000419677337 533313536 /nfs/dbraw/zinc/31/35/36/533313536.db2.gz MKFCCELQFBZGLY-UHFFFAOYSA-N 2 1 286.376 -1.497 20 0 CAADMP CS(=O)(=O)NCC[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000430603442 533397465 /nfs/dbraw/zinc/39/74/65/533397465.db2.gz KDEVZQQIKMNMAJ-JTQLQIEISA-N 2 1 292.405 -1.678 20 0 CAADMP C[C@@H](CC[NH+]1CCOCC1)NC(=O)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000479271624 533586972 /nfs/dbraw/zinc/58/69/72/533586972.db2.gz QAHUDSQYWIGARZ-QJPTWQEYSA-N 2 1 271.361 -1.064 20 0 CAADMP CN(C)C(=O)CC[NH+]1CCN(C(=O)C2C[NH2+]C2)CC1 ZINC000342130958 130288793 /nfs/dbraw/zinc/28/87/93/130288793.db2.gz CVNZOKUQMFOEIB-UHFFFAOYSA-N 2 1 268.361 -1.172 20 0 CAADMP C[C@@H]([NH3+])C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000186665753 286905934 /nfs/dbraw/zinc/90/59/34/286905934.db2.gz QPZNUWWBYPPFNI-ZJUUUORDSA-N 2 1 254.334 -1.244 20 0 CAADMP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1C[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC000660722964 409324996 /nfs/dbraw/zinc/32/49/96/409324996.db2.gz QZOBLTYLHIROCF-MXWKQRLJSA-N 2 1 269.345 -1.108 20 0 CAADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1C[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC000660722964 409325002 /nfs/dbraw/zinc/32/50/02/409325002.db2.gz QZOBLTYLHIROCF-MXWKQRLJSA-N 2 1 269.345 -1.108 20 0 CAADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1C[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC000660722964 409325008 /nfs/dbraw/zinc/32/50/08/409325008.db2.gz QZOBLTYLHIROCF-MXWKQRLJSA-N 2 1 269.345 -1.108 20 0 CAADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1C[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC000660722964 409325012 /nfs/dbraw/zinc/32/50/12/409325012.db2.gz QZOBLTYLHIROCF-MXWKQRLJSA-N 2 1 269.345 -1.108 20 0 CAADMP CCCC[N@@H+](C)CCNC(=O)C(=O)NC1C[NH2+]C1 ZINC000516750674 409369956 /nfs/dbraw/zinc/36/99/56/409369956.db2.gz ADHAKCMZMJXVQL-UHFFFAOYSA-N 2 1 256.350 -1.078 20 0 CAADMP C[C@H](CNC(=O)CNC(=O)C[NH3+])[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655487861 409373262 /nfs/dbraw/zinc/37/32/62/409373262.db2.gz NZLFIIBVKUEHLI-MXWKQRLJSA-N 2 1 286.376 -1.325 20 0 CAADMP C[C@H](CNC(=O)CNC(=O)C[NH3+])[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655487861 409373267 /nfs/dbraw/zinc/37/32/67/409373267.db2.gz NZLFIIBVKUEHLI-MXWKQRLJSA-N 2 1 286.376 -1.325 20 0 CAADMP C[NH2+]C[C@](C)(O)C[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000652335478 409394783 /nfs/dbraw/zinc/39/47/83/409394783.db2.gz LKUWUOMDGLKKJP-AAEUAGOBSA-N 3 1 272.393 -1.256 20 0 CAADMP C[NH2+]C[C@](C)(O)CN1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000652335478 409394788 /nfs/dbraw/zinc/39/47/88/409394788.db2.gz LKUWUOMDGLKKJP-AAEUAGOBSA-N 2 1 272.393 -1.256 20 0 CAADMP C[NH2+]CCC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000647092163 409331096 /nfs/dbraw/zinc/33/10/96/409331096.db2.gz MURSPOARHBFGIC-UHFFFAOYSA-N 2 1 290.389 -1.958 20 0 CAADMP CC[N@@H+]1CCO[C@H](C(=O)N2CC[NH+]3C[C@H](O)C[C@H]3C2)C1 ZINC000655296751 409332364 /nfs/dbraw/zinc/33/23/64/409332364.db2.gz UFYKMVVGEIJJOH-XQQFMLRXSA-N 2 1 283.372 -1.016 20 0 CAADMP CC[N@H+]1CCO[C@H](C(=O)N2CC[NH+]3C[C@H](O)C[C@H]3C2)C1 ZINC000655296751 409332368 /nfs/dbraw/zinc/33/23/68/409332368.db2.gz UFYKMVVGEIJJOH-XQQFMLRXSA-N 2 1 283.372 -1.016 20 0 CAADMP CC[NH+]1CCO[C@H](C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)C1 ZINC000655296751 409332373 /nfs/dbraw/zinc/33/23/73/409332373.db2.gz UFYKMVVGEIJJOH-XQQFMLRXSA-N 2 1 283.372 -1.016 20 0 CAADMP CC[NH+]1CCO[C@H](C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)C1 ZINC000655296751 409332376 /nfs/dbraw/zinc/33/23/76/409332376.db2.gz UFYKMVVGEIJJOH-XQQFMLRXSA-N 2 1 283.372 -1.016 20 0 CAADMP C[C@@H](CNC(=O)C1(O)C[NH2+]C1)C[NH+]1CCOCC1 ZINC000662700447 409333306 /nfs/dbraw/zinc/33/33/06/409333306.db2.gz IHIHOCVNZDWIBS-JTQLQIEISA-N 2 1 257.334 -1.595 20 0 CAADMP NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)C2(O)C[NH2+]C2)C1 ZINC000662706918 409335408 /nfs/dbraw/zinc/33/54/08/409335408.db2.gz YZFQNNOOKATYRF-JTQLQIEISA-N 2 1 284.360 -1.976 20 0 CAADMP C[NH+](C)C[C@@](C)(O)CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000153466059 409343496 /nfs/dbraw/zinc/34/34/96/409343496.db2.gz IISQYPRLRPSEIU-JQWIXIFHSA-N 2 1 259.350 -1.254 20 0 CAADMP C[NH+](C)C[C@@](C)(O)CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000153466059 409343499 /nfs/dbraw/zinc/34/34/99/409343499.db2.gz IISQYPRLRPSEIU-JQWIXIFHSA-N 2 1 259.350 -1.254 20 0 CAADMP C[NH+](C)C[C@@](C)(O)CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC000153466284 409344813 /nfs/dbraw/zinc/34/48/13/409344813.db2.gz IISQYPRLRPSEIU-PWSUYJOCSA-N 2 1 259.350 -1.254 20 0 CAADMP C[NH+](C)C[C@@](C)(O)CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000153466284 409344817 /nfs/dbraw/zinc/34/48/17/409344817.db2.gz IISQYPRLRPSEIU-PWSUYJOCSA-N 2 1 259.350 -1.254 20 0 CAADMP C[NH+](C)CCCN1C(=O)C[C@H]([N@H+]2C[C@@H](O)[C@@H](O)C2)C1=O ZINC000653282372 409352081 /nfs/dbraw/zinc/35/20/81/409352081.db2.gz XULCGEBAEJKQHF-GARJFASQSA-N 2 1 285.344 -1.897 20 0 CAADMP C[NH+](C)CCCN1C(=O)C[C@H]([N@@H+]2C[C@@H](O)[C@@H](O)C2)C1=O ZINC000653282372 409352087 /nfs/dbraw/zinc/35/20/87/409352087.db2.gz XULCGEBAEJKQHF-GARJFASQSA-N 2 1 285.344 -1.897 20 0 CAADMP C[NH+](C)CCCN1C(=O)C[C@@H]([N@H+]2C[C@@H](O)[C@@H](O)C2)C1=O ZINC000653282373 409352980 /nfs/dbraw/zinc/35/29/80/409352980.db2.gz XULCGEBAEJKQHF-MXWKQRLJSA-N 2 1 285.344 -1.897 20 0 CAADMP C[NH+](C)CCCN1C(=O)C[C@@H]([N@@H+]2C[C@@H](O)[C@@H](O)C2)C1=O ZINC000653282373 409352983 /nfs/dbraw/zinc/35/29/83/409352983.db2.gz XULCGEBAEJKQHF-MXWKQRLJSA-N 2 1 285.344 -1.897 20 0 CAADMP C[N@@H+](CCN1C(=O)CCC1=O)CCN1CC[NH2+]CC1 ZINC000071150330 409402943 /nfs/dbraw/zinc/40/29/43/409402943.db2.gz RITUIHXTFNHKBO-UHFFFAOYSA-N 2 1 268.361 -1.028 20 0 CAADMP C[C@@H](C(=O)N(C)CCN1CC[NH2+]CC1)N1CC[NH+](C)CC1 ZINC000647778679 409407711 /nfs/dbraw/zinc/40/77/11/409407711.db2.gz UEOWMAIDGBNKMY-AWEZNQCLSA-N 2 1 297.447 -1.014 20 0 CAADMP CN1CCN(C(=O)CC[N@@H+](C)CCN2CC[NH2+]CC2)CC1 ZINC000647836207 409411226 /nfs/dbraw/zinc/41/12/26/409411226.db2.gz OSDKTJIYXQLICT-UHFFFAOYSA-N 2 1 297.447 -1.013 20 0 CAADMP C[N@@H+](CCC(=O)N1CC[NH+](C)CC1)CCN1CC[NH2+]CC1 ZINC000647836207 409411232 /nfs/dbraw/zinc/41/12/32/409411232.db2.gz OSDKTJIYXQLICT-UHFFFAOYSA-N 3 1 297.447 -1.013 20 0 CAADMP C[N@H+](CCC(=O)N1CC[NH+](C)CC1)CCN1CC[NH2+]CC1 ZINC000647836207 409411242 /nfs/dbraw/zinc/41/12/42/409411242.db2.gz OSDKTJIYXQLICT-UHFFFAOYSA-N 3 1 297.447 -1.013 20 0 CAADMP CNS(=O)(=O)CCC[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000647835638 409412929 /nfs/dbraw/zinc/41/29/29/409412929.db2.gz GNWJZJAEQDFPMD-UHFFFAOYSA-N 2 1 278.422 -1.237 20 0 CAADMP CCS(=O)(=O)NCC[N@H+](C)CCN1CC[NH2+]CC1 ZINC000647835897 409413108 /nfs/dbraw/zinc/41/31/08/409413108.db2.gz UHUBWYBNPLGUIQ-UHFFFAOYSA-N 2 1 278.422 -1.237 20 0 CAADMP CCS(=O)(=O)NCC[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000647835897 409413113 /nfs/dbraw/zinc/41/31/13/409413113.db2.gz UHUBWYBNPLGUIQ-UHFFFAOYSA-N 2 1 278.422 -1.237 20 0 CAADMP CS(=O)(=O)N[C@@H]1CCC[N@@H+](CCN2CC[NH2+]CC2)C1 ZINC000647876898 409414598 /nfs/dbraw/zinc/41/45/98/409414598.db2.gz CHAXESNSSRYDKD-GFCCVEGCSA-N 2 1 290.433 -1.095 20 0 CAADMP CCN1C(=O)[C@@H]2C[N@@H+](CCOCC[NH3+])CCN2C1=O ZINC000647891542 409414760 /nfs/dbraw/zinc/41/47/60/409414760.db2.gz OSKKRQULWOYCDB-JTQLQIEISA-N 2 1 270.333 -1.070 20 0 CAADMP C[NH+](C)CCN1CCN(C(=O)C[NH+](C)C)CC1=O ZINC000652735670 409418630 /nfs/dbraw/zinc/41/86/30/409418630.db2.gz PWPJQWCLLCPJJG-UHFFFAOYSA-N 2 1 256.350 -1.220 20 0 CAADMP C[NH+](C)CCN1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1=O ZINC000652734745 409418844 /nfs/dbraw/zinc/41/88/44/409418844.db2.gz UXQOYTZXLBEWOW-LBPRGKRZSA-N 2 1 298.387 -1.451 20 0 CAADMP C[NH+](C)CCN1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1=O ZINC000652734745 409418847 /nfs/dbraw/zinc/41/88/47/409418847.db2.gz UXQOYTZXLBEWOW-LBPRGKRZSA-N 2 1 298.387 -1.451 20 0 CAADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)CCOC1C[NH2+]C1 ZINC000348986157 409442668 /nfs/dbraw/zinc/44/26/68/409442668.db2.gz BJNMHBUGHJYZRX-NSHDSACASA-N 2 1 270.377 -1.273 20 0 CAADMP CC[N@@H+](C)C[C@H](O)CN(C)C[C@H](O)CN1CCOCC1 ZINC000519862500 409446616 /nfs/dbraw/zinc/44/66/16/409446616.db2.gz ZGKJONQEIRDSPE-KBPBESRZSA-N 2 1 289.420 -1.076 20 0 CAADMP CC[N@@H+](C)C[C@H](O)CN(C)C[C@@H](O)CN1CCOCC1 ZINC000519862509 409447611 /nfs/dbraw/zinc/44/76/11/409447611.db2.gz ZGKJONQEIRDSPE-UONOGXRCSA-N 2 1 289.420 -1.076 20 0 CAADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)NC2C[NH2+]C2)C1 ZINC000659715390 409472691 /nfs/dbraw/zinc/47/26/91/409472691.db2.gz SZYRXATXSNQKIA-SECBINFHSA-N 2 1 254.334 -1.325 20 0 CAADMP C[C@H](NC(=O)C(=O)N(C)CCC[NH3+])[C@H]1C[N@H+](C)CCO1 ZINC000659698447 409470498 /nfs/dbraw/zinc/47/04/98/409470498.db2.gz ZWMAJQAVFNYFBD-WDEREUQCSA-N 2 1 286.376 -1.371 20 0 CAADMP C[C@H](NC(=O)C(=O)N(C)CCC[NH3+])[C@H]1C[N@@H+](C)CCO1 ZINC000659698447 409470504 /nfs/dbraw/zinc/47/05/04/409470504.db2.gz ZWMAJQAVFNYFBD-WDEREUQCSA-N 2 1 286.376 -1.371 20 0 CAADMP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1C[C@@H]2CC[N@@H+](C)[C@@H]2C1 ZINC000423642118 409478952 /nfs/dbraw/zinc/47/89/52/409478952.db2.gz KFEIVYSMMFCROK-GRYCIOLGSA-N 2 1 280.372 -1.031 20 0 CAADMP C[N@H+]1CC[C@H]2OCCN(C(=O)[C@H]3C[NH2+]CCO3)[C@@H]2C1 ZINC000424186720 409479273 /nfs/dbraw/zinc/47/92/73/409479273.db2.gz TVUCXPWGTADKGH-IJLUTSLNSA-N 2 1 269.345 -1.094 20 0 CAADMP CC(C)(O)C[NH+]1CCN(C(=O)C(=O)N[C@H]2CC[NH2+]C2)CC1 ZINC000514876407 409479802 /nfs/dbraw/zinc/47/98/02/409479802.db2.gz JDUWLUDRPXYPIZ-NSHDSACASA-N 2 1 298.387 -1.620 20 0 CAADMP C[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2CN3CCN2CC3)C1 ZINC000246173234 409475954 /nfs/dbraw/zinc/47/59/54/409475954.db2.gz ZZQDWILAJCDZRJ-NWDGAFQWSA-N 2 1 268.361 -1.567 20 0 CAADMP C[N@H+]1CCO[C@@H](C(=O)NC[C@H]2CN3CCN2CC3)C1 ZINC000246173234 409475958 /nfs/dbraw/zinc/47/59/58/409475958.db2.gz ZZQDWILAJCDZRJ-NWDGAFQWSA-N 2 1 268.361 -1.567 20 0 CAADMP O=C(NCC[N@H+]1CCCOCC1)[C@@H]1C[NH2+]CCO1 ZINC000646504092 409490994 /nfs/dbraw/zinc/49/09/94/409490994.db2.gz VEVZKSGOTBZSKQ-NSHDSACASA-N 2 1 257.334 -1.187 20 0 CAADMP C[NH2+]C[C@@H](C)NC(=O)C(=O)NCc1c[nH+]c(N(C)C)n1C ZINC000659674817 409559994 /nfs/dbraw/zinc/55/99/94/409559994.db2.gz JQOMUVLNNPAVAC-SECBINFHSA-N 2 1 296.375 -1.174 20 0 CAADMP C[NH2+]C[C@H](C)NC(=O)C(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC000659697704 409563883 /nfs/dbraw/zinc/56/38/83/409563883.db2.gz UGTLATITXNOEDV-DCAQKATOSA-N 2 1 286.376 -1.454 20 0 CAADMP C[NH2+]C[C@H](C)NC(=O)C(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCO1 ZINC000659697704 409563888 /nfs/dbraw/zinc/56/38/88/409563888.db2.gz UGTLATITXNOEDV-DCAQKATOSA-N 2 1 286.376 -1.454 20 0 CAADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)NCC[NH2+]C)C1 ZINC000659715371 409564125 /nfs/dbraw/zinc/56/41/25/409564125.db2.gz ZNYDFQSYKSVOBY-SNVBAGLBSA-N 2 1 256.350 -1.078 20 0 CAADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)NCC[NH2+]C)C1 ZINC000659715370 409564930 /nfs/dbraw/zinc/56/49/30/409564930.db2.gz ZNYDFQSYKSVOBY-JTQLQIEISA-N 2 1 256.350 -1.078 20 0 CAADMP COCC[N@@H+](C)CCNC(=O)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659696357 409565110 /nfs/dbraw/zinc/56/51/10/409565110.db2.gz NDDPTVNBYGQDHG-UHFFFAOYSA-N 2 1 298.387 -1.451 20 0 CAADMP C[C@@H](NC(=O)C(=O)N[C@H]1CC[NH2+]C1)[C@@H]1C[N@H+](C)CCO1 ZINC000659697769 409566224 /nfs/dbraw/zinc/56/62/24/409566224.db2.gz VIBTUBHNZYBZEE-VWYCJHECSA-N 2 1 284.360 -1.700 20 0 CAADMP C[C@@H](NC(=O)C(=O)N[C@H]1CC[NH2+]C1)[C@@H]1C[N@@H+](C)CCO1 ZINC000659697769 409566231 /nfs/dbraw/zinc/56/62/31/409566231.db2.gz VIBTUBHNZYBZEE-VWYCJHECSA-N 2 1 284.360 -1.700 20 0 CAADMP C[NH2+]C[C@@H](C)NC(=O)C(=O)NCCC[NH+]1CCOCC1 ZINC000659707800 409566382 /nfs/dbraw/zinc/56/63/82/409566382.db2.gz ZFOIIACKMRHBDK-LLVKDONJSA-N 2 1 286.376 -1.451 20 0 CAADMP C[N@H+]1CCC[C@@H](NC(=O)C(=O)N[C@H]2CC[NH2+]C2)C1 ZINC000659731211 409567494 /nfs/dbraw/zinc/56/74/94/409567494.db2.gz RVKKSTRMMTZUDY-VHSXEESVSA-N 2 1 254.334 -1.325 20 0 CAADMP C[NH+]1CCN(C(=O)CN2CC[N@@H+]3C[C@H](O)C[C@H]3C2)CC1 ZINC000405301275 409511581 /nfs/dbraw/zinc/51/15/81/409511581.db2.gz IRISRSHLRXEVHG-QWHCGFSZSA-N 2 1 282.388 -1.489 20 0 CAADMP C[NH+]1CCN(C(=O)CN2CC[N@H+]3C[C@H](O)C[C@H]3C2)CC1 ZINC000405301275 409511583 /nfs/dbraw/zinc/51/15/83/409511583.db2.gz IRISRSHLRXEVHG-QWHCGFSZSA-N 2 1 282.388 -1.489 20 0 CAADMP O=C(NC[C@H]1C[NH2+]CCO1)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000655969342 409521493 /nfs/dbraw/zinc/52/14/93/409521493.db2.gz HNFXDDRTTPJMNU-QJPTWQEYSA-N 2 1 284.360 -1.565 20 0 CAADMP COCC[NH2+]CCNC(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000655965172 409521995 /nfs/dbraw/zinc/52/19/95/409521995.db2.gz PWLWDPFUTMSTDS-NWDGAFQWSA-N 2 1 286.376 -1.317 20 0 CAADMP O=C(NC[C@@H]1C[NH2+]CCO1)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000655969343 409523305 /nfs/dbraw/zinc/52/33/05/409523305.db2.gz HNFXDDRTTPJMNU-TUAOUCFPSA-N 2 1 284.360 -1.565 20 0 CAADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)NC[C@H]2C[NH2+]CCO2)C1 ZINC000659730072 409568842 /nfs/dbraw/zinc/56/88/42/409568842.db2.gz UWGKXZZNUNMQEG-VXGBXAGGSA-N 2 1 298.387 -1.309 20 0 CAADMP CN(CC[NH3+])C(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000656105200 409529559 /nfs/dbraw/zinc/52/95/59/409529559.db2.gz ZENCYAXGFMRIIH-VHSXEESVSA-N 2 1 270.333 -2.319 20 0 CAADMP C[C@@H]1CN(C(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)C[C@H]1[NH3+] ZINC000656103991 409531974 /nfs/dbraw/zinc/53/19/74/409531974.db2.gz FHFUMTWKOYOESH-WRWGMCAJSA-N 2 1 296.371 -1.931 20 0 CAADMP CC[N@@H+]1CCO[C@@H](C(=O)N2CCOC3(C[NH2+]C3)C2)C1 ZINC000663217539 409621976 /nfs/dbraw/zinc/62/19/76/409621976.db2.gz MMOSYMQZSLRILR-LLVKDONJSA-N 2 1 269.345 -1.092 20 0 CAADMP CC[N@H+]1CCO[C@@H](C(=O)N2CCOC3(C[NH2+]C3)C2)C1 ZINC000663217539 409621985 /nfs/dbraw/zinc/62/19/85/409621985.db2.gz MMOSYMQZSLRILR-LLVKDONJSA-N 2 1 269.345 -1.092 20 0 CAADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)NC[C@H]2C[NH2+]CCO2)C1 ZINC000659730068 409570600 /nfs/dbraw/zinc/57/06/00/409570600.db2.gz UWGKXZZNUNMQEG-NWDGAFQWSA-N 2 1 298.387 -1.309 20 0 CAADMP C[NH2+]C[C@H](C)NC(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000659756044 409572073 /nfs/dbraw/zinc/57/20/73/409572073.db2.gz PKSVTQRITJRHKC-GARJFASQSA-N 2 1 284.360 -2.012 20 0 CAADMP C[NH2+]C[C@H](C)NC(=O)C(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000659750268 409574012 /nfs/dbraw/zinc/57/40/12/409574012.db2.gz FRFJONMTVKZJEU-VHSXEESVSA-N 2 1 256.350 -1.079 20 0 CAADMP O[C@@H]1COCCN(C/C=C\C[N@H+]2CCOC[C@@H](O)C2)C1 ZINC000660668037 409576564 /nfs/dbraw/zinc/57/65/64/409576564.db2.gz BVHUNMXFYIXEMV-GFCAHOMWSA-N 2 1 286.372 -1.071 20 0 CAADMP O[C@@H]1COCC[NH+](C/C=C\C[N@H+]2CCOC[C@@H](O)C2)C1 ZINC000660668037 409576571 /nfs/dbraw/zinc/57/65/71/409576571.db2.gz BVHUNMXFYIXEMV-GFCAHOMWSA-N 2 1 286.372 -1.071 20 0 CAADMP O[C@@H]1COCC[NH+](C/C=C\C[N@@H+]2CCOC[C@@H](O)C2)C1 ZINC000660668037 409576583 /nfs/dbraw/zinc/57/65/83/409576583.db2.gz BVHUNMXFYIXEMV-GFCAHOMWSA-N 2 1 286.372 -1.071 20 0 CAADMP CO[C@@H]1C[NH+](C/C=C/C[N@H+]2C[C@@H](O)[C@H](OC)C2)C[C@H]1O ZINC000660735922 409581007 /nfs/dbraw/zinc/58/10/07/409581007.db2.gz MZOVDCXGKUATRG-DNLLBMQLSA-N 2 1 286.372 -1.074 20 0 CAADMP C[N@@H+](CC(=O)N1CC[NH2+]CC1)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662243508 409586633 /nfs/dbraw/zinc/58/66/33/409586633.db2.gz MDWMSXCUKGYZII-LBPRGKRZSA-N 3 1 282.388 -1.129 20 0 CAADMP C[N@H+](CC(=O)N1CC[NH2+]CC1)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662243508 409586637 /nfs/dbraw/zinc/58/66/37/409586637.db2.gz MDWMSXCUKGYZII-LBPRGKRZSA-N 3 1 282.388 -1.129 20 0 CAADMP CNC(=O)[C@H]1C[N@H+](C[C@H]2CCC3(C[NH2+]C3)O2)CCO1 ZINC000662281631 409586726 /nfs/dbraw/zinc/58/67/26/409586726.db2.gz YXLWCJNDURODDL-GHMZBOCLSA-N 2 1 269.345 -1.046 20 0 CAADMP CNC(=O)[C@H]1C[N@@H+](C[C@H]2CCC3(C[NH2+]C3)O2)CCO1 ZINC000662281631 409586734 /nfs/dbraw/zinc/58/67/34/409586734.db2.gz YXLWCJNDURODDL-GHMZBOCLSA-N 2 1 269.345 -1.046 20 0 CAADMP [NH3+]CCN(CCC[NH+]1CCOCC1)C[C@@H](O)CO ZINC000662288326 409591881 /nfs/dbraw/zinc/59/18/81/409591881.db2.gz OWFYBLDJBFYABX-GFCCVEGCSA-N 2 1 261.366 -1.677 20 0 CAADMP C[C@H](CNC(=O)c1cn(CC[NH3+])nn1)C[NH+]1CCOCC1 ZINC000662467227 409595672 /nfs/dbraw/zinc/59/56/72/409595672.db2.gz ADAYGXKLHILDLL-LLVKDONJSA-N 2 1 296.375 -1.065 20 0 CAADMP COCCC[N@@H+](C)CCNC(=O)c1cn(CC[NH3+])nn1 ZINC000662476901 409598720 /nfs/dbraw/zinc/59/87/20/409598720.db2.gz VPTVFXBTFQRVJJ-UHFFFAOYSA-N 2 1 284.364 -1.065 20 0 CAADMP C[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001195677861 782012621 /nfs/dbraw/zinc/01/26/21/782012621.db2.gz VTQBAOREZTWJFV-IJLUTSLNSA-N 2 1 285.388 -1.130 20 0 CAADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C2(O)C[NH2+]C2)C1 ZINC000662668298 409602893 /nfs/dbraw/zinc/60/28/93/409602893.db2.gz KEIPQWHZAKLGSE-LLVKDONJSA-N 2 1 271.361 -1.206 20 0 CAADMP Nc1nsc(N2CC[NH+](CCN3CC[NH2+]CC3)CC2)n1 ZINC000567990637 409751316 /nfs/dbraw/zinc/75/13/16/409751316.db2.gz QCDHHOZXUKKISR-UHFFFAOYSA-N 2 1 297.432 -0.853 20 0 CAADMP C[C@@H](O)C[N@H+]1CCN(C(=O)CNC(=O)C[NH3+])C[C@H]1C ZINC000347671976 287089416 /nfs/dbraw/zinc/08/94/16/287089416.db2.gz BEMALLDSBLYXTJ-NXEZZACHSA-N 2 1 272.349 -2.025 20 0 CAADMP C[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1O ZINC001195871978 782020156 /nfs/dbraw/zinc/02/01/56/782020156.db2.gz VPFYHAMOAMNLQB-VXGBXAGGSA-N 2 1 296.375 -1.609 20 0 CAADMP C[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1O ZINC001195871978 782020164 /nfs/dbraw/zinc/02/01/64/782020164.db2.gz VPFYHAMOAMNLQB-VXGBXAGGSA-N 2 1 296.375 -1.609 20 0 CAADMP C[N@@H+](CCC(=O)NC(N)=O)CC(=O)N1CC[NH2+]CC1 ZINC000038031430 174026257 /nfs/dbraw/zinc/02/62/57/174026257.db2.gz OONFIBMEODWKIV-UHFFFAOYSA-N 2 1 271.321 -2.065 20 0 CAADMP CNC(=O)NC(=O)CC[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000071150332 176045340 /nfs/dbraw/zinc/04/53/40/176045340.db2.gz GNCSFBWADDNNGI-UHFFFAOYSA-N 2 1 271.365 -1.331 20 0 CAADMP CC(C)[C@H](C(=O)N[C@@H]1C[N@H+](CCO)C[C@H]1O)[NH+](C)C ZINC001195981576 782021650 /nfs/dbraw/zinc/02/16/50/782021650.db2.gz WCMJSHUCFWXSCL-IJLUTSLNSA-N 2 1 273.377 -1.274 20 0 CAADMP CC(C)[C@H](C(=O)N[C@@H]1C[N@@H+](CCO)C[C@H]1O)[NH+](C)C ZINC001195981576 782021656 /nfs/dbraw/zinc/02/16/56/782021656.db2.gz WCMJSHUCFWXSCL-IJLUTSLNSA-N 2 1 273.377 -1.274 20 0 CAADMP C[C@@H]1C[C@H](NC(=O)CNC(=O)C[NH3+])C[N@H+]1C1CC1 ZINC000347662740 226215088 /nfs/dbraw/zinc/21/50/88/226215088.db2.gz FCBXRIHLLVHBBR-BDAKNGLRSA-N 2 1 254.334 -1.197 20 0 CAADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)CNC(=O)C[NH3+] ZINC000347694087 226236678 /nfs/dbraw/zinc/23/66/78/226236678.db2.gz QQRKXEVBPCUHJO-SNVBAGLBSA-N 2 1 272.349 -1.712 20 0 CAADMP CO[C@H](C[NH3+])C(=O)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000353430077 228100706 /nfs/dbraw/zinc/10/07/06/228100706.db2.gz QOPUGSMIGASRJN-LLVKDONJSA-N 2 1 286.376 -1.417 20 0 CAADMP COCC[NH2+]CC(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000178700721 230194957 /nfs/dbraw/zinc/19/49/57/230194957.db2.gz YJZMDFDILMVEDH-UHFFFAOYSA-N 2 1 286.376 -1.497 20 0 CAADMP COC[C@@H](N)C(=O)NCCC(=O)N1CCN(C)CC1 ZINC000262364667 230228775 /nfs/dbraw/zinc/22/87/75/230228775.db2.gz KWRHCDQVJMVHAP-SNVBAGLBSA-N 2 1 272.349 -1.760 20 0 CAADMP COC[C@@H]([NH3+])C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000262364667 230228783 /nfs/dbraw/zinc/22/87/83/230228783.db2.gz KWRHCDQVJMVHAP-SNVBAGLBSA-N 2 1 272.349 -1.760 20 0 CAADMP COCC[N@H+]1CCC[C@H]1CNC(=O)C(=O)N1CC[NH2+]CC1 ZINC000419534205 230253718 /nfs/dbraw/zinc/25/37/18/230253718.db2.gz JPSVFXKSWKTRJN-LBPRGKRZSA-N 2 1 298.387 -1.355 20 0 CAADMP COCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CC[NH2+]C[C@H]2C)C1 ZINC000419727456 230255155 /nfs/dbraw/zinc/25/51/55/230255155.db2.gz LJGVKCWLMLQHDC-NEPJUHHUSA-N 2 1 298.387 -1.356 20 0 CAADMP COCC[N@@H+](C)CCNC(=O)C(=O)NC[C@@H]([NH3+])C(C)C ZINC000419356826 230255178 /nfs/dbraw/zinc/25/51/78/230255178.db2.gz NQPZNDAAUNCBOF-LLVKDONJSA-N 2 1 288.392 -1.220 20 0 CAADMP COCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CC[NH2+][C@H](C)C2)C1 ZINC000419734620 230255209 /nfs/dbraw/zinc/25/52/09/230255209.db2.gz VNPRKGQWAXNLPF-NEPJUHHUSA-N 2 1 298.387 -1.356 20 0 CAADMP [NH3+][C@@H]1C[C@@H]1C(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000424197647 230280943 /nfs/dbraw/zinc/28/09/43/230280943.db2.gz OHBJGBVSJIEJED-VHSXEESVSA-N 2 1 288.373 -2.221 20 0 CAADMP C[C@H]1OCC[NH2+][C@@H]1C(=O)NC[C@H]1C[NH2+]CCN1C ZINC000424189275 230281401 /nfs/dbraw/zinc/28/14/01/230281401.db2.gz KHAPPRKLBCVTEU-MXWKQRLJSA-N 2 1 256.350 -1.617 20 0 CAADMP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)[C@H]2C[NH2+]CCO2)C1 ZINC000430899126 230311197 /nfs/dbraw/zinc/31/11/97/230311197.db2.gz YVRPFAOUCOCZMS-VXGBXAGGSA-N 2 1 298.387 -1.322 20 0 CAADMP CC[C@@H](C(=O)N[C@@H]1C[N@H+](CCO)C[C@H]1O)[NH+](C)C ZINC001196276680 782032292 /nfs/dbraw/zinc/03/22/92/782032292.db2.gz SFJIGMQKMIWGTQ-OUAUKWLOSA-N 2 1 259.350 -1.520 20 0 CAADMP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](CCO)C[C@H]1O)[NH+](C)C ZINC001196276680 782032298 /nfs/dbraw/zinc/03/22/98/782032298.db2.gz SFJIGMQKMIWGTQ-OUAUKWLOSA-N 2 1 259.350 -1.520 20 0 CAADMP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)NC1C[NH2+]C1 ZINC000518347620 260380691 /nfs/dbraw/zinc/38/06/91/260380691.db2.gz JDCDMDLPTCGMKU-SNVBAGLBSA-N 2 1 298.387 -1.622 20 0 CAADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)NC1C[NH2+]C1 ZINC000518347620 260380692 /nfs/dbraw/zinc/38/06/92/260380692.db2.gz JDCDMDLPTCGMKU-SNVBAGLBSA-N 2 1 298.387 -1.622 20 0 CAADMP C[C@H](CC(=O)N[C@@H]1CN(CCO)C[C@H]1O)n1ccnc1 ZINC001196501401 782038838 /nfs/dbraw/zinc/03/88/38/782038838.db2.gz YOOLGOVXORHWBE-IJLUTSLNSA-N 2 1 282.344 -1.012 20 0 CAADMP CC[N@H+](CCO)CCNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC000183931497 269086390 /nfs/dbraw/zinc/08/63/90/269086390.db2.gz SYLIMNVERSTASX-NSHDSACASA-N 2 1 259.350 -1.253 20 0 CAADMP CC[N@@H+](CCO)CCNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC000183931497 269086392 /nfs/dbraw/zinc/08/63/92/269086392.db2.gz SYLIMNVERSTASX-NSHDSACASA-N 2 1 259.350 -1.253 20 0 CAADMP CC[NH+](CCO)CCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000183931497 269086393 /nfs/dbraw/zinc/08/63/93/269086393.db2.gz SYLIMNVERSTASX-NSHDSACASA-N 2 1 259.350 -1.253 20 0 CAADMP CC[NH+](CCO)CCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000183931497 269086396 /nfs/dbraw/zinc/08/63/96/269086396.db2.gz SYLIMNVERSTASX-NSHDSACASA-N 2 1 259.350 -1.253 20 0 CAADMP C[N@H+](CCN1CC[NH2+]CC1)CC(=O)N1CC[NH2+]CC1 ZINC000519827759 269089703 /nfs/dbraw/zinc/08/97/03/269089703.db2.gz UQKWTAYOOQOQNV-UHFFFAOYSA-N 3 1 269.393 -1.745 20 0 CAADMP C[N@@H+](CCN1CC[NH2+]CC1)CC(=O)N1CC[NH2+]CC1 ZINC000519827759 269089704 /nfs/dbraw/zinc/08/97/04/269089704.db2.gz UQKWTAYOOQOQNV-UHFFFAOYSA-N 3 1 269.393 -1.745 20 0 CAADMP COCC[N@H+]1CC[C@@H](NC(=O)NC[C@H]2COCC[NH2+]2)C1 ZINC000529310631 269092255 /nfs/dbraw/zinc/09/22/55/269092255.db2.gz RBLLUBYECSBQTR-NEPJUHHUSA-N 2 1 286.376 -1.005 20 0 CAADMP COCC[N@H+]1CC[C@@H](NC(=O)NC[C@@H]2COCC[NH2+]2)C1 ZINC000529310634 269092405 /nfs/dbraw/zinc/09/24/05/269092405.db2.gz RBLLUBYECSBQTR-VXGBXAGGSA-N 2 1 286.376 -1.005 20 0 CAADMP C[C@H](O)C[NH+]1CCN(C(=O)NC[C@@H]2COCC[NH2+]2)CC1 ZINC000529383050 269093538 /nfs/dbraw/zinc/09/35/38/269093538.db2.gz FANGMYOCCMRNTJ-NWDGAFQWSA-N 2 1 286.376 -1.317 20 0 CAADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](C[C@@H](C)O)C[C@H]1O ZINC001197057557 782045752 /nfs/dbraw/zinc/04/57/52/782045752.db2.gz DPZFKDSBXXYSMO-IJLUTSLNSA-N 2 1 273.377 -1.130 20 0 CAADMP COCC[NH2+]CC(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000186682791 277229210 /nfs/dbraw/zinc/22/92/10/277229210.db2.gz OCMREDDBMVEYBP-LBPRGKRZSA-N 2 1 298.387 -1.355 20 0 CAADMP C[C@H](O)C[N@@H+]1CCN(C(=O)[C@@H]2C[C@@H](O)C[NH2+]2)C[C@@H]1C ZINC000357926430 278293479 /nfs/dbraw/zinc/29/34/79/278293479.db2.gz HNYXOPDKBZOINV-YFKTTZPYSA-N 2 1 271.361 -1.377 20 0 CAADMP C[C@H](O)C[N@H+]1CCN(C(=O)[C@@H]2C[C@@H](O)C[NH2+]2)C[C@@H]1C ZINC000357926430 278293481 /nfs/dbraw/zinc/29/34/81/278293481.db2.gz HNYXOPDKBZOINV-YFKTTZPYSA-N 2 1 271.361 -1.377 20 0 CAADMP CC[C@@H]1CN(C(=O)CNC(=O)C[NH3+])CC[N@H+]1C[C@H](C)O ZINC000262377410 280350043 /nfs/dbraw/zinc/35/00/43/280350043.db2.gz JVBSBXKLJORRDK-WDEREUQCSA-N 2 1 286.376 -1.635 20 0 CAADMP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)[C@@H]([NH3+])CC(N)=O ZINC000227456784 288303145 /nfs/dbraw/zinc/30/31/45/288303145.db2.gz RGXAFLFTFANGJI-BBBLOLIVSA-N 2 1 254.334 -1.116 20 0 CAADMP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)[C@@H]([NH3+])CC(N)=O ZINC000227456784 288303146 /nfs/dbraw/zinc/30/31/46/288303146.db2.gz RGXAFLFTFANGJI-BBBLOLIVSA-N 2 1 254.334 -1.116 20 0 CAADMP CN(C)C(=O)CC[NH+]1CCN(C(=O)[C@@H]2C[C@@H]2[NH3+])CC1 ZINC000424144290 281911521 /nfs/dbraw/zinc/91/15/21/281911521.db2.gz LAZCBUQYNDVAKU-MNOVXSKESA-N 2 1 268.361 -1.044 20 0 CAADMP C[C@@H]1OCC[NH2+][C@@H]1C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000343603386 288879950 /nfs/dbraw/zinc/87/99/50/288879950.db2.gz SAGCZNBFFSFCLQ-XQQFMLRXSA-N 2 1 282.388 -1.131 20 0 CAADMP C[C@@H]1OCC[NH2+][C@@H]1C(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000357266509 288879971 /nfs/dbraw/zinc/87/99/71/288879971.db2.gz IOZBISDUGYCLEZ-XQQFMLRXSA-N 2 1 282.388 -1.131 20 0 CAADMP CN(CCC[N@@H+](C)CC(=O)NC(N)=O)CC[NH+](C)C ZINC000344076897 289132237 /nfs/dbraw/zinc/13/22/37/289132237.db2.gz WCJOWDLVLXCAQG-UHFFFAOYSA-N 2 1 273.381 -1.003 20 0 CAADMP C[C@H](CNC(=O)[C@H]1C[C@H](O)C[NH2+]1)C[NH+]1CCOCC1 ZINC000357904749 289683378 /nfs/dbraw/zinc/68/33/78/289683378.db2.gz HJYRELJOYBNSAA-GRYCIOLGSA-N 2 1 271.361 -1.206 20 0 CAADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CCO)C[C@H]1O ZINC001197492923 782054429 /nfs/dbraw/zinc/05/44/29/782054429.db2.gz BAVVLXIDUBQEBI-GHMZBOCLSA-N 2 1 259.350 -1.518 20 0 CAADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CCO)C[C@H]1O ZINC001197492923 782054439 /nfs/dbraw/zinc/05/44/39/782054439.db2.gz BAVVLXIDUBQEBI-GHMZBOCLSA-N 2 1 259.350 -1.518 20 0 CAADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CCO)C[C@H]1O ZINC001197492923 782054451 /nfs/dbraw/zinc/05/44/51/782054451.db2.gz BAVVLXIDUBQEBI-GHMZBOCLSA-N 2 1 259.350 -1.518 20 0 CAADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@@H](C)O)C[C@H]1O ZINC001197536108 782054505 /nfs/dbraw/zinc/05/45/05/782054505.db2.gz JTSLWWLBVPYMQU-IJLUTSLNSA-N 2 1 273.377 -1.130 20 0 CAADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](C[C@@H](C)O)C[C@H]1O ZINC001197536108 782054516 /nfs/dbraw/zinc/05/45/16/782054516.db2.gz JTSLWWLBVPYMQU-IJLUTSLNSA-N 2 1 273.377 -1.130 20 0 CAADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](C[C@@H](C)O)C[C@H]1O ZINC001197536108 782054525 /nfs/dbraw/zinc/05/45/25/782054525.db2.gz JTSLWWLBVPYMQU-IJLUTSLNSA-N 2 1 273.377 -1.130 20 0 CAADMP COCC[N@H+]1C[C@@H](O)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001197826052 782059802 /nfs/dbraw/zinc/05/98/02/782059802.db2.gz OFSIYRVJCHLRSZ-VXGBXAGGSA-N 2 1 289.376 -1.628 20 0 CAADMP C[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001197826195 782060035 /nfs/dbraw/zinc/06/00/35/782060035.db2.gz QDHOFVYUVQEQGN-QJPTWQEYSA-N 2 1 289.376 -1.893 20 0 CAADMP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@@H](C)O)C[C@H]1O ZINC001198028655 782061119 /nfs/dbraw/zinc/06/11/19/782061119.db2.gz FFDAFXPPBVKMRR-IJLUTSLNSA-N 2 1 273.377 -1.130 20 0 CAADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](C[C@@H](C)O)C[C@H]1O ZINC001198028655 782061128 /nfs/dbraw/zinc/06/11/28/782061128.db2.gz FFDAFXPPBVKMRR-IJLUTSLNSA-N 2 1 273.377 -1.130 20 0 CAADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](C[C@@H](C)O)C[C@H]1O ZINC001198028655 782061143 /nfs/dbraw/zinc/06/11/43/782061143.db2.gz FFDAFXPPBVKMRR-IJLUTSLNSA-N 2 1 273.377 -1.130 20 0 CAADMP C[C@@H]1OCC[NH2+][C@@H]1C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000357266502 297582589 /nfs/dbraw/zinc/58/25/89/297582589.db2.gz IOZBISDUGYCLEZ-AVGNSLFASA-N 2 1 282.388 -1.131 20 0 CAADMP C[C@@H]1OCC[NH2+][C@@H]1C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000343603371 297582735 /nfs/dbraw/zinc/58/27/35/297582735.db2.gz SAGCZNBFFSFCLQ-AVGNSLFASA-N 2 1 282.388 -1.131 20 0 CAADMP C[C@H](CNC(=O)[C@@H]1C[C@H](O)C[NH2+]1)C[NH+]1CCOCC1 ZINC000357904759 298754156 /nfs/dbraw/zinc/75/41/56/298754156.db2.gz HJYRELJOYBNSAA-WOPDTQHZSA-N 2 1 271.361 -1.206 20 0 CAADMP [NH3+]CC(=O)NCC(=O)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000376581240 303367175 /nfs/dbraw/zinc/36/71/75/303367175.db2.gz NNKYHYRCEBQSPY-NEPJUHHUSA-N 2 1 298.387 -1.179 20 0 CAADMP CC(C)[N@@H+](C)CC(=O)NCC[NH2+][C@@H]1CCNC1=O ZINC001152439289 782065489 /nfs/dbraw/zinc/06/54/89/782065489.db2.gz HHVZLOQEDZLBEE-SNVBAGLBSA-N 2 1 256.350 -1.079 20 0 CAADMP [NH3+][C@@H]1C[C@H]2CN(C(=O)[C@@H]3CSC[NH2+]3)CCN2C1=O ZINC000583641755 328724873 /nfs/dbraw/zinc/72/48/73/328724873.db2.gz BBNVOFMAWCCWKU-YIZRAAEISA-N 2 1 270.358 -1.581 20 0 CAADMP C[NH+](C)CCCN1C(=O)C[C@@H]([NH2+]CC(N)=O)C1=O ZINC000563348063 328056512 /nfs/dbraw/zinc/05/65/12/328056512.db2.gz HAQYUEGVGBLEMI-MRVPVSSYSA-N 2 1 256.306 -1.860 20 0 CAADMP O=C(CC[N@@H+]1CC[C@@H]2OCCN[C@@H]2C1)N1CC[NH2+]CC1 ZINC000571095195 328085219 /nfs/dbraw/zinc/08/52/19/328085219.db2.gz FYADONMOAWJGQJ-OLZOCXBDSA-N 2 1 282.388 -1.129 20 0 CAADMP O=C(CC[N@H+]1CC[C@@H]2OCCN[C@@H]2C1)N1CC[NH2+]CC1 ZINC000571095195 328085220 /nfs/dbraw/zinc/08/52/20/328085220.db2.gz FYADONMOAWJGQJ-OLZOCXBDSA-N 2 1 282.388 -1.129 20 0 CAADMP O=C(NC1C[NH2+]C1)C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000571388605 328118526 /nfs/dbraw/zinc/11/85/26/328118526.db2.gz OXXWWQLNOGONQV-UHFFFAOYSA-N 2 1 266.345 -1.371 20 0 CAADMP CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)NC1C[NH2+]C1 ZINC000557297321 327000693 /nfs/dbraw/zinc/00/06/93/327000693.db2.gz LKUDQGIVCSAYSL-UHFFFAOYSA-N 2 1 254.334 -1.373 20 0 CAADMP CO[C@@H](C[NH3+])C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000584171876 327056772 /nfs/dbraw/zinc/05/67/72/327056772.db2.gz KFIHGVPDFNJNKK-MNOVXSKESA-N 2 1 284.360 -1.617 20 0 CAADMP [NH3+]CC(F)(F)CNC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000569471552 327182952 /nfs/dbraw/zinc/18/29/52/327182952.db2.gz BIHHGRYQAATNCS-JGVFFNPUSA-N 2 1 291.302 -1.466 20 0 CAADMP C[N@H+]1CC[C@H]2OCCN(C(=O)COC3C[NH2+]C3)[C@H]2C1 ZINC000569487689 327185597 /nfs/dbraw/zinc/18/55/97/327185597.db2.gz RQKWIKFYHHFVPH-NWDGAFQWSA-N 2 1 269.345 -1.094 20 0 CAADMP COCC[N@@H+](C)C[C@@H](O)CN1CC[NH+](CCO)[C@H](C)C1 ZINC000573622109 327243424 /nfs/dbraw/zinc/24/34/24/327243424.db2.gz XOWLWFIJTQAXNR-ZIAGYGMSSA-N 2 1 289.420 -1.076 20 0 CAADMP COCC[NH+](C)C[C@@H](O)CN1CC[N@H+](CCO)[C@H](C)C1 ZINC000573622109 327243426 /nfs/dbraw/zinc/24/34/26/327243426.db2.gz XOWLWFIJTQAXNR-ZIAGYGMSSA-N 2 1 289.420 -1.076 20 0 CAADMP COCC[NH+](C)C[C@@H](O)CN1CC[N@@H+](CCO)[C@H](C)C1 ZINC000573622109 327243427 /nfs/dbraw/zinc/24/34/27/327243427.db2.gz XOWLWFIJTQAXNR-ZIAGYGMSSA-N 2 1 289.420 -1.076 20 0 CAADMP CN1CCN(C(=O)C(=O)NCC[N@@H+](C)C2CC2)[C@H](C[NH3+])C1 ZINC000561239518 327378199 /nfs/dbraw/zinc/37/81/99/327378199.db2.gz HARATJAJYWNNNV-GFCCVEGCSA-N 2 1 297.403 -1.702 20 0 CAADMP COCCC[N@@H+](C)CCNC(=O)C(=O)N(C)CCC[NH3+] ZINC000569625020 327388986 /nfs/dbraw/zinc/38/89/86/327388986.db2.gz IXJGZUUBHVFWHX-UHFFFAOYSA-N 2 1 288.392 -1.122 20 0 CAADMP CO[C@@H]1C[NH2+][C@@H](C(=O)NCCC(=O)N2CC[NH+](C)CC2)C1 ZINC000582549254 329105958 /nfs/dbraw/zinc/10/59/58/329105958.db2.gz RTLLLBNWGFGXPO-NWDGAFQWSA-N 2 1 298.387 -1.356 20 0 CAADMP C[C@H](CN1CCOCC1)[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000582677421 329127240 /nfs/dbraw/zinc/12/72/40/329127240.db2.gz PWQRXXIYSDIIIQ-JHJVBQTASA-N 2 1 282.388 -1.049 20 0 CAADMP C[C@H](CN1CCOCC1)[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000582677421 329127242 /nfs/dbraw/zinc/12/72/42/329127242.db2.gz PWQRXXIYSDIIIQ-JHJVBQTASA-N 2 1 282.388 -1.049 20 0 CAADMP C[C@H](CN1CCOCC1)[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000582677422 329127419 /nfs/dbraw/zinc/12/74/19/329127419.db2.gz PWQRXXIYSDIIIQ-UPJWGTAASA-N 2 1 282.388 -1.049 20 0 CAADMP C[C@H](CN1CCOCC1)[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000582677422 329127420 /nfs/dbraw/zinc/12/74/20/329127420.db2.gz PWQRXXIYSDIIIQ-UPJWGTAASA-N 2 1 282.388 -1.049 20 0 CAADMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)C(=O)NC1C[NH2+]C1 ZINC000582715720 329129548 /nfs/dbraw/zinc/12/95/48/329129548.db2.gz SJRNXVOTBHXVBS-JTQLQIEISA-N 2 1 268.361 -1.125 20 0 CAADMP C[C@@H](CNC(=O)C(=O)N[C@H]1CC[NH2+]C1)C[NH+]1CCOCC1 ZINC000582856692 329281344 /nfs/dbraw/zinc/28/13/44/329281344.db2.gz QDFUXZFBCSJLEI-RYUDHWBXSA-N 2 1 298.387 -1.451 20 0 CAADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](CCOCC[NH3+])C1 ZINC000583084192 329312014 /nfs/dbraw/zinc/31/20/14/329312014.db2.gz BXGYGSZALNIBDJ-LLVKDONJSA-N 3 1 258.366 -1.251 20 0 CAADMP COCCN(C)C[C@H](O)C[N@H+]1CC[C@H](CO)[C@@H](O)C1 ZINC000583211928 329368304 /nfs/dbraw/zinc/36/83/04/329368304.db2.gz HODAKMPINNDAEW-AGIUHOORSA-N 2 1 276.377 -1.399 20 0 CAADMP CNC(=O)C[NH+]1CCC(NC(=O)C2(C)C[NH2+]C2)CC1 ZINC000399301128 329450452 /nfs/dbraw/zinc/45/04/52/329450452.db2.gz OXMPYXHHAKTBGK-UHFFFAOYSA-N 2 1 268.361 -1.078 20 0 CAADMP C[C@H](C[NH3+])C(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000584408458 329464418 /nfs/dbraw/zinc/46/44/18/329464418.db2.gz CXFFJKLLMUMFPT-SECBINFHSA-N 2 1 290.389 -1.973 20 0 CAADMP CC[N@@H+]1CCO[C@@H](C(=O)N2CCN(C)C[C@@H]2C[NH3+])C1 ZINC000162507185 330063384 /nfs/dbraw/zinc/06/33/84/330063384.db2.gz QFFAMILNAGJXPN-NWDGAFQWSA-N 2 1 270.377 -1.192 20 0 CAADMP CC[N@H+]1CCO[C@@H](C(=O)N2CCN(C)C[C@@H]2C[NH3+])C1 ZINC000162507185 330063386 /nfs/dbraw/zinc/06/33/86/330063386.db2.gz QFFAMILNAGJXPN-NWDGAFQWSA-N 2 1 270.377 -1.192 20 0 CAADMP NC(=O)NC(=O)CC[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000575401078 335100882 /nfs/dbraw/zinc/10/08/82/335100882.db2.gz GLUPDBOWUKQQEE-VIFPVBQESA-N 2 1 258.322 -1.382 20 0 CAADMP [NH3+]C[C@H]1C[N@@H+](CCC(=O)N2CC[NH2+]CC2)CCCO1 ZINC000572524318 333185121 /nfs/dbraw/zinc/18/51/21/333185121.db2.gz CSWYMHOZRLHSNV-LBPRGKRZSA-N 3 1 270.377 -1.142 20 0 CAADMP [NH3+]CCNC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000575923381 335131439 /nfs/dbraw/zinc/13/14/39/335131439.db2.gz IFLHXIVJTUCDLS-LBPRGKRZSA-N 2 1 298.387 -1.225 20 0 CAADMP [NH3+]CCNC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000575923380 335131450 /nfs/dbraw/zinc/13/14/50/335131450.db2.gz IFLHXIVJTUCDLS-GFCCVEGCSA-N 2 1 298.387 -1.225 20 0 CAADMP CN1CC[NH2+]C[C@@H]1CNC(=O)CC(F)(F)C[NH3+] ZINC000575998313 335137161 /nfs/dbraw/zinc/13/71/61/335137161.db2.gz UKEIDHYGMWEYOH-MRVPVSSYSA-N 2 1 250.293 -1.010 20 0 CAADMP CN1CC[NH2+]C[C@H]1CNC(=O)CC(F)(F)C[NH3+] ZINC000575998314 335137216 /nfs/dbraw/zinc/13/72/16/335137216.db2.gz UKEIDHYGMWEYOH-QMMMGPOBSA-N 2 1 250.293 -1.010 20 0 CAADMP CC[NH+]1CCN(C(=O)[C@@H](C)N(C)C[C@@H](O)C[NH3+])CC1 ZINC000572528982 333382676 /nfs/dbraw/zinc/38/26/76/333382676.db2.gz DMCSSOJEDQLONK-NEPJUHHUSA-N 2 1 272.393 -1.210 20 0 CAADMP COCC[N@@H+](C)CCNC(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000576242048 335176959 /nfs/dbraw/zinc/17/69/59/335176959.db2.gz MRXDJSBQEFUUHN-JTQLQIEISA-N 2 1 272.349 -1.841 20 0 CAADMP C[C@@H](NC(=O)[C@@H]1C[N@H+](C)CCO1)C(=O)NCC[NH+](C)C ZINC000552077481 334286675 /nfs/dbraw/zinc/28/66/75/334286675.db2.gz MAAAFFNGWYNVTK-MNOVXSKESA-N 2 1 286.376 -1.501 20 0 CAADMP C[C@@H](NC(=O)[C@@H]1C[N@@H+](C)CCO1)C(=O)NCC[NH+](C)C ZINC000552077481 334286677 /nfs/dbraw/zinc/28/66/77/334286677.db2.gz MAAAFFNGWYNVTK-MNOVXSKESA-N 2 1 286.376 -1.501 20 0 CAADMP [NH3+]CC(F)(F)CC(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000565148947 334540593 /nfs/dbraw/zinc/54/05/93/334540593.db2.gz WQLKIGWRPZVEHR-UHFFFAOYSA-N 2 1 264.276 -1.482 20 0 CAADMP CC[N@@H+]1CCO[C@H](C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)C1 ZINC000576359989 335194484 /nfs/dbraw/zinc/19/44/84/335194484.db2.gz IAKKEKOSWJFQLV-UTUOFQBUSA-N 2 1 296.371 -1.523 20 0 CAADMP CC[N@H+]1CCO[C@H](C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)C1 ZINC000576359989 335194486 /nfs/dbraw/zinc/19/44/86/335194486.db2.gz IAKKEKOSWJFQLV-UTUOFQBUSA-N 2 1 296.371 -1.523 20 0 CAADMP CC[N@@H+]1CCO[C@H](C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)C1 ZINC000576359988 335194501 /nfs/dbraw/zinc/19/45/01/335194501.db2.gz IAKKEKOSWJFQLV-TUAOUCFPSA-N 2 1 296.371 -1.523 20 0 CAADMP CC[N@H+]1CCO[C@H](C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)C1 ZINC000576359988 335194502 /nfs/dbraw/zinc/19/45/02/335194502.db2.gz IAKKEKOSWJFQLV-TUAOUCFPSA-N 2 1 296.371 -1.523 20 0 CAADMP O=C(COC1C[NH2+]C1)NCC[N@H+]1CCCOCC1 ZINC000576397442 335198677 /nfs/dbraw/zinc/19/86/77/335198677.db2.gz NLNTUALVUPYXNX-UHFFFAOYSA-N 2 1 257.334 -1.187 20 0 CAADMP C[C@H]1CC[N@@H+](C)CCN1C(=O)C(=O)NC1C[NH2+]C1 ZINC000577356742 335342003 /nfs/dbraw/zinc/34/20/03/335342003.db2.gz BRUAZBNQAPSAIE-VIFPVBQESA-N 2 1 254.334 -1.373 20 0 CAADMP O=C([C@H]1CC[NH2+]1)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000577394347 335347801 /nfs/dbraw/zinc/34/78/01/335347801.db2.gz YZCGRUKCFZSZIN-WDEREUQCSA-N 2 1 266.345 -1.229 20 0 CAADMP CC(C)[C@H]([NH3+])C(=O)NCC(=O)NCC(F)(F)C[NH3+] ZINC000577634965 335383870 /nfs/dbraw/zinc/38/38/70/335383870.db2.gz JVNRTGBCVAPLOS-QMMMGPOBSA-N 2 1 266.292 -1.204 20 0 CAADMP COCC[N@@H+](C)C[C@H](O)CN[C@@H]1COC[C@@H]1OC ZINC000577766213 335399189 /nfs/dbraw/zinc/39/91/89/335399189.db2.gz WXHINEQKHVZPPR-UTUOFQBUSA-N 2 1 262.350 -1.071 20 0 CAADMP COCCN(C)C[C@H](O)C[NH2+][C@@H]1COC[C@@H]1OC ZINC000577766213 335399191 /nfs/dbraw/zinc/39/91/91/335399191.db2.gz WXHINEQKHVZPPR-UTUOFQBUSA-N 2 1 262.350 -1.071 20 0 CAADMP C[NH+](C)[C@H]1CN(C(=O)[C@@H]2C[N@H+]3CCN2CCC3)C[C@@H]1O ZINC000581260552 336033832 /nfs/dbraw/zinc/03/38/32/336033832.db2.gz CYVKXZGNKMFQGC-AVGNSLFASA-N 2 1 282.388 -1.490 20 0 CAADMP C[N@H+]1CC[C@@H](C(=O)N2CCCO[C@H](C[NH2+]CC(N)=O)C2)C1 ZINC001202057172 782110462 /nfs/dbraw/zinc/11/04/62/782110462.db2.gz DOQGQLBZYDQGAY-VXGBXAGGSA-N 2 1 298.387 -1.370 20 0 CAADMP Cn1cc(C[N@@H+]2CC[C@@H]([NH3+])[C@H](O)C2)c(=O)n(C)c1=O ZINC001205967803 782126447 /nfs/dbraw/zinc/12/64/47/782126447.db2.gz YDFNDJPMHZJLPQ-NXEZZACHSA-N 2 1 268.317 -2.022 20 0 CAADMP Cn1cc(C[N@H+]2CC[C@@H]([NH3+])[C@H](O)C2)c(=O)n(C)c1=O ZINC001205967803 782126452 /nfs/dbraw/zinc/12/64/52/782126452.db2.gz YDFNDJPMHZJLPQ-NXEZZACHSA-N 2 1 268.317 -2.022 20 0 CAADMP CC[N@@H+]1CCO[C@@H](C(=O)NCC[NH+](C)CCO)C1 ZINC000899735125 582122360 /nfs/dbraw/zinc/12/23/60/582122360.db2.gz XPVDUFNRDYHECF-LLVKDONJSA-N 2 1 259.350 -1.253 20 0 CAADMP CC[N@H+]1CCO[C@@H](C(=O)NCC[NH+](C)CCO)C1 ZINC000899735125 582122361 /nfs/dbraw/zinc/12/23/61/582122361.db2.gz XPVDUFNRDYHECF-LLVKDONJSA-N 2 1 259.350 -1.253 20 0 CAADMP CC[NH+]1CCO[C@@H](C(=O)NCC[N@H+](C)CCO)C1 ZINC000899735125 582122363 /nfs/dbraw/zinc/12/23/63/582122363.db2.gz XPVDUFNRDYHECF-LLVKDONJSA-N 2 1 259.350 -1.253 20 0 CAADMP CC[NH+]1CCO[C@@H](C(=O)NCC[N@@H+](C)CCO)C1 ZINC000899735125 582122364 /nfs/dbraw/zinc/12/23/64/582122364.db2.gz XPVDUFNRDYHECF-LLVKDONJSA-N 2 1 259.350 -1.253 20 0 CAADMP CNC(=O)C[NH2+]C/C=C/CNC(=O)CC[NH+]1CCOCC1 ZINC001274438287 782146721 /nfs/dbraw/zinc/14/67/21/782146721.db2.gz GRBMMTZJURSRDA-NSCUHMNNSA-N 2 1 298.387 -1.283 20 0 CAADMP C[NH+](C)CCN1CC[C@@]2(CC[N@@H+](C[C@H](O)CO)C2)C1=O ZINC001274563749 782151801 /nfs/dbraw/zinc/15/18/01/782151801.db2.gz BGXWFCPZGURRMX-GXTWGEPZSA-N 2 1 285.388 -1.174 20 0 CAADMP CC[N@@H+]1CCO[C@H](C(=O)NC/C=C\C[NH2+][C@@H](C)C(N)=O)C1 ZINC001274598719 782152981 /nfs/dbraw/zinc/15/29/81/782152981.db2.gz DHDDLLOMXFEPES-DFPOMNKCSA-N 2 1 298.387 -1.157 20 0 CAADMP CC[N@H+]1CCO[C@H](C(=O)NC/C=C\C[NH2+][C@@H](C)C(N)=O)C1 ZINC001274598719 782152983 /nfs/dbraw/zinc/15/29/83/782152983.db2.gz DHDDLLOMXFEPES-DFPOMNKCSA-N 2 1 298.387 -1.157 20 0 CAADMP C[C@H]1C[NH2+]CCN1C(=O)C(=O)N1C[C@@H]2CC[N@@H+](C)[C@@H]2C1 ZINC000423660361 534005666 /nfs/dbraw/zinc/00/56/66/534005666.db2.gz KFEIVYSMMFCROK-SDDRHHMPSA-N 2 1 280.372 -1.031 20 0 CAADMP C[C@H]1C[C@@H](NC(=O)CNC(=O)C[NH3+])C[N@H+]1C1CC1 ZINC000347662753 534103218 /nfs/dbraw/zinc/10/32/18/534103218.db2.gz FCBXRIHLLVHBBR-DTWKUNHWSA-N 2 1 254.334 -1.197 20 0 CAADMP C[C@H]1[C@H](NC(=O)C(=O)N(C)[C@H]2C[NH2+]C[C@@H]2O)CCC[N@H+]1C ZINC000419542888 534149861 /nfs/dbraw/zinc/14/98/61/534149861.db2.gz FYLQHDDAPBODJL-USZNOCQGSA-N 2 1 298.387 -1.624 20 0 CAADMP O=C(CCOC1C[NH2+]C1)N1CC[NH+](CCO)CC1 ZINC000262310233 534435936 /nfs/dbraw/zinc/43/59/36/534435936.db2.gz CULIRMRNCRMWQK-UHFFFAOYSA-N 2 1 257.334 -1.499 20 0 CAADMP NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)[C@H]1COCC[NH2+]1 ZINC000430890427 534455483 /nfs/dbraw/zinc/45/54/83/534455483.db2.gz SWQQJVHEYDRLDS-GHMZBOCLSA-N 2 1 284.360 -1.569 20 0 CAADMP NC(=O)[C@H]1CCC[N@H+]1CCCNC(=O)[C@H]1COCC[NH2+]1 ZINC000430890427 534455492 /nfs/dbraw/zinc/45/54/92/534455492.db2.gz SWQQJVHEYDRLDS-GHMZBOCLSA-N 2 1 284.360 -1.569 20 0 CAADMP O=C(CNC(=O)[C@H]1CCC[NH2+]1)N1CC[NH+](CCO)CC1 ZINC000262305894 534580258 /nfs/dbraw/zinc/58/02/58/534580258.db2.gz CGJFHEWKBKZJLS-LLVKDONJSA-N 2 1 284.360 -2.009 20 0 CAADMP O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)[C@H]1C[NH2+]CCO1 ZINC000252566931 534601566 /nfs/dbraw/zinc/60/15/66/534601566.db2.gz ZYIVUGIDTLTXGV-IJLUTSLNSA-N 2 1 269.345 -1.046 20 0 CAADMP O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)[C@@H]1COCC[NH2+]1 ZINC000091668217 534602279 /nfs/dbraw/zinc/60/22/79/534602279.db2.gz ONLJAMWXWXAIMC-TUAOUCFPSA-N 2 1 269.345 -1.046 20 0 CAADMP O=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)[C@@H]1COCC[NH2+]1 ZINC000091668217 534602280 /nfs/dbraw/zinc/60/22/80/534602280.db2.gz ONLJAMWXWXAIMC-TUAOUCFPSA-N 2 1 269.345 -1.046 20 0 CAADMP O=C(COC1C[NH2+]C1)NCCC[NH+]1CCOCC1 ZINC000430852790 534611083 /nfs/dbraw/zinc/61/10/83/534611083.db2.gz UNTRHSLLWGKECT-UHFFFAOYSA-N 2 1 257.334 -1.187 20 0 CAADMP [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)[C@H]2COCC[NH2+]2)C1 ZINC000429005661 534634616 /nfs/dbraw/zinc/63/46/16/534634616.db2.gz KCSPSEWCNKZJAY-WDEREUQCSA-N 2 1 284.360 -1.712 20 0 CAADMP O=C(NCC[NH+]1CCSCC1)[C@H]1C[C@H](O)C[NH2+]1 ZINC000226389998 526322544 /nfs/dbraw/zinc/32/25/44/526322544.db2.gz SFPJLVHRVPLTOF-VHSXEESVSA-N 2 1 259.375 -1.126 20 0 CAADMP CC(C)([NH3+])C(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000424033200 527237920 /nfs/dbraw/zinc/23/79/20/527237920.db2.gz XIKHNBYLEDAFRV-UHFFFAOYSA-N 2 1 290.389 -1.831 20 0 CAADMP CC[N@@H+]1CCO[C@@H](C(=O)NCCN2CC[NH2+]CC2)C1 ZINC000125786987 527725038 /nfs/dbraw/zinc/72/50/38/527725038.db2.gz WPDLGEHQYIRGLM-GFCCVEGCSA-N 2 1 270.377 -1.272 20 0 CAADMP CC[N@H+]1CCO[C@@H](C(=O)NCCN2CC[NH2+]CC2)C1 ZINC000125786987 527725042 /nfs/dbraw/zinc/72/50/42/527725042.db2.gz WPDLGEHQYIRGLM-GFCCVEGCSA-N 2 1 270.377 -1.272 20 0 CAADMP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@]2(O)CC[NH+](C)C2)C1 ZINC000356081147 527728398 /nfs/dbraw/zinc/72/83/98/527728398.db2.gz SLUMNMGAXMYCNX-DGCLKSJQSA-N 2 1 271.361 -1.110 20 0 CAADMP CC[N@H+]1CCO[C@@H](C(=O)NC[C@]2(O)CC[NH+](C)C2)C1 ZINC000356081147 527728401 /nfs/dbraw/zinc/72/84/01/527728401.db2.gz SLUMNMGAXMYCNX-DGCLKSJQSA-N 2 1 271.361 -1.110 20 0 CAADMP CC[NH+]1CCO[C@@H](C(=O)NC[C@]2(O)CC[N@H+](C)C2)C1 ZINC000356081147 527728405 /nfs/dbraw/zinc/72/84/05/527728405.db2.gz SLUMNMGAXMYCNX-DGCLKSJQSA-N 2 1 271.361 -1.110 20 0 CAADMP CC[NH+]1CCO[C@@H](C(=O)NC[C@]2(O)CC[N@@H+](C)C2)C1 ZINC000356081147 527728408 /nfs/dbraw/zinc/72/84/08/527728408.db2.gz SLUMNMGAXMYCNX-DGCLKSJQSA-N 2 1 271.361 -1.110 20 0 CAADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)CNC(=O)C[NH3+])C1 ZINC000262277205 528013409 /nfs/dbraw/zinc/01/34/09/528013409.db2.gz XSLACJKFVKZHRG-NSHDSACASA-N 2 1 286.376 -1.466 20 0 CAADMP CC1=CC[N@@H+](CCNC(=O)C(=O)N(CC[NH3+])CCO)CC1 ZINC000419226126 528113880 /nfs/dbraw/zinc/11/38/80/528113880.db2.gz QFSOEKAYGXZFSD-UHFFFAOYSA-N 2 1 298.387 -1.466 20 0 CAADMP CC[N@@H+](CCNC(=O)C(=O)N1CCO[C@@H](C[NH3+])C1)C1CC1 ZINC000419509188 528481058 /nfs/dbraw/zinc/48/10/58/528481058.db2.gz DMERUFPAVPWTAX-LBPRGKRZSA-N 2 1 298.387 -1.227 20 0 CAADMP CC(C)[NH+]1CCN(C(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)CC1 ZINC000423699359 529031221 /nfs/dbraw/zinc/03/12/21/529031221.db2.gz PKXMFBHKJYAPFI-LBPRGKRZSA-N 2 1 298.387 -1.275 20 0 CAADMP CC[NH+]1CCN(C(=O)[C@@H](C)N(C)[C@H]2C[NH2+]C[C@@H]2O)CC1 ZINC000420345815 529130739 /nfs/dbraw/zinc/13/07/39/529130739.db2.gz BJAXSILDTZNCLD-AGIUHOORSA-N 2 1 284.404 -1.197 20 0 CAADMP CC[C@H]1CN(C(=O)CNC(=O)C[NH3+])CC[N@H+]1C[C@H](C)O ZINC000262377409 529269477 /nfs/dbraw/zinc/26/94/77/529269477.db2.gz JVBSBXKLJORRDK-QWRGUYRKSA-N 2 1 286.376 -1.635 20 0 CAADMP [NH3+]CCOCC(=O)NC[C@H]1C[N@H+]2CCN1CCC2 ZINC000394382470 545498328 /nfs/dbraw/zinc/49/83/28/545498328.db2.gz RMCNFLOQLDYABO-NSHDSACASA-N 2 1 256.350 -1.532 20 0 CAADMP O=C(NC[C@@H]1C[N@H+]2CCN1CCC2)[C@H]1C[NH2+]CCO1 ZINC000394388947 545498459 /nfs/dbraw/zinc/49/84/59/545498459.db2.gz NRHBYZPUXJONOH-VXGBXAGGSA-N 2 1 268.361 -1.519 20 0 CAADMP CO[C@@H](C[NH3+])CC(=O)NC[C@@H]1C[N@H+]2CCN1CCC2 ZINC000394371998 545497992 /nfs/dbraw/zinc/49/79/92/545497992.db2.gz GPZSQDJORNWALF-VXGBXAGGSA-N 2 1 270.377 -1.144 20 0 CAADMP COCC[NH2+]CC(=O)NC[C@H]1C[N@H+]2CCN1CCC2 ZINC000394371543 545498062 /nfs/dbraw/zinc/49/80/62/545498062.db2.gz DXGLOZJPNDWCPD-LBPRGKRZSA-N 2 1 270.377 -1.272 20 0 CAADMP O=C(C[C@H]1C[NH2+]CCO1)NC[C@@H]1C[N@H+]2CCN1CCC2 ZINC000394384409 545498556 /nfs/dbraw/zinc/49/85/56/545498556.db2.gz JFEZCQBGOIUGMG-OLZOCXBDSA-N 2 1 282.388 -1.129 20 0 CAADMP O=C(C[C@@H]1C[NH2+]CCO1)NC[C@@H]1C[N@H+]2CCN1CCC2 ZINC000394384408 545498568 /nfs/dbraw/zinc/49/85/68/545498568.db2.gz JFEZCQBGOIUGMG-CHWSQXEVSA-N 2 1 282.388 -1.129 20 0 CAADMP [NH3+]CCOCC(=O)NC[C@@H]1C[N@H+]2CCN1CCC2 ZINC000394382465 545498586 /nfs/dbraw/zinc/49/85/86/545498586.db2.gz RMCNFLOQLDYABO-LLVKDONJSA-N 2 1 256.350 -1.532 20 0 CAADMP O=C(C[C@@H]1COCC[NH2+]1)NC[C@H]1C[N@H+]2CCN1CCC2 ZINC000394391812 545498667 /nfs/dbraw/zinc/49/86/67/545498667.db2.gz MBUNFQDMCVQUFD-OLZOCXBDSA-N 2 1 282.388 -1.129 20 0 CAADMP O=C(C[C@@H]1COCC[NH2+]1)NC[C@@H]1C[N@H+]2CCN1CCC2 ZINC000394391811 545498734 /nfs/dbraw/zinc/49/87/34/545498734.db2.gz MBUNFQDMCVQUFD-CHWSQXEVSA-N 2 1 282.388 -1.129 20 0 CAADMP O=C(NC[C@H]1C[N@H+]2CCN1CCC2)[C@H]1C[NH2+]CCO1 ZINC000394388940 545498797 /nfs/dbraw/zinc/49/87/97/545498797.db2.gz NRHBYZPUXJONOH-NWDGAFQWSA-N 2 1 268.361 -1.519 20 0 CAADMP [NH3+]CCOCC[N@@H+](CCO)CCN1CCOCC1 ZINC000357099083 545507505 /nfs/dbraw/zinc/50/75/05/545507505.db2.gz CJRSFSTZGFCQIZ-UHFFFAOYSA-N 2 1 261.366 -1.412 20 0 CAADMP CCO[C@@H]1C[N@@H+](Cc2cn(C)c(=O)n(C)c2=O)C[C@H]1C[NH3+] ZINC000650714984 545507718 /nfs/dbraw/zinc/50/77/18/545507718.db2.gz KFULBACGYZRFSF-ZYHUDNBSSA-N 2 1 296.371 -1.120 20 0 CAADMP C[N@H+]1CCC[C@H](NC(=O)C(=O)NC[C@@H]2COCC[NH2+]2)C1 ZINC000627476003 545525714 /nfs/dbraw/zinc/52/57/14/545525714.db2.gz YEDAKIGTAUBQFA-WDEREUQCSA-N 2 1 284.360 -1.699 20 0 CAADMP C[N@H+]1CCC[C@@H](NC(=O)C(=O)NC[C@@H]2COCC[NH2+]2)C1 ZINC000627476000 545526067 /nfs/dbraw/zinc/52/60/67/545526067.db2.gz YEDAKIGTAUBQFA-GHMZBOCLSA-N 2 1 284.360 -1.699 20 0 CAADMP CN(C[C@H]1CCC[N@H+]1C)C(=O)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000627475870 545526122 /nfs/dbraw/zinc/52/61/22/545526122.db2.gz WEWOCFCIFRHICD-VXGBXAGGSA-N 2 1 298.387 -1.356 20 0 CAADMP C[N@H+]1CCC[C@H](NC(=O)C(=O)NC[C@H]2COCC[NH2+]2)C1 ZINC000627476002 545526536 /nfs/dbraw/zinc/52/65/36/545526536.db2.gz YEDAKIGTAUBQFA-QWRGUYRKSA-N 2 1 284.360 -1.699 20 0 CAADMP C[N@H+](CCOCC[NH3+])CCN1CCCS1(=O)=O ZINC000647995197 545534657 /nfs/dbraw/zinc/53/46/57/545534657.db2.gz DMNBURLMBNBVEO-UHFFFAOYSA-N 2 1 265.379 -1.071 20 0 CAADMP C[N@@H+](CCOCC[NH3+])CCN1CCCS1(=O)=O ZINC000647995197 545534660 /nfs/dbraw/zinc/53/46/60/545534660.db2.gz DMNBURLMBNBVEO-UHFFFAOYSA-N 2 1 265.379 -1.071 20 0 CAADMP CNC(=O)N[C@@H]1CC[N@@H+](CCC(=O)N2CC[NH2+]CC2)C1 ZINC000647988830 545533502 /nfs/dbraw/zinc/53/35/02/545533502.db2.gz UWLYWQYYOZREBM-LLVKDONJSA-N 2 1 283.376 -1.188 20 0 CAADMP O=C([C@H]1C[NH+]2CCN1CCC2)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000652890720 545539882 /nfs/dbraw/zinc/53/98/82/545539882.db2.gz LFOVPQCVSMCCAA-ZIAGYGMSSA-N 2 1 294.399 -1.346 20 0 CAADMP O=C([C@H]1C[NH+]2CCN1CCC2)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000652890720 545539884 /nfs/dbraw/zinc/53/98/84/545539884.db2.gz LFOVPQCVSMCCAA-ZIAGYGMSSA-N 2 1 294.399 -1.346 20 0 CAADMP O=C([C@H]1C[N@@H+]2CCN1CCC2)N1CC([NH+]2CC[C@@H](O)C2)C1 ZINC000652890720 545539887 /nfs/dbraw/zinc/53/98/87/545539887.db2.gz LFOVPQCVSMCCAA-ZIAGYGMSSA-N 2 1 294.399 -1.346 20 0 CAADMP O=C([C@H]1C[N@H+]2CCN1CCC2)N1CC([NH+]2CC[C@@H](O)C2)C1 ZINC000652890720 545539890 /nfs/dbraw/zinc/53/98/90/545539890.db2.gz LFOVPQCVSMCCAA-ZIAGYGMSSA-N 2 1 294.399 -1.346 20 0 CAADMP O=C([C@@H]1C[NH+]2CCN1CCC2)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000652890719 545539399 /nfs/dbraw/zinc/53/93/99/545539399.db2.gz LFOVPQCVSMCCAA-KGLIPLIRSA-N 2 1 294.399 -1.346 20 0 CAADMP O=C([C@@H]1C[NH+]2CCN1CCC2)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000652890719 545539405 /nfs/dbraw/zinc/53/94/05/545539405.db2.gz LFOVPQCVSMCCAA-KGLIPLIRSA-N 2 1 294.399 -1.346 20 0 CAADMP O=C([C@@H]1C[N@@H+]2CCN1CCC2)N1CC([NH+]2CC[C@@H](O)C2)C1 ZINC000652890719 545539409 /nfs/dbraw/zinc/53/94/09/545539409.db2.gz LFOVPQCVSMCCAA-KGLIPLIRSA-N 2 1 294.399 -1.346 20 0 CAADMP O=C([C@@H]1C[N@H+]2CCN1CCC2)N1CC([NH+]2CC[C@@H](O)C2)C1 ZINC000652890719 545539413 /nfs/dbraw/zinc/53/94/13/545539413.db2.gz LFOVPQCVSMCCAA-KGLIPLIRSA-N 2 1 294.399 -1.346 20 0 CAADMP C[N@H+]1CCC[C@@H]1CC[NH+]1C[C@H](C(N)=O)[C@H](C(N)=O)C1 ZINC000639843812 545541241 /nfs/dbraw/zinc/54/12/41/545541241.db2.gz GYORPHAOXAXZDT-MXWKQRLJSA-N 2 1 268.361 -1.011 20 0 CAADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1C[C@H](C(N)=O)[C@H](C(N)=O)C1 ZINC000639843812 545541243 /nfs/dbraw/zinc/54/12/43/545541243.db2.gz GYORPHAOXAXZDT-MXWKQRLJSA-N 2 1 268.361 -1.011 20 0 CAADMP C[NH+]1CCC[C@@H]1CC[N@H+]1C[C@H](C(N)=O)[C@H](C(N)=O)C1 ZINC000639843812 545541244 /nfs/dbraw/zinc/54/12/44/545541244.db2.gz GYORPHAOXAXZDT-MXWKQRLJSA-N 2 1 268.361 -1.011 20 0 CAADMP C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CC[C@@H]4C[NH2+]C[C@@H]43)C[C@@H]21 ZINC000582600393 545544734 /nfs/dbraw/zinc/54/47/34/545544734.db2.gz GIPFGGUGLARQJQ-NDBYEHHHSA-N 2 1 292.383 -1.031 20 0 CAADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)COC1(C)C[NH2+]C1 ZINC000098061785 545550062 /nfs/dbraw/zinc/55/00/62/545550062.db2.gz QCVLMSFKYVGFBX-LLVKDONJSA-N 2 1 270.377 -1.273 20 0 CAADMP O=C(C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)N1CC[NH2+]CC1 ZINC000405321639 545558779 /nfs/dbraw/zinc/55/87/79/545558779.db2.gz VCOGFCASCQCGSM-WDEREUQCSA-N 2 1 282.344 -2.304 20 0 CAADMP C[NH+]1CCN(C(=O)CCNC(=O)[C@H]2CCO[C@H]2C[NH3+])CC1 ZINC000662680494 545576685 /nfs/dbraw/zinc/57/66/85/545576685.db2.gz ZSGKBEYKLGWIOK-RYUDHWBXSA-N 2 1 298.387 -1.370 20 0 CAADMP O=C(N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)C1(O)C[NH2+]C1 ZINC000662717999 545577632 /nfs/dbraw/zinc/57/76/32/545577632.db2.gz VCKXTXNCVDOINV-GHMZBOCLSA-N 2 1 269.345 -1.622 20 0 CAADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)C1(O)C[NH2+]C1 ZINC000662710243 545578220 /nfs/dbraw/zinc/57/82/20/545578220.db2.gz GEVFMNZTVHPZGJ-SNVBAGLBSA-N 2 1 257.334 -1.452 20 0 CAADMP O=C(CCOC1C[NH2+]C1)NC[C@H]1C[N@H+]2CCN1CCC2 ZINC000662907879 545581242 /nfs/dbraw/zinc/58/12/42/545581242.db2.gz YDGRKFGINFMROW-LBPRGKRZSA-N 2 1 282.388 -1.129 20 0 CAADMP [NH3+]C[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1C[N@H+]2CCN1CCC2 ZINC000662906785 545581617 /nfs/dbraw/zinc/58/16/17/545581617.db2.gz LPQLVUUYTSCLSQ-AGIUHOORSA-N 2 1 282.388 -1.144 20 0 CAADMP [NH3+]C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1C[N@H+]2CCN1CCC2 ZINC000662906789 545581710 /nfs/dbraw/zinc/58/17/10/545581710.db2.gz LPQLVUUYTSCLSQ-XQQFMLRXSA-N 2 1 282.388 -1.144 20 0 CAADMP CNS(=O)(=O)CCC[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000634727048 582109760 /nfs/dbraw/zinc/10/97/60/582109760.db2.gz JGLSCMRDRNWXFK-LLVKDONJSA-N 2 1 279.406 -1.030 20 0 CAADMP O=C(NCC[N@@H+]1CC[C@@H](O)C1)C1C[NH+]([C@H]2CCOC2)C1 ZINC000899145521 582120331 /nfs/dbraw/zinc/12/03/31/582120331.db2.gz LORCZFAHLCUCPI-QWHCGFSZSA-N 2 1 283.372 -1.110 20 0 CAADMP O=C(NCC[N@@H+]1CC[C@H](O)C1)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000899154114 582120477 /nfs/dbraw/zinc/12/04/77/582120477.db2.gz LORCZFAHLCUCPI-OLZOCXBDSA-N 2 1 283.372 -1.110 20 0 CAADMP C[N@@H+](CCO)CCNC(=O)[C@H]1C[NH+]2CCN1CCC2 ZINC000899736775 582122391 /nfs/dbraw/zinc/12/23/91/582122391.db2.gz TZKAQDCEMRKJCY-GFCCVEGCSA-N 2 1 270.377 -1.583 20 0 CAADMP C[NH+](CCO)CCNC(=O)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000899736775 582122392 /nfs/dbraw/zinc/12/23/92/582122392.db2.gz TZKAQDCEMRKJCY-GFCCVEGCSA-N 2 1 270.377 -1.583 20 0 CAADMP C[NH+](CCO)CCNC(=O)[C@H]1C[N@H+]2CCN1CCC2 ZINC000899736775 582122393 /nfs/dbraw/zinc/12/23/93/582122393.db2.gz TZKAQDCEMRKJCY-GFCCVEGCSA-N 2 1 270.377 -1.583 20 0 CAADMP C[C@H]1OCC[NH2+][C@@H]1C(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000494062404 582123579 /nfs/dbraw/zinc/12/35/79/582123579.db2.gz IBBQBXBWQPOXGJ-WOPDTQHZSA-N 2 1 298.387 -1.181 20 0 CAADMP C[C@H]1OCC[NH2+][C@@H]1C(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O ZINC000494062404 582123580 /nfs/dbraw/zinc/12/35/80/582123580.db2.gz IBBQBXBWQPOXGJ-WOPDTQHZSA-N 2 1 298.387 -1.181 20 0 CAADMP C[N@@H+]1CC[C@@](O)(CNC(=O)CC[NH+]2CCOCC2)C1 ZINC000762719977 582148294 /nfs/dbraw/zinc/14/82/94/582148294.db2.gz UBWKRXYMQQSWJX-CYBMUJFWSA-N 2 1 271.361 -1.109 20 0 CAADMP C[N@H+]1CC[C@@](O)(CNC(=O)CC[NH+]2CCOCC2)C1 ZINC000762719977 582148295 /nfs/dbraw/zinc/14/82/95/582148295.db2.gz UBWKRXYMQQSWJX-CYBMUJFWSA-N 2 1 271.361 -1.109 20 0 CAADMP COC(=O)C[C@H]([NH3+])C(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000827936245 582193656 /nfs/dbraw/zinc/19/36/56/582193656.db2.gz HOEYZQFWZHQJKS-DCAQKATOSA-N 2 1 285.344 -1.144 20 0 CAADMP [NH3+][C@@H]1C[C@@H]1C(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000829764588 582197156 /nfs/dbraw/zinc/19/71/56/582197156.db2.gz PVALYXATVQZVRM-FRRDWIJNSA-N 2 1 282.388 -1.144 20 0 CAADMP [NH3+]CCCN1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000843055200 582213444 /nfs/dbraw/zinc/21/34/44/582213444.db2.gz GQZFANXUSNJJKX-UHFFFAOYSA-N 2 1 262.379 -1.746 20 0 CAADMP CC[NH2+]CC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000843501932 582214952 /nfs/dbraw/zinc/21/49/52/582214952.db2.gz RTXXSEASSOPPPM-UHFFFAOYSA-N 2 1 290.389 -1.958 20 0 CAADMP C[C@@H](C[NH3+])NC(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000848613514 582226817 /nfs/dbraw/zinc/22/68/17/582226817.db2.gz JUAXQPMTHOWCTK-LPEHRKFASA-N 2 1 270.333 -2.273 20 0 CAADMP C[N@H+]1CC[C@@](O)(CNC(=[NH2+])NCCCN2CCOCC2)C1 ZINC000849019238 582227339 /nfs/dbraw/zinc/22/73/39/582227339.db2.gz VJJLXYBEJZIURK-CQSZACIVSA-N 2 1 299.419 -1.111 20 0 CAADMP C[N@@H+]1CC[C@@](O)(CNC(=[NH2+])NCCC[NH+]2CCOCC2)C1 ZINC000849019238 582227340 /nfs/dbraw/zinc/22/73/40/582227340.db2.gz VJJLXYBEJZIURK-CQSZACIVSA-N 3 1 299.419 -1.111 20 0 CAADMP C[N@H+]1CC[C@@](O)(CNC(=[NH2+])NCCC[NH+]2CCOCC2)C1 ZINC000849019238 582227341 /nfs/dbraw/zinc/22/73/41/582227341.db2.gz VJJLXYBEJZIURK-CQSZACIVSA-N 3 1 299.419 -1.111 20 0 CAADMP CON(C)C(=O)CNC(=[NH2+])NCCC[NH+]1CCOCC1 ZINC000849043494 582227386 /nfs/dbraw/zinc/22/73/86/582227386.db2.gz DSSPCGXVYBSJAW-UHFFFAOYSA-N 2 1 287.364 -1.158 20 0 CAADMP C[NH2+]C[C@H](C)NC(=O)C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000851684553 582228961 /nfs/dbraw/zinc/22/89/61/582228961.db2.gz JAPXUUQGURTVKS-QJPTWQEYSA-N 2 1 298.387 -1.310 20 0 CAADMP O=C(NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)C(=O)N[C@H]1CC[NH2+]C1 ZINC000851686001 582229166 /nfs/dbraw/zinc/22/91/66/582229166.db2.gz YIPVSKUINVKVRN-TUAOUCFPSA-N 2 1 296.371 -1.556 20 0 CAADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)N(CC[NH3+])CCO)C1 ZINC000851692280 582229470 /nfs/dbraw/zinc/22/94/70/582229470.db2.gz XZOXBRGUBRQMRO-LLVKDONJSA-N 2 1 286.376 -1.634 20 0 CAADMP [NH3+]C[C@@H]1CC(C(=O)NCCC[NH+]2CCOCC2)=NO1 ZINC000852856705 582231268 /nfs/dbraw/zinc/23/12/68/582231268.db2.gz UGSXWJWRPASCKS-JTQLQIEISA-N 2 1 270.333 -1.072 20 0 CAADMP [NH3+]C[C@H]1CC(C(=O)NCCC[NH+]2CCOCC2)=NO1 ZINC000852856706 582231273 /nfs/dbraw/zinc/23/12/73/582231273.db2.gz UGSXWJWRPASCKS-SNVBAGLBSA-N 2 1 270.333 -1.072 20 0 CAADMP COCC[N@H+]1CC[C@@H](NC(=O)C2=NO[C@@H](C[NH3+])C2)C1 ZINC000852867525 582231435 /nfs/dbraw/zinc/23/14/35/582231435.db2.gz XCBNDOJSCVXVPT-NXEZZACHSA-N 2 1 270.333 -1.073 20 0 CAADMP COCC[N@H+]1CC[C@H](NC(=O)C2=NO[C@H](C[NH3+])C2)C1 ZINC000852867527 582231458 /nfs/dbraw/zinc/23/14/58/582231458.db2.gz XCBNDOJSCVXVPT-UWVGGRQHSA-N 2 1 270.333 -1.073 20 0 CAADMP O=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)C1(O)C[NH2+]C1 ZINC000852863653 582231616 /nfs/dbraw/zinc/23/16/16/582231616.db2.gz HVKCWANUUIIPAC-VHSXEESVSA-N 2 1 255.318 -1.700 20 0 CAADMP Cn1ccnc1[C@@H]1C[NH2+]CCN1C(=O)C1=NO[C@@H](C[NH3+])C1 ZINC000852877980 582231853 /nfs/dbraw/zinc/23/18/53/582231853.db2.gz KSTGTBXMNWNSMW-KOLCDFICSA-N 2 1 292.343 -1.003 20 0 CAADMP [NH3+]C[C@H]1CC(C(=O)NCC[N@H+]2CCCOCC2)=NO1 ZINC000852886587 582232009 /nfs/dbraw/zinc/23/20/09/582232009.db2.gz PXUIBMHKVQPWCP-SNVBAGLBSA-N 2 1 270.333 -1.072 20 0 CAADMP CCN(CC[NH3+])C(=O)C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000861755039 582244865 /nfs/dbraw/zinc/24/48/65/582244865.db2.gz LYWJHIUHNPYFHA-VXGBXAGGSA-N 2 1 298.387 -1.227 20 0 CAADMP C[C@H]([NH3+])CN(C)C(=O)C(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000861754775 582244876 /nfs/dbraw/zinc/24/48/76/582244876.db2.gz JOQFNVUESYFJML-TUAOUCFPSA-N 2 1 298.387 -1.229 20 0 CAADMP C[C@H]([NH3+])CN(C)C(=O)C(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000861754709 582244905 /nfs/dbraw/zinc/24/49/05/582244905.db2.gz JOQFNVUESYFJML-SRVKXCTJSA-N 2 1 298.387 -1.229 20 0 CAADMP COCC[N@@H+](C)CCCNC(=O)C(=O)N(C)C[C@H](C)[NH3+] ZINC000861765852 582245005 /nfs/dbraw/zinc/24/50/05/582245005.db2.gz ICSKHGSKBFABFD-NSHDSACASA-N 2 1 288.392 -1.124 20 0 CAADMP O=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000861756374 582245028 /nfs/dbraw/zinc/24/50/28/582245028.db2.gz YIPVSKUINVKVRN-GRYCIOLGSA-N 2 1 296.371 -1.556 20 0 CAADMP O=C(NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000861756376 582245041 /nfs/dbraw/zinc/24/50/41/582245041.db2.gz YIPVSKUINVKVRN-UTUOFQBUSA-N 2 1 296.371 -1.556 20 0 CAADMP O=C(CC[NH+]1CCOCC1)NCC[N@H+]1CC[C@@H](O)C1 ZINC000863323717 582248572 /nfs/dbraw/zinc/24/85/72/582248572.db2.gz SCICBNNDPBUTTR-GFCCVEGCSA-N 2 1 271.361 -1.109 20 0 CAADMP O=C(CC[NH+]1CCOCC1)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000863323717 582248573 /nfs/dbraw/zinc/24/85/73/582248573.db2.gz SCICBNNDPBUTTR-GFCCVEGCSA-N 2 1 271.361 -1.109 20 0 CAADMP C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC000864059916 582250688 /nfs/dbraw/zinc/25/06/88/582250688.db2.gz UDRFNWRAGDGYOI-FMCLSXCISA-N 2 1 283.372 -1.281 20 0 CAADMP C[N@H+]1C[C@H](O)C[C@@]1(C)C(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC000864059919 582250782 /nfs/dbraw/zinc/25/07/82/582250782.db2.gz UDRFNWRAGDGYOI-SFTQSGBHSA-N 2 1 283.372 -1.281 20 0 CAADMP C[NH2+]C[C@@](C)(O)C[N@H+]1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1 ZINC000866701654 582253974 /nfs/dbraw/zinc/25/39/74/582253974.db2.gz LVDNPESECWVCTP-VDDIYKPWSA-N 2 1 255.318 -1.497 20 0 CAADMP C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CC[NH2+]CC3)CC[C@H]21 ZINC000868385077 582256161 /nfs/dbraw/zinc/25/61/61/582256161.db2.gz JJZJLAOOMXYACI-VXGBXAGGSA-N 2 1 280.372 -1.029 20 0 CAADMP C[C@@H](CNC(=O)[C@@H](N)C[NH+](C)C)C[NH+]1CCOCC1 ZINC000876747233 582263067 /nfs/dbraw/zinc/26/30/67/582263067.db2.gz YQLNBJGPLPKDLF-RYUDHWBXSA-N 2 1 272.393 -1.040 20 0 CAADMP COC[C@@]1(C(=O)NCC(F)(F)C[NH3+])C[NH2+]CCO1 ZINC000876809044 582263261 /nfs/dbraw/zinc/26/32/61/582263261.db2.gz QBGQYXFBADVURE-SECBINFHSA-N 2 1 267.276 -1.298 20 0 CAADMP O=C(CN1CC[NH2+]CC1)N1CC[NH2+]C[C@H]1C(F)F ZINC000876854938 582263395 /nfs/dbraw/zinc/26/33/95/582263395.db2.gz XQNAYKBMGFZBPQ-VIFPVBQESA-N 2 1 262.304 -1.043 20 0 CAADMP CCN(C)C[C@H](O)C[N@@H+]1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1 ZINC000879535188 582267705 /nfs/dbraw/zinc/26/77/05/582267705.db2.gz IUFGGAWBZWYQGK-GARJFASQSA-N 2 1 269.345 -1.154 20 0 CAADMP CCN(C)C[C@H](O)C[N@H+]1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1 ZINC000879535188 582267706 /nfs/dbraw/zinc/26/77/06/582267706.db2.gz IUFGGAWBZWYQGK-GARJFASQSA-N 2 1 269.345 -1.154 20 0 CAADMP CC[N@H+](C)C[C@H](O)C[NH+]1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1 ZINC000879535188 582267708 /nfs/dbraw/zinc/26/77/08/582267708.db2.gz IUFGGAWBZWYQGK-GARJFASQSA-N 2 1 269.345 -1.154 20 0 CAADMP CC[N@@H+](C)C[C@H](O)C[NH+]1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1 ZINC000879535188 582267709 /nfs/dbraw/zinc/26/77/09/582267709.db2.gz IUFGGAWBZWYQGK-GARJFASQSA-N 2 1 269.345 -1.154 20 0 CAADMP CC[NH+](C)C[C@H](O)C[N@@H+]1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1 ZINC000879535188 582267710 /nfs/dbraw/zinc/26/77/10/582267710.db2.gz IUFGGAWBZWYQGK-GARJFASQSA-N 2 1 269.345 -1.154 20 0 CAADMP CC[NH+](C)C[C@H](O)C[N@H+]1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1 ZINC000879535188 582267712 /nfs/dbraw/zinc/26/77/12/582267712.db2.gz IUFGGAWBZWYQGK-GARJFASQSA-N 2 1 269.345 -1.154 20 0 CAADMP COCC[N@@H+](C)CCNC(=O)C(=O)NCCC(C)(C)[NH3+] ZINC000884562796 582275378 /nfs/dbraw/zinc/27/53/78/582275378.db2.gz KZLRPCAZUQKFGL-UHFFFAOYSA-N 2 1 288.392 -1.076 20 0 CAADMP COCC[N@@H+](C)CCNC(=O)C(=O)N1C[C@H]([NH3+])C[C@H]1C ZINC000884563033 582275452 /nfs/dbraw/zinc/27/54/52/582275452.db2.gz SDGVWKAXIABTAF-GHMZBOCLSA-N 2 1 286.376 -1.371 20 0 CAADMP C[C@H](NC(=O)C(=O)N1C[C@H]([NH3+])C[C@H]1C)[C@@H]1C[N@H+](C)CCO1 ZINC000884571711 582275458 /nfs/dbraw/zinc/27/54/58/582275458.db2.gz WHTCHIMEGHBWMI-KXNHARMFSA-N 2 1 298.387 -1.230 20 0 CAADMP C[C@H](NC(=O)C(=O)N1C[C@H]([NH3+])C[C@H]1C)[C@@H]1C[N@@H+](C)CCO1 ZINC000884571711 582275459 /nfs/dbraw/zinc/27/54/59/582275459.db2.gz WHTCHIMEGHBWMI-KXNHARMFSA-N 2 1 298.387 -1.230 20 0 CAADMP C[C@@H](NC(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)[C@H]1C[N@H+](C)CCO1 ZINC000884570983 582275517 /nfs/dbraw/zinc/27/55/17/582275517.db2.gz DQKBWNYACJZLOX-NOOOWODRSA-N 2 1 296.371 -1.606 20 0 CAADMP C[C@@H](NC(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)[C@H]1C[N@@H+](C)CCO1 ZINC000884570983 582275518 /nfs/dbraw/zinc/27/55/18/582275518.db2.gz DQKBWNYACJZLOX-NOOOWODRSA-N 2 1 296.371 -1.606 20 0 CAADMP COCC[N@@H+](C)CCNC(=O)C(=O)N1C[C@H]([NH3+])C[C@@H]1C ZINC000884563036 582275537 /nfs/dbraw/zinc/27/55/37/582275537.db2.gz SDGVWKAXIABTAF-WDEREUQCSA-N 2 1 286.376 -1.371 20 0 CAADMP C[C@H](NC(=O)C(=O)N1C[C@H]([NH3+])C[C@H]1C)[C@H]1C[N@H+](C)CCO1 ZINC000884571713 582275600 /nfs/dbraw/zinc/27/56/00/582275600.db2.gz WHTCHIMEGHBWMI-WRWGMCAJSA-N 2 1 298.387 -1.230 20 0 CAADMP C[C@H](NC(=O)C(=O)N1C[C@H]([NH3+])C[C@H]1C)[C@H]1C[N@@H+](C)CCO1 ZINC000884571713 582275601 /nfs/dbraw/zinc/27/56/01/582275601.db2.gz WHTCHIMEGHBWMI-WRWGMCAJSA-N 2 1 298.387 -1.230 20 0 CAADMP C[C@@H](NC(=O)C(=O)N1CCC[C@@H]1C[NH3+])[C@H]1C[N@H+](C)CCO1 ZINC000884571442 582275607 /nfs/dbraw/zinc/27/56/07/582275607.db2.gz PONCXWIICTYDMU-IJLUTSLNSA-N 2 1 298.387 -1.229 20 0 CAADMP C[C@@H](NC(=O)C(=O)N1CCC[C@@H]1C[NH3+])[C@H]1C[N@@H+](C)CCO1 ZINC000884571442 582275608 /nfs/dbraw/zinc/27/56/08/582275608.db2.gz PONCXWIICTYDMU-IJLUTSLNSA-N 2 1 298.387 -1.229 20 0 CAADMP COCC[N@H+]1CC[C@H](NC(=O)C(=O)N2C[C@@H]([NH3+])C[C@H]2C)C1 ZINC000884642358 582275751 /nfs/dbraw/zinc/27/57/51/582275751.db2.gz HBRXXRRFCGEHRL-WOPDTQHZSA-N 2 1 298.387 -1.229 20 0 CAADMP [NH3+]C[C@H]1CCCN1C(=O)C(=O)NCCC[NH+]1CCOCC1 ZINC000884652479 582275771 /nfs/dbraw/zinc/27/57/71/582275771.db2.gz UVHRGUOBCMBYPJ-GFCCVEGCSA-N 2 1 298.387 -1.225 20 0 CAADMP COCC[N@H+]1CC[C@H](NC(=O)C(=O)N2C[C@H]([NH3+])C[C@@H]2C)C1 ZINC000884642356 582275779 /nfs/dbraw/zinc/27/57/79/582275779.db2.gz HBRXXRRFCGEHRL-TUAOUCFPSA-N 2 1 298.387 -1.229 20 0 CAADMP COCC[N@H+]1CC[C@H](NC(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)C1 ZINC000884643137 582275801 /nfs/dbraw/zinc/27/58/01/582275801.db2.gz YEALGQLIFDRGMF-SRVKXCTJSA-N 2 1 296.371 -1.604 20 0 CAADMP C[N@H+]1CC[C@H]2CN(C(=O)C(=O)NCC[NH3+])CC[C@@H]21 ZINC000884673411 582275807 /nfs/dbraw/zinc/27/58/07/582275807.db2.gz WFSQRFLCVZLXIW-UWVGGRQHSA-N 2 1 254.334 -1.386 20 0 CAADMP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CCC[C@@H]2C[NH3+])C1 ZINC000884642536 582275813 /nfs/dbraw/zinc/27/58/13/582275813.db2.gz LMDLWYKVKGKCGZ-VXGBXAGGSA-N 2 1 298.387 -1.227 20 0 CAADMP COCC[N@H+]1CC[C@H](NC(=O)C(=O)N2C[C@@H]([NH3+])C[C@@H]2C)C1 ZINC000884642355 582275830 /nfs/dbraw/zinc/27/58/30/582275830.db2.gz HBRXXRRFCGEHRL-SRVKXCTJSA-N 2 1 298.387 -1.229 20 0 CAADMP C[NH2+]CCNC(=O)C(=O)N1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000884686511 582276064 /nfs/dbraw/zinc/27/60/64/582276064.db2.gz MKJBYYWLOJXQPI-MNOVXSKESA-N 2 1 268.361 -1.125 20 0 CAADMP C[N@H+]1CC[C@H]2CN(C(=O)C(=O)NC3C[NH2+]C3)CC[C@H]21 ZINC000884693197 582276270 /nfs/dbraw/zinc/27/62/70/582276270.db2.gz QADVWOOBMMWUMR-GXSJLCMTSA-N 2 1 266.345 -1.373 20 0 CAADMP CC[N@@H+]1CCO[C@H](C(=O)N2CC[C@@H]([NH2+]CC(N)=O)C2)C1 ZINC000970765185 615181472 /nfs/dbraw/zinc/18/14/72/615181472.db2.gz HCDDDJPIDNQPCP-MNOVXSKESA-N 2 1 284.360 -1.617 20 0 CAADMP CC[N@H+]1CCO[C@H](C(=O)N2CC[C@@H]([NH2+]CC(N)=O)C2)C1 ZINC000970765185 615181473 /nfs/dbraw/zinc/18/14/73/615181473.db2.gz HCDDDJPIDNQPCP-MNOVXSKESA-N 2 1 284.360 -1.617 20 0 CAADMP C[NH+](C)[C@H](Cn1cccn1)C(=O)N1CC[C@@H]([NH2+]CCO)C1 ZINC000968909775 615991502 /nfs/dbraw/zinc/99/15/02/615991502.db2.gz RIDMOGVZMCSGPY-CHWSQXEVSA-N 2 1 295.387 -1.004 20 0 CAADMP C[NH+]1CCC(C(=O)NC[C@@H]2C[N@@H+](CCO)C[C@@H]2O)CC1 ZINC000958375787 616167169 /nfs/dbraw/zinc/16/71/69/616167169.db2.gz WCFMDILIOXPMIS-OLZOCXBDSA-N 2 1 285.388 -1.271 20 0 CAADMP C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]CC(N)=O)C1 ZINC000967926472 616192334 /nfs/dbraw/zinc/19/23/34/616192334.db2.gz VYJMWHGLYXRPCE-NXEZZACHSA-N 2 1 254.334 -1.244 20 0 CAADMP Cn1nnnc1C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC000967925892 616209781 /nfs/dbraw/zinc/20/97/81/616209781.db2.gz UEHSEWWXEUUBKU-MNOVXSKESA-N 2 1 293.375 -1.005 20 0 CAADMP Cn1nnnc1C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC000967925892 616209782 /nfs/dbraw/zinc/20/97/82/616209782.db2.gz UEHSEWWXEUUBKU-MNOVXSKESA-N 2 1 293.375 -1.005 20 0 CAADMP C[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CC(N)=O)C1 ZINC000967926477 616209949 /nfs/dbraw/zinc/20/99/49/616209949.db2.gz VYJMWHGLYXRPCE-ZJUUUORDSA-N 2 1 254.334 -1.244 20 0 CAADMP C[N@@H+]1CCO[C@@H](C(=O)N2CC[C@@H]([NH2+]CCO)C2)C1 ZINC000968304508 616251378 /nfs/dbraw/zinc/25/13/78/616251378.db2.gz WUKUAQCNKVFMIW-GHMZBOCLSA-N 2 1 257.334 -1.500 20 0 CAADMP C[N@H+]1CCO[C@@H](C(=O)N2CC[C@@H]([NH2+]CCO)C2)C1 ZINC000968304508 616251379 /nfs/dbraw/zinc/25/13/79/616251379.db2.gz WUKUAQCNKVFMIW-GHMZBOCLSA-N 2 1 257.334 -1.500 20 0 CAADMP C[N@H+](CCO)[C@H]1CCN(C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC000971266228 616251616 /nfs/dbraw/zinc/25/16/16/616251616.db2.gz GYLOQWBDEVOQRT-NWDGAFQWSA-N 2 1 271.361 -1.158 20 0 CAADMP C[N@@H+](CCO)[C@H]1CCN(C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC000971266228 616251617 /nfs/dbraw/zinc/25/16/17/616251617.db2.gz GYLOQWBDEVOQRT-NWDGAFQWSA-N 2 1 271.361 -1.158 20 0 CAADMP C[NH+](CCO)[C@H]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC000971266228 616251618 /nfs/dbraw/zinc/25/16/18/616251618.db2.gz GYLOQWBDEVOQRT-NWDGAFQWSA-N 2 1 271.361 -1.158 20 0 CAADMP C[NH+](CCO)[C@H]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000971266228 616251619 /nfs/dbraw/zinc/25/16/19/616251619.db2.gz GYLOQWBDEVOQRT-NWDGAFQWSA-N 2 1 271.361 -1.158 20 0 CAADMP C[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2[C@H]3C[NH+](CCCO)C[C@H]32)C1 ZINC000977960513 616252432 /nfs/dbraw/zinc/25/24/32/616252432.db2.gz ZNVFQNRQALRAJC-YIYPIFLZSA-N 2 1 297.399 -1.007 20 0 CAADMP C[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2[C@H]3C[NH+](CCCO)C[C@H]32)C1 ZINC000977960513 616252433 /nfs/dbraw/zinc/25/24/33/616252433.db2.gz ZNVFQNRQALRAJC-YIYPIFLZSA-N 2 1 297.399 -1.007 20 0 CAADMP C[NH+]1CCO[C@@H](C(=O)NC[C@@H]2[C@H]3C[N@@H+](CCCO)C[C@H]32)C1 ZINC000977960513 616252434 /nfs/dbraw/zinc/25/24/34/616252434.db2.gz ZNVFQNRQALRAJC-YIYPIFLZSA-N 2 1 297.399 -1.007 20 0 CAADMP C[NH+]1CCO[C@@H](C(=O)NC[C@@H]2[C@H]3C[N@H+](CCCO)C[C@H]32)C1 ZINC000977960513 616252435 /nfs/dbraw/zinc/25/24/35/616252435.db2.gz ZNVFQNRQALRAJC-YIYPIFLZSA-N 2 1 297.399 -1.007 20 0 CAADMP C[N@H+](CCO)[C@H]1CCN(C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC000971266229 616258267 /nfs/dbraw/zinc/25/82/67/616258267.db2.gz GYLOQWBDEVOQRT-RYUDHWBXSA-N 2 1 271.361 -1.158 20 0 CAADMP C[N@@H+](CCO)[C@H]1CCN(C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC000971266229 616258268 /nfs/dbraw/zinc/25/82/68/616258268.db2.gz GYLOQWBDEVOQRT-RYUDHWBXSA-N 2 1 271.361 -1.158 20 0 CAADMP C[NH+](CCO)[C@H]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000971266229 616258269 /nfs/dbraw/zinc/25/82/69/616258269.db2.gz GYLOQWBDEVOQRT-RYUDHWBXSA-N 2 1 271.361 -1.158 20 0 CAADMP C[NH+](CCO)[C@H]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000971266229 616258270 /nfs/dbraw/zinc/25/82/70/616258270.db2.gz GYLOQWBDEVOQRT-RYUDHWBXSA-N 2 1 271.361 -1.158 20 0 CAADMP C[N@H+](CC(N)=O)[C@@H]1CCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC000980398565 616265061 /nfs/dbraw/zinc/26/50/61/616265061.db2.gz YBIJIPRAGYECGA-GHMZBOCLSA-N 2 1 268.361 -1.044 20 0 CAADMP C[N@@H+](CC(N)=O)[C@@H]1CCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC000980398565 616265062 /nfs/dbraw/zinc/26/50/62/616265062.db2.gz YBIJIPRAGYECGA-GHMZBOCLSA-N 2 1 268.361 -1.044 20 0 CAADMP C[NH+](CC(N)=O)[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC000980398565 616265063 /nfs/dbraw/zinc/26/50/63/616265063.db2.gz YBIJIPRAGYECGA-GHMZBOCLSA-N 2 1 268.361 -1.044 20 0 CAADMP C[NH+](CC(N)=O)[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000980398565 616265064 /nfs/dbraw/zinc/26/50/64/616265064.db2.gz YBIJIPRAGYECGA-GHMZBOCLSA-N 2 1 268.361 -1.044 20 0 CAADMP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2[C@H]3CN(CC(N)=O)C[C@H]32)C1 ZINC000962551225 616267853 /nfs/dbraw/zinc/26/78/53/616267853.db2.gz HRCNGYUNKIPSCY-SVDPJWKOSA-N 2 1 266.345 -1.530 20 0 CAADMP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2[C@H]3C[NH+](CC(N)=O)C[C@H]32)C1 ZINC000962551225 616267854 /nfs/dbraw/zinc/26/78/54/616267854.db2.gz HRCNGYUNKIPSCY-SVDPJWKOSA-N 2 1 266.345 -1.530 20 0 CAADMP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2[C@H]3C[NH+](CC(N)=O)C[C@H]32)C1 ZINC000962551225 616267855 /nfs/dbraw/zinc/26/78/55/616267855.db2.gz HRCNGYUNKIPSCY-SVDPJWKOSA-N 2 1 266.345 -1.530 20 0 CAADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2[C@H]3C[N@H+](CC(N)=O)C[C@H]32)C1 ZINC000962551225 616267856 /nfs/dbraw/zinc/26/78/56/616267856.db2.gz HRCNGYUNKIPSCY-SVDPJWKOSA-N 2 1 266.345 -1.530 20 0 CAADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(N)=O)C[C@H]32)C1 ZINC000962551225 616267857 /nfs/dbraw/zinc/26/78/57/616267857.db2.gz HRCNGYUNKIPSCY-SVDPJWKOSA-N 2 1 266.345 -1.530 20 0 CAADMP C[N@H+](CC(N)=O)[C@@H]1CCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC000980398568 616362014 /nfs/dbraw/zinc/36/20/14/616362014.db2.gz YBIJIPRAGYECGA-WDEREUQCSA-N 2 1 268.361 -1.044 20 0 CAADMP C[N@@H+](CC(N)=O)[C@@H]1CCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC000980398568 616362019 /nfs/dbraw/zinc/36/20/19/616362019.db2.gz YBIJIPRAGYECGA-WDEREUQCSA-N 2 1 268.361 -1.044 20 0 CAADMP C[NH+](CC(N)=O)[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC000980398568 616362021 /nfs/dbraw/zinc/36/20/21/616362021.db2.gz YBIJIPRAGYECGA-WDEREUQCSA-N 2 1 268.361 -1.044 20 0 CAADMP C[NH+](CC(N)=O)[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000980398568 616362024 /nfs/dbraw/zinc/36/20/24/616362024.db2.gz YBIJIPRAGYECGA-WDEREUQCSA-N 2 1 268.361 -1.044 20 0 CAADMP CNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C12CC[NH+](CC1)C2 ZINC000962293397 616641083 /nfs/dbraw/zinc/64/10/83/616641083.db2.gz BBASJDSNEIBHCK-PJXYFTJBSA-N 2 1 292.383 -1.125 20 0 CAADMP CNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C12CC[NH+](CC1)C2 ZINC000962293397 616641086 /nfs/dbraw/zinc/64/10/86/616641086.db2.gz BBASJDSNEIBHCK-PJXYFTJBSA-N 2 1 292.383 -1.125 20 0 CAADMP CNC(=O)CN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[N@H+]1C ZINC000958377667 616645035 /nfs/dbraw/zinc/64/50/35/616645035.db2.gz HLLNMFOJNUNVPB-XZUYRWCXSA-N 2 1 280.372 -1.127 20 0 CAADMP CNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[NH+]1C ZINC000958377667 616645037 /nfs/dbraw/zinc/64/50/37/616645037.db2.gz HLLNMFOJNUNVPB-XZUYRWCXSA-N 2 1 280.372 -1.127 20 0 CAADMP CNC(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[N@@H+]1C ZINC000958377667 616645046 /nfs/dbraw/zinc/64/50/46/616645046.db2.gz HLLNMFOJNUNVPB-XZUYRWCXSA-N 2 1 280.372 -1.127 20 0 CAADMP CNC(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[N@H+]1C ZINC000958377667 616645049 /nfs/dbraw/zinc/64/50/49/616645049.db2.gz HLLNMFOJNUNVPB-XZUYRWCXSA-N 2 1 280.372 -1.127 20 0 CAADMP C[N@@H+](CCNS(=O)(=O)N1CC[NH2+]CC1)C1CC1 ZINC000062010767 656320900 /nfs/dbraw/zinc/32/09/00/656320900.db2.gz PKMRMWFVGZLAOV-UHFFFAOYSA-N 2 1 262.379 -1.180 20 0 CAADMP Cc1c[nH+]cn1CC(=O)N[C@H]1C[C@H]([NH2+]CC(N)=O)C1 ZINC001020397014 655995740 /nfs/dbraw/zinc/99/57/40/655995740.db2.gz NUFZCFCJYPPOHN-MGCOHNPYSA-N 2 1 265.317 -1.086 20 0 CAADMP CC(C)[N@@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]CC(N)=O)C2)C1 ZINC001020508274 655998830 /nfs/dbraw/zinc/99/88/30/655998830.db2.gz RLMKQZSOOGEKRA-IJLUTSLNSA-N 2 1 298.387 -1.182 20 0 CAADMP CC(C)[N@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]CC(N)=O)C2)C1 ZINC001020508274 655998834 /nfs/dbraw/zinc/99/88/34/655998834.db2.gz RLMKQZSOOGEKRA-IJLUTSLNSA-N 2 1 298.387 -1.182 20 0 CAADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC(N)=O)C1 ZINC001020592878 656005278 /nfs/dbraw/zinc/00/52/78/656005278.db2.gz QYHWEIDRXYDZRG-DBIOUOCHSA-N 2 1 268.361 -1.094 20 0 CAADMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC(N)=O)C1 ZINC001020592880 656005739 /nfs/dbraw/zinc/00/57/39/656005739.db2.gz QYHWEIDRXYDZRG-NAKRPEOUSA-N 2 1 268.361 -1.094 20 0 CAADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H]([NH2+][C@@H](C)C(N)=O)C2)C1 ZINC001021074635 656012586 /nfs/dbraw/zinc/01/25/86/656012586.db2.gz VCLBPHFXFICVHE-FIQHERPVSA-N 2 1 298.387 -1.182 20 0 CAADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H]([NH2+][C@@H](C)C(N)=O)C2)C1 ZINC001021074635 656012591 /nfs/dbraw/zinc/01/25/91/656012591.db2.gz VCLBPHFXFICVHE-FIQHERPVSA-N 2 1 298.387 -1.182 20 0 CAADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H]([NH2+][C@H](C)C(N)=O)C2)C1 ZINC001021074636 656012706 /nfs/dbraw/zinc/01/27/06/656012706.db2.gz VCLBPHFXFICVHE-KKOKHZNYSA-N 2 1 298.387 -1.182 20 0 CAADMP CC[N@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H]([NH2+][C@H](C)C(N)=O)C2)C1 ZINC001021074636 656012708 /nfs/dbraw/zinc/01/27/08/656012708.db2.gz VCLBPHFXFICVHE-KKOKHZNYSA-N 2 1 298.387 -1.182 20 0 CAADMP C[C@@H]([NH2+][C@@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1)C(N)=O ZINC000970261340 656013486 /nfs/dbraw/zinc/01/34/86/656013486.db2.gz DHASEQALXBSIAN-VXGBXAGGSA-N 2 1 298.387 -1.227 20 0 CAADMP Cn1nnnc1C[NH2+][C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC000970719852 656017715 /nfs/dbraw/zinc/01/77/15/656017715.db2.gz MCAGTDFPIKHSAH-LLVKDONJSA-N 2 1 293.375 -1.004 20 0 CAADMP C[C@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1)C(N)=O ZINC001021927093 656024315 /nfs/dbraw/zinc/02/43/15/656024315.db2.gz BLZIJIZJLVIGGV-UKKRHICBSA-N 2 1 284.360 -1.572 20 0 CAADMP C[C@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1)C(N)=O ZINC001021927093 656024317 /nfs/dbraw/zinc/02/43/17/656024317.db2.gz BLZIJIZJLVIGGV-UKKRHICBSA-N 2 1 284.360 -1.572 20 0 CAADMP C[C@@H](O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001021929039 656024350 /nfs/dbraw/zinc/02/43/50/656024350.db2.gz XRUYOGOIKOCFMG-WYUUTHIRSA-N 2 1 271.361 -1.065 20 0 CAADMP C[C@@H](O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001021929039 656024353 /nfs/dbraw/zinc/02/43/53/656024353.db2.gz XRUYOGOIKOCFMG-WYUUTHIRSA-N 2 1 271.361 -1.065 20 0 CAADMP C[N@@H+]1CCO[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]CC(N)=O)C2)C1 ZINC001021928105 656024528 /nfs/dbraw/zinc/02/45/28/656024528.db2.gz MMMNYUYXPUSYTM-AEJSXWLSSA-N 2 1 270.333 -1.961 20 0 CAADMP C[N@H+]1CCO[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]CC(N)=O)C2)C1 ZINC001021928105 656024529 /nfs/dbraw/zinc/02/45/29/656024529.db2.gz MMMNYUYXPUSYTM-AEJSXWLSSA-N 2 1 270.333 -1.961 20 0 CAADMP C[N@@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]CCO)C2)C1 ZINC001021928939 656024549 /nfs/dbraw/zinc/02/45/49/656024549.db2.gz UZNLTPQLQDYIDM-OUAUKWLOSA-N 2 1 257.334 -1.454 20 0 CAADMP C[N@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]CCO)C2)C1 ZINC001021928939 656024550 /nfs/dbraw/zinc/02/45/50/656024550.db2.gz UZNLTPQLQDYIDM-OUAUKWLOSA-N 2 1 257.334 -1.454 20 0 CAADMP CC[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1)C(N)=O ZINC001021927144 656024620 /nfs/dbraw/zinc/02/46/20/656024620.db2.gz BUTGAHIWCYNWOR-KXNHARMFSA-N 2 1 298.387 -1.182 20 0 CAADMP CC[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1)C(N)=O ZINC001021927144 656024625 /nfs/dbraw/zinc/02/46/25/656024625.db2.gz BUTGAHIWCYNWOR-KXNHARMFSA-N 2 1 298.387 -1.182 20 0 CAADMP C[C@@H](O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001021929036 656024818 /nfs/dbraw/zinc/02/48/18/656024818.db2.gz XRUYOGOIKOCFMG-WISYIIOYSA-N 2 1 271.361 -1.065 20 0 CAADMP C[C@@H](O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001021929036 656024823 /nfs/dbraw/zinc/02/48/23/656024823.db2.gz XRUYOGOIKOCFMG-WISYIIOYSA-N 2 1 271.361 -1.065 20 0 CAADMP C[C@@H]([NH2+][C@@H]1C[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1)C(N)=O ZINC001022275982 656027957 /nfs/dbraw/zinc/02/79/57/656027957.db2.gz XAMTUOSRLVMMAL-PZWNZHSQSA-N 2 1 298.387 -1.184 20 0 CAADMP C[C@@H]([NH2+][C@@H]1C[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1)C(N)=O ZINC001022275982 656027961 /nfs/dbraw/zinc/02/79/61/656027961.db2.gz XAMTUOSRLVMMAL-PZWNZHSQSA-N 2 1 298.387 -1.184 20 0 CAADMP Cc1c[nH+]cn1CC(=O)N[C@H]1C[C@@H]([NH2+]CC(N)=O)C1 ZINC001022437484 656029065 /nfs/dbraw/zinc/02/90/65/656029065.db2.gz NUFZCFCJYPPOHN-AOOOYVTPSA-N 2 1 265.317 -1.086 20 0 CAADMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC(N)=O)C1 ZINC001022720504 656033396 /nfs/dbraw/zinc/03/33/96/656033396.db2.gz QYHWEIDRXYDZRG-MMWGEVLESA-N 2 1 268.361 -1.094 20 0 CAADMP C[N@H+]1CC[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]CC(N)=O)C2)C1 ZINC001023084062 656042297 /nfs/dbraw/zinc/04/22/97/656042297.db2.gz HSLUGFSWYJQISJ-BBBLOLIVSA-N 2 1 254.334 -1.340 20 0 CAADMP Cn1nnnc1C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001023084247 656042300 /nfs/dbraw/zinc/04/23/00/656042300.db2.gz LGINEXGTRLJGDD-GARJFASQSA-N 2 1 293.375 -1.101 20 0 CAADMP Cn1nnnc1C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001023084247 656042301 /nfs/dbraw/zinc/04/23/01/656042301.db2.gz LGINEXGTRLJGDD-GARJFASQSA-N 2 1 293.375 -1.101 20 0 CAADMP Cn1nnnc1C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001023084248 656042370 /nfs/dbraw/zinc/04/23/70/656042370.db2.gz LGINEXGTRLJGDD-MXWKQRLJSA-N 2 1 293.375 -1.101 20 0 CAADMP Cn1nnnc1C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001023084248 656042372 /nfs/dbraw/zinc/04/23/72/656042372.db2.gz LGINEXGTRLJGDD-MXWKQRLJSA-N 2 1 293.375 -1.101 20 0 CAADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@H]2C[C@@H]([NH2+][C@H](C)C(N)=O)C2)C1 ZINC001023110256 656042734 /nfs/dbraw/zinc/04/27/34/656042734.db2.gz VCLBPHFXFICVHE-WYUUTHIRSA-N 2 1 298.387 -1.182 20 0 CAADMP CC[N@H+]1CCO[C@H](C(=O)N[C@H]2C[C@@H]([NH2+][C@H](C)C(N)=O)C2)C1 ZINC001023110256 656042738 /nfs/dbraw/zinc/04/27/38/656042738.db2.gz VCLBPHFXFICVHE-WYUUTHIRSA-N 2 1 298.387 -1.182 20 0 CAADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+][C@@H](C)C(N)=O)C2)C1 ZINC001023110254 656042827 /nfs/dbraw/zinc/04/28/27/656042827.db2.gz VCLBPHFXFICVHE-NNYUYHANSA-N 2 1 298.387 -1.182 20 0 CAADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+][C@@H](C)C(N)=O)C2)C1 ZINC001023110254 656042828 /nfs/dbraw/zinc/04/28/28/656042828.db2.gz VCLBPHFXFICVHE-NNYUYHANSA-N 2 1 298.387 -1.182 20 0 CAADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]CCO)C2)C1 ZINC001023110118 656042831 /nfs/dbraw/zinc/04/28/31/656042831.db2.gz PRGKMEODYVDJGR-TUAOUCFPSA-N 2 1 271.361 -1.064 20 0 CAADMP CC[N@H+]1CCO[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]CCO)C2)C1 ZINC001023110118 656042832 /nfs/dbraw/zinc/04/28/32/656042832.db2.gz PRGKMEODYVDJGR-TUAOUCFPSA-N 2 1 271.361 -1.064 20 0 CAADMP C[C@@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001025719374 656067518 /nfs/dbraw/zinc/06/75/18/656067518.db2.gz NUCKIXOBDDEWKY-BNDIWNMDSA-N 2 1 283.372 -1.256 20 0 CAADMP C[C@@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001025719374 656067519 /nfs/dbraw/zinc/06/75/19/656067519.db2.gz NUCKIXOBDDEWKY-BNDIWNMDSA-N 2 1 283.372 -1.256 20 0 CAADMP C[C@@H](O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001025719374 656067520 /nfs/dbraw/zinc/06/75/20/656067520.db2.gz NUCKIXOBDDEWKY-BNDIWNMDSA-N 2 1 283.372 -1.256 20 0 CAADMP C[C@@H](O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001025719374 656067522 /nfs/dbraw/zinc/06/75/22/656067522.db2.gz NUCKIXOBDDEWKY-BNDIWNMDSA-N 2 1 283.372 -1.256 20 0 CAADMP O=C(N[C@@H]1[C@H]2C[N@H+](CCO)C[C@H]21)[C@@H]1C[NH+]2CCC[C@H]2CO1 ZINC001025798643 656068171 /nfs/dbraw/zinc/06/81/71/656068171.db2.gz BREQHONJPUEZCG-PDWCTOEPSA-N 2 1 295.383 -1.112 20 0 CAADMP O=C(N[C@@H]1[C@H]2C[NH+](CCO)C[C@H]21)[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001025798643 656068173 /nfs/dbraw/zinc/06/81/73/656068173.db2.gz BREQHONJPUEZCG-PDWCTOEPSA-N 2 1 295.383 -1.112 20 0 CAADMP O=C(N[C@@H]1[C@H]2C[NH+](CCO)C[C@H]21)[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001025798643 656068174 /nfs/dbraw/zinc/06/81/74/656068174.db2.gz BREQHONJPUEZCG-PDWCTOEPSA-N 2 1 295.383 -1.112 20 0 CAADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N[C@@H]1[C@H]2CN(CC(N)=O)C[C@H]21 ZINC001026045123 656070887 /nfs/dbraw/zinc/07/08/87/656070887.db2.gz WWXAUMLTABYLBF-YFVNTRNASA-N 2 1 280.372 -1.284 20 0 CAADMP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+](CC(N)=O)C[C@H]21 ZINC001026045123 656070889 /nfs/dbraw/zinc/07/08/89/656070889.db2.gz WWXAUMLTABYLBF-YFVNTRNASA-N 2 1 280.372 -1.284 20 0 CAADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+](CC(N)=O)C[C@H]21 ZINC001026045123 656070892 /nfs/dbraw/zinc/07/08/92/656070892.db2.gz WWXAUMLTABYLBF-YFVNTRNASA-N 2 1 280.372 -1.284 20 0 CAADMP C[C@@H]1C[NH+](C)C[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CC(N)=O)C[C@H]21 ZINC001026045123 656070894 /nfs/dbraw/zinc/07/08/94/656070894.db2.gz WWXAUMLTABYLBF-YFVNTRNASA-N 2 1 280.372 -1.284 20 0 CAADMP C[C@@H]1C[NH+](C)C[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(N)=O)C[C@H]21 ZINC001026045123 656070896 /nfs/dbraw/zinc/07/08/96/656070896.db2.gz WWXAUMLTABYLBF-YFVNTRNASA-N 2 1 280.372 -1.284 20 0 CAADMP C[C@@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[NH+](C)C1 ZINC001026145842 656071926 /nfs/dbraw/zinc/07/19/26/656071926.db2.gz OYJQTUUTUNROEW-KKJSVHSVSA-N 2 1 280.372 -1.142 20 0 CAADMP C[C@@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[NH+](C)C1 ZINC001026145842 656071930 /nfs/dbraw/zinc/07/19/30/656071930.db2.gz OYJQTUUTUNROEW-KKJSVHSVSA-N 2 1 280.372 -1.142 20 0 CAADMP C[C@@H](C(N)=O)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001026145842 656071933 /nfs/dbraw/zinc/07/19/33/656071933.db2.gz OYJQTUUTUNROEW-KKJSVHSVSA-N 2 1 280.372 -1.142 20 0 CAADMP C[C@@H](C(N)=O)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001026145842 656071936 /nfs/dbraw/zinc/07/19/36/656071936.db2.gz OYJQTUUTUNROEW-KKJSVHSVSA-N 2 1 280.372 -1.142 20 0 CAADMP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2[C@H]3C[NH+]([C@@H]4CCNC4=O)C[C@H]32)C1 ZINC001026145928 656072097 /nfs/dbraw/zinc/07/20/97/656072097.db2.gz YEVDKETVKFFRSQ-LBELIVKGSA-N 2 1 292.383 -1.127 20 0 CAADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2[C@H]3C[N@@H+]([C@@H]4CCNC4=O)C[C@H]32)C1 ZINC001026145928 656072099 /nfs/dbraw/zinc/07/20/99/656072099.db2.gz YEVDKETVKFFRSQ-LBELIVKGSA-N 2 1 292.383 -1.127 20 0 CAADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2[C@H]3C[N@H+]([C@@H]4CCNC4=O)C[C@H]32)C1 ZINC001026145928 656072102 /nfs/dbraw/zinc/07/21/02/656072102.db2.gz YEVDKETVKFFRSQ-LBELIVKGSA-N 2 1 292.383 -1.127 20 0 CAADMP C[NH+]1CCN(C(=O)CN[C@@H]2C[NH2+]CCOC2)CC1 ZINC000925615682 656075945 /nfs/dbraw/zinc/07/59/45/656075945.db2.gz HRVZDNNULOPXPT-LLVKDONJSA-N 2 1 256.350 -1.662 20 0 CAADMP [NH3+]CCOCC(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000093232422 656081859 /nfs/dbraw/zinc/08/18/59/656081859.db2.gz WCAVHKWWWGGBTQ-QWRGUYRKSA-N 2 1 257.334 -1.059 20 0 CAADMP CN1CCO[C@H](C(=O)N2CCC[C@@H]([N@H+](C)CC(N)=O)C2)C1 ZINC001027347573 656082933 /nfs/dbraw/zinc/08/29/33/656082933.db2.gz XGIVWOWHSKNMNL-NEPJUHHUSA-N 2 1 298.387 -1.275 20 0 CAADMP CN1CCO[C@H](C(=O)N2CCC[C@@H]([N@@H+](C)CC(N)=O)C2)C1 ZINC001027347573 656082936 /nfs/dbraw/zinc/08/29/36/656082936.db2.gz XGIVWOWHSKNMNL-NEPJUHHUSA-N 2 1 298.387 -1.275 20 0 CAADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@@H]2[C@H]3C[NH+](CCO)C[C@H]32)O1 ZINC000978338751 656092036 /nfs/dbraw/zinc/09/20/36/656092036.db2.gz PGVZGFJDLOSNJF-XGFWRYKXSA-N 2 1 297.399 -1.008 20 0 CAADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@@H]2[C@H]3C[NH+](CCO)C[C@H]32)O1 ZINC000978338751 656092040 /nfs/dbraw/zinc/09/20/40/656092040.db2.gz PGVZGFJDLOSNJF-XGFWRYKXSA-N 2 1 297.399 -1.008 20 0 CAADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@@H]2[C@H]3C[N@@H+](CCO)C[C@H]32)O1 ZINC000978338751 656092045 /nfs/dbraw/zinc/09/20/45/656092045.db2.gz PGVZGFJDLOSNJF-XGFWRYKXSA-N 2 1 297.399 -1.008 20 0 CAADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@@H]2[C@H]3C[N@H+](CCO)C[C@H]32)O1 ZINC000978338751 656092053 /nfs/dbraw/zinc/09/20/53/656092053.db2.gz PGVZGFJDLOSNJF-XGFWRYKXSA-N 2 1 297.399 -1.008 20 0 CAADMP CNC(=O)C[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CN(C)CCO2)C1 ZINC001028461147 656114928 /nfs/dbraw/zinc/11/49/28/656114928.db2.gz KWPYXQHWMVWHBB-RYUDHWBXSA-N 2 1 298.387 -1.499 20 0 CAADMP CNC(=O)CN1CC[C@@H](CNC(=O)[C@@H]2CN(C)CCO2)C1 ZINC001028461147 656114929 /nfs/dbraw/zinc/11/49/29/656114929.db2.gz KWPYXQHWMVWHBB-RYUDHWBXSA-N 2 1 298.387 -1.499 20 0 CAADMP CN1CC[N@@H+](C)CC(C(=O)NCC[NH+](C)CCO)C1 ZINC000924998013 656122240 /nfs/dbraw/zinc/12/22/40/656122240.db2.gz GYWUUKPDAHVBLM-UHFFFAOYSA-N 2 1 272.393 -1.480 20 0 CAADMP CN1CC[NH+](C)CC(C(=O)NCC[N@H+](C)CCO)C1 ZINC000924998013 656122241 /nfs/dbraw/zinc/12/22/41/656122241.db2.gz GYWUUKPDAHVBLM-UHFFFAOYSA-N 2 1 272.393 -1.480 20 0 CAADMP CN1CC[NH+](C)CC(C(=O)NCC[N@@H+](C)CCO)C1 ZINC000924998013 656122242 /nfs/dbraw/zinc/12/22/42/656122242.db2.gz GYWUUKPDAHVBLM-UHFFFAOYSA-N 2 1 272.393 -1.480 20 0 CAADMP C[N@@H+](CCO)CCNC(=O)[C@@]1(C)C[C@@H](O)C[NH+]1C ZINC000925004309 656123296 /nfs/dbraw/zinc/12/32/96/656123296.db2.gz VZFIHTAKKJYDJN-ZYHUDNBSSA-N 2 1 259.350 -1.518 20 0 CAADMP C[NH+](CCO)CCNC(=O)[C@@]1(C)C[C@@H](O)C[N@@H+]1C ZINC000925004309 656123297 /nfs/dbraw/zinc/12/32/97/656123297.db2.gz VZFIHTAKKJYDJN-ZYHUDNBSSA-N 2 1 259.350 -1.518 20 0 CAADMP C[NH+](CCO)CCNC(=O)[C@@]1(C)C[C@@H](O)C[N@H+]1C ZINC000925004309 656123298 /nfs/dbraw/zinc/12/32/98/656123298.db2.gz VZFIHTAKKJYDJN-ZYHUDNBSSA-N 2 1 259.350 -1.518 20 0 CAADMP CCN1CCO[C@H](C(=O)NC[C@H]2CC[N@@H+](CC(N)=O)C2)C1 ZINC001028996940 656123550 /nfs/dbraw/zinc/12/35/50/656123550.db2.gz MHGKFDLYMSLVNQ-NEPJUHHUSA-N 2 1 298.387 -1.370 20 0 CAADMP CCN1CCO[C@H](C(=O)NC[C@@H]2CC[N@@H+](CC(N)=O)C2)C1 ZINC001028996942 656124115 /nfs/dbraw/zinc/12/41/15/656124115.db2.gz MHGKFDLYMSLVNQ-RYUDHWBXSA-N 2 1 298.387 -1.370 20 0 CAADMP CN1CCO[C@@H](C(=O)N[C@H]2CCC[N@@H+](CCO)C2)C1 ZINC001007005916 656129923 /nfs/dbraw/zinc/12/99/23/656129923.db2.gz AAOLDGBCNLXSNY-NWDGAFQWSA-N 2 1 271.361 -1.110 20 0 CAADMP CN1CCO[C@@H](C(=O)N[C@H]2CCCN(CCO)C2)C1 ZINC001007005916 656129925 /nfs/dbraw/zinc/12/99/25/656129925.db2.gz AAOLDGBCNLXSNY-NWDGAFQWSA-N 2 1 271.361 -1.110 20 0 CAADMP C[C@@H]1C[C@H]([NH2+]CC(N)=O)CN1C(=O)CC[NH+]1CCOCC1 ZINC000989559647 656150128 /nfs/dbraw/zinc/15/01/28/656150128.db2.gz UAHXDIXNFJDRIX-NEPJUHHUSA-N 2 1 298.387 -1.227 20 0 CAADMP C[C@H]1C[C@H]([NH2+]CC(N)=O)CN1C(=O)CC[NH+]1CCOCC1 ZINC000989559651 656150250 /nfs/dbraw/zinc/15/02/50/656150250.db2.gz UAHXDIXNFJDRIX-RYUDHWBXSA-N 2 1 298.387 -1.227 20 0 CAADMP C[N@@H+]1CCO[C@@H](C(=O)N2CCC([NH2+]CC(N)=O)CC2)C1 ZINC000990572191 656162316 /nfs/dbraw/zinc/16/23/16/656162316.db2.gz ZHUGPNAHQHEIOY-LLVKDONJSA-N 2 1 284.360 -1.617 20 0 CAADMP C[N@H+]1CCO[C@@H](C(=O)N2CCC([NH2+]CC(N)=O)CC2)C1 ZINC000990572191 656162319 /nfs/dbraw/zinc/16/23/19/656162319.db2.gz ZHUGPNAHQHEIOY-LLVKDONJSA-N 2 1 284.360 -1.617 20 0 CAADMP C[C@@H]([NH2+]C1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1)C(N)=O ZINC000990571537 656162502 /nfs/dbraw/zinc/16/25/02/656162502.db2.gz UQMWLKHBBSKRAT-ZYHUDNBSSA-N 2 1 298.387 -1.229 20 0 CAADMP C[C@@H]([NH2+]C1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1)C(N)=O ZINC000990571537 656162503 /nfs/dbraw/zinc/16/25/03/656162503.db2.gz UQMWLKHBBSKRAT-ZYHUDNBSSA-N 2 1 298.387 -1.229 20 0 CAADMP COC[C@H]1C[NH2+]CCN1S(=O)(=O)C[C@H]1C[NH2+]CCO1 ZINC000903597865 656185571 /nfs/dbraw/zinc/18/55/71/656185571.db2.gz FUCZAFYERHHQGR-GHMZBOCLSA-N 2 1 293.389 -1.775 20 0 CAADMP COCC[C@@H]1C[NH2+]CCN1S(=O)(=O)C1C[NH2+]C1 ZINC000903576191 656185620 /nfs/dbraw/zinc/18/56/20/656185620.db2.gz ONCZTNWAHNSYBS-SECBINFHSA-N 2 1 263.363 -1.402 20 0 CAADMP COC[C@@H]1C[NH2+]CCN1S(=O)(=O)C[C@@H]1C[NH2+]CCO1 ZINC000903597867 656186223 /nfs/dbraw/zinc/18/62/23/656186223.db2.gz FUCZAFYERHHQGR-QWRGUYRKSA-N 2 1 293.389 -1.775 20 0 CAADMP COC[C@H]1C[NH2+]CCN1S(=O)(=O)[C@@H]1CCC[NH2+]C1 ZINC000903598033 656186352 /nfs/dbraw/zinc/18/63/52/656186352.db2.gz HICUPIJLOXLCFM-GHMZBOCLSA-N 2 1 277.390 -1.012 20 0 CAADMP COC[C@@H]1C[NH2+]CCN1S(=O)(=O)[C@@H]1CCC[NH2+]C1 ZINC000903598036 656186465 /nfs/dbraw/zinc/18/64/65/656186465.db2.gz HICUPIJLOXLCFM-WDEREUQCSA-N 2 1 277.390 -1.012 20 0 CAADMP COC[C@@H]1C[NH2+]CCN1S(=O)(=O)[C@H]1CCC[NH2+]C1 ZINC000903598035 656186577 /nfs/dbraw/zinc/18/65/77/656186577.db2.gz HICUPIJLOXLCFM-QWRGUYRKSA-N 2 1 277.390 -1.012 20 0 CAADMP C[NH2+]C[C@@](C)(O)C[N@H+]1C[C@@H](C)[C@H](CS(N)(=O)=O)C1 ZINC000903826293 656187053 /nfs/dbraw/zinc/18/70/53/656187053.db2.gz HLSYVQAUFBZYDZ-OUAUKWLOSA-N 2 1 279.406 -1.187 20 0 CAADMP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](CC(=O)N1CCNC(=O)C1)C2 ZINC000903846306 656187150 /nfs/dbraw/zinc/18/71/50/656187150.db2.gz CYQLWGBARQYYCU-DCAQKATOSA-N 2 1 266.345 -1.244 20 0 CAADMP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](CC(=O)N1CCNC(=O)C1)C2 ZINC000903846306 656187155 /nfs/dbraw/zinc/18/71/55/656187155.db2.gz CYQLWGBARQYYCU-DCAQKATOSA-N 2 1 266.345 -1.244 20 0 CAADMP O=C(CC[N@H+]1CCOC[C@@H]1CCO)N1CC[NH2+]CC1 ZINC000903830272 656187261 /nfs/dbraw/zinc/18/72/61/656187261.db2.gz XTYASYJSPBTSHJ-LBPRGKRZSA-N 2 1 271.361 -1.109 20 0 CAADMP O=C(CC[N@@H+]1CCOC[C@@H]1CCO)N1CC[NH2+]CC1 ZINC000903830272 656187265 /nfs/dbraw/zinc/18/72/65/656187265.db2.gz XTYASYJSPBTSHJ-LBPRGKRZSA-N 2 1 271.361 -1.109 20 0 CAADMP COCC[N@@H+](C)C[C@@H](O)CN1CC[NH2+]C[C@H]1COC ZINC000903881442 656187592 /nfs/dbraw/zinc/18/75/92/656187592.db2.gz DSOBAOXAZVGWIU-QWHCGFSZSA-N 2 1 275.393 -1.154 20 0 CAADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCN3C(=O)C(=O)NC[C@H]3C2)C1 ZINC000904328396 656187673 /nfs/dbraw/zinc/18/76/73/656187673.db2.gz OIFGPIBYFINEKZ-AEJSXWLSSA-N 2 1 252.318 -1.634 20 0 CAADMP COCC[N@@H+](C)C[C@@H](O)CN1CC[NH2+]C[C@@H]1COC ZINC000903881440 656188033 /nfs/dbraw/zinc/18/80/33/656188033.db2.gz DSOBAOXAZVGWIU-CHWSQXEVSA-N 2 1 275.393 -1.154 20 0 CAADMP C[N@H+]1C[C@@H]2CN(C(=O)C(=O)N3CC[C@H]([NH3+])C3)C[C@]2(C)C1 ZINC000904958006 656188234 /nfs/dbraw/zinc/18/82/34/656188234.db2.gz CRPDDPWLOQKDID-SUNKGSAMSA-N 2 1 280.372 -1.044 20 0 CAADMP CN(CC[NH3+])C(=O)C(=O)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC000904991951 656189184 /nfs/dbraw/zinc/18/91/84/656189184.db2.gz ZOZYSESCRNNGDJ-RYUDHWBXSA-N 2 1 298.387 -1.539 20 0 CAADMP CN(CC[NH3+])C(=O)C(=O)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC000904991950 656189511 /nfs/dbraw/zinc/18/95/11/656189511.db2.gz ZOZYSESCRNNGDJ-NWDGAFQWSA-N 2 1 298.387 -1.539 20 0 CAADMP O=S(=O)(CC1CC[NH2+]CC1)NC[C@@H]1COCC[NH2+]1 ZINC000905360396 656190859 /nfs/dbraw/zinc/19/08/59/656190859.db2.gz BHPCDMZKIYWIHA-LLVKDONJSA-N 2 1 277.390 -1.106 20 0 CAADMP CC[N@@H+](CCO)CCNC(=O)[C@]1(C)C[C@H](O)C[NH+]1C ZINC000907440574 656198094 /nfs/dbraw/zinc/19/80/94/656198094.db2.gz MGQBNXWDXGCHHI-AAEUAGOBSA-N 2 1 273.377 -1.128 20 0 CAADMP CC[NH+](CCO)CCNC(=O)[C@]1(C)C[C@H](O)C[N@@H+]1C ZINC000907440574 656198095 /nfs/dbraw/zinc/19/80/95/656198095.db2.gz MGQBNXWDXGCHHI-AAEUAGOBSA-N 2 1 273.377 -1.128 20 0 CAADMP CC[NH+](CCO)CCNC(=O)[C@]1(C)C[C@H](O)C[N@H+]1C ZINC000907440574 656198096 /nfs/dbraw/zinc/19/80/96/656198096.db2.gz MGQBNXWDXGCHHI-AAEUAGOBSA-N 2 1 273.377 -1.128 20 0 CAADMP C[NH+]1C[C@H](O)C[C@]1(C)C(=O)NC[C@@]1(O)CC[N@@H+](C)C1 ZINC000907386972 656198150 /nfs/dbraw/zinc/19/81/50/656198150.db2.gz HDRWFCFIHSUHDV-RTXFEEFZSA-N 2 1 271.361 -1.376 20 0 CAADMP C[NH+]1C[C@H](O)C[C@]1(C)C(=O)NC[C@@]1(O)CC[N@H+](C)C1 ZINC000907386972 656198152 /nfs/dbraw/zinc/19/81/52/656198152.db2.gz HDRWFCFIHSUHDV-RTXFEEFZSA-N 2 1 271.361 -1.376 20 0 CAADMP C[NH+]1CC[C@](O)(CNC(=O)[C@@]2(C)C[C@@H](O)C[N@@H+]2C)C1 ZINC000907386972 656198154 /nfs/dbraw/zinc/19/81/54/656198154.db2.gz HDRWFCFIHSUHDV-RTXFEEFZSA-N 2 1 271.361 -1.376 20 0 CAADMP C[NH+]1CC[C@](O)(CNC(=O)[C@@]2(C)C[C@@H](O)C[N@H+]2C)C1 ZINC000907386972 656198155 /nfs/dbraw/zinc/19/81/55/656198155.db2.gz HDRWFCFIHSUHDV-RTXFEEFZSA-N 2 1 271.361 -1.376 20 0 CAADMP C[NH+](C)C[C@H](CO)NC(=O)C[C@@]1(O)CCC[N@@H+](C)C1 ZINC000908201076 656210668 /nfs/dbraw/zinc/21/06/68/656210668.db2.gz NTZFMKVFXKKFIA-YPMHNXCESA-N 2 1 273.377 -1.128 20 0 CAADMP C[NH+](C)C[C@@H](CO)NC(=O)C[C@]1(O)CCC[N@@H+](C)C1 ZINC000908201075 656210851 /nfs/dbraw/zinc/21/08/51/656210851.db2.gz NTZFMKVFXKKFIA-WCQYABFASA-N 2 1 273.377 -1.128 20 0 CAADMP C[N@@H+](CCNC(=O)C(=O)NCC1([NH3+])CC1)C1CC1 ZINC000911052100 656232682 /nfs/dbraw/zinc/23/26/82/656232682.db2.gz BBNMYGIUUTVQTL-UHFFFAOYSA-N 2 1 254.334 -1.196 20 0 CAADMP C[N@@H+](CCNC(=O)C(=O)N1CCC[C@]([NH3+])(CO)C1)C1CC1 ZINC000911054344 656232910 /nfs/dbraw/zinc/23/29/10/656232910.db2.gz VMIPJPQZRNLNCN-CQSZACIVSA-N 2 1 298.387 -1.491 20 0 CAADMP COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCC[N@@H+](C)C1CC1 ZINC000911060332 656233476 /nfs/dbraw/zinc/23/34/76/656233476.db2.gz LANCQFLVJMEZIX-LBPRGKRZSA-N 2 1 298.387 -1.356 20 0 CAADMP [NH3+]C1(CNC(=O)C(=O)N[C@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000911073177 656233526 /nfs/dbraw/zinc/23/35/26/656233526.db2.gz QQWMZPGLTMDMRV-VIFPVBQESA-N 2 1 266.345 -1.053 20 0 CAADMP [NH3+]C1(CNC(=O)C(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000911147836 656234745 /nfs/dbraw/zinc/23/47/45/656234745.db2.gz KKGMMMGMXZCPCE-MNOVXSKESA-N 2 1 296.371 -1.427 20 0 CAADMP C[C@H](CNC(=O)C(=O)NCC1([NH3+])CC1)C[NH+]1CCOCC1 ZINC000911137983 656234831 /nfs/dbraw/zinc/23/48/31/656234831.db2.gz JXWOHZONGSWNLK-LLVKDONJSA-N 2 1 298.387 -1.322 20 0 CAADMP [NH3+]C1(CNC(=O)C(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000911147835 656235044 /nfs/dbraw/zinc/23/50/44/656235044.db2.gz KKGMMMGMXZCPCE-GHMZBOCLSA-N 2 1 296.371 -1.427 20 0 CAADMP C[C@H](NC(=O)C(=O)N1C[C@@H](C)[C@H]([NH3+])C1)[C@H]1C[N@H+](C)CCO1 ZINC000911161652 656235868 /nfs/dbraw/zinc/23/58/68/656235868.db2.gz KHNWBNABJXNWRC-WRWGMCAJSA-N 2 1 298.387 -1.373 20 0 CAADMP C[C@H](NC(=O)C(=O)N1C[C@@H](C)[C@H]([NH3+])C1)[C@H]1C[N@@H+](C)CCO1 ZINC000911161652 656235872 /nfs/dbraw/zinc/23/58/72/656235872.db2.gz KHNWBNABJXNWRC-WRWGMCAJSA-N 2 1 298.387 -1.373 20 0 CAADMP C[C@H](NC(=O)C(=O)N[C@@H]1C[NH2+]C[C@H]1C)[C@H]1C[N@H+](C)CCO1 ZINC000911163265 656235924 /nfs/dbraw/zinc/23/59/24/656235924.db2.gz UKGSNDFNRUBRRQ-WRWGMCAJSA-N 2 1 298.387 -1.454 20 0 CAADMP C[C@H](NC(=O)C(=O)N[C@@H]1C[NH2+]C[C@H]1C)[C@H]1C[N@@H+](C)CCO1 ZINC000911163265 656235928 /nfs/dbraw/zinc/23/59/28/656235928.db2.gz UKGSNDFNRUBRRQ-WRWGMCAJSA-N 2 1 298.387 -1.454 20 0 CAADMP COCC[N@@H+](C)CCNC(=O)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000911155348 656235939 /nfs/dbraw/zinc/23/59/39/656235939.db2.gz JEQSEQFFQLLFLD-NSHDSACASA-N 2 1 286.376 -1.370 20 0 CAADMP COCC[N@H+]1CCC[C@H]1CNC(=O)C(=O)NCC1([NH3+])CC1 ZINC000911194207 656236636 /nfs/dbraw/zinc/23/66/36/656236636.db2.gz NDMRBOOBNFPDQM-NSHDSACASA-N 2 1 298.387 -1.179 20 0 CAADMP COCC[N@H+]1CC[C@H](NC(=O)C(=O)N[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000911236444 656237754 /nfs/dbraw/zinc/23/77/54/656237754.db2.gz QYRYSJZRFAKMES-GRYCIOLGSA-N 2 1 298.387 -1.453 20 0 CAADMP COCC[N@H+]1CC[C@H](NC(=O)C(=O)NCC2([NH3+])CC2)C1 ZINC000911239073 656238133 /nfs/dbraw/zinc/23/81/33/656238133.db2.gz ADUUXYMHPNGSNZ-JTQLQIEISA-N 2 1 284.360 -1.569 20 0 CAADMP [NH3+][C@H]1CCCN(C(=O)C(=O)NCCC[NH+]2CCOCC2)C1 ZINC000911248234 656238553 /nfs/dbraw/zinc/23/85/53/656238553.db2.gz VEIHRRURXCLAAE-LBPRGKRZSA-N 2 1 298.387 -1.225 20 0 CAADMP [NH3+]CCNC(=O)C(=O)N[C@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000911270260 656239212 /nfs/dbraw/zinc/23/92/12/656239212.db2.gz UNLFYWMLUVFSEN-VHSXEESVSA-N 2 1 286.401 -1.243 20 0 CAADMP [NH3+]CCNC(=O)C(=O)N[C@H]1CCC[N@H+]2CCSC[C@H]12 ZINC000911270260 656239214 /nfs/dbraw/zinc/23/92/14/656239214.db2.gz UNLFYWMLUVFSEN-VHSXEESVSA-N 2 1 286.401 -1.243 20 0 CAADMP [NH3+]CCNC(=O)C(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000911270258 656239232 /nfs/dbraw/zinc/23/92/32/656239232.db2.gz UNLFYWMLUVFSEN-NXEZZACHSA-N 2 1 286.401 -1.243 20 0 CAADMP [NH3+]CCNC(=O)C(=O)N[C@@H]1CCC[N@H+]2CCSC[C@H]12 ZINC000911270258 656239235 /nfs/dbraw/zinc/23/92/35/656239235.db2.gz UNLFYWMLUVFSEN-NXEZZACHSA-N 2 1 286.401 -1.243 20 0 CAADMP C[N@H+]1C[C@@H]2CN(C(=O)C(=O)NCCC[NH3+])C[C@]2(C)C1 ZINC000911266824 656240208 /nfs/dbraw/zinc/24/02/08/656240208.db2.gz LPQQNDCUIUKJEB-MFKMUULPSA-N 2 1 268.361 -1.139 20 0 CAADMP C[C@@H](C[NH3+])NC(=O)C(=O)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC000911299042 656240279 /nfs/dbraw/zinc/24/02/79/656240279.db2.gz YZHQAGKMWNSFQB-SDDRHHMPSA-N 2 1 298.387 -1.493 20 0 CAADMP C[NH2+]CCNC(=O)C(=O)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC000911281746 656241039 /nfs/dbraw/zinc/24/10/39/656241039.db2.gz IIJZOTJRWDDESN-NWDGAFQWSA-N 2 1 298.387 -1.620 20 0 CAADMP C[NH2+]CCNC(=O)C(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC000911281698 656241119 /nfs/dbraw/zinc/24/11/19/656241119.db2.gz IIJZOTJRWDDESN-NEPJUHHUSA-N 2 1 298.387 -1.620 20 0 CAADMP O=C(NC1C[NH2+]C1)C(=O)N[C@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000911286898 656241745 /nfs/dbraw/zinc/24/17/45/656241745.db2.gz AHEYHARAQVCCAS-WDEREUQCSA-N 2 1 298.412 -1.230 20 0 CAADMP O=C(NC1C[NH2+]C1)C(=O)N[C@H]1CCC[N@H+]2CCSC[C@H]12 ZINC000911286898 656241749 /nfs/dbraw/zinc/24/17/49/656241749.db2.gz AHEYHARAQVCCAS-WDEREUQCSA-N 2 1 298.412 -1.230 20 0 CAADMP [NH3+]C1(CNC(=O)C(=O)NCC[NH+]2CCSCC2)CC1 ZINC000911504648 656248901 /nfs/dbraw/zinc/24/89/01/656248901.db2.gz MGBOUQZBHOGLQM-UHFFFAOYSA-N 2 1 286.401 -1.241 20 0 CAADMP CN(CC[N@@H+](C)CCO)C(=O)[C@@]1(C)C[C@@H](O)C[NH+]1C ZINC000912601006 656262009 /nfs/dbraw/zinc/26/20/09/656262009.db2.gz SJLXFTFQMOUDIP-DGCLKSJQSA-N 2 1 273.377 -1.176 20 0 CAADMP CN(CC[NH+](C)CCO)C(=O)[C@@]1(C)C[C@@H](O)C[N@@H+]1C ZINC000912601006 656262016 /nfs/dbraw/zinc/26/20/16/656262016.db2.gz SJLXFTFQMOUDIP-DGCLKSJQSA-N 2 1 273.377 -1.176 20 0 CAADMP CN(CC[NH+](C)CCO)C(=O)[C@@]1(C)C[C@@H](O)C[N@H+]1C ZINC000912601006 656262019 /nfs/dbraw/zinc/26/20/19/656262019.db2.gz SJLXFTFQMOUDIP-DGCLKSJQSA-N 2 1 273.377 -1.176 20 0 CAADMP CN(CC[N@@H+](C)CCO)C(=O)C1CN(C)CC[NH+](C)C1 ZINC000912611478 656263493 /nfs/dbraw/zinc/26/34/93/656263493.db2.gz BRXQYEDJGPCUDS-UHFFFAOYSA-N 2 1 286.420 -1.138 20 0 CAADMP CN(CC[NH+](C)CCO)C(=O)C1CN(C)CC[N@H+](C)C1 ZINC000912611478 656263498 /nfs/dbraw/zinc/26/34/98/656263498.db2.gz BRXQYEDJGPCUDS-UHFFFAOYSA-N 2 1 286.420 -1.138 20 0 CAADMP CN(CC[NH+](C)CCO)C(=O)C1CN(C)CC[N@@H+](C)C1 ZINC000912611478 656263501 /nfs/dbraw/zinc/26/35/01/656263501.db2.gz BRXQYEDJGPCUDS-UHFFFAOYSA-N 2 1 286.420 -1.138 20 0 CAADMP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@]1(CO)COCC[NH2+]1 ZINC000913178278 656272719 /nfs/dbraw/zinc/27/27/19/656272719.db2.gz DVAGVTASXYQOTE-PWSUYJOCSA-N 2 1 257.334 -1.452 20 0 CAADMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@]1(CO)COCC[NH2+]1 ZINC000913178278 656272720 /nfs/dbraw/zinc/27/27/20/656272720.db2.gz DVAGVTASXYQOTE-PWSUYJOCSA-N 2 1 257.334 -1.452 20 0 CAADMP C[NH+](C)CC1(C(=O)NC[C@@]2(CO)COCC[NH2+]2)CC1 ZINC000913180399 656273697 /nfs/dbraw/zinc/27/36/97/656273697.db2.gz YPIUHEBHGAYXBH-CYBMUJFWSA-N 2 1 271.361 -1.205 20 0 CAADMP O=C(NC[C@]1(CO)COCC[NH2+]1)C12CC[NH+](CC1)C2 ZINC000913180498 656273743 /nfs/dbraw/zinc/27/37/43/656273743.db2.gz ZSFQXXNQYIRJHU-ZDUSSCGKSA-N 2 1 269.345 -1.451 20 0 CAADMP O=C(C[NH+]1CCCC1)NC[C@]1(CO)COCC[NH2+]1 ZINC000913182061 656274365 /nfs/dbraw/zinc/27/43/65/656274365.db2.gz CQHFGBLQWCQTLC-LBPRGKRZSA-N 2 1 257.334 -1.451 20 0 CAADMP CC[N@H+](CC(=O)NC[C@]1(CO)COCC[NH2+]1)C1CC1 ZINC000913184185 656275681 /nfs/dbraw/zinc/27/56/81/656275681.db2.gz ZEXXGFSGAIRKQE-ZDUSSCGKSA-N 2 1 271.361 -1.062 20 0 CAADMP CC[N@@H+](CC(=O)NC[C@]1(CO)COCC[NH2+]1)C1CC1 ZINC000913184185 656275683 /nfs/dbraw/zinc/27/56/83/656275683.db2.gz ZEXXGFSGAIRKQE-ZDUSSCGKSA-N 2 1 271.361 -1.062 20 0 CAADMP C[NH+]1CCC(C(=O)NC[C@]2(CO)COCC[NH2+]2)CC1 ZINC000913189491 656277116 /nfs/dbraw/zinc/27/71/16/656277116.db2.gz XVCZPKMENIUBEQ-ZDUSSCGKSA-N 2 1 271.361 -1.205 20 0 CAADMP CC[C@@H](C(=O)NC[C@@]1(CO)COCC[NH2+]1)[NH+](C)C ZINC000913187480 656277454 /nfs/dbraw/zinc/27/74/54/656277454.db2.gz ZNAWMBYJTCZASA-CMPLNLGQSA-N 2 1 259.350 -1.206 20 0 CAADMP C[NH+]1CCC(C(=O)NC[C@@]2(CO)COCC[NH2+]2)CC1 ZINC000913189490 656278008 /nfs/dbraw/zinc/27/80/08/656278008.db2.gz XVCZPKMENIUBEQ-CYBMUJFWSA-N 2 1 271.361 -1.205 20 0 CAADMP CO[C@@H](C[NH3+])C(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000227389684 656309985 /nfs/dbraw/zinc/30/99/85/656309985.db2.gz LBURPIIUMLWYOC-VWYCJHECSA-N 2 1 257.334 -1.061 20 0 CAADMP C[C@H](O)C[NH+]1CC(CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001031597397 656377670 /nfs/dbraw/zinc/37/76/70/656377670.db2.gz ZNQSGOXPARJTRQ-JQWIXIFHSA-N 2 1 271.361 -1.254 20 0 CAADMP C[C@H](O)C[NH+]1CC(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001031597397 656377672 /nfs/dbraw/zinc/37/76/72/656377672.db2.gz ZNQSGOXPARJTRQ-JQWIXIFHSA-N 2 1 271.361 -1.254 20 0 CAADMP O=C(C[NH+]1CCCC1)N1CCN(C2C[NH+](CCO)C2)CC1 ZINC000941669373 656444384 /nfs/dbraw/zinc/44/43/84/656444384.db2.gz YRVWVFYXNSWLLL-UHFFFAOYSA-N 2 1 296.415 -1.097 20 0 CAADMP CC[N@@H+]1CCO[C@@H](C(=O)NCC2C[NH+](CCO)C2)C1 ZINC001032196732 656469888 /nfs/dbraw/zinc/46/98/88/656469888.db2.gz AWEXRLKVEQPNIM-GFCCVEGCSA-N 2 1 271.361 -1.253 20 0 CAADMP CC[N@H+]1CCO[C@@H](C(=O)NCC2C[NH+](CCO)C2)C1 ZINC001032196732 656469893 /nfs/dbraw/zinc/46/98/93/656469893.db2.gz AWEXRLKVEQPNIM-GFCCVEGCSA-N 2 1 271.361 -1.253 20 0 CAADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)C2CC([NH2+]CC(N)=O)C2)O1 ZINC000998983630 656565101 /nfs/dbraw/zinc/56/51/01/656565101.db2.gz OMPHRHIFYJLUHL-HBIQZDMRSA-N 2 1 298.387 -1.230 20 0 CAADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)C2CC([NH2+]CC(N)=O)C2)O1 ZINC000998983630 656565109 /nfs/dbraw/zinc/56/51/09/656565109.db2.gz OMPHRHIFYJLUHL-HBIQZDMRSA-N 2 1 298.387 -1.230 20 0 CAADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC[C@@H]([NH2+]CC(N)=O)C2)O1 ZINC000999492328 656577611 /nfs/dbraw/zinc/57/76/11/656577611.db2.gz AEHLSNWLTOEVSR-IJLUTSLNSA-N 2 1 298.387 -1.229 20 0 CAADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC[C@@H]([NH2+]CC(N)=O)C2)O1 ZINC000999492328 656577625 /nfs/dbraw/zinc/57/76/25/656577625.db2.gz AEHLSNWLTOEVSR-IJLUTSLNSA-N 2 1 298.387 -1.229 20 0 CAADMP NC(=O)C[NH2+][C@H]1CCCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001000463787 656607463 /nfs/dbraw/zinc/60/74/63/656607463.db2.gz XKBVAOBFDSTUCS-LBPRGKRZSA-N 2 1 298.387 -1.225 20 0 CAADMP CC[N@@H+]1CCO[C@H](C(=O)N2CCC[C@H]([NH2+]CC(N)=O)C2)C1 ZINC001000973844 656615382 /nfs/dbraw/zinc/61/53/82/656615382.db2.gz XDJFYLFBRTYWAQ-RYUDHWBXSA-N 2 1 298.387 -1.227 20 0 CAADMP CC[N@H+]1CCO[C@H](C(=O)N2CCC[C@H]([NH2+]CC(N)=O)C2)C1 ZINC001000973844 656615389 /nfs/dbraw/zinc/61/53/89/656615389.db2.gz XDJFYLFBRTYWAQ-RYUDHWBXSA-N 2 1 298.387 -1.227 20 0 CAADMP C[C@H](C(=O)NCC[N@@H+](C)CCOCCO)[NH+](C)C ZINC000922108482 656639324 /nfs/dbraw/zinc/63/93/24/656639324.db2.gz IUAXHHHQBHDWGY-LLVKDONJSA-N 2 1 261.366 -1.007 20 0 CAADMP C[N@H+](CCNC(=O)[C@@H]1C[NH+](C)CCO1)CCOCCO ZINC000922119866 656641829 /nfs/dbraw/zinc/64/18/29/656641829.db2.gz YOBJSMGGADOKIW-LBPRGKRZSA-N 2 1 289.376 -1.626 20 0 CAADMP C[N@@H+](CCNC(=O)[C@@H]1C[NH+](C)CCO1)CCOCCO ZINC000922119866 656641835 /nfs/dbraw/zinc/64/18/35/656641835.db2.gz YOBJSMGGADOKIW-LBPRGKRZSA-N 2 1 289.376 -1.626 20 0 CAADMP C[NH+](CCNC(=O)[C@@H]1C[N@H+](C)CCO1)CCOCCO ZINC000922119866 656641840 /nfs/dbraw/zinc/64/18/40/656641840.db2.gz YOBJSMGGADOKIW-LBPRGKRZSA-N 2 1 289.376 -1.626 20 0 CAADMP C[NH+](CCNC(=O)[C@@H]1C[N@@H+](C)CCO1)CCOCCO ZINC000922119866 656641846 /nfs/dbraw/zinc/64/18/46/656641846.db2.gz YOBJSMGGADOKIW-LBPRGKRZSA-N 2 1 289.376 -1.626 20 0 CAADMP CN(C(=O)[C@@H]1CN(C)CCO1)[C@H]1CC[N@@H+](CCO)C1 ZINC001032981367 656671482 /nfs/dbraw/zinc/67/14/82/656671482.db2.gz RKPLCSTWNDSMFJ-RYUDHWBXSA-N 2 1 271.361 -1.158 20 0 CAADMP C[NH+](C)C[C@H](N)C(=O)NC[C@H]1C[N@H+]2CCN1CCC2 ZINC000702390369 656736496 /nfs/dbraw/zinc/73/64/96/656736496.db2.gz HPBRVCGGKZKWLM-RYUDHWBXSA-N 2 1 269.393 -1.619 20 0 CAADMP C[NH+](C)C[C@H](N)C(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000702385143 656738494 /nfs/dbraw/zinc/73/84/94/656738494.db2.gz CECSQARRQVYVHD-WOPDTQHZSA-N 2 1 270.377 -1.145 20 0 CAADMP C[N@@H+]1CCO[C@H](C(=O)N[C@H]2CC[C@H]([NH2+]CC(N)=O)CC2)C1 ZINC001034617169 656745681 /nfs/dbraw/zinc/74/56/81/656745681.db2.gz JKXFJSOJZNXTHG-SRVKXCTJSA-N 2 1 298.387 -1.181 20 0 CAADMP C[N@H+]1CCO[C@H](C(=O)N[C@H]2CC[C@H]([NH2+]CC(N)=O)CC2)C1 ZINC001034617169 656745690 /nfs/dbraw/zinc/74/56/90/656745690.db2.gz JKXFJSOJZNXTHG-SRVKXCTJSA-N 2 1 298.387 -1.181 20 0 CAADMP C[N@@H+]1CCO[C@@H](C(=O)N[C@H]2CC[C@H]([NH2+]CC(N)=O)CC2)C1 ZINC001034617168 656746224 /nfs/dbraw/zinc/74/62/24/656746224.db2.gz JKXFJSOJZNXTHG-IJLUTSLNSA-N 2 1 298.387 -1.181 20 0 CAADMP C[N@H+]1CCO[C@@H](C(=O)N[C@H]2CC[C@H]([NH2+]CC(N)=O)CC2)C1 ZINC001034617168 656746228 /nfs/dbraw/zinc/74/62/28/656746228.db2.gz JKXFJSOJZNXTHG-IJLUTSLNSA-N 2 1 298.387 -1.181 20 0 CAADMP COCC[N@@H+](C)C[C@H](O)CN1CCC[C@@H]([NH2+]CCO)C1 ZINC000708545621 656792319 /nfs/dbraw/zinc/79/23/19/656792319.db2.gz PWQBKECAFIUFLN-KGLIPLIRSA-N 2 1 289.420 -1.028 20 0 CAADMP COCC[N@@H+](C)C[C@@H](O)CN1CCC[C@H]([NH2+]CCO)C1 ZINC000708545623 656792603 /nfs/dbraw/zinc/79/26/03/656792603.db2.gz PWQBKECAFIUFLN-UONOGXRCSA-N 2 1 289.420 -1.028 20 0 CAADMP COCC[N@@H+](C)CCNC(=O)[C@]1(COC)C[NH2+]CCO1 ZINC000710705201 656793634 /nfs/dbraw/zinc/79/36/34/656793634.db2.gz YSMRACZFWGTPEE-CYBMUJFWSA-N 2 1 289.376 -1.314 20 0 CAADMP COCC[N@@H+](C)CCNC(=O)[C@@]1(COC)C[NH2+]CCO1 ZINC000710705203 656794537 /nfs/dbraw/zinc/79/45/37/656794537.db2.gz YSMRACZFWGTPEE-ZDUSSCGKSA-N 2 1 289.376 -1.314 20 0 CAADMP C[C@@H](C(=O)NC(N)=O)[NH+]1CCC(O)(C[NH+](C)C)CC1 ZINC000710666272 656798673 /nfs/dbraw/zinc/79/86/73/656798673.db2.gz XQFPRDIVBOHJQM-VIFPVBQESA-N 2 1 272.349 -1.042 20 0 CAADMP O=S1(=O)NC[C@H]2C[N@@H+](CC3CC[NH2+]CC3)CCN21 ZINC000923270639 656802773 /nfs/dbraw/zinc/80/27/73/656802773.db2.gz DRGCKPQKZCGILX-NSHDSACASA-N 2 1 274.390 -1.180 20 0 CAADMP CS(=O)(=O)N[C@@H]1CC[N@@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923317097 656802836 /nfs/dbraw/zinc/80/28/36/656802836.db2.gz SZQOBQLYOQELBC-MNOVXSKESA-N 2 1 289.401 -1.012 20 0 CAADMP CNS(=O)(=O)C[C@H]1CCC[N@@H+]1[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923315401 656802897 /nfs/dbraw/zinc/80/28/97/656802897.db2.gz VIRPEYAINOKKIZ-VLEAKVRGSA-N 2 1 277.390 -1.149 20 0 CAADMP CNS(=O)(=O)C[C@H]1CCC[N@H+]1[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923315401 656802900 /nfs/dbraw/zinc/80/29/00/656802900.db2.gz VIRPEYAINOKKIZ-VLEAKVRGSA-N 2 1 277.390 -1.149 20 0 CAADMP O=S1(=O)NC[C@@H]2C[N@@H+](CC3CC[NH2+]CC3)CCN21 ZINC000923270636 656802956 /nfs/dbraw/zinc/80/29/56/656802956.db2.gz DRGCKPQKZCGILX-LLVKDONJSA-N 2 1 274.390 -1.180 20 0 CAADMP CS(=O)(=O)N[C@H]1CC[N@@H+](C[C@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923317101 656803048 /nfs/dbraw/zinc/80/30/48/656803048.db2.gz SZQOBQLYOQELBC-WDEREUQCSA-N 2 1 289.401 -1.012 20 0 CAADMP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@H+]2CCC[C@@H](N3CCNCC3=O)C2)C1 ZINC000923334348 656803271 /nfs/dbraw/zinc/80/32/71/656803271.db2.gz WNDNODNBLSXNKI-RNJOBUHISA-N 2 1 282.388 -1.267 20 0 CAADMP O=C1NC[C@H]2C[N@H+](C[C@H]3CC4(C[NH2+]C4)CO3)CCN2C1=O ZINC000923373076 656803632 /nfs/dbraw/zinc/80/36/32/656803632.db2.gz LPAKHLAILXGHGX-WDEREUQCSA-N 2 1 294.355 -1.993 20 0 CAADMP O=C1NC[C@H]2C[N@@H+](C[C@H]3CC4(C[NH2+]C4)CO3)CCN2C1=O ZINC000923373076 656803634 /nfs/dbraw/zinc/80/36/34/656803634.db2.gz LPAKHLAILXGHGX-WDEREUQCSA-N 2 1 294.355 -1.993 20 0 CAADMP O=C1NC[C@@H]2C[N@H+](C[C@H]3CC4(C[NH2+]C4)CO3)CCN2C1=O ZINC000923373023 656803785 /nfs/dbraw/zinc/80/37/85/656803785.db2.gz LPAKHLAILXGHGX-GHMZBOCLSA-N 2 1 294.355 -1.993 20 0 CAADMP O=C1NC[C@@H]2C[N@@H+](C[C@H]3CC4(C[NH2+]C4)CO3)CCN2C1=O ZINC000923373023 656803789 /nfs/dbraw/zinc/80/37/89/656803789.db2.gz LPAKHLAILXGHGX-GHMZBOCLSA-N 2 1 294.355 -1.993 20 0 CAADMP CO[C@@H]1CS(=O)(=O)[C@H]2C[N@@H+]([C@H]3C[C@H]([NH3+])C[C@@H]3O)C[C@H]21 ZINC000923388827 656804174 /nfs/dbraw/zinc/80/41/74/656804174.db2.gz JTUHFSVSCLWUTM-KUYXLPFXSA-N 2 1 290.385 -1.419 20 0 CAADMP CO[C@@H]1CS(=O)(=O)[C@H]2C[N@H+]([C@H]3C[C@H]([NH3+])C[C@@H]3O)C[C@H]21 ZINC000923388827 656804179 /nfs/dbraw/zinc/80/41/79/656804179.db2.gz JTUHFSVSCLWUTM-KUYXLPFXSA-N 2 1 290.385 -1.419 20 0 CAADMP COC[C@@H](C(N)=O)[N@H+](C)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923421791 656804192 /nfs/dbraw/zinc/80/41/92/656804192.db2.gz DZLRRMSLMGJQOM-UWVGGRQHSA-N 2 1 257.334 -1.203 20 0 CAADMP COC[C@@H](C(N)=O)[N@@H+](C)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923421791 656804195 /nfs/dbraw/zinc/80/41/95/656804195.db2.gz DZLRRMSLMGJQOM-UWVGGRQHSA-N 2 1 257.334 -1.203 20 0 CAADMP C[C@@H]1C[N@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)C[C@H](C(N)=O)O1 ZINC000923398474 656804229 /nfs/dbraw/zinc/80/42/29/656804229.db2.gz KFWMOHVGUIFLLU-OUAUKWLOSA-N 2 1 269.345 -1.061 20 0 CAADMP C[C@@H]1C[N@@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)C[C@H](C(N)=O)O1 ZINC000923398474 656804236 /nfs/dbraw/zinc/80/42/36/656804236.db2.gz KFWMOHVGUIFLLU-OUAUKWLOSA-N 2 1 269.345 -1.061 20 0 CAADMP CCNC(=O)NC(=O)[C@H](C)N1CC[NH2+]CC[NH2+]CC1 ZINC000923465621 656804731 /nfs/dbraw/zinc/80/47/31/656804731.db2.gz AXQQTUNGTRTQSN-JTQLQIEISA-N 2 1 271.365 -1.285 20 0 CAADMP CCCNC(=O)CN(C)C(=O)CN1CC[NH2+]CC[NH2+]CC1 ZINC000923465057 656804798 /nfs/dbraw/zinc/80/47/98/656804798.db2.gz WOPOFQFXYZMFGR-UHFFFAOYSA-N 2 1 299.419 -1.534 20 0 CAADMP CC(C)CNC(=O)NC(=O)CN1CC[NH2+]CC[NH2+]CC1 ZINC000923465894 656805277 /nfs/dbraw/zinc/80/52/77/656805277.db2.gz GCLXNLOQARHYAY-UHFFFAOYSA-N 2 1 285.392 -1.037 20 0 CAADMP O=S1(=O)NC[C@@H]2C[N@@H+](CC[C@H]3CC[NH2+]C3)CCN21 ZINC000923549094 656806096 /nfs/dbraw/zinc/80/60/96/656806096.db2.gz GHBRPDRTOUKBQU-GHMZBOCLSA-N 2 1 274.390 -1.180 20 0 CAADMP C[C@H]1C[N@@H+](CC(=O)N2CCNC(=O)C2)CC[C@@H]1C[NH3+] ZINC000923500119 656806108 /nfs/dbraw/zinc/80/61/08/656806108.db2.gz ODBSVEIBVAPENY-WDEREUQCSA-N 2 1 268.361 -1.139 20 0 CAADMP O=S(=O)(N(C1CC1)[C@@H]1CC[NH2+]C1)N1CC[NH2+]CC1 ZINC000923576656 656806802 /nfs/dbraw/zinc/80/68/02/656806802.db2.gz LMUTUHAIMWPURQ-LLVKDONJSA-N 2 1 274.390 -1.037 20 0 CAADMP O=S(=O)(N1CC[NH2+]CC1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923575400 656807012 /nfs/dbraw/zinc/80/70/12/656807012.db2.gz YHQZZWWCZLGNIQ-MNOVXSKESA-N 2 1 274.390 -1.037 20 0 CAADMP O=S(=O)(N(C1CC1)[C@H]1CC[NH2+]C1)N1CC[NH2+]CC1 ZINC000923576657 656807162 /nfs/dbraw/zinc/80/71/62/656807162.db2.gz LMUTUHAIMWPURQ-NSHDSACASA-N 2 1 274.390 -1.037 20 0 CAADMP COCC[N@H+]1CCC[C@H]1CNS(=O)(=O)C1C[NH2+]C1 ZINC000923606665 656809729 /nfs/dbraw/zinc/80/97/29/656809729.db2.gz ZRFCJOHLDYKLOK-JTQLQIEISA-N 2 1 277.390 -1.012 20 0 CAADMP O=S(=O)(N1CC[C@@]2(CC[NH2+]C2)C1)N1CC[NH2+]CC1 ZINC000923636327 656811335 /nfs/dbraw/zinc/81/13/35/656811335.db2.gz XKOZGJLOLPXTBI-LLVKDONJSA-N 2 1 274.390 -1.178 20 0 CAADMP O=S(=O)(N1CC[C@]2(CC[NH2+]C2)C1)N1CC[NH2+]CC1 ZINC000923636337 656811525 /nfs/dbraw/zinc/81/15/25/656811525.db2.gz XKOZGJLOLPXTBI-NSHDSACASA-N 2 1 274.390 -1.178 20 0 CAADMP O=S(=O)(N1CC[NH2+]CC1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000923635729 656811872 /nfs/dbraw/zinc/81/18/72/656811872.db2.gz PJXHCWCGDMMLEO-PHIMTYICSA-N 2 1 274.390 -1.037 20 0 CAADMP O=S(=O)(N1CC[NH2+]CC1)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000923641539 656811954 /nfs/dbraw/zinc/81/19/54/656811954.db2.gz NPRZYVKDJQSQBW-WDEREUQCSA-N 2 1 274.390 -1.180 20 0 CAADMP O=S(=O)(N1CC[NH2+]CC1)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000923644864 656812381 /nfs/dbraw/zinc/81/23/81/656812381.db2.gz MCKFQGIANKHSPG-GHMZBOCLSA-N 2 1 274.390 -1.180 20 0 CAADMP O=S(=O)(N1CC[NH2+]CC1)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000923644866 656812564 /nfs/dbraw/zinc/81/25/64/656812564.db2.gz MCKFQGIANKHSPG-MNOVXSKESA-N 2 1 274.390 -1.180 20 0 CAADMP O=S(=O)(N1CC[NH2+]CC1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923666199 656813031 /nfs/dbraw/zinc/81/30/31/656813031.db2.gz MEVZBLYRNAFJHK-AOOOYVTPSA-N 2 1 260.363 -1.427 20 0 CAADMP O=S(=O)(NCCCCC[NH+]1CCNCC1)C1C[NH2+]C1 ZINC000923680168 656814186 /nfs/dbraw/zinc/81/41/86/656814186.db2.gz SPQBTTAQPYKSKT-UHFFFAOYSA-N 2 1 290.433 -1.047 20 0 CAADMP O=S(=O)(N1CC[NH2+]CC1)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000923670639 656814297 /nfs/dbraw/zinc/81/42/97/656814297.db2.gz BBOMBOCJAJSDDH-MNOVXSKESA-N 2 1 274.390 -1.037 20 0 CAADMP O=S(=O)(N1C[C@@H]2CC[NH2+]C[C@@H]2C1)N1CC[NH2+]CC1 ZINC000923714667 656816175 /nfs/dbraw/zinc/81/61/75/656816175.db2.gz JHMGWGFVIRDJHI-WDEREUQCSA-N 2 1 274.390 -1.322 20 0 CAADMP CO[C@H]1C[C@@H](C(=O)NC[C@@H]2C[C@@H](O)C[NH+]2C)[N@H+](C)C1 ZINC000924982853 656817861 /nfs/dbraw/zinc/81/78/61/656817861.db2.gz YRXCCENYIKYENV-USZNOCQGSA-N 2 1 271.361 -1.113 20 0 CAADMP CO[C@H]1C[C@@H](C(=O)NC[C@@H]2C[C@@H](O)C[NH+]2C)[N@@H+](C)C1 ZINC000924982853 656817862 /nfs/dbraw/zinc/81/78/62/656817862.db2.gz YRXCCENYIKYENV-USZNOCQGSA-N 2 1 271.361 -1.113 20 0 CAADMP CO[C@H]1C[C@@H](C(=O)NC[C@@H]2C[C@@H](O)C[N@@H+]2C)[NH+](C)C1 ZINC000924982853 656817868 /nfs/dbraw/zinc/81/78/68/656817868.db2.gz YRXCCENYIKYENV-USZNOCQGSA-N 2 1 271.361 -1.113 20 0 CAADMP CO[C@H]1C[C@@H](C(=O)NC[C@@H]2C[C@@H](O)C[N@H+]2C)[NH+](C)C1 ZINC000924982853 656817869 /nfs/dbraw/zinc/81/78/69/656817869.db2.gz YRXCCENYIKYENV-USZNOCQGSA-N 2 1 271.361 -1.113 20 0 CAADMP O=C1NC(=O)[C@@H]2C[N@H+](C[C@H](O)C[NH+]3CCCC3)C[C@H]12 ZINC000930639110 656839647 /nfs/dbraw/zinc/83/96/47/656839647.db2.gz GJGJNLQKLDPCRL-MXWKQRLJSA-N 2 1 267.329 -1.353 20 0 CAADMP O=C1NC(=O)[C@@H]2C[N@@H+](C[C@H](O)C[NH+]3CCCC3)C[C@H]12 ZINC000930639110 656839650 /nfs/dbraw/zinc/83/96/50/656839650.db2.gz GJGJNLQKLDPCRL-MXWKQRLJSA-N 2 1 267.329 -1.353 20 0 CAADMP C[N@H+]1CC[C@@H]2CN(CC(=O)N3CCNC(=O)C3)C[C@@H]2C1 ZINC000931430994 656845510 /nfs/dbraw/zinc/84/55/10/656845510.db2.gz UQBWCIJGCUFRTN-NEPJUHHUSA-N 2 1 280.372 -1.172 20 0 CAADMP C[N@@H+]1CC[C@@H]2C[NH+](CC(=O)N3CCNC(=O)C3)C[C@@H]2C1 ZINC000931430994 656845512 /nfs/dbraw/zinc/84/55/12/656845512.db2.gz UQBWCIJGCUFRTN-NEPJUHHUSA-N 2 1 280.372 -1.172 20 0 CAADMP C[N@H+]1CC[C@@H]2C[NH+](CC(=O)N3CCNC(=O)C3)C[C@@H]2C1 ZINC000931430994 656845516 /nfs/dbraw/zinc/84/55/16/656845516.db2.gz UQBWCIJGCUFRTN-NEPJUHHUSA-N 2 1 280.372 -1.172 20 0 CAADMP C[NH+]1CC[C@@H]2C[N@H+](CC(=O)N3CCNC(=O)C3)C[C@@H]2C1 ZINC000931430994 656845521 /nfs/dbraw/zinc/84/55/21/656845521.db2.gz UQBWCIJGCUFRTN-NEPJUHHUSA-N 2 1 280.372 -1.172 20 0 CAADMP C[NH+]1CC[C@@H]2C[N@@H+](CC(=O)N3CCNC(=O)C3)C[C@@H]2C1 ZINC000931430994 656845528 /nfs/dbraw/zinc/84/55/28/656845528.db2.gz UQBWCIJGCUFRTN-NEPJUHHUSA-N 2 1 280.372 -1.172 20 0 CAADMP CN(CC[NH+](C)C)C(=O)C(=O)NC[C@H]1CC[N@H+]1C ZINC000931877390 656850520 /nfs/dbraw/zinc/85/05/20/656850520.db2.gz HVLBESAVLHZHMO-SNVBAGLBSA-N 2 1 256.350 -1.173 20 0 CAADMP C[NH+](C[C@H](O)CO)[C@H]1CC[C@H]([N@@H+](C)C[C@H](O)CO)CC1 ZINC000931738730 656848306 /nfs/dbraw/zinc/84/83/06/656848306.db2.gz XFJZFDGPUQIBGQ-XUXIUFHCSA-N 2 1 290.404 -1.132 20 0 CAADMP O=C(NC[C@H]1C[N@@H+](CCO)C[C@@H]1O)C12CC[NH+](CC1)C2 ZINC000958594542 656975610 /nfs/dbraw/zinc/97/56/10/656975610.db2.gz JOOFQWLNDAYBLT-RYUDHWBXSA-N 2 1 283.372 -1.517 20 0 CAADMP NC(=O)C[N@@H+]1C[C@H](O)[C@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC000958590991 656975749 /nfs/dbraw/zinc/97/57/49/656975749.db2.gz DVHLXYXIIYNZRR-MNOVXSKESA-N 2 1 296.371 -2.024 20 0 CAADMP NC(=O)C[N@H+]1C[C@H](O)[C@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC000958590991 656975756 /nfs/dbraw/zinc/97/57/56/656975756.db2.gz DVHLXYXIIYNZRR-MNOVXSKESA-N 2 1 296.371 -2.024 20 0 CAADMP O=C(NC[C@H]1C[N@@H+](CCO)C[C@H]1O)C12CC[NH+](CC1)C2 ZINC000958594541 656975905 /nfs/dbraw/zinc/97/59/05/656975905.db2.gz JOOFQWLNDAYBLT-NWDGAFQWSA-N 2 1 283.372 -1.517 20 0 CAADMP NC(=O)C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC000958590992 656976101 /nfs/dbraw/zinc/97/61/01/656976101.db2.gz DVHLXYXIIYNZRR-QWRGUYRKSA-N 2 1 296.371 -2.024 20 0 CAADMP NC(=O)C[N@H+]1C[C@H](O)[C@@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC000958590992 656976108 /nfs/dbraw/zinc/97/61/08/656976108.db2.gz DVHLXYXIIYNZRR-QWRGUYRKSA-N 2 1 296.371 -2.024 20 0 CAADMP O=C(NC[C@@H]1C[N@@H+](CCO)C[C@H]1O)C12CC[NH+](CC1)C2 ZINC000958594543 656976345 /nfs/dbraw/zinc/97/63/45/656976345.db2.gz JOOFQWLNDAYBLT-VXGBXAGGSA-N 2 1 283.372 -1.517 20 0 CAADMP NC(=O)C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC000958590993 656976411 /nfs/dbraw/zinc/97/64/11/656976411.db2.gz DVHLXYXIIYNZRR-WDEREUQCSA-N 2 1 296.371 -2.024 20 0 CAADMP NC(=O)C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC000958590993 656976425 /nfs/dbraw/zinc/97/64/25/656976425.db2.gz DVHLXYXIIYNZRR-WDEREUQCSA-N 2 1 296.371 -2.024 20 0 CAADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@@H]([NH2+]CC(N)=O)C2)O1 ZINC000969071751 657059784 /nfs/dbraw/zinc/05/97/84/657059784.db2.gz DGHBPYCUQVHNIZ-GMTAPVOTSA-N 2 1 284.360 -1.619 20 0 CAADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@@H]([NH2+]CC(N)=O)C2)O1 ZINC000969071751 657059788 /nfs/dbraw/zinc/05/97/88/657059788.db2.gz DGHBPYCUQVHNIZ-GMTAPVOTSA-N 2 1 284.360 -1.619 20 0 CAADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@@H]([NH2+]CCO)C2)O1 ZINC000969071689 657060294 /nfs/dbraw/zinc/06/02/94/657060294.db2.gz ALGPRHRFXHDJCO-IJLUTSLNSA-N 2 1 271.361 -1.112 20 0 CAADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@@H]([NH2+]CCO)C2)O1 ZINC000969071689 657060301 /nfs/dbraw/zinc/06/03/01/657060301.db2.gz ALGPRHRFXHDJCO-IJLUTSLNSA-N 2 1 271.361 -1.112 20 0 CAADMP Cn1nnnc1C[NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001018628941 657236654 /nfs/dbraw/zinc/23/66/54/657236654.db2.gz UEHSEWWXEUUBKU-WDEREUQCSA-N 2 1 293.375 -1.005 20 0 CAADMP Cn1nnnc1C[NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001018628941 657236662 /nfs/dbraw/zinc/23/66/62/657236662.db2.gz UEHSEWWXEUUBKU-WDEREUQCSA-N 2 1 293.375 -1.005 20 0 CAADMP C[N@@H+]1CCO[C@H](C(=O)N2CC[C@H]([NH2+]CCO)C2)C1 ZINC001018665774 657240873 /nfs/dbraw/zinc/24/08/73/657240873.db2.gz WUKUAQCNKVFMIW-QWRGUYRKSA-N 2 1 257.334 -1.500 20 0 CAADMP C[N@H+]1CCO[C@H](C(=O)N2CC[C@H]([NH2+]CCO)C2)C1 ZINC001018665774 657240893 /nfs/dbraw/zinc/24/08/93/657240893.db2.gz WUKUAQCNKVFMIW-QWRGUYRKSA-N 2 1 257.334 -1.500 20 0 CAADMP CC(C)[N@@H+]1CCO[C@@H](C(=O)N2CC[C@H]([NH2+]CC(N)=O)C2)C1 ZINC001019285256 657259993 /nfs/dbraw/zinc/25/99/93/657259993.db2.gz GPHOFGXMALNLEX-NWDGAFQWSA-N 2 1 298.387 -1.229 20 0 CAADMP CC(C)[N@H+]1CCO[C@@H](C(=O)N2CC[C@H]([NH2+]CC(N)=O)C2)C1 ZINC001019285256 657260003 /nfs/dbraw/zinc/26/00/03/657260003.db2.gz GPHOFGXMALNLEX-NWDGAFQWSA-N 2 1 298.387 -1.229 20 0 CAADMP NC(=O)C[NH2+][C@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001019518371 657269239 /nfs/dbraw/zinc/26/92/39/657269239.db2.gz LXADFVVFOCBFFP-NSHDSACASA-N 2 1 284.360 -1.616 20 0 CAADMP C[C@@H]([NH2+][C@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1)C(N)=O ZINC001019512829 657270211 /nfs/dbraw/zinc/27/02/11/657270211.db2.gz DHASEQALXBSIAN-NEPJUHHUSA-N 2 1 298.387 -1.227 20 0 CAADMP C[C@H]([NH2+][C@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1)C(N)=O ZINC001019512830 657270390 /nfs/dbraw/zinc/27/03/90/657270390.db2.gz DHASEQALXBSIAN-RYUDHWBXSA-N 2 1 298.387 -1.227 20 0 CAADMP CC[N@@H+]1CCO[C@H](C(=O)N2CC[C@H]([NH2+]CC(N)=O)C2)C1 ZINC001019800365 657279308 /nfs/dbraw/zinc/27/93/08/657279308.db2.gz HCDDDJPIDNQPCP-QWRGUYRKSA-N 2 1 284.360 -1.617 20 0 CAADMP CC[N@H+]1CCO[C@H](C(=O)N2CC[C@H]([NH2+]CC(N)=O)C2)C1 ZINC001019800365 657279317 /nfs/dbraw/zinc/27/93/17/657279317.db2.gz HCDDDJPIDNQPCP-QWRGUYRKSA-N 2 1 284.360 -1.617 20 0 CAADMP CC[N@@H+]1CCO[C@@H](C(=O)N2CC[C@H]([NH2+]CC(N)=O)C2)C1 ZINC001019800366 657279812 /nfs/dbraw/zinc/27/98/12/657279812.db2.gz HCDDDJPIDNQPCP-WDEREUQCSA-N 2 1 284.360 -1.617 20 0 CAADMP CC[N@H+]1CCO[C@@H](C(=O)N2CC[C@H]([NH2+]CC(N)=O)C2)C1 ZINC001019800366 657279817 /nfs/dbraw/zinc/27/98/17/657279817.db2.gz HCDDDJPIDNQPCP-WDEREUQCSA-N 2 1 284.360 -1.617 20 0 CAADMP Cc1[nH+]ccn1CC(=O)N1CC[C@H]([NH2+]CC(N)=O)C1 ZINC001019777882 657280369 /nfs/dbraw/zinc/28/03/69/657280369.db2.gz CPJAHDJTGCHVHK-JTQLQIEISA-N 2 1 265.317 -1.133 20 0 CAADMP C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC(N)=O)C1 ZINC001020025960 657283661 /nfs/dbraw/zinc/28/36/61/657283661.db2.gz AXGLCWRHICNIRX-OPRDCNLKSA-N 2 1 254.334 -1.197 20 0 CAADMP C[C@H]([NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1)C(N)=O ZINC001020045433 657283925 /nfs/dbraw/zinc/28/39/25/657283925.db2.gz BLZIJIZJLVIGGV-NAKRPEOUSA-N 2 1 284.360 -1.572 20 0 CAADMP C[C@H]([NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1)C(N)=O ZINC001020045433 657283939 /nfs/dbraw/zinc/28/39/39/657283939.db2.gz BLZIJIZJLVIGGV-NAKRPEOUSA-N 2 1 284.360 -1.572 20 0 CAADMP C[C@@H]([NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1)C(N)=O ZINC001020045432 657284522 /nfs/dbraw/zinc/28/45/22/657284522.db2.gz BLZIJIZJLVIGGV-GWOFURMSSA-N 2 1 284.360 -1.572 20 0 CAADMP C[C@@H]([NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1)C(N)=O ZINC001020045432 657284529 /nfs/dbraw/zinc/28/45/29/657284529.db2.gz BLZIJIZJLVIGGV-GWOFURMSSA-N 2 1 284.360 -1.572 20 0 CAADMP C[N@@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H]([NH2+][C@H]3CCNC3=O)C2)C1 ZINC001020046095 657286796 /nfs/dbraw/zinc/28/67/96/657286796.db2.gz UAYMAKZNKZVQHB-BJDJZHNGSA-N 2 1 296.371 -1.558 20 0 CAADMP C[N@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H]([NH2+][C@H]3CCNC3=O)C2)C1 ZINC001020046095 657286805 /nfs/dbraw/zinc/28/68/05/657286805.db2.gz UAYMAKZNKZVQHB-BJDJZHNGSA-N 2 1 296.371 -1.558 20 0 CAADMP C[C@@H]([NH2+][C@@H]1C[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1)C(N)=O ZINC001020287194 657292927 /nfs/dbraw/zinc/29/29/27/657292927.db2.gz XAMTUOSRLVMMAL-LZQZFOIKSA-N 2 1 298.387 -1.184 20 0 CAADMP C[C@@H]([NH2+][C@@H]1C[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1)C(N)=O ZINC001020287194 657292930 /nfs/dbraw/zinc/29/29/30/657292930.db2.gz XAMTUOSRLVMMAL-LZQZFOIKSA-N 2 1 298.387 -1.184 20 0 CAADMP C[NH+](C)CCC(=O)N[C@@H]1[C@H]2C[N@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC001114774160 782213465 /nfs/dbraw/zinc/21/34/65/782213465.db2.gz JCTGIAMAIGIPFS-SRRSOLGSSA-N 2 1 280.372 -1.127 20 0 CAADMP CNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[NH+](C)C ZINC001114774747 782213656 /nfs/dbraw/zinc/21/36/56/782213656.db2.gz UCAIZBLLUJFLJE-IWIIMEHWSA-N 2 1 268.361 -1.270 20 0 CAADMP CNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[NH+](C)C ZINC001114774747 782213671 /nfs/dbraw/zinc/21/36/71/782213671.db2.gz UCAIZBLLUJFLJE-IWIIMEHWSA-N 2 1 268.361 -1.270 20 0 CAADMP C[NH+](C)CCC(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC001114774161 782213790 /nfs/dbraw/zinc/21/37/90/782213790.db2.gz JCTGIAMAIGIPFS-XZUYRWCXSA-N 2 1 280.372 -1.127 20 0 CAADMP COC[C@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[NH+](C)C ZINC001114778129 782213916 /nfs/dbraw/zinc/21/39/16/782213916.db2.gz FSEWQQAFKHOGIZ-NMKXLXIOSA-N 2 1 285.388 -1.008 20 0 CAADMP CC[C@@H](C(=O)N[C@@H]1[C@H]2C[N@H+](CC(N)=O)C[C@H]21)[NH+](C)C ZINC001114848894 782215782 /nfs/dbraw/zinc/21/57/82/782215782.db2.gz HPPWYWLJZRPQLB-MIZYBKAJSA-N 2 1 268.361 -1.142 20 0 CAADMP CC[C@@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(N)=O)C[C@H]21)[NH+](C)C ZINC001114848894 782215788 /nfs/dbraw/zinc/21/57/88/782215788.db2.gz HPPWYWLJZRPQLB-MIZYBKAJSA-N 2 1 268.361 -1.142 20 0 CAADMP COCC[N@@H+](C)C[C@@H](O)CN(C)CCN1CC[NH2+]CC1 ZINC000380728945 782231442 /nfs/dbraw/zinc/23/14/42/782231442.db2.gz RRNORNBEMZAUAM-AWEZNQCLSA-N 2 1 288.436 -1.238 20 0 CAADMP COCCN(C)C[C@@H](O)C[N@H+](C)CCN1CC[NH2+]CC1 ZINC000380728945 782231455 /nfs/dbraw/zinc/23/14/55/782231455.db2.gz RRNORNBEMZAUAM-AWEZNQCLSA-N 2 1 288.436 -1.238 20 0 CAADMP COCCN(C)C[C@@H](O)C[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000380728945 782231464 /nfs/dbraw/zinc/23/14/64/782231464.db2.gz RRNORNBEMZAUAM-AWEZNQCLSA-N 2 1 288.436 -1.238 20 0 CAADMP CN(C(=O)[C@@H]1CCC[NH+]1C)[C@H]1C[N@@H+](CCCO)C[C@@H]1O ZINC001047323958 782460712 /nfs/dbraw/zinc/46/07/12/782460712.db2.gz DEMXUYOPTUUQDK-AVGNSLFASA-N 2 1 285.388 -1.034 20 0 CAADMP CN(C(=O)[C@@H]1CCC[N@@H+]1C)[C@H]1C[NH+](CCCO)C[C@@H]1O ZINC001047323958 782460722 /nfs/dbraw/zinc/46/07/22/782460722.db2.gz DEMXUYOPTUUQDK-AVGNSLFASA-N 2 1 285.388 -1.034 20 0 CAADMP CN(C(=O)[C@@H]1CCC[N@H+]1C)[C@H]1C[NH+](CCCO)C[C@@H]1O ZINC001047323958 782460730 /nfs/dbraw/zinc/46/07/30/782460730.db2.gz DEMXUYOPTUUQDK-AVGNSLFASA-N 2 1 285.388 -1.034 20 0 CAADMP C[C@@H]1CC[N@H+](CC(=O)N(C)[C@H]2C[NH+](CCO)C[C@@H]2O)C1 ZINC001047528677 782489055 /nfs/dbraw/zinc/48/90/55/782489055.db2.gz XMRPRKVUCRFYPD-AGIUHOORSA-N 2 1 285.388 -1.176 20 0 CAADMP C[C@@H]1CC[N@@H+](CC(=O)N(C)[C@H]2C[NH+](CCO)C[C@@H]2O)C1 ZINC001047528677 782489062 /nfs/dbraw/zinc/48/90/62/782489062.db2.gz XMRPRKVUCRFYPD-AGIUHOORSA-N 2 1 285.388 -1.176 20 0 CAADMP C[C@@H]1CC[NH+](CC(=O)N(C)[C@H]2C[N@H+](CCO)C[C@@H]2O)C1 ZINC001047528677 782489071 /nfs/dbraw/zinc/48/90/71/782489071.db2.gz XMRPRKVUCRFYPD-AGIUHOORSA-N 2 1 285.388 -1.176 20 0 CAADMP C[C@@H]1CC[NH+](CC(=O)N(C)[C@H]2C[N@@H+](CCO)C[C@@H]2O)C1 ZINC001047528677 782489078 /nfs/dbraw/zinc/48/90/78/782489078.db2.gz XMRPRKVUCRFYPD-AGIUHOORSA-N 2 1 285.388 -1.176 20 0 CAADMP C[C@@H]1CCC[N@@H+]1CC(=O)N(C)[C@H]1C[NH+](CCO)C[C@@H]1O ZINC001047529052 782488305 /nfs/dbraw/zinc/48/83/05/782488305.db2.gz OLHGLVFPWXBSGY-AGIUHOORSA-N 2 1 285.388 -1.034 20 0 CAADMP C[C@@H]1CCC[N@H+]1CC(=O)N(C)[C@H]1C[NH+](CCO)C[C@@H]1O ZINC001047529052 782488313 /nfs/dbraw/zinc/48/83/13/782488313.db2.gz OLHGLVFPWXBSGY-AGIUHOORSA-N 2 1 285.388 -1.034 20 0 CAADMP C[C@@H]1CCC[NH+]1CC(=O)N(C)[C@H]1C[N@H+](CCO)C[C@@H]1O ZINC001047529052 782488317 /nfs/dbraw/zinc/48/83/17/782488317.db2.gz OLHGLVFPWXBSGY-AGIUHOORSA-N 2 1 285.388 -1.034 20 0 CAADMP C[C@@H]1CCC[NH+]1CC(=O)N(C)[C@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001047529052 782488321 /nfs/dbraw/zinc/48/83/21/782488321.db2.gz OLHGLVFPWXBSGY-AGIUHOORSA-N 2 1 285.388 -1.034 20 0 CAADMP C[C@H]1CC[N@H+](CC(=O)N(C)[C@H]2C[NH+](CCO)C[C@@H]2O)C1 ZINC001047528678 782488389 /nfs/dbraw/zinc/48/83/89/782488389.db2.gz XMRPRKVUCRFYPD-AVGNSLFASA-N 2 1 285.388 -1.176 20 0 CAADMP C[C@H]1CC[N@@H+](CC(=O)N(C)[C@H]2C[NH+](CCO)C[C@@H]2O)C1 ZINC001047528678 782488393 /nfs/dbraw/zinc/48/83/93/782488393.db2.gz XMRPRKVUCRFYPD-AVGNSLFASA-N 2 1 285.388 -1.176 20 0 CAADMP C[C@H]1CC[NH+](CC(=O)N(C)[C@H]2C[N@H+](CCO)C[C@@H]2O)C1 ZINC001047528678 782488397 /nfs/dbraw/zinc/48/83/97/782488397.db2.gz XMRPRKVUCRFYPD-AVGNSLFASA-N 2 1 285.388 -1.176 20 0 CAADMP C[C@H]1CC[NH+](CC(=O)N(C)[C@H]2C[N@@H+](CCO)C[C@@H]2O)C1 ZINC001047528678 782488403 /nfs/dbraw/zinc/48/84/03/782488403.db2.gz XMRPRKVUCRFYPD-AVGNSLFASA-N 2 1 285.388 -1.176 20 0 CAADMP C[C@H]1CCC[N@@H+]1CC(=O)N(C)[C@H]1C[NH+](CCO)C[C@@H]1O ZINC001047529053 782490010 /nfs/dbraw/zinc/49/00/10/782490010.db2.gz OLHGLVFPWXBSGY-AVGNSLFASA-N 2 1 285.388 -1.034 20 0 CAADMP C[C@H]1CCC[N@H+]1CC(=O)N(C)[C@H]1C[NH+](CCO)C[C@@H]1O ZINC001047529053 782490020 /nfs/dbraw/zinc/49/00/20/782490020.db2.gz OLHGLVFPWXBSGY-AVGNSLFASA-N 2 1 285.388 -1.034 20 0 CAADMP C[C@H]1CCC[NH+]1CC(=O)N(C)[C@H]1C[N@H+](CCO)C[C@@H]1O ZINC001047529053 782490028 /nfs/dbraw/zinc/49/00/28/782490028.db2.gz OLHGLVFPWXBSGY-AVGNSLFASA-N 2 1 285.388 -1.034 20 0 CAADMP C[C@H]1CCC[NH+]1CC(=O)N(C)[C@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001047529053 782490033 /nfs/dbraw/zinc/49/00/33/782490033.db2.gz OLHGLVFPWXBSGY-AVGNSLFASA-N 2 1 285.388 -1.034 20 0 CAADMP CN1CCO[C@@H](C(=O)N2C[C@@H]3C[N@H+](CCO)C[C@@H]3C2)C1 ZINC001048739870 782516436 /nfs/dbraw/zinc/51/64/36/782516436.db2.gz POJALJALUGRRHZ-FRRDWIJNSA-N 2 1 283.372 -1.301 20 0 CAADMP C[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H]3C[NH+](CCO)C[C@@H]3C2)C1 ZINC001048739870 782516442 /nfs/dbraw/zinc/51/64/42/782516442.db2.gz POJALJALUGRRHZ-FRRDWIJNSA-N 2 1 283.372 -1.301 20 0 CAADMP C[N@H+]1CCO[C@@H](C(=O)N2C[C@@H]3C[NH+](CCO)C[C@@H]3C2)C1 ZINC001048739870 782516448 /nfs/dbraw/zinc/51/64/48/782516448.db2.gz POJALJALUGRRHZ-FRRDWIJNSA-N 2 1 283.372 -1.301 20 0 CAADMP C[NH+]1CCO[C@@H](C(=O)N2C[C@@H]3C[N@@H+](CCO)C[C@@H]3C2)C1 ZINC001048739870 782516457 /nfs/dbraw/zinc/51/64/57/782516457.db2.gz POJALJALUGRRHZ-FRRDWIJNSA-N 2 1 283.372 -1.301 20 0 CAADMP C[NH+]1CCO[C@@H](C(=O)N2C[C@@H]3C[N@H+](CCO)C[C@@H]3C2)C1 ZINC001048739870 782516461 /nfs/dbraw/zinc/51/64/61/782516461.db2.gz POJALJALUGRRHZ-FRRDWIJNSA-N 2 1 283.372 -1.301 20 0 CAADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CCN3C(=O)C(=O)NC[C@H]3C2)C1 ZINC000903456334 782531458 /nfs/dbraw/zinc/53/14/58/782531458.db2.gz HAFNSSYGDMUGSO-AXFHLTTASA-N 2 1 266.345 -1.244 20 0 CAADMP CON1CC[C@H]([N@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)C1=O ZINC000903422457 782532123 /nfs/dbraw/zinc/53/21/23/782532123.db2.gz DJJXZHVYDHSSDN-MNOVXSKESA-N 2 1 284.360 -1.064 20 0 CAADMP CON1CC[C@H]([N@H+](C)CCN2CC[NH2+]CC2)C1=O ZINC000903423787 782532850 /nfs/dbraw/zinc/53/28/50/782532850.db2.gz ZKFBFLKGKXGFQB-NSHDSACASA-N 2 1 256.350 -1.014 20 0 CAADMP CON1CC[C@H]([N@@H+](C)CCN2CC[NH2+]CC2)C1=O ZINC000903423787 782532851 /nfs/dbraw/zinc/53/28/51/782532851.db2.gz ZKFBFLKGKXGFQB-NSHDSACASA-N 2 1 256.350 -1.014 20 0 CAADMP CON1CC[C@@H]([N@H+](C)CCN2CC[NH2+]CC2)C1=O ZINC000903423762 782532930 /nfs/dbraw/zinc/53/29/30/782532930.db2.gz ZKFBFLKGKXGFQB-LLVKDONJSA-N 2 1 256.350 -1.014 20 0 CAADMP CON1CC[C@@H]([N@@H+](C)CCN2CC[NH2+]CC2)C1=O ZINC000903423762 782532934 /nfs/dbraw/zinc/53/29/34/782532934.db2.gz ZKFBFLKGKXGFQB-LLVKDONJSA-N 2 1 256.350 -1.014 20 0 CAADMP CON1CC[C@@H]([N@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)C1=O ZINC000903422456 782533199 /nfs/dbraw/zinc/53/31/99/782533199.db2.gz DJJXZHVYDHSSDN-GHMZBOCLSA-N 2 1 284.360 -1.064 20 0 CAADMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+](CCn1cnnn1)C2 ZINC000903494525 782535139 /nfs/dbraw/zinc/53/51/39/782535139.db2.gz IMXBQIJUUMSMKZ-UMNHJUIQSA-N 2 1 280.332 -1.115 20 0 CAADMP O[C@@H]1CC[NH+](CCCC[N@@H+]2CC[C@@H](O)[C@@H](O)C2)C[C@@H]1O ZINC001119260690 779610485 /nfs/dbraw/zinc/61/04/85/779610485.db2.gz HYKQZOHRVPPBGZ-MQYQWHSLSA-N 2 1 288.388 -1.378 20 0 CAADMP CN1CCN(C(=O)[C@@H]2OCC[C@@H]2[NH3+])CC[N@@H+](C)CC1 ZINC001122376458 779667083 /nfs/dbraw/zinc/66/70/83/779667083.db2.gz AWJCGKDSTJAMFP-NWDGAFQWSA-N 2 1 270.377 -1.192 20 0 CAADMP [NH3+]CCC(=O)NC[C@@]1(CO)COC[C@@H]2CCC[N@H+]21 ZINC001122573009 779671974 /nfs/dbraw/zinc/67/19/74/779671974.db2.gz FERMWDJSEIHWPI-CMPLNLGQSA-N 2 1 257.334 -1.323 20 0 CAADMP [NH3+]CCNCC(=O)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC001122535660 779672430 /nfs/dbraw/zinc/67/24/30/779672430.db2.gz DSXULQIVFDNFBB-RYUDHWBXSA-N 2 1 270.377 -1.408 20 0 CAADMP C[C@@H]1C[C@H](NC(=O)C(=O)NC[C@@H]2COCC[NH2+]2)CC[N@H+]1C ZINC001118864234 779591500 /nfs/dbraw/zinc/59/15/00/779591500.db2.gz ANKDGEVINIUICL-IJLUTSLNSA-N 2 1 298.387 -1.310 20 0 CAADMP C[C@@H]1C[C@H](NC(=O)C(=O)NC[C@H]2COCC[NH2+]2)CC[N@H+]1C ZINC001118864235 779591595 /nfs/dbraw/zinc/59/15/95/779591595.db2.gz ANKDGEVINIUICL-UTUOFQBUSA-N 2 1 298.387 -1.310 20 0 CAADMP CN(C)S(=O)(=O)N1CC[NH2+][C@H]2CC[NH2+]CC[C@@H]21 ZINC001239009802 780527682 /nfs/dbraw/zinc/52/76/82/780527682.db2.gz GESVRRTZTSDUMU-UWVGGRQHSA-N 2 1 262.379 -1.181 20 0 CAADMP O=S(=O)(CC1CC[NH2+]CC1)N1CC[NH2+]C[C@H]1CO ZINC001239072719 780530518 /nfs/dbraw/zinc/53/05/18/780530518.db2.gz BLJJRSPVAGDVFT-NSHDSACASA-N 2 1 277.390 -1.418 20 0 CAADMP CN(C)CCN(CC[NH+](C)C)S(=O)(=O)CC[NH3+] ZINC001239084449 780530526 /nfs/dbraw/zinc/53/05/26/780530526.db2.gz QAEOBQRKPBCWFM-UHFFFAOYSA-N 2 1 266.411 -1.300 20 0 CAADMP COC(=O)[C@H]([NH3+])[C@@H]1CCCN(S(=O)(=O)CC[NH3+])C1 ZINC001239129889 780532314 /nfs/dbraw/zinc/53/23/14/780532314.db2.gz QERFGGFRDGMFME-RKDXNWHRSA-N 2 1 279.362 -1.513 20 0 CAADMP CN(C)CCN(C1CC[NH2+]CC1)S(=O)(=O)CC[NH3+] ZINC001239167126 780534769 /nfs/dbraw/zinc/53/47/69/780534769.db2.gz JVNZILXLJGWEAB-UHFFFAOYSA-N 2 1 278.422 -1.110 20 0 CAADMP CN(C)CCN([C@@H]1CCC[NH2+]C1)S(=O)(=O)CC[NH3+] ZINC001239168357 780535137 /nfs/dbraw/zinc/53/51/37/780535137.db2.gz YQGQLLDVPYJCCZ-LLVKDONJSA-N 2 1 278.422 -1.110 20 0 CAADMP [NH3+][C@@H]1CN(C(=S)NCCC[NH+]2CCOCC2)C[C@H]1O ZINC001239404618 780536421 /nfs/dbraw/zinc/53/64/21/780536421.db2.gz FIWZESXQNQMAAT-GHMZBOCLSA-N 2 1 288.417 -1.413 20 0 CAADMP COC(=O)[C@@H]1C[C@@H](N2CCOC[C@]3(C[NH2+]CCO3)C2)C[NH2+]1 ZINC001246602089 780558224 /nfs/dbraw/zinc/55/82/24/780558224.db2.gz IYRLUCUHRVKWFS-DYEKYZERSA-N 2 1 299.371 -1.419 20 0 CAADMP COC(=O)[C@@H]1C[C@@H](N2CC[NH2+]C[C@@]23CC[NH2+]C3)CCN1 ZINC001246623743 780558555 /nfs/dbraw/zinc/55/85/55/780558555.db2.gz KUNFMPMJGNOAIB-OBJOEFQTSA-N 2 1 282.388 -1.083 20 0 CAADMP C1[NH2+]CC12C[C@H]([N@H+]1CCOC[C@]3(CNCCO3)C1)CCN2 ZINC001246601127 780558579 /nfs/dbraw/zinc/55/85/79/780558579.db2.gz GWKQNTLTTFMTDT-HIFRSBDPSA-N 2 1 296.415 -1.229 20 0 CAADMP COC(=O)[C@H]1C[C@H](N2CC[NH2+][C@H]3CC[NH2+]CC[C@@H]32)CN1 ZINC001246616832 780559107 /nfs/dbraw/zinc/55/91/07/780559107.db2.gz FMBSQTOXSWZEHX-RVMXOQNASA-N 2 1 282.388 -1.084 20 0 CAADMP COC(=O)[C@@H]1C[C@@H](N2CCN3CC[NH2+]C[C@@H]3C2)C[NH2+]1 ZINC001246624713 780559129 /nfs/dbraw/zinc/55/91/29/780559129.db2.gz OIDJBLJSCHDEIJ-UTUOFQBUSA-N 2 1 268.361 -1.521 20 0 CAADMP COC(=O)[C@@H]1C[C@H](N2CC[NH2+]C[C@]23CC[NH2+]C3)CCN1 ZINC001246623741 780559224 /nfs/dbraw/zinc/55/92/24/780559224.db2.gz KUNFMPMJGNOAIB-MBNYWOFBSA-N 2 1 282.388 -1.083 20 0 CAADMP C[N@@H+]1CCC[C@H](N2CN[C@H]([NH3+])[C@@H]3NCN[C@@H]32)CC1 ZINC001254513359 780605257 /nfs/dbraw/zinc/60/52/57/780605257.db2.gz XDKAHFBMZLJHQB-FIQHERPVSA-N 2 1 254.382 -1.537 20 0 CAADMP C[N@H+]1CCC[C@H](N2CN[C@H]([NH3+])[C@@H]3NCN[C@@H]32)CC1 ZINC001254513359 780605258 /nfs/dbraw/zinc/60/52/58/780605258.db2.gz XDKAHFBMZLJHQB-FIQHERPVSA-N 2 1 254.382 -1.537 20 0 CAADMP C[N@@H+]1CCC[C@H](N2CN[C@H]([NH3+])[C@@H]3NCN[C@H]32)CC1 ZINC001254513356 780605392 /nfs/dbraw/zinc/60/53/92/780605392.db2.gz XDKAHFBMZLJHQB-BJDJZHNGSA-N 2 1 254.382 -1.537 20 0 CAADMP C[N@H+]1CCC[C@H](N2CN[C@H]([NH3+])[C@@H]3NCN[C@H]32)CC1 ZINC001254513356 780605396 /nfs/dbraw/zinc/60/53/96/780605396.db2.gz XDKAHFBMZLJHQB-BJDJZHNGSA-N 2 1 254.382 -1.537 20 0 CAADMP CC(C)[NH+]1CCC(N2CN[C@H]([NH3+])[C@@H]3NCN[C@H]32)CC1 ZINC001257212808 780628002 /nfs/dbraw/zinc/62/80/02/780628002.db2.gz CEORSMVOSNRZPK-AVGNSLFASA-N 2 1 268.409 -1.148 20 0 CAADMP CC(C)[NH+]1CCC(N2CN[C@H]([NH3+])[C@H]3NCN[C@H]32)CC1 ZINC001257212807 780628581 /nfs/dbraw/zinc/62/85/81/780628581.db2.gz CEORSMVOSNRZPK-AGIUHOORSA-N 2 1 268.409 -1.148 20 0 CAADMP COC(=O)[C@H](CCC[NH3+])NC(=O)C[NH2+]C1CC[NH2+]CC1 ZINC001221188556 780405277 /nfs/dbraw/zinc/40/52/77/780405277.db2.gz XKLPYWTYNQBTNJ-NSHDSACASA-N 3 1 286.376 -1.275 20 0 CAADMP COC(=O)[C@H](CCC[NH3+])NC(=O)[C@@H]([NH3+])Cc1c[nH]cn1 ZINC001221188614 780406191 /nfs/dbraw/zinc/40/61/91/780406191.db2.gz ZFJZZQIRTINAKB-UWVGGRQHSA-N 2 1 283.332 -1.324 20 0 CAADMP [NH3+][C@H](C(=O)N1CN[C@@H]([NH3+])[C@H]2NCN[C@@H]21)C1CCCCC1 ZINC001221265184 780409670 /nfs/dbraw/zinc/40/96/70/780409670.db2.gz HUBLIQIGLKVWGA-IRCOFANPSA-N 2 1 282.392 -1.587 20 0 CAADMP CCCCC[C@H]([NH2+]C)C(=O)N1CN[C@H]([NH3+])[C@H]2NCN[C@H]21 ZINC001221265114 780409727 /nfs/dbraw/zinc/40/97/27/780409727.db2.gz GZONKGFGHFWWFY-USZNOCQGSA-N 2 1 284.408 -1.326 20 0 CAADMP CCCCC[C@H]([NH2+]C)C(=O)N1CN[C@H]([NH3+])[C@@H]2NCN[C@H]21 ZINC001221265112 780409777 /nfs/dbraw/zinc/40/97/77/780409777.db2.gz GZONKGFGHFWWFY-BJDJZHNGSA-N 2 1 284.408 -1.326 20 0 CAADMP C[C@@H]1[NH2+]CCC[C@@H]1C(=O)N1CN[C@H]([NH3+])[C@H]2NCN[C@H]21 ZINC001221264841 780409814 /nfs/dbraw/zinc/40/98/14/780409814.db2.gz BDINIJJZLNGFOO-HHKYUTTNSA-N 2 1 268.365 -2.106 20 0 CAADMP CC(C)C[C@@](C)([NH3+])C(=O)N1CN[C@H]([NH3+])[C@@H]2NCN[C@@H]21 ZINC001221265133 780409952 /nfs/dbraw/zinc/40/99/52/780409952.db2.gz HCTPVDOTUFQCPW-UXCLJVHYSA-N 2 1 270.381 -1.731 20 0 CAADMP [NH3+][C@@H](CC1CCC1)C(=O)N1CN[C@@H]([NH3+])[C@H]2NCN[C@H]21 ZINC001221264971 780409981 /nfs/dbraw/zinc/40/99/81/780409981.db2.gz DGSKDAQRHLGIJW-ZDCRXTMVSA-N 2 1 268.365 -1.977 20 0 CAADMP [NH3+]CC1CCC(C(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@H]32)CC1 ZINC001221265054 780410043 /nfs/dbraw/zinc/41/00/43/780410043.db2.gz FXROCIOVEPVTRW-ULOBAINLSA-N 2 1 282.392 -1.729 20 0 CAADMP [NH3+][C@@H]1NCN(C(=O)C2CC3(C[NH2+]C3)C2)[C@@H]2NCN[C@@H]21 ZINC001221265141 780410062 /nfs/dbraw/zinc/41/00/62/780410062.db2.gz HFKMDXQFYVKZIS-BBBLOLIVSA-N 2 1 266.349 -2.495 20 0 CAADMP [NH3+][C@@H]1NCN(C(=O)C2CC3(C[NH2+]C3)C2)[C@H]2NCN[C@H]21 ZINC001221265142 780410234 /nfs/dbraw/zinc/41/02/34/780410234.db2.gz HFKMDXQFYVKZIS-IVZWLZJFSA-N 2 1 266.349 -2.495 20 0 CAADMP [NH3+][C@@H](CC1CCC1)C(=O)N1CN[C@@H]([NH3+])[C@@H]2NCN[C@@H]21 ZINC001221264970 780410357 /nfs/dbraw/zinc/41/03/57/780410357.db2.gz DGSKDAQRHLGIJW-UKKRHICBSA-N 2 1 268.365 -1.977 20 0 CAADMP [NH3+][C@@H]1NCN(C(=O)C2CC3(C[NH2+]C3)C2)[C@@H]2NCN[C@H]21 ZINC001221265140 780410406 /nfs/dbraw/zinc/41/04/06/780410406.db2.gz HFKMDXQFYVKZIS-AEJSXWLSSA-N 2 1 266.349 -2.495 20 0 CAADMP CC(C)C[C@@](C)([NH3+])C(=O)N1CN[C@H]([NH3+])[C@H]2NCN[C@@H]21 ZINC001221265130 780410676 /nfs/dbraw/zinc/41/06/76/780410676.db2.gz HCTPVDOTUFQCPW-DTHBNOIPSA-N 2 1 270.381 -1.731 20 0 CAADMP C[N@H+]1CCCN(CCNS(=O)(=O)CC[NH3+])CC1 ZINC001238527959 780518420 /nfs/dbraw/zinc/51/84/20/780518420.db2.gz NEZRNZLTQKFVJR-UHFFFAOYSA-N 2 1 264.395 -1.498 20 0 CAADMP CN(C)C1(CNS(=O)(=O)CC[NH3+])CC[NH+](C)CC1 ZINC001238380157 780518951 /nfs/dbraw/zinc/51/89/51/780518951.db2.gz ZIKHFYQVOPZUSK-UHFFFAOYSA-N 2 1 278.422 -1.110 20 0 CAADMP COC(=O)[C@@H]([NH3+])CCCCNS(=O)(=O)CC[NH3+] ZINC001238425012 780519261 /nfs/dbraw/zinc/51/92/61/780519261.db2.gz JMLFQDAZNIIHPL-QMMMGPOBSA-N 2 1 267.351 -1.465 20 0 CAADMP [NH3+]CCS(=O)(=O)NCC[N@@H+]1CCC[C@H](O)C1 ZINC001238681862 780521594 /nfs/dbraw/zinc/52/15/94/780521594.db2.gz RFYBTKYGSKWJBR-VIFPVBQESA-N 2 1 251.352 -1.679 20 0 CAADMP [NH3+]CCS(=O)(=O)NCC[N@H+]1CCC[C@H](O)C1 ZINC001238681862 780521603 /nfs/dbraw/zinc/52/16/03/780521603.db2.gz RFYBTKYGSKWJBR-VIFPVBQESA-N 2 1 251.352 -1.679 20 0 CAADMP C[NH2+]CC(=O)NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC001261457693 780664353 /nfs/dbraw/zinc/66/43/53/780664353.db2.gz UUENBOSUVQWWFN-UHFFFAOYSA-N 2 1 256.350 -1.125 20 0 CAADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)CNCC[NH3+])CC1 ZINC001263103240 780719323 /nfs/dbraw/zinc/71/93/23/780719323.db2.gz TVTAWQKSQYJTDY-CYBMUJFWSA-N 2 1 285.436 -1.076 20 0 CAADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)[C@H]([NH3+])CO ZINC001263099243 780719363 /nfs/dbraw/zinc/71/93/63/780719363.db2.gz DDYPLIMMDVVDLT-MNOVXSKESA-N 2 1 286.376 -1.635 20 0 CAADMP C[NH2+]C[C@@H](O)[C@@H](C)C(=O)NCCC[NH+]1CCN(C)CC1 ZINC001263103365 780719818 /nfs/dbraw/zinc/71/98/18/780719818.db2.gz XFBVVOKCAFPNGK-CHWSQXEVSA-N 2 1 286.420 -1.044 20 0 CAADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)[C@H]([NH3+])CO ZINC001263099242 780720087 /nfs/dbraw/zinc/72/00/87/780720087.db2.gz DDYPLIMMDVVDLT-GHMZBOCLSA-N 2 1 286.376 -1.635 20 0 CAADMP C[C@@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)COCC[NH+](C)C ZINC001115126830 781912179 /nfs/dbraw/zinc/91/21/79/781912179.db2.gz VTVBIORXIPSNJA-MEWQQHAOSA-N 2 1 298.387 -1.515 20 0 CAADMP C[C@@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)COCC[NH+](C)C ZINC001115126830 781912183 /nfs/dbraw/zinc/91/21/83/781912183.db2.gz VTVBIORXIPSNJA-MEWQQHAOSA-N 2 1 298.387 -1.515 20 0 CAADMP C[NH+](C)CCCC(=O)N[C@H]1CC[N@@H+](CCO)C[C@@H]1O ZINC001099974187 782845674 /nfs/dbraw/zinc/84/56/74/782845674.db2.gz ODUGGNIZGCURPS-RYUDHWBXSA-N 2 1 273.377 -1.128 20 0 CAADMP CCC[N@@H+](C)CC(=O)N[C@H]1CC[NH+](CCO)C[C@@H]1O ZINC001100080126 782851741 /nfs/dbraw/zinc/85/17/41/782851741.db2.gz DURPOJVYQATREV-RYUDHWBXSA-N 2 1 273.377 -1.128 20 0 CAADMP CCC[NH+](C)CC(=O)N[C@H]1CC[N@H+](CCO)C[C@@H]1O ZINC001100080126 782851747 /nfs/dbraw/zinc/85/17/47/782851747.db2.gz DURPOJVYQATREV-RYUDHWBXSA-N 2 1 273.377 -1.128 20 0 CAADMP CCC[NH+](C)CC(=O)N[C@H]1CC[N@@H+](CCO)C[C@@H]1O ZINC001100080126 782851752 /nfs/dbraw/zinc/85/17/52/782851752.db2.gz DURPOJVYQATREV-RYUDHWBXSA-N 2 1 273.377 -1.128 20 0 CAADMP C[NH+](C)CCOCC(=O)N[C@@H]1[C@H]2C[N@@H+](CCCO)C[C@H]21 ZINC001115125962 782879425 /nfs/dbraw/zinc/87/94/25/782879425.db2.gz FRVGLVRLSJAINO-IMRBUKKESA-N 2 1 285.388 -1.007 20 0 CAADMP C[C@@H]1[C@H](C(=O)NCCN(C)CC(N)=O)CC[N@H+]1C ZINC001266275249 775103623 /nfs/dbraw/zinc/10/36/23/775103623.db2.gz RVODVZWZXVTQDC-NXEZZACHSA-N 2 1 256.350 -1.140 20 0 CAADMP [NH3+]C[C@H](O)CC(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000705604216 775122772 /nfs/dbraw/zinc/12/27/72/775122772.db2.gz XQCPVQPLZAIVLG-AXFHLTTASA-N 2 1 257.334 -1.325 20 0 CAADMP [NH3+]C[C@H](O)CC(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000705604221 775123571 /nfs/dbraw/zinc/12/35/71/775123571.db2.gz XQCPVQPLZAIVLG-MXWKQRLJSA-N 2 1 257.334 -1.325 20 0 CAADMP [NH3+]C[C@H](O)CC(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000705604217 775124078 /nfs/dbraw/zinc/12/40/78/775124078.db2.gz XQCPVQPLZAIVLG-GMTAPVOTSA-N 2 1 257.334 -1.325 20 0 CAADMP CNC(=O)C[NH+]1CCC(NC(=O)[C@H](C)[NH2+]C)CC1 ZINC000054073489 775152683 /nfs/dbraw/zinc/15/26/83/775152683.db2.gz BZVDGDPXIOLGKT-VIFPVBQESA-N 2 1 256.350 -1.079 20 0 CAADMP C[N@@H+]1C[C@H]2CN(C(=O)CN3CC[NH2+]CC3)C[C@H]2C1 ZINC000706990593 775167044 /nfs/dbraw/zinc/16/70/44/775167044.db2.gz JJMWINJVFCCOAL-TXEJJXNPSA-N 2 1 252.362 -1.088 20 0 CAADMP C[C@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)[NH2+]CCCO ZINC001266929653 775186520 /nfs/dbraw/zinc/18/65/20/775186520.db2.gz JEFKEFBWHIOMCY-MNOVXSKESA-N 2 1 259.350 -1.206 20 0 CAADMP C[C@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)[NH2+]CCCO ZINC001266929653 775186526 /nfs/dbraw/zinc/18/65/26/775186526.db2.gz JEFKEFBWHIOMCY-MNOVXSKESA-N 2 1 259.350 -1.206 20 0 CAADMP C[C@H](CNC(=O)CC[NH+]1CCOCC1)[NH2+]CCO ZINC001266978438 775191187 /nfs/dbraw/zinc/19/11/87/775191187.db2.gz NMWIIULIKJYREY-LLVKDONJSA-N 2 1 259.350 -1.205 20 0 CAADMP COC(=O)[C@@H](N)CC(=O)N1CC[C@H]([NH+]2CCC([NH3+])CC2)C1 ZINC001161377914 775195562 /nfs/dbraw/zinc/19/55/62/775195562.db2.gz JIQZIYCBKZXHBA-RYUDHWBXSA-N 2 1 298.387 -1.099 20 0 CAADMP COCC[N@@H+](C)C[C@H](O)CN1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC000382382045 775196270 /nfs/dbraw/zinc/19/62/70/775196270.db2.gz RNVWLIXNNZQXKW-AGIUHOORSA-N 2 1 275.393 -1.027 20 0 CAADMP COCC[N@@H+](C)C[C@H](O)CN1CCO[C@@H]([C@@H](C)[NH3+])C1 ZINC000382382049 775197386 /nfs/dbraw/zinc/19/73/86/775197386.db2.gz RNVWLIXNNZQXKW-FRRDWIJNSA-N 2 1 275.393 -1.027 20 0 CAADMP COC[C@@H](O)C[NH2+]CCN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001267470440 775249770 /nfs/dbraw/zinc/24/97/70/775249770.db2.gz XBLLEWZEYXAEFL-NEPJUHHUSA-N 2 1 273.377 -1.007 20 0 CAADMP O=C([C@H]1COC2(C[NH2+]C2)CN1)N1CC[N@H+]2CC[C@H]2C1 ZINC001161422114 775256923 /nfs/dbraw/zinc/25/69/23/775256923.db2.gz ZYSBFHDDBCFGDL-WDEREUQCSA-N 2 1 266.345 -1.767 20 0 CAADMP CC[N@@H+](C)C[C@H](O)CN1CCC(O)(C(N)=O)CC1 ZINC000311021120 775288232 /nfs/dbraw/zinc/28/82/32/775288232.db2.gz LSPJZFZIZKDJAR-JTQLQIEISA-N 2 1 259.350 -1.389 20 0 CAADMP C[C@H](CNC(=O)[C@H]1CCC[N@H+]1C)C[NH2+]CC(N)=O ZINC001267982538 775323330 /nfs/dbraw/zinc/32/33/30/775323330.db2.gz WFBJXSLIDYCHIU-VHSXEESVSA-N 2 1 256.350 -1.092 20 0 CAADMP C[N@@H+](C1CN(C(=O)[C@H]2C[NH2+]C[C@H]2O)C1)[C@H]1CCOC1 ZINC001161497768 775318620 /nfs/dbraw/zinc/31/86/20/775318620.db2.gz DGGICGJJCOTFID-ZMLRMANQSA-N 2 1 269.345 -1.502 20 0 CAADMP [NH3+][C@H](Cc1c[nH]cn1)C(=O)N1C[C@H]([NH3+])C2(COC2)C1 ZINC001161499791 775319764 /nfs/dbraw/zinc/31/97/64/775319764.db2.gz IIHGDHSTJNASPE-ZJUUUORDSA-N 3 1 265.317 -1.534 20 0 CAADMP N[C@H](CN1CCC([NH3+])CC1)C(=O)N1C[C@@H]([NH3+])C2(COC2)C1 ZINC001161508945 775349820 /nfs/dbraw/zinc/34/98/20/775349820.db2.gz HBUXTBGRKBDDME-VXGBXAGGSA-N 2 1 297.403 -2.077 20 0 CAADMP CN1CC2(C1)CN(C(=O)[C@@H]1C[NH2+]CC13C[NH2+]C3)C2 ZINC001161532614 775357729 /nfs/dbraw/zinc/35/77/29/775357729.db2.gz VSPZRDZLMKZEGG-JTQLQIEISA-N 2 1 250.346 -1.431 20 0 CAADMP C[N@H+]1CCc2ncnc(-n3nnc(CC[NH3+])n3)c2C1 ZINC001167789959 775362698 /nfs/dbraw/zinc/36/26/98/775362698.db2.gz AFDTZEBRGRIFGJ-UHFFFAOYSA-N 2 1 260.305 -1.059 20 0 CAADMP C[NH+]1CCN(c2ncc(-n3nnc(CC[NH3+])n3)cn2)CC1 ZINC001167790482 775362843 /nfs/dbraw/zinc/36/28/43/775362843.db2.gz HFWFWUNSEOSQMA-UHFFFAOYSA-N 2 1 289.347 -1.295 20 0 CAADMP C[N@@H+]1CCO[C@@H](C(=O)NC[C@H](O)C[NH2+]CCCO)C1 ZINC001268301025 775394397 /nfs/dbraw/zinc/39/43/97/775394397.db2.gz VSZFWJXDYUFKKW-GHMZBOCLSA-N 2 1 275.349 -2.234 20 0 CAADMP C[N@H+]1CCO[C@@H](C(=O)NC[C@H](O)C[NH2+]CCCO)C1 ZINC001268301025 775394405 /nfs/dbraw/zinc/39/44/05/775394405.db2.gz VSZFWJXDYUFKKW-GHMZBOCLSA-N 2 1 275.349 -2.234 20 0 CAADMP C[N@H+]1CC[C@@H](C(=O)NC[C@@H](O)C[NH2+]CCCO)C1 ZINC001268335761 775408574 /nfs/dbraw/zinc/40/85/74/775408574.db2.gz OZVGFLALASIDEY-MNOVXSKESA-N 2 1 259.350 -1.613 20 0 CAADMP N[C@@H](CN1CCC([NH3+])CC1)C(=O)N1CC[C@@](F)(C[NH3+])C1 ZINC001161245354 775415645 /nfs/dbraw/zinc/41/56/45/775415645.db2.gz CVNVCDYMSATIIW-WCQYABFASA-N 2 1 287.383 -1.364 20 0 CAADMP N[C@H](CN1CCC([NH3+])CC1)C(=O)N1CC[C@](F)(C[NH3+])C1 ZINC001161245358 775415897 /nfs/dbraw/zinc/41/58/97/775415897.db2.gz CVNVCDYMSATIIW-YPMHNXCESA-N 2 1 287.383 -1.364 20 0 CAADMP CC[N@@H+]1CCO[C@H](C(=O)NC/C=C/C[NH2+]CC(N)=O)C1 ZINC001268628379 775460139 /nfs/dbraw/zinc/46/01/39/775460139.db2.gz MTOSUOOUGUTRPI-UFFNRZRYSA-N 2 1 284.360 -1.546 20 0 CAADMP CC[N@H+]1CCO[C@H](C(=O)NC/C=C/C[NH2+]CC(N)=O)C1 ZINC001268628379 775460147 /nfs/dbraw/zinc/46/01/47/775460147.db2.gz MTOSUOOUGUTRPI-UFFNRZRYSA-N 2 1 284.360 -1.546 20 0 CAADMP CN(CCC[NH2+][C@@H]1CCNC1=O)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001268786073 775473830 /nfs/dbraw/zinc/47/38/30/775473830.db2.gz KZQFMBNBBHDWMS-NEPJUHHUSA-N 2 1 298.387 -1.356 20 0 CAADMP CN(CCC[NH2+][C@@H]1CCNC1=O)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001268786073 775473838 /nfs/dbraw/zinc/47/38/38/775473838.db2.gz KZQFMBNBBHDWMS-NEPJUHHUSA-N 2 1 298.387 -1.356 20 0 CAADMP CN(CCC[NH2+]CC(N)=O)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001268947031 775481416 /nfs/dbraw/zinc/48/14/16/775481416.db2.gz YSRQIKZEDLEMNG-JTQLQIEISA-N 2 1 256.350 -1.139 20 0 CAADMP CN(C)CC[N@@H+]1CCC2(CN(C(=O)CN(C)C(N)=[NH2+])C2)C1 ZINC001268997074 775482717 /nfs/dbraw/zinc/48/27/17/775482717.db2.gz UFBBKYSNJCTGRC-UHFFFAOYSA-N 2 1 296.419 -1.092 20 0 CAADMP CN(C)CC[N@H+]1CCC2(CN(C(=O)CN(C)C(N)=[NH2+])C2)C1 ZINC001268997074 775482719 /nfs/dbraw/zinc/48/27/19/775482719.db2.gz UFBBKYSNJCTGRC-UHFFFAOYSA-N 2 1 296.419 -1.092 20 0 CAADMP C[N@@H+]1CCO[C@@H](C(=O)N[C@H](C[NH2+]CCO)C2CC2)C1 ZINC001269055717 775487121 /nfs/dbraw/zinc/48/71/21/775487121.db2.gz FSFMGDACJYZZFK-VXGBXAGGSA-N 2 1 271.361 -1.206 20 0 CAADMP C[N@H+]1CCO[C@@H](C(=O)N[C@H](C[NH2+]CCO)C2CC2)C1 ZINC001269055717 775487124 /nfs/dbraw/zinc/48/71/24/775487124.db2.gz FSFMGDACJYZZFK-VXGBXAGGSA-N 2 1 271.361 -1.206 20 0 CAADMP C[N@@H+]1CCO[C@@H](C(=O)N[C@@H](C[NH2+]CCO)C2CC2)C1 ZINC001269055713 775487233 /nfs/dbraw/zinc/48/72/33/775487233.db2.gz FSFMGDACJYZZFK-NWDGAFQWSA-N 2 1 271.361 -1.206 20 0 CAADMP C[N@H+]1CCO[C@@H](C(=O)N[C@@H](C[NH2+]CCO)C2CC2)C1 ZINC001269055713 775487240 /nfs/dbraw/zinc/48/72/40/775487240.db2.gz FSFMGDACJYZZFK-NWDGAFQWSA-N 2 1 271.361 -1.206 20 0 CAADMP CNC(=O)C[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001269061992 775487930 /nfs/dbraw/zinc/48/79/30/775487930.db2.gz VVLYSVGJKWQWMK-JTQLQIEISA-N 2 1 256.350 -1.125 20 0 CAADMP CNC(=O)C[N@H+]1CC[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001269061992 775487935 /nfs/dbraw/zinc/48/79/35/775487935.db2.gz VVLYSVGJKWQWMK-JTQLQIEISA-N 2 1 256.350 -1.125 20 0 CAADMP C[N@@H+]1CCC2(CN(C(=O)C[NH+](CCO)CCO)C2)C1 ZINC001269094794 775489743 /nfs/dbraw/zinc/48/97/43/775489743.db2.gz KJFGXDKMDFKQCS-UHFFFAOYSA-N 2 1 271.361 -1.563 20 0 CAADMP C[N@H+]1CCC2(CN(C(=O)C[NH+](CCO)CCO)C2)C1 ZINC001269094794 775489746 /nfs/dbraw/zinc/48/97/46/775489746.db2.gz KJFGXDKMDFKQCS-UHFFFAOYSA-N 2 1 271.361 -1.563 20 0 CAADMP C[N@@H+](CCO)CCNC(=O)[C@@]1(C)C[C@H](O)C[NH+]1C ZINC000925004303 775522105 /nfs/dbraw/zinc/52/21/05/775522105.db2.gz VZFIHTAKKJYDJN-CMPLNLGQSA-N 2 1 259.350 -1.518 20 0 CAADMP C[NH+](CCO)CCNC(=O)[C@@]1(C)C[C@H](O)C[N@@H+]1C ZINC000925004303 775522111 /nfs/dbraw/zinc/52/21/11/775522111.db2.gz VZFIHTAKKJYDJN-CMPLNLGQSA-N 2 1 259.350 -1.518 20 0 CAADMP C[NH+](CCO)CCNC(=O)[C@@]1(C)C[C@H](O)C[N@H+]1C ZINC000925004303 775522120 /nfs/dbraw/zinc/52/21/20/775522120.db2.gz VZFIHTAKKJYDJN-CMPLNLGQSA-N 2 1 259.350 -1.518 20 0 CAADMP O=C(Cc1cnc[nH]1)NC[C@]1(O)CC[N@@H+](CCO)C1 ZINC001271191411 775592388 /nfs/dbraw/zinc/59/23/88/775592388.db2.gz DWEORJMNYNBUIN-GFCCVEGCSA-N 2 1 268.317 -1.503 20 0 CAADMP O=C(Cc1cnc[nH]1)NC[C@]1(O)CC[N@H+](CCO)C1 ZINC001271191411 775592398 /nfs/dbraw/zinc/59/23/98/775592398.db2.gz DWEORJMNYNBUIN-GFCCVEGCSA-N 2 1 268.317 -1.503 20 0 CAADMP C[NH+](C)CCN1C[C@H]2C[C@@H](C1)N2C(=O)[C@@H]1C[C@H](O)C[N@H+]1C ZINC001272273699 775636990 /nfs/dbraw/zinc/63/69/90/775636990.db2.gz WOPZHDDBYSPEQD-CRWXNKLISA-N 2 1 296.415 -1.102 20 0 CAADMP C[NH+](C)C1CCC(N2CN[C@H]([NH3+])[C@H]3NCN[C@@H]32)CC1 ZINC001168312389 775686678 /nfs/dbraw/zinc/68/66/78/775686678.db2.gz UKIKCTGKTKSCGO-UDSBESMDSA-N 2 1 268.409 -1.148 20 0 CAADMP C[NH+](C)C1CCC(N2CN[C@H]([NH3+])[C@H]3NCN[C@H]32)CC1 ZINC001168312387 775687381 /nfs/dbraw/zinc/68/73/81/775687381.db2.gz UKIKCTGKTKSCGO-JCXRDGCHSA-N 2 1 268.409 -1.148 20 0 CAADMP C[NH+](C)C1CCC(N2CN[C@H]([NH3+])[C@@H]3NCN[C@H]32)CC1 ZINC001168312386 775687679 /nfs/dbraw/zinc/68/76/79/775687679.db2.gz UKIKCTGKTKSCGO-HWIRSSMVSA-N 2 1 268.409 -1.148 20 0 CAADMP O=C(N[C@@H]1C[N@@H+](CCCO)C[C@@H]1O)[C@@H]1C[NH+]2CCC1CC2 ZINC001083466176 775690176 /nfs/dbraw/zinc/69/01/76/775690176.db2.gz JSVHBETZCZRURG-MCIONIFRSA-N 2 1 297.399 -1.128 20 0 CAADMP Cc1c[nH+]cn1CC(=O)N(CCO)CC[NH2+]CCO ZINC001272213510 775691256 /nfs/dbraw/zinc/69/12/56/775691256.db2.gz MBIJTOMDVRISDE-UHFFFAOYSA-N 2 1 270.333 -1.406 20 0 CAADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](CCO)C[C@@H]2O)CC[N@H+]1C ZINC001083474793 775696402 /nfs/dbraw/zinc/69/64/02/775696402.db2.gz ALWRERRDWJLAIN-LOWDOPEQSA-N 2 1 285.388 -1.130 20 0 CAADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@H+](CCO)C[C@@H]2O)CC[NH+]1C ZINC001083474793 775696410 /nfs/dbraw/zinc/69/64/10/775696410.db2.gz ALWRERRDWJLAIN-LOWDOPEQSA-N 2 1 285.388 -1.130 20 0 CAADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@@H+](CCO)C[C@@H]2O)CC[NH+]1C ZINC001083474793 775696418 /nfs/dbraw/zinc/69/64/18/775696418.db2.gz ALWRERRDWJLAIN-LOWDOPEQSA-N 2 1 285.388 -1.130 20 0 CAADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[NH+](CCCO)C[C@@H]2O)CC[N@H+]1C ZINC001083472270 775697354 /nfs/dbraw/zinc/69/73/54/775697354.db2.gz OUBPLNZZQHDAGF-LPWJVIDDSA-N 2 1 285.388 -1.130 20 0 CAADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[N@H+](CCCO)C[C@@H]2O)CC[NH+]1C ZINC001083472270 775697358 /nfs/dbraw/zinc/69/73/58/775697358.db2.gz OUBPLNZZQHDAGF-LPWJVIDDSA-N 2 1 285.388 -1.130 20 0 CAADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[N@@H+](CCCO)C[C@@H]2O)CC[NH+]1C ZINC001083472270 775697360 /nfs/dbraw/zinc/69/73/60/775697360.db2.gz OUBPLNZZQHDAGF-LPWJVIDDSA-N 2 1 285.388 -1.130 20 0 CAADMP N[C@@H]1NCN(C(=O)[C@@H]2CC3CCN2CC3)[C@H]2NCN[C@@H]21 ZINC001142638201 775711314 /nfs/dbraw/zinc/71/13/14/775711314.db2.gz WRQUCBHNYVSDSK-IRCOFANPSA-N 2 1 280.376 -2.010 20 0 CAADMP O=C(N[C@@H]1C[N@@H+](CCCO)C[C@H]1O)[C@H]1C[NH+]2CCC1CC2 ZINC001077002858 775788002 /nfs/dbraw/zinc/78/80/02/775788002.db2.gz JSVHBETZCZRURG-BFHYXJOUSA-N 2 1 297.399 -1.128 20 0 CAADMP [NH3+][C@@H]1NCN(C2CC[NH+](CC3CC3)CC2)[C@@H]2NCN[C@@H]21 ZINC001168368882 775818103 /nfs/dbraw/zinc/81/81/03/775818103.db2.gz RQCXKVWXNLVKPW-MCIONIFRSA-N 2 1 280.420 -1.147 20 0 CAADMP Cc1cncn1CC(=O)N[C@@H]1C[N@@H+](C[C@@H](C)O)C[C@@H]1O ZINC001083645402 775841961 /nfs/dbraw/zinc/84/19/61/775841961.db2.gz ZBYDLNJEUWQYQJ-UTUOFQBUSA-N 2 1 282.344 -1.266 20 0 CAADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@H+](C[C@@H](C)O)C[C@@H]1O ZINC001083645402 775841965 /nfs/dbraw/zinc/84/19/65/775841965.db2.gz ZBYDLNJEUWQYQJ-UTUOFQBUSA-N 2 1 282.344 -1.266 20 0 CAADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@@H+](C[C@@H](C)O)C[C@@H]1O ZINC001083645402 775841973 /nfs/dbraw/zinc/84/19/73/775841973.db2.gz ZBYDLNJEUWQYQJ-UTUOFQBUSA-N 2 1 282.344 -1.266 20 0 CAADMP Cc1cncn1CC(=O)N[C@@H]1C[N@@H+](CCCO)C[C@@H]1O ZINC001083644933 775842406 /nfs/dbraw/zinc/84/24/06/775842406.db2.gz CQKCWQZGMZUYFN-NEPJUHHUSA-N 2 1 282.344 -1.265 20 0 CAADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@@H+](CCCO)C[C@@H]1O ZINC001083644933 775842419 /nfs/dbraw/zinc/84/24/19/775842419.db2.gz CQKCWQZGMZUYFN-NEPJUHHUSA-N 2 1 282.344 -1.265 20 0 CAADMP O=C(CC[NH+]1CCOCC1)NCCC[NH2+][C@@H]1CCNC1=O ZINC001168416878 775881134 /nfs/dbraw/zinc/88/11/34/775881134.db2.gz GKTYYSODBHUSQI-GFCCVEGCSA-N 2 1 298.387 -1.307 20 0 CAADMP C[NH+]1CCN(C(=O)[C@@H]2CC(=O)N(C3C[NH2+]C3)C2)CC1 ZINC001121930782 775919706 /nfs/dbraw/zinc/91/97/06/775919706.db2.gz STJGSGUQUVDVID-SNVBAGLBSA-N 2 1 266.345 -1.419 20 0 CAADMP CC[NH2+]C[C@@H](O)CNC(=O)CC[NH+]1CCOCC1 ZINC001272546608 775932747 /nfs/dbraw/zinc/93/27/47/775932747.db2.gz UDTUSPJVWYLGQJ-LLVKDONJSA-N 2 1 259.350 -1.205 20 0 CAADMP C[N@H+]1CC[C@@H](CC(=O)NC[C@H](O)C[NH2+]CCO)C1 ZINC001272559186 775933776 /nfs/dbraw/zinc/93/37/76/775933776.db2.gz GXNHWPQAXAZTKW-WDEREUQCSA-N 2 1 259.350 -1.613 20 0 CAADMP C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)NC[C@@H]1COCC[NH2+]1 ZINC001122090080 775934540 /nfs/dbraw/zinc/93/45/40/775934540.db2.gz RGWAJRDEUNGLLF-IJLUTSLNSA-N 2 1 268.361 -1.521 20 0 CAADMP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@@H](O)C[NH2+]CCO ZINC001272582598 775946222 /nfs/dbraw/zinc/94/62/22/775946222.db2.gz AWBZYATVYPWQNL-RYUDHWBXSA-N 2 1 273.377 -1.080 20 0 CAADMP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@H](O)C[NH2+]CCO ZINC001272582595 775947003 /nfs/dbraw/zinc/94/70/03/775947003.db2.gz AWBZYATVYPWQNL-NEPJUHHUSA-N 2 1 273.377 -1.080 20 0 CAADMP COC(=O)[C@H](C)C[NH+]1CCNCC[NH2+]CCNCC1 ZINC001235869028 775967851 /nfs/dbraw/zinc/96/78/51/775967851.db2.gz IKGALSJNUOXOJL-GFCCVEGCSA-N 2 1 272.393 -1.120 20 0 CAADMP C[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001083749580 775975394 /nfs/dbraw/zinc/97/53/94/775975394.db2.gz HICHZHIGCMDIEC-RTXFEEFZSA-N 2 1 285.388 -1.130 20 0 CAADMP C[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CCO)C[C@@H]2O)CC1 ZINC001083750047 775975469 /nfs/dbraw/zinc/97/54/69/775975469.db2.gz DBAZRNNSAZQCEU-NEPJUHHUSA-N 2 1 271.361 -1.518 20 0 CAADMP CN(C(=O)[C@@H]1C[NH+]2CCC1CC2)[C@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001047384300 776002682 /nfs/dbraw/zinc/00/26/82/776002682.db2.gz VQIBUSBCEFSUOD-RDBSUJKOSA-N 2 1 297.399 -1.176 20 0 CAADMP C[C@H]([NH2+]CCNC(=O)[C@@H]1C[N@@H+](C)CCO1)C(N)=O ZINC001125203332 776027982 /nfs/dbraw/zinc/02/79/82/776027982.db2.gz LNVBMTDEYWZUDP-IUCAKERBSA-N 2 1 258.322 -2.103 20 0 CAADMP CN(C)C(=O)C[NH2+]CCNC(=O)[C@H]1CCC[N@H+]1C ZINC001124873043 776015274 /nfs/dbraw/zinc/01/52/74/776015274.db2.gz RRTWWHAATCFZRB-SNVBAGLBSA-N 2 1 256.350 -1.125 20 0 CAADMP C[N@H+]1CCC[C@@H]1C(=O)NCC[NH2+][C@@H]1CCNC1=O ZINC001124872820 776016001 /nfs/dbraw/zinc/01/60/01/776016001.db2.gz NMLVVOZEDVKIOX-NXEZZACHSA-N 2 1 254.334 -1.325 20 0 CAADMP CNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001124873029 776016537 /nfs/dbraw/zinc/01/65/37/776016537.db2.gz RMLUSPRKDARWJM-VIFPVBQESA-N 2 1 285.348 -1.758 20 0 CAADMP C[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]CCN1C(=O)CNC1=O ZINC001124879585 776016549 /nfs/dbraw/zinc/01/65/49/776016549.db2.gz WVPNGNOGNRPHNQ-JTQLQIEISA-N 2 1 297.359 -1.662 20 0 CAADMP C[N@H+]1CCC[C@H]1C(=O)NCC[NH2+][C@@H]1CCNC1=O ZINC001124872827 776016675 /nfs/dbraw/zinc/01/66/75/776016675.db2.gz NMLVVOZEDVKIOX-ZJUUUORDSA-N 2 1 254.334 -1.325 20 0 CAADMP C[C@@H]([NH2+]CCNC(=O)[C@@H]1C[N@H+](C)CCO1)C(N)=O ZINC001125203330 776027477 /nfs/dbraw/zinc/02/74/77/776027477.db2.gz LNVBMTDEYWZUDP-BDAKNGLRSA-N 2 1 258.322 -2.103 20 0 CAADMP C[C@@H]([NH2+]CCNC(=O)[C@@H]1C[N@@H+](C)CCO1)C(N)=O ZINC001125203330 776027485 /nfs/dbraw/zinc/02/74/85/776027485.db2.gz LNVBMTDEYWZUDP-BDAKNGLRSA-N 2 1 258.322 -2.103 20 0 CAADMP C[C@H]([NH2+]CCNC(=O)[C@@H]1C[N@H+](C)CCO1)C(N)=O ZINC001125203332 776027974 /nfs/dbraw/zinc/02/79/74/776027974.db2.gz LNVBMTDEYWZUDP-IUCAKERBSA-N 2 1 258.322 -2.103 20 0 CAADMP C[C@H]([NH2+]CCNC(=O)[C@H]1C[N@H+](C)CCO1)C(N)=O ZINC001125203331 776028358 /nfs/dbraw/zinc/02/83/58/776028358.db2.gz LNVBMTDEYWZUDP-DTWKUNHWSA-N 2 1 258.322 -2.103 20 0 CAADMP C[C@H]([NH2+]CCNC(=O)[C@H]1C[N@@H+](C)CCO1)C(N)=O ZINC001125203331 776028370 /nfs/dbraw/zinc/02/83/70/776028370.db2.gz LNVBMTDEYWZUDP-DTWKUNHWSA-N 2 1 258.322 -2.103 20 0 CAADMP CN1CCC[C@@H]([NH2+]CCNC(=O)[C@@H]2C[N@H+](C)CCO2)C1=O ZINC001125220156 776029250 /nfs/dbraw/zinc/02/92/50/776029250.db2.gz CZRMKZJLHDFUDL-NEPJUHHUSA-N 2 1 298.387 -1.356 20 0 CAADMP CN1CCC[C@@H]([NH2+]CCNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1=O ZINC001125220156 776029256 /nfs/dbraw/zinc/02/92/56/776029256.db2.gz CZRMKZJLHDFUDL-NEPJUHHUSA-N 2 1 298.387 -1.356 20 0 CAADMP C[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001125223324 776029311 /nfs/dbraw/zinc/02/93/11/776029311.db2.gz ZXGCTJXOKXYTIY-VHSXEESVSA-N 2 1 298.343 -2.172 20 0 CAADMP C[N@H+]1CCO[C@@H](C(=O)NCC[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001125223324 776029317 /nfs/dbraw/zinc/02/93/17/776029317.db2.gz ZXGCTJXOKXYTIY-VHSXEESVSA-N 2 1 298.343 -2.172 20 0 CAADMP C[N@@H+]1CCO[C@H](C(=O)NCC[NH2+]CC(=O)NC2CC2)C1 ZINC001125221747 776030011 /nfs/dbraw/zinc/03/00/11/776030011.db2.gz TVSZOJQJJPTSRM-NSHDSACASA-N 2 1 284.360 -1.699 20 0 CAADMP C[N@H+]1CCO[C@H](C(=O)NCC[NH2+]CC(=O)NC2CC2)C1 ZINC001125221747 776030017 /nfs/dbraw/zinc/03/00/17/776030017.db2.gz TVSZOJQJJPTSRM-NSHDSACASA-N 2 1 284.360 -1.699 20 0 CAADMP C[N@@H+]1CCO[C@H](C(=O)NCC[NH2+][C@H]2CCNC2=O)C1 ZINC001125221245 776030068 /nfs/dbraw/zinc/03/00/68/776030068.db2.gz OPQHTTANRCIRIY-UWVGGRQHSA-N 2 1 270.333 -2.089 20 0 CAADMP C[N@H+]1CCO[C@H](C(=O)NCC[NH2+][C@H]2CCNC2=O)C1 ZINC001125221245 776030077 /nfs/dbraw/zinc/03/00/77/776030077.db2.gz OPQHTTANRCIRIY-UWVGGRQHSA-N 2 1 270.333 -2.089 20 0 CAADMP CN1CCC[C@@H]([NH2+]CCNC(=O)[C@H]2C[N@H+](C)CCO2)C1=O ZINC001125220159 776030546 /nfs/dbraw/zinc/03/05/46/776030546.db2.gz CZRMKZJLHDFUDL-VXGBXAGGSA-N 2 1 298.387 -1.356 20 0 CAADMP CN1CCC[C@@H]([NH2+]CCNC(=O)[C@H]2C[N@@H+](C)CCO2)C1=O ZINC001125220159 776030552 /nfs/dbraw/zinc/03/05/52/776030552.db2.gz CZRMKZJLHDFUDL-VXGBXAGGSA-N 2 1 298.387 -1.356 20 0 CAADMP C[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+][C@@H]2CCCNC2=O)C1 ZINC001125222408 776030633 /nfs/dbraw/zinc/03/06/33/776030633.db2.gz VUASVTAQVYKALX-GHMZBOCLSA-N 2 1 284.360 -1.699 20 0 CAADMP C[N@H+]1CCO[C@@H](C(=O)NCC[NH2+][C@@H]2CCCNC2=O)C1 ZINC001125222408 776030639 /nfs/dbraw/zinc/03/06/39/776030639.db2.gz VUASVTAQVYKALX-GHMZBOCLSA-N 2 1 284.360 -1.699 20 0 CAADMP C[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+]CCNC(=O)C2CC2)C1 ZINC001125221369 776030661 /nfs/dbraw/zinc/03/06/61/776030661.db2.gz PKOUBFLMRYITBY-GFCCVEGCSA-N 2 1 298.387 -1.451 20 0 CAADMP C[N@H+]1CCO[C@@H](C(=O)NCC[NH2+]CCNC(=O)C2CC2)C1 ZINC001125221369 776030667 /nfs/dbraw/zinc/03/06/67/776030667.db2.gz PKOUBFLMRYITBY-GFCCVEGCSA-N 2 1 298.387 -1.451 20 0 CAADMP CC[C@@H]([NH2+]CCNC(=O)[C@H]1C[N@H+](C)CCO1)C(N)=O ZINC001125221665 776031190 /nfs/dbraw/zinc/03/11/90/776031190.db2.gz RWVOGHNVMWVOLN-NXEZZACHSA-N 2 1 272.349 -1.713 20 0 CAADMP CC[C@@H]([NH2+]CCNC(=O)[C@H]1C[N@@H+](C)CCO1)C(N)=O ZINC001125221665 776031198 /nfs/dbraw/zinc/03/11/98/776031198.db2.gz RWVOGHNVMWVOLN-NXEZZACHSA-N 2 1 272.349 -1.713 20 0 CAADMP C[C@@H](O)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C23CC[NH+](CC2)C3)C1 ZINC001047599010 776036624 /nfs/dbraw/zinc/03/66/24/776036624.db2.gz YYPIRFGOQPNEKV-AGIUHOORSA-N 2 1 297.399 -1.034 20 0 CAADMP CN(C(=O)[C@H]1CC[NH+](C)C1)[C@H]1C[N@@H+](CCCO)C[C@@H]1O ZINC001047628832 776037867 /nfs/dbraw/zinc/03/78/67/776037867.db2.gz LHVHMYRILZHTJO-AVGNSLFASA-N 2 1 285.388 -1.176 20 0 CAADMP CN(C(=O)[C@H]1CC[N@H+](C)C1)[C@H]1C[NH+](CCCO)C[C@@H]1O ZINC001047628832 776037873 /nfs/dbraw/zinc/03/78/73/776037873.db2.gz LHVHMYRILZHTJO-AVGNSLFASA-N 2 1 285.388 -1.176 20 0 CAADMP CN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@H]1C[NH+](CCCO)C[C@@H]1O ZINC001047628832 776037880 /nfs/dbraw/zinc/03/78/80/776037880.db2.gz LHVHMYRILZHTJO-AVGNSLFASA-N 2 1 285.388 -1.176 20 0 CAADMP CN(C)C(=O)C[NH2+]CCNC(=O)[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001127779578 776040050 /nfs/dbraw/zinc/04/00/50/776040050.db2.gz OHBYDTDWVCGDRA-NWDGAFQWSA-N 2 1 298.387 -1.356 20 0 CAADMP CNC(=O)C[NH2+]CCNC(=O)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001127778430 776040183 /nfs/dbraw/zinc/04/01/83/776040183.db2.gz DUISSKIRMREXKI-MNOVXSKESA-N 2 1 284.360 -1.699 20 0 CAADMP CCNC(=O)C[NH2+]CCNC(=O)[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001127777710 776040224 /nfs/dbraw/zinc/04/02/24/776040224.db2.gz BGLGEZODZYYVJU-NWDGAFQWSA-N 2 1 298.387 -1.309 20 0 CAADMP CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001127777706 776040683 /nfs/dbraw/zinc/04/06/83/776040683.db2.gz BGLGEZODZYYVJU-NEPJUHHUSA-N 2 1 298.387 -1.309 20 0 CAADMP NC(=O)C[NH2+]CCNC(=O)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001127777755 776040999 /nfs/dbraw/zinc/04/09/99/776040999.db2.gz BNMWKLJPCVZCMB-ZJUUUORDSA-N 2 1 270.333 -1.959 20 0 CAADMP O=C(NCC[NH2+]CCCO)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001127760623 776041147 /nfs/dbraw/zinc/04/11/47/776041147.db2.gz NXRCFYCWRLAYGT-VXGBXAGGSA-N 2 1 271.361 -1.062 20 0 CAADMP CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001127777712 776041668 /nfs/dbraw/zinc/04/16/68/776041668.db2.gz BGLGEZODZYYVJU-RYUDHWBXSA-N 2 1 298.387 -1.309 20 0 CAADMP NC(=O)C[NH2+]CCNC(=O)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001127777749 776041804 /nfs/dbraw/zinc/04/18/04/776041804.db2.gz BNMWKLJPCVZCMB-NXEZZACHSA-N 2 1 270.333 -1.959 20 0 CAADMP C[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CCCO)C[C@H]2O)CC1 ZINC001077618217 776048847 /nfs/dbraw/zinc/04/88/47/776048847.db2.gz BQKNABHEUKKTBU-CHWSQXEVSA-N 2 1 285.388 -1.128 20 0 CAADMP C[C@H]1CC[N@H+](CC(=O)N[C@@H]2C[NH+](CCO)C[C@H]2O)C1 ZINC001077679542 776058936 /nfs/dbraw/zinc/05/89/36/776058936.db2.gz UXVBBLAPFOVKKP-QJPTWQEYSA-N 2 1 271.361 -1.518 20 0 CAADMP C[C@H]1CC[N@@H+](CC(=O)N[C@@H]2C[NH+](CCO)C[C@H]2O)C1 ZINC001077679542 776058937 /nfs/dbraw/zinc/05/89/37/776058937.db2.gz UXVBBLAPFOVKKP-QJPTWQEYSA-N 2 1 271.361 -1.518 20 0 CAADMP C[C@H]1CC[NH+](CC(=O)N[C@@H]2C[N@H+](CCO)C[C@H]2O)C1 ZINC001077679542 776058942 /nfs/dbraw/zinc/05/89/42/776058942.db2.gz UXVBBLAPFOVKKP-QJPTWQEYSA-N 2 1 271.361 -1.518 20 0 CAADMP C[C@H]1CC[NH+](CC(=O)N[C@@H]2C[N@@H+](CCO)C[C@H]2O)C1 ZINC001077679542 776058946 /nfs/dbraw/zinc/05/89/46/776058946.db2.gz UXVBBLAPFOVKKP-QJPTWQEYSA-N 2 1 271.361 -1.518 20 0 CAADMP O=C(N[C@@H]1C[N@@H+](CCCO)C[C@H]1O)C12CC[NH+](CC1)C2 ZINC001078011709 776111717 /nfs/dbraw/zinc/11/17/17/776111717.db2.gz CRMHSHCGYWMXPV-VXGBXAGGSA-N 2 1 283.372 -1.374 20 0 CAADMP C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2C[NH+](CCO)C[C@H]2O)C1 ZINC001078007728 776111936 /nfs/dbraw/zinc/11/19/36/776111936.db2.gz YFCJJEMXLOMOFM-QJPTWQEYSA-N 2 1 271.361 -1.518 20 0 CAADMP C[NH+]1CC[C@@H](CC(=O)N[C@@H]2C[N@H+](CCO)C[C@H]2O)C1 ZINC001078007728 776111939 /nfs/dbraw/zinc/11/19/39/776111939.db2.gz YFCJJEMXLOMOFM-QJPTWQEYSA-N 2 1 271.361 -1.518 20 0 CAADMP C[NH+]1CC[C@@H](CC(=O)N[C@@H]2C[N@@H+](CCO)C[C@H]2O)C1 ZINC001078007728 776111948 /nfs/dbraw/zinc/11/19/48/776111948.db2.gz YFCJJEMXLOMOFM-QJPTWQEYSA-N 2 1 271.361 -1.518 20 0 CAADMP Cc1nc[nH]c1CC(=O)N[C@@H]1CN(CCO)C[C@H]1O ZINC001078083636 776116193 /nfs/dbraw/zinc/11/61/93/776116193.db2.gz YVVLDBDDMHZGOL-GHMZBOCLSA-N 2 1 268.317 -1.586 20 0 CAADMP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](CCCO)C[C@H]2O)C1 ZINC001078176029 776128693 /nfs/dbraw/zinc/12/86/93/776128693.db2.gz XFQBXGUZHFHGMA-IJLUTSLNSA-N 2 1 271.361 -1.518 20 0 CAADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@H+](CCCO)C[C@H]2O)C1 ZINC001078176029 776128696 /nfs/dbraw/zinc/12/86/96/776128696.db2.gz XFQBXGUZHFHGMA-IJLUTSLNSA-N 2 1 271.361 -1.518 20 0 CAADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@@H+](CCCO)C[C@H]2O)C1 ZINC001078176029 776128699 /nfs/dbraw/zinc/12/86/99/776128699.db2.gz XFQBXGUZHFHGMA-IJLUTSLNSA-N 2 1 271.361 -1.518 20 0 CAADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@H+](CCCO)C[C@H]1O ZINC001078182290 776133174 /nfs/dbraw/zinc/13/31/74/776133174.db2.gz OJXADSHCJSDOMR-VXGBXAGGSA-N 2 1 282.344 -1.265 20 0 CAADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@@H+](CCCO)C[C@H]1O ZINC001078182290 776133179 /nfs/dbraw/zinc/13/31/79/776133179.db2.gz OJXADSHCJSDOMR-VXGBXAGGSA-N 2 1 282.344 -1.265 20 0 CAADMP C[NH+](C)CCN1C[C@H]2C[C@@H](C1)N2C(=O)C[N@H+]1CC[C@@H](O)C1 ZINC001273069573 776188192 /nfs/dbraw/zinc/18/81/92/776188192.db2.gz KHQSRFBXMKVROB-HZSPNIEDSA-N 2 1 296.415 -1.100 20 0 CAADMP C[NH+](C)CCN1CC2(C1)CN(C(=O)C[N@H+]1CC[C@@H](O)C1)C2 ZINC001273068593 776188342 /nfs/dbraw/zinc/18/83/42/776188342.db2.gz AHJOQRADVVOSHR-CYBMUJFWSA-N 2 1 296.415 -1.241 20 0 CAADMP C[NH+](C)CCN1CC2(C1)CN(C(=O)C[N@H+]1CC[C@H](O)C1)C2 ZINC001273068596 776188372 /nfs/dbraw/zinc/18/83/72/776188372.db2.gz AHJOQRADVVOSHR-ZDUSSCGKSA-N 2 1 296.415 -1.241 20 0 CAADMP CN(CC[N@H+](C)CCO)C(=O)[C@H]1C[NH+](C)CCO1 ZINC000823625360 776253774 /nfs/dbraw/zinc/25/37/74/776253774.db2.gz RHDSYNWPPIXNHK-LLVKDONJSA-N 2 1 259.350 -1.301 20 0 CAADMP CN(CC[N@@H+](C)CCO)C(=O)[C@H]1C[NH+](C)CCO1 ZINC000823625360 776253777 /nfs/dbraw/zinc/25/37/77/776253777.db2.gz RHDSYNWPPIXNHK-LLVKDONJSA-N 2 1 259.350 -1.301 20 0 CAADMP CN(CC[NH+](C)CCO)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC000823625360 776253782 /nfs/dbraw/zinc/25/37/82/776253782.db2.gz RHDSYNWPPIXNHK-LLVKDONJSA-N 2 1 259.350 -1.301 20 0 CAADMP CN(CC[NH+](C)CCO)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000823625360 776253786 /nfs/dbraw/zinc/25/37/86/776253786.db2.gz RHDSYNWPPIXNHK-LLVKDONJSA-N 2 1 259.350 -1.301 20 0 CAADMP C[NH+]1CCN(c2cc(N(CC[NH3+])CCO)ncn2)CC1 ZINC001163829946 776303866 /nfs/dbraw/zinc/30/38/66/776303866.db2.gz KQQPSVOKSXEFMG-UHFFFAOYSA-N 2 1 280.376 -1.014 20 0 CAADMP CO[C@@H]1C[N@@H+](CCO)C[C@H]1NC(=O)[C@H]1CC[NH+](C)C1 ZINC001082370265 776412538 /nfs/dbraw/zinc/41/25/38/776412538.db2.gz ZLYCFZZBUSNERA-QJPTWQEYSA-N 2 1 271.361 -1.254 20 0 CAADMP CO[C@@H]1C[NH+](CCO)C[C@H]1NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001082370265 776412541 /nfs/dbraw/zinc/41/25/41/776412541.db2.gz ZLYCFZZBUSNERA-QJPTWQEYSA-N 2 1 271.361 -1.254 20 0 CAADMP CO[C@@H]1C[NH+](CCO)C[C@H]1NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001082370265 776412545 /nfs/dbraw/zinc/41/25/45/776412545.db2.gz ZLYCFZZBUSNERA-QJPTWQEYSA-N 2 1 271.361 -1.254 20 0 CAADMP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1[NH2+]CCO ZINC001082459191 776415489 /nfs/dbraw/zinc/41/54/89/776415489.db2.gz QNPVXOXDNKPEFK-IJLUTSLNSA-N 2 1 271.361 -1.254 20 0 CAADMP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1[NH2+]CCO ZINC001082459191 776415492 /nfs/dbraw/zinc/41/54/92/776415492.db2.gz QNPVXOXDNKPEFK-IJLUTSLNSA-N 2 1 271.361 -1.254 20 0 CAADMP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1[NH2+]CC(N)=O ZINC001082458158 776415710 /nfs/dbraw/zinc/41/57/10/776415710.db2.gz AFXYYPSGMJJKBT-GMTAPVOTSA-N 2 1 284.360 -1.761 20 0 CAADMP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1[NH2+]CC(N)=O ZINC001082458158 776415713 /nfs/dbraw/zinc/41/57/13/776415713.db2.gz AFXYYPSGMJJKBT-GMTAPVOTSA-N 2 1 284.360 -1.761 20 0 CAADMP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1[NH2+]CC(N)=O ZINC001082590102 776418757 /nfs/dbraw/zinc/41/87/57/776418757.db2.gz CDXBEUXPVQPYLQ-DDHJBXDOSA-N 2 1 298.387 -1.373 20 0 CAADMP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1[NH2+]CC(N)=O ZINC001082590102 776418762 /nfs/dbraw/zinc/41/87/62/776418762.db2.gz CDXBEUXPVQPYLQ-DDHJBXDOSA-N 2 1 298.387 -1.373 20 0 CAADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@@H+](CCCO)C[C@@H]2O)C1 ZINC001084054124 776443834 /nfs/dbraw/zinc/44/38/34/776443834.db2.gz XFQBXGUZHFHGMA-UTUOFQBUSA-N 2 1 271.361 -1.518 20 0 CAADMP COCC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)[C@@H](O)C1 ZINC001084053979 776443888 /nfs/dbraw/zinc/44/38/88/776443888.db2.gz RPRIWQKOFJXSQP-TUAOUCFPSA-N 2 1 271.361 -1.254 20 0 CAADMP CN(C)C(=O)CN1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)[C@@H](O)C1 ZINC001084053166 776444269 /nfs/dbraw/zinc/44/42/69/776444269.db2.gz UVRYWYBDYCLKMJ-UTUOFQBUSA-N 2 1 298.387 -1.812 20 0 CAADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@@H+](CCO)C[C@@H]2O)C1 ZINC001084053940 776444497 /nfs/dbraw/zinc/44/44/97/776444497.db2.gz PWIQIMUIDGTCTL-MXWKQRLJSA-N 2 1 257.334 -1.908 20 0 CAADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@H+](CCCO)C[C@@H]1O ZINC001084060240 776445543 /nfs/dbraw/zinc/44/55/43/776445543.db2.gz OJXADSHCJSDOMR-NEPJUHHUSA-N 2 1 282.344 -1.265 20 0 CAADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@@H+](CCCO)C[C@@H]1O ZINC001084060240 776445545 /nfs/dbraw/zinc/44/55/45/776445545.db2.gz OJXADSHCJSDOMR-NEPJUHHUSA-N 2 1 282.344 -1.265 20 0 CAADMP NC(=O)[C@H]1CN(c2ncc3c(n2)CC[NH2+]C3)CC[NH2+]1 ZINC001166723720 776453171 /nfs/dbraw/zinc/45/31/71/776453171.db2.gz JFFIAUVOOYPKER-SNVBAGLBSA-N 2 1 262.317 -1.614 20 0 CAADMP C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(N)=O)C1 ZINC001085159290 776468612 /nfs/dbraw/zinc/46/86/12/776468612.db2.gz ODMNSTWKPWDUME-UTUOFQBUSA-N 2 1 298.387 -1.181 20 0 CAADMP C[N@H+]1CCO[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(N)=O)C1 ZINC001085159290 776468615 /nfs/dbraw/zinc/46/86/15/776468615.db2.gz ODMNSTWKPWDUME-UTUOFQBUSA-N 2 1 298.387 -1.181 20 0 CAADMP CN(C[C@H]1CC[N@H+]1CCO)C(=O)[C@@H]1CN(C)CCO1 ZINC001085531592 776487245 /nfs/dbraw/zinc/48/72/45/776487245.db2.gz WBPVNJSGVLUGAO-NEPJUHHUSA-N 2 1 271.361 -1.158 20 0 CAADMP C[C@@H]([NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2C[N@H+](C)CCO2)C1)C(N)=O ZINC001086051807 776498266 /nfs/dbraw/zinc/49/82/66/776498266.db2.gz LMCMBVANVWYNGD-WISYIIOYSA-N 2 1 298.387 -1.325 20 0 CAADMP C[C@@H]([NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1)C(N)=O ZINC001086051807 776498271 /nfs/dbraw/zinc/49/82/71/776498271.db2.gz LMCMBVANVWYNGD-WISYIIOYSA-N 2 1 298.387 -1.325 20 0 CAADMP C[N@@H+]1CCO[C@H](C(=O)NC[C@H]2C[C@@H]([NH2+]CCO)C2)C1 ZINC001086052546 776498864 /nfs/dbraw/zinc/49/88/64/776498864.db2.gz NJLSKCHVPPGFGT-TUAOUCFPSA-N 2 1 271.361 -1.206 20 0 CAADMP C[N@H+]1CCO[C@H](C(=O)NC[C@H]2C[C@@H]([NH2+]CCO)C2)C1 ZINC001086052546 776498867 /nfs/dbraw/zinc/49/88/67/776498867.db2.gz NJLSKCHVPPGFGT-TUAOUCFPSA-N 2 1 271.361 -1.206 20 0 CAADMP C[C@H]([NH2+][C@H]1C[C@H](CNC(=O)[C@H]2C[N@H+](C)CCO2)C1)C(N)=O ZINC001086331930 776506438 /nfs/dbraw/zinc/50/64/38/776506438.db2.gz LMCMBVANVWYNGD-FIQHERPVSA-N 2 1 298.387 -1.325 20 0 CAADMP C[C@H]([NH2+][C@H]1C[C@H](CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1)C(N)=O ZINC001086331930 776506441 /nfs/dbraw/zinc/50/64/41/776506441.db2.gz LMCMBVANVWYNGD-FIQHERPVSA-N 2 1 298.387 -1.325 20 0 CAADMP C[N@@H+]1CCO[C@H](C(=O)NCCC[NH2+][C@@H]2CCNC2=O)C1 ZINC001156146363 776513214 /nfs/dbraw/zinc/51/32/14/776513214.db2.gz WZAHBDFGSLQHNP-MNOVXSKESA-N 2 1 284.360 -1.699 20 0 CAADMP C[N@H+]1CCO[C@H](C(=O)NCCC[NH2+][C@@H]2CCNC2=O)C1 ZINC001156146363 776513216 /nfs/dbraw/zinc/51/32/16/776513216.db2.gz WZAHBDFGSLQHNP-MNOVXSKESA-N 2 1 284.360 -1.699 20 0 CAADMP CNC(=O)C[NH2+]CCCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001156145211 776513545 /nfs/dbraw/zinc/51/35/45/776513545.db2.gz KBWPLYDHWIYECE-SNVBAGLBSA-N 2 1 272.349 -1.841 20 0 CAADMP CNC(=O)C[NH2+]CCCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001156145211 776513550 /nfs/dbraw/zinc/51/35/50/776513550.db2.gz KBWPLYDHWIYECE-SNVBAGLBSA-N 2 1 272.349 -1.841 20 0 CAADMP C[N@@H+]1CCO[C@H](C(=O)NCCC[NH2+]CC(=O)NC2CC2)C1 ZINC001156144194 776513948 /nfs/dbraw/zinc/51/39/48/776513948.db2.gz BDRMPWZAWIUNTL-LBPRGKRZSA-N 2 1 298.387 -1.309 20 0 CAADMP C[N@H+]1CCO[C@H](C(=O)NCCC[NH2+]CC(=O)NC2CC2)C1 ZINC001156144194 776513952 /nfs/dbraw/zinc/51/39/52/776513952.db2.gz BDRMPWZAWIUNTL-LBPRGKRZSA-N 2 1 298.387 -1.309 20 0 CAADMP CN(c1ncnc2c1C[NH2+]C2)S(=O)(=O)CC[NH3+] ZINC001156236353 776518418 /nfs/dbraw/zinc/51/84/18/776518418.db2.gz GJPYXLHXGDDUMZ-UHFFFAOYSA-N 2 1 257.319 -1.196 20 0 CAADMP CC[NH+]1CCC(N2CN[C@H]([NH3+])[C@@H]3NCN[C@H]32)CC1 ZINC001169240579 776523041 /nfs/dbraw/zinc/52/30/41/776523041.db2.gz ARKSHMFNKZMLTD-SRVKXCTJSA-N 2 1 254.382 -1.537 20 0 CAADMP CC[NH+]1CCC(N2CN[C@H]([NH3+])[C@H]3NCN[C@H]32)CC1 ZINC001169240580 776523751 /nfs/dbraw/zinc/52/37/51/776523751.db2.gz ARKSHMFNKZMLTD-WOPDTQHZSA-N 2 1 254.382 -1.537 20 0 CAADMP O=C1CO[C@@H](CNc2nc(N3CC[NH2+]CC3)cc[nH+]2)CN1 ZINC001169269862 776523818 /nfs/dbraw/zinc/52/38/18/776523818.db2.gz IICGZOXXEUJTKP-SNVBAGLBSA-N 2 1 292.343 -1.187 20 0 CAADMP NC(=O)[C@@H](CO)Nc1nc(N2CC[NH2+]CC2)cc[nH+]1 ZINC001169322520 776523835 /nfs/dbraw/zinc/52/38/35/776523835.db2.gz CQVBJYXBPBNULV-MRVPVSSYSA-N 2 1 266.305 -1.856 20 0 CAADMP CNC(=O)C[NH2+]CCNC(=O)[C@H](Cn1cccn1)[NH+](C)C ZINC001129381849 776547199 /nfs/dbraw/zinc/54/71/99/776547199.db2.gz ZMXNBCAXRQSURG-NSHDSACASA-N 2 1 296.375 -1.735 20 0 CAADMP C[NH+](C)[C@H](Cn1cccn1)C(=O)NCC[NH2+]CCO ZINC001129384928 776548160 /nfs/dbraw/zinc/54/81/60/776548160.db2.gz BAAKUYNKITVCQQ-LLVKDONJSA-N 2 1 269.349 -1.489 20 0 CAADMP C[C@H](O)C[NH2+]CCNC(=O)[C@@H](Cn1cccn1)[NH+](C)C ZINC001129384966 776548336 /nfs/dbraw/zinc/54/83/36/776548336.db2.gz BHFZWZLHDDSVDH-NWDGAFQWSA-N 2 1 283.376 -1.100 20 0 CAADMP C[C@@H](O)C[NH2+]CCNC(=O)[C@H](Cn1cccn1)[NH+](C)C ZINC001129384962 776549528 /nfs/dbraw/zinc/54/95/28/776549528.db2.gz BHFZWZLHDDSVDH-NEPJUHHUSA-N 2 1 283.376 -1.100 20 0 CAADMP C[NH+](C)[C@@H](Cn1cccn1)C(=O)NCC[NH2+]CCCO ZINC001129386427 776550222 /nfs/dbraw/zinc/55/02/22/776550222.db2.gz KSZYSSDLCSSAFN-LBPRGKRZSA-N 2 1 283.376 -1.099 20 0 CAADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CC[NH+](CCO)C[C@@H]1O ZINC001100132503 776551992 /nfs/dbraw/zinc/55/19/92/776551992.db2.gz UYUHOZYPSSDPAT-NEPJUHHUSA-N 2 1 273.377 -1.130 20 0 CAADMP CC(C)[NH+](C)CC(=O)N[C@@H]1CC[N@H+](CCO)C[C@@H]1O ZINC001100132503 776552001 /nfs/dbraw/zinc/55/20/01/776552001.db2.gz UYUHOZYPSSDPAT-NEPJUHHUSA-N 2 1 273.377 -1.130 20 0 CAADMP CC(C)[NH+](C)CC(=O)N[C@@H]1CC[N@@H+](CCO)C[C@@H]1O ZINC001100132503 776552012 /nfs/dbraw/zinc/55/20/12/776552012.db2.gz UYUHOZYPSSDPAT-NEPJUHHUSA-N 2 1 273.377 -1.130 20 0 CAADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[N@H+](CCO)C[C@H]1O ZINC001090434386 776554091 /nfs/dbraw/zinc/55/40/91/776554091.db2.gz YDDTWVOZQTXSMH-VXGBXAGGSA-N 2 1 282.344 -1.265 20 0 CAADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[N@@H+](CCO)C[C@H]1O ZINC001090434386 776554095 /nfs/dbraw/zinc/55/40/95/776554095.db2.gz YDDTWVOZQTXSMH-VXGBXAGGSA-N 2 1 282.344 -1.265 20 0 CAADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[N@H+](CCO)C[C@H]1O ZINC001090434382 776554165 /nfs/dbraw/zinc/55/41/65/776554165.db2.gz YDDTWVOZQTXSMH-NWDGAFQWSA-N 2 1 282.344 -1.265 20 0 CAADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[N@@H+](CCO)C[C@H]1O ZINC001090434382 776554169 /nfs/dbraw/zinc/55/41/69/776554169.db2.gz YDDTWVOZQTXSMH-NWDGAFQWSA-N 2 1 282.344 -1.265 20 0 CAADMP CN(C)C1CN(C(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)C1 ZINC001157681415 776595501 /nfs/dbraw/zinc/59/55/01/776595501.db2.gz GZOIPJOCCXGLHZ-ZWNOBZJWSA-N 2 1 252.362 -1.042 20 0 CAADMP C[N@@H+](CC(=O)NCC[NH2+][C@H]1CCC(=O)NC1=O)C1CCC1 ZINC001129531581 776620708 /nfs/dbraw/zinc/62/07/08/776620708.db2.gz AELVCHMNEQPDPF-NSHDSACASA-N 2 1 296.371 -1.018 20 0 CAADMP C[C@H]([NH2+]CCNC(=O)C[N@@H+](C)C1CCC1)C(=O)NC(N)=O ZINC001129535530 776622831 /nfs/dbraw/zinc/62/28/31/776622831.db2.gz WCWKSKMGCPRAGR-VIFPVBQESA-N 2 1 299.375 -1.240 20 0 CAADMP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)N1CCCNC(=O)C1 ZINC001157888466 776631156 /nfs/dbraw/zinc/63/11/56/776631156.db2.gz DFNCXAZMABJEDH-NSHDSACASA-N 2 1 283.376 -1.915 20 0 CAADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC[NH2+]CCOCCO)O1 ZINC001130182736 776643861 /nfs/dbraw/zinc/64/38/61/776643861.db2.gz VDVWMRSMKNBJCN-VXGBXAGGSA-N 2 1 289.376 -1.580 20 0 CAADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC[NH2+]CCOCCO)O1 ZINC001130182736 776643863 /nfs/dbraw/zinc/64/38/63/776643863.db2.gz VDVWMRSMKNBJCN-VXGBXAGGSA-N 2 1 289.376 -1.580 20 0 CAADMP C[C@H](O)C[NH2+]CCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001130182307 776644453 /nfs/dbraw/zinc/64/44/53/776644453.db2.gz BQENTWNACNIMMD-HBNTYKKESA-N 2 1 259.350 -1.208 20 0 CAADMP C[C@H](O)C[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001130182307 776644463 /nfs/dbraw/zinc/64/44/63/776644463.db2.gz BQENTWNACNIMMD-HBNTYKKESA-N 2 1 259.350 -1.208 20 0 CAADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC[NH2+][C@H]2CCN(C)C2=O)O1 ZINC001130182490 776644487 /nfs/dbraw/zinc/64/44/87/776644487.db2.gz KIOCVBVUBNIIMU-GRYCIOLGSA-N 2 1 298.387 -1.358 20 0 CAADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC[NH2+][C@H]2CCN(C)C2=O)O1 ZINC001130182490 776644494 /nfs/dbraw/zinc/64/44/94/776644494.db2.gz KIOCVBVUBNIIMU-GRYCIOLGSA-N 2 1 298.387 -1.358 20 0 CAADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC[NH2+][C@H]2CCCNC2=O)O1 ZINC001130182422 776644826 /nfs/dbraw/zinc/64/48/26/776644826.db2.gz HAXPWGRLXMDEHY-GRYCIOLGSA-N 2 1 298.387 -1.310 20 0 CAADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC[NH2+][C@H]2CCCNC2=O)O1 ZINC001130182422 776644831 /nfs/dbraw/zinc/64/48/31/776644831.db2.gz HAXPWGRLXMDEHY-GRYCIOLGSA-N 2 1 298.387 -1.310 20 0 CAADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC[NH2+][C@@H]2CCCNC2=O)O1 ZINC001130182423 776645298 /nfs/dbraw/zinc/64/52/98/776645298.db2.gz HAXPWGRLXMDEHY-IJLUTSLNSA-N 2 1 298.387 -1.310 20 0 CAADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC[NH2+][C@@H]2CCCNC2=O)O1 ZINC001130182423 776645300 /nfs/dbraw/zinc/64/53/00/776645300.db2.gz HAXPWGRLXMDEHY-IJLUTSLNSA-N 2 1 298.387 -1.310 20 0 CAADMP C[C@]1(CO)CN(C(=O)C[NH2+]C2CC[NH2+]CC2)CC[C@H]1O ZINC001157942944 776647775 /nfs/dbraw/zinc/64/77/75/776647775.db2.gz AYMCIRIHCCLLIE-TZMCWYRMSA-N 2 1 285.388 -1.080 20 0 CAADMP CNC(=O)C[NH2+]CCNC(=O)[C@H]1CCCC[N@H+]1C ZINC001130297533 776648640 /nfs/dbraw/zinc/64/86/40/776648640.db2.gz OBXWHYGYTTUFIJ-SNVBAGLBSA-N 2 1 256.350 -1.078 20 0 CAADMP CNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001130297794 776648990 /nfs/dbraw/zinc/64/89/90/776648990.db2.gz SAUFUVYPNLUVLW-JTQLQIEISA-N 2 1 299.375 -1.368 20 0 CAADMP CCOC(=O)[C@H]1CNCCN1C(=O)[C@@H]([NH3+])CC[NH3+] ZINC001157997582 776659920 /nfs/dbraw/zinc/65/99/20/776659920.db2.gz AAYXKRVISQTAGA-DTWKUNHWSA-N 2 1 258.322 -1.974 20 0 CAADMP CNC(=O)C[NH2+]CCNC(=O)Cn1c[nH+]cc1C ZINC001131377100 776689973 /nfs/dbraw/zinc/68/99/73/776689973.db2.gz GVOSYHJLPLWOFC-UHFFFAOYSA-N 2 1 253.306 -1.357 20 0 CAADMP C[N@@H+]1CCO[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]CC(N)=O)C2)C1 ZINC001086664764 776689982 /nfs/dbraw/zinc/68/99/82/776689982.db2.gz CQAFDDXIRBOSBH-TUAOUCFPSA-N 2 1 298.387 -1.323 20 0 CAADMP C[N@H+]1CCO[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]CC(N)=O)C2)C1 ZINC001086664764 776689985 /nfs/dbraw/zinc/68/99/85/776689985.db2.gz CQAFDDXIRBOSBH-TUAOUCFPSA-N 2 1 298.387 -1.323 20 0 CAADMP Cc1c[nH+]cn1CC(=O)NCC[NH2+]CCN1CCNC1=O ZINC001131380161 776690945 /nfs/dbraw/zinc/69/09/45/776690945.db2.gz DYFSXTODUMIFRD-UHFFFAOYSA-N 2 1 294.359 -1.077 20 0 CAADMP Cc1c[nH+]cn1CC(=O)NCC[NH2+][C@H](C)C(N)=O ZINC001131380556 776690975 /nfs/dbraw/zinc/69/09/75/776690975.db2.gz QRMBTSYULHLTTB-SECBINFHSA-N 2 1 253.306 -1.229 20 0 CAADMP Cc1c[nH+]cn1CC(=O)NCC[NH2+][C@H](C)C(=O)NC(N)=O ZINC001131387625 776691417 /nfs/dbraw/zinc/69/14/17/776691417.db2.gz XHBWOWSLNKEGLU-SECBINFHSA-N 2 1 296.331 -1.519 20 0 CAADMP COC[C@H](O)C[NH2+]CCNC(=O)Cn1c[nH+]cc1C ZINC001131380560 776692105 /nfs/dbraw/zinc/69/21/05/776692105.db2.gz QUYULIUHAKIXJP-LLVKDONJSA-N 2 1 270.333 -1.095 20 0 CAADMP Cc1c[nH+]cn1CC(=O)NCC[NH2+][C@@H](C)C(N)=O ZINC001131380557 776692250 /nfs/dbraw/zinc/69/22/50/776692250.db2.gz QRMBTSYULHLTTB-VIFPVBQESA-N 2 1 253.306 -1.229 20 0 CAADMP C[C@H]([NH2+]CCNC(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1)C(N)=O ZINC001131520291 776693225 /nfs/dbraw/zinc/69/32/25/776693225.db2.gz WXKAXKOPKSHSJB-OZAVNUTGSA-N 2 1 296.371 -1.571 20 0 CAADMP C[C@@H](O)C[NH2+]CCNC(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001131520483 776693544 /nfs/dbraw/zinc/69/35/44/776693544.db2.gz ZBBBQIOKCSZSLS-JJMZSNKZSA-N 2 1 283.372 -1.064 20 0 CAADMP C[C@H](O)C[NH2+]CCNC(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001131520485 776693611 /nfs/dbraw/zinc/69/36/11/776693611.db2.gz ZBBBQIOKCSZSLS-WDBLDGLGSA-N 2 1 283.372 -1.064 20 0 CAADMP C[C@@H]([NH2+]CCNC(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1)C(N)=O ZINC001131520288 776693847 /nfs/dbraw/zinc/69/38/47/776693847.db2.gz WXKAXKOPKSHSJB-FQYCYVTBSA-N 2 1 296.371 -1.571 20 0 CAADMP N[C@@H](CN1CCC([NH3+])CC1)C(=O)N1CCC[C@H]2[NH2+]C[C@@H]21 ZINC001158425333 776694636 /nfs/dbraw/zinc/69/46/36/776694636.db2.gz WUEBJLRZEFVWHW-XQQFMLRXSA-N 2 1 281.404 -1.300 20 0 CAADMP N[C@@H](CN1CCC([NH3+])CC1)C(=O)N1CCC[C@H]2[NH2+]C[C@H]21 ZINC001158425334 776695739 /nfs/dbraw/zinc/69/57/39/776695739.db2.gz WUEBJLRZEFVWHW-YNEHKIRRSA-N 2 1 281.404 -1.300 20 0 CAADMP N[C@@H]1C[NH2+][C@H](C(=O)N2CC[C@@]34C[NH2+]C[C@@H](C[C@H]3C2)O4)C1 ZINC001158546789 776713544 /nfs/dbraw/zinc/71/35/44/776713544.db2.gz MBMHCCIVJWDRLC-BYNIDDHOSA-N 2 1 280.372 -1.345 20 0 CAADMP CC(C)[N@H+]1CCO[C@@H](C(=O)NCC[NH2+]CC(N)=O)C1 ZINC001132859298 776752004 /nfs/dbraw/zinc/75/20/04/776752004.db2.gz ZBPXJYOXSQPSNZ-SNVBAGLBSA-N 2 1 272.349 -1.713 20 0 CAADMP CC(C)[N@H+]1CCO[C@H](C(=O)NCC[NH2+]CC(N)=O)C1 ZINC001132859297 776752135 /nfs/dbraw/zinc/75/21/35/776752135.db2.gz ZBPXJYOXSQPSNZ-JTQLQIEISA-N 2 1 272.349 -1.713 20 0 CAADMP CNC(=O)C[NH2+]CCNC(=O)[C@@H]1C[N@H+](C(C)C)CCO1 ZINC001132848853 776752324 /nfs/dbraw/zinc/75/23/24/776752324.db2.gz UHJULPOGYORCIX-NSHDSACASA-N 2 1 286.376 -1.453 20 0 CAADMP CC(C)[N@H+]1CCO[C@@H](C(=O)NCC[NH2+][C@H]2CCNC2=O)C1 ZINC001132858837 776752459 /nfs/dbraw/zinc/75/24/59/776752459.db2.gz LNPYPFWXFFRABT-NWDGAFQWSA-N 2 1 298.387 -1.310 20 0 CAADMP CC(C)[N@H+]1CCO[C@H](C(=O)NCC[NH2+][C@H](C)C(N)=O)C1 ZINC001132848416 776752663 /nfs/dbraw/zinc/75/26/63/776752663.db2.gz HSAFMBQSUZOVFF-MNOVXSKESA-N 2 1 286.376 -1.325 20 0 CAADMP CC(C)[N@H+]1CCO[C@@H](C(=O)NCC[NH2+][C@@H](C)C(N)=O)C1 ZINC001132848418 776752966 /nfs/dbraw/zinc/75/29/66/776752966.db2.gz HSAFMBQSUZOVFF-WDEREUQCSA-N 2 1 286.376 -1.325 20 0 CAADMP CC(C)[N@H+]1CCO[C@H](C(=O)NCC[NH2+][C@H]2CCNC2=O)C1 ZINC001132858838 776753093 /nfs/dbraw/zinc/75/30/93/776753093.db2.gz LNPYPFWXFFRABT-RYUDHWBXSA-N 2 1 298.387 -1.310 20 0 CAADMP C[C@H]1C[C@@H](C(=O)NCC[NH2+]CC(=O)NC(N)=O)CC[N@H+]1C ZINC001132886394 776753777 /nfs/dbraw/zinc/75/37/77/776753777.db2.gz KOBFTFXFUTVGSU-UWVGGRQHSA-N 2 1 299.375 -1.383 20 0 CAADMP Cn1nnnc1C[NH2+]CCNC(=O)CCC[NH+](C)C ZINC001133040389 776757886 /nfs/dbraw/zinc/75/78/86/776757886.db2.gz OPIFWPBSQKBICV-UHFFFAOYSA-N 2 1 269.353 -1.242 20 0 CAADMP Cn1cc(C[NH2+]CCNC(=O)CC[NH+](C)C)nn1 ZINC001133297960 776775942 /nfs/dbraw/zinc/77/59/42/776775942.db2.gz UPTOAYNBUBLMLY-UHFFFAOYSA-N 2 1 254.338 -1.027 20 0 CAADMP CNC(=O)C[NH2+]CCNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001133845469 776789857 /nfs/dbraw/zinc/78/98/57/776789857.db2.gz GPFXFTURQIYWSL-SNVBAGLBSA-N 2 1 256.350 -1.220 20 0 CAADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCC[NH2+]CCOCCO ZINC001133862160 776788952 /nfs/dbraw/zinc/78/89/52/776788952.db2.gz AWESWPYFFHAWND-VXGBXAGGSA-N 2 1 273.377 -1.101 20 0 CAADMP CNC(=O)C[NH2+]CCNC(=O)[C@@H]1C[N@@H+](C)C[C@@H]1C ZINC001133863091 776790020 /nfs/dbraw/zinc/79/00/20/776790020.db2.gz JREJEFHHEIHQJF-VHSXEESVSA-N 2 1 256.350 -1.364 20 0 CAADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCC[NH2+]CC(=O)N(C)C ZINC001133863545 776790134 /nfs/dbraw/zinc/79/01/34/776790134.db2.gz NWAKOMWBLQPVDV-GHMZBOCLSA-N 2 1 270.377 -1.022 20 0 CAADMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCC[NH2+]CCOCCO ZINC001133862155 776790163 /nfs/dbraw/zinc/79/01/63/776790163.db2.gz AWESWPYFFHAWND-NWDGAFQWSA-N 2 1 273.377 -1.101 20 0 CAADMP CNC(=O)NC(=O)C[NH2+]CCNC(=O)C[N@H+]1CCC[C@H]1C ZINC001133819679 776790494 /nfs/dbraw/zinc/79/04/94/776790494.db2.gz LCLOBMMWOMJYCV-SNVBAGLBSA-N 2 1 299.375 -1.368 20 0 CAADMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC[NH2+]CCN1CCNC1=O ZINC001133863071 776790665 /nfs/dbraw/zinc/79/06/65/776790665.db2.gz JBWYDOIZMHOFAA-RYUDHWBXSA-N 2 1 297.403 -1.085 20 0 CAADMP C[C@@H]1CC[N@@H+](CC(=O)NCC[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001133846264 776790696 /nfs/dbraw/zinc/79/06/96/776790696.db2.gz XNQNQOHGMQEBNC-GHMZBOCLSA-N 2 1 296.371 -1.161 20 0 CAADMP C[C@@H]1CC[N@@H+](CC(=O)NCC[NH2+][C@H]2CCNC2=O)C1 ZINC001133845757 776790716 /nfs/dbraw/zinc/79/07/16/776790716.db2.gz MRNJEJOGSDMTIL-MNOVXSKESA-N 2 1 268.361 -1.078 20 0 CAADMP C[C@@H]1CCC[N@H+]1CC(=O)NCC[NH2+][C@H]1CCC(=O)NC1=O ZINC001133819877 776790742 /nfs/dbraw/zinc/79/07/42/776790742.db2.gz QCAQUTCPQQSJQC-MNOVXSKESA-N 2 1 296.371 -1.018 20 0 CAADMP C[C@@H]([NH2+]CCNC(=O)C[N@H+]1CC[C@@H](C)C1)C(=O)NC(N)=O ZINC001133851036 776790883 /nfs/dbraw/zinc/79/08/83/776790883.db2.gz VHSJDUUIUUXDQI-NXEZZACHSA-N 2 1 299.375 -1.383 20 0 CAADMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC[NH2+]CCS(C)(=O)=O ZINC001133870953 776791610 /nfs/dbraw/zinc/79/16/10/776791610.db2.gz XWHKGDUFXTVRSD-QWRGUYRKSA-N 2 1 291.417 -1.066 20 0 CAADMP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCC[NH2+]Cc1nnnn1C ZINC001133865243 776793124 /nfs/dbraw/zinc/79/31/24/776793124.db2.gz BAUJJSZFUGOEAR-UWVGGRQHSA-N 2 1 281.364 -1.386 20 0 CAADMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC[NH2+]Cc1nnnn1C ZINC001133865243 776793128 /nfs/dbraw/zinc/79/31/28/776793128.db2.gz BAUJJSZFUGOEAR-UWVGGRQHSA-N 2 1 281.364 -1.386 20 0 CAADMP C[N@H+]1CC[C@@H](C(=O)NC[C@@H](CO)[NH2+]CC(N)=O)C1 ZINC001283827093 777922415 /nfs/dbraw/zinc/92/24/15/777922415.db2.gz HIVKBUMDUTXXOQ-BDAKNGLRSA-N 2 1 258.322 -2.510 20 0 CAADMP C[N@H+]1CC[C@H](C(=O)NC[C@H](CO)[NH2+]CC(N)=O)C1 ZINC001283827094 777922641 /nfs/dbraw/zinc/92/26/41/777922641.db2.gz HIVKBUMDUTXXOQ-DTWKUNHWSA-N 2 1 258.322 -2.510 20 0 CAADMP C[N@H+]1CC[C@H](C(=O)NC[C@@H](CO)[NH2+]CC(N)=O)C1 ZINC001283827095 777922730 /nfs/dbraw/zinc/92/27/30/777922730.db2.gz HIVKBUMDUTXXOQ-IUCAKERBSA-N 2 1 258.322 -2.510 20 0 CAADMP C[N@H+]1CC[C@@H](C(=O)NC[C@H](CO)[NH2+]CC(N)=O)C1 ZINC001283827096 777922748 /nfs/dbraw/zinc/92/27/48/777922748.db2.gz HIVKBUMDUTXXOQ-RKDXNWHRSA-N 2 1 258.322 -2.510 20 0 CAADMP C[N@@H+]1CC[C@H](C(=O)NCCNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001292607391 778041656 /nfs/dbraw/zinc/04/16/56/778041656.db2.gz IKKUKGFFIIEHMA-NWDGAFQWSA-N 2 1 298.387 -1.499 20 0 CAADMP C[N@H+]1CC[C@H](C(=O)NCCNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001292607391 778041666 /nfs/dbraw/zinc/04/16/66/778041666.db2.gz IKKUKGFFIIEHMA-NWDGAFQWSA-N 2 1 298.387 -1.499 20 0 CAADMP C[NH+]1CC[C@H](C(=O)NCCNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001292607391 778041678 /nfs/dbraw/zinc/04/16/78/778041678.db2.gz IKKUKGFFIIEHMA-NWDGAFQWSA-N 2 1 298.387 -1.499 20 0 CAADMP C[NH+]1CC[C@H](C(=O)NCCNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001292607391 778041685 /nfs/dbraw/zinc/04/16/85/778041685.db2.gz IKKUKGFFIIEHMA-NWDGAFQWSA-N 2 1 298.387 -1.499 20 0 CAADMP C[N@@H+]1CC[C@H](C(=O)NCCNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001292607392 778042045 /nfs/dbraw/zinc/04/20/45/778042045.db2.gz IKKUKGFFIIEHMA-RYUDHWBXSA-N 2 1 298.387 -1.499 20 0 CAADMP C[N@H+]1CC[C@H](C(=O)NCCNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001292607392 778042056 /nfs/dbraw/zinc/04/20/56/778042056.db2.gz IKKUKGFFIIEHMA-RYUDHWBXSA-N 2 1 298.387 -1.499 20 0 CAADMP C[NH+]1CC[C@H](C(=O)NCCNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001292607392 778042068 /nfs/dbraw/zinc/04/20/68/778042068.db2.gz IKKUKGFFIIEHMA-RYUDHWBXSA-N 2 1 298.387 -1.499 20 0 CAADMP C[NH+]1CC[C@H](C(=O)NCCNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001292607392 778042080 /nfs/dbraw/zinc/04/20/80/778042080.db2.gz IKKUKGFFIIEHMA-RYUDHWBXSA-N 2 1 298.387 -1.499 20 0 CAADMP CC[NH+]1CCC(NC(=O)Cn2nnnc2C[NH3+])CC1 ZINC001118135726 779548528 /nfs/dbraw/zinc/54/85/28/779548528.db2.gz RMDYISUAZHQZND-UHFFFAOYSA-N 2 1 267.337 -1.268 20 0 CAADMP COCC[N@H+]1CC[C@H](NC(=O)CNC(=O)C[NH3+])C1 ZINC001118133761 779548619 /nfs/dbraw/zinc/54/86/19/779548619.db2.gz BJFNIKIQYRJMLC-VIFPVBQESA-N 2 1 258.322 -2.102 20 0 CAADMP C[NH2+][C@H](C(=O)NC[C@H]1C[NH2+]CCO1)c1cnn(C)c1 ZINC001118264373 779557935 /nfs/dbraw/zinc/55/79/35/779557935.db2.gz FEJKIOCIZWLXMI-MNOVXSKESA-N 2 1 267.333 -1.215 20 0 CAADMP O=C(C[N@@H+]1CC[C@H](n2cncn2)C1)N1CC[NH2+]CC1 ZINC001118263696 779558132 /nfs/dbraw/zinc/55/81/32/779558132.db2.gz KOSRLSQUHKADCB-NSHDSACASA-N 2 1 264.333 -1.043 20 0 CAADMP O=C(C[N@H+]1CC[C@H](n2cncn2)C1)N1CC[NH2+]CC1 ZINC001118263696 779558135 /nfs/dbraw/zinc/55/81/35/779558135.db2.gz KOSRLSQUHKADCB-NSHDSACASA-N 2 1 264.333 -1.043 20 0 CAADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC001118283780 779559954 /nfs/dbraw/zinc/55/99/54/779559954.db2.gz GHZHLCGFQNBCJV-WYUUTHIRSA-N 2 1 252.362 -1.186 20 0 CAADMP CCNC(=O)CN1CC[NH+](CCOCC[NH3+])CC1 ZINC001118285375 779560285 /nfs/dbraw/zinc/56/02/85/779560285.db2.gz UOMASBNPBZXUPI-UHFFFAOYSA-N 2 1 258.366 -1.285 20 0 CAADMP O[C@@H]1C[C@H]2CN(CCN3CC[NH2+]CC3)CC[N@H+]2C1 ZINC001118390635 779568874 /nfs/dbraw/zinc/56/88/74/779568874.db2.gz WXNZBPUDKWOTSG-QWHCGFSZSA-N 2 1 254.378 -1.358 20 0 CAADMP CN(CC(C)(C)[NH3+])C(=O)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC001118547923 779574034 /nfs/dbraw/zinc/57/40/34/779574034.db2.gz AENBOBPLMNDYEV-LLVKDONJSA-N 2 1 299.419 -1.456 20 0 CAADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)N[C@@H]1CC[NH2+]C1 ZINC001118862671 779590437 /nfs/dbraw/zinc/59/04/37/779590437.db2.gz UQTCQMIAUNRJAC-GHMZBOCLSA-N 2 1 255.366 -1.107 20 0 CAADMP C[C@H](C(N)=O)[N@@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC001118933098 779598308 /nfs/dbraw/zinc/59/83/08/779598308.db2.gz HIEFLSXBVKVCKT-KYXWUPHJSA-N 2 1 268.317 -1.273 20 0 CAADMP C[C@H](C(N)=O)[N@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC001118933098 779598311 /nfs/dbraw/zinc/59/83/11/779598311.db2.gz HIEFLSXBVKVCKT-KYXWUPHJSA-N 2 1 268.317 -1.273 20 0 CAADMP C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)N(C)CCN1CC[NH2+]CC1 ZINC001121810632 779650736 /nfs/dbraw/zinc/65/07/36/779650736.db2.gz LQAKCNDEAJYRIW-KGLIPLIRSA-N 2 1 295.431 -1.262 20 0 CAADMP COCC[N@@H+](C)CCCNC(=O)[C@H]1C[NH2+]CCN1C ZINC001121908603 779653141 /nfs/dbraw/zinc/65/31/41/779653141.db2.gz ANIBRMCEUCFYOW-GFCCVEGCSA-N 2 1 272.393 -1.026 20 0 CAADMP COCC[N@@H+](C)CCCNC(=O)[C@@H]1C[NH2+]CCN1C ZINC001121908604 779653218 /nfs/dbraw/zinc/65/32/18/779653218.db2.gz ANIBRMCEUCFYOW-LBPRGKRZSA-N 2 1 272.393 -1.026 20 0 CAADMP C[C@@]1(C(=O)NCCC[NH+]2CCOCC2)C[C@@H](O)C[NH2+]1 ZINC001121975248 779653877 /nfs/dbraw/zinc/65/38/77/779653877.db2.gz OLFMKXDLLHBAHS-YPMHNXCESA-N 2 1 271.361 -1.062 20 0 CAADMP C[C@]1(C(=O)NCCC[NH+]2CCOCC2)C[C@H](O)C[NH2+]1 ZINC001121975247 779653976 /nfs/dbraw/zinc/65/39/76/779653976.db2.gz OLFMKXDLLHBAHS-WCQYABFASA-N 2 1 271.361 -1.062 20 0 CAADMP C[C@H]1CN2CC[N@H+]1C[C@H]2C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001122022734 779654934 /nfs/dbraw/zinc/65/49/34/779654934.db2.gz VJDHCADSLXTTCV-HHHUOAJASA-N 2 1 250.346 -1.291 20 0 CAADMP C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001122022736 779655108 /nfs/dbraw/zinc/65/51/08/779655108.db2.gz VJDHCADSLXTTCV-ZIQFBCGOSA-N 2 1 250.346 -1.291 20 0 CAADMP COCCC[N@@H+](C)CCNC(=O)[C@@H]1C[NH2+]CCN1C ZINC001122002793 779655655 /nfs/dbraw/zinc/65/56/55/779655655.db2.gz KOJIXOYVVZWTFV-LBPRGKRZSA-N 2 1 272.393 -1.026 20 0 CAADMP COC(=O)CC[N@@H+]1CCN(C(=O)CNCC[NH3+])[C@@H](C)C1 ZINC001122054816 779656392 /nfs/dbraw/zinc/65/63/92/779656392.db2.gz RZNBIKYNZKJJHE-NSHDSACASA-N 2 1 286.376 -1.370 20 0 CAADMP COC(=O)CC[N@H+]1CCN(C(=O)CNCC[NH3+])[C@@H](C)C1 ZINC001122054816 779656396 /nfs/dbraw/zinc/65/63/96/779656396.db2.gz RZNBIKYNZKJJHE-NSHDSACASA-N 2 1 286.376 -1.370 20 0 CAADMP C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)NC[C@H]1COCC[NH2+]1 ZINC001122090079 779657143 /nfs/dbraw/zinc/65/71/43/779657143.db2.gz RGWAJRDEUNGLLF-GRYCIOLGSA-N 2 1 268.361 -1.521 20 0 CAADMP C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)NCCOCCC[NH3+] ZINC001122095305 779657914 /nfs/dbraw/zinc/65/79/14/779657914.db2.gz AZLFRTUAKZUBTM-VXGBXAGGSA-N 2 1 270.377 -1.144 20 0 CAADMP C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N1CCNCC[NH2+]CC1 ZINC001122288650 779663077 /nfs/dbraw/zinc/66/30/77/779663077.db2.gz NCFBFJGBCNZRLU-CHWSQXEVSA-N 2 1 281.404 -1.604 20 0 CAADMP C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)N1CCNCC[NH2+]CC1 ZINC001122288743 779663306 /nfs/dbraw/zinc/66/33/06/779663306.db2.gz NCFBFJGBCNZRLU-OLZOCXBDSA-N 2 1 281.404 -1.604 20 0 CAADMP O=C(N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO)C1(O)C[NH2+]C1 ZINC001122442455 779668887 /nfs/dbraw/zinc/66/88/87/779668887.db2.gz PLMDNIIUCYSIOH-WDEREUQCSA-N 2 1 269.345 -1.622 20 0 CAADMP CO[C@@H](C[NH3+])C(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCN1C ZINC001122449682 779668915 /nfs/dbraw/zinc/66/89/15/779668915.db2.gz WPKMRRMFJVNEOS-AXFHLTTASA-N 2 1 258.366 -1.289 20 0 CAADMP O=C(NC[C@@]1(CO)COC[C@@H]2CCC[N@@H+]21)[C@H]1CC[NH2+]1 ZINC001122484257 779670781 /nfs/dbraw/zinc/67/07/81/779670781.db2.gz MJIZNRCSYBWJTO-DMDPSCGWSA-N 2 1 269.345 -1.310 20 0 CAADMP O=C(NC[C@@]1(CO)COC[C@@H]2CCC[N@H+]21)[C@H]1CC[NH2+]1 ZINC001122484257 779670789 /nfs/dbraw/zinc/67/07/89/779670789.db2.gz MJIZNRCSYBWJTO-DMDPSCGWSA-N 2 1 269.345 -1.310 20 0 CAADMP C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)NCCN1CC[NH+](C)CC1 ZINC001123484348 779689251 /nfs/dbraw/zinc/68/92/51/779689251.db2.gz RRGJLJXIPJNBIX-KGLIPLIRSA-N 2 1 295.431 -1.262 20 0 CAADMP C[C@H]1CN2CC[N@H+]1C[C@H]2C(=O)NCCN1CC[NH+](C)CC1 ZINC001123484347 779689287 /nfs/dbraw/zinc/68/92/87/779689287.db2.gz RRGJLJXIPJNBIX-KBPBESRZSA-N 2 1 295.431 -1.262 20 0 CAADMP C[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]CCNS(C)(=O)=O ZINC001124878540 779718864 /nfs/dbraw/zinc/71/88/64/779718864.db2.gz NKIBEZNJEPKXBP-JTQLQIEISA-N 2 1 292.405 -1.664 20 0 CAADMP C[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]CC(=O)NC(N)=O ZINC001124873282 779719021 /nfs/dbraw/zinc/71/90/21/779719021.db2.gz VLWKUECLVBLIAC-QMMMGPOBSA-N 2 1 271.321 -2.019 20 0 CAADMP C[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]CCOCCO ZINC001124878458 779719048 /nfs/dbraw/zinc/71/90/48/779719048.db2.gz MSNSBNCPXRAHAK-NSHDSACASA-N 2 1 259.350 -1.205 20 0 CAADMP C[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]CCN1C(=O)CCC1=O ZINC001124867463 779719465 /nfs/dbraw/zinc/71/94/65/779719465.db2.gz WCGAYTZWDZAUTP-NSHDSACASA-N 2 1 296.371 -1.065 20 0 CAADMP CNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001124867727 779719536 /nfs/dbraw/zinc/71/95/36/779719536.db2.gz YQVHSNZZZZYWQK-UWVGGRQHSA-N 2 1 299.375 -1.370 20 0 CAADMP CNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1CCC[N@H+]1C ZINC001124867726 779719594 /nfs/dbraw/zinc/71/95/94/779719594.db2.gz YQVHSNZZZZYWQK-NXEZZACHSA-N 2 1 299.375 -1.370 20 0 CAADMP CNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1CCC[N@H+]1C ZINC001124877102 779719936 /nfs/dbraw/zinc/71/99/36/779719936.db2.gz BOKISNBWTUGVFN-VHSXEESVSA-N 2 1 256.350 -1.079 20 0 CAADMP COC[C@@H](O)C[NH2+]CCNC(=O)[C@H]1CCC[N@H+]1C ZINC001124877645 779720039 /nfs/dbraw/zinc/72/00/39/779720039.db2.gz HIZNJHQYLWMMTN-WDEREUQCSA-N 2 1 259.350 -1.206 20 0 CAADMP CCNC(=O)C[NH2+]CCNC(=O)[C@H]1CCC[N@H+]1C ZINC001124872261 779720115 /nfs/dbraw/zinc/72/01/15/779720115.db2.gz CLRLQNLSBJUJKM-SNVBAGLBSA-N 2 1 256.350 -1.078 20 0 CAADMP C[C@H]([NH2+]CCNC(=O)[C@H]1C[N@H+](C)CCO1)C(=O)N(C)C ZINC001125220875 779723390 /nfs/dbraw/zinc/72/33/90/779723390.db2.gz LTHVTDKWACXQAL-WDEREUQCSA-N 2 1 286.376 -1.501 20 0 CAADMP C[C@H]([NH2+]CCNC(=O)[C@H]1C[N@@H+](C)CCO1)C(=O)N(C)C ZINC001125220875 779723393 /nfs/dbraw/zinc/72/33/93/779723393.db2.gz LTHVTDKWACXQAL-WDEREUQCSA-N 2 1 286.376 -1.501 20 0 CAADMP C[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+]CC(=O)N2CCC2)C1 ZINC001125214399 779723525 /nfs/dbraw/zinc/72/35/25/779723525.db2.gz SIUFQTKIHBXGGJ-LLVKDONJSA-N 2 1 284.360 -1.745 20 0 CAADMP C[N@H+]1CCO[C@@H](C(=O)NCC[NH2+]CC(=O)N2CCC2)C1 ZINC001125214399 779723530 /nfs/dbraw/zinc/72/35/30/779723530.db2.gz SIUFQTKIHBXGGJ-LLVKDONJSA-N 2 1 284.360 -1.745 20 0 CAADMP C[C@@H]([NH2+]CCNC(=O)[C@H]1C[N@H+](C)CCO1)C(=O)NC1CC1 ZINC001125203348 779723674 /nfs/dbraw/zinc/72/36/74/779723674.db2.gz MACHDUIEXBCQFX-ZYHUDNBSSA-N 2 1 298.387 -1.310 20 0 CAADMP C[C@@H]([NH2+]CCNC(=O)[C@H]1C[N@@H+](C)CCO1)C(=O)NC1CC1 ZINC001125203348 779723682 /nfs/dbraw/zinc/72/36/82/779723682.db2.gz MACHDUIEXBCQFX-ZYHUDNBSSA-N 2 1 298.387 -1.310 20 0 CAADMP C[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+]CCn2cccn2)C1 ZINC001125209616 779724088 /nfs/dbraw/zinc/72/40/88/779724088.db2.gz WYXAXLDGTOHSOD-GFCCVEGCSA-N 2 1 281.360 -1.081 20 0 CAADMP C[N@H+]1CCO[C@@H](C(=O)NCC[NH2+]CCn2cccn2)C1 ZINC001125209616 779724097 /nfs/dbraw/zinc/72/40/97/779724097.db2.gz WYXAXLDGTOHSOD-GFCCVEGCSA-N 2 1 281.360 -1.081 20 0 CAADMP CCN(C)C(=O)C[NH2+]CCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001125213906 779724162 /nfs/dbraw/zinc/72/41/62/779724162.db2.gz MQQVXEDZIFXOIV-LLVKDONJSA-N 2 1 286.376 -1.499 20 0 CAADMP CCN(C)C(=O)C[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001125213906 779724169 /nfs/dbraw/zinc/72/41/69/779724169.db2.gz MQQVXEDZIFXOIV-LLVKDONJSA-N 2 1 286.376 -1.499 20 0 CAADMP C[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+]CCN2CCCC2=O)C1 ZINC001125209071 779724434 /nfs/dbraw/zinc/72/44/34/779724434.db2.gz MNNKYTPGKZLQBY-GFCCVEGCSA-N 2 1 298.387 -1.355 20 0 CAADMP C[N@H+]1CCO[C@@H](C(=O)NCC[NH2+]CCN2CCCC2=O)C1 ZINC001125209071 779724436 /nfs/dbraw/zinc/72/44/36/779724436.db2.gz MNNKYTPGKZLQBY-GFCCVEGCSA-N 2 1 298.387 -1.355 20 0 CAADMP CN(C)C(=O)C[NH2+]CCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001125220838 779724480 /nfs/dbraw/zinc/72/44/80/779724480.db2.gz KYHYUHAISZIVGZ-JTQLQIEISA-N 2 1 272.349 -1.889 20 0 CAADMP CN(C)C(=O)C[NH2+]CCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001125220838 779724483 /nfs/dbraw/zinc/72/44/83/779724483.db2.gz KYHYUHAISZIVGZ-JTQLQIEISA-N 2 1 272.349 -1.889 20 0 CAADMP Cn1cncc1C[NH2+]CCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001125214382 779724577 /nfs/dbraw/zinc/72/45/77/779724577.db2.gz SAEDAHHVFQJARA-GFCCVEGCSA-N 2 1 281.360 -1.044 20 0 CAADMP Cn1cncc1C[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001125214382 779724580 /nfs/dbraw/zinc/72/45/80/779724580.db2.gz SAEDAHHVFQJARA-GFCCVEGCSA-N 2 1 281.360 -1.044 20 0 CAADMP C[C@@H]([NH2+]CCNC(=O)[C@H]1C[N@H+](C)CCO1)C(=O)N(C)C ZINC001125220872 779724756 /nfs/dbraw/zinc/72/47/56/779724756.db2.gz LTHVTDKWACXQAL-GHMZBOCLSA-N 2 1 286.376 -1.501 20 0 CAADMP C[C@@H]([NH2+]CCNC(=O)[C@H]1C[N@@H+](C)CCO1)C(=O)N(C)C ZINC001125220872 779724762 /nfs/dbraw/zinc/72/47/62/779724762.db2.gz LTHVTDKWACXQAL-GHMZBOCLSA-N 2 1 286.376 -1.501 20 0 CAADMP Cn1cc(C[NH2+]CCNC(=O)[C@@H]2C[N@H+](C)CCO2)cn1 ZINC001125213347 779724948 /nfs/dbraw/zinc/72/49/48/779724948.db2.gz GEKYWWJZFNDIKK-LBPRGKRZSA-N 2 1 281.360 -1.044 20 0 CAADMP Cn1cc(C[NH2+]CCNC(=O)[C@@H]2C[N@@H+](C)CCO2)cn1 ZINC001125213347 779724953 /nfs/dbraw/zinc/72/49/53/779724953.db2.gz GEKYWWJZFNDIKK-LBPRGKRZSA-N 2 1 281.360 -1.044 20 0 CAADMP COC[C@H](O)C[NH2+]CCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001151058103 779801880 /nfs/dbraw/zinc/80/18/80/779801880.db2.gz WIDRNKOPNMDCRU-WDEREUQCSA-N 2 1 259.350 -1.349 20 0 CAADMP CN1CC[NH+](CCC(=O)NC2(C[NH3+])COC2)CC1 ZINC001143236593 779769073 /nfs/dbraw/zinc/76/90/73/779769073.db2.gz MTUBDGDBSXJBOL-UHFFFAOYSA-N 2 1 256.350 -1.532 20 0 CAADMP C[N@H+]1CC[C@@H](C(=O)NCC[NH2+][C@H]2CCCNC2=O)C1 ZINC001151049545 779801545 /nfs/dbraw/zinc/80/15/45/779801545.db2.gz RQHCAIRPUYMXKB-MNOVXSKESA-N 2 1 268.361 -1.078 20 0 CAADMP C[C@@H]([NH2+]CCNC(=O)[C@@H]1CC[N@H+](C)C1)c1nnnn1C ZINC001151057054 779801643 /nfs/dbraw/zinc/80/16/43/779801643.db2.gz RBQHOWLNTBHNMO-NXEZZACHSA-N 2 1 281.364 -1.071 20 0 CAADMP C[C@@H]([NH2+]CCNC(=O)[C@@H]1CC[N@@H+](C)C1)c1nnnn1C ZINC001151057054 779801654 /nfs/dbraw/zinc/80/16/54/779801654.db2.gz RBQHOWLNTBHNMO-NXEZZACHSA-N 2 1 281.364 -1.071 20 0 CAADMP C[N@H+]1CC[C@@H](C(=O)NCC[NH2+]CC(=O)NC2CC2)C1 ZINC001151049208 779801778 /nfs/dbraw/zinc/80/17/78/779801778.db2.gz KBETVNPZJWMLOM-SNVBAGLBSA-N 2 1 268.361 -1.078 20 0 CAADMP CNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001151049165 779802311 /nfs/dbraw/zinc/80/23/11/779802311.db2.gz IXTILRHKVDQLFS-SECBINFHSA-N 2 1 285.348 -1.901 20 0 CAADMP Cn1nncc1C[NH2+]CCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001151048952 779802438 /nfs/dbraw/zinc/80/24/38/779802438.db2.gz FRCHAXVCKVRCBD-JTQLQIEISA-N 2 1 266.349 -1.027 20 0 CAADMP CN(C)C(=O)C[NH2+]CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001151049262 779802814 /nfs/dbraw/zinc/80/28/14/779802814.db2.gz LTXUZAHALCWYEN-SNVBAGLBSA-N 2 1 256.350 -1.268 20 0 CAADMP C[C@H]([NH2+]CCNC(=O)[C@H]1CC[N@H+](C)C1)c1nnnn1C ZINC001151057055 779802623 /nfs/dbraw/zinc/80/26/23/779802623.db2.gz RBQHOWLNTBHNMO-UWVGGRQHSA-N 2 1 281.364 -1.071 20 0 CAADMP C[C@H]([NH2+]CCNC(=O)[C@H]1CC[N@@H+](C)C1)c1nnnn1C ZINC001151057055 779802625 /nfs/dbraw/zinc/80/26/25/779802625.db2.gz RBQHOWLNTBHNMO-UWVGGRQHSA-N 2 1 281.364 -1.071 20 0 CAADMP C[N@H+]1CC[C@@H](C(=O)NCC[NH2+]CCOCCO)C1 ZINC001151055703 779802701 /nfs/dbraw/zinc/80/27/01/779802701.db2.gz HKNAQPCKKVTNPX-LLVKDONJSA-N 2 1 259.350 -1.347 20 0 CAADMP CCNC(=O)C[NH2+]CCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001151048382 779802893 /nfs/dbraw/zinc/80/28/93/779802893.db2.gz APYGNEYLEFOBTL-JTQLQIEISA-N 2 1 256.350 -1.220 20 0 CAADMP Cn1ncnc1C[NH2+]CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001151049537 779802964 /nfs/dbraw/zinc/80/29/64/779802964.db2.gz RMZSIARDBNYPAI-SNVBAGLBSA-N 2 1 266.349 -1.027 20 0 CAADMP Cn1ncnc1C[NH2+]CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001151049537 779802971 /nfs/dbraw/zinc/80/29/71/779802971.db2.gz RMZSIARDBNYPAI-SNVBAGLBSA-N 2 1 266.349 -1.027 20 0 CAADMP CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001151048383 779803191 /nfs/dbraw/zinc/80/31/91/779803191.db2.gz APYGNEYLEFOBTL-SNVBAGLBSA-N 2 1 256.350 -1.220 20 0 CAADMP Cc1[nH+]ccn1CC(=O)NCC[NH2+][C@@H]1CCNC1=O ZINC001151147824 779804032 /nfs/dbraw/zinc/80/40/32/779804032.db2.gz YQLGGTXQZCTXGR-SNVBAGLBSA-N 2 1 265.317 -1.214 20 0 CAADMP Cc1[nH+]ccn1CC(=O)NCC[NH2+]CC(=O)N(C)C ZINC001151115571 779804634 /nfs/dbraw/zinc/80/46/34/779804634.db2.gz YGIVUPCYOSPXIX-UHFFFAOYSA-N 2 1 267.333 -1.014 20 0 CAADMP Cc1[nH+]ccn1CC(=O)NCC[NH2+][C@H](C)C(=O)NC(N)=O ZINC001151147768 779805153 /nfs/dbraw/zinc/80/51/53/779805153.db2.gz VLOIQZBPUYHUDA-MRVPVSSYSA-N 2 1 296.331 -1.519 20 0 CAADMP Cc1[nH+]ccn1CC(=O)NCC[NH2+][C@H]1CCNC1=O ZINC001151147823 779805242 /nfs/dbraw/zinc/80/52/42/779805242.db2.gz YQLGGTXQZCTXGR-JTQLQIEISA-N 2 1 265.317 -1.214 20 0 CAADMP CC[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+]CC(=O)N(C)C)C1 ZINC001151737428 779812836 /nfs/dbraw/zinc/81/28/36/779812836.db2.gz CZTAZPOHHLEOMF-LLVKDONJSA-N 2 1 286.376 -1.499 20 0 CAADMP CC[N@H+]1CCO[C@@H](C(=O)NCC[NH2+]CC(=O)N(C)C)C1 ZINC001151737428 779812838 /nfs/dbraw/zinc/81/28/38/779812838.db2.gz CZTAZPOHHLEOMF-LLVKDONJSA-N 2 1 286.376 -1.499 20 0 CAADMP CC[N@@H+]1CCO[C@H](C(=O)NCC[NH2+]CCn2cncn2)C1 ZINC001151736959 779812935 /nfs/dbraw/zinc/81/29/35/779812935.db2.gz BLQQEGYBFWAZMD-LBPRGKRZSA-N 2 1 296.375 -1.295 20 0 CAADMP CC[N@H+]1CCO[C@H](C(=O)NCC[NH2+]CCn2cncn2)C1 ZINC001151736959 779812939 /nfs/dbraw/zinc/81/29/39/779812939.db2.gz BLQQEGYBFWAZMD-LBPRGKRZSA-N 2 1 296.375 -1.295 20 0 CAADMP CC[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+]CCn2cncn2)C1 ZINC001151736958 779813040 /nfs/dbraw/zinc/81/30/40/779813040.db2.gz BLQQEGYBFWAZMD-GFCCVEGCSA-N 2 1 296.375 -1.295 20 0 CAADMP CC[N@H+]1CCO[C@@H](C(=O)NCC[NH2+]CCn2cncn2)C1 ZINC001151736958 779813048 /nfs/dbraw/zinc/81/30/48/779813048.db2.gz BLQQEGYBFWAZMD-GFCCVEGCSA-N 2 1 296.375 -1.295 20 0 CAADMP CC[N@@H+]1CCO[C@H](C(=O)NCC[NH2+][C@@H](C)C(N)=O)C1 ZINC001151737826 779813392 /nfs/dbraw/zinc/81/33/92/779813392.db2.gz FRNMHKLDJXGOBF-UWVGGRQHSA-N 2 1 272.349 -1.713 20 0 CAADMP CC[N@H+]1CCO[C@H](C(=O)NCC[NH2+][C@@H](C)C(N)=O)C1 ZINC001151737826 779813400 /nfs/dbraw/zinc/81/34/00/779813400.db2.gz FRNMHKLDJXGOBF-UWVGGRQHSA-N 2 1 272.349 -1.713 20 0 CAADMP CC[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+]C[C@@H](O)COC)C1 ZINC001151740494 779814345 /nfs/dbraw/zinc/81/43/45/779814345.db2.gz UQTWUMQKEXVDGB-VXGBXAGGSA-N 2 1 289.376 -1.580 20 0 CAADMP CC[N@H+]1CCO[C@@H](C(=O)NCC[NH2+]C[C@@H](O)COC)C1 ZINC001151740494 779814351 /nfs/dbraw/zinc/81/43/51/779814351.db2.gz UQTWUMQKEXVDGB-VXGBXAGGSA-N 2 1 289.376 -1.580 20 0 CAADMP CC[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+]CCCO)C1 ZINC001151740423 779814458 /nfs/dbraw/zinc/81/44/58/779814458.db2.gz STNNYFMWANJNFW-LLVKDONJSA-N 2 1 259.350 -1.205 20 0 CAADMP CC[N@H+]1CCO[C@@H](C(=O)NCC[NH2+]CCCO)C1 ZINC001151740423 779814465 /nfs/dbraw/zinc/81/44/65/779814465.db2.gz STNNYFMWANJNFW-LLVKDONJSA-N 2 1 259.350 -1.205 20 0 CAADMP CC[C@@H]([NH2+]CCNC(=O)[C@H]1C[N@H+](CC)CCO1)C(N)=O ZINC001151740249 779814545 /nfs/dbraw/zinc/81/45/45/779814545.db2.gz QZMNSTSCVAHRPN-GHMZBOCLSA-N 2 1 286.376 -1.323 20 0 CAADMP CC[C@@H]([NH2+]CCNC(=O)[C@H]1C[N@@H+](CC)CCO1)C(N)=O ZINC001151740249 779814552 /nfs/dbraw/zinc/81/45/52/779814552.db2.gz QZMNSTSCVAHRPN-GHMZBOCLSA-N 2 1 286.376 -1.323 20 0 CAADMP CC[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+][C@H](C)C(=O)NC)C1 ZINC001151740487 779814702 /nfs/dbraw/zinc/81/47/02/779814702.db2.gz UQHDZBMPJUFLDG-GHMZBOCLSA-N 2 1 286.376 -1.453 20 0 CAADMP CC[N@H+]1CCO[C@@H](C(=O)NCC[NH2+][C@H](C)C(=O)NC)C1 ZINC001151740487 779814709 /nfs/dbraw/zinc/81/47/09/779814709.db2.gz UQHDZBMPJUFLDG-GHMZBOCLSA-N 2 1 286.376 -1.453 20 0 CAADMP CC[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+]CC(N)=O)C1 ZINC001151749351 779815057 /nfs/dbraw/zinc/81/50/57/779815057.db2.gz VUMBUXTZPHVKCO-SECBINFHSA-N 2 1 258.322 -2.102 20 0 CAADMP CC[N@H+]1CCO[C@@H](C(=O)NCC[NH2+]CC(N)=O)C1 ZINC001151749351 779815064 /nfs/dbraw/zinc/81/50/64/779815064.db2.gz VUMBUXTZPHVKCO-SECBINFHSA-N 2 1 258.322 -2.102 20 0 CAADMP CC[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+][C@@H](C)C(=O)NC)C1 ZINC001151740490 779815205 /nfs/dbraw/zinc/81/52/05/779815205.db2.gz UQHDZBMPJUFLDG-WDEREUQCSA-N 2 1 286.376 -1.453 20 0 CAADMP CC[N@H+]1CCO[C@@H](C(=O)NCC[NH2+][C@@H](C)C(=O)NC)C1 ZINC001151740490 779815213 /nfs/dbraw/zinc/81/52/13/779815213.db2.gz UQHDZBMPJUFLDG-WDEREUQCSA-N 2 1 286.376 -1.453 20 0 CAADMP CC[N@@H+]1CCO[C@H](C(=O)NCC[NH2+]CC(=O)NC2CC2)C1 ZINC001151748695 779815459 /nfs/dbraw/zinc/81/54/59/779815459.db2.gz ICTOBBUIIJLHAH-LBPRGKRZSA-N 2 1 298.387 -1.309 20 0 CAADMP CC[N@H+]1CCO[C@H](C(=O)NCC[NH2+]CC(=O)NC2CC2)C1 ZINC001151748695 779815464 /nfs/dbraw/zinc/81/54/64/779815464.db2.gz ICTOBBUIIJLHAH-LBPRGKRZSA-N 2 1 298.387 -1.309 20 0 CAADMP CC[N@H+]1CCO[C@H](C(=O)NCC[NH2+]CCCO)C1 ZINC001151740424 779815760 /nfs/dbraw/zinc/81/57/60/779815760.db2.gz STNNYFMWANJNFW-NSHDSACASA-N 2 1 259.350 -1.205 20 0 CAADMP CC[N@@H+]1CCO[C@H](C(=O)NCC[NH2+]CCCO)C1 ZINC001151740424 779815755 /nfs/dbraw/zinc/81/57/55/779815755.db2.gz STNNYFMWANJNFW-NSHDSACASA-N 2 1 259.350 -1.205 20 0 CAADMP CC[N@@H+]1CCO[C@H](C(=O)NCC[NH2+]C[C@@H](C)O)C1 ZINC001151738975 779816026 /nfs/dbraw/zinc/81/60/26/779816026.db2.gz JJEYCUOOUQPJTF-MNOVXSKESA-N 2 1 259.350 -1.206 20 0 CAADMP CC[N@H+]1CCO[C@H](C(=O)NCC[NH2+]C[C@@H](C)O)C1 ZINC001151738975 779816030 /nfs/dbraw/zinc/81/60/30/779816030.db2.gz JJEYCUOOUQPJTF-MNOVXSKESA-N 2 1 259.350 -1.206 20 0 CAADMP CC[N@@H+]1CCO[C@H](C(=O)NCC[NH2+][C@@H]2CCCNC2=O)C1 ZINC001151739336 779816260 /nfs/dbraw/zinc/81/62/60/779816260.db2.gz KYWNPLRUQVNHCO-NEPJUHHUSA-N 2 1 298.387 -1.309 20 0 CAADMP CC[N@H+]1CCO[C@H](C(=O)NCC[NH2+][C@@H]2CCCNC2=O)C1 ZINC001151739336 779816268 /nfs/dbraw/zinc/81/62/68/779816268.db2.gz KYWNPLRUQVNHCO-NEPJUHHUSA-N 2 1 298.387 -1.309 20 0 CAADMP CC(C)[N@@H+](C)CC(=O)NCC[NH2+][C@H](C)C(=O)NC(N)=O ZINC001152445258 779823972 /nfs/dbraw/zinc/82/39/72/779823972.db2.gz FSPLSCSVAYEDDV-SECBINFHSA-N 2 1 287.364 -1.384 20 0 CAADMP CC(C)[N@@H+](C)CC(=O)NCC[NH2+][C@@H]1CCC(=O)NC1=O ZINC001152426079 779824267 /nfs/dbraw/zinc/82/42/67/779824267.db2.gz CGPMFYHNYJSXCL-SNVBAGLBSA-N 2 1 284.360 -1.162 20 0 CAADMP C[N@H+]1CCO[C@@H](C(=O)NCCC[NH2+]CCCO)C1 ZINC001156124876 779882952 /nfs/dbraw/zinc/88/29/52/779882952.db2.gz AJBVDYUCDDOWQN-LLVKDONJSA-N 2 1 259.350 -1.205 20 0 CAADMP C[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+][C@@H]1CCC(=O)NC1=O ZINC001155795527 779877236 /nfs/dbraw/zinc/87/72/36/779877236.db2.gz HSBBDQUTDBTOSZ-MNOVXSKESA-N 2 1 296.371 -1.018 20 0 CAADMP C[C@H]([NH2+]CCCNC(=O)[C@H]1CCC[N@H+]1C)C(=O)NC(N)=O ZINC001155821917 779877620 /nfs/dbraw/zinc/87/76/20/779877620.db2.gz FDNLZGMJZISAFO-VHSXEESVSA-N 2 1 299.375 -1.240 20 0 CAADMP C[N@@H+]1CCO[C@@H](C(=O)NCCC[NH2+]CCCO)C1 ZINC001156124876 779882948 /nfs/dbraw/zinc/88/29/48/779882948.db2.gz AJBVDYUCDDOWQN-LLVKDONJSA-N 2 1 259.350 -1.205 20 0 CAADMP C[N@@H+]1CCO[C@H](C(=O)NCCC[NH2+]CCCO)C1 ZINC001156124877 779883050 /nfs/dbraw/zinc/88/30/50/779883050.db2.gz AJBVDYUCDDOWQN-NSHDSACASA-N 2 1 259.350 -1.205 20 0 CAADMP C[N@H+]1CCO[C@H](C(=O)NCCC[NH2+]CCCO)C1 ZINC001156124877 779883055 /nfs/dbraw/zinc/88/30/55/779883055.db2.gz AJBVDYUCDDOWQN-NSHDSACASA-N 2 1 259.350 -1.205 20 0 CAADMP C[N@@H+]1CCO[C@@H](C(=O)NCCC[NH2+]CC(=O)N2CCC2)C1 ZINC001156146477 779884719 /nfs/dbraw/zinc/88/47/19/779884719.db2.gz ZIXDEWIMVZVMIQ-GFCCVEGCSA-N 2 1 298.387 -1.355 20 0 CAADMP C[N@H+]1CCO[C@@H](C(=O)NCCC[NH2+]CC(=O)N2CCC2)C1 ZINC001156146477 779884722 /nfs/dbraw/zinc/88/47/22/779884722.db2.gz ZIXDEWIMVZVMIQ-GFCCVEGCSA-N 2 1 298.387 -1.355 20 0 CAADMP CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H]1C[N@@H+](C)CCN1C ZINC001157335783 779899608 /nfs/dbraw/zinc/89/96/08/779899608.db2.gz JVOBQPNEPDCGJO-NWDGAFQWSA-N 2 1 299.419 -1.408 20 0 CAADMP CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001157323176 779899974 /nfs/dbraw/zinc/89/99/74/779899974.db2.gz CQBMQCJDJJNHGE-WDEREUQCSA-N 2 1 286.376 -1.323 20 0 CAADMP CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001157323176 779899976 /nfs/dbraw/zinc/89/99/76/779899976.db2.gz CQBMQCJDJJNHGE-WDEREUQCSA-N 2 1 286.376 -1.323 20 0 CAADMP CNC(=O)[C@H](CCCC[NH3+])NC(=O)c1[nH]nc2c1C[NH2+]C2 ZINC001157354612 779900889 /nfs/dbraw/zinc/90/08/89/779900889.db2.gz GVNOAACFVDCRRM-VIFPVBQESA-N 2 1 294.359 -1.014 20 0 CAADMP Cc1cc(N(C(N)=[NH2+])C(=O)[C@@]23C[NH2+]C[C@H]2CCN3)n[nH]1 ZINC001157439379 779903078 /nfs/dbraw/zinc/90/30/78/779903078.db2.gz HQMFOQNMTJWOTB-PRHODGIISA-N 2 1 277.332 -1.104 20 0 CAADMP Cc1cc(N(C(N)=[NH2+])C(=O)[C@@]23C[NH2+]C[C@@H]2CCN3)n[nH]1 ZINC001157439380 779903120 /nfs/dbraw/zinc/90/31/20/779903120.db2.gz HQMFOQNMTJWOTB-QPUJVOFHSA-N 2 1 277.332 -1.104 20 0 CAADMP Cc1cc(N(C(N)=[NH2+])C(=O)[C@@H]2C[NH2+]CCN2)n[nH]1 ZINC001157440045 779903288 /nfs/dbraw/zinc/90/32/88/779903288.db2.gz RAJVYPQPRGGNFU-ZETCQYMHSA-N 2 1 251.294 -1.494 20 0 CAADMP CN(C[C@@H]1C[NH2+]CCO1)C(=O)[C@@H]([NH3+])Cc1c[nH]cn1 ZINC001157715345 779910610 /nfs/dbraw/zinc/91/06/10/779910610.db2.gz DRQUIXLMXZDJRX-QWRGUYRKSA-N 2 1 267.333 -1.274 20 0 CAADMP CN(C[C@@H]1C[NH2+]CCO1)C(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H](N)C2 ZINC001157715550 779910772 /nfs/dbraw/zinc/91/07/72/779910772.db2.gz GNUNZTBHWCUIJP-WGBDABJCSA-N 2 1 268.361 -1.345 20 0 CAADMP CCNC(=O)CN(C)C(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001157679680 779910919 /nfs/dbraw/zinc/91/09/19/779910919.db2.gz VACGQZQCWZAQAG-NSHDSACASA-N 2 1 285.392 -1.669 20 0 CAADMP CN(C[C@H]1C[NH2+]CCO1)C(=O)[C@@H](N)CN1CCC([NH3+])CC1 ZINC001157721387 779912075 /nfs/dbraw/zinc/91/20/75/779912075.db2.gz XIDIBUXKHVBURG-OLZOCXBDSA-N 2 1 299.419 -1.816 20 0 CAADMP CN(C[C@H]1C[NH2+]CCO1)C(=O)[C@H](N)CN1CCC([NH3+])CC1 ZINC001157721384 779912330 /nfs/dbraw/zinc/91/23/30/779912330.db2.gz XIDIBUXKHVBURG-CHWSQXEVSA-N 2 1 299.419 -1.816 20 0 CAADMP O=C(C[NH2+]C1CC[NH2+]CC1)N1CC[C@H](O)[C@H](CO)C1 ZINC001157933508 779917582 /nfs/dbraw/zinc/91/75/82/779917582.db2.gz ARCBKONVWMOWQC-JQWIXIFHSA-N 2 1 271.361 -1.470 20 0 CAADMP O=C(C[NH2+]C1CC[NH2+]CC1)N1CC[C@@H](CO)[C@@H](O)C1 ZINC001157905867 779917640 /nfs/dbraw/zinc/91/76/40/779917640.db2.gz XKCMFJFXYZIEQY-JQWIXIFHSA-N 2 1 271.361 -1.470 20 0 CAADMP O=C(C[NH2+]C1CC[NH2+]CC1)N1CC[C@H](CO)[C@@H](O)C1 ZINC001157905868 779917993 /nfs/dbraw/zinc/91/79/93/779917993.db2.gz XKCMFJFXYZIEQY-PWSUYJOCSA-N 2 1 271.361 -1.470 20 0 CAADMP C[C@@]1(CO)CCN(C(=O)C[NH2+]C2CC[NH2+]CC2)C[C@@H]1O ZINC001157943939 779919587 /nfs/dbraw/zinc/91/95/87/779919587.db2.gz HIYSKXCAEHYNQV-JSGCOSHPSA-N 2 1 285.388 -1.080 20 0 CAADMP C[C@]1(CO)CCN(C(=O)C[NH2+]C2CC[NH2+]CC2)C[C@@H]1O ZINC001157943938 779920250 /nfs/dbraw/zinc/92/02/50/779920250.db2.gz HIYSKXCAEHYNQV-GXTWGEPZSA-N 2 1 285.388 -1.080 20 0 CAADMP CCOC(=O)[C@H]1CNCCN1C(=O)C[NH2+]C1CC[NH2+]CC1 ZINC001157997618 779923838 /nfs/dbraw/zinc/92/38/38/779923838.db2.gz AURGAIWZFGBXKO-GFCCVEGCSA-N 2 1 298.387 -1.309 20 0 CAADMP CCOC(=O)[C@@H]1CNCCN1C(=O)C[NH2+]C1CC[NH2+]CC1 ZINC001157997619 779924096 /nfs/dbraw/zinc/92/40/96/779924096.db2.gz AURGAIWZFGBXKO-LBPRGKRZSA-N 2 1 298.387 -1.309 20 0 CAADMP CS(=O)(=O)N1CCN(C(=O)[C@@H]([NH3+])CC[NH3+])CC1 ZINC001160432525 779958720 /nfs/dbraw/zinc/95/87/20/779958720.db2.gz ZIAPODPGCYSPNQ-QMMMGPOBSA-N 2 1 264.351 -2.234 20 0 CAADMP [NH3+]CCCNCC(=O)N1CCOC2(CC[NH2+]CC2)C1 ZINC001158076531 779925559 /nfs/dbraw/zinc/92/55/59/779925559.db2.gz IIKAOBSNORQRON-UHFFFAOYSA-N 2 1 270.377 -1.094 20 0 CAADMP CC(=O)OC[C@H]([NH3+])C(=O)N1CC(=O)NC[C@]12CC[NH2+]C2 ZINC001158092167 779925977 /nfs/dbraw/zinc/92/59/77/779925977.db2.gz LLFAZJMANSPVIX-JOYOIKCWSA-N 2 1 284.316 -2.433 20 0 CAADMP N[C@@H]1C[NH2+][C@H](C(=O)N2CCOC3(CC[NH2+]CC3)C2)C1 ZINC001158077375 779926013 /nfs/dbraw/zinc/92/60/13/779926013.db2.gz UMKKTFMDPIKAEI-QWRGUYRKSA-N 2 1 268.361 -1.343 20 0 CAADMP COC(=O)[C@@H]([NH3+])CCC(=O)N1CC(=O)NC[C@@]12CC[NH2+]C2 ZINC001158091970 779926332 /nfs/dbraw/zinc/92/63/32/779926332.db2.gz KYCXZQTYHPVYIU-ZANVPECISA-N 2 1 298.343 -2.043 20 0 CAADMP [NH3+][C@H](Cc1c[nH]cn1)C(=O)N1CC(=O)NC[C@]12CC[NH2+]C2 ZINC001158091991 779926392 /nfs/dbraw/zinc/92/63/92/779926392.db2.gz LANIRYISEVHIIY-ZWNOBZJWSA-N 2 1 292.343 -2.030 20 0 CAADMP [NH3+][C@@H](Cc1c[nH]cn1)C(=O)N1CC(=O)NC[C@@]12CC[NH2+]C2 ZINC001158091982 779926537 /nfs/dbraw/zinc/92/65/37/779926537.db2.gz LANIRYISEVHIIY-GWCFXTLKSA-N 2 1 292.343 -2.030 20 0 CAADMP O=C([C@@H]1COC[NH2+]1)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1 ZINC001158112178 779927005 /nfs/dbraw/zinc/92/70/05/779927005.db2.gz WQKJUINKLVRMCL-TVQRCGJNSA-N 2 1 280.328 -2.130 20 0 CAADMP O=C([C@@H]1COC[NH2+]1)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1 ZINC001158112183 779927460 /nfs/dbraw/zinc/92/74/60/779927460.db2.gz WQKJUINKLVRMCL-ZANVPECISA-N 2 1 280.328 -2.130 20 0 CAADMP [NH3+]CCCNCC(=O)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1 ZINC001158119887 779927857 /nfs/dbraw/zinc/92/78/57/779927857.db2.gz IMIHWUJBUDOXFC-AWEZNQCLSA-N 2 1 295.387 -2.137 20 0 CAADMP [NH3+]CC[C@H]([NH3+])C(=O)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1 ZINC001158119445 779928328 /nfs/dbraw/zinc/92/83/28/779928328.db2.gz HAOUEUZSAUVNKP-ZANVPECISA-N 3 1 281.360 -2.399 20 0 CAADMP [NH3+]CC[C@H]([NH3+])C(=O)N1CCC2(CC1)COCC(=O)N2 ZINC001158326638 779932190 /nfs/dbraw/zinc/93/21/90/779932190.db2.gz JHBMHCZPWPTYIU-VIFPVBQESA-N 2 1 270.333 -1.830 20 0 CAADMP N[C@@H](CN1CCC([NH3+])CC1)C(=O)N1C[C@@H]2CC[NH2+][C@@H]2C1 ZINC001158306942 779932857 /nfs/dbraw/zinc/93/28/57/779932857.db2.gz YBAOBIJIWQSQPI-WCFLWFBJSA-N 2 1 281.404 -1.443 20 0 CAADMP NC(=O)[C@H](CO)Nc1nc(N2CCC([NH3+])CC2)cc[nH+]1 ZINC001158441925 779935002 /nfs/dbraw/zinc/93/50/02/779935002.db2.gz AOPJWNQTSWVUME-VIFPVBQESA-N 2 1 280.332 -1.338 20 0 CAADMP C[C@@H]1[C@H](C(=O)NCCC[NH2+]CC(N)=O)CC[N@H+]1C ZINC001158428696 779935172 /nfs/dbraw/zinc/93/51/72/779935172.db2.gz PCSPIMIJAOOTNV-NXEZZACHSA-N 2 1 256.350 -1.092 20 0 CAADMP NC(=O)C[NH2+]CCCNC(=O)[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001158487008 779936591 /nfs/dbraw/zinc/93/65/91/779936591.db2.gz UYGNSHLCBTXQBE-QWRGUYRKSA-N 2 1 284.360 -1.569 20 0 CAADMP NC(=O)C[NH2+]CCCNC(=O)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001158487007 779936892 /nfs/dbraw/zinc/93/68/92/779936892.db2.gz UYGNSHLCBTXQBE-MNOVXSKESA-N 2 1 284.360 -1.569 20 0 CAADMP O=C(NCCC[NH2+]CCO)[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001158505696 779936901 /nfs/dbraw/zinc/93/69/01/779936901.db2.gz FZHGZOXZOGNEFL-NWDGAFQWSA-N 2 1 271.361 -1.062 20 0 CAADMP O=C([C@@H]1COC[NH2+]1)N1CC[C@@]23C[NH2+]C[C@@H](C[C@@H]2C1)O3 ZINC001158534512 779936958 /nfs/dbraw/zinc/93/69/58/779936958.db2.gz TUEDZQRUFQVSJM-HNCHTBHHSA-N 2 1 267.329 -1.088 20 0 CAADMP CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)[C@@H]([NH3+])CC[NH3+] ZINC001158497910 779936987 /nfs/dbraw/zinc/93/69/87/779936987.db2.gz JATGJZDJFMFQBR-XWLWVQCSSA-N 3 1 284.360 -1.586 20 0 CAADMP CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)[C@@H]1C[C@@H](N)C[NH2+]1 ZINC001158498547 779937028 /nfs/dbraw/zinc/93/70/28/779937028.db2.gz PXXIFRPDSKFYHA-KZZRWZIVSA-N 2 1 296.371 -1.572 20 0 CAADMP CN1CCO[C@H]2CN(C(=O)C[NH2+]C3CC[NH2+]CC3)C[C@H]21 ZINC001158802963 779939910 /nfs/dbraw/zinc/93/99/10/779939910.db2.gz CTJJDMXUEHGVFG-OLZOCXBDSA-N 2 1 282.388 -1.131 20 0 CAADMP CNC(=O)C[NH+]1CCC(NC(=O)[C@@H](C)C[NH3+])CC1 ZINC000054338889 779941550 /nfs/dbraw/zinc/94/15/50/779941550.db2.gz CCPWAWQFQKUECX-VIFPVBQESA-N 2 1 256.350 -1.092 20 0 CAADMP Cc1noc([C@]23COC[C@H]2CN(C(=O)[C@@H]([NH3+])CC[NH3+])C3)n1 ZINC001159470713 779949004 /nfs/dbraw/zinc/94/90/04/779949004.db2.gz AFESGUVUWVHLEK-GBIKHYSHSA-N 2 1 295.343 -1.219 20 0 CAADMP CN(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCN2C(=O)C[C@H](O)C[NH3+] ZINC001159930819 779952613 /nfs/dbraw/zinc/95/26/13/779952613.db2.gz XYARYMHQLVCCLJ-RWMBFGLXSA-N 2 1 284.404 -1.067 20 0 CAADMP CN(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCN2C(=O)C[C@H](O)C[NH3+] ZINC001159930819 779952616 /nfs/dbraw/zinc/95/26/16/779952616.db2.gz XYARYMHQLVCCLJ-RWMBFGLXSA-N 2 1 284.404 -1.067 20 0 CAADMP C[NH+](C)[C@@H](Cn1cccn1)C(=O)NCCC[NH2+]CCO ZINC001159882871 779952682 /nfs/dbraw/zinc/95/26/82/779952682.db2.gz JTBJZWREXJNCCR-LBPRGKRZSA-N 2 1 283.376 -1.099 20 0 CAADMP CN(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCN2C(=O)[C@]1(N)CC[NH2+]C1 ZINC001159930045 779952703 /nfs/dbraw/zinc/95/27/03/779952703.db2.gz PPAGAEAUQITVRG-GUTXKFCHSA-N 2 1 295.431 -1.086 20 0 CAADMP CN(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCN2C(=O)[C@]1(N)CC[NH2+]C1 ZINC001159930045 779952712 /nfs/dbraw/zinc/95/27/12/779952712.db2.gz PPAGAEAUQITVRG-GUTXKFCHSA-N 2 1 295.431 -1.086 20 0 CAADMP CN(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCN2C(=O)[C@H]1C[NH2+]C[C@@H]1N ZINC001159930908 779953288 /nfs/dbraw/zinc/95/32/88/779953288.db2.gz YYDOOKUJRWZYAJ-XDQVBPFNSA-N 2 1 295.431 -1.230 20 0 CAADMP CN(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCN2C(=O)[C@H]1C[NH2+]C[C@@H]1N ZINC001159930908 779953290 /nfs/dbraw/zinc/95/32/90/779953290.db2.gz YYDOOKUJRWZYAJ-XDQVBPFNSA-N 2 1 295.431 -1.230 20 0 CAADMP N[C@H]1C[NH2+]C[C@@H]1C(=O)N1C[C@@H]2C[N@H+](CC3CC3)C[C@H](C1)O2 ZINC001160155829 779955425 /nfs/dbraw/zinc/95/54/25/779955425.db2.gz LWCNBGSNGKKBAG-CRWXNKLISA-N 2 1 294.399 -1.145 20 0 CAADMP O=C([C@@H]1C[NH2+]CCN1)N1C[C@@H]2C[N@H+](CC3CC3)C[C@H](C1)O2 ZINC001160156479 779955450 /nfs/dbraw/zinc/95/54/50/779955450.db2.gz QDGQBMKRRZJFOK-MJBXVCDLSA-N 2 1 294.399 -1.131 20 0 CAADMP CC(=O)N1CC(=O)NC[C@@]12CCN(C(=O)[C@@H]([NH3+])CC[NH3+])C2 ZINC001160171732 779955465 /nfs/dbraw/zinc/95/54/65/779955465.db2.gz QLPIAGYXMBGBLO-GXFFZTMASA-N 2 1 297.359 -2.388 20 0 CAADMP N[C@@H](C[NH3+])C(=O)N1C[C@@H]2C[N@H+](CC3CC3)C[C@H](C1)O2 ZINC001160156972 779955549 /nfs/dbraw/zinc/95/55/49/779955549.db2.gz REWIHRALRJNCHM-TUAOUCFPSA-N 2 1 268.361 -1.406 20 0 CAADMP [NH3+]CCNCC(=O)N1C[C@@H]2C[N@H+](CC3CC3)C[C@H](C1)O2 ZINC001160156253 779955803 /nfs/dbraw/zinc/95/58/03/779955803.db2.gz OTGOMBDWNKMTAO-BETUJISGSA-N 2 1 282.388 -1.144 20 0 CAADMP O=C([C@@H]1C[NH2+]C[C@H]1O)N1C[C@@H]2C[N@H+](CC3CC3)C[C@H](C1)O2 ZINC001160156475 779955857 /nfs/dbraw/zinc/95/58/57/779955857.db2.gz QBSRNNFHMFTARA-XJFOESAGSA-N 2 1 295.383 -1.112 20 0 CAADMP O=C([C@H]1C[NH2+]C[C@@H]1O)N1C[C@@H]2C[N@H+](CC3CC3)C[C@H](C1)O2 ZINC001160156468 779956012 /nfs/dbraw/zinc/95/60/12/779956012.db2.gz QBSRNNFHMFTARA-CRWXNKLISA-N 2 1 295.383 -1.112 20 0 CAADMP [NH3+]CC[C@H]([NH3+])C(=O)N1CCN(CC(=O)N2CCCC2)CC1 ZINC001160484212 779962182 /nfs/dbraw/zinc/96/21/82/779962182.db2.gz TVRXWJUGFGQQME-LBPRGKRZSA-N 2 1 297.403 -1.571 20 0 CAADMP CC1(C)C(=O)NCCN1C(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001160477663 779962330 /nfs/dbraw/zinc/96/23/30/779962330.db2.gz ASRKVKNPRPEDSM-LLVKDONJSA-N 2 1 297.403 -1.526 20 0 CAADMP NC(=O)[C@@H]1CCN(C(=O)C[NH2+]C2CC[NH2+]CC2)C1 ZINC001160549211 779967152 /nfs/dbraw/zinc/96/71/52/779967152.db2.gz NUSZHVSXRLNGNN-SECBINFHSA-N 2 1 254.334 -1.338 20 0 CAADMP CCOC(=O)[C@@H]1CN(C(=O)[C@@H]([NH3+])CC[NH3+])CCO1 ZINC001160596456 779968184 /nfs/dbraw/zinc/96/81/84/779968184.db2.gz PHONDGJQVJGXHQ-IUCAKERBSA-N 2 1 259.306 -1.547 20 0 CAADMP COC(=O)C[C@H]1CN(C(=O)[C@@H]([NH3+])CC[NH3+])CCO1 ZINC001160595544 779968230 /nfs/dbraw/zinc/96/82/30/779968230.db2.gz FBSANTVTPPZURF-IUCAKERBSA-N 2 1 259.306 -1.547 20 0 CAADMP N[C@H](CN1CCC([NH3+])CC1)C(=O)N1CC[C@@H]([NH3+])[C@@H](F)C1 ZINC001160650203 779973677 /nfs/dbraw/zinc/97/36/77/779973677.db2.gz SXENOBQJNVBZAS-QJPTWQEYSA-N 2 1 287.383 -1.366 20 0 CAADMP CC(=O)OC[C@H]([NH3+])C(=O)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC001160703839 779976491 /nfs/dbraw/zinc/97/64/91/779976491.db2.gz FUNWQJQXIDIXDE-AXFHLTTASA-N 2 1 255.318 -1.103 20 0 CAADMP C[N@@H+]1C[C@H]2CN(C(=O)[C@H]([NH3+])CCCNC(N)=O)C[C@H]2C1 ZINC001160704377 779976571 /nfs/dbraw/zinc/97/65/71/779976571.db2.gz JUHWCPMGBRKABX-OUAUKWLOSA-N 2 1 283.376 -1.218 20 0 CAADMP CC1(C)CN(C2CN(C(=O)[C@@H]([NH3+])CC[NH3+])C2)CCO1 ZINC001160663246 779976695 /nfs/dbraw/zinc/97/66/95/779976695.db2.gz KSRUQKIKPGENOC-NSHDSACASA-N 2 1 270.377 -1.016 20 0 CAADMP C[N@@H+]1C[C@H]2CN(C(=O)[C@@]34C[NH2+]C[C@@H]3CCN4)C[C@H]2C1 ZINC001160704567 779978008 /nfs/dbraw/zinc/97/80/08/779978008.db2.gz LVRKWAWRKSLCKO-KZVDOYCCSA-N 2 1 264.373 -1.042 20 0 CAADMP C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3C[C@H]4C[NH2+]C[C@H]4N3)C[C@H]2C1 ZINC001160705381 779978118 /nfs/dbraw/zinc/97/81/18/779978118.db2.gz WWHXBBWMARVTMA-IEECTRCBSA-N 2 1 264.373 -1.044 20 0 CAADMP C[N@@H+]1C[C@H]2CN(C(=O)[C@H]([NH3+])CN3CCC([NH3+])CC3)C[C@H]2C1 ZINC001160704651 779978231 /nfs/dbraw/zinc/97/82/31/779978231.db2.gz MQIRKGWJNIFSKK-MBNYWOFBSA-N 3 1 295.431 -1.243 20 0 CAADMP C[N@H+]1C[C@H]2CN(C(=O)[C@H](N)CN3CCC([NH3+])CC3)C[C@H]2C1 ZINC001160704651 779978238 /nfs/dbraw/zinc/97/82/38/779978238.db2.gz MQIRKGWJNIFSKK-MBNYWOFBSA-N 2 1 295.431 -1.243 20 0 CAADMP C[N@@H+]1C[C@H]2CN(C(=O)[C@H](N)CN3CCC([NH3+])CC3)C[C@H]2C1 ZINC001160704651 779978240 /nfs/dbraw/zinc/97/82/40/779978240.db2.gz MQIRKGWJNIFSKK-MBNYWOFBSA-N 2 1 295.431 -1.243 20 0 CAADMP C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3C[NH2+]CC34C[NH2+]C4)C[C@H]2C1 ZINC001160705631 779978254 /nfs/dbraw/zinc/97/82/54/779978254.db2.gz YAZAHESRHYGGPV-TUAOUCFPSA-N 3 1 264.373 -1.185 20 0 CAADMP C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC001160705163 779978319 /nfs/dbraw/zinc/97/83/19/779978319.db2.gz TVDBIOICHWPBQI-MMWGEVLESA-N 2 1 284.360 -2.169 20 0 CAADMP C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]([NH3+])CN3CCC([NH3+])CC3)C[C@H]2C1 ZINC001160704657 779978397 /nfs/dbraw/zinc/97/83/97/779978397.db2.gz MQIRKGWJNIFSKK-SCRDCRAPSA-N 3 1 295.431 -1.243 20 0 CAADMP C[N@H+]1C[C@H]2CN(C(=O)[C@@H](N)CN3CCC([NH3+])CC3)C[C@H]2C1 ZINC001160704657 779978404 /nfs/dbraw/zinc/97/84/04/779978404.db2.gz MQIRKGWJNIFSKK-SCRDCRAPSA-N 2 1 295.431 -1.243 20 0 CAADMP C[N@@H+]1C[C@H]2CN(C(=O)[C@@H](N)CN3CCC([NH3+])CC3)C[C@H]2C1 ZINC001160704657 779978408 /nfs/dbraw/zinc/97/84/08/779978408.db2.gz MQIRKGWJNIFSKK-SCRDCRAPSA-N 2 1 295.431 -1.243 20 0 CAADMP C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3COC4(C[NH2+]C4)CN3)C[C@H]2C1 ZINC001160705399 779978614 /nfs/dbraw/zinc/97/86/14/779978614.db2.gz XLAWWHIALAQHBB-TUAOUCFPSA-N 2 1 280.372 -1.663 20 0 CAADMP Nc1ccc[nH+]c1N1CCN(C(=O)[C@H]2C[NH2+]C[C@@H]2O)CC1 ZINC001160826126 779982210 /nfs/dbraw/zinc/98/22/10/779982210.db2.gz SBQPSIBULMRVRK-JQWIXIFHSA-N 2 1 291.355 -1.107 20 0 CAADMP Nc1ccc[nH+]c1N1CCN(C(=O)[C@@H]2C[NH2+]CCN2)CC1 ZINC001160826042 779982314 /nfs/dbraw/zinc/98/23/14/779982314.db2.gz QHUJWADUAAPSPT-LBPRGKRZSA-N 2 1 290.371 -1.126 20 0 CAADMP [NH3+]CC[C@H]([NH3+])C(=O)N1CCN2C(=O)COC[C@@H]2C1 ZINC001160790455 779982533 /nfs/dbraw/zinc/98/25/33/779982533.db2.gz PLXHNUDJUXDNGM-IUCAKERBSA-N 2 1 256.306 -2.268 20 0 CAADMP CCOC(=O)[C@]12CN(C(=O)C3([NH3+])COC3)C[C@H]1C[NH2+]CC2 ZINC001160811147 779982649 /nfs/dbraw/zinc/98/26/49/779982649.db2.gz KRJXDRAKKFHPSO-ZWNOBZJWSA-N 2 1 297.355 -1.285 20 0 CAADMP Nc1ccc[nH+]c1N1CCN(C(=O)[C@H]2C[NH2+]C[C@@H]2N)CC1 ZINC001160826120 779982683 /nfs/dbraw/zinc/98/26/83/779982683.db2.gz RUPFRTFIFCFPQK-JQWIXIFHSA-N 2 1 290.371 -1.141 20 0 CAADMP Nc1ccc[nH+]c1N1CCN(C(=O)CNCC[NH3+])CC1 ZINC001160825699 779982766 /nfs/dbraw/zinc/98/27/66/779982766.db2.gz IRRJJXCJSDZKDO-UHFFFAOYSA-N 2 1 278.360 -1.139 20 0 CAADMP C[NH+](C)C[C@H]1COCCN1C(=O)[C@@H]1COCC[NH2+]1 ZINC001160837601 779983841 /nfs/dbraw/zinc/98/38/41/779983841.db2.gz CDGGXHYIAMKLMB-QWRGUYRKSA-N 2 1 257.334 -1.236 20 0 CAADMP C[C@H]1CN(C)C(=O)CN1C(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001160941962 779987682 /nfs/dbraw/zinc/98/76/82/779987682.db2.gz QMOBSNUHRQAZEL-CMPLNLGQSA-N 2 1 297.403 -1.574 20 0 CAADMP O=C([C@@H]1COCC[NH2+]1)N1CC(O)([C@@H]2CCCC[NH2+]2)C1 ZINC001161009170 779989069 /nfs/dbraw/zinc/98/90/69/779989069.db2.gz TUPONPJYOROQPX-QWRGUYRKSA-N 2 1 269.345 -1.310 20 0 CAADMP C[C@@H]1CN(C(=O)[C@H](N)CN2CCC([NH3+])CC2)CC[NH2+]1 ZINC001161020055 779990395 /nfs/dbraw/zinc/99/03/95/779990395.db2.gz LTIXJNMRWPLDPK-ZYHUDNBSSA-N 2 1 269.393 -1.443 20 0 CAADMP C[N@H+]1CCC[C@@H]2CN(C(=O)[C@@H]3COC4(C[NH2+]C4)CN3)C[C@@H]21 ZINC001161082875 779992522 /nfs/dbraw/zinc/99/25/22/779992522.db2.gz PZAWAHNVAVTDIN-AGIUHOORSA-N 2 1 294.399 -1.131 20 0 CAADMP CN(CCO)C(=O)[C@H]1C[N@@H+](C)CC2(CC[NH2+]CC2)O1 ZINC001161107167 779997236 /nfs/dbraw/zinc/99/72/36/779997236.db2.gz BBHBEEJNFHPPOD-LLVKDONJSA-N 2 1 271.361 -1.110 20 0 CAADMP COC(=O)[C@]1(N)CCN(C(=O)C[NH2+]C2CC[NH2+]CC2)C1 ZINC001161137526 779997570 /nfs/dbraw/zinc/99/75/70/779997570.db2.gz FSFBCEPHTAUBTP-ZDUSSCGKSA-N 2 1 284.360 -1.569 20 0 CAADMP CCOC(=O)CN(CCC[NH3+])C(=O)[C@@H]1C[C@H](N)C[NH2+]1 ZINC001161158660 779999953 /nfs/dbraw/zinc/99/99/53/779999953.db2.gz ZKJKPLOTMVWRBI-UWVGGRQHSA-N 2 1 272.349 -1.584 20 0 CAADMP [NH3+]CC[C@H]([NH3+])C(=O)N1Cc2ccnn2CC[C@H]1CO ZINC001161171498 780000498 /nfs/dbraw/zinc/00/04/98/780000498.db2.gz LSWNANIALKKOQD-QWRGUYRKSA-N 2 1 267.333 -1.348 20 0 CAADMP CN(C(=O)[C@@H](N)CN1CCC([NH3+])CC1)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001161220696 780001522 /nfs/dbraw/zinc/00/15/22/780001522.db2.gz GHHDTCLDRUZSRL-QNWHQSFQSA-N 2 1 281.404 -1.587 20 0 CAADMP CC(C)(O)CC[NH+]1CCN(C(=O)[C@]2(N)CC[NH2+]C2)CC1 ZINC001161175695 780001782 /nfs/dbraw/zinc/00/17/82/780001782.db2.gz NUSMCCIDOUKATH-AWEZNQCLSA-N 2 1 284.404 -1.018 20 0 CAADMP COC(=O)[C@@H]([NH3+])CCC(=O)N(C)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001161218947 780001818 /nfs/dbraw/zinc/00/18/18/780001818.db2.gz MFNCQRVUQMWKHG-QCBRBAQYSA-N 2 1 255.318 -1.057 20 0 CAADMP COC(=O)[C@H]1CN(C)CCN1C(=O)C[NH2+]C1CC[NH2+]CC1 ZINC001161237494 780003845 /nfs/dbraw/zinc/00/38/45/780003845.db2.gz KVEGCMHHFFVMEQ-GFCCVEGCSA-N 2 1 298.387 -1.356 20 0 CAADMP N[C@@H](CN1CCC([NH3+])CC1)C(=O)N1CC[C@](F)(C[NH3+])C1 ZINC001161245350 780006006 /nfs/dbraw/zinc/00/60/06/780006006.db2.gz CVNVCDYMSATIIW-AAEUAGOBSA-N 2 1 287.383 -1.364 20 0 CAADMP CN(C)C(=O)N[C@@H]1CCCN(C(=O)[C@@H]([NH3+])CC[NH3+])C1 ZINC001161288786 780007372 /nfs/dbraw/zinc/00/73/72/780007372.db2.gz NCKXMLIXEMIZKY-ZJUUUORDSA-N 2 1 271.365 -1.075 20 0 CAADMP [NH3+]C1CC[NH+]([C@H]2CCN(C(=O)[C@@H]3CNC(=O)N3)C2)CC1 ZINC001161376530 780009388 /nfs/dbraw/zinc/00/93/88/780009388.db2.gz AHBOUSHHFDTNIA-QWRGUYRKSA-N 2 1 281.360 -1.308 20 0 CAADMP [NH3+]C[C@H](O)CC(=O)N1CC[C@H]([NH+]2CCC([NH3+])CC2)C1 ZINC001161381272 780009401 /nfs/dbraw/zinc/00/94/01/780009401.db2.gz WZVIPNYGLRJCFA-NWDGAFQWSA-N 3 1 270.377 -1.280 20 0 CAADMP [NH3+]CCSC[C@H]([NH3+])C(=O)N1CC[N@H+]2CC[C@H]2C1 ZINC001161423501 780009623 /nfs/dbraw/zinc/00/96/23/780009623.db2.gz CCBRSHZSCCZBOJ-UWVGGRQHSA-N 3 1 258.391 -1.078 20 0 CAADMP [NH3+]CCSC[C@H]([NH3+])C(=O)N1CCN2CC[C@H]2C1 ZINC001161423501 780009635 /nfs/dbraw/zinc/00/96/35/780009635.db2.gz CCBRSHZSCCZBOJ-UWVGGRQHSA-N 2 1 258.391 -1.078 20 0 CAADMP [NH3+]CCCNCC(=O)N1CC[C@@H](N2CCC([NH3+])CC2)C1 ZINC001161380368 780009834 /nfs/dbraw/zinc/00/98/34/780009834.db2.gz VEOHGNVZSUZIRJ-CYBMUJFWSA-N 2 1 283.420 -1.051 20 0 CAADMP N[C@@]1(C(=O)N2CC[C@H]([NH+]3CCC([NH3+])CC3)C2)CC[NH2+]C1 ZINC001161380855 780010139 /nfs/dbraw/zinc/01/01/39/780010139.db2.gz WECMPQYPNBLDRV-JSGCOSHPSA-N 3 1 281.404 -1.299 20 0 CAADMP [NH3+]C1CC[NH+]([C@H]2CCN(C(=O)[C@H]3C[NH2+]CCN3)C2)CC1 ZINC001161378273 780010446 /nfs/dbraw/zinc/01/04/46/780010446.db2.gz LMSWUYHQBNCMAH-QWHCGFSZSA-N 3 1 281.404 -1.428 20 0 CAADMP [NH3+]CCCNCC(=O)N1CC[C@H](N2CCC([NH3+])CC2)C1 ZINC001161380369 780010886 /nfs/dbraw/zinc/01/08/86/780010886.db2.gz VEOHGNVZSUZIRJ-ZDUSSCGKSA-N 2 1 283.420 -1.051 20 0 CAADMP [NH3+]C1CCN([C@H]2CCN(C(=O)[C@@H]3COC[NH2+]3)C2)CC1 ZINC001161378307 780010910 /nfs/dbraw/zinc/01/09/10/780010910.db2.gz LYPIOZFESTVXQM-RYUDHWBXSA-N 2 1 268.361 -1.044 20 0 CAADMP NC(=O)NCCC[C@@H]([NH3+])C(=O)N1CC[N@H+]2CC[C@H]2C1 ZINC001161420898 780011446 /nfs/dbraw/zinc/01/14/46/780011446.db2.gz LFSJKDPWPGWETF-VHSXEESVSA-N 2 1 269.349 -1.321 20 0 CAADMP O=C(N1CC[N@H+]2CC[C@@H]2C1)[C@@]12C[NH2+]C[C@H]1CCN2 ZINC001161420328 780011528 /nfs/dbraw/zinc/01/15/28/780011528.db2.gz GUJLAQNRSVEGEX-NQBHXWOUSA-N 2 1 250.346 -1.146 20 0 CAADMP O=C([C@@H]1C[C@H]2C[NH2+]C[C@H]2N1)N1CC[N@H+]2CC[C@H]2C1 ZINC001161420600 780012637 /nfs/dbraw/zinc/01/26/37/780012637.db2.gz ILSRGTVQWZUMFI-FIQHERPVSA-N 2 1 250.346 -1.147 20 0 CAADMP NC(=O)NCCC[C@@H]([NH3+])C(=O)N1CC[N@H+]2CC[C@@H]2C1 ZINC001161420897 780012944 /nfs/dbraw/zinc/01/29/44/780012944.db2.gz LFSJKDPWPGWETF-NXEZZACHSA-N 2 1 269.349 -1.321 20 0 CAADMP C[NH+](C)CCN(C(=O)[C@@H]1C[C@H](N)C[NH2+]1)[C@@H]1CCC[NH2+]C1 ZINC001161448516 780013723 /nfs/dbraw/zinc/01/37/23/780013723.db2.gz DMFVNBXFIIJJSB-XQQFMLRXSA-N 3 1 283.420 -1.182 20 0 CAADMP C[NH+](C)CCN(C(=O)[C@@H]1C[C@@H](N)C[NH2+]1)[C@H]1CCC[NH2+]C1 ZINC001161444177 780013929 /nfs/dbraw/zinc/01/39/29/780013929.db2.gz DMFVNBXFIIJJSB-AGIUHOORSA-N 3 1 283.420 -1.182 20 0 CAADMP [NH3+]CC(=O)N1CCC[C@H]1C(=O)N1CC[N@H+]2CC[C@H]2C1 ZINC001161424111 780014163 /nfs/dbraw/zinc/01/41/63/780014163.db2.gz YZPXEFIPQIQLKU-QWRGUYRKSA-N 2 1 266.345 -1.147 20 0 CAADMP C[NH+](C)CCN(C(=O)[C@@H]1C[C@@H](N)C[NH2+]1)[C@@H]1CCC[NH2+]C1 ZINC001161444178 780014389 /nfs/dbraw/zinc/01/43/89/780014389.db2.gz DMFVNBXFIIJJSB-UPJWGTAASA-N 3 1 283.420 -1.182 20 0 CAADMP COC(=O)[C@@]12CC[NH2+][C@H]1CN(C(=O)[C@@H]1COCC[NH2+]1)CC2 ZINC001161476904 780015240 /nfs/dbraw/zinc/01/52/40/780015240.db2.gz CNEQROHYOGUKEL-COPLHBTASA-N 2 1 297.355 -1.272 20 0 CAADMP COC(=O)[C@@]12CC[NH2+][C@H]1CN(C(=O)[C@@H]1C[C@H](N)C[NH2+]1)CC2 ZINC001161476452 780015282 /nfs/dbraw/zinc/01/52/82/780015282.db2.gz AXJFYPHJGCYICU-AYGWYOGXSA-N 2 1 296.371 -1.571 20 0 CAADMP COC(=O)[C@@]12CC[NH2+][C@@H]1CN(C(=O)[C@@H]([NH3+])CC[NH3+])CC2 ZINC001161477368 780015292 /nfs/dbraw/zinc/01/52/92/780015292.db2.gz HKBZZGLMZZHLKG-OPQQBVKSSA-N 3 1 284.360 -1.584 20 0 CAADMP COC(=O)[C@]12CC[NH2+][C@@H]1CN(C(=O)CNCCC[NH3+])CC2 ZINC001161476596 780015308 /nfs/dbraw/zinc/01/53/08/780015308.db2.gz BIVPLVOIMCEFJT-RISCZKNCSA-N 2 1 298.387 -1.322 20 0 CAADMP COC(=O)[C@]12CC[NH2+][C@H]1CN(C(=O)[C@@H]([NH3+])CC[NH3+])CC2 ZINC001161477076 780016072 /nfs/dbraw/zinc/01/60/72/780016072.db2.gz HKBZZGLMZZHLKG-KWBADKCTSA-N 3 1 284.360 -1.584 20 0 CAADMP C[N@@H+](C1CN(C(=O)[C@@H]2C[C@H](O)C[NH2+]2)C1)[C@H]1CCOC1 ZINC001161497744 780016575 /nfs/dbraw/zinc/01/65/75/780016575.db2.gz CNWQKQUEMAYLAV-DLOVCJGASA-N 2 1 269.345 -1.359 20 0 CAADMP C[N@@H+](C1CN(C(=O)[C@]2(N)CCC[NH2+]C2)C1)[C@H]1CCOC1 ZINC001161497830 780017674 /nfs/dbraw/zinc/01/76/74/780017674.db2.gz GERXNEVNPOZGGN-FZMZJTMJSA-N 2 1 282.388 -1.001 20 0 CAADMP COC(=O)[C@@H]([NH3+])CCC(=O)N1C[C@H]([NH3+])C2(COC2)C1 ZINC001161500192 780018703 /nfs/dbraw/zinc/01/87/03/780018703.db2.gz KLYLYZKWPOWDSZ-IUCAKERBSA-N 2 1 271.317 -1.547 20 0 CAADMP C[C@@H]1CN(C2CN(C(=O)[C@@H]([NH3+])CC[NH3+])C2)C[C@H](C)O1 ZINC001161498725 780018938 /nfs/dbraw/zinc/01/89/38/780018938.db2.gz LJMGADCHFAQLLJ-UMNHJUIQSA-N 2 1 270.377 -1.018 20 0 CAADMP [NH3+][C@@H](Cc1c[nH]cn1)C(=O)N1C[C@H]([NH3+])C2(COC2)C1 ZINC001161499789 780019240 /nfs/dbraw/zinc/01/92/40/780019240.db2.gz IIHGDHSTJNASPE-UWVGGRQHSA-N 2 1 265.317 -1.534 20 0 CAADMP C[C@@H]1CN(C2CN(C(=O)[C@@H]([NH3+])CC[NH3+])C2)C[C@@H](C)O1 ZINC001161498722 780019406 /nfs/dbraw/zinc/01/94/06/780019406.db2.gz LJMGADCHFAQLLJ-FOGDFJRCSA-N 2 1 270.377 -1.018 20 0 CAADMP [NH3+][C@@H](Cc1c[nH]cn1)C(=O)N1C[C@@H]([NH3+])C2(COC2)C1 ZINC001161499790 780019598 /nfs/dbraw/zinc/01/95/98/780019598.db2.gz IIHGDHSTJNASPE-VHSXEESVSA-N 2 1 265.317 -1.534 20 0 CAADMP [NH3+][C@H]1CN(C(=O)C[NH2+]C2CC[NH2+]CC2)CC12COC2 ZINC001161509362 780020169 /nfs/dbraw/zinc/02/01/69/780020169.db2.gz JGTYVDKCQYEVAO-NSHDSACASA-N 3 1 268.361 -1.486 20 0 CAADMP O=C([C@@H]1C[NH2+]CC12C[NH2+]C2)N1CCNC2(CC2)C1 ZINC001161545079 780020502 /nfs/dbraw/zinc/02/05/02/780020502.db2.gz LKBLWYMOXDBNDZ-JTQLQIEISA-N 2 1 250.346 -1.240 20 0 CAADMP [NH3+]CCSC[C@H]([NH3+])C(=O)N1CCNC2(CC2)C1 ZINC001161550041 780023154 /nfs/dbraw/zinc/02/31/54/780023154.db2.gz AIXKMHDWMWUILS-VIFPVBQESA-N 2 1 258.391 -1.030 20 0 CAADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)[C@H]1C[NH2+]CCO1 ZINC000250358525 780028790 /nfs/dbraw/zinc/02/87/90/780028790.db2.gz AZSAAYLHCSZFET-WDEREUQCSA-N 2 1 256.350 -1.663 20 0 CAADMP CS(=O)(=O)N(CC[NH3+])c1cc2c(nn1)C[NH2+]C2 ZINC001162124367 780030660 /nfs/dbraw/zinc/03/06/60/780030660.db2.gz VKLWXSOZVOICBA-UHFFFAOYSA-N 2 1 257.319 -1.196 20 0 CAADMP [NH3+][C@@H]1NCN(c2ncnc3c2CC[NH2+]CC3)[C@@H]2NCN[C@H]21 ZINC001162436650 780035645 /nfs/dbraw/zinc/03/56/45/780035645.db2.gz OMHHTCQIVDOOHW-LOWVWBTDSA-N 2 1 290.375 -2.338 20 0 CAADMP [NH3+][C@@H]1NCN(c2ncnc3c2CC[NH2+]C3)[C@@H]2NCN[C@H]21 ZINC001162437786 780037331 /nfs/dbraw/zinc/03/73/31/780037331.db2.gz VPDTYCHVGOJJSA-UMNHJUIQSA-N 2 1 276.348 -2.381 20 0 CAADMP [NH3+][C@@H]1NCN(c2ccc3c(n2)CC[NH2+]C3)[C@H]2NCN[C@@H]21 ZINC001162438091 780039294 /nfs/dbraw/zinc/03/92/94/780039294.db2.gz WVAZBYNFTXCYCV-JHJVBQTASA-N 2 1 275.360 -1.776 20 0 CAADMP [NH3+][C@@H]1NCN(c2ccc3c(n2)CC[NH2+]C3)[C@H]2NCN[C@H]21 ZINC001162438094 780039508 /nfs/dbraw/zinc/03/95/08/780039508.db2.gz WVAZBYNFTXCYCV-YNEHKIRRSA-N 2 1 275.360 -1.776 20 0 CAADMP [NH3+][C@@H]1NCN(c2ccc3c(n2)CC[NH2+]C3)[C@@H]2NCN[C@H]21 ZINC001162438093 780039819 /nfs/dbraw/zinc/03/98/19/780039819.db2.gz WVAZBYNFTXCYCV-XQQFMLRXSA-N 2 1 275.360 -1.776 20 0 CAADMP [NH3+]Cc1cc(N2CN[C@H]([NH3+])[C@H]3NCN[C@@H]32)ncn1 ZINC001162440753 780044783 /nfs/dbraw/zinc/04/47/83/780044783.db2.gz UWSOETABPFWWJN-KXUCPTDWSA-N 2 1 250.310 -2.568 20 0 CAADMP [NH3+]Cc1cc(N2CN[C@H]([NH3+])[C@@H]3NCN[C@@H]32)ncn1 ZINC001162440754 780044971 /nfs/dbraw/zinc/04/49/71/780044971.db2.gz UWSOETABPFWWJN-LPEHRKFASA-N 2 1 250.310 -2.568 20 0 CAADMP Cc1cnc(N2CN[C@H]([NH3+])[C@@H]3NCN[C@@H]32)nc1C1C[NH2+]C1 ZINC001162442878 780045805 /nfs/dbraw/zinc/04/58/05/780045805.db2.gz DTLOLBFLLAFLIX-SDDRHHMPSA-N 2 1 290.375 -2.031 20 0 CAADMP [NH3+][C@@H]1NCN(c2cc(C3C[NH2+]C3)ncn2)[C@H]2NCN[C@@H]21 ZINC001162445012 780047851 /nfs/dbraw/zinc/04/78/51/780047851.db2.gz RTJLISUQHMZANY-IJLUTSLNSA-N 2 1 276.348 -2.340 20 0 CAADMP [NH3+][C@@H]1NCN(c2cc3c(nn2)CC[NH2+]C3)[C@H]2NCN[C@H]21 ZINC001162443933 780048269 /nfs/dbraw/zinc/04/82/69/780048269.db2.gz AUQJIQMBTQNCEJ-QJPTWQEYSA-N 2 1 276.348 -2.381 20 0 CAADMP [NH3+][C@@H]1NCN(c2cc(C3C[NH2+]C3)ncn2)[C@@H]2NCN[C@@H]21 ZINC001162445017 780048503 /nfs/dbraw/zinc/04/85/03/780048503.db2.gz RTJLISUQHMZANY-UTUOFQBUSA-N 2 1 276.348 -2.340 20 0 CAADMP [NH3+][C@@H]1NCN(c2cc3c(nn2)CC[NH2+]C3)[C@@H]2NCN[C@H]21 ZINC001162443934 780048519 /nfs/dbraw/zinc/04/85/19/780048519.db2.gz AUQJIQMBTQNCEJ-TUAOUCFPSA-N 2 1 276.348 -2.381 20 0 CAADMP Cc1cnc(N2CN[C@H]([NH3+])[C@@H]3NCN[C@H]32)c(C[NH3+])c1 ZINC001162445016 780048650 /nfs/dbraw/zinc/04/86/50/780048650.db2.gz DMDKCYHIUMRBRG-NHCYSSNCSA-N 2 1 263.349 -1.654 20 0 CAADMP Cc1c[nH+]cn1CC(=O)NCCC[NH2+]CC(=O)NC(N)=O ZINC001162605498 780053512 /nfs/dbraw/zinc/05/35/12/780053512.db2.gz CIUIFQQGRSWMCD-UHFFFAOYSA-N 2 1 296.331 -1.518 20 0 CAADMP C[N@@H+]1CCO[C@H](C(=O)NCCC2(C[NH2+]CC(N)=O)CC2)C1 ZINC001163939532 780066129 /nfs/dbraw/zinc/06/61/29/780066129.db2.gz CAMCGQUMLZSHQF-NSHDSACASA-N 2 1 298.387 -1.322 20 0 CAADMP C[N@H+]1CCO[C@H](C(=O)NCCC2(C[NH2+]CC(N)=O)CC2)C1 ZINC001163939532 780066135 /nfs/dbraw/zinc/06/61/35/780066135.db2.gz CAMCGQUMLZSHQF-NSHDSACASA-N 2 1 298.387 -1.322 20 0 CAADMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCCC[NH2+]CC(=O)NC(N)=O ZINC001166694936 780092542 /nfs/dbraw/zinc/09/25/42/780092542.db2.gz YUWHJLOHORJRAB-VHSXEESVSA-N 2 1 299.375 -1.525 20 0 CAADMP NC(=O)[C@H]1CN(c2ncnc3c2CC[NH2+]CC3)CC[NH2+]1 ZINC001166723738 780094366 /nfs/dbraw/zinc/09/43/66/780094366.db2.gz KCHQGWKDDIXDBI-LLVKDONJSA-N 2 1 276.344 -1.572 20 0 CAADMP NC(=O)[C@H]1CN(c2cc(C3C[NH2+]C3)ncn2)CC[NH2+]1 ZINC001166725050 780096571 /nfs/dbraw/zinc/09/65/71/780096571.db2.gz ARECWRKBAHFVOS-SNVBAGLBSA-N 2 1 262.317 -1.573 20 0 CAADMP Cn1cc(C[N@H+]2CCC[C@@](O)(C[NH3+])CC2)c(=O)n(C)c1=O ZINC001205242570 780105083 /nfs/dbraw/zinc/10/50/83/780105083.db2.gz YEDBBIJEXUFJMC-AWEZNQCLSA-N 2 1 296.371 -1.240 20 0 CAADMP [NH3+][C@@H]1CN(Cc2cnc3n2CC[NH2+]C3)CC[C@H]1O ZINC001206109942 780109769 /nfs/dbraw/zinc/10/97/69/780109769.db2.gz JJUZBZMPCDEXFB-GHMZBOCLSA-N 2 1 251.334 -1.120 20 0 CAADMP CC1(C)O[C@H]([C@H](O)CO)[C@H](C[N@@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)O1 ZINC001206463931 780110363 /nfs/dbraw/zinc/11/03/63/780110363.db2.gz HEKZBKJRYVBTNW-MTVMDMGHSA-N 2 1 290.360 -1.889 20 0 CAADMP CC1(C)O[C@H]([C@H](O)CO)[C@H](C[N@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)O1 ZINC001206463931 780110370 /nfs/dbraw/zinc/11/03/70/780110370.db2.gz HEKZBKJRYVBTNW-MTVMDMGHSA-N 2 1 290.360 -1.889 20 0 CAADMP CC1(C)O[C@@H]2O[C@@H](C[N@@H+]3C[C@@H](O)[C@@H](C[NH3+])C3)[C@@H](O)[C@@H]2O1 ZINC001206454743 780110440 /nfs/dbraw/zinc/11/04/40/780110440.db2.gz GCKWAMFFWZQLTA-IWTNGPMKSA-N 2 1 288.344 -1.525 20 0 CAADMP CC1(C)O[C@@H]2O[C@@H](C[N@H+]3C[C@@H](O)[C@@H](C[NH3+])C3)[C@@H](O)[C@@H]2O1 ZINC001206454743 780110447 /nfs/dbraw/zinc/11/04/47/780110447.db2.gz GCKWAMFFWZQLTA-IWTNGPMKSA-N 2 1 288.344 -1.525 20 0 CAADMP [NH3+]C[C@H]1CN(Cc2cn3c(n2)C[NH2+]CC3)C[C@H]1O ZINC001206463927 780110772 /nfs/dbraw/zinc/11/07/72/780110772.db2.gz GZWHQODUYPGZKK-GXSJLCMTSA-N 2 1 251.334 -1.262 20 0 CAADMP CS(=O)(=O)N1CCC(C[N@H+]2C[C@H](O)[C@@H](C[NH3+])C2)CC1 ZINC001206506875 780110812 /nfs/dbraw/zinc/11/08/12/780110812.db2.gz UVPWXOAJELCADQ-RYUDHWBXSA-N 2 1 291.417 -1.091 20 0 CAADMP CC1(C)O[C@H]([C@H](O)CO)[C@H](C[N@@H+]2C[C@H](O)[C@@H](C[NH3+])C2)O1 ZINC001206512039 780110903 /nfs/dbraw/zinc/11/09/03/780110903.db2.gz HEKZBKJRYVBTNW-HHHUOAJASA-N 2 1 290.360 -1.889 20 0 CAADMP CC1(C)O[C@H]([C@H](O)CO)[C@H](C[N@H+]2C[C@H](O)[C@@H](C[NH3+])C2)O1 ZINC001206512039 780110908 /nfs/dbraw/zinc/11/09/08/780110908.db2.gz HEKZBKJRYVBTNW-HHHUOAJASA-N 2 1 290.360 -1.889 20 0 CAADMP CNC(=O)C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001207734833 780119927 /nfs/dbraw/zinc/11/99/27/780119927.db2.gz OYLCKLODJQWRPE-NEPJUHHUSA-N 2 1 298.387 -1.356 20 0 CAADMP CNC(=O)C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001207734833 780119930 /nfs/dbraw/zinc/11/99/30/780119930.db2.gz OYLCKLODJQWRPE-NEPJUHHUSA-N 2 1 298.387 -1.356 20 0 CAADMP CNC(=O)C[NH2+][C@H]1CCCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001207734835 780120420 /nfs/dbraw/zinc/12/04/20/780120420.db2.gz OYLCKLODJQWRPE-RYUDHWBXSA-N 2 1 298.387 -1.356 20 0 CAADMP CNC(=O)C[NH2+][C@H]1CCCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001207734835 780120428 /nfs/dbraw/zinc/12/04/28/780120428.db2.gz OYLCKLODJQWRPE-RYUDHWBXSA-N 2 1 298.387 -1.356 20 0 CAADMP CO[C@@H]1C[N@@H+](CCO)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001213730800 780146848 /nfs/dbraw/zinc/14/68/48/780146848.db2.gz YNUGNOCMATVOIY-VXGBXAGGSA-N 2 1 289.376 -1.628 20 0 CAADMP CNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1C ZINC001214386833 780151789 /nfs/dbraw/zinc/15/17/89/780151789.db2.gz NPFPSQKRISDBKO-IJLUTSLNSA-N 2 1 298.387 -1.501 20 0 CAADMP CNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1C ZINC001214386833 780151796 /nfs/dbraw/zinc/15/17/96/780151796.db2.gz NPFPSQKRISDBKO-IJLUTSLNSA-N 2 1 298.387 -1.501 20 0 CAADMP O=S(=O)(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)C1C[NH2+]C1 ZINC000405138039 780159162 /nfs/dbraw/zinc/15/91/62/780159162.db2.gz KKWVDSSUCUWOME-NXEZZACHSA-N 2 1 275.374 -1.259 20 0 CAADMP O=S(=O)(NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)C1C[NH2+]C1 ZINC000405138042 780159983 /nfs/dbraw/zinc/15/99/83/780159983.db2.gz KKWVDSSUCUWOME-ZJUUUORDSA-N 2 1 275.374 -1.259 20 0 CAADMP NC(=O)c1[nH]ncc1NC(=O)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001218563511 780170928 /nfs/dbraw/zinc/17/09/28/780170928.db2.gz CADIMUCBBSOWRQ-ZCFIWIBFSA-N 2 1 264.289 -1.744 20 0 CAADMP C[NH+]1CCN(c2cc(NC(=O)C[C@H](O)C[NH3+])ncn2)CC1 ZINC001218571949 780171305 /nfs/dbraw/zinc/17/13/05/780171305.db2.gz CXTVJXZLHDUATR-JTQLQIEISA-N 2 1 294.359 -1.123 20 0 CAADMP C[NH+]1CCN(c2cc(NC(=O)C[C@@H](O)C[NH3+])ncn2)CC1 ZINC001218571950 780171763 /nfs/dbraw/zinc/17/17/63/780171763.db2.gz CXTVJXZLHDUATR-SNVBAGLBSA-N 2 1 294.359 -1.123 20 0 CAADMP C[NH+]1CCN(c2cc(NC(=O)[C@@H](N)CC[NH3+])ncn2)CC1 ZINC001218572225 780172103 /nfs/dbraw/zinc/17/21/03/780172103.db2.gz HBSYFZKPYKMSOQ-JTQLQIEISA-N 2 1 293.375 -1.157 20 0 CAADMP C[NH+]1CCN(c2cc(NC(=O)CNCC[NH3+])ncn2)CC1 ZINC001218572601 780172352 /nfs/dbraw/zinc/17/23/52/780172352.db2.gz JWWXHPWCXQOCFR-UHFFFAOYSA-N 2 1 293.375 -1.285 20 0 CAADMP NC(=O)c1[nH]ncc1NC(=O)[C@@H]([NH3+])CSCC[NH3+] ZINC001218565606 780172376 /nfs/dbraw/zinc/17/23/76/780172376.db2.gz WKYNKQWRGWFDRO-YFKPBYRVSA-N 2 1 272.334 -1.534 20 0 CAADMP C[NH+]1CCN(c2ncc(NC(=O)C[C@@H](O)C[NH3+])cn2)CC1 ZINC001218579315 780173318 /nfs/dbraw/zinc/17/33/18/780173318.db2.gz BWFYNTCCINXRHD-LLVKDONJSA-N 2 1 294.359 -1.123 20 0 CAADMP Nc1cn(C(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)nc1N ZINC001218626947 780176489 /nfs/dbraw/zinc/17/64/89/780176489.db2.gz NZQSMFJFCWMVEO-VIFPVBQESA-N 2 1 267.337 -1.562 20 0 CAADMP Nc1cn(C(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)ccc1=[NH2+] ZINC001218693478 780181419 /nfs/dbraw/zinc/18/14/19/780181419.db2.gz MCJVBYUPMBYKCL-LBPRGKRZSA-N 3 1 278.360 -1.060 20 0 CAADMP C[C@H]1CC[C@H](NC(=O)[C@@H](N)CN2CCC([NH3+])CC2)C[NH2+]1 ZINC001219589476 780234813 /nfs/dbraw/zinc/23/48/13/780234813.db2.gz RCXDTOWEHWCIHW-DRZSPHRISA-N 2 1 283.420 -1.007 20 0 CAADMP O=C(NC[C@]1(O)CC[NH2+]C[C@@H]1F)[C@@H]1[NH2+]CCS1 ZINC001219617629 780236958 /nfs/dbraw/zinc/23/69/58/780236958.db2.gz NCAUXRQDBFHPLY-FXBDTBDDSA-N 2 1 263.338 -1.172 20 0 CAADMP [NH3+]CCC[C@@H]([NH3+])C(=O)NC[C@]1(O)CCNC[C@@H]1F ZINC001219617975 780240479 /nfs/dbraw/zinc/24/04/79/780240479.db2.gz STVRFBOTJDNRQE-WCABBAIRSA-N 2 1 262.329 -1.769 20 0 CAADMP [NH3+]CCC[C@H]([NH3+])C(=O)NC[C@]1(O)CCNC[C@@H]1F ZINC001219617974 780240533 /nfs/dbraw/zinc/24/05/33/780240533.db2.gz STVRFBOTJDNRQE-ATZCPNFKSA-N 2 1 262.329 -1.769 20 0 CAADMP O=C(NC[C@]1(O)CC[NH2+]C[C@@H]1F)[C@@H]1COCC[NH2+]1 ZINC001219619626 780241507 /nfs/dbraw/zinc/24/15/07/780241507.db2.gz LUYCMADQTCDYDG-ATZCPNFKSA-N 2 1 261.297 -1.847 20 0 CAADMP [NH3+]CCCNCC(=O)NC[C@]1(O)CC[NH2+]C[C@@H]1F ZINC001219619935 780242068 /nfs/dbraw/zinc/24/20/68/780242068.db2.gz RQECIVYFNJCUDO-GXSJLCMTSA-N 2 1 262.329 -1.897 20 0 CAADMP C[C@]1(C(=O)NC[C@]2(O)CC[NH2+]C[C@@H]2F)COCC[NH2+]1 ZINC001219619883 780242214 /nfs/dbraw/zinc/24/22/14/780242214.db2.gz RDHGWSBKQMBBQS-MVWJERBFSA-N 2 1 275.324 -1.456 20 0 CAADMP N[C@@H](CN1CCC([NH3+])CC1)C(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC001219638582 780245374 /nfs/dbraw/zinc/24/53/74/780245374.db2.gz NLTXATWSZYJADW-DLOVCJGASA-N 2 1 287.383 -1.447 20 0 CAADMP C[NH2+]CCC(=O)NCCS(=O)(=O)N1CC[NH2+]CC1 ZINC001219678134 780246927 /nfs/dbraw/zinc/24/69/27/780246927.db2.gz DOHWPVCBULXSSF-UHFFFAOYSA-N 2 1 278.378 -2.053 20 0 CAADMP [NH3+][C@@H](Cc1c[nH]cn1)C(=O)NCCC1(O)C[NH2+]C1 ZINC001219695255 780249921 /nfs/dbraw/zinc/24/99/21/780249921.db2.gz SKOGGJONBJKWIK-VIFPVBQESA-N 2 1 253.306 -1.880 20 0 CAADMP O=C(C[NH2+]C1CC[NH2+]CC1)NC[C@@H]1CC2(C[NH2+]C2)CO1 ZINC001219736964 780253792 /nfs/dbraw/zinc/25/37/92/780253792.db2.gz LOMLJRGPLIADDF-LBPRGKRZSA-N 3 1 282.388 -1.177 20 0 CAADMP N[C@@H](CN1CCC([NH3+])CC1)C(=O)N[C@@H]1COC[C@@H]1[NH3+] ZINC001219720289 780253815 /nfs/dbraw/zinc/25/38/15/780253815.db2.gz HYSOEPLZMXZIMI-GARJFASQSA-N 2 1 271.365 -2.421 20 0 CAADMP N[C@@H]1C[NH2+][C@H](C(=O)NC[C@@H]2CC3(C[NH2+]C3)CO2)C1 ZINC001219739945 780254134 /nfs/dbraw/zinc/25/41/34/780254134.db2.gz YZKMHYOGVPJUKL-GUBZILKMSA-N 2 1 254.334 -1.830 20 0 CAADMP N[C@@H]1C[NH2+][C@H](C(=O)NC[C@H]2CC3(C[NH2+]C3)CO2)C1 ZINC001219739944 780255937 /nfs/dbraw/zinc/25/59/37/780255937.db2.gz YZKMHYOGVPJUKL-AEJSXWLSSA-N 2 1 254.334 -1.830 20 0 CAADMP O=C(NCc1nnc2n1CCC[NH2+]C2)[C@@H]1COC[NH2+]1 ZINC001219747449 780256506 /nfs/dbraw/zinc/25/65/06/780256506.db2.gz VQICGBAWXKUYDP-QMMMGPOBSA-N 2 1 266.305 -1.667 20 0 CAADMP Nc1nc(=O)c(F)cn1C(=O)[C@@H]([NH3+])CSCC[NH3+] ZINC001219741933 780257064 /nfs/dbraw/zinc/25/70/64/780257064.db2.gz XZURYUCIGZDFMW-LURJTMIESA-N 2 1 275.309 -1.133 20 0 CAADMP N[C@]1(C(=O)NC[C@H]2C[C@H]3CNCC[N@H+]3C2)CCC[NH2+]C1 ZINC001219766627 780258268 /nfs/dbraw/zinc/25/82/68/780258268.db2.gz YJMPOBZWNOZGHY-MBNYWOFBSA-N 2 1 281.404 -1.523 20 0 CAADMP N[C@]1(C(=O)NC[C@H]2C[C@H]3C[NH2+]CCN3C2)CCC[NH2+]C1 ZINC001219766627 780258272 /nfs/dbraw/zinc/25/82/72/780258272.db2.gz YJMPOBZWNOZGHY-MBNYWOFBSA-N 2 1 281.404 -1.523 20 0 CAADMP O=C(CNC1CC[NH2+]CC1)NC[C@H]1C[C@H]2CNCC[N@H+]2C1 ZINC001219764763 780258472 /nfs/dbraw/zinc/25/84/72/780258472.db2.gz LEDWAGUCVCFAKK-OCCSQVGLSA-N 2 1 295.431 -1.262 20 0 CAADMP O=C(CNC1CC[NH2+]CC1)NC[C@H]1C[C@H]2C[NH2+]CCN2C1 ZINC001219764763 780258478 /nfs/dbraw/zinc/25/84/78/780258478.db2.gz LEDWAGUCVCFAKK-OCCSQVGLSA-N 2 1 295.431 -1.262 20 0 CAADMP [NH3+]CCC[C@H]([NH3+])C(=O)NC[C@H]1C[C@H]2CNCC[N@H+]2C1 ZINC001219765016 780258734 /nfs/dbraw/zinc/25/87/34/780258734.db2.gz RVLVVWGACFHMCW-WOPDTQHZSA-N 3 1 269.393 -1.538 20 0 CAADMP [NH3+]CCC[C@H]([NH3+])C(=O)NC[C@H]1C[C@H]2C[NH2+]CCN2C1 ZINC001219765016 780258738 /nfs/dbraw/zinc/25/87/38/780258738.db2.gz RVLVVWGACFHMCW-WOPDTQHZSA-N 3 1 269.393 -1.538 20 0 CAADMP O=C(NC[C@H]1C[C@H]2CNCC[N@H+]2C1)[C@@]12C[NH2+]C[C@@H]1CCN2 ZINC001219765088 780258980 /nfs/dbraw/zinc/25/89/80/780258980.db2.gz ULXFRBHHSRYMJY-UKTARXLSSA-N 2 1 293.415 -1.652 20 0 CAADMP O=C(NC[C@H]1C[C@H]2C[NH2+]CCN2C1)[C@@]12C[NH2+]C[C@@H]1CCN2 ZINC001219765088 780258989 /nfs/dbraw/zinc/25/89/89/780258989.db2.gz ULXFRBHHSRYMJY-UKTARXLSSA-N 2 1 293.415 -1.652 20 0 CAADMP [NH3+]C[C@@H](O)CC(=O)NC[C@H]1C[C@H]2CNCC[N@H+]2C1 ZINC001219764315 780259100 /nfs/dbraw/zinc/25/91/00/780259100.db2.gz CYIMFYSCQTXAJT-VWYCJHECSA-N 2 1 256.350 -1.894 20 0 CAADMP [NH3+]C[C@@H](O)CC(=O)NC[C@H]1C[C@H]2C[NH2+]CCN2C1 ZINC001219764315 780259106 /nfs/dbraw/zinc/25/91/06/780259106.db2.gz CYIMFYSCQTXAJT-VWYCJHECSA-N 2 1 256.350 -1.894 20 0 CAADMP O=C(NC[C@H]1C[C@H]2CNCC[N@H+]2C1)[C@@H]1C[C@H](O)C[NH2+]1 ZINC001219764603 780259233 /nfs/dbraw/zinc/25/92/33/780259233.db2.gz ITDVHIVDRQEPTH-RHYQMDGZSA-N 2 1 268.361 -1.881 20 0 CAADMP O=C(NC[C@H]1C[C@H]2C[NH2+]CCN2C1)[C@@H]1C[C@H](O)C[NH2+]1 ZINC001219764603 780259240 /nfs/dbraw/zinc/25/92/40/780259240.db2.gz ITDVHIVDRQEPTH-RHYQMDGZSA-N 2 1 268.361 -1.881 20 0 CAADMP O=C(CN1CC[NH2+]CC1)NC[C@H]1C[C@H]2CNCC[N@H+]2C1 ZINC001219764921 780259294 /nfs/dbraw/zinc/25/92/94/780259294.db2.gz PHSZBAUKJLPBOF-OLZOCXBDSA-N 2 1 281.404 -1.699 20 0 CAADMP O=C(CN1CC[NH2+]CC1)NC[C@H]1C[C@H]2C[NH2+]CCN2C1 ZINC001219764921 780259301 /nfs/dbraw/zinc/25/93/01/780259301.db2.gz PHSZBAUKJLPBOF-OLZOCXBDSA-N 2 1 281.404 -1.699 20 0 CAADMP O=C(NC[C@H]1C[C@H]2CNCC[N@H+]2C1)[C@H]1[NH2+]CC[C@H]1O ZINC001219765938 780259353 /nfs/dbraw/zinc/25/93/53/780259353.db2.gz IVAQCGZKLRTVME-KXNHARMFSA-N 2 1 268.361 -1.881 20 0 CAADMP O=C(NC[C@H]1C[C@H]2C[NH2+]CCN2C1)[C@H]1[NH2+]CC[C@H]1O ZINC001219765938 780259360 /nfs/dbraw/zinc/25/93/60/780259360.db2.gz IVAQCGZKLRTVME-KXNHARMFSA-N 2 1 268.361 -1.881 20 0 CAADMP O=C(NC[C@H]1C[C@H]2CNCC[N@H+]2C1)[C@@H]1C[NH2+]CCN1 ZINC001219765864 780259513 /nfs/dbraw/zinc/25/95/13/780259513.db2.gz FUGYXYVEVSQCAV-WOPDTQHZSA-N 2 1 267.377 -2.042 20 0 CAADMP O=C(NC[C@H]1C[C@H]2C[NH2+]CCN2C1)[C@@H]1C[NH2+]CCN1 ZINC001219765864 780259517 /nfs/dbraw/zinc/25/95/17/780259517.db2.gz FUGYXYVEVSQCAV-WOPDTQHZSA-N 2 1 267.377 -2.042 20 0 CAADMP O=C(C[C@@H]1COCC[NH2+]1)NC[C@H]1C[C@H]2CNCC[N@H+]2C1 ZINC001219766118 780259678 /nfs/dbraw/zinc/25/96/78/780259678.db2.gz MNYPMLHGKNPXEJ-UPJWGTAASA-N 2 1 282.388 -1.225 20 0 CAADMP O=C(C[C@@H]1COCC[NH2+]1)NC[C@H]1C[C@H]2C[NH2+]CCN2C1 ZINC001219766118 780259681 /nfs/dbraw/zinc/25/96/81/780259681.db2.gz MNYPMLHGKNPXEJ-UPJWGTAASA-N 2 1 282.388 -1.225 20 0 CAADMP C[NH+](C)C1(C(=O)N[C@@H]2C[N@@H+](CCO)C[C@@H]2O)CCC1 ZINC001219798659 780260817 /nfs/dbraw/zinc/26/08/17/780260817.db2.gz QCPHMUSNLJIFLL-MNOVXSKESA-N 2 1 271.361 -1.376 20 0 CAADMP [NH3+]CC[C@H]([NH3+])C(=O)NCC[C@H]1CCOC12C[NH2+]C2 ZINC001219799739 780260848 /nfs/dbraw/zinc/26/08/48/780260848.db2.gz BMUXBSJYCNXOSV-UWVGGRQHSA-N 3 1 256.350 -1.453 20 0 CAADMP O=C(NCC[C@H]1CCOC12C[NH2+]C2)[C@@H]1COCC[NH2+]1 ZINC001219799854 780260872 /nfs/dbraw/zinc/26/08/72/780260872.db2.gz DXPRSZXXGBHXGO-QWRGUYRKSA-N 2 1 269.345 -1.140 20 0 CAADMP O=C(NC1CCN(C2CC[NH2+]CC2)CC1)[C@@H]1C[NH2+]CCN1 ZINC001219796416 780260915 /nfs/dbraw/zinc/26/09/15/780260915.db2.gz ZDVAPKBNHKGZLY-AWEZNQCLSA-N 2 1 295.431 -1.120 20 0 CAADMP N[C@@H]1C[NH2+][C@H](C(=O)NCC[C@H]2CCOC23C[NH2+]C3)C1 ZINC001219799730 780260926 /nfs/dbraw/zinc/26/09/26/780260926.db2.gz BISQTPMHVHNBKQ-DCAQKATOSA-N 2 1 268.361 -1.440 20 0 CAADMP N[C@H]1C[NH2+][C@H](C(=O)NCC[C@H]2CCOC23C[NH2+]C3)C1 ZINC001219799729 780261290 /nfs/dbraw/zinc/26/12/90/780261290.db2.gz BISQTPMHVHNBKQ-AXFHLTTASA-N 2 1 268.361 -1.440 20 0 CAADMP N[C@@H]1C[NH2+][C@H](C(=O)NCC[C@@H]2CCOC23C[NH2+]C3)C1 ZINC001219799732 780261467 /nfs/dbraw/zinc/26/14/67/780261467.db2.gz BISQTPMHVHNBKQ-VWYCJHECSA-N 2 1 268.361 -1.440 20 0 CAADMP [NH3+]CC[C@H]([NH3+])C(=O)NCC[C@@H]1CCOC12C[NH2+]C2 ZINC001219799740 780261673 /nfs/dbraw/zinc/26/16/73/780261673.db2.gz BMUXBSJYCNXOSV-ZJUUUORDSA-N 3 1 256.350 -1.453 20 0 CAADMP O=C(NCC[C@H]1CCOC12C[NH2+]C2)[C@@H]1COC[NH2+]1 ZINC001219800434 780262142 /nfs/dbraw/zinc/26/21/42/780262142.db2.gz JWSKOECMMWBKAZ-UWVGGRQHSA-N 2 1 255.318 -1.183 20 0 CAADMP [NH3+]CCSC[C@H]([NH3+])C(=O)NCc1noc2c1CNCC2 ZINC001219811332 780262186 /nfs/dbraw/zinc/26/21/86/780262186.db2.gz PIBURRVZFYAWIM-VIFPVBQESA-N 2 1 299.400 -1.044 20 0 CAADMP C[NH2+]CCC(=O)NCc1cc(=O)n2c(n1)C[NH2+]CCC2 ZINC001219805765 780262474 /nfs/dbraw/zinc/26/24/74/780262474.db2.gz CLWDCVOOBPUJJN-UHFFFAOYSA-N 2 1 279.344 -1.038 20 0 CAADMP O=C(NCc1noc2c1CNCC2)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001219809953 780262755 /nfs/dbraw/zinc/26/27/55/780262755.db2.gz XHAOOBYCQFCPNE-SNVBAGLBSA-N 2 1 291.355 -1.255 20 0 CAADMP [NH3+]C1(C(=O)NCc2cc(=O)n3c(n2)C[NH2+]CCC3)CC1 ZINC001219806468 780262791 /nfs/dbraw/zinc/26/27/91/780262791.db2.gz YAEJCXMSNYJYNV-UHFFFAOYSA-N 2 1 277.328 -1.156 20 0 CAADMP [NH3+]C[C@H](O)CC(=O)NCc1cc(=O)n2c(n1)C[NH2+]CCC2 ZINC001219803213 780263060 /nfs/dbraw/zinc/26/30/60/780263060.db2.gz NRYRQZZDEQJKOL-SNVBAGLBSA-N 2 1 295.343 -1.938 20 0 CAADMP O=C(NCc1cc(=O)n2c(n1)C[NH2+]CCC2)[C@@H]1CC[NH2+]1 ZINC001219806183 780263239 /nfs/dbraw/zinc/26/32/39/780263239.db2.gz MZMLHNITUHHJCB-JTQLQIEISA-N 2 1 277.328 -1.285 20 0 CAADMP COC(=O)[C@@H]([NH3+])CCC(=O)NC[C@]12C[NH2+]C[C@H]1COC2 ZINC001219813400 780263979 /nfs/dbraw/zinc/26/39/79/780263979.db2.gz SECBQNXNRKGTMP-KWBADKCTSA-N 2 1 285.344 -1.381 20 0 CAADMP O=C(C[NH2+]C1CC[NH2+]CC1)NC[C@H]1C[C@@H]2C[NH2+]C[C@@H]2O1 ZINC001219831693 780264117 /nfs/dbraw/zinc/26/41/17/780264117.db2.gz UOJAFKMVXMSMSH-RTXFEEFZSA-N 3 1 282.388 -1.179 20 0 CAADMP [NH3+][C@H](Cc1c[nH]cn1)C(=O)NC[C@]12C[NH2+]C[C@H]1COC2 ZINC001219813101 780264185 /nfs/dbraw/zinc/26/41/85/780264185.db2.gz OAZHNRRFIVNWQB-NDMJEZRESA-N 2 1 279.344 -1.368 20 0 CAADMP O=C(NC[C@H]1C[C@@H]2C[NH2+]C[C@@H]2O1)[C@@H]1COCC[NH2+]1 ZINC001219831790 780265150 /nfs/dbraw/zinc/26/51/50/780265150.db2.gz YLWAJZKXSNBWAZ-ZNSHCXBVSA-N 2 1 255.318 -1.532 20 0 CAADMP [NH3+]CC[C@H]([NH3+])C(=O)NC[C@@H]1CO[C@@]2(C1)C[NH2+]CCOC2 ZINC001219838590 780265606 /nfs/dbraw/zinc/26/56/06/780265606.db2.gz SCCJRYKSSRCVNQ-MDZLAQPJSA-N 3 1 286.376 -1.826 20 0 CAADMP O=C(NC[C@@H]1CO[C@@]2(C1)C[NH2+]CCOC2)[C@@H]1COC[NH2+]1 ZINC001219834934 780266220 /nfs/dbraw/zinc/26/62/20/780266220.db2.gz VGCIVHABRDTUBG-MDZLAQPJSA-N 2 1 285.344 -1.556 20 0 CAADMP N[C@@H]1C[NH2+][C@H](C(=O)NC[C@H]2CO[C@]3(C2)C[NH2+]CCOC3)C1 ZINC001219837063 780266475 /nfs/dbraw/zinc/26/64/75/780266475.db2.gz HCBVEGOOOYRZSM-ZJQBRPOHSA-N 2 1 298.387 -1.813 20 0 CAADMP O=C(NC[C@H]1CO[C@@]2(C1)C[NH2+]CCOC2)[C@@H]1COCC[NH2+]1 ZINC001219839205 780266593 /nfs/dbraw/zinc/26/65/93/780266593.db2.gz YDLDEHCYTJOPME-OBJOEFQTSA-N 2 1 299.371 -1.514 20 0 CAADMP [NH3+][C@@H](Cc1c[nH]cn1)C(=O)N[C@H]1CC[C@@H]2[NH2+]CCO[C@@H]12 ZINC001219847787 780268016 /nfs/dbraw/zinc/26/80/16/780268016.db2.gz SFRUUYAKHNQCLL-FIQHERPVSA-N 2 1 279.344 -1.085 20 0 CAADMP COC(=O)[C@@H]([NH3+])CCC(=O)N[C@H]1CC[C@@H]2[NH2+]CCO[C@@H]12 ZINC001219847354 780268582 /nfs/dbraw/zinc/26/85/82/780268582.db2.gz DVZFAMIRQSYQMU-QFOLPQNPSA-N 2 1 285.344 -1.098 20 0 CAADMP N[C@H]1C[NH2+][C@H](C(=O)NC[C@H]2OC[C@@H]3CC[NH2+]C[C@@H]32)C1 ZINC001219851712 780269328 /nfs/dbraw/zinc/26/93/28/780269328.db2.gz BPCGPYSEXPNRNS-KZZRWZIVSA-N 2 1 268.361 -1.584 20 0 CAADMP [NH3+][C@@H](Cc1c[nH]cn1)C(=O)N[C@H]1CO[C@@H]2C[NH2+]C[C@H]12 ZINC001219854740 780270046 /nfs/dbraw/zinc/27/00/46/780270046.db2.gz SBINAHOXRLNQHN-VPOLOUISSA-N 2 1 265.317 -1.618 20 0 CAADMP O=C(NC[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21)[C@@H]1COCC[NH2+]1 ZINC001219852616 780270271 /nfs/dbraw/zinc/27/02/71/780270271.db2.gz WBYXVKRVYKBDHD-FIQHERPVSA-N 2 1 269.345 -1.285 20 0 CAADMP CC[C@H](C(=O)N[C@@H]1C[N@H+](CCO)C[C@@H]1O)[NH+](C)C ZINC001219869770 780270879 /nfs/dbraw/zinc/27/08/79/780270879.db2.gz SFJIGMQKMIWGTQ-MXWKQRLJSA-N 2 1 259.350 -1.520 20 0 CAADMP CC[C@H](C(=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1O)[NH+](C)C ZINC001219869770 780270883 /nfs/dbraw/zinc/27/08/83/780270883.db2.gz SFJIGMQKMIWGTQ-MXWKQRLJSA-N 2 1 259.350 -1.520 20 0 CAADMP C[N@H+]1C[C@@H](C(=O)NCC[NH3+])OC2(CC[NH2+]CC2)C1 ZINC001219867683 780271607 /nfs/dbraw/zinc/27/16/07/780271607.db2.gz NTPFFJPRJQOCGU-JTQLQIEISA-N 3 1 256.350 -1.486 20 0 CAADMP CN1C[C@@H](C(=O)NCC[NH3+])OC2(CC[NH2+]CC2)C1 ZINC001219867683 780271617 /nfs/dbraw/zinc/27/16/17/780271617.db2.gz NTPFFJPRJQOCGU-JTQLQIEISA-N 2 1 256.350 -1.486 20 0 CAADMP COC(=O)[C@@H](NC(=O)C[NH2+]C1CC[NH2+]CC1)[C@@H](C)O ZINC001219880114 780272456 /nfs/dbraw/zinc/27/24/56/780272456.db2.gz UWGKVTJOSVECFR-KCJUWKMLSA-N 2 1 273.333 -1.633 20 0 CAADMP NC[C@H]([NH3+])c1ccc(C(=O)NCC[NH2+]CCO)cc1 ZINC001219919087 780276851 /nfs/dbraw/zinc/27/68/51/780276851.db2.gz XCPZMGNYIIWWAQ-LBPRGKRZSA-N 2 1 266.345 -1.043 20 0 CAADMP NC[C@@H]([NH3+])c1ccc(C(=O)NCC[NH2+]CCO)cc1 ZINC001219919086 780277380 /nfs/dbraw/zinc/27/73/80/780277380.db2.gz XCPZMGNYIIWWAQ-GFCCVEGCSA-N 2 1 266.345 -1.043 20 0 CAADMP N[C@H](CN1CCC([NH3+])CC1)C(=O)NCC[NH2+]CCO ZINC001219918215 780277673 /nfs/dbraw/zinc/27/76/73/780277673.db2.gz HVUDJZWCRONGQK-LLVKDONJSA-N 2 1 273.381 -2.565 20 0 CAADMP [NH3+]CC[C@H]([NH3+])C(=O)NCCNC(=O)c1ccncc1 ZINC001219938763 780278872 /nfs/dbraw/zinc/27/88/72/780278872.db2.gz CSFVOYKPMJLTFD-JTQLQIEISA-N 2 1 265.317 -1.396 20 0 CAADMP Cc1[nH+]ccn1CCNC(=O)[C@H]1COC2(C[NH2+]C2)CN1 ZINC001219934792 780279355 /nfs/dbraw/zinc/27/93/55/780279355.db2.gz NMERMYMGOGNQKS-LLVKDONJSA-N 2 1 279.344 -1.362 20 0 CAADMP Cc1[nH+]ccn1CCNC(=O)[C@@H]1COC2(C[NH2+]C2)CN1 ZINC001219934793 780279971 /nfs/dbraw/zinc/27/99/71/780279971.db2.gz NMERMYMGOGNQKS-NSHDSACASA-N 2 1 279.344 -1.362 20 0 CAADMP COC(=O)C1(NC(=O)CNCCC[NH3+])CC[NH2+]CC1 ZINC001220001242 780287850 /nfs/dbraw/zinc/28/78/50/780287850.db2.gz MYAWIGUWLGURSR-UHFFFAOYSA-N 2 1 272.349 -1.664 20 0 CAADMP COC(=O)C1(NC(=O)[C@H]([NH3+])Cc2c[nH]cn2)CC[NH2+]CC1 ZINC001219998838 780287920 /nfs/dbraw/zinc/28/79/20/780287920.db2.gz CRULLMDIGZXNKA-SNVBAGLBSA-N 2 1 295.343 -1.309 20 0 CAADMP COC(=O)C1(NC(=O)[C@@H]([NH3+])CC[NH3+])CC[NH2+]CC1 ZINC001220001361 780288072 /nfs/dbraw/zinc/28/80/72/780288072.db2.gz PYDKUOMVUMZMTN-QMMMGPOBSA-N 3 1 258.322 -1.926 20 0 CAADMP N=c1cc(C[NH3+])ncn1C(=O)[C@H]([NH3+])Cc1c[nH]cn1 ZINC001220020360 780291027 /nfs/dbraw/zinc/29/10/27/780291027.db2.gz GDVXZBUONWZJPV-SECBINFHSA-N 2 1 261.289 -1.245 20 0 CAADMP CC(C)[C@](C)(NC(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1)C(N)=O ZINC001220023383 780292514 /nfs/dbraw/zinc/29/25/14/780292514.db2.gz WUFBEOIUWDFBAE-RISCZKNCSA-N 2 1 299.419 -1.247 20 0 CAADMP N=c1cc(C[NH3+])ncn1C(=O)[C@H](N)CN1CCC([NH3+])CC1 ZINC001220020235 780292118 /nfs/dbraw/zinc/29/21/18/780292118.db2.gz BPXYZVYILLMOMP-LLVKDONJSA-N 2 1 293.375 -1.788 20 0 CAADMP COC(=O)[C@@H]([NH3+])CCC(=O)n1cnc(C[NH3+])cc1=N ZINC001220020877 780292867 /nfs/dbraw/zinc/29/28/67/780292867.db2.gz ZBVNEPGLLAZKLO-QMMMGPOBSA-N 2 1 267.289 -1.258 20 0 CAADMP CC(C)[C@@](C)(NC(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1)C(N)=O ZINC001220023381 780293109 /nfs/dbraw/zinc/29/31/09/780293109.db2.gz WUFBEOIUWDFBAE-BXUZGUMPSA-N 2 1 299.419 -1.247 20 0 CAADMP CC(C)(CNC(=O)C[NH2+]C1CC[NH2+]CC1)C(N)=O ZINC001220034162 780295795 /nfs/dbraw/zinc/29/57/95/780295795.db2.gz VTCXQFXWJVZKGL-UHFFFAOYSA-N 2 1 256.350 -1.044 20 0 CAADMP CC(=O)OC[C@H]([NH3+])C(=O)n1ccc(C[NH3+])cc1=N ZINC001220045125 780297124 /nfs/dbraw/zinc/29/71/24/780297124.db2.gz MQRLVHJOARGERX-VIFPVBQESA-N 2 1 252.274 -1.043 20 0 CAADMP CC(=O)OC[C@H]([NH3+])C(=O)n1c(C)ncc(C[NH3+])c1=N ZINC001220043320 780297178 /nfs/dbraw/zinc/29/71/78/780297178.db2.gz NRKQHMGJFUXYJX-VIFPVBQESA-N 2 1 267.289 -1.340 20 0 CAADMP C[NH2+]CCNC(=O)[C@@H]1C[N@@H+](C)CC2(CC[NH2+]CC2)O1 ZINC001220052762 780299125 /nfs/dbraw/zinc/29/91/25/780299125.db2.gz AQRSPKBLGNELJW-NSHDSACASA-N 3 1 270.377 -1.225 20 0 CAADMP C[NH2+]CCNC(=O)[C@@H]1CN(C)CC2(CC[NH2+]CC2)O1 ZINC001220052762 780299134 /nfs/dbraw/zinc/29/91/34/780299134.db2.gz AQRSPKBLGNELJW-NSHDSACASA-N 2 1 270.377 -1.225 20 0 CAADMP C[NH2+]CCCCNC(=O)[C@@H](N)CN1CCC([NH3+])CC1 ZINC001220079366 780300774 /nfs/dbraw/zinc/30/07/74/780300774.db2.gz INNLKKHCGZXTFQ-LBPRGKRZSA-N 2 1 271.409 -1.147 20 0 CAADMP NCC(=O)N1CCC[C@H]1C(=O)N(CCCC[NH3+])C(N)=[NH2+] ZINC001220103125 780302205 /nfs/dbraw/zinc/30/22/05/780302205.db2.gz HJCHOKMUDBIWLU-VIFPVBQESA-N 2 1 284.364 -1.603 20 0 CAADMP COC(=O)[C@@H]([NH3+])CCC(=O)N(CCCC[NH3+])C(N)=[NH2+] ZINC001220101255 780303067 /nfs/dbraw/zinc/30/30/67/780303067.db2.gz FPXOTKCFXXKLDU-QMMMGPOBSA-N 3 1 273.337 -1.272 20 0 CAADMP C[S@](=O)CC[C@H]([NH3+])C(=O)N(CCCC[NH3+])C(N)=[NH2+] ZINC001220103335 780303120 /nfs/dbraw/zinc/30/31/20/780303120.db2.gz ONUTXRBUINJRFS-ASCAZGACSA-N 3 1 277.394 -1.457 20 0 CAADMP N=C(NC(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H](N)C2)SCC[NH3+] ZINC001220106050 780304733 /nfs/dbraw/zinc/30/47/33/780304733.db2.gz ADYQUCMAAFIEOF-XSSZXYGBSA-N 2 1 257.363 -1.049 20 0 CAADMP N[C@H](CN1CCC([NH3+])CC1)C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC001220152163 780312332 /nfs/dbraw/zinc/31/23/32/780312332.db2.gz WXABPYPBHDAMJW-ADEWGFFLSA-N 2 1 269.393 -1.410 20 0 CAADMP N[C@@H](CN1CCC([NH3+])CC1)C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC001220152164 780312647 /nfs/dbraw/zinc/31/26/47/780312647.db2.gz WXABPYPBHDAMJW-WCQGTBRESA-N 2 1 269.393 -1.410 20 0 CAADMP C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC001220159045 780314354 /nfs/dbraw/zinc/31/43/54/780314354.db2.gz LRJFLLWACFIWDB-GUBZILKMSA-N 2 1 272.349 -1.979 20 0 CAADMP C[N@H+]1CCC[C@H](NC(=O)[C@H](N)CN2CCC([NH3+])CC2)C1 ZINC001220159989 780314624 /nfs/dbraw/zinc/31/46/24/780314624.db2.gz UEKDQYAFLJXOQB-QWHCGFSZSA-N 2 1 283.420 -1.053 20 0 CAADMP O=C(C[NH2+]C1CC[NH2+]CC1)N[C@@H]1COCCC12OCCO2 ZINC001220173026 780316050 /nfs/dbraw/zinc/31/60/50/780316050.db2.gz HAHYYNSOFLAJIA-GFCCVEGCSA-N 2 1 299.371 -1.024 20 0 CAADMP O=C(C[NH2+]C1CC[NH2+]CC1)NC1(CCO)COC1 ZINC001220172947 780316065 /nfs/dbraw/zinc/31/60/65/780316065.db2.gz FLSKTYZFNUPOLC-UHFFFAOYSA-N 2 1 257.334 -1.404 20 0 CAADMP [NH3+]CC[C@H]([NH3+])C(=O)NCC1(N2CCCC2)COC1 ZINC001220197436 780318630 /nfs/dbraw/zinc/31/86/30/780318630.db2.gz COHJGHXADNUEOT-JTQLQIEISA-N 2 1 256.350 -1.357 20 0 CAADMP C[C@H](O)C[N@@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H](O)C1 ZINC001220230968 780321521 /nfs/dbraw/zinc/32/15/21/780321521.db2.gz VTQBAOREZTWJFV-TUAOUCFPSA-N 2 1 285.388 -1.130 20 0 CAADMP C[NH+](C)CC1(C(=O)N[C@@H]2C[N@@H+](CCCO)C[C@@H]2O)CC1 ZINC001220228955 780321582 /nfs/dbraw/zinc/32/15/82/780321582.db2.gz GBIVPZDJPAIEEI-NEPJUHHUSA-N 2 1 285.388 -1.128 20 0 CAADMP C[NH+](C)CCCC(=O)N[C@@H]1C[N@@H+](CCCO)C[C@@H]1O ZINC001220234122 780324018 /nfs/dbraw/zinc/32/40/18/780324018.db2.gz VRWLBBYRHKDLFE-NEPJUHHUSA-N 2 1 273.377 -1.128 20 0 CAADMP CN1C[C@H](CNC(=O)C[NH2+]C2CC[NH2+]CC2)CC1=O ZINC001220245567 780324561 /nfs/dbraw/zinc/32/45/61/780324561.db2.gz UDVRCSXYMHMZAB-JTQLQIEISA-N 2 1 268.361 -1.078 20 0 CAADMP C[N@H+]1CCC[C@@H]1CCNC(=O)[C@@H]1COC2(C[NH2+]C2)CN1 ZINC001220252060 780326642 /nfs/dbraw/zinc/32/66/42/780326642.db2.gz NDJNSZHSIBTLLB-NEPJUHHUSA-N 2 1 282.388 -1.083 20 0 CAADMP COC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001220275399 780329625 /nfs/dbraw/zinc/32/96/25/780329625.db2.gz XHCNIVRCJUQFFI-TUAOUCFPSA-N 2 1 289.376 -1.893 20 0 CAADMP N[C@@H](CN1CCC([NH3+])CC1)C(=O)N[C@H]1CC[NH2+]C1 ZINC001220283310 780329666 /nfs/dbraw/zinc/32/96/66/780329666.db2.gz VMBWNAOATXFKLJ-QWRGUYRKSA-N 2 1 255.366 -1.785 20 0 CAADMP CN(CC[NH3+])CCNC(=O)C[NH2+]C1CC[NH2+]CC1 ZINC001220515553 780358092 /nfs/dbraw/zinc/35/80/92/780358092.db2.gz GDGBSESBRXEMTB-UHFFFAOYSA-N 3 1 257.382 -1.665 20 0 CAADMP N[C@H](CN1CCC([NH3+])CC1)C(=O)N[C@H]1CC[NH2+]C1 ZINC001220283325 780329786 /nfs/dbraw/zinc/32/97/86/780329786.db2.gz VMBWNAOATXFKLJ-WDEREUQCSA-N 2 1 255.366 -1.785 20 0 CAADMP C[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CCCO)C[C@@H]1O ZINC001220273407 780330275 /nfs/dbraw/zinc/33/02/75/780330275.db2.gz JNTSDMUUDMZFQO-MNOVXSKESA-N 2 1 259.350 -1.518 20 0 CAADMP C[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CCn2cccn2)C[C@@H]1O ZINC001220273962 780330504 /nfs/dbraw/zinc/33/05/04/780330504.db2.gz YDSTVYZJPXZAJC-OLZOCXBDSA-N 2 1 295.387 -1.004 20 0 CAADMP [NH3+][C@H](C(=O)N[C@@H](CO)Cc1cnc[nH]1)C1CC[NH2+]CC1 ZINC001220291805 780331226 /nfs/dbraw/zinc/33/12/26/780331226.db2.gz YCUCBUSGNFKRJJ-NEPJUHHUSA-N 3 1 281.360 -1.244 20 0 CAADMP O=C(N[C@@H](CO)Cc1cnc[nH]1)[C@H]1C[C@@H](O)C[NH2+]1 ZINC001220292019 780331784 /nfs/dbraw/zinc/33/17/84/780331784.db2.gz ZGMCRPVHDUJRQN-OPRDCNLKSA-N 2 1 254.290 -1.848 20 0 CAADMP [NH3+]CCCC[C@H]([NH3+])C(=O)N[C@@H](CO)Cc1cnc[nH]1 ZINC001220291789 780332018 /nfs/dbraw/zinc/33/20/18/780332018.db2.gz XRYSPWDAFICDES-MNOVXSKESA-N 3 1 269.349 -1.114 20 0 CAADMP O=C(N[C@@H](CO)Cc1cnc[nH]1)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220290772 780332319 /nfs/dbraw/zinc/33/23/19/780332319.db2.gz DMKCNHJVFZODHY-MNOVXSKESA-N 2 1 279.344 -1.762 20 0 CAADMP C[N@H+]1CCCN(CCNC(=O)[C@@H]2C[NH2+]C[C@H]2O)CC1 ZINC001220306224 780332372 /nfs/dbraw/zinc/33/23/72/780332372.db2.gz FCFHKVKXGPQPMY-VXGBXAGGSA-N 2 1 270.377 -1.680 20 0 CAADMP C[N@H+]1CCCN(CCNC(=O)[C@H]2C[C@@H](O)C[NH2+]2)CC1 ZINC001220304313 780333214 /nfs/dbraw/zinc/33/32/14/780333214.db2.gz XTBYKBUIRUAARW-VXGBXAGGSA-N 2 1 270.377 -1.537 20 0 CAADMP C[N@H+]1CCCN(CCNC(=O)[C@@H]([NH3+])CCC[NH3+])CC1 ZINC001220304073 780333258 /nfs/dbraw/zinc/33/32/58/780333258.db2.gz OIBXZRHLLVVZQA-LBPRGKRZSA-N 3 1 271.409 -1.194 20 0 CAADMP C[N@H+]1CCCN(CCNC(=O)[C@@H]2C[NH2+]CCN2)CC1 ZINC001220307485 780333271 /nfs/dbraw/zinc/33/32/71/780333271.db2.gz ZOZRKYGDDBSEEV-LBPRGKRZSA-N 2 1 269.393 -1.699 20 0 CAADMP C[N@H+]1CCCN(CCNC(=O)CNCC[NH3+])CC1 ZINC001220306240 780333284 /nfs/dbraw/zinc/33/32/84/780333284.db2.gz FXRVRROKYRLWBM-UHFFFAOYSA-N 2 1 257.382 -1.712 20 0 CAADMP O=C(NCc1ncn2c1C[NH2+]CCC2)[C@@H]1COCC[NH2+]1 ZINC001220310973 780333354 /nfs/dbraw/zinc/33/33/54/780333354.db2.gz IUXJCAXBAAUNRQ-NSHDSACASA-N 2 1 279.344 -1.019 20 0 CAADMP C[N@H+]1CCCN(CCNC(=O)[C@@]23C[NH2+]C[C@@H]2CCN3)CC1 ZINC001220304196 780333382 /nfs/dbraw/zinc/33/33/82/780333382.db2.gz TZRMLODVIODPHT-DZGCQCFKSA-N 2 1 295.431 -1.308 20 0 CAADMP C[N@H+]1CCCN(CCNC(=O)[C@]2(N)CC[NH2+]C2)CC1 ZINC001220306279 780333408 /nfs/dbraw/zinc/33/34/08/780333408.db2.gz HQBJQRGSZLGSMC-ZDUSSCGKSA-N 2 1 269.393 -1.569 20 0 CAADMP C[N@@H+]1CCCN(CCNC(=O)[C@@H]2COC[NH2+]2)CC1 ZINC001220304001 780333424 /nfs/dbraw/zinc/33/34/24/780333424.db2.gz LOKOZGTWFGNXLK-NSHDSACASA-N 2 1 256.350 -1.314 20 0 CAADMP C[N@H+]1CCCN(CCNC(=O)[C@@H]2COC[NH2+]2)CC1 ZINC001220304001 780333427 /nfs/dbraw/zinc/33/34/27/780333427.db2.gz LOKOZGTWFGNXLK-NSHDSACASA-N 2 1 256.350 -1.314 20 0 CAADMP C[N@H+]1CCCN(CCNC(=O)[C@H]2[NH2+]CC[C@@H]2O)CC1 ZINC001220307190 780334048 /nfs/dbraw/zinc/33/40/48/780334048.db2.gz UDDWFTLUMCVCMC-RYUDHWBXSA-N 2 1 270.377 -1.537 20 0 CAADMP [NH3+]CC[C@H]([NH3+])C(=O)NCc1ncn2c1C[NH2+]CCC2 ZINC001220312232 780334274 /nfs/dbraw/zinc/33/42/74/780334274.db2.gz ZTLQMOCVTADKSE-VIFPVBQESA-N 3 1 266.349 -1.331 20 0 CAADMP O=C(N[C@@H]1CO[C@@]2(C1)CCC[NH2+]C2)[C@@H]1COC[NH2+]1 ZINC001220315846 780335478 /nfs/dbraw/zinc/33/54/78/780335478.db2.gz JKWWGKBPYFIOMS-JBLDHEPKSA-N 2 1 255.318 -1.040 20 0 CAADMP N[C@H]1C[NH2+][C@H](C(=O)N[C@H]2CO[C@]3(C2)CCC[NH2+]C3)C1 ZINC001220320770 780336060 /nfs/dbraw/zinc/33/60/60/780336060.db2.gz PHGARHDRAUHMOF-DCQANWLSSA-N 2 1 268.361 -1.297 20 0 CAADMP N[C@@H]1C[NH2+][C@H](C(=O)N[C@@H]2CO[C@@]3(C2)CCC[NH2+]C3)C1 ZINC001220320773 780336115 /nfs/dbraw/zinc/33/61/15/780336115.db2.gz PHGARHDRAUHMOF-MRBYEJRBSA-N 2 1 268.361 -1.297 20 0 CAADMP N[C@H]1C[NH2+][C@H](C(=O)N[C@H]2CO[C@@]3(C2)CCC[NH2+]C3)C1 ZINC001220320771 780336279 /nfs/dbraw/zinc/33/62/79/780336279.db2.gz PHGARHDRAUHMOF-HNCHTBHHSA-N 2 1 268.361 -1.297 20 0 CAADMP N[C@H]1C[NH2+][C@H](C(=O)N[C@@H]2CO[C@]3(C2)CCC[NH2+]C3)C1 ZINC001220320768 780336387 /nfs/dbraw/zinc/33/63/87/780336387.db2.gz PHGARHDRAUHMOF-BLFANLJRSA-N 2 1 268.361 -1.297 20 0 CAADMP O=C(C[NH2+]C1CC[NH2+]CC1)NC[C@H]1CNC(=O)CO1 ZINC001220317556 780336553 /nfs/dbraw/zinc/33/65/53/780336553.db2.gz ZYFFJBJSISQCTK-JTQLQIEISA-N 2 1 270.333 -2.041 20 0 CAADMP O=C(C[NH2+]C1CC[NH2+]CC1)NC[C@@H]1CNC(=O)CO1 ZINC001220317557 780336581 /nfs/dbraw/zinc/33/65/81/780336581.db2.gz ZYFFJBJSISQCTK-SNVBAGLBSA-N 2 1 270.333 -2.041 20 0 CAADMP [NH3+]CC[C@H]([NH3+])C(=O)N[C@@H]1CO[C@@]2(C1)CCC[NH2+]C2 ZINC001220321487 780336651 /nfs/dbraw/zinc/33/66/51/780336651.db2.gz URMVAKVETPVGJD-JBLDHEPKSA-N 3 1 256.350 -1.310 20 0 CAADMP N[C@H]1C[NH2+][C@H](C(=O)N[C@@H]2CO[C@@]3(C2)CCC[NH2+]C3)C1 ZINC001220320772 780336674 /nfs/dbraw/zinc/33/66/74/780336674.db2.gz PHGARHDRAUHMOF-MPPDQPJWSA-N 2 1 268.361 -1.297 20 0 CAADMP NC(=O)[C@@H](CO)NC(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001220328881 780337488 /nfs/dbraw/zinc/33/74/88/780337488.db2.gz DQAIHFAKSFXHFL-RKDXNWHRSA-N 2 1 273.337 -3.301 20 0 CAADMP NC(=O)[C@H](CO)NC(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001220328880 780337734 /nfs/dbraw/zinc/33/77/34/780337734.db2.gz DQAIHFAKSFXHFL-IUCAKERBSA-N 2 1 273.337 -3.301 20 0 CAADMP O=C(NCc1c[nH]nn1)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001220329527 780339667 /nfs/dbraw/zinc/33/96/67/780339667.db2.gz ROSBYEWTUDTDBF-LDYMZIIASA-N 2 1 250.306 -1.380 20 0 CAADMP CN1CCOC[C@@H]1CNC(=O)C[NH2+]C1CC[NH2+]CC1 ZINC001220382411 780343339 /nfs/dbraw/zinc/34/33/39/780343339.db2.gz WLBADNMARKUSPP-LBPRGKRZSA-N 2 1 270.377 -1.225 20 0 CAADMP [NH3+]CC[C@H]([NH3+])C(=O)NCc1ccc(N2CCOCC2)nn1 ZINC001220390223 780344612 /nfs/dbraw/zinc/34/46/12/780344612.db2.gz UHMBCPSKXVVTFR-NSHDSACASA-N 2 1 294.359 -1.395 20 0 CAADMP O=C(NC[C@H]1COCCN1)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001220429269 780348281 /nfs/dbraw/zinc/34/82/81/780348281.db2.gz OMJCFNBVJMPBBI-RYUDHWBXSA-N 2 1 282.388 -1.035 20 0 CAADMP C[NH2+][C@@H](CCCC[NH3+])C(=O)NC[C@@H]1COCCN1 ZINC001220429265 780348372 /nfs/dbraw/zinc/34/83/72/780348372.db2.gz OKXOYHVWLMJDSL-MNOVXSKESA-N 2 1 258.366 -1.192 20 0 CAADMP [NH3+]CCCC[C@H]([NH3+])CC(=O)NC[C@@H]1COCCN1 ZINC001220431755 780348790 /nfs/dbraw/zinc/34/87/90/780348790.db2.gz OZBFVTMYURXPJA-WDEREUQCSA-N 2 1 258.366 -1.063 20 0 CAADMP CC(C)[C@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)[C@@H]2C[C@@H](N)C[NH2+]2)O1 ZINC001220481541 780353010 /nfs/dbraw/zinc/35/30/10/780353010.db2.gz JZJYCXNOVSYQMR-TUTUZKQUSA-N 2 1 286.376 -1.483 20 0 CAADMP CC(C)[C@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)[C@@H]2COCC[NH2+]2)O1 ZINC001220481655 780353513 /nfs/dbraw/zinc/35/35/13/780353513.db2.gz MOPRUCUIVPHGFR-WGBDABJCSA-N 2 1 287.360 -1.184 20 0 CAADMP CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)[C@@H]([NH3+])CC[NH3+])O1 ZINC001220481615 780353531 /nfs/dbraw/zinc/35/35/31/780353531.db2.gz LLEACFPTWOBOHT-BTQIBKBOSA-N 3 1 274.365 -1.497 20 0 CAADMP CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)[C@@H]2C[C@@H](N)C[NH2+]2)O1 ZINC001220481542 780353777 /nfs/dbraw/zinc/35/37/77/780353777.db2.gz JZJYCXNOVSYQMR-UYNYGYNWSA-N 2 1 286.376 -1.483 20 0 CAADMP N[C@@H]1C[C@]2(C(=O)NCCOCCOCC[NH3+])CC[C@H]1[NH2+]2 ZINC001220519223 780358612 /nfs/dbraw/zinc/35/86/12/780358612.db2.gz GZZAHZLYWGKHRZ-WZRBSPASSA-N 2 1 286.376 -1.684 20 0 CAADMP N[C@H]1C[NH2+][C@H](C(=O)NCCOCCOCC[NH3+])C1 ZINC001220519188 780358737 /nfs/dbraw/zinc/35/87/37/780358737.db2.gz FRGNEPCLOXLIHO-ZJUUUORDSA-N 2 1 260.338 -2.216 20 0 CAADMP CC[N@H+]1C[C@@H](NC(=O)CC[NH+]2CCOCC2)[C@@H](O)C1 ZINC001220553548 780363612 /nfs/dbraw/zinc/36/36/12/780363612.db2.gz KYDKEVCZKVABOY-NEPJUHHUSA-N 2 1 271.361 -1.110 20 0 CAADMP CC[N@@H+]1C[C@@H](NC(=O)CC[NH+]2CCOCC2)[C@@H](O)C1 ZINC001220553548 780363624 /nfs/dbraw/zinc/36/36/24/780363624.db2.gz KYDKEVCZKVABOY-NEPJUHHUSA-N 2 1 271.361 -1.110 20 0 CAADMP O=C(NCC[NH+]1CC2(COC2)C1)[C@@H]1COC2(C[NH2+]C2)CN1 ZINC001220571365 780364574 /nfs/dbraw/zinc/36/45/74/780364574.db2.gz PMYXPJCUMXMQTB-NSHDSACASA-N 2 1 296.371 -2.235 20 0 CAADMP O=C(NCC[NH+]1CC2(COC2)C1)[C@H]1C[NH2+]C[C@H]1O ZINC001220570793 780364609 /nfs/dbraw/zinc/36/46/09/780364609.db2.gz AIHJQGKMVKYCKE-VHSXEESVSA-N 2 1 255.318 -1.985 20 0 CAADMP O=C(NCC[NH+]1CC2(COC2)C1)[C@@H]1C[NH2+]C[C@@H]1O ZINC001220570794 780364632 /nfs/dbraw/zinc/36/46/32/780364632.db2.gz AIHJQGKMVKYCKE-ZJUUUORDSA-N 2 1 255.318 -1.985 20 0 CAADMP O=C(C[C@@H]1COCC[NH2+]1)NCC[NH+]1CC2(COC2)C1 ZINC001220571235 780364686 /nfs/dbraw/zinc/36/46/86/780364686.db2.gz MKGZWVMSQGZLTN-LLVKDONJSA-N 2 1 269.345 -1.187 20 0 CAADMP CCOC(=O)CN(CC[NH3+])C(=O)[C@@H]([NH3+])Cc1c[nH]cn1 ZINC001220583096 780367370 /nfs/dbraw/zinc/36/73/70/780367370.db2.gz DHZRNAIMNFEVCP-JTQLQIEISA-N 2 1 283.332 -1.370 20 0 CAADMP CCOC(=O)CN(CC[NH3+])C(=O)[C@@H]1COCC[NH2+]1 ZINC001220583615 780368327 /nfs/dbraw/zinc/36/83/27/780368327.db2.gz RCEBIEHIMAHFHJ-VIFPVBQESA-N 2 1 259.306 -1.675 20 0 CAADMP COC(=O)[C@H](NC(=O)[C@@H]([NH3+])CC[NH3+])C(F)(F)F ZINC001220588048 780369977 /nfs/dbraw/zinc/36/99/77/780369977.db2.gz OWDKLPCRIRYEOK-WHFBIAKZSA-N 2 1 257.212 -1.117 20 0 CAADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CCO)C[C@@H]1O ZINC001220688239 780374201 /nfs/dbraw/zinc/37/42/01/780374201.db2.gz BAVVLXIDUBQEBI-MNOVXSKESA-N 2 1 259.350 -1.518 20 0 CAADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CCO)C[C@@H]1O ZINC001220688239 780374212 /nfs/dbraw/zinc/37/42/12/780374212.db2.gz BAVVLXIDUBQEBI-MNOVXSKESA-N 2 1 259.350 -1.518 20 0 CAADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001220688239 780374223 /nfs/dbraw/zinc/37/42/23/780374223.db2.gz BAVVLXIDUBQEBI-MNOVXSKESA-N 2 1 259.350 -1.518 20 0 CAADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CCCO)C[C@@H]1O ZINC001220688435 780374571 /nfs/dbraw/zinc/37/45/71/780374571.db2.gz GKDDEWYHKDMIHR-NEPJUHHUSA-N 2 1 273.377 -1.128 20 0 CAADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CCCO)C[C@@H]1O ZINC001220688435 780374578 /nfs/dbraw/zinc/37/45/78/780374578.db2.gz GKDDEWYHKDMIHR-NEPJUHHUSA-N 2 1 273.377 -1.128 20 0 CAADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CCCO)C[C@@H]1O ZINC001220688435 780374590 /nfs/dbraw/zinc/37/45/90/780374590.db2.gz GKDDEWYHKDMIHR-NEPJUHHUSA-N 2 1 273.377 -1.128 20 0 CAADMP COC(=O)CC1(NC(=O)[C@@H]([NH3+])CC[NH3+])CCOCC1 ZINC001220732375 780377695 /nfs/dbraw/zinc/37/76/95/780377695.db2.gz XOITZCIPXLHNKP-VIFPVBQESA-N 2 1 273.333 -1.109 20 0 CAADMP C[C@H](O)C[N@@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001220768525 780380333 /nfs/dbraw/zinc/38/03/33/780380333.db2.gz QDHOFVYUVQEQGN-TUAOUCFPSA-N 2 1 289.376 -1.893 20 0 CAADMP COC(=O)[C@H](Cc1cncn1C)NC(=O)[C@@H]([NH3+])CC[NH3+] ZINC001220772115 780380388 /nfs/dbraw/zinc/38/03/88/780380388.db2.gz JLDHDYSDFVRJKX-UWVGGRQHSA-N 2 1 283.332 -1.704 20 0 CAADMP CCOC(=O)C1=C(NC(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H](N)C3)C[NH2+]C1 ZINC001220827241 780381719 /nfs/dbraw/zinc/38/17/19/780381719.db2.gz KSTGVGSZGOOKGQ-RULNRJAQSA-N 2 1 294.355 -1.255 20 0 CAADMP CCOC(=O)C1=C(NC(=O)[C@]2(C)COCC[NH2+]2)C[NH2+]C1 ZINC001220829297 780383756 /nfs/dbraw/zinc/38/37/56/780383756.db2.gz ZKQNVLOCWBNCCR-ZDUSSCGKSA-N 2 1 283.328 -1.099 20 0 CAADMP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@H](C)O)C[C@@H]1O ZINC001220828842 780383788 /nfs/dbraw/zinc/38/37/88/780383788.db2.gz FFDAFXPPBVKMRR-TUAOUCFPSA-N 2 1 273.377 -1.130 20 0 CAADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](C[C@H](C)O)C[C@@H]1O ZINC001220828842 780383798 /nfs/dbraw/zinc/38/37/98/780383798.db2.gz FFDAFXPPBVKMRR-TUAOUCFPSA-N 2 1 273.377 -1.130 20 0 CAADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](C[C@H](C)O)C[C@@H]1O ZINC001220828842 780383808 /nfs/dbraw/zinc/38/38/08/780383808.db2.gz FFDAFXPPBVKMRR-TUAOUCFPSA-N 2 1 273.377 -1.130 20 0 CAADMP CCOC(=O)C1=C(NC(=O)CNCCC[NH3+])C[NH2+]C1 ZINC001220830009 780384463 /nfs/dbraw/zinc/38/44/63/780384463.db2.gz JVRAHBISYQNAEP-UHFFFAOYSA-N 2 1 270.333 -1.539 20 0 CAADMP CCOC(=O)C1=C(NC(=O)C[N@@H+]2CC[C@@H](O)C2)C[NH2+]C1 ZINC001220829909 780384529 /nfs/dbraw/zinc/38/45/29/780384529.db2.gz FQOSXCHSWLURPF-SECBINFHSA-N 2 1 283.328 -1.410 20 0 CAADMP CCOC(=O)C1=C(NC(=O)C[N@H+]2CC[C@@H](O)C2)C[NH2+]C1 ZINC001220829909 780384540 /nfs/dbraw/zinc/38/45/40/780384540.db2.gz FQOSXCHSWLURPF-SECBINFHSA-N 2 1 283.328 -1.410 20 0 CAADMP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CCO)C[C@@H]1O ZINC001220830641 780384593 /nfs/dbraw/zinc/38/45/93/780384593.db2.gz GDAFAXAFWBMSJX-MNOVXSKESA-N 2 1 259.350 -1.518 20 0 CAADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](CCO)C[C@@H]1O ZINC001220830641 780384600 /nfs/dbraw/zinc/38/46/00/780384600.db2.gz GDAFAXAFWBMSJX-MNOVXSKESA-N 2 1 259.350 -1.518 20 0 CAADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001220830641 780384609 /nfs/dbraw/zinc/38/46/09/780384609.db2.gz GDAFAXAFWBMSJX-MNOVXSKESA-N 2 1 259.350 -1.518 20 0 CAADMP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@@H](C)O)C[C@@H]1O ZINC001220828843 780384813 /nfs/dbraw/zinc/38/48/13/780384813.db2.gz FFDAFXPPBVKMRR-UTUOFQBUSA-N 2 1 273.377 -1.130 20 0 CAADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](C[C@@H](C)O)C[C@@H]1O ZINC001220828843 780384823 /nfs/dbraw/zinc/38/48/23/780384823.db2.gz FFDAFXPPBVKMRR-UTUOFQBUSA-N 2 1 273.377 -1.130 20 0 CAADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](C[C@@H](C)O)C[C@@H]1O ZINC001220828843 780384832 /nfs/dbraw/zinc/38/48/32/780384832.db2.gz FFDAFXPPBVKMRR-UTUOFQBUSA-N 2 1 273.377 -1.130 20 0 CAADMP CCOC(=O)C1=C(NC(=O)CN2CC[NH+](C)CC2)C[NH2+]C1 ZINC001220827573 780384967 /nfs/dbraw/zinc/38/49/67/780384967.db2.gz SXBPQRNTFFWISJ-UHFFFAOYSA-N 2 1 296.371 -1.230 20 0 CAADMP CCOC(=O)C1(NC(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)CNC1 ZINC001220851064 780386308 /nfs/dbraw/zinc/38/63/08/780386308.db2.gz GATHLFCQZMQQRZ-SECBINFHSA-N 2 1 282.344 -2.183 20 0 CAADMP O=C(NCCN1CC[NH2+]CC1=O)[C@@H]1CCCC[NH2+]1 ZINC001220872480 780387583 /nfs/dbraw/zinc/38/75/83/780387583.db2.gz WMLOJNRYZNYVPY-JTQLQIEISA-N 2 1 254.334 -1.324 20 0 CAADMP CCOC(=O)C1(NC(=O)[C@H](CCCC[NH3+])[NH2+]C)CNC1 ZINC001220851182 780387726 /nfs/dbraw/zinc/38/77/26/780387726.db2.gz LGRBBYHLWCVLQT-JTQLQIEISA-N 2 1 286.376 -1.275 20 0 CAADMP CCOC(=O)C1(NC(=O)[C@H]([NH3+])C2CC[NH2+]CC2)CNC1 ZINC001220851287 780387854 /nfs/dbraw/zinc/38/78/54/780387854.db2.gz OTIFODCCFYVICA-SNVBAGLBSA-N 2 1 284.360 -1.665 20 0 CAADMP CCOC(=O)C1(NC(=O)[C@@H]([NH3+])C2CC[NH2+]CC2)CNC1 ZINC001220851286 780388684 /nfs/dbraw/zinc/38/86/84/780388684.db2.gz OTIFODCCFYVICA-JTQLQIEISA-N 2 1 284.360 -1.665 20 0 CAADMP C[C@@H]1[NH2+]CCC[C@@H]1C(=O)NCCN1CC[NH2+]CC1=O ZINC001220871923 780388794 /nfs/dbraw/zinc/38/87/94/780388794.db2.gz CTQORKCLVXVPSL-QWRGUYRKSA-N 2 1 268.361 -1.078 20 0 CAADMP O=C(NCCN1CC[NH2+]CC1=O)[C@@]12C[NH2+]C[C@H]1CCN2 ZINC001220872507 780389907 /nfs/dbraw/zinc/38/99/07/780389907.db2.gz XAXUNRQZOGABRJ-ZWNOBZJWSA-N 2 1 281.360 -2.514 20 0 CAADMP O=C(NCCN1CC[NH2+]CC1=O)[C@@H]1C[NH2+]C[C@@H]1O ZINC001220874906 780390026 /nfs/dbraw/zinc/39/00/26/780390026.db2.gz QQNCXOJWBVBGJH-BDAKNGLRSA-N 2 1 256.306 -2.885 20 0 CAADMP [NH3+]CCCC[C@H]([NH3+])C(=O)NCCN1CC[NH2+]CC1=O ZINC001220874464 780390200 /nfs/dbraw/zinc/39/02/00/780390200.db2.gz JODXEIAAKNHGGZ-JTQLQIEISA-N 3 1 271.365 -2.009 20 0 CAADMP [NH3+]CCC[C@H]([NH3+])C(=O)NCCN1CC[NH2+]CC1=O ZINC001220872080 780390219 /nfs/dbraw/zinc/39/02/19/780390219.db2.gz JLUUZHSRBUHIJC-VIFPVBQESA-N 3 1 257.338 -2.399 20 0 CAADMP C[C@]1(C(=O)NCCN2CC[NH2+]CC2=O)CC[NH2+]C1 ZINC001220874729 780390238 /nfs/dbraw/zinc/39/02/38/780390238.db2.gz NSVLIUHBWYRELO-LBPRGKRZSA-N 2 1 254.334 -1.466 20 0 CAADMP C[C@]1(C(=O)NCCN2CC[NH2+]CC2=O)CCC[NH2+]1 ZINC001220874832 780391092 /nfs/dbraw/zinc/39/10/92/780391092.db2.gz NTLZZVCCCLERPU-GFCCVEGCSA-N 2 1 254.334 -1.324 20 0 CAADMP O=C(NCCN1CC[NH2+]CC1=O)[C@H]1CC[NH2+]C[C@H]1F ZINC001220875117 780391264 /nfs/dbraw/zinc/39/12/64/780391264.db2.gz TZUFIFAVPDPUAL-VHSXEESVSA-N 2 1 272.324 -1.518 20 0 CAADMP O=C(C[C@@H]1COCC[NH2+]1)NCCN1CC[NH2+]CC1=O ZINC001220874940 780391389 /nfs/dbraw/zinc/39/13/89/780391389.db2.gz RKDMLMGZPCVUCF-SNVBAGLBSA-N 2 1 270.333 -2.087 20 0 CAADMP [NH3+]CCN(CCNC(=O)[C@@H]1COCC[NH2+]1)N(O)N=O ZINC001220902866 780394356 /nfs/dbraw/zinc/39/43/56/780394356.db2.gz DGBAXMOYQPJXJT-QMMMGPOBSA-N 2 1 276.297 -2.361 20 0 CAADMP [NH3+][C@@H](Cc1c[nH]cn1)C(=O)NCCO[C@H]1CC[NH2+]C1 ZINC001220937411 780398105 /nfs/dbraw/zinc/39/81/05/780398105.db2.gz QUQBBOXLRFWQMG-QWRGUYRKSA-N 2 1 267.333 -1.226 20 0 CAADMP N=c1ncc(C[NH3+])cn1C(=O)[C@@H](N)C1CC[NH2+]CC1 ZINC001220950943 780399296 /nfs/dbraw/zinc/39/92/96/780399296.db2.gz LHZGUGKEYVUVKH-JTQLQIEISA-N 2 1 264.333 -1.212 20 0 CAADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CCO)C[C@@H]1O ZINC001221091881 780403306 /nfs/dbraw/zinc/40/33/06/780403306.db2.gz ZDEOBQGZQXQARZ-MNOVXSKESA-N 2 1 259.350 -1.520 20 0 CAADMP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@H+](CCO)C[C@@H]1O ZINC001221091881 780403310 /nfs/dbraw/zinc/40/33/10/780403310.db2.gz ZDEOBQGZQXQARZ-MNOVXSKESA-N 2 1 259.350 -1.520 20 0 CAADMP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001221091881 780403312 /nfs/dbraw/zinc/40/33/12/780403312.db2.gz ZDEOBQGZQXQARZ-MNOVXSKESA-N 2 1 259.350 -1.520 20 0 CAADMP COCCOc1nccc(CNC(=O)[C@@H]([NH3+])CC[NH3+])n1 ZINC001221158242 780404738 /nfs/dbraw/zinc/40/47/38/780404738.db2.gz VYYFNCWRWRMIQJ-JTQLQIEISA-N 2 1 283.332 -1.206 20 0 CAADMP [NH3+][C@@H](CC(F)F)C(=O)N1CN[C@@H]([NH3+])[C@H]2NCN[C@@H]21 ZINC001221266120 780408489 /nfs/dbraw/zinc/40/84/89/780408489.db2.gz SJYXYFIDWVPIPE-MLQRGLMKSA-N 2 1 264.280 -2.512 20 0 CAADMP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)NC[C@@H]1CC[N@@H+](C)C1 ZINC001221254808 780408668 /nfs/dbraw/zinc/40/86/68/780408668.db2.gz UOEURHSDTCHXIF-GUBZILKMSA-N 2 1 299.375 -2.238 20 0 CAADMP C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N[C@@]1(C)CCC[N@@H+](C)C1 ZINC001221244180 780408726 /nfs/dbraw/zinc/40/87/26/780408726.db2.gz REYPQRNKDYRATL-KWBADKCTSA-N 2 1 286.376 -1.589 20 0 CAADMP C[N@H+]1CC[C@@H](CNC(=O)CN(CC[NH3+])S(C)(=O)=O)C1 ZINC001221254171 780408875 /nfs/dbraw/zinc/40/88/75/780408875.db2.gz HWKZYJYJEQXDDK-JTQLQIEISA-N 2 1 292.405 -1.725 20 0 CAADMP C[N@H+]1CC[C@@H](CNC(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)C1 ZINC001221254798 780409040 /nfs/dbraw/zinc/40/90/40/780409040.db2.gz TZCREBGYXOIEHU-WDEREUQCSA-N 3 1 252.362 -1.137 20 0 CAADMP [NH3+][C@@H]1NCN(C(=O)C[C@@H]2CCC[NH2+]C2)[C@@H]2NCN[C@H]21 ZINC001221265916 780411116 /nfs/dbraw/zinc/41/11/16/780411116.db2.gz QKBULJFRUWJCBQ-IXLVHKGHSA-N 2 1 268.365 -2.105 20 0 CAADMP [NH3+][C@@H]1CCC[C@H]1C(=O)N1CN[C@@H]([NH3+])[C@H]2NCN[C@H]21 ZINC001221265331 780411129 /nfs/dbraw/zinc/41/11/29/780411129.db2.gz KGEKGGQHMHFDKT-IGORNWKESA-N 2 1 254.338 -2.367 20 0 CAADMP [NH3+][C@@H]1NCN(C(=O)C=C2CC[NH2+]CC2)[C@H]2NCN[C@@H]21 ZINC001221266528 780411160 /nfs/dbraw/zinc/41/11/60/780411160.db2.gz WWTIXXQOVDMVCQ-IJLUTSLNSA-N 2 1 266.349 -2.185 20 0 CAADMP C[C@]1(C(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@@H]32)CC[NH2+]C1 ZINC001221266052 780411212 /nfs/dbraw/zinc/41/12/12/780411212.db2.gz RXTURKYXXSTPCU-CKEKPRIKSA-N 2 1 254.338 -2.495 20 0 CAADMP CC[C@H](C)[C@@H]([NH3+])CC(=O)N1CN[C@H]([NH3+])[C@H]2NCN[C@H]21 ZINC001221266564 780411393 /nfs/dbraw/zinc/41/13/93/780411393.db2.gz XDHUXFJKXDHKBO-SDTFLJBVSA-N 2 1 270.381 -1.731 20 0 CAADMP [NH3+][C@@H]1CCC[C@H]1C(=O)N1CN[C@@H]([NH3+])[C@H]2NCN[C@@H]21 ZINC001221265333 780411541 /nfs/dbraw/zinc/41/15/41/780411541.db2.gz KGEKGGQHMHFDKT-VVULQXIFSA-N 2 1 254.338 -2.367 20 0 CAADMP CC(C)(C)[C@H]([NH3+])CC(=O)N1CN[C@H]([NH3+])[C@@H]2NCN[C@H]21 ZINC001221265356 780411630 /nfs/dbraw/zinc/41/16/30/780411630.db2.gz KMYSHBZHCVFARV-PXIYARARSA-N 2 1 270.381 -1.731 20 0 CAADMP [NH3+]CCCCCCCC(=O)N1CN[C@H]([NH3+])[C@H]2NCN[C@@H]21 ZINC001221265564 780411723 /nfs/dbraw/zinc/41/17/23/780411723.db2.gz MLEFVEOVNYMWRR-FRRDWIJNSA-N 2 1 284.408 -1.195 20 0 CAADMP [NH3+][C@@H]1NCN(C(=O)C2CC[NH2+]CC2)[C@@H]2NCN[C@H]21 ZINC001221265390 780411822 /nfs/dbraw/zinc/41/18/22/780411822.db2.gz LGJFLBBETATCEX-AEJSXWLSSA-N 2 1 254.338 -2.495 20 0 CAADMP [NH3+][C@@H]1NCN(C(=O)[C@@H]2C[C@@H]3CC[NH2+]C[C@H]3O2)[C@@H]2NCN[C@@H]21 ZINC001221265819 780411967 /nfs/dbraw/zinc/41/19/67/780411967.db2.gz PVARLEFXHHDMDE-UFFGRJIKSA-N 2 1 296.375 -2.728 20 0 CAADMP COC(=O)[C@@H](Cc1cccnc1)NC(=O)[C@@H]([NH3+])CC[NH3+] ZINC001221339473 780416256 /nfs/dbraw/zinc/41/62/56/780416256.db2.gz HUPXEKGWQHOOSV-WDEREUQCSA-N 2 1 280.328 -1.042 20 0 CAADMP [NH3+]CC[C@H]([NH3+])C(=O)NCCN1CCCS1(=O)=O ZINC001221338562 780416318 /nfs/dbraw/zinc/41/63/18/780416318.db2.gz ZPWMWQLRZJSOMQ-QMMMGPOBSA-N 2 1 264.351 -2.186 20 0 CAADMP N[C@@H](CN1CCC([NH3+])CC1)C(=O)NCCCC[NH3+] ZINC001221348933 780417763 /nfs/dbraw/zinc/41/77/63/780417763.db2.gz MDOSEDRSMRBCMZ-NSHDSACASA-N 2 1 257.382 -1.408 20 0 CAADMP CC1(C)C(=O)NC[C@H]1NC(=O)C[NH2+]C1CC[NH2+]CC1 ZINC001221371001 780418329 /nfs/dbraw/zinc/41/83/29/780418329.db2.gz VJRJWHRZWBBLDP-SNVBAGLBSA-N 2 1 268.361 -1.031 20 0 CAADMP O=C(C[NH2+]C1CC[NH2+]CC1)NC[C@H]1CNC(=O)O1 ZINC001221370519 780418597 /nfs/dbraw/zinc/41/85/97/780418597.db2.gz SBSGMHMSWBDHJD-VIFPVBQESA-N 2 1 256.306 -1.447 20 0 CAADMP O=C(C[NH2+]C1CC[NH2+]CC1)NC[C@@H]1CNC(=O)O1 ZINC001221370518 780419009 /nfs/dbraw/zinc/41/90/09/780419009.db2.gz SBSGMHMSWBDHJD-SECBINFHSA-N 2 1 256.306 -1.447 20 0 CAADMP C[NH+]1CCC(CO)(NC(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H](N)C3)CC1 ZINC001221403058 780420125 /nfs/dbraw/zinc/42/01/25/780420125.db2.gz PGIHXOFVAXSTPU-GYSYKLTISA-N 2 1 282.388 -1.219 20 0 CAADMP C[NH+]1CCC(CO)(NC(=O)[C@H]([NH3+])Cc2c[nH]cn2)CC1 ZINC001221402420 780420440 /nfs/dbraw/zinc/42/04/40/780420440.db2.gz GVCHNYGQDFWOKE-LLVKDONJSA-N 2 1 281.360 -1.148 20 0 CAADMP C[NH+]1CCC(CO)(NC(=O)C[NH2+]C2CC[NH2+]CC2)CC1 ZINC001221402610 780420604 /nfs/dbraw/zinc/42/06/04/780420604.db2.gz JQCFEYRSTOTRQA-UHFFFAOYSA-N 3 1 284.404 -1.099 20 0 CAADMP Cc1nc(CNC(=O)[C@@H]([NH3+])CSCC[NH3+])n[nH]1 ZINC001221410813 780422437 /nfs/dbraw/zinc/42/24/37/780422437.db2.gz ZVDFQEXFYRHWMR-ZETCQYMHSA-N 2 1 258.351 -1.251 20 0 CAADMP C[N@H+]1CCC[C@H]2[C@H]1CCN2C(=O)CNC(=O)C[NH3+] ZINC000720880590 780432297 /nfs/dbraw/zinc/43/22/97/780432297.db2.gz PGZVWDSBBQGWPV-ZJUUUORDSA-N 2 1 254.334 -1.244 20 0 CAADMP C[N@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)CNC(=O)C[NH3+] ZINC000720880587 780432491 /nfs/dbraw/zinc/43/24/91/780432491.db2.gz PGZVWDSBBQGWPV-NXEZZACHSA-N 2 1 254.334 -1.244 20 0 CAADMP CC(C)[NH2+][C@H](CO)CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001278061350 780502372 /nfs/dbraw/zinc/50/23/72/780502372.db2.gz KODFYGGJZPLWSY-WDEREUQCSA-N 2 1 259.350 -1.208 20 0 CAADMP c1[nH]nnc1CN1CC[NH2+]CCNCC[NH2+]CC1 ZINC001235870139 780495018 /nfs/dbraw/zinc/49/50/18/780495018.db2.gz OAOAYNMWHNIGTB-UHFFFAOYSA-N 2 1 253.354 -1.611 20 0 CAADMP Cn1cc(C[N@@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])c(=O)n(C)c1=O ZINC001235998887 780495745 /nfs/dbraw/zinc/49/57/45/780495745.db2.gz QUPRFWWSXWPCEB-FOSCPWQOSA-N 2 1 294.355 -1.511 20 0 CAADMP [NH3+]CCCNC(=O)CN(CCC[NH3+])C[C@H]1COCCN1 ZINC001236307557 780496485 /nfs/dbraw/zinc/49/64/85/780496485.db2.gz CIEPTFCBFLJMPP-LBPRGKRZSA-N 2 1 287.408 -1.909 20 0 CAADMP COC(=O)[C@H]1CN(Cc2cn3c(n2)C[NH2+]CC3)C[C@@H]1[NH3+] ZINC001236338948 780496793 /nfs/dbraw/zinc/49/67/93/780496793.db2.gz CGXIHVOALSHYBO-QWRGUYRKSA-N 2 1 279.344 -1.082 20 0 CAADMP [NH3+]CCCC[N@H+](CCC[NH3+])CC(=O)NCCC[NH3+] ZINC001236310393 780496880 /nfs/dbraw/zinc/49/68/80/780496880.db2.gz YEVXMOMWLKGIEE-UHFFFAOYSA-N 4 1 259.398 -1.159 20 0 CAADMP [NH3+]CCCC[N@@H+](CCC[NH3+])CC(=O)NCCC[NH3+] ZINC001236310393 780496886 /nfs/dbraw/zinc/49/68/86/780496886.db2.gz YEVXMOMWLKGIEE-UHFFFAOYSA-N 4 1 259.398 -1.159 20 0 CAADMP CC(C)[NH2+][C@@H](CO)CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001278061346 780502163 /nfs/dbraw/zinc/50/21/63/780502163.db2.gz KODFYGGJZPLWSY-GHMZBOCLSA-N 2 1 259.350 -1.208 20 0 CAADMP CC(C)[NH2+][C@@H](CO)CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001278061346 780502167 /nfs/dbraw/zinc/50/21/67/780502167.db2.gz KODFYGGJZPLWSY-GHMZBOCLSA-N 2 1 259.350 -1.208 20 0 CAADMP CC(C)[NH2+][C@H](CO)CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001278061350 780502368 /nfs/dbraw/zinc/50/23/68/780502368.db2.gz KODFYGGJZPLWSY-WDEREUQCSA-N 2 1 259.350 -1.208 20 0 CAADMP C[N@H+]1CCC[C@H]1C(=O)NC[C@@H](CO)[NH2+]CCCO ZINC001278054827 780502434 /nfs/dbraw/zinc/50/24/34/780502434.db2.gz WUOOKRVPAPDUKX-QWRGUYRKSA-N 2 1 259.350 -1.470 20 0 CAADMP C[N@H+]1CCCC[C@H]1C(=O)NC[C@@H](CO)[NH2+]CCO ZINC001278139977 780509344 /nfs/dbraw/zinc/50/93/44/780509344.db2.gz XBCZFXWNVTZWGJ-QWRGUYRKSA-N 2 1 259.350 -1.470 20 0 CAADMP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@@H](CO)[NH2+]CCCO)C1 ZINC001278201722 780514214 /nfs/dbraw/zinc/51/42/14/780514214.db2.gz JMFZMCCGKZSZFF-NWDGAFQWSA-N 2 1 289.376 -1.844 20 0 CAADMP CC[N@H+]1CCO[C@@H](C(=O)NC[C@@H](CO)[NH2+]CCCO)C1 ZINC001278201722 780514221 /nfs/dbraw/zinc/51/42/21/780514221.db2.gz JMFZMCCGKZSZFF-NWDGAFQWSA-N 2 1 289.376 -1.844 20 0 CAADMP CCOC(=O)C1([NH3+])CCN(S(=O)(=O)CC[NH3+])CC1 ZINC001239112456 780531311 /nfs/dbraw/zinc/53/13/11/780531311.db2.gz VDUHQRPFGXJEFS-UHFFFAOYSA-N 2 1 279.362 -1.369 20 0 CAADMP COC(=O)[C@H]([NH3+])C1CCN(S(=O)(=O)CC[NH3+])CC1 ZINC001239112371 780531933 /nfs/dbraw/zinc/53/19/33/780531933.db2.gz QYZLUISJXNQYHU-SECBINFHSA-N 2 1 279.362 -1.513 20 0 CAADMP O[C@@H](C[NH2+][C@H]1CC12C[NH2+]C2)CC1(O)CC[NH2+]CC1 ZINC001246010355 780538945 /nfs/dbraw/zinc/53/89/45/780538945.db2.gz MTSLAGXJTPUARV-MNOVXSKESA-N 3 1 255.362 -1.197 20 0 CAADMP COC(=O)[C@H](O)C[NH2+]C[C@H]1CCC2(CC[NH2+]CC2)N1 ZINC001245984741 780538983 /nfs/dbraw/zinc/53/89/83/780538983.db2.gz JVBVWWRCRJHHEI-GHMZBOCLSA-N 2 1 271.361 -1.016 20 0 CAADMP [NH3+]C[C@]1(O)CCC[N@@H+](C[C@H](O)CN2CCOCC2)CC1 ZINC001246021260 780539562 /nfs/dbraw/zinc/53/95/62/780539562.db2.gz NLVRGHWSUOROQP-KBPBESRZSA-N 2 1 287.404 -1.145 20 0 CAADMP CNC(=O)[C@H](CCCC[NH3+])[NH2+]C[C@]1(O)CC[NH2+]C1 ZINC001246018043 780539703 /nfs/dbraw/zinc/53/97/03/780539703.db2.gz FGYQILXDLVGQLU-JQWIXIFHSA-N 3 1 258.366 -1.456 20 0 CAADMP O=C1CC[NH2+]C[C@@H]1NC[C@@H](O)CC1(O)CC[NH2+]CC1 ZINC001245993930 780539746 /nfs/dbraw/zinc/53/97/46/780539746.db2.gz JFGAVIUWYKVGRE-QWRGUYRKSA-N 2 1 271.361 -1.628 20 0 CAADMP O=C1CCNC[C@@H]1[NH2+]C[C@@H](O)CC1(O)CC[NH2+]CC1 ZINC001245993930 780539748 /nfs/dbraw/zinc/53/97/48/780539748.db2.gz JFGAVIUWYKVGRE-QWRGUYRKSA-N 2 1 271.361 -1.628 20 0 CAADMP [NH3+]C[C@]1(O)CCC[N@@H+](C[C@@H](O)CN2CCOCC2)CC1 ZINC001246021264 780539787 /nfs/dbraw/zinc/53/97/87/780539787.db2.gz NLVRGHWSUOROQP-KGLIPLIRSA-N 2 1 287.404 -1.145 20 0 CAADMP COC(=O)[C@H](CCC[NH3+])NC[C@@H](O)C[NH+]1CCOCC1 ZINC001246010002 780539826 /nfs/dbraw/zinc/53/98/26/780539826.db2.gz VSHOBFAVLFXLSN-NEPJUHHUSA-N 2 1 289.376 -1.450 20 0 CAADMP O=C1CC[NH2+]C[C@@H]1NC[C@H](O)CC1(O)CC[NH2+]CC1 ZINC001245993929 780539871 /nfs/dbraw/zinc/53/98/71/780539871.db2.gz JFGAVIUWYKVGRE-MNOVXSKESA-N 2 1 271.361 -1.628 20 0 CAADMP O=C1CCNC[C@@H]1[NH2+]C[C@H](O)CC1(O)CC[NH2+]CC1 ZINC001245993929 780539877 /nfs/dbraw/zinc/53/98/77/780539877.db2.gz JFGAVIUWYKVGRE-MNOVXSKESA-N 2 1 271.361 -1.628 20 0 CAADMP CNC(=O)[C@H](CCCC[NH3+])[NH2+]C[C@@]1(O)CC[NH2+]C1 ZINC001246018037 780539990 /nfs/dbraw/zinc/53/99/90/780539990.db2.gz FGYQILXDLVGQLU-CMPLNLGQSA-N 3 1 258.366 -1.456 20 0 CAADMP CCOC(=O)[C@]12C[N@H+](C[C@H](O)CO)C[C@H]1C[NH2+]CC2 ZINC001246048697 780540730 /nfs/dbraw/zinc/54/07/30/780540730.db2.gz ZXQYZDDYJSHIQD-NTZNESFSSA-N 2 1 272.345 -1.186 20 0 CAADMP CCOC(=O)[C@]12C[N@@H+](C[C@H](O)CO)C[C@H]1C[NH2+]CC2 ZINC001246048697 780540741 /nfs/dbraw/zinc/54/07/41/780540741.db2.gz ZXQYZDDYJSHIQD-NTZNESFSSA-N 2 1 272.345 -1.186 20 0 CAADMP [NH3+]C[C@@]1(O)CCC[N@@H+](C[C@H](O)CN2CCOCC2)CC1 ZINC001246021266 780540753 /nfs/dbraw/zinc/54/07/53/780540753.db2.gz NLVRGHWSUOROQP-UONOGXRCSA-N 2 1 287.404 -1.145 20 0 CAADMP [NH3+][C@@H]1CC[N@H+](C[C@H](O)CC2(O)CC[NH2+]CC2)C[C@H]1O ZINC001246027732 780541087 /nfs/dbraw/zinc/54/10/87/780541087.db2.gz YMBHTCMNVLDBLU-IJLUTSLNSA-N 3 1 273.377 -1.754 20 0 CAADMP [NH3+][C@@H]1CC[N@@H+](C[C@H](O)CC2(O)CC[NH2+]CC2)C[C@H]1O ZINC001246027732 780541089 /nfs/dbraw/zinc/54/10/89/780541089.db2.gz YMBHTCMNVLDBLU-IJLUTSLNSA-N 3 1 273.377 -1.754 20 0 CAADMP [NH3+][C@@H]1CC[N@H+](C[C@@H](O)CC2(O)CC[NH2+]CC2)C[C@H]1O ZINC001246027744 780541138 /nfs/dbraw/zinc/54/11/38/780541138.db2.gz YMBHTCMNVLDBLU-QJPTWQEYSA-N 3 1 273.377 -1.754 20 0 CAADMP [NH3+][C@@H]1CC[N@@H+](C[C@@H](O)CC2(O)CC[NH2+]CC2)C[C@H]1O ZINC001246027744 780541145 /nfs/dbraw/zinc/54/11/45/780541145.db2.gz YMBHTCMNVLDBLU-QJPTWQEYSA-N 3 1 273.377 -1.754 20 0 CAADMP O[C@@]1(C[N@H+]2CCNC3(CC[NH2+]CC3)C2)CC[NH2+]C1 ZINC001246028684 780541189 /nfs/dbraw/zinc/54/11/89/780541189.db2.gz KCSSQRZGPQTLDZ-ZDUSSCGKSA-N 3 1 254.378 -1.262 20 0 CAADMP O[C@@]1(CN2CCNC3(CC[NH2+]CC3)C2)CC[NH2+]C1 ZINC001246028684 780541194 /nfs/dbraw/zinc/54/11/94/780541194.db2.gz KCSSQRZGPQTLDZ-ZDUSSCGKSA-N 2 1 254.378 -1.262 20 0 CAADMP O[C@H](CN1CCOCC1)CN1CC[NH2+]C[C@]12CC[NH2+]C2 ZINC001246027608 780541220 /nfs/dbraw/zinc/54/12/20/780541220.db2.gz KURPWDFANYQFSS-ZIAGYGMSSA-N 2 1 284.404 -1.683 20 0 CAADMP [NH3+]C[C@@]1(O)CCCC[N@@H+](C[C@@H](O)CN2CCOCC2)C1 ZINC001246022421 780541550 /nfs/dbraw/zinc/54/15/50/780541550.db2.gz NUWHUEKWCXHDEH-KBPBESRZSA-N 2 1 287.404 -1.145 20 0 CAADMP O[C@]1(C[N@H+]2CCNC3(CC[NH2+]CC3)C2)CC[NH2+]C1 ZINC001246028671 780541635 /nfs/dbraw/zinc/54/16/35/780541635.db2.gz KCSSQRZGPQTLDZ-CYBMUJFWSA-N 3 1 254.378 -1.262 20 0 CAADMP O[C@]1(CN2CCNC3(CC[NH2+]CC3)C2)CC[NH2+]C1 ZINC001246028671 780541641 /nfs/dbraw/zinc/54/16/41/780541641.db2.gz KCSSQRZGPQTLDZ-CYBMUJFWSA-N 2 1 254.378 -1.262 20 0 CAADMP CCOC(=O)C[C@H](O)CN1CC[NH2+]C[C@]12CC[NH2+]C2 ZINC001246024469 780541676 /nfs/dbraw/zinc/54/16/76/780541676.db2.gz FXCZITLOSPGJHA-WCQYABFASA-N 2 1 271.361 -1.062 20 0 CAADMP O[C@H](CN1CC[NH2+]C[C@@]12CC[NH2+]C2)CC1(O)CC[NH2+]CC1 ZINC001246024299 780541691 /nfs/dbraw/zinc/54/16/91/780541691.db2.gz DZROGQPBMVYMKV-KBPBESRZSA-N 3 1 298.431 -1.511 20 0 CAADMP CCOC(=O)C[C@H](O)CN1CC[NH2+]C[C@@]12CC[NH2+]C2 ZINC001246024468 780541800 /nfs/dbraw/zinc/54/18/00/780541800.db2.gz FXCZITLOSPGJHA-AAEUAGOBSA-N 2 1 271.361 -1.062 20 0 CAADMP O[C@H](CN1CCOCC1)CN1CC[NH2+]C[C@@]12CC[NH2+]C2 ZINC001246027601 780541828 /nfs/dbraw/zinc/54/18/28/780541828.db2.gz KURPWDFANYQFSS-KGLIPLIRSA-N 2 1 284.404 -1.683 20 0 CAADMP [NH3+]C[C@H]1C[N@@H+](C[C@H](O)CN2CCOCC2)C[C@H]1O ZINC001246025961 780541862 /nfs/dbraw/zinc/54/18/62/780541862.db2.gz YNKZSTSLJHANPK-QJPTWQEYSA-N 2 1 259.350 -2.069 20 0 CAADMP O[C@]1(CN2CC[NH2+]C[C@]23CC[NH2+]C3)CCC[NH2+]C1 ZINC001246025309 780541911 /nfs/dbraw/zinc/54/19/11/780541911.db2.gz HEDZHYOIHQDSPM-CHWSQXEVSA-N 3 1 254.378 -1.262 20 0 CAADMP CCCOC[C@H](O)C[NH+]1CCNCC[NH2+]CCNCC1 ZINC001246057061 780542251 /nfs/dbraw/zinc/54/22/51/780542251.db2.gz RPASHFSTKFPUHX-CQSZACIVSA-N 2 1 288.436 -1.142 20 0 CAADMP C[C@H]1CC[C@@H](NCCS(=O)(=O)N2CC[NH2+]CC2)C[NH2+]1 ZINC001246099350 780544746 /nfs/dbraw/zinc/54/47/46/780544746.db2.gz HQRJLWCELHDYPZ-NWDGAFQWSA-N 2 1 290.433 -1.049 20 0 CAADMP C(N[C@@H]1CCNC2(C[NH2+]C2)C1)c1nnn2c1C[NH2+]CCC2 ZINC001246133572 780545486 /nfs/dbraw/zinc/54/54/86/780545486.db2.gz OLNGUVVRQSSJCD-LLVKDONJSA-N 2 1 291.403 -1.045 20 0 CAADMP C1[NH2+]CC12C[C@H]([NH2+][C@@H]1CN[C@@H]3COC[C@@H]31)CCN2 ZINC001246133915 780545729 /nfs/dbraw/zinc/54/57/29/780545729.db2.gz KTCFEQIORRHMPR-DDHJBXDOSA-N 2 1 252.362 -1.343 20 0 CAADMP COC(=O)[C@@H]1C[C@@H]([NH2+]CCC[N@H+](C)CCO)CN1 ZINC001246491108 780555488 /nfs/dbraw/zinc/55/54/88/780555488.db2.gz OCFRKUCWRNYLEB-MNOVXSKESA-N 2 1 259.350 -1.206 20 0 CAADMP COC(=O)[C@@H]1C[C@@H]([NH2+]CCC[N@@H+](C)CCO)CN1 ZINC001246491108 780555497 /nfs/dbraw/zinc/55/54/97/780555497.db2.gz OCFRKUCWRNYLEB-MNOVXSKESA-N 2 1 259.350 -1.206 20 0 CAADMP COC(=O)[C@@H]1C[C@H](n2cncc2C[C@@H]([NH3+])CO)C[NH2+]1 ZINC001246252921 780549431 /nfs/dbraw/zinc/54/94/31/780549431.db2.gz XYCXFEGIFQZEJO-MIMYLULJSA-N 2 1 268.317 -1.179 20 0 CAADMP COC(=O)[C@@H]1C[C@H]([NH2+]CCC(=O)N2CC[NH+](C)CC2)CN1 ZINC001246257158 780549578 /nfs/dbraw/zinc/54/95/78/780549578.db2.gz UJQOXMXLKOBYPJ-RYUDHWBXSA-N 2 1 298.387 -1.356 20 0 CAADMP C[NH+]1CCN(C(=O)CC[NH2+][C@@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246257852 780550194 /nfs/dbraw/zinc/55/01/94/780550194.db2.gz YDZGHFMAVNVXAQ-CYBMUJFWSA-N 3 1 295.431 -1.166 20 0 CAADMP CCOC(=O)[C@@H]1CNC[C@H]1[NH2+][C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246299372 780550586 /nfs/dbraw/zinc/55/05/86/780550586.db2.gz JOHAMTLIYDDHMA-QJPTWQEYSA-N 2 1 282.388 -1.179 20 0 CAADMP COC(=O)[C@@H]1CC[C@H]([NH2+][C@H]2CC[NH2+]C[C@@H]2O)CN1 ZINC001246310169 780551001 /nfs/dbraw/zinc/55/10/01/780551001.db2.gz MXRXECUWBFQVOE-NAKRPEOUSA-N 2 1 257.334 -1.408 20 0 CAADMP OCC[C@]1([NH2+][C@H]2CCNC3(C[NH2+]C3)C2)CC[NH2+]C1 ZINC001246297981 780551382 /nfs/dbraw/zinc/55/13/82/780551382.db2.gz YNJVYHKTJNWNHE-NWDGAFQWSA-N 3 1 254.378 -1.216 20 0 CAADMP COC(=O)[C@@H]1CC[C@@H]([NH2+]CCN2CC[NH2+]CC2=O)CN1 ZINC001246349022 780551695 /nfs/dbraw/zinc/55/16/95/780551695.db2.gz ANXUSRUPHIWKTP-MNOVXSKESA-N 2 1 284.360 -1.699 20 0 CAADMP OC[C@H]1CNCC[C@H]1[NH2+][C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246323359 780551973 /nfs/dbraw/zinc/55/19/73/780551973.db2.gz WIHWPONDCBXZJC-IJLUTSLNSA-N 2 1 254.378 -1.360 20 0 CAADMP CC[C@]1(C(=O)OC)C[C@H](N[C@H]2C[NH2+]C[C@H]2CO)C[NH2+]1 ZINC001246312461 780552122 /nfs/dbraw/zinc/55/21/22/780552122.db2.gz XRJIAAZDSVOIJD-MRBYEJRBSA-N 2 1 271.361 -1.160 20 0 CAADMP COC(=O)[C@@H]1CC[C@H]([NH2+]CCN2CC[NH2+]CC2=O)CN1 ZINC001246349024 780552581 /nfs/dbraw/zinc/55/25/81/780552581.db2.gz ANXUSRUPHIWKTP-QWRGUYRKSA-N 2 1 284.360 -1.699 20 0 CAADMP C[N@@H+](CCO)CCC[NH2+][C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246495575 780555260 /nfs/dbraw/zinc/55/52/60/780555260.db2.gz ZBLGSQZTUYMGQV-GFCCVEGCSA-N 3 1 256.394 -1.016 20 0 CAADMP CN(CCO)CCC[NH2+][C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246495575 780555264 /nfs/dbraw/zinc/55/52/64/780555264.db2.gz ZBLGSQZTUYMGQV-GFCCVEGCSA-N 2 1 256.394 -1.016 20 0 CAADMP COC(=O)[C@@H]1CC[C@H]([N@@H+]2C[C@H](O)[C@@H](C[NH3+])C2)CN1 ZINC001246578324 780556391 /nfs/dbraw/zinc/55/63/91/780556391.db2.gz AVAPPDRYQSJKTE-NAKRPEOUSA-N 2 1 257.334 -1.469 20 0 CAADMP COC(=O)[C@@H]1CC[C@H]([N@H+]2C[C@H](O)[C@@H](C[NH3+])C2)CN1 ZINC001246578324 780556393 /nfs/dbraw/zinc/55/63/93/780556393.db2.gz AVAPPDRYQSJKTE-NAKRPEOUSA-N 2 1 257.334 -1.469 20 0 CAADMP CC[C@@]1(C(=O)OC)C[C@H](N2C[C@@H]([NH3+])[C@H](O)C2)C[NH2+]1 ZINC001246555531 780556423 /nfs/dbraw/zinc/55/64/23/780556423.db2.gz GMZJYYIQIIUMOU-XNDJQWLSSA-N 2 1 257.334 -1.326 20 0 CAADMP CC[C@@]1(C(=O)OC)C[C@H](N2C[C@H](O)[C@@H](C[NH3+])C2)C[NH2+]1 ZINC001246585056 780556650 /nfs/dbraw/zinc/55/66/50/780556650.db2.gz OATNLBUKOOPFGE-ZPFDUUQYSA-N 2 1 271.361 -1.079 20 0 CAADMP CC[C@]1(C(=O)OC)C[C@@H](N2C[C@@H]([NH3+])[C@H](O)C2)C[NH2+]1 ZINC001246555477 780556839 /nfs/dbraw/zinc/55/68/39/780556839.db2.gz GMZJYYIQIIUMOU-DNRKLUKYSA-N 2 1 257.334 -1.326 20 0 CAADMP CC[C@@]1(C(=O)OC)C[C@H](N2C[C@@H](O)[C@@H](C[NH3+])C2)C[NH2+]1 ZINC001246580718 780556908 /nfs/dbraw/zinc/55/69/08/780556908.db2.gz OATNLBUKOOPFGE-KQXIARHKSA-N 2 1 271.361 -1.079 20 0 CAADMP COC(=O)[C@@H]1C[C@@H]([N@@H+]2CC[C@@H]([NH3+])[C@H](O)C2)CCN1 ZINC001246557212 780556948 /nfs/dbraw/zinc/55/69/48/780556948.db2.gz GGGWQYFUUMWUQQ-ZRUFSTJUSA-N 2 1 257.334 -1.326 20 0 CAADMP COC(=O)[C@@H]1C[C@@H]([N@H+]2CC[C@@H]([NH3+])[C@H](O)C2)CCN1 ZINC001246557212 780556956 /nfs/dbraw/zinc/55/69/56/780556956.db2.gz GGGWQYFUUMWUQQ-ZRUFSTJUSA-N 2 1 257.334 -1.326 20 0 CAADMP OC[C@@H]1C[N@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)CC[C@@H]1O ZINC001246588859 780557001 /nfs/dbraw/zinc/55/70/01/780557001.db2.gz LKQOEGAFYNXGMS-TUAOUCFPSA-N 2 1 255.362 -1.245 20 0 CAADMP C[N@@H+](CC(=O)N1CCOCC1)[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246522394 780557477 /nfs/dbraw/zinc/55/74/77/780557477.db2.gz COPVHGTZITYUMR-GFCCVEGCSA-N 2 1 282.388 -1.129 20 0 CAADMP C[C@@H](CC(=O)N1CCOCC1)[N@H+]1C[C@@H](O)[C@@H](C[NH3+])C1 ZINC001246575388 780557512 /nfs/dbraw/zinc/55/75/12/780557512.db2.gz CDAITZMYSNKUFD-SDDRHHMPSA-N 2 1 271.361 -1.125 20 0 CAADMP CC[C@@]1(C(=O)OC)C[C@@H](N2C[C@H](O)[C@@H](C[NH3+])C2)C[NH2+]1 ZINC001246585052 780557539 /nfs/dbraw/zinc/55/75/39/780557539.db2.gz OATNLBUKOOPFGE-NOHGZBONSA-N 2 1 271.361 -1.079 20 0 CAADMP COC(=O)[C@@H]1C[C@H]([N@@H+]2CCN[C@]3(CC[NH2+]C3)C2)CCN1 ZINC001246645730 780559645 /nfs/dbraw/zinc/55/96/45/780559645.db2.gz VUSHFUTWTBVVEX-DYEKYZERSA-N 2 1 282.388 -1.083 20 0 CAADMP COC(=O)[C@@H]1C[C@H]([N@H+]2CCN[C@]3(CC[NH2+]C3)C2)CCN1 ZINC001246645730 780559647 /nfs/dbraw/zinc/55/96/47/780559647.db2.gz VUSHFUTWTBVVEX-DYEKYZERSA-N 2 1 282.388 -1.083 20 0 CAADMP COC(=O)[C@@H]1C[C@H](N2CC[NH2+]C[C@H]2C(=O)OC)C[NH2+]1 ZINC001246627781 780559682 /nfs/dbraw/zinc/55/96/82/780559682.db2.gz XKBCBRAGZXXDRO-GUBZILKMSA-N 2 1 271.317 -1.663 20 0 CAADMP COC(=O)[C@@H]1C[C@@H]([N@@H+]2CCN[C@]3(CC[NH2+]C3)C2)CCN1 ZINC001246645734 780559734 /nfs/dbraw/zinc/55/97/34/780559734.db2.gz VUSHFUTWTBVVEX-OBJOEFQTSA-N 2 1 282.388 -1.083 20 0 CAADMP COC(=O)[C@@H]1C[C@@H]([N@H+]2CCN[C@]3(CC[NH2+]C3)C2)CCN1 ZINC001246645734 780559737 /nfs/dbraw/zinc/55/97/37/780559737.db2.gz VUSHFUTWTBVVEX-OBJOEFQTSA-N 2 1 282.388 -1.083 20 0 CAADMP COC(=O)[C@@H]1CC[C@@H]([N@@H+]2C[C@H]3C[NH2+]C[C@@]3(CO)C2)CN1 ZINC001246646486 780559809 /nfs/dbraw/zinc/55/98/09/780559809.db2.gz NGMQCELCYWZZEI-NMKXLXIOSA-N 2 1 283.372 -1.206 20 0 CAADMP COC(=O)[C@@H]1CC[C@@H]([N@H+]2C[C@H]3C[NH2+]C[C@@]3(CO)C2)CN1 ZINC001246646486 780559815 /nfs/dbraw/zinc/55/98/15/780559815.db2.gz NGMQCELCYWZZEI-NMKXLXIOSA-N 2 1 283.372 -1.206 20 0 CAADMP COC(=O)[C@@H]1C[C@@H]([N@@H+]2CCN[C@@]3(CC[NH2+]C3)C2)CCN1 ZINC001246645736 780559914 /nfs/dbraw/zinc/55/99/14/780559914.db2.gz VUSHFUTWTBVVEX-SGMGOOAPSA-N 2 1 282.388 -1.083 20 0 CAADMP COC(=O)[C@@H]1C[C@@H]([N@H+]2CCN[C@@]3(CC[NH2+]C3)C2)CCN1 ZINC001246645736 780559921 /nfs/dbraw/zinc/55/99/21/780559921.db2.gz VUSHFUTWTBVVEX-SGMGOOAPSA-N 2 1 282.388 -1.083 20 0 CAADMP COC(=O)[C@@H]1C[C@@H](N2CCO[C@H]3C[NH2+]C[C@H]32)C[NH2+]1 ZINC001246660975 780559935 /nfs/dbraw/zinc/55/99/35/780559935.db2.gz DRGJTCBDJOGNHF-YTWAJWBKSA-N 2 1 255.318 -1.438 20 0 CAADMP COC(=O)[C@@H]1CC[C@@H](N2CC[NH2+]C[C@]23CC[NH2+]C3)CN1 ZINC001246630358 780560009 /nfs/dbraw/zinc/56/00/09/780560009.db2.gz OOZQQAFMQFLYAK-MBNYWOFBSA-N 2 1 282.388 -1.083 20 0 CAADMP COC(=O)[C@@H]1C[C@H](N2CC[NH2+]C[C@@]23CC[NH2+]C3)CN1 ZINC001246627262 780560083 /nfs/dbraw/zinc/56/00/83/780560083.db2.gz UWCQIFLANKQCPQ-GVXVVHGQSA-N 2 1 268.361 -1.473 20 0 CAADMP COC(=O)[C@@H]1C[C@H](N2CCOCC23C[NH2+]C3)C[NH2+]1 ZINC001246642369 780560368 /nfs/dbraw/zinc/56/03/68/780560368.db2.gz VWLGJVZGVKPOMP-UWVGGRQHSA-N 2 1 255.318 -1.436 20 0 CAADMP COC(=O)[C@@H]1C[C@@H](N2CCO[C@@]3(C2)C[NH2+]CCOC3)C[NH2+]1 ZINC001246632483 780560410 /nfs/dbraw/zinc/56/04/10/780560410.db2.gz VSJJLOZBHVOYMF-MBNYWOFBSA-N 2 1 299.371 -1.419 20 0 CAADMP CS(=O)(=O)N1CC[NH+]([C@@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246782170 780560971 /nfs/dbraw/zinc/56/09/71/780560971.db2.gz ZNGUNCSVQPMOTD-LLVKDONJSA-N 2 1 288.417 -1.342 20 0 CAADMP COC(=O)[C@@H]1C[C@H](N2C[C@H]3C[NH2+]C[C@@H](C2)O3)C[NH2+]1 ZINC001246680962 780561018 /nfs/dbraw/zinc/56/10/18/780561018.db2.gz YFWXZEUMUZBTSM-MMWGEVLESA-N 2 1 255.318 -1.438 20 0 CAADMP CNC(=O)CN1CCO[C@H]2C[N@@H+](C3CC[NH2+]CC3)C[C@H]21 ZINC001246740246 780561402 /nfs/dbraw/zinc/56/14/02/780561402.db2.gz VWTPXNHPZJNHIG-OLZOCXBDSA-N 2 1 282.388 -1.131 20 0 CAADMP CNC(=O)CN1CCO[C@H]2C[N@H+](C3CC[NH2+]CC3)C[C@H]21 ZINC001246740246 780561413 /nfs/dbraw/zinc/56/14/13/780561413.db2.gz VWTPXNHPZJNHIG-OLZOCXBDSA-N 2 1 282.388 -1.131 20 0 CAADMP COC(=O)[C@H]1C[N@H+]([C@H]2CCNC3(C[NH2+]C3)C2)CCN1 ZINC001246691862 780561783 /nfs/dbraw/zinc/56/17/83/780561783.db2.gz GAQKNQRZLHSSRD-WDEREUQCSA-N 2 1 268.361 -1.473 20 0 CAADMP NC(=O)[C@@H]1C[C@H](F)C[N@@H+]1[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246806636 780561964 /nfs/dbraw/zinc/56/19/64/780561964.db2.gz YATHPCUDZHSMCM-GUBZILKMSA-N 2 1 256.325 -1.022 20 0 CAADMP NC(=O)[C@@H]1C[C@H](F)C[N@H+]1[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246806636 780561968 /nfs/dbraw/zinc/56/19/68/780561968.db2.gz YATHPCUDZHSMCM-GUBZILKMSA-N 2 1 256.325 -1.022 20 0 CAADMP COC(=O)[C@H]1C[C@H](N2CC[NH2+]C[C@H]2C(=O)OC)C[NH2+]1 ZINC001246857929 780562757 /nfs/dbraw/zinc/56/27/57/780562757.db2.gz XKBCBRAGZXXDRO-AEJSXWLSSA-N 2 1 271.317 -1.663 20 0 CAADMP CC1(C)C[N@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)CCN1CC(N)=O ZINC001246822296 780562981 /nfs/dbraw/zinc/56/29/81/780562981.db2.gz YEEMUVIBXOOHEC-GFCCVEGCSA-N 2 1 295.431 -1.038 20 0 CAADMP O=C1C[C@H](N2CC[NH2+]CCNCC[NH2+]CC2)CCN1 ZINC001246819054 780563512 /nfs/dbraw/zinc/56/35/12/780563512.db2.gz FRUQTGJUFQPCAE-GFCCVEGCSA-N 2 1 269.393 -1.651 20 0 CAADMP CC[C@@]1(C(=O)OC)C[C@H](N(CC[NH3+])CC[NH3+])C[NH2+]1 ZINC001246830679 780563530 /nfs/dbraw/zinc/56/35/30/780563530.db2.gz LJWJVIOSPPLMKF-JQWIXIFHSA-N 3 1 258.366 -1.111 20 0 CAADMP COC(=O)[C@@H]1C[C@@H](N2CC[NH2+]CCNCC[NH2+]CC2)C[NH2+]1 ZINC001246822834 780563557 /nfs/dbraw/zinc/56/35/57/780563557.db2.gz SVZUPXORDNOPSX-OLZOCXBDSA-N 3 1 299.419 -2.026 20 0 CAADMP C1[NH2+]CC12C[C@H]([NH+]1CCNCC[NH2+]CCNCC1)CS2 ZINC001246821373 780563612 /nfs/dbraw/zinc/56/36/12/780563612.db2.gz OEYXZWKGALKTPT-ZDUSSCGKSA-N 3 1 299.488 -1.082 20 0 CAADMP C1[NH2+]CC12C[C@@H]([NH+]1CCNCC[NH2+]CCNCC1)CCN2 ZINC001246821157 780563629 /nfs/dbraw/zinc/56/36/29/780563629.db2.gz MIASOHIKNFMICH-AWEZNQCLSA-N 3 1 296.463 -1.835 20 0 CAADMP COC(=O)[C@]1(N)CC[N@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246928439 780563870 /nfs/dbraw/zinc/56/38/70/780563870.db2.gz ZNRZPHBCFWJWIE-MFKMUULPSA-N 2 1 268.361 -1.343 20 0 CAADMP COC(=O)[C@@H]1C[C@@H](N2CC(N3CC[NH2+]CC3)C2)C[NH2+]1 ZINC001246894228 780563935 /nfs/dbraw/zinc/56/39/35/780563935.db2.gz MHSWFKFQXXAPMW-PWSUYJOCSA-N 2 1 268.361 -1.521 20 0 CAADMP COC(=O)[C@@H]1C[C@H](N2CC[NH2+][C@@H](CCO)C2)C[NH2+]1 ZINC001246871344 780563969 /nfs/dbraw/zinc/56/39/69/780563969.db2.gz QJXONOIPXPAXDW-DCAQKATOSA-N 2 1 257.334 -1.454 20 0 CAADMP COC(=O)[C@@]1(N)CC[N@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246928440 780564102 /nfs/dbraw/zinc/56/41/02/780564102.db2.gz ZNRZPHBCFWJWIE-ZWNOBZJWSA-N 2 1 268.361 -1.343 20 0 CAADMP COC(=O)[C@@H]1C[N@H+]([C@H]2CCOC3(C[NH2+]C3)C2)C[C@@H]1N ZINC001246929934 780564134 /nfs/dbraw/zinc/56/41/34/780564134.db2.gz ITBUPACFQRVUEY-AXFHLTTASA-N 2 1 269.345 -1.061 20 0 CAADMP COC(=O)[C@@H]1CN([C@H]2CCOC3(C[NH2+]C3)C2)C[C@@H]1[NH3+] ZINC001246929934 780564145 /nfs/dbraw/zinc/56/41/45/780564145.db2.gz ITBUPACFQRVUEY-AXFHLTTASA-N 2 1 269.345 -1.061 20 0 CAADMP C[N@@H+](CCN1CC[NH2+]CC1)[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246871854 780564652 /nfs/dbraw/zinc/56/46/52/780564652.db2.gz NNSQHHKPQXWBDA-CYBMUJFWSA-N 3 1 267.421 -1.083 20 0 CAADMP COC(=O)[C@@H]1C[N@H+]([C@H]2CCOC3(C[NH2+]C3)C2)C[C@H]1N ZINC001246929937 780564837 /nfs/dbraw/zinc/56/48/37/780564837.db2.gz ITBUPACFQRVUEY-HBNTYKKESA-N 2 1 269.345 -1.061 20 0 CAADMP COC(=O)[C@@H]1CN([C@H]2CCOC3(C[NH2+]C3)C2)C[C@H]1[NH3+] ZINC001246929937 780564841 /nfs/dbraw/zinc/56/48/41/780564841.db2.gz ITBUPACFQRVUEY-HBNTYKKESA-N 2 1 269.345 -1.061 20 0 CAADMP [NH3+]CCCNC(=O)C[N@H+](CCC[NH3+])[C@H]1CCNC(=O)C1 ZINC001246922949 780564875 /nfs/dbraw/zinc/56/48/75/780564875.db2.gz ZAPJXMOPNUHRIZ-NSHDSACASA-N 3 1 285.392 -1.619 20 0 CAADMP [NH3+]CCCNC(=O)C[N@@H+](CCC[NH3+])[C@H]1CCNC(=O)C1 ZINC001246922949 780564879 /nfs/dbraw/zinc/56/48/79/780564879.db2.gz ZAPJXMOPNUHRIZ-NSHDSACASA-N 3 1 285.392 -1.619 20 0 CAADMP COC(=O)[C@H]1C[C@@H](N2C[C@@H](C(=O)OC)[C@H]([NH3+])C2)C[NH2+]1 ZINC001246930154 780564886 /nfs/dbraw/zinc/56/48/86/780564886.db2.gz KAIMVGGWUFRWTG-ZYUZMQFOSA-N 2 1 271.317 -1.678 20 0 CAADMP N[C@H]1C[N@@H+]([C@H]2CCNC3(C[NH2+]C3)C2)CC12COC2 ZINC001246990791 780565797 /nfs/dbraw/zinc/56/57/97/780565797.db2.gz QPSQBPUNONXYRO-QWRGUYRKSA-N 2 1 252.362 -1.260 20 0 CAADMP N[C@H]1C[N@H+]([C@H]2CCNC3(C[NH2+]C3)C2)CC12COC2 ZINC001246990791 780565801 /nfs/dbraw/zinc/56/58/01/780565801.db2.gz QPSQBPUNONXYRO-QWRGUYRKSA-N 2 1 252.362 -1.260 20 0 CAADMP COC(=O)[C@@H]1C[N@H+](C)CCN1[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246944625 780565996 /nfs/dbraw/zinc/56/59/96/780565996.db2.gz IGHMLPVYEWXQDJ-RYUDHWBXSA-N 2 1 282.388 -1.131 20 0 CAADMP COC(=O)[C@@H]1C[N@@H+](C)CCN1[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246944625 780565999 /nfs/dbraw/zinc/56/59/99/780565999.db2.gz IGHMLPVYEWXQDJ-RYUDHWBXSA-N 2 1 282.388 -1.131 20 0 CAADMP COC(=O)[C@@H]1C[C@H](N2C[C@@H]([NH3+])C3(COC3)C2)C[NH2+]1 ZINC001246993317 780566146 /nfs/dbraw/zinc/56/61/46/780566146.db2.gz ZRISXADROZBUAW-LPEHRKFASA-N 2 1 255.318 -1.451 20 0 CAADMP COC(=O)[C@H]1C[N@H+](C)CCN1[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246944624 780566362 /nfs/dbraw/zinc/56/63/62/780566362.db2.gz IGHMLPVYEWXQDJ-NWDGAFQWSA-N 2 1 282.388 -1.131 20 0 CAADMP COC(=O)[C@H]1C[N@@H+](C)CCN1[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246944624 780566366 /nfs/dbraw/zinc/56/63/66/780566366.db2.gz IGHMLPVYEWXQDJ-NWDGAFQWSA-N 2 1 282.388 -1.131 20 0 CAADMP COC(=O)[C@@H]1C[N@H+](C)CCN1[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246944622 780566423 /nfs/dbraw/zinc/56/64/23/780566423.db2.gz IGHMLPVYEWXQDJ-NEPJUHHUSA-N 2 1 282.388 -1.131 20 0 CAADMP COC(=O)[C@@H]1C[N@@H+](C)CCN1[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246944622 780566434 /nfs/dbraw/zinc/56/64/34/780566434.db2.gz IGHMLPVYEWXQDJ-NEPJUHHUSA-N 2 1 282.388 -1.131 20 0 CAADMP COC(=O)[C@H]1C[N@H+](C)CCN1[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246944627 780566658 /nfs/dbraw/zinc/56/66/58/780566658.db2.gz IGHMLPVYEWXQDJ-VXGBXAGGSA-N 2 1 282.388 -1.131 20 0 CAADMP COC(=O)[C@H]1C[N@@H+](C)CCN1[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246944627 780566668 /nfs/dbraw/zinc/56/66/68/780566668.db2.gz IGHMLPVYEWXQDJ-VXGBXAGGSA-N 2 1 282.388 -1.131 20 0 CAADMP [NH3+][C@@H]1NCN([C@@H]2CC3CC[NH+](CC3)C2)[C@H]2NCN[C@@H]21 ZINC001254853049 780608855 /nfs/dbraw/zinc/60/88/55/780608855.db2.gz VLGYWXBERAORAI-FDYHWXHSSA-N 2 1 266.393 -1.537 20 0 CAADMP [NH3+][C@@H]1NCN([C@@H]2CC3CC[NH+](CC3)C2)[C@@H]2NCN[C@H]21 ZINC001254853051 780609029 /nfs/dbraw/zinc/60/90/29/780609029.db2.gz VLGYWXBERAORAI-XQHKEYJVSA-N 2 1 266.393 -1.537 20 0 CAADMP [NH3+][C@@H]1NCN([C@@H]2CC3CC[NH+](CC3)C2)[C@@H]2NCN[C@@H]21 ZINC001254853050 780609324 /nfs/dbraw/zinc/60/93/24/780609324.db2.gz VLGYWXBERAORAI-LPWJVIDDSA-N 2 1 266.393 -1.537 20 0 CAADMP [NH3+][C@@H]1NCN(C2CC[NH+](C3CC3)CC2)[C@@H]2NCN[C@H]21 ZINC001256073692 780619516 /nfs/dbraw/zinc/61/95/16/780619516.db2.gz AFJDXHNRTYNIMQ-XQQFMLRXSA-N 2 1 266.393 -1.394 20 0 CAADMP [NH3+][C@@H]1NCN(C2CC[NH+](C3CC3)CC2)[C@@H]2NCN[C@@H]21 ZINC001256073690 780620321 /nfs/dbraw/zinc/62/03/21/780620321.db2.gz AFJDXHNRTYNIMQ-UPJWGTAASA-N 2 1 266.393 -1.394 20 0 CAADMP [NH3+][C@@H]1NCN(C2CC[NH+](C3CC3)CC2)[C@H]2NCN[C@@H]21 ZINC001256073689 780620437 /nfs/dbraw/zinc/62/04/37/780620437.db2.gz AFJDXHNRTYNIMQ-JHJVBQTASA-N 2 1 266.393 -1.394 20 0 CAADMP NC(=O)C([NH2+]C1CCC([NH+]2CCOCC2)CC1)C(N)=O ZINC001256679215 780625991 /nfs/dbraw/zinc/62/59/91/780625991.db2.gz FZJCXEUICYHUIP-UHFFFAOYSA-N 2 1 284.360 -1.441 20 0 CAADMP CCC[NH+]1CCC(N2CN[C@H]([NH3+])[C@H]3NCN[C@@H]32)CC1 ZINC001258770127 780634942 /nfs/dbraw/zinc/63/49/42/780634942.db2.gz DJWLKBHXVBNQCS-FRRDWIJNSA-N 2 1 268.409 -1.147 20 0 CAADMP CCC[NH+]1CCC(N2CN[C@H]([NH3+])[C@@H]3NCN[C@@H]32)CC1 ZINC001258770128 780635072 /nfs/dbraw/zinc/63/50/72/780635072.db2.gz DJWLKBHXVBNQCS-RWMBFGLXSA-N 2 1 268.409 -1.147 20 0 CAADMP NC(=O)[C@@H]1C[N@H+](C[C@H]2CC3(C[NH2+]C3)CO2)CCO1 ZINC001262195310 780702896 /nfs/dbraw/zinc/70/28/96/780702896.db2.gz WVXNEHFMKNXXAI-ZJUUUORDSA-N 2 1 255.318 -1.449 20 0 CAADMP NC(=O)[C@@H]1C[N@@H+](C[C@H]2CC3(C[NH2+]C3)CO2)CCO1 ZINC001262195310 780702901 /nfs/dbraw/zinc/70/29/01/780702901.db2.gz WVXNEHFMKNXXAI-ZJUUUORDSA-N 2 1 255.318 -1.449 20 0 CAADMP [NH3+]CCOCC[N@@H+]1CCN2[C@@H](CNS2(=O)=O)C1 ZINC001262194971 780703079 /nfs/dbraw/zinc/70/30/79/780703079.db2.gz KITKHAJXJQHLCM-VIFPVBQESA-N 2 1 264.351 -2.204 20 0 CAADMP [NH3+]CCOCC[N@H+]1CCN2[C@@H](CNS2(=O)=O)C1 ZINC001262194971 780703082 /nfs/dbraw/zinc/70/30/82/780703082.db2.gz KITKHAJXJQHLCM-VIFPVBQESA-N 2 1 264.351 -2.204 20 0 CAADMP [NH3+]CCOCC[N@@H+]1CCN2[C@H](CNS2(=O)=O)C1 ZINC001262194970 780703254 /nfs/dbraw/zinc/70/32/54/780703254.db2.gz KITKHAJXJQHLCM-SECBINFHSA-N 2 1 264.351 -2.204 20 0 CAADMP [NH3+]CCOCC[N@H+]1CCN2[C@H](CNS2(=O)=O)C1 ZINC001262194970 780703259 /nfs/dbraw/zinc/70/32/59/780703259.db2.gz KITKHAJXJQHLCM-SECBINFHSA-N 2 1 264.351 -2.204 20 0 CAADMP C[NH+](C)C[C@H](O)C[NH2+]C[C@H](O)C[C@]1(O)CCOC1 ZINC001262489658 780712077 /nfs/dbraw/zinc/71/20/77/780712077.db2.gz FPQRSZZOJSBSNL-IJLUTSLNSA-N 2 1 262.350 -1.599 20 0 CAADMP C[C@@H]1CN(C(=O)C(=O)NC[C@H]2C[N@@H+](C)CCN2C)C[C@H]1[NH3+] ZINC001262542444 780714057 /nfs/dbraw/zinc/71/40/57/780714057.db2.gz AONUCKWNMLWBEG-GRYCIOLGSA-N 2 1 297.403 -1.846 20 0 CAADMP CN1CCN(C(=O)C[C@@H](O)C[NH3+])CC[N@@H+](C)CC1 ZINC001263245610 780725057 /nfs/dbraw/zinc/72/50/57/780725057.db2.gz OWLUAZFRRIXYJF-LLVKDONJSA-N 2 1 258.366 -1.598 20 0 CAADMP COC(=O)[C@@H](O)C[NH+]1CCN(CC[NH+](C)C)CC1 ZINC000385223757 780734260 /nfs/dbraw/zinc/73/42/60/780734260.db2.gz CTOVNHMFWGUMQU-NSHDSACASA-N 2 1 259.350 -1.301 20 0 CAADMP CN(CCC[NH+]1CCN(C)CC1)C(=O)[C@H]1C[NH2+]CCN1C ZINC001263113404 780721391 /nfs/dbraw/zinc/72/13/91/780721391.db2.gz HZMADEBKWSIHDH-CQSZACIVSA-N 2 1 297.447 -1.014 20 0 CAADMP CC[N@@H+]1CCO[C@@H](C(=O)N(C)C[C@@H](O)C[NH2+]C)C1 ZINC001263170277 780722312 /nfs/dbraw/zinc/72/23/12/780722312.db2.gz MNKUDJCGNXMRNH-WDEREUQCSA-N 2 1 259.350 -1.254 20 0 CAADMP CC[N@H+]1CCO[C@@H](C(=O)N(C)C[C@@H](O)C[NH2+]C)C1 ZINC001263170277 780722315 /nfs/dbraw/zinc/72/23/15/780722315.db2.gz MNKUDJCGNXMRNH-WDEREUQCSA-N 2 1 259.350 -1.254 20 0 CAADMP CC1(C)CC[N@@H+](CCNC(=O)CNC(=O)C[NH3+])C1 ZINC001263248085 780724580 /nfs/dbraw/zinc/72/45/80/780724580.db2.gz RNBJSQWFRYXDHE-UHFFFAOYSA-N 2 1 256.350 -1.091 20 0 CAADMP CN1CCN(C(=O)[C@@H]2C[NH2+]CCO2)CC[N@@H+](C)CC1 ZINC001263245705 780725227 /nfs/dbraw/zinc/72/52/27/780725227.db2.gz ROQYBOQCVFARLN-LBPRGKRZSA-N 2 1 270.377 -1.319 20 0 CAADMP CN1CC[NH2+]C[C@H]1C(=O)N1CCN(C)CC[N@@H+](C)CC1 ZINC001263245792 780725310 /nfs/dbraw/zinc/72/53/10/780725310.db2.gz VFTJJKCOWXIDRA-ZDUSSCGKSA-N 2 1 283.420 -1.404 20 0 CAADMP COC(=O)[C@H](O)C[NH+]1CCN(CC[NH+](C)C)CC1 ZINC000385223756 780734530 /nfs/dbraw/zinc/73/45/30/780734530.db2.gz CTOVNHMFWGUMQU-LLVKDONJSA-N 2 1 259.350 -1.301 20 0 CAADMP C[C@@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)[NH2+]CC(N)=O ZINC001265761151 780756620 /nfs/dbraw/zinc/75/66/20/780756620.db2.gz OLUJAKAAQFYOKJ-DTWKUNHWSA-N 2 1 258.322 -2.103 20 0 CAADMP C[C@@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)[NH2+]CC(N)=O ZINC001265761151 780756624 /nfs/dbraw/zinc/75/66/24/780756624.db2.gz OLUJAKAAQFYOKJ-DTWKUNHWSA-N 2 1 258.322 -2.103 20 0 CAADMP C[N@@H+](CCCNC(=O)[C@@H]1CCC[NH+]1C)CC(=O)NC(N)=O ZINC001265815245 780757892 /nfs/dbraw/zinc/75/78/92/780757892.db2.gz SWPMKAUUFDFKII-JTQLQIEISA-N 2 1 299.375 -1.286 20 0 CAADMP C[NH+](CCCNC(=O)[C@@H]1CCC[N@@H+]1C)CC(=O)NC(N)=O ZINC001265815245 780757899 /nfs/dbraw/zinc/75/78/99/780757899.db2.gz SWPMKAUUFDFKII-JTQLQIEISA-N 2 1 299.375 -1.286 20 0 CAADMP C[NH+](CCCNC(=O)[C@@H]1CCC[N@H+]1C)CC(=O)NC(N)=O ZINC001265815245 780757908 /nfs/dbraw/zinc/75/79/08/780757908.db2.gz SWPMKAUUFDFKII-JTQLQIEISA-N 2 1 299.375 -1.286 20 0 CAADMP C[N@@H+](CCCNC(=O)[C@H]1CCC[NH+]1C)CC(=O)NC(N)=O ZINC001265815246 780758930 /nfs/dbraw/zinc/75/89/30/780758930.db2.gz SWPMKAUUFDFKII-SNVBAGLBSA-N 2 1 299.375 -1.286 20 0 CAADMP C[NH+](CCCNC(=O)[C@H]1CCC[N@@H+]1C)CC(=O)NC(N)=O ZINC001265815246 780758931 /nfs/dbraw/zinc/75/89/31/780758931.db2.gz SWPMKAUUFDFKII-SNVBAGLBSA-N 2 1 299.375 -1.286 20 0 CAADMP C[NH+](CCCNC(=O)[C@H]1CCC[N@H+]1C)CC(=O)NC(N)=O ZINC001265815246 780758934 /nfs/dbraw/zinc/75/89/34/780758934.db2.gz SWPMKAUUFDFKII-SNVBAGLBSA-N 2 1 299.375 -1.286 20 0 CAADMP COCCOC[C@H](O)C[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000702571158 780768634 /nfs/dbraw/zinc/76/86/34/780768634.db2.gz WMALMCRVIPMZCO-NEPJUHHUSA-N 2 1 262.350 -1.334 20 0 CAADMP COCCOC[C@H](O)C[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000702571158 780768646 /nfs/dbraw/zinc/76/86/46/780768646.db2.gz WMALMCRVIPMZCO-NEPJUHHUSA-N 2 1 262.350 -1.334 20 0 CAADMP COCCOC[C@H](O)C[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000702571164 780769237 /nfs/dbraw/zinc/76/92/37/780769237.db2.gz WMALMCRVIPMZCO-VXGBXAGGSA-N 2 1 262.350 -1.334 20 0 CAADMP COCCOC[C@H](O)C[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000702571164 780769241 /nfs/dbraw/zinc/76/92/41/780769241.db2.gz WMALMCRVIPMZCO-VXGBXAGGSA-N 2 1 262.350 -1.334 20 0 CAADMP C[C@H](CCNC(=O)[C@H]1CC[N@@H+](C)C1)[NH2+]CC(N)=O ZINC001266190046 780771591 /nfs/dbraw/zinc/77/15/91/780771591.db2.gz XTYKKSAAKLQFGB-ZJUUUORDSA-N 2 1 256.350 -1.092 20 0 CAADMP C[C@@H](CCNC(=O)[C@H]1CC[N@@H+](C)C1)[NH2+]CC(N)=O ZINC001266190044 780771949 /nfs/dbraw/zinc/77/19/49/780771949.db2.gz XTYKKSAAKLQFGB-UWVGGRQHSA-N 2 1 256.350 -1.092 20 0 CAADMP C[N@@H+]1CCO[C@@H](C(=O)NC[C@H](CO)[NH2+]CCO)C1 ZINC001283742796 780860300 /nfs/dbraw/zinc/86/03/00/780860300.db2.gz NNHQNWRWDBUTSI-NXEZZACHSA-N 2 1 261.322 -2.624 20 0 CAADMP C[N@H+]1CCO[C@@H](C(=O)NC[C@H](CO)[NH2+]CCO)C1 ZINC001283742796 780860305 /nfs/dbraw/zinc/86/03/05/780860305.db2.gz NNHQNWRWDBUTSI-NXEZZACHSA-N 2 1 261.322 -2.624 20 0 CAADMP C[C@H]([NH2+]CCNC(=O)CC[NH+]1CCOCC1)C(N)=O ZINC001135340492 781361136 /nfs/dbraw/zinc/36/11/36/781361136.db2.gz BQOBQCIYKDMUNY-JTQLQIEISA-N 2 1 272.349 -1.712 20 0 CAADMP O=C(CC[NH+]1CCOCC1)NCC[NH2+]CCCO ZINC001135340469 781361407 /nfs/dbraw/zinc/36/14/07/781361407.db2.gz BDWPNMSCOYKUGY-UHFFFAOYSA-N 2 1 259.350 -1.203 20 0 CAADMP O=C(CC[NH+]1CCOCC1)NCC[NH2+][C@H]1CCCNC1=O ZINC001135352199 781363400 /nfs/dbraw/zinc/36/34/00/781363400.db2.gz CPIPBRWTTBIKOL-LBPRGKRZSA-N 2 1 298.387 -1.307 20 0 CAADMP CCNC(=O)C[NH2+]CCNC(=O)CC[NH+]1CCOCC1 ZINC001135350374 781363578 /nfs/dbraw/zinc/36/35/78/781363578.db2.gz UQJGGRZQADEAMU-UHFFFAOYSA-N 2 1 286.376 -1.449 20 0 CAADMP CC[C@@H]([NH2+]CCNC(=O)CC[NH+]1CCOCC1)C(N)=O ZINC001135352521 781363663 /nfs/dbraw/zinc/36/36/63/781363663.db2.gz FZBXWTQLZBUVIB-LLVKDONJSA-N 2 1 286.376 -1.322 20 0 CAADMP CNC(=O)[C@H](C)[NH2+]CCNC(=O)CC[NH+]1CCOCC1 ZINC001135352407 781363865 /nfs/dbraw/zinc/36/38/65/781363865.db2.gz DFEKKKBOWDJUKS-NSHDSACASA-N 2 1 286.376 -1.451 20 0 CAADMP COC[C@@H](O)C[NH2+]CCNC(=O)CC[NH+]1CCOCC1 ZINC001135352906 781363961 /nfs/dbraw/zinc/36/39/61/781363961.db2.gz YXIGHYLGOFMYEO-LBPRGKRZSA-N 2 1 289.376 -1.578 20 0 CAADMP [NH3+]C[C@H]1C[N@@H+](C[C@H](O)CC2(O)CC[NH2+]CC2)C[C@@H]1O ZINC001246019531 781398678 /nfs/dbraw/zinc/39/86/78/781398678.db2.gz FUJGLEIYNLDREW-TUAOUCFPSA-N 3 1 273.377 -1.897 20 0 CAADMP [NH3+]C[C@H]1CN(C[C@H](O)CC2(O)CC[NH2+]CC2)C[C@@H]1O ZINC001246019531 781398687 /nfs/dbraw/zinc/39/86/87/781398687.db2.gz FUJGLEIYNLDREW-TUAOUCFPSA-N 2 1 273.377 -1.897 20 0 CAADMP [NH3+]C[C@H]1C[N@@H+](C[C@@H](O)CC2(O)CC[NH2+]CC2)C[C@H]1O ZINC001246019527 781398933 /nfs/dbraw/zinc/39/89/33/781398933.db2.gz FUJGLEIYNLDREW-SDDRHHMPSA-N 3 1 273.377 -1.897 20 0 CAADMP [NH3+]C[C@H]1CN(C[C@@H](O)CC2(O)CC[NH2+]CC2)C[C@H]1O ZINC001246019527 781398945 /nfs/dbraw/zinc/39/89/45/781398945.db2.gz FUJGLEIYNLDREW-SDDRHHMPSA-N 2 1 273.377 -1.897 20 0 CAADMP CN1CCN(CC[NH2+][C@@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246090333 781404319 /nfs/dbraw/zinc/40/43/19/781404319.db2.gz WLOLIKKSRRTYPR-CYBMUJFWSA-N 2 1 267.421 -1.083 20 0 CAADMP CN1CCN(CC[NH2+][C@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246090336 781404342 /nfs/dbraw/zinc/40/43/42/781404342.db2.gz WLOLIKKSRRTYPR-ZDUSSCGKSA-N 2 1 267.421 -1.083 20 0 CAADMP OCC1([NH2+][C@@H]2CCNC3(C[NH2+]C3)C2)CCNCC1 ZINC001246109325 781406104 /nfs/dbraw/zinc/40/61/04/781406104.db2.gz AVEHMHJXXFYJER-LLVKDONJSA-N 2 1 254.378 -1.216 20 0 CAADMP C[NH+](C)[C@@H](Cn1cccn1)C(=O)NCCC[NH2+]CC(N)=O ZINC001159875841 781405932 /nfs/dbraw/zinc/40/59/32/781405932.db2.gz CEPKYZNURXOBFK-NSHDSACASA-N 2 1 296.375 -1.606 20 0 CAADMP C[NH+](C)[C@H](Cn1cccn1)C(=O)NCCC[NH2+]CC(N)=O ZINC001159875840 781406221 /nfs/dbraw/zinc/40/62/21/781406221.db2.gz CEPKYZNURXOBFK-LLVKDONJSA-N 2 1 296.375 -1.606 20 0 CAADMP C[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](CCO)C[C@H]2O)CC1 ZINC001090537690 781407781 /nfs/dbraw/zinc/40/77/81/781407781.db2.gz NATZNXMAUIGHND-CHWSQXEVSA-N 2 1 285.388 -1.128 20 0 CAADMP O=C(Cc1c[nH]cn1)N[C@@H]1CC[N@H+](CCO)C[C@H]1O ZINC001090601475 781411838 /nfs/dbraw/zinc/41/18/38/781411838.db2.gz RSVVIZDCKGVBNA-GHMZBOCLSA-N 2 1 268.317 -1.504 20 0 CAADMP O=C(Cc1c[nH]cn1)N[C@H]1CC[N@H+](CCO)C[C@@H]1O ZINC001090601477 781412035 /nfs/dbraw/zinc/41/20/35/781412035.db2.gz RSVVIZDCKGVBNA-QWRGUYRKSA-N 2 1 268.317 -1.504 20 0 CAADMP COC(=O)[C@@H](CN)C[NH2+][C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246236636 781420237 /nfs/dbraw/zinc/42/02/37/781420237.db2.gz PYXHDGQHHOFNQD-VHSXEESVSA-N 2 1 256.350 -1.582 20 0 CAADMP COC(=O)[C@H](C[NH3+])C[NH2+][C@H]1CN[C@H](C(=O)OC)C1 ZINC001246236243 781420629 /nfs/dbraw/zinc/42/06/29/781420629.db2.gz OLPGIEFPGRNMAY-HLTSFMKQSA-N 2 1 259.306 -1.773 20 0 CAADMP O=C([C@@H]1C[C@@H](N[C@H]2C[NH2+]CCC2=O)C[NH2+]1)N1CCSC1 ZINC001246287993 781427495 /nfs/dbraw/zinc/42/74/95/781427495.db2.gz HBLJTTMWMIILFB-VWYCJHECSA-N 2 1 298.412 -1.230 20 0 CAADMP CS(=O)(=O)N1CCC([NH2+][C@@H]2C[NH2+]C[C@H]2CO)CC1 ZINC001246300787 781429299 /nfs/dbraw/zinc/42/92/99/781429299.db2.gz TZIOABKCYQWOKD-GXSJLCMTSA-N 2 1 277.390 -1.420 20 0 CAADMP CS(=O)(=O)N1CCC([NH2+][C@@H]2C[NH2+]C[C@@H]2CO)CC1 ZINC001246300792 781429472 /nfs/dbraw/zinc/42/94/72/781429472.db2.gz TZIOABKCYQWOKD-MWLCHTKSSA-N 2 1 277.390 -1.420 20 0 CAADMP O=C1C[NH2+]CCN1CC[NH2+][C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246355550 781433155 /nfs/dbraw/zinc/43/31/55/781433155.db2.gz JEARCPRHLIEWIV-NSHDSACASA-N 3 1 267.377 -1.898 20 0 CAADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CC[N@H+](CCO)C[C@@H]1O ZINC001090808393 781433573 /nfs/dbraw/zinc/43/35/73/781433573.db2.gz KDECYUFQRMUYRZ-NEPJUHHUSA-N 2 1 282.344 -1.265 20 0 CAADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CC[N@@H+](CCO)C[C@@H]1O ZINC001090808393 781433580 /nfs/dbraw/zinc/43/35/80/781433580.db2.gz KDECYUFQRMUYRZ-NEPJUHHUSA-N 2 1 282.344 -1.265 20 0 CAADMP O=C(C[NH+]1CCCC1)N[C@H]1CC[N@H+](CCO)C[C@@H]1O ZINC001090816540 781435504 /nfs/dbraw/zinc/43/55/04/781435504.db2.gz PGABEIHHWWEMAQ-RYUDHWBXSA-N 2 1 271.361 -1.374 20 0 CAADMP O=C(C[NH+]1CCCC1)N[C@H]1CC[N@H+](CCO)C[C@H]1O ZINC001090816537 781435661 /nfs/dbraw/zinc/43/56/61/781435661.db2.gz PGABEIHHWWEMAQ-NWDGAFQWSA-N 2 1 271.361 -1.374 20 0 CAADMP O=C(C[NH+]1CCCC1)N[C@@H]1CC[N@H+](CCO)C[C@H]1O ZINC001090816542 781435727 /nfs/dbraw/zinc/43/57/27/781435727.db2.gz PGABEIHHWWEMAQ-VXGBXAGGSA-N 2 1 271.361 -1.374 20 0 CAADMP C[NH+]1CCC(CC(=O)N2CN[C@H]([NH3+])[C@H]3NCN[C@H]32)CC1 ZINC001143366717 781438170 /nfs/dbraw/zinc/43/81/70/781438170.db2.gz GOBSRNUPXMSFMG-AGIUHOORSA-N 2 1 282.392 -1.763 20 0 CAADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC2CC([NH2+]CC(N)=O)C2)O1 ZINC001091097839 781456500 /nfs/dbraw/zinc/45/65/00/781456500.db2.gz XAYGGRSKAJOKNC-HBIQZDMRSA-N 2 1 298.387 -1.325 20 0 CAADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC2CC([NH2+]CC(N)=O)C2)O1 ZINC001091097839 781456507 /nfs/dbraw/zinc/45/65/07/781456507.db2.gz XAYGGRSKAJOKNC-HBIQZDMRSA-N 2 1 298.387 -1.325 20 0 CAADMP C[C@@H](CC(=O)N1CCOCC1)[N@H+]1C[C@H](O)[C@@H](C[NH3+])C1 ZINC001246577647 781461202 /nfs/dbraw/zinc/46/12/02/781461202.db2.gz CDAITZMYSNKUFD-SRVKXCTJSA-N 2 1 271.361 -1.125 20 0 CAADMP CC[C@]1(C(=O)OC)C[C@H](N2C[C@@H](O)[C@@H](C[NH3+])C2)C[NH2+]1 ZINC001246580719 781462150 /nfs/dbraw/zinc/46/21/50/781462150.db2.gz OATNLBUKOOPFGE-MEWQQHAOSA-N 2 1 271.361 -1.079 20 0 CAADMP CS(=O)(=O)N1CCC([N@@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)CC1 ZINC001246585948 781462596 /nfs/dbraw/zinc/46/25/96/781462596.db2.gz PBDMSMUBVOFMEC-GXSJLCMTSA-N 2 1 277.390 -1.338 20 0 CAADMP CS(=O)(=O)N1CCC([N@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)CC1 ZINC001246585948 781462604 /nfs/dbraw/zinc/46/26/04/781462604.db2.gz PBDMSMUBVOFMEC-GXSJLCMTSA-N 2 1 277.390 -1.338 20 0 CAADMP COC[C@H]1C[NH2+]CCN1[C@@H]1C[NH2+][C@H](C(=O)OC)C1 ZINC001246593476 781463770 /nfs/dbraw/zinc/46/37/70/781463770.db2.gz ICLYOZFMJLFAOH-AXFHLTTASA-N 2 1 257.334 -1.190 20 0 CAADMP C[N@H+]1CC[C@H](CC(=O)NCCC[NH2+]CC(=O)NC(N)=O)C1 ZINC001171216837 781464076 /nfs/dbraw/zinc/46/40/76/781464076.db2.gz JCHKVRMNOZDXMD-SNVBAGLBSA-N 2 1 299.375 -1.381 20 0 CAADMP C[N@H+]1CC[C@@H](CC(=O)NCCC[NH2+]CC(=O)NC(N)=O)C1 ZINC001171216836 781464161 /nfs/dbraw/zinc/46/41/61/781464161.db2.gz JCHKVRMNOZDXMD-JTQLQIEISA-N 2 1 299.375 -1.381 20 0 CAADMP COC(=O)[C@H]1C[C@@H]([N@H+]2CCNC3(CC[NH2+]CC3)C2)CN1 ZINC001246599715 781465745 /nfs/dbraw/zinc/46/57/45/781465745.db2.gz DGWUGDNUQYFXLM-VXGBXAGGSA-N 2 1 282.388 -1.083 20 0 CAADMP C[C@H]([NH2+]CCNC(=O)C[C@@H]1CC[N@@H+](C)C1)C(N)=O ZINC001147885987 781523520 /nfs/dbraw/zinc/52/35/20/781523520.db2.gz RCCRNSDGGUOXRA-UWVGGRQHSA-N 2 1 256.350 -1.092 20 0 CAADMP O=S1(=O)CC[C@H](N2CC[NH2+]C[C@@]23CC[NH2+]C3)C1 ZINC001246622056 781475722 /nfs/dbraw/zinc/47/57/22/781475722.db2.gz GDLPQVXTWNBTAL-QWRGUYRKSA-N 2 1 259.375 -1.189 20 0 CAADMP COC(=O)[C@@H]1C[C@@H](N2CCN3CC[NH2+]C[C@H]3C2)C[NH2+]1 ZINC001246624714 781476772 /nfs/dbraw/zinc/47/67/72/781476772.db2.gz OIDJBLJSCHDEIJ-WOPDTQHZSA-N 2 1 268.361 -1.521 20 0 CAADMP COC(=O)[C@@H]1C[C@H](N2CCN[C@@]3(CC[NH2+]C3)C2)C[NH2+]1 ZINC001246646696 781477914 /nfs/dbraw/zinc/47/79/14/781477914.db2.gz XITLCYDGTADVAI-GMXVVIOVSA-N 2 1 268.361 -1.473 20 0 CAADMP COC(=O)[C@H]1C[C@H](N2CCN[C@]3(CC[NH2+]C3)C2)C[NH2+]1 ZINC001246646707 781478568 /nfs/dbraw/zinc/47/85/68/781478568.db2.gz XITLCYDGTADVAI-LOWVWBTDSA-N 2 1 268.361 -1.473 20 0 CAADMP COC(=O)[C@@H]1C[C@H](N2CCN[C@]3(CC[NH2+]C3)C2)C[NH2+]1 ZINC001246646701 781479221 /nfs/dbraw/zinc/47/92/21/781479221.db2.gz XITLCYDGTADVAI-GVXVVHGQSA-N 2 1 268.361 -1.473 20 0 CAADMP C1[NH2+]CC12C[C@H]([N@H+]1C[C@@H]3COC[C@H](C1)N3)CCN2 ZINC001246672271 781480307 /nfs/dbraw/zinc/48/03/07/781480307.db2.gz JCHVBFPRMIBDJJ-GRYCIOLGSA-N 2 1 252.362 -1.247 20 0 CAADMP COC(=O)[C@@H]1C[C@@H](N2CCO[C@H]3CC[NH2+]C[C@@H]32)C[NH2+]1 ZINC001246666476 781480539 /nfs/dbraw/zinc/48/05/39/781480539.db2.gz VYABWPMMWQKGPK-RHYQMDGZSA-N 2 1 269.345 -1.047 20 0 CAADMP OC[C@@]12C[NH2+]C[C@@H]1C[N@H+]([C@@H]1CCNC3(C[NH2+]C3)C1)C2 ZINC001246648399 781480789 /nfs/dbraw/zinc/48/07/89/781480789.db2.gz YBNBKTMDASGFNU-UPJWGTAASA-N 3 1 266.389 -1.406 20 0 CAADMP COC(=O)[C@@H]1C[C@@H](N2C[C@H](C(=O)OC)C[C@H]([NH3+])C2)C[NH2+]1 ZINC001246795599 781482122 /nfs/dbraw/zinc/48/21/22/781482122.db2.gz CSHMKJLXSAXAAP-YTWAJWBKSA-N 2 1 285.344 -1.288 20 0 CAADMP CS(=O)(=O)N(C1C[NH2+]C1)[C@@H]1CC[NH2+]C2(CNC2)C1 ZINC001246828672 781482413 /nfs/dbraw/zinc/48/24/13/781482413.db2.gz FREAZPOEDYCGLN-SECBINFHSA-N 2 1 274.390 -1.686 20 0 CAADMP COC(=O)[C@@H]1C[C@H](N2CC[C@H]3COC[C@@H](C2)[NH2+]3)C[NH2+]1 ZINC001246853565 781484943 /nfs/dbraw/zinc/48/49/43/781484943.db2.gz MPUTWTYPPPOUSL-USZNOCQGSA-N 2 1 269.345 -1.047 20 0 CAADMP COC(=O)[C@H]1C[C@H](N2C[C@H]3COC[C@@H](C2)C3[NH3+])C[NH2+]1 ZINC001246858836 781485654 /nfs/dbraw/zinc/48/56/54/781485654.db2.gz ILELZMFUBKXERC-ZLZKJVMXSA-N 2 1 269.345 -1.205 20 0 CAADMP COC(=O)[C@H]1C[C@@H](N2C[C@H]3COC[C@@H](C2)C3[NH3+])C[NH2+]1 ZINC001246858830 781485672 /nfs/dbraw/zinc/48/56/72/781485672.db2.gz ILELZMFUBKXERC-JWISSMICSA-N 2 1 269.345 -1.205 20 0 CAADMP COC(=O)[C@@H]1C[C@@H](N2CC[C@H]3COC[C@@H](C2)[NH2+]3)C[NH2+]1 ZINC001246853558 781485885 /nfs/dbraw/zinc/48/58/85/781485885.db2.gz MPUTWTYPPPOUSL-QCNOEVLYSA-N 2 1 269.345 -1.047 20 0 CAADMP CC[N@@H+](C)CCC(=O)NCC[NH2+]CCN1C(=O)CNC1=O ZINC001146709649 781491174 /nfs/dbraw/zinc/49/11/74/781491174.db2.gz AMZLVQPKENAHKR-UHFFFAOYSA-N 2 1 299.375 -1.414 20 0 CAADMP CC[NH+]1CCC(C(=O)N2CN[C@H]([NH3+])[C@H]3NCN[C@@H]32)CC1 ZINC001146793176 781492051 /nfs/dbraw/zinc/49/20/51/781492051.db2.gz WQVJNWHCZFXCAI-GRYCIOLGSA-N 2 1 282.392 -1.763 20 0 CAADMP COC(=O)[C@@H]1C[C@H](N2C[C@@H]([NH3+])C[C@H]2C(=O)OC)C[NH2+]1 ZINC001246910006 781502845 /nfs/dbraw/zinc/50/28/45/781502845.db2.gz YZZGOXRBDSKNDL-XKNYDFJKSA-N 2 1 271.317 -1.536 20 0 CAADMP C[N@H+]1CC[C@H](CC(=O)NCC[NH2+][C@@H]2CCNC2=O)C1 ZINC001147886033 781522571 /nfs/dbraw/zinc/52/25/71/781522571.db2.gz RTNQEKDJUDHWMC-GHMZBOCLSA-N 2 1 268.361 -1.078 20 0 CAADMP C[C@@H]([NH2+]CCNC(=O)C[C@@H]1CC[N@@H+](C)C1)C(N)=O ZINC001147885989 781522698 /nfs/dbraw/zinc/52/26/98/781522698.db2.gz RCCRNSDGGUOXRA-ZJUUUORDSA-N 2 1 256.350 -1.092 20 0 CAADMP C[N@H+]1CC[C@@H](CC(=O)NCC[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001147885607 781522996 /nfs/dbraw/zinc/52/29/96/781522996.db2.gz NNLMFVXTEBKQGS-WDEREUQCSA-N 2 1 296.371 -1.161 20 0 CAADMP Cn1cnnc1C[NH2+]CCNC(=O)COCC[NH+](C)C ZINC001147842351 781523079 /nfs/dbraw/zinc/52/30/79/781523079.db2.gz TYHPMYJQEWTMAT-UHFFFAOYSA-N 2 1 284.364 -1.401 20 0 CAADMP Cn1ncnc1C[NH2+]CCNC(=O)COCC[NH+](C)C ZINC001147842449 781523341 /nfs/dbraw/zinc/52/33/41/781523341.db2.gz YKFFPRJDVFELAR-UHFFFAOYSA-N 2 1 284.364 -1.401 20 0 CAADMP C[C@H]([NH2+]CCNC(=O)C[C@H]1CC[N@@H+](C)C1)C(N)=O ZINC001147885988 781523423 /nfs/dbraw/zinc/52/34/23/781523423.db2.gz RCCRNSDGGUOXRA-VHSXEESVSA-N 2 1 256.350 -1.092 20 0 CAADMP C[N@H+]1CC[C@@H](CC(=O)NCC[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001147885605 781523467 /nfs/dbraw/zinc/52/34/67/781523467.db2.gz NNLMFVXTEBKQGS-QWRGUYRKSA-N 2 1 296.371 -1.161 20 0 CAADMP Cn1nnnc1C[NH2+]CCNC(=O)COCC[NH+](C)C ZINC001147841283 781523693 /nfs/dbraw/zinc/52/36/93/781523693.db2.gz CUOPEVDQCYXJME-UHFFFAOYSA-N 2 1 285.352 -2.006 20 0 CAADMP COCCOC[C@H](O)C[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000234863298 781524893 /nfs/dbraw/zinc/52/48/93/781524893.db2.gz RJZYBMNRDGUYBD-CYBMUJFWSA-N 2 1 275.393 -1.153 20 0 CAADMP C[C@@H]([NH2+]CCNC(=O)C[C@H]1CC[N@@H+](C)C1)C(=O)NC(N)=O ZINC001147899929 781525139 /nfs/dbraw/zinc/52/51/39/781525139.db2.gz CUDSEOBUGXMJNI-NXEZZACHSA-N 2 1 299.375 -1.383 20 0 CAADMP Cn1nnnc1C[NH2+]CCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001147877386 781525643 /nfs/dbraw/zinc/52/56/43/781525643.db2.gz IXRNOEMWTSRRRD-SNVBAGLBSA-N 2 1 281.364 -1.242 20 0 CAADMP Cn1nnnc1C[NH2+]CCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001147877386 781525645 /nfs/dbraw/zinc/52/56/45/781525645.db2.gz IXRNOEMWTSRRRD-SNVBAGLBSA-N 2 1 281.364 -1.242 20 0 CAADMP C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N1C[C@H]2CCC[N@@H+](C)[C@@H]2C1 ZINC001161085296 781526850 /nfs/dbraw/zinc/52/68/50/781526850.db2.gz SIKRGBZYYPKBDR-WHOHXGKFSA-N 2 1 298.387 -1.637 20 0 CAADMP C[NH+](C)CCOCC(=O)N1CC2(C1)CC[N@H+](CC(N)=O)C2 ZINC001148605371 781536675 /nfs/dbraw/zinc/53/66/75/781536675.db2.gz PSASHJJMTCMVKJ-UHFFFAOYSA-N 2 1 298.387 -1.416 20 0 CAADMP C[NH+](C)CCOCC(=O)N1CC2(C1)CC[N@@H+](CC(N)=O)C2 ZINC001148605371 781536678 /nfs/dbraw/zinc/53/66/78/781536678.db2.gz PSASHJJMTCMVKJ-UHFFFAOYSA-N 2 1 298.387 -1.416 20 0 CAADMP CCC[N@@H+](C)CC(=O)NCC[NH2+]CCNS(C)(=O)=O ZINC001148642443 781537052 /nfs/dbraw/zinc/53/70/52/781537052.db2.gz JCFZEZGALGHNCR-UHFFFAOYSA-N 2 1 294.421 -1.417 20 0 CAADMP CCC[N@@H+](C)CC(=O)NCC[NH2+]CC(=O)NC(N)=O ZINC001148639000 781538881 /nfs/dbraw/zinc/53/88/81/781538881.db2.gz XAPWMLLOOBHXLX-UHFFFAOYSA-N 2 1 273.337 -1.771 20 0 CAADMP C[C@@H]1C[N@H+](CCO)C[C@H]1CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001092523886 781548417 /nfs/dbraw/zinc/54/84/17/781548417.db2.gz MYXWFTBWKHEVDG-JHJVBQTASA-N 2 1 285.388 -1.007 20 0 CAADMP C[C@@H]1C[N@@H+](CCO)C[C@H]1CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001092523886 781548423 /nfs/dbraw/zinc/54/84/23/781548423.db2.gz MYXWFTBWKHEVDG-JHJVBQTASA-N 2 1 285.388 -1.007 20 0 CAADMP C[C@@H]1C[NH+](CCO)C[C@H]1CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001092523886 781548427 /nfs/dbraw/zinc/54/84/27/781548427.db2.gz MYXWFTBWKHEVDG-JHJVBQTASA-N 2 1 285.388 -1.007 20 0 CAADMP C[C@@H]1C[NH+](CCO)C[C@H]1CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001092523886 781548435 /nfs/dbraw/zinc/54/84/35/781548435.db2.gz MYXWFTBWKHEVDG-JHJVBQTASA-N 2 1 285.388 -1.007 20 0 CAADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](N1CN[C@H]([NH3+])[C@H]3NCN[C@@H]31)C2 ZINC001172111521 781575511 /nfs/dbraw/zinc/57/55/11/781575511.db2.gz VETRIAHPXMTMJI-GUDWOMEESA-N 2 1 280.420 -1.006 20 0 CAADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](N1CN[C@H]([NH3+])[C@H]3NCN[C@@H]31)C2 ZINC001172111521 781575517 /nfs/dbraw/zinc/57/55/17/781575517.db2.gz VETRIAHPXMTMJI-GUDWOMEESA-N 2 1 280.420 -1.006 20 0 CAADMP COCCC[NH+]1CCC(N2CN[C@H]([NH3+])[C@H]3NCN[C@H]32)CC1 ZINC001172250584 781576116 /nfs/dbraw/zinc/57/61/16/781576116.db2.gz YSXOMOBTUOKYBE-RDBSUJKOSA-N 2 1 298.435 -1.520 20 0 CAADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](N1CN[C@H]([NH3+])[C@@H]3NCN[C@@H]31)C2 ZINC001172111528 781576190 /nfs/dbraw/zinc/57/61/90/781576190.db2.gz VETRIAHPXMTMJI-ZSOGLFGHSA-N 2 1 280.420 -1.006 20 0 CAADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](N1CN[C@H]([NH3+])[C@@H]3NCN[C@@H]31)C2 ZINC001172111528 781576198 /nfs/dbraw/zinc/57/61/98/781576198.db2.gz VETRIAHPXMTMJI-ZSOGLFGHSA-N 2 1 280.420 -1.006 20 0 CAADMP COCCC[NH+]1CCC(N2CN[C@H]([NH3+])[C@@H]3NCN[C@@H]32)CC1 ZINC001172250582 781576234 /nfs/dbraw/zinc/57/62/34/781576234.db2.gz YSXOMOBTUOKYBE-MELADBBJSA-N 2 1 298.435 -1.520 20 0 CAADMP COC(=O)[C@@H]1C[C@H]([NH2+]C[C@H](O)C[NH3+])C[C@@H]1C(=O)OC ZINC001173563104 781581925 /nfs/dbraw/zinc/58/19/25/781581925.db2.gz WJCHOQULXJHFJU-DOLQZWNJSA-N 2 1 274.317 -1.364 20 0 CAADMP C[N@H+]1CC[C@H](C(=O)NCCC[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001176057708 781597330 /nfs/dbraw/zinc/59/73/30/781597330.db2.gz RMQZFFBESLLTMO-QWRGUYRKSA-N 2 1 296.371 -1.161 20 0 CAADMP C[C@@H]([NH2+]CCCNC(=O)[C@@H]1CC[N@@H+](C)C1)C(=O)NC(N)=O ZINC001176096723 781597423 /nfs/dbraw/zinc/59/74/23/781597423.db2.gz YKRPDNIJSQDLJX-NXEZZACHSA-N 2 1 299.375 -1.383 20 0 CAADMP C[N@H+]1CC[C@@H](C(=O)NCCC[NH2+][C@H]2CCNC2=O)C1 ZINC001176071549 781597466 /nfs/dbraw/zinc/59/74/66/781597466.db2.gz FRBIPBWRIRYMST-MNOVXSKESA-N 2 1 268.361 -1.078 20 0 CAADMP C[C@@H]([NH2+]CCCNC(=O)[C@@H]1CC[N@@H+](C)C1)C(N)=O ZINC001176056590 781597536 /nfs/dbraw/zinc/59/75/36/781597536.db2.gz HRGSFTNVPLVOSC-NXEZZACHSA-N 2 1 256.350 -1.092 20 0 CAADMP Cn1[nH]c(C[NH2+]CCCNC(=O)[C@H]2CC[N@@H+](C)C2)nc1=O ZINC001176072453 781597690 /nfs/dbraw/zinc/59/76/90/781597690.db2.gz ULDMZBZUHLSNPA-JTQLQIEISA-N 2 1 296.375 -1.344 20 0 CAADMP Cn1[nH]c(C[NH2+]CCCNC(=O)[C@@H]2CC[N@@H+](C)C2)nc1=O ZINC001176072454 781598138 /nfs/dbraw/zinc/59/81/38/781598138.db2.gz ULDMZBZUHLSNPA-SNVBAGLBSA-N 2 1 296.375 -1.344 20 0 CAADMP CNC(=O)C[NH2+]CCCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001176058138 781598206 /nfs/dbraw/zinc/59/82/06/781598206.db2.gz VHWNJSRYUPYTSU-JTQLQIEISA-N 2 1 256.350 -1.220 20 0 CAADMP CC[N@@H+]1CCO[C@H](C(=O)NCCC[NH2+][C@@H](C)C(N)=O)C1 ZINC001176636620 781602921 /nfs/dbraw/zinc/60/29/21/781602921.db2.gz QUTXUNIDTAKHHN-QWRGUYRKSA-N 2 1 286.376 -1.323 20 0 CAADMP CC[N@H+]1CCO[C@H](C(=O)NCCC[NH2+][C@@H](C)C(N)=O)C1 ZINC001176636620 781602927 /nfs/dbraw/zinc/60/29/27/781602927.db2.gz QUTXUNIDTAKHHN-QWRGUYRKSA-N 2 1 286.376 -1.323 20 0 CAADMP CC[N@@H+]1CCO[C@H](C(=O)NCCC[NH2+]CC(=O)NC)C1 ZINC001176628697 781603781 /nfs/dbraw/zinc/60/37/81/781603781.db2.gz WSLXZTLBHNOZPD-NSHDSACASA-N 2 1 286.376 -1.451 20 0 CAADMP CC[N@H+]1CCO[C@H](C(=O)NCCC[NH2+]CC(=O)NC)C1 ZINC001176628697 781603786 /nfs/dbraw/zinc/60/37/86/781603786.db2.gz WSLXZTLBHNOZPD-NSHDSACASA-N 2 1 286.376 -1.451 20 0 CAADMP CC[N@@H+]1CCO[C@@H](C(=O)NCCC[NH2+][C@@H](C)C(N)=O)C1 ZINC001176636621 781603881 /nfs/dbraw/zinc/60/38/81/781603881.db2.gz QUTXUNIDTAKHHN-WDEREUQCSA-N 2 1 286.376 -1.323 20 0 CAADMP CC[N@H+]1CCO[C@@H](C(=O)NCCC[NH2+][C@@H](C)C(N)=O)C1 ZINC001176636621 781603886 /nfs/dbraw/zinc/60/38/86/781603886.db2.gz QUTXUNIDTAKHHN-WDEREUQCSA-N 2 1 286.376 -1.323 20 0 CAADMP CC[N@@H+]1CCO[C@H](C(=O)NCCC[NH2+][C@H]2CCNC2=O)C1 ZINC001176644175 781604064 /nfs/dbraw/zinc/60/40/64/781604064.db2.gz NEGDIGZYVVHISD-RYUDHWBXSA-N 2 1 298.387 -1.309 20 0 CAADMP CC[N@H+]1CCO[C@H](C(=O)NCCC[NH2+][C@H]2CCNC2=O)C1 ZINC001176644175 781604071 /nfs/dbraw/zinc/60/40/71/781604071.db2.gz NEGDIGZYVVHISD-RYUDHWBXSA-N 2 1 298.387 -1.309 20 0 CAADMP C[NH+]1CCN(CC(=O)N(CC[NH3+])S(C)(=O)=O)CC1 ZINC001178946519 781641247 /nfs/dbraw/zinc/64/12/47/781641247.db2.gz JNHAWHWJXUAXJZ-UHFFFAOYSA-N 2 1 278.378 -2.019 20 0 CAADMP C[NH+]1CCN(CC(=O)n2cnc(C[NH3+])cc2=N)CC1 ZINC001178952566 781641641 /nfs/dbraw/zinc/64/16/41/781641641.db2.gz LYMWIYXALWECCU-UHFFFAOYSA-N 2 1 264.333 -1.291 20 0 CAADMP C[NH+]1CCN(CC(=O)NCCN2CCC[N@H+](C)CC2)CC1 ZINC001178953962 781643566 /nfs/dbraw/zinc/64/35/66/781643566.db2.gz SVODSRHVOSAURJ-UHFFFAOYSA-N 2 1 297.447 -1.013 20 0 CAADMP C[NH+]1CCN(CC(=O)NCCN2CCC[N@@H+](C)CC2)CC1 ZINC001178953962 781643569 /nfs/dbraw/zinc/64/35/69/781643569.db2.gz SVODSRHVOSAURJ-UHFFFAOYSA-N 2 1 297.447 -1.013 20 0 CAADMP C[N@H+](CC(=O)N1CN[C@H]([NH3+])[C@@H]2NCN[C@@H]21)C1CCCC1 ZINC001180630924 781672477 /nfs/dbraw/zinc/67/24/77/781672477.db2.gz RUWCGBZAAJTTDT-RWMBFGLXSA-N 2 1 282.392 -1.620 20 0 CAADMP C[N@@H+](CC(=O)N1CN[C@H]([NH3+])[C@@H]2NCN[C@@H]21)C1CCCC1 ZINC001180630924 781672484 /nfs/dbraw/zinc/67/24/84/781672484.db2.gz RUWCGBZAAJTTDT-RWMBFGLXSA-N 2 1 282.392 -1.620 20 0 CAADMP C[N@@H+]1CCO[C@@H](C(=O)NCCN(CC[NH3+])N(O)N=O)C1 ZINC001180763883 781678645 /nfs/dbraw/zinc/67/86/45/781678645.db2.gz OIWOAZDOWXJZKY-SECBINFHSA-N 2 1 290.324 -2.019 20 0 CAADMP C[N@H+]1CCO[C@@H](C(=O)NCCN(CC[NH3+])N(O)N=O)C1 ZINC001180763883 781678649 /nfs/dbraw/zinc/67/86/49/781678649.db2.gz OIWOAZDOWXJZKY-SECBINFHSA-N 2 1 290.324 -2.019 20 0 CAADMP C[N@@H+]1CCO[C@H](C(=O)NCCN(CC[NH3+])N(O)N=O)C1 ZINC001180763884 781678942 /nfs/dbraw/zinc/67/89/42/781678942.db2.gz OIWOAZDOWXJZKY-VIFPVBQESA-N 2 1 290.324 -2.019 20 0 CAADMP C[N@H+]1CCO[C@H](C(=O)NCCN(CC[NH3+])N(O)N=O)C1 ZINC001180763884 781678946 /nfs/dbraw/zinc/67/89/46/781678946.db2.gz OIWOAZDOWXJZKY-VIFPVBQESA-N 2 1 290.324 -2.019 20 0 CAADMP CCOC(=O)CN(CC[NH3+])C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001180763787 781679000 /nfs/dbraw/zinc/67/90/00/781679000.db2.gz LZUUWYASVIRZHN-JTQLQIEISA-N 2 1 273.333 -1.333 20 0 CAADMP CCOC(=O)CN(CC[NH3+])C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001180763787 781679004 /nfs/dbraw/zinc/67/90/04/781679004.db2.gz LZUUWYASVIRZHN-JTQLQIEISA-N 2 1 273.333 -1.333 20 0 CAADMP [NH3+][C@@H]1NCN(C(=O)CC23CCC[NH+]2CCC3)[C@@H]2NCN[C@@H]21 ZINC001181114307 781687016 /nfs/dbraw/zinc/68/70/16/781687016.db2.gz NQKKEOLAAJTDDE-UPJWGTAASA-N 2 1 294.403 -1.476 20 0 CAADMP Cn1nnnc1C[NH2+]CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001151048662 781696480 /nfs/dbraw/zinc/69/64/80/781696480.db2.gz CUUGWMPMUITUCI-VIFPVBQESA-N 2 1 267.337 -1.632 20 0 CAADMP Cn1nnnc1C[NH2+]CCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001151048662 781696484 /nfs/dbraw/zinc/69/64/84/781696484.db2.gz CUUGWMPMUITUCI-VIFPVBQESA-N 2 1 267.337 -1.632 20 0 CAADMP C[N@H+]1CC[C@@H](C(=O)NCC[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001151056351 781698572 /nfs/dbraw/zinc/69/85/72/781698572.db2.gz LNPMVYNHOQGPNV-NXEZZACHSA-N 2 1 282.344 -1.551 20 0 CAADMP C[N@H+]1CC[C@@H](C(=O)NCC[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001151056354 781700176 /nfs/dbraw/zinc/70/01/76/781700176.db2.gz LNPMVYNHOQGPNV-ZJUUUORDSA-N 2 1 282.344 -1.551 20 0 CAADMP CNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001151065937 781701079 /nfs/dbraw/zinc/70/10/79/781701079.db2.gz OKLIUMFEYNTBGC-VHSXEESVSA-N 2 1 256.350 -1.222 20 0 CAADMP CN1CC[C@H]([NH2+]CCNC(=O)[C@H]2CC[N@@H+](C)C2)C1=O ZINC001151065705 781701307 /nfs/dbraw/zinc/70/13/07/781701307.db2.gz NCVVGEILDYYNRN-QWRGUYRKSA-N 2 1 268.361 -1.125 20 0 CAADMP C[NH+]1CCC(C)(C(=O)N2CN[C@H]([NH3+])[C@H]3NCN[C@@H]32)CC1 ZINC001181992785 781702573 /nfs/dbraw/zinc/70/25/73/781702573.db2.gz ARARISZOJSCFLH-OUAUKWLOSA-N 2 1 282.392 -1.763 20 0 CAADMP CC(C)[N@@H+]1CC[C@H](C(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@H]32)C1 ZINC001181983531 781702705 /nfs/dbraw/zinc/70/27/05/781702705.db2.gz QSHLUFCWKXHXOM-BJDJZHNGSA-N 2 1 282.392 -1.764 20 0 CAADMP CC(C)[N@H+]1CC[C@H](C(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@H]32)C1 ZINC001181983531 781702713 /nfs/dbraw/zinc/70/27/13/781702713.db2.gz QSHLUFCWKXHXOM-BJDJZHNGSA-N 2 1 282.392 -1.764 20 0 CAADMP C[NH+]1CCC(C)(C(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@H]32)CC1 ZINC001181992779 781703405 /nfs/dbraw/zinc/70/34/05/781703405.db2.gz ARARISZOJSCFLH-DCAQKATOSA-N 2 1 282.392 -1.763 20 0 CAADMP C[NH+]1CCC(C)(C(=O)N2CN[C@H]([NH3+])[C@H]3NCN[C@H]32)CC1 ZINC001181992786 781703414 /nfs/dbraw/zinc/70/34/14/781703414.db2.gz ARARISZOJSCFLH-VWYCJHECSA-N 2 1 282.392 -1.763 20 0 CAADMP C[N@H+]1CC[C@H](C(=O)NCC[NH2+]CCN2C(=O)CCC2=O)C1 ZINC001151072989 781703497 /nfs/dbraw/zinc/70/34/97/781703497.db2.gz CACDEJSYSYHTSP-NSHDSACASA-N 2 1 296.371 -1.207 20 0 CAADMP CC(C)[N@@H+]1CC[C@H](C(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@@H]32)C1 ZINC001181983532 781703576 /nfs/dbraw/zinc/70/35/76/781703576.db2.gz QSHLUFCWKXHXOM-FIQHERPVSA-N 2 1 282.392 -1.764 20 0 CAADMP CC(C)[N@H+]1CC[C@H](C(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@@H]32)C1 ZINC001181983532 781703580 /nfs/dbraw/zinc/70/35/80/781703580.db2.gz QSHLUFCWKXHXOM-FIQHERPVSA-N 2 1 282.392 -1.764 20 0 CAADMP CC(C)[N@@H+]1CC[C@H](C(=O)N2CN[C@H]([NH3+])[C@H]3NCN[C@@H]32)C1 ZINC001181983534 781703873 /nfs/dbraw/zinc/70/38/73/781703873.db2.gz QSHLUFCWKXHXOM-WHOHXGKFSA-N 2 1 282.392 -1.764 20 0 CAADMP CC(C)[N@H+]1CC[C@H](C(=O)N2CN[C@H]([NH3+])[C@H]3NCN[C@@H]32)C1 ZINC001181983534 781703877 /nfs/dbraw/zinc/70/38/77/781703877.db2.gz QSHLUFCWKXHXOM-WHOHXGKFSA-N 2 1 282.392 -1.764 20 0 CAADMP C[NH+]1CCC(O)(C(=O)N2CN[C@H]([NH3+])[C@H]3NCN[C@H]32)CC1 ZINC001182036962 781705297 /nfs/dbraw/zinc/70/52/97/781705297.db2.gz OJBNNFDFWNIKMX-UTLUCORTSA-N 2 1 284.364 -3.038 20 0 CAADMP C[NH+]1CCC(O)(C(=O)N2CN[C@H]([NH3+])[C@H]3NCN[C@@H]32)CC1 ZINC001182036960 781705525 /nfs/dbraw/zinc/70/55/25/781705525.db2.gz OJBNNFDFWNIKMX-KXUCPTDWSA-N 2 1 284.364 -3.038 20 0 CAADMP [NH3+][C@@H]1NCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)[C@H]2NCN[C@@H]21 ZINC001182017889 781706595 /nfs/dbraw/zinc/70/65/95/781706595.db2.gz UGDRRKBUVSPZOG-DDHJBXDOSA-N 2 1 280.376 -2.153 20 0 CAADMP Cc1[nH+]ccn1CC(=O)NCC[NH2+][C@@H]1CCC(=O)NC1=O ZINC001151115313 781715727 /nfs/dbraw/zinc/71/57/27/781715727.db2.gz UMBHAIQSQLAVFE-SNVBAGLBSA-N 2 1 293.327 -1.297 20 0 CAADMP Cc1[nH+]ccn1CC(=O)NCC[NH2+][C@H]1CCC(=O)NC1=O ZINC001151115309 781716792 /nfs/dbraw/zinc/71/67/92/781716792.db2.gz UMBHAIQSQLAVFE-JTQLQIEISA-N 2 1 293.327 -1.297 20 0 CAADMP CC1(C)O[C@@H]2O[C@@H](C[N@@H+]3C[C@H](O)[C@@H](C[NH3+])C3)[C@@H](O)[C@@H]2O1 ZINC001206511994 781723007 /nfs/dbraw/zinc/72/30/07/781723007.db2.gz GCKWAMFFWZQLTA-UQPICLANSA-N 2 1 288.344 -1.525 20 0 CAADMP CC1(C)O[C@@H]2O[C@@H](C[N@H+]3C[C@H](O)[C@@H](C[NH3+])C3)[C@@H](O)[C@@H]2O1 ZINC001206511994 781723012 /nfs/dbraw/zinc/72/30/12/781723012.db2.gz GCKWAMFFWZQLTA-UQPICLANSA-N 2 1 288.344 -1.525 20 0 CAADMP [NH3+][C@@H]1NCN(C(=O)[C@@H]2CCC[N@@H+]2CC2CC2)[C@H]2NCN[C@H]21 ZINC001182560561 781724103 /nfs/dbraw/zinc/72/41/03/781724103.db2.gz ICKQFXYIKSSLNF-WUHRBBMRSA-N 2 1 294.403 -1.620 20 0 CAADMP [NH3+][C@@H]1NCN(C(=O)[C@@H]2CCC[N@H+]2CC2CC2)[C@H]2NCN[C@H]21 ZINC001182560561 781724113 /nfs/dbraw/zinc/72/41/13/781724113.db2.gz ICKQFXYIKSSLNF-WUHRBBMRSA-N 2 1 294.403 -1.620 20 0 CAADMP [NH3+][C@@H]1NCN(C(=O)[C@@H]2CCC[N@@H+]2CC2CC2)[C@@H]2NCN[C@@H]21 ZINC001182560558 781724267 /nfs/dbraw/zinc/72/42/67/781724267.db2.gz ICKQFXYIKSSLNF-LOWDOPEQSA-N 2 1 294.403 -1.620 20 0 CAADMP [NH3+][C@@H]1NCN(C(=O)[C@@H]2CCC[N@H+]2CC2CC2)[C@@H]2NCN[C@@H]21 ZINC001182560558 781724272 /nfs/dbraw/zinc/72/42/72/781724272.db2.gz ICKQFXYIKSSLNF-LOWDOPEQSA-N 2 1 294.403 -1.620 20 0 CAADMP [NH3+][C@@H]1NCN(C(=O)[C@@H]2CCC[N@@H+]2CC2CC2)[C@H]2NCN[C@@H]21 ZINC001182560560 781724950 /nfs/dbraw/zinc/72/49/50/781724950.db2.gz ICKQFXYIKSSLNF-UMSGYPCISA-N 2 1 294.403 -1.620 20 0 CAADMP [NH3+][C@@H]1NCN(C(=O)[C@@H]2CCC[N@H+]2CC2CC2)[C@H]2NCN[C@@H]21 ZINC001182560560 781724951 /nfs/dbraw/zinc/72/49/51/781724951.db2.gz ICKQFXYIKSSLNF-UMSGYPCISA-N 2 1 294.403 -1.620 20 0 CAADMP C[NH+](C)[C@H]1C[C@@H](C(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@H]32)C1 ZINC001183379922 781742299 /nfs/dbraw/zinc/74/22/99/781742299.db2.gz SHARCUKROYKYLA-SSRBZLIGSA-N 2 1 268.365 -2.154 20 0 CAADMP CC(C)[C@H](C(=O)N1CN[C@H]([NH3+])[C@H]2NCN[C@H]21)[NH+](C)C ZINC001183366633 781742680 /nfs/dbraw/zinc/74/26/80/781742680.db2.gz VERAQSWATRTVIT-ZNSHCXBVSA-N 2 1 270.381 -1.908 20 0 CAADMP C[NH+](C)[C@H]1C[C@@H](C(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@@H]32)C1 ZINC001183379920 781742847 /nfs/dbraw/zinc/74/28/47/781742847.db2.gz SHARCUKROYKYLA-HPENLJRUSA-N 2 1 268.365 -2.154 20 0 CAADMP C[NH+](C)[C@H]1C[C@@H](C(=O)N2CN[C@H]([NH3+])[C@H]3NCN[C@H]32)C1 ZINC001183379923 781743035 /nfs/dbraw/zinc/74/30/35/781743035.db2.gz SHARCUKROYKYLA-XXFSISAASA-N 2 1 268.365 -2.154 20 0 CAADMP [NH3+][C@@H]1NCN(C(=O)C23CCC[NH+]2CCC3)[C@@H]2NCN[C@H]21 ZINC001183563177 781745245 /nfs/dbraw/zinc/74/52/45/781745245.db2.gz SOWJMYCAURUGPH-AXFHLTTASA-N 2 1 280.376 -1.866 20 0 CAADMP C[NH+](C)CCCCC(=O)N1CN[C@H]([NH3+])[C@@H]2NCN[C@@H]21 ZINC001184061600 781762668 /nfs/dbraw/zinc/76/26/68/781762668.db2.gz MMFKJGULQDGNDM-SDDRHHMPSA-N 2 1 270.381 -1.763 20 0 CAADMP CN1CC[N@H+](C)C[C@@H]1C(=O)NC(=N)SCC[NH3+] ZINC001185261477 781779199 /nfs/dbraw/zinc/77/91/99/781779199.db2.gz FWVWPLWZIQMIRS-MRVPVSSYSA-N 2 1 259.379 -1.025 20 0 CAADMP CN1CC[N@@H+](C)C[C@@H]1C(=O)NC(=N)SCC[NH3+] ZINC001185261477 781779203 /nfs/dbraw/zinc/77/92/03/781779203.db2.gz FWVWPLWZIQMIRS-MRVPVSSYSA-N 2 1 259.379 -1.025 20 0 CAADMP CN1CC[N@@H+](C)C[C@H]1C(=O)NCCN1CCC[NH+](C)CC1 ZINC001185261299 781779718 /nfs/dbraw/zinc/77/97/18/781779718.db2.gz DIWRJGDQTYWAPV-AWEZNQCLSA-N 2 1 297.447 -1.014 20 0 CAADMP CN1CC[NH+](C)C[C@H]1C(=O)NCCN1CCC[N@H+](C)CC1 ZINC001185261299 781779724 /nfs/dbraw/zinc/77/97/24/781779724.db2.gz DIWRJGDQTYWAPV-AWEZNQCLSA-N 2 1 297.447 -1.014 20 0 CAADMP CN1CC[NH+](C)C[C@H]1C(=O)NCCN1CCC[N@@H+](C)CC1 ZINC001185261299 781779729 /nfs/dbraw/zinc/77/97/29/781779729.db2.gz DIWRJGDQTYWAPV-AWEZNQCLSA-N 2 1 297.447 -1.014 20 0 CAADMP CN1CC[N@@H+](C)C[C@H]1C(=O)NC1(CO)CC[NH+](C)CC1 ZINC001185268574 781781898 /nfs/dbraw/zinc/78/18/98/781781898.db2.gz DIBYXVWVAPEUGQ-LBPRGKRZSA-N 2 1 284.404 -1.195 20 0 CAADMP Cn1nnnc1C[NH2+][C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001185384949 781785149 /nfs/dbraw/zinc/78/51/49/781785149.db2.gz HQPUOYUHDDVEJS-SNVBAGLBSA-N 2 1 281.364 -1.148 20 0 CAADMP C[NH+]1CCC(CO)(NC(=O)C[N@@H+]2CC[C@@H](O)C2)CC1 ZINC001186056069 781798506 /nfs/dbraw/zinc/79/85/06/781798506.db2.gz BQJPEZYQXHNQHV-LLVKDONJSA-N 2 1 271.361 -1.374 20 0 CAADMP C[NH+]1CCC(CO)(NC(=O)C[N@H+]2CC[C@@H](O)C2)CC1 ZINC001186056069 781798511 /nfs/dbraw/zinc/79/85/11/781798511.db2.gz BQJPEZYQXHNQHV-LLVKDONJSA-N 2 1 271.361 -1.374 20 0 CAADMP N=c1ncc(C[NH3+])cn1C(=O)C[N@@H+]1CC[C@@H](O)C1 ZINC001186055801 781799191 /nfs/dbraw/zinc/79/91/91/781799191.db2.gz UWXPZDXNGBNTHK-SECBINFHSA-N 2 1 251.290 -1.472 20 0 CAADMP N=c1ncc(C[NH3+])cn1C(=O)C[N@H+]1CC[C@@H](O)C1 ZINC001186055801 781799198 /nfs/dbraw/zinc/79/91/98/781799198.db2.gz UWXPZDXNGBNTHK-SECBINFHSA-N 2 1 251.290 -1.472 20 0 CAADMP N=c1ncc(C[NH3+])cn1C(=O)C[N@@H+]1CC[C@H](O)C1 ZINC001186055802 781799820 /nfs/dbraw/zinc/79/98/20/781799820.db2.gz UWXPZDXNGBNTHK-VIFPVBQESA-N 2 1 251.290 -1.472 20 0 CAADMP N=c1ncc(C[NH3+])cn1C(=O)C[N@H+]1CC[C@H](O)C1 ZINC001186055802 781799825 /nfs/dbraw/zinc/79/98/25/781799825.db2.gz UWXPZDXNGBNTHK-VIFPVBQESA-N 2 1 251.290 -1.472 20 0 CAADMP CCOC(=O)CN(CC[NH3+])C(=O)C[N@@H+]1CC[C@H](O)C1 ZINC001186054154 781800107 /nfs/dbraw/zinc/80/01/07/781800107.db2.gz BMLOQVPFYPPRPY-JTQLQIEISA-N 2 1 273.333 -1.597 20 0 CAADMP CCOC(=O)CN(CC[NH3+])C(=O)C[N@H+]1CC[C@H](O)C1 ZINC001186054154 781800117 /nfs/dbraw/zinc/80/01/17/781800117.db2.gz BMLOQVPFYPPRPY-JTQLQIEISA-N 2 1 273.333 -1.597 20 0 CAADMP COC(=O)[C@H]1CC[N@H+](CC(=O)NC2(C[NH3+])COC2)C1 ZINC001186116335 781801830 /nfs/dbraw/zinc/80/18/30/781801830.db2.gz XLNXHSNTYDOJRR-VIFPVBQESA-N 2 1 271.317 -1.675 20 0 CAADMP COC(=O)[C@H]1CC[N@@H+](CC(=O)NC2(C[NH3+])COC2)C1 ZINC001186116335 781801834 /nfs/dbraw/zinc/80/18/34/781801834.db2.gz XLNXHSNTYDOJRR-VIFPVBQESA-N 2 1 271.317 -1.675 20 0 CAADMP CNC(=O)C[NH2+][C@@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001186356377 781803840 /nfs/dbraw/zinc/80/38/40/781803840.db2.gz UGKVQUZCIFQRBQ-GFCCVEGCSA-N 2 1 298.387 -1.355 20 0 CAADMP C[N@H+]1CCC[C@H](C(=O)NCCN(CC[NH3+])N(O)N=O)C1 ZINC001186363924 781805251 /nfs/dbraw/zinc/80/52/51/781805251.db2.gz FXEHQVWQEHAXPX-JTQLQIEISA-N 2 1 288.352 -1.007 20 0 CAADMP CCC[N@@H+](C)CC(=O)N1CC[C@@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001187291602 781816414 /nfs/dbraw/zinc/81/64/14/781816414.db2.gz WRKKQMDNAPYUSZ-SNVBAGLBSA-N 2 1 299.375 -1.286 20 0 CAADMP CNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001187817933 781830479 /nfs/dbraw/zinc/83/04/79/781830479.db2.gz LRXZMVDBJCTJEA-GHMZBOCLSA-N 2 1 268.361 -1.125 20 0 CAADMP C[NH+](C)CCC(=O)N1CC[C@H]2C[N@H+](CC(N)=O)C[C@H]21 ZINC001189041288 781850137 /nfs/dbraw/zinc/85/01/37/781850137.db2.gz RROBOBAARIZQFB-WDEREUQCSA-N 2 1 268.361 -1.044 20 0 CAADMP C[NH+](C)CCC(=O)N1CC[C@H]2C[N@@H+](CC(N)=O)C[C@H]21 ZINC001189041288 781850139 /nfs/dbraw/zinc/85/01/39/781850139.db2.gz RROBOBAARIZQFB-WDEREUQCSA-N 2 1 268.361 -1.044 20 0 CAADMP CC[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+][C@H]2CCNC2=O)C1 ZINC001151749179 781851514 /nfs/dbraw/zinc/85/15/14/781851514.db2.gz QOCWJRPOUNZQFF-WDEREUQCSA-N 2 1 284.360 -1.699 20 0 CAADMP CC[N@H+]1CCO[C@@H](C(=O)NCC[NH2+][C@H]2CCNC2=O)C1 ZINC001151749179 781851519 /nfs/dbraw/zinc/85/15/19/781851519.db2.gz QOCWJRPOUNZQFF-WDEREUQCSA-N 2 1 284.360 -1.699 20 0 CAADMP CC[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+]Cc2cnnn2C)C1 ZINC001151748720 781851923 /nfs/dbraw/zinc/85/19/23/781851923.db2.gz JFLDHLUEGDNWLR-GFCCVEGCSA-N 2 1 296.375 -1.258 20 0 CAADMP CC[N@H+]1CCO[C@@H](C(=O)NCC[NH2+]Cc2cnnn2C)C1 ZINC001151748720 781851932 /nfs/dbraw/zinc/85/19/32/781851932.db2.gz JFLDHLUEGDNWLR-GFCCVEGCSA-N 2 1 296.375 -1.258 20 0 CAADMP CC[N@@H+](C)CCC(=O)N[C@H](C)C[NH2+]CC(=O)NC(N)=O ZINC001420358638 890434078 /nfs/dbraw/zinc/43/40/78/890434078.db2.gz BRTJQEIGWWDRKA-SECBINFHSA-N 2 1 287.364 -1.383 20 0 CAADMP C[NH+](C)CCC(=O)NC[C@@H](O)C[NH2+]Cc1cnon1 ZINC001422346860 890581303 /nfs/dbraw/zinc/58/13/03/890581303.db2.gz LMKUAPJDTDJUKK-JTQLQIEISA-N 2 1 271.321 -1.412 20 0 CAADMP C[C@H](C(N)=O)[N@H+](C)C[C@@H](O)CN(C)C(=O)CC[NH+](C)C ZINC001423552284 890683360 /nfs/dbraw/zinc/68/33/60/890683360.db2.gz WDKREOILQPPTCP-GHMZBOCLSA-N 2 1 288.392 -1.437 20 0 CAADMP C[C@H](C(N)=O)[N@@H+](C)C[C@@H](O)CN(C)C(=O)CC[NH+](C)C ZINC001423552284 890683369 /nfs/dbraw/zinc/68/33/69/890683369.db2.gz WDKREOILQPPTCP-GHMZBOCLSA-N 2 1 288.392 -1.437 20 0 CAADMP C[C@H](C(N)=O)[N@@H+](C)C[C@H](O)CN(C)C(=O)CC[NH+](C)C ZINC001423552287 890684379 /nfs/dbraw/zinc/68/43/79/890684379.db2.gz WDKREOILQPPTCP-MNOVXSKESA-N 2 1 288.392 -1.437 20 0 CAADMP C[NH+]1CCO[C@H](C(=O)NC[C@]2(O)CC[N@@H+](CCO)C2)C1 ZINC001423745327 890693888 /nfs/dbraw/zinc/69/38/88/890693888.db2.gz VELUDJHWZQBBHD-WCQYABFASA-N 2 1 287.360 -2.138 20 0 CAADMP C[NH+]1CCO[C@H](C(=O)NC[C@]2(O)CC[N@H+](CCO)C2)C1 ZINC001423745327 890693880 /nfs/dbraw/zinc/69/38/80/890693880.db2.gz VELUDJHWZQBBHD-WCQYABFASA-N 2 1 287.360 -2.138 20 0 CAADMP C[C@@H](C(N)=O)[N@@H+]1CC[C@](O)(CNC(=O)CC[NH+](C)C)C1 ZINC001423794913 890698898 /nfs/dbraw/zinc/69/88/98/890698898.db2.gz GWKWMCBLSAEVCC-GWCFXTLKSA-N 2 1 286.376 -1.635 20 0 CAADMP C[C@@H](C(N)=O)[N@H+]1CC[C@](O)(CNC(=O)CC[NH+](C)C)C1 ZINC001423794913 890698903 /nfs/dbraw/zinc/69/89/03/890698903.db2.gz GWKWMCBLSAEVCC-GWCFXTLKSA-N 2 1 286.376 -1.635 20 0 CAADMP COCC[N@H+](C)C[C@H](O)CN1[C@H](CO)CC[C@H]1CO ZINC001434478314 891120665 /nfs/dbraw/zinc/12/06/65/891120665.db2.gz RWEKQPIDERSSKH-AVGNSLFASA-N 2 1 276.377 -1.257 20 0 CAADMP COCC[N@@H+](C)C[C@H](O)CN1[C@H](CO)CC[C@H]1CO ZINC001434478314 891120676 /nfs/dbraw/zinc/12/06/76/891120676.db2.gz RWEKQPIDERSSKH-AVGNSLFASA-N 2 1 276.377 -1.257 20 0 CAADMP C[NH+](CCO)CCCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001479764138 892481706 /nfs/dbraw/zinc/48/17/06/892481706.db2.gz QIWBCPJISRINGX-NSHDSACASA-N 2 1 259.350 -1.253 20 0 CAADMP C[NH+]1CCN(C(=O)CN2C[C@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000090322450 883985130 /nfs/dbraw/zinc/98/51/30/883985130.db2.gz OBYIJZHBXHAYIC-VXGBXAGGSA-N 2 1 252.362 -1.088 20 0 CAADMP C[NH+]1CCN(C(=O)CN2C[C@@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000090322451 883985507 /nfs/dbraw/zinc/98/55/07/883985507.db2.gz OBYIJZHBXHAYIC-RYUDHWBXSA-N 2 1 252.362 -1.088 20 0 CAADMP C[C@@H]([NH2+]CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C(N)=O ZINC001127638829 884058438 /nfs/dbraw/zinc/05/84/38/884058438.db2.gz RNWRSETVWCWFQQ-OPRDCNLKSA-N 2 1 256.350 -1.094 20 0 CAADMP C([C@@H]1CNCCO1)[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC001327597712 884909158 /nfs/dbraw/zinc/90/91/58/884909158.db2.gz SPCWAUFUVUUCRF-OLZOCXBDSA-N 3 1 254.378 -1.046 20 0 CAADMP C([C@@H]1C[NH2+]CCO1)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC001327597712 884909178 /nfs/dbraw/zinc/90/91/78/884909178.db2.gz SPCWAUFUVUUCRF-OLZOCXBDSA-N 3 1 254.378 -1.046 20 0 CAADMP C[C@@H](NC(=O)C(=O)NCC[C@H](C)[NH3+])[C@H]1C[N@H+](C)CCO1 ZINC001330860303 885237905 /nfs/dbraw/zinc/23/79/05/885237905.db2.gz PWKPJYYWLGUZCG-HBNTYKKESA-N 2 1 286.376 -1.325 20 0 CAADMP C[C@@H](NC(=O)C(=O)NCC[C@H](C)[NH3+])[C@H]1C[N@@H+](C)CCO1 ZINC001330860303 885237916 /nfs/dbraw/zinc/23/79/16/885237916.db2.gz PWKPJYYWLGUZCG-HBNTYKKESA-N 2 1 286.376 -1.325 20 0 CAADMP NS(=O)(=O)CCC[N@@H+]1CCCO[C@@H](C[NH3+])C1 ZINC001331933569 885368527 /nfs/dbraw/zinc/36/85/27/885368527.db2.gz QVWVEOCGJHYSHR-VIFPVBQESA-N 2 1 251.352 -1.285 20 0 CAADMP NS(=O)(=O)CCC[N@H+]1CCCO[C@@H](C[NH3+])C1 ZINC001331933569 885368541 /nfs/dbraw/zinc/36/85/41/885368541.db2.gz QVWVEOCGJHYSHR-VIFPVBQESA-N 2 1 251.352 -1.285 20 0 CAADMP C[C@H](NC(=O)CN1CC[NH2+]CC[NH2+]CC1)C(=O)N(C)C ZINC001332363328 885403654 /nfs/dbraw/zinc/40/36/54/885403654.db2.gz FDMFMNUDCALVAE-NSHDSACASA-N 2 1 285.392 -1.926 20 0 CAADMP C[NH2+]C[C@](C)(O)C[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC001332629045 885429999 /nfs/dbraw/zinc/42/99/99/885429999.db2.gz YSHJFOFYSNJWLX-STQMWFEESA-N 3 1 256.394 -1.064 20 0 CAADMP C[NH2+]C[C@](C)(O)CN1CC[C@H](N2CC[NH2+]CC2)C1 ZINC001332629045 885430010 /nfs/dbraw/zinc/43/00/10/885430010.db2.gz YSHJFOFYSNJWLX-STQMWFEESA-N 2 1 256.394 -1.064 20 0 CAADMP C[C@H]1CC[N@@H+](CC(=O)N(C)C[C@H](O)C[NH2+]CCO)C1 ZINC001332566303 885421810 /nfs/dbraw/zinc/42/18/10/885421810.db2.gz NROVOGVCMYEKNN-NWDGAFQWSA-N 2 1 273.377 -1.271 20 0 CAADMP C[C@@H]1C[NH2+]C[C@H]1NC(=O)NCC[N@H+]1CC[C@@H](O)C1 ZINC001336164075 885648837 /nfs/dbraw/zinc/64/88/37/885648837.db2.gz SIJJUUZWDDDBEU-GMTAPVOTSA-N 2 1 256.350 -1.040 20 0 CAADMP NC(=O)[C@@H]1C[N@H+](C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)CCO1 ZINC001337824441 885721724 /nfs/dbraw/zinc/72/17/24/885721724.db2.gz NUNYFIJDHJETME-NTZNESFSSA-N 2 1 269.345 -1.059 20 0 CAADMP NC(=O)[C@@H]1C[N@@H+](C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)CCO1 ZINC001337824441 885721734 /nfs/dbraw/zinc/72/17/34/885721734.db2.gz NUNYFIJDHJETME-NTZNESFSSA-N 2 1 269.345 -1.059 20 0 CAADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@H]2COC3(C[NH2+]C3)C2)C1 ZINC001342125195 885871533 /nfs/dbraw/zinc/87/15/33/885871533.db2.gz HETFHWACHOZEHP-MNOVXSKESA-N 2 1 269.345 -1.046 20 0 CAADMP CC[N@H+]1CCO[C@H](C(=O)N[C@H]2COC3(C[NH2+]C3)C2)C1 ZINC001342125195 885871538 /nfs/dbraw/zinc/87/15/38/885871538.db2.gz HETFHWACHOZEHP-MNOVXSKESA-N 2 1 269.345 -1.046 20 0 CAADMP CN1CCN(C(=O)CNC(=O)C[NH3+])CC[N@@H+](C)CC1 ZINC001342154662 885876397 /nfs/dbraw/zinc/87/63/97/885876397.db2.gz DQITXANDTWGILT-UHFFFAOYSA-N 2 1 271.365 -2.233 20 0 CAADMP C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)CNC(=O)C[NH3+])[C@H]2C1 ZINC001343592510 885920899 /nfs/dbraw/zinc/92/08/99/885920899.db2.gz MVRSDXAGJSZUPR-LPEHRKFASA-N 2 1 254.334 -1.482 20 0 CAADMP O=C(NCC1(O)C[NH2+]C1)[C@@H]1[NH2+]CCc2occc21 ZINC001343968006 885930112 /nfs/dbraw/zinc/93/01/12/885930112.db2.gz WHDODTPISWLOIF-SNVBAGLBSA-N 2 1 251.286 -1.083 20 0 CAADMP O=C(CN1CC[NH2+]CC[NH2+]CC1)NC[C@@H]1CCCO1 ZINC001350909389 886190636 /nfs/dbraw/zinc/19/06/36/886190636.db2.gz IKZVHRVFEAMTEQ-LBPRGKRZSA-N 2 1 270.377 -1.224 20 0 CAADMP C[NH2+]CCOCCNC(=O)[C@H](C)N1CC[NH+](C)CC1 ZINC001352849891 886250510 /nfs/dbraw/zinc/25/05/10/886250510.db2.gz MYVKMIOCTVFLLZ-LBPRGKRZSA-N 2 1 272.393 -1.026 20 0 CAADMP C[NH2+]C[C@H](O)[C@@H](C)C(=O)NCC[N@@H+](C)CCOC ZINC001357391675 886403700 /nfs/dbraw/zinc/40/37/00/886403700.db2.gz KZTAOFUVCFWJHU-MNOVXSKESA-N 2 1 261.366 -1.103 20 0 CAADMP C[NH+]1CCC(NC(=O)C[N@@H+]2CCC(CO)(CO)C2)CC1 ZINC001363302602 886860854 /nfs/dbraw/zinc/86/08/54/886860854.db2.gz JMIWCLUFOCOKLP-UHFFFAOYSA-N 2 1 285.388 -1.127 20 0 CAADMP C[NH+]1CCC(NC(=O)C[N@H+]2CCC(CO)(CO)C2)CC1 ZINC001363302602 886860875 /nfs/dbraw/zinc/86/08/75/886860875.db2.gz JMIWCLUFOCOKLP-UHFFFAOYSA-N 2 1 285.388 -1.127 20 0 CAADMP O=C(CC[NH+]1CCOCC1)N[C@H]1C[C@@H]([NH2+]CCO)C1 ZINC001366161834 887276229 /nfs/dbraw/zinc/27/62/29/887276229.db2.gz DYOBIBLHHZNKCE-TXEJJXNPSA-N 2 1 271.361 -1.062 20 0 CAADMP CN(CC[NH2+][C@H]1CCNC1=O)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001366760013 887335565 /nfs/dbraw/zinc/33/55/65/887335565.db2.gz IBLNRHRVPDCIJZ-QWRGUYRKSA-N 2 1 284.360 -1.747 20 0 CAADMP CN(CC[NH2+][C@H]1CCNC1=O)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001366760013 887335580 /nfs/dbraw/zinc/33/55/80/887335580.db2.gz IBLNRHRVPDCIJZ-QWRGUYRKSA-N 2 1 284.360 -1.747 20 0 CAADMP CC(C)[N@@H+](C)CC(=O)NC[C@H](O)C[NH2+][C@H]1CCNC1=O ZINC001367632065 887416117 /nfs/dbraw/zinc/41/61/17/887416117.db2.gz SLSRORGDKBBIEN-MNOVXSKESA-N 2 1 286.376 -1.718 20 0 CAADMP COC[C@@H](O)C[NH+](C)CCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001371938733 887679216 /nfs/dbraw/zinc/67/92/16/887679216.db2.gz IFFDNJIHRBIYOB-NWDGAFQWSA-N 2 1 289.376 -1.628 20 0 CAADMP COC[C@@H](O)C[NH+](C)CCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001371938733 887679219 /nfs/dbraw/zinc/67/92/19/887679219.db2.gz IFFDNJIHRBIYOB-NWDGAFQWSA-N 2 1 289.376 -1.628 20 0 CAADMP CN(C[C@H](O)C[N@H+](C)CCO)C(=O)[C@H]1C[NH+](C)CCO1 ZINC001379921066 888182492 /nfs/dbraw/zinc/18/24/92/888182492.db2.gz XSLBLNDABVVMFP-VXGBXAGGSA-N 2 1 289.376 -1.940 20 0 CAADMP CN(C[C@H](O)C[N@@H+](C)CCO)C(=O)[C@H]1C[NH+](C)CCO1 ZINC001379921066 888182503 /nfs/dbraw/zinc/18/25/03/888182503.db2.gz XSLBLNDABVVMFP-VXGBXAGGSA-N 2 1 289.376 -1.940 20 0 CAADMP CN(C[C@H](O)C[NH+](C)CCO)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001379921066 888182517 /nfs/dbraw/zinc/18/25/17/888182517.db2.gz XSLBLNDABVVMFP-VXGBXAGGSA-N 2 1 289.376 -1.940 20 0 CAADMP CN(C[C@H](O)C[NH+](C)CCO)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001379921066 888182524 /nfs/dbraw/zinc/18/25/24/888182524.db2.gz XSLBLNDABVVMFP-VXGBXAGGSA-N 2 1 289.376 -1.940 20 0 CAADMP O=C(CC[NH+]1CCOCC1)N[C@@H]1CC[N@@H+](CCO)C1 ZINC001391592398 888638774 /nfs/dbraw/zinc/63/87/74/888638774.db2.gz REAAGRAYCIXKJT-GFCCVEGCSA-N 2 1 271.361 -1.109 20 0 CAADMP O=C(CC[NH+]1CCOCC1)N[C@@H]1CC[N@H+](CCO)C1 ZINC001391592398 888638781 /nfs/dbraw/zinc/63/87/81/888638781.db2.gz REAAGRAYCIXKJT-GFCCVEGCSA-N 2 1 271.361 -1.109 20 0 CAADMP C[C@@H](O)C[NH2+]C[C@@H](O)CNC(=O)CC[NH+]1CCOCC1 ZINC001392411399 888703083 /nfs/dbraw/zinc/70/30/83/888703083.db2.gz RFWWADNMEVCPQA-VXGBXAGGSA-N 2 1 289.376 -1.844 20 0 CAADMP CC[N@@H+]1CCO[C@H](C(=O)NC[C@H](C)[NH2+]CC(N)=O)C1 ZINC001399153126 889030783 /nfs/dbraw/zinc/03/07/83/889030783.db2.gz HRAVJRMUXKKVET-UWVGGRQHSA-N 2 1 272.349 -1.713 20 0 CAADMP CC[N@H+]1CCO[C@H](C(=O)NC[C@H](C)[NH2+]CC(N)=O)C1 ZINC001399153126 889030796 /nfs/dbraw/zinc/03/07/96/889030796.db2.gz HRAVJRMUXKKVET-UWVGGRQHSA-N 2 1 272.349 -1.713 20 0 CAADMP C[C@@H]1[C@H](C(=O)NC[C@H](O)C[NH2+]CC(N)=O)CC[N@H+]1C ZINC001401518819 889149308 /nfs/dbraw/zinc/14/93/08/889149308.db2.gz YDKZTBFITRWRJR-OPRDCNLKSA-N 2 1 272.349 -2.121 20 0 CAADMP CC(C)[N@H+](C)CC(=O)NC[C@]1(O)CC[NH+](CC(N)=O)C1 ZINC001402308961 889219846 /nfs/dbraw/zinc/21/98/46/889219846.db2.gz HSESYNVDNRZQFF-CYBMUJFWSA-N 2 1 286.376 -1.635 20 0 CAADMP CC(C)[N@@H+](C)CC(=O)NC[C@]1(O)CC[NH+](CC(N)=O)C1 ZINC001402308961 889219857 /nfs/dbraw/zinc/21/98/57/889219857.db2.gz HSESYNVDNRZQFF-CYBMUJFWSA-N 2 1 286.376 -1.635 20 0 CAADMP CC(C)[NH+](C)CC(=O)NC[C@]1(O)CC[N@H+](CC(N)=O)C1 ZINC001402308961 889219871 /nfs/dbraw/zinc/21/98/71/889219871.db2.gz HSESYNVDNRZQFF-CYBMUJFWSA-N 2 1 286.376 -1.635 20 0 CAADMP CC(C)[NH+](C)CC(=O)NC[C@]1(O)CC[N@@H+](CC(N)=O)C1 ZINC001402308961 889219887 /nfs/dbraw/zinc/21/98/87/889219887.db2.gz HSESYNVDNRZQFF-CYBMUJFWSA-N 2 1 286.376 -1.635 20 0 CAADMP CC[N@@H+]1CCO[C@H](C(=O)N(C)[C@H](C)C[NH2+]CC(N)=O)C1 ZINC001405899273 889472466 /nfs/dbraw/zinc/47/24/66/889472466.db2.gz QGZLBSVHVAQFLO-MNOVXSKESA-N 2 1 286.376 -1.371 20 0 CAADMP CC[N@H+]1CCO[C@H](C(=O)N(C)[C@H](C)C[NH2+]CC(N)=O)C1 ZINC001405899273 889472475 /nfs/dbraw/zinc/47/24/75/889472475.db2.gz QGZLBSVHVAQFLO-MNOVXSKESA-N 2 1 286.376 -1.371 20 0 CAADMP CN(C)C(=O)C[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001406200864 889483319 /nfs/dbraw/zinc/48/33/19/889483319.db2.gz CQOARBDSFVBULM-QWRGUYRKSA-N 2 1 286.376 -1.765 20 0 CAADMP Cn1ncnc1C[NH2+]C[C@H](O)CNC(=O)CC[NH+](C)C ZINC001406256268 889499456 /nfs/dbraw/zinc/49/94/56/889499456.db2.gz HRLSNCUSPSHJEW-JTQLQIEISA-N 2 1 284.364 -1.667 20 0 CAADMP C[C@H](O)C[NH2+][C@H](CO)CNC(=O)C[N@@H+](C)C1CCC1 ZINC001410646812 889695965 /nfs/dbraw/zinc/69/59/65/889695965.db2.gz DEHFTWRPICUBSO-QWRGUYRKSA-N 2 1 273.377 -1.082 20 0 CAADMP Cc1c[nH+]cn1CC(=O)NC[C@@H](CO)[NH2+]C[C@@H](C)O ZINC001410687754 889699822 /nfs/dbraw/zinc/69/98/22/889699822.db2.gz AFHJPNGRKXSLER-MNOVXSKESA-N 2 1 270.333 -1.361 20 0 CAADMP CC[N@@H+](C)CCC(=O)NC[C@H](CO)[NH2+][C@@H]1CCNC1=O ZINC001410768187 889711207 /nfs/dbraw/zinc/71/12/07/889711207.db2.gz HUTSLCHOFIQSQQ-GHMZBOCLSA-N 2 1 286.376 -1.717 20 0 CAADMP C[N@H+]1CCO[C@H](C(=O)N2CC[C@H](C[NH2+]CC(N)=O)C2)C1 ZINC001418335944 890212450 /nfs/dbraw/zinc/21/24/50/890212450.db2.gz NQSPGSKRUIKXEN-MNOVXSKESA-N 2 1 284.360 -1.760 20 0 CAADMP Cc1[nH+]ccn1CC(=O)NC[C@@H](O)C[NH2+]C[C@@H](C)O ZINC001420224567 890419045 /nfs/dbraw/zinc/41/90/45/890419045.db2.gz ZZGVQJKJZUGDLY-KOLCDFICSA-N 2 1 270.333 -1.361 20 0 CAADMP C[NH+](C)CC1(C(=O)N[C@@H]2[C@H]3C[N@H+](CC(N)=O)C[C@H]32)CC1 ZINC001114745743 884045712 /nfs/dbraw/zinc/04/57/12/884045712.db2.gz FPXBRCWSJLMOGE-IAZYJMLFSA-N 2 1 280.372 -1.140 20 0 CAADMP C[NH+](C)CC1(C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(N)=O)C[C@H]32)CC1 ZINC001114745743 884045725 /nfs/dbraw/zinc/04/57/25/884045725.db2.gz FPXBRCWSJLMOGE-IAZYJMLFSA-N 2 1 280.372 -1.140 20 0 CAADMP C[C@H]([NH2+]CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C(=O)NC(N)=O ZINC001127653013 884058741 /nfs/dbraw/zinc/05/87/41/884058741.db2.gz JIJPGBJIQOJJDT-IVZWLZJFSA-N 2 1 299.375 -1.384 20 0 CAADMP CNC(=O)C[NH2+]CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001127639052 884059407 /nfs/dbraw/zinc/05/94/07/884059407.db2.gz SMTIJJLPYTWVMF-NXEZZACHSA-N 2 1 256.350 -1.222 20 0 CAADMP CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H]([NH3+])Cc1c[nH]cn1 ZINC001157322866 884065482 /nfs/dbraw/zinc/06/54/82/884065482.db2.gz BAECXVNAHYWPQP-QWRGUYRKSA-N 2 1 296.375 -1.361 20 0 CAADMP CNC(=O)C[NH2+][C@@H](C)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001317228060 884178544 /nfs/dbraw/zinc/17/85/44/884178544.db2.gz DYTYDISRRKQXBZ-VHSXEESVSA-N 2 1 256.350 -1.079 20 0 CAADMP C[N@H+]1CCC[C@H]1C(=O)NC[C@@H](O)C[NH2+]CCCO ZINC001320204184 884383593 /nfs/dbraw/zinc/38/35/93/884383593.db2.gz OPCQBNQDYJLZIP-QWRGUYRKSA-N 2 1 259.350 -1.470 20 0 CAADMP Cc1c[nH+]cn1CC(=O)NC[C@@H](O)C[NH2+]CCO ZINC001320250446 884402911 /nfs/dbraw/zinc/40/29/11/884402911.db2.gz QEPSUARQVPNNLN-JTQLQIEISA-N 2 1 256.306 -1.749 20 0 CAADMP Cc1c[nH+]cn1CC(=O)NC[C@H](O)C[NH2+]CCO ZINC001320250447 884403455 /nfs/dbraw/zinc/40/34/55/884403455.db2.gz QEPSUARQVPNNLN-SNVBAGLBSA-N 2 1 256.306 -1.749 20 0 CAADMP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@@H](O)C[NH2+]CCOC)C1 ZINC001320312204 884414424 /nfs/dbraw/zinc/41/44/24/884414424.db2.gz GUSWWXPLSDCXSL-NWDGAFQWSA-N 2 1 289.376 -1.580 20 0 CAADMP CC[N@H+]1CCO[C@@H](C(=O)NC[C@@H](O)C[NH2+]CCOC)C1 ZINC001320312204 884414437 /nfs/dbraw/zinc/41/44/37/884414437.db2.gz GUSWWXPLSDCXSL-NWDGAFQWSA-N 2 1 289.376 -1.580 20 0 CAADMP CC[NH2+]C[C@@H](O)CNC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001320315859 884414601 /nfs/dbraw/zinc/41/46/01/884414601.db2.gz VZTBOEFNRITTCX-MNOVXSKESA-N 2 1 259.350 -1.206 20 0 CAADMP CC[NH2+]C[C@@H](O)CNC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001320315859 884414606 /nfs/dbraw/zinc/41/46/06/884414606.db2.gz VZTBOEFNRITTCX-MNOVXSKESA-N 2 1 259.350 -1.206 20 0 CAADMP C[C@H](CC[NH2+]CC(=O)NC(N)=O)NC(=O)[C@H]1CCC[N@H+]1C ZINC001320373155 884417353 /nfs/dbraw/zinc/41/73/53/884417353.db2.gz UJNWDRXJPZYXNT-NXEZZACHSA-N 2 1 299.375 -1.240 20 0 CAADMP C[C@@H](CC[NH2+]CC(=O)NC(N)=O)NC(=O)[C@H]1CCC[N@H+]1C ZINC001320373157 884418305 /nfs/dbraw/zinc/41/83/05/884418305.db2.gz UJNWDRXJPZYXNT-VHSXEESVSA-N 2 1 299.375 -1.240 20 0 CAADMP C[C@@H](CC[NH2+]CC(=O)NC(N)=O)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001320373156 884418587 /nfs/dbraw/zinc/41/85/87/884418587.db2.gz UJNWDRXJPZYXNT-UWVGGRQHSA-N 2 1 299.375 -1.240 20 0 CAADMP C[C@@H](CC[NH2+]CC(N)=O)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001320641316 884435015 /nfs/dbraw/zinc/43/50/15/884435015.db2.gz WRAOYLOTPFLWQJ-UWVGGRQHSA-N 2 1 256.350 -1.092 20 0 CAADMP C[C@H]([NH2+]C/C=C/CNC(=O)CC[NH+]1CCOCC1)C(N)=O ZINC001321295246 884483146 /nfs/dbraw/zinc/48/31/46/884483146.db2.gz WYVUXTVYDNMYFW-JDGPPOGSSA-N 2 1 298.387 -1.156 20 0 CAADMP C[C@@H]([NH2+]C/C=C/CNC(=O)CC[NH+]1CCOCC1)C(N)=O ZINC001321295247 884483222 /nfs/dbraw/zinc/48/32/22/884483222.db2.gz WYVUXTVYDNMYFW-QAVQXKDTSA-N 2 1 298.387 -1.156 20 0 CAADMP O=C(CC[NH+]1CCOCC1)NC/C=C/C[NH2+]CCO ZINC001321293671 884484462 /nfs/dbraw/zinc/48/44/62/884484462.db2.gz JJVNDRLTDONEIY-OWOJBTEDSA-N 2 1 271.361 -1.037 20 0 CAADMP CC[N@@H+]1CCO[C@@H](C(=O)NC/C=C/C[NH2+]CC(=O)NC)C1 ZINC001321401628 884493466 /nfs/dbraw/zinc/49/34/66/884493466.db2.gz ALOUDCNWGOTQAF-ZYOFXKKJSA-N 2 1 298.387 -1.285 20 0 CAADMP CC[N@H+]1CCO[C@@H](C(=O)NC/C=C/C[NH2+]CC(=O)NC)C1 ZINC001321401628 884493474 /nfs/dbraw/zinc/49/34/74/884493474.db2.gz ALOUDCNWGOTQAF-ZYOFXKKJSA-N 2 1 298.387 -1.285 20 0 CAADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@H](C)C[NH2+]CCO)C1 ZINC001321751514 884516928 /nfs/dbraw/zinc/51/69/28/884516928.db2.gz XORXXCJPPJMYNL-GHMZBOCLSA-N 2 1 259.350 -1.206 20 0 CAADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@H](C)C[NH2+]CCO)C1 ZINC001321751514 884516942 /nfs/dbraw/zinc/51/69/42/884516942.db2.gz XORXXCJPPJMYNL-GHMZBOCLSA-N 2 1 259.350 -1.206 20 0 CAADMP O[C@H](CN1C[C@H]2C[NH2+]C[C@@H]2C1)C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001322106986 884535951 /nfs/dbraw/zinc/53/59/51/884535951.db2.gz MVJNTSCNMZCKFT-ARILJUKYSA-N 2 1 280.416 -1.350 20 0 CAADMP O[C@@H](CN1C[C@H]2C[NH2+]C[C@H]2C1)C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC001322106986 884535956 /nfs/dbraw/zinc/53/59/56/884535956.db2.gz MVJNTSCNMZCKFT-ARILJUKYSA-N 3 1 280.416 -1.350 20 0 CAADMP O[C@H](CN1C[C@H]2C[NH2+]C[C@@H]2C1)CN1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001322106986 884535968 /nfs/dbraw/zinc/53/59/68/884535968.db2.gz MVJNTSCNMZCKFT-ARILJUKYSA-N 2 1 280.416 -1.350 20 0 CAADMP C[N@H+]1CC[C@H](CNC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC001326026142 884758322 /nfs/dbraw/zinc/75/83/22/884758322.db2.gz CBCFULCKPFLZDE-MNOVXSKESA-N 2 1 268.361 -1.078 20 0 CAADMP C[N@H+]1CC[C@@H](CNC(=O)CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC001326026144 884760842 /nfs/dbraw/zinc/76/08/42/884760842.db2.gz CBCFULCKPFLZDE-WDEREUQCSA-N 2 1 268.361 -1.078 20 0 CAADMP Cc1c[nH+]cn1CC(=O)N(CCO)CC[NH2+]C[C@H](C)O ZINC001326061909 884762546 /nfs/dbraw/zinc/76/25/46/884762546.db2.gz HQIHCOIQDPZBCM-LBPRGKRZSA-N 2 1 284.360 -1.017 20 0 CAADMP CC(C)(C(N)=O)N1CC[NH+](CCOCC[NH3+])CC1 ZINC001326421034 884791104 /nfs/dbraw/zinc/79/11/04/884791104.db2.gz NCMHBQBZQLWUBE-UHFFFAOYSA-N 2 1 258.366 -1.157 20 0 CAADMP COCCNC(=O)CN1CC[NH+](CCOCC[NH3+])CC1 ZINC001326420989 884792677 /nfs/dbraw/zinc/79/26/77/884792677.db2.gz MBFSFQYCFKAICM-UHFFFAOYSA-N 2 1 288.392 -1.658 20 0 CAADMP C[N@H+](C[C@H](O)C[NH2+]C[C@@H](O)Cn1ccnn1)C1CC1 ZINC001326520238 884803992 /nfs/dbraw/zinc/80/39/92/884803992.db2.gz ZDCHIRQSJRNMDK-VXGBXAGGSA-N 2 1 269.349 -1.316 20 0 CAADMP C[N@@H+](C[C@H](O)C[NH2+]C[C@@H](O)Cn1ccnn1)C1CC1 ZINC001326520238 884804011 /nfs/dbraw/zinc/80/40/11/884804011.db2.gz ZDCHIRQSJRNMDK-VXGBXAGGSA-N 2 1 269.349 -1.316 20 0 CAADMP C[N@H+](C[C@@H](O)C[NH2+]C[C@@H](O)Cn1ccnn1)C1CC1 ZINC001326520236 884805793 /nfs/dbraw/zinc/80/57/93/884805793.db2.gz ZDCHIRQSJRNMDK-NWDGAFQWSA-N 2 1 269.349 -1.316 20 0 CAADMP C[N@@H+](C[C@@H](O)C[NH2+]C[C@@H](O)Cn1ccnn1)C1CC1 ZINC001326520236 884805808 /nfs/dbraw/zinc/80/58/08/884805808.db2.gz ZDCHIRQSJRNMDK-NWDGAFQWSA-N 2 1 269.349 -1.316 20 0 CAADMP CNC(=O)[C@@H]1C[N@H+](CCN2CC[NH2+]CC2)CCO1 ZINC001327090297 884861459 /nfs/dbraw/zinc/86/14/59/884861459.db2.gz VBDLMWZOAQTSLS-NSHDSACASA-N 2 1 256.350 -1.662 20 0 CAADMP CNC(=O)[C@@H]1C[N@@H+](CCN2CC[NH2+]CC2)CCO1 ZINC001327090297 884861480 /nfs/dbraw/zinc/86/14/80/884861480.db2.gz VBDLMWZOAQTSLS-NSHDSACASA-N 2 1 256.350 -1.662 20 0 CAADMP O=C(C[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1)N1CC[NH2+]CC1 ZINC001327088828 884861755 /nfs/dbraw/zinc/86/17/55/884861755.db2.gz CVYUQLDDUMUTCX-ZDUSSCGKSA-N 3 1 281.404 -1.602 20 0 CAADMP O=C(CN1CC[C@H](N2CC[NH2+]CC2)C1)N1CC[NH2+]CC1 ZINC001327088828 884861767 /nfs/dbraw/zinc/86/17/67/884861767.db2.gz CVYUQLDDUMUTCX-ZDUSSCGKSA-N 2 1 281.404 -1.602 20 0 CAADMP C[NH2+][C@H](C)CCNC(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC001327160215 884868657 /nfs/dbraw/zinc/86/86/57/884868657.db2.gz NGPNYYCDKKEGBR-GRYCIOLGSA-N 2 1 298.387 -1.622 20 0 CAADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC001327501034 884893484 /nfs/dbraw/zinc/89/34/84/884893484.db2.gz RFNNLPOICJVOAY-WDEREUQCSA-N 2 1 283.376 -2.174 20 0 CAADMP C([C@@H]1CNCCO1)[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC001327597714 884907864 /nfs/dbraw/zinc/90/78/64/884907864.db2.gz SPCWAUFUVUUCRF-STQMWFEESA-N 3 1 254.378 -1.046 20 0 CAADMP C([C@@H]1C[NH2+]CCO1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC001327597714 884907875 /nfs/dbraw/zinc/90/78/75/884907875.db2.gz SPCWAUFUVUUCRF-STQMWFEESA-N 3 1 254.378 -1.046 20 0 CAADMP O[C@@H]1C[NH+](C/C=C\C[N@H+]2C[C@@H](O)[C@@H](O)C2)C[C@@H]1O ZINC001327617966 884913993 /nfs/dbraw/zinc/91/39/93/884913993.db2.gz YFIXVUYEFJFCRU-MQOWWWJOSA-N 2 1 258.318 -2.383 20 0 CAADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C1=NO[C@@H](C[NH3+])C1 ZINC001327929144 884943524 /nfs/dbraw/zinc/94/35/24/884943524.db2.gz OAJOFZMTEKMFFB-VHSXEESVSA-N 2 1 269.349 -1.548 20 0 CAADMP OC[C@@H]1C[C@@H](O)C[NH+]1C/C=C\C[N@@H+]1C[C@H](O)C[C@H]1CO ZINC001328380410 884978277 /nfs/dbraw/zinc/97/82/77/884978277.db2.gz DCPZRKBGCBJMEF-YHZXAACMSA-N 2 1 286.372 -1.602 20 0 CAADMP C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC001329466336 885106189 /nfs/dbraw/zinc/10/61/89/885106189.db2.gz AMCMZNOAEGKOFD-TUAOUCFPSA-N 2 1 299.419 -1.410 20 0 CAADMP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC001329466334 885107958 /nfs/dbraw/zinc/10/79/58/885107958.db2.gz AMCMZNOAEGKOFD-SRVKXCTJSA-N 2 1 299.419 -1.410 20 0 CAADMP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](CCN2CC[NH2+]CC2)C1 ZINC001329490462 885109696 /nfs/dbraw/zinc/10/96/96/885109696.db2.gz LMPDNWKNBOELKU-ZDUSSCGKSA-N 3 1 283.420 -1.322 20 0 CAADMP Cn1nnnc1CC[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC001329753219 885135637 /nfs/dbraw/zinc/13/56/37/885135637.db2.gz DWKHQKWOUFXDKV-NSHDSACASA-N 2 1 265.365 -1.268 20 0 CAADMP Cn1nnnc1CC[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC001329752960 885135968 /nfs/dbraw/zinc/13/59/68/885135968.db2.gz DWKHQKWOUFXDKV-LLVKDONJSA-N 2 1 265.365 -1.268 20 0 CAADMP [NH3+]C[C@H]1CCN(C(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)C1 ZINC001329974605 885161616 /nfs/dbraw/zinc/16/16/16/885161616.db2.gz VUBDOVWBPLLHKN-GRYCIOLGSA-N 2 1 296.371 -1.929 20 0 CAADMP C[N@H+]1CC[C@@H]2CN(C(=O)CNC(=O)C[NH3+])CC[C@H]21 ZINC001330649291 885213231 /nfs/dbraw/zinc/21/32/31/885213231.db2.gz XQHMSUIUCDCEQF-NXEZZACHSA-N 2 1 254.334 -1.386 20 0 CAADMP C[C@@H](NC(=O)C(=O)NC[C@H]1C[C@@H]([NH3+])C1)[C@@H]1C[N@H+](C)CCO1 ZINC001331148653 885256226 /nfs/dbraw/zinc/25/62/26/885256226.db2.gz GQQKVTHYUBFBAB-WYUUTHIRSA-N 2 1 298.387 -1.325 20 0 CAADMP C[C@@H](NC(=O)C(=O)NC[C@H]1C[C@@H]([NH3+])C1)[C@@H]1C[N@@H+](C)CCO1 ZINC001331148653 885256241 /nfs/dbraw/zinc/25/62/41/885256241.db2.gz GQQKVTHYUBFBAB-WYUUTHIRSA-N 2 1 298.387 -1.325 20 0 CAADMP C[C@@H](NC(=O)C(=O)NC[C@H]1C[C@@H]([NH3+])C1)[C@H]1C[N@H+](C)CCO1 ZINC001331148652 885256664 /nfs/dbraw/zinc/25/66/64/885256664.db2.gz GQQKVTHYUBFBAB-WISYIIOYSA-N 2 1 298.387 -1.325 20 0 CAADMP C[C@@H](NC(=O)C(=O)NC[C@H]1C[C@@H]([NH3+])C1)[C@H]1C[N@@H+](C)CCO1 ZINC001331148652 885256685 /nfs/dbraw/zinc/25/66/85/885256685.db2.gz GQQKVTHYUBFBAB-WISYIIOYSA-N 2 1 298.387 -1.325 20 0 CAADMP C[C@H](NC(=O)C(=O)NC[C@H]1C[C@@H]([NH3+])C1)[C@H]1C[N@H+](C)CCO1 ZINC001331148651 885258675 /nfs/dbraw/zinc/25/86/75/885258675.db2.gz GQQKVTHYUBFBAB-NNYUYHANSA-N 2 1 298.387 -1.325 20 0 CAADMP C[C@H](NC(=O)C(=O)NC[C@H]1C[C@@H]([NH3+])C1)[C@H]1C[N@@H+](C)CCO1 ZINC001331148651 885258691 /nfs/dbraw/zinc/25/86/91/885258691.db2.gz GQQKVTHYUBFBAB-NNYUYHANSA-N 2 1 298.387 -1.325 20 0 CAADMP C[C@H](CN(C)C(=O)[C@H]1C[N@H+](C)CCO1)[NH2+]CCO ZINC001331411219 885274243 /nfs/dbraw/zinc/27/42/43/885274243.db2.gz UHJSQTNXLZVFMC-GHMZBOCLSA-N 2 1 259.350 -1.254 20 0 CAADMP C[C@H](CN(C)C(=O)[C@H]1C[N@@H+](C)CCO1)[NH2+]CCO ZINC001331411219 885274258 /nfs/dbraw/zinc/27/42/58/885274258.db2.gz UHJSQTNXLZVFMC-GHMZBOCLSA-N 2 1 259.350 -1.254 20 0 CAADMP NS(=O)(=O)CCC[N@@H+]1CCCO[C@H](C[NH3+])C1 ZINC001331933568 885369167 /nfs/dbraw/zinc/36/91/67/885369167.db2.gz QVWVEOCGJHYSHR-SECBINFHSA-N 2 1 251.352 -1.285 20 0 CAADMP NS(=O)(=O)CCC[N@H+]1CCCO[C@H](C[NH3+])C1 ZINC001331933568 885369188 /nfs/dbraw/zinc/36/91/88/885369188.db2.gz QVWVEOCGJHYSHR-SECBINFHSA-N 2 1 251.352 -1.285 20 0 CAADMP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)NCC[C@H](C)[NH3+])C1 ZINC001331950551 885370511 /nfs/dbraw/zinc/37/05/11/885370511.db2.gz USMHDYVUVSZWQB-WDEREUQCSA-N 2 1 286.376 -1.323 20 0 CAADMP C[C@H](NC(=O)C(=O)NC[C@H]1C[C@H]([NH3+])C1)[C@H]1C[N@H+](C)CCO1 ZINC001332287309 885396456 /nfs/dbraw/zinc/39/64/56/885396456.db2.gz GQQKVTHYUBFBAB-FIQHERPVSA-N 2 1 298.387 -1.325 20 0 CAADMP C[C@H](NC(=O)C(=O)NC[C@H]1C[C@H]([NH3+])C1)[C@H]1C[N@@H+](C)CCO1 ZINC001332287309 885396468 /nfs/dbraw/zinc/39/64/68/885396468.db2.gz GQQKVTHYUBFBAB-FIQHERPVSA-N 2 1 298.387 -1.325 20 0 CAADMP C[N@@H+](C[C@H](O)C[NH3+])C[C@@H](O)COC[C@@H]1CCCO1 ZINC001332334988 885399604 /nfs/dbraw/zinc/39/96/04/885399604.db2.gz QIDGBMIDSYUAAX-UTUOFQBUSA-N 2 1 262.350 -1.206 20 0 CAADMP C[C@H]([NH3+])CN1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC001332816520 885440829 /nfs/dbraw/zinc/44/08/29/885440829.db2.gz UZYHHMBLDWEPRR-VIFPVBQESA-N 2 1 262.379 -1.747 20 0 CAADMP CN(CCOCC[NH2+]CC(N)=O)C(=O)[C@H]1CCC[N@H+]1C ZINC001333243937 885464359 /nfs/dbraw/zinc/46/43/59/885464359.db2.gz CUXHQSPRYANOOR-LLVKDONJSA-N 2 1 286.376 -1.370 20 0 CAADMP NC(=O)C[C@@H]1C[N@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)CCO1 ZINC001333529591 885486317 /nfs/dbraw/zinc/48/63/17/885486317.db2.gz OLSOALJGVJLZKD-MNOVXSKESA-N 2 1 269.345 -1.059 20 0 CAADMP NC(=O)C[C@@H]1C[N@@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)CCO1 ZINC001333529591 885486321 /nfs/dbraw/zinc/48/63/21/885486321.db2.gz OLSOALJGVJLZKD-MNOVXSKESA-N 2 1 269.345 -1.059 20 0 CAADMP C[N@@H+](CCNC(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)C1CC1 ZINC001333941547 885513426 /nfs/dbraw/zinc/51/34/26/885513426.db2.gz VTKQPHFZWWKADT-ONGXEEELSA-N 2 1 266.345 -1.231 20 0 CAADMP OCC[NH+]1CCN(C[C@@H]2CC3(C[NH2+]C3)CO2)CC1 ZINC001335191128 885589513 /nfs/dbraw/zinc/58/95/13/885589513.db2.gz ZKVZMWYKGYNLFF-LBPRGKRZSA-N 2 1 255.362 -1.025 20 0 CAADMP C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC001335752312 885633055 /nfs/dbraw/zinc/63/30/55/885633055.db2.gz WVGVIVREZVVRKT-IJLUTSLNSA-N 2 1 297.403 -1.928 20 0 CAADMP CC[N@@H+](CCC(=O)NC)CC(=O)N1CC[NH2+]CC1 ZINC001336279139 885656559 /nfs/dbraw/zinc/65/65/59/885656559.db2.gz ZOZANGYSQWAJLF-UHFFFAOYSA-N 2 1 256.350 -1.124 20 0 CAADMP C[C@@H](NC(=O)C(=O)N[C@H]1C[C@H](C[NH3+])C1)[C@H]1C[N@H+](C)CCO1 ZINC001336631429 885671909 /nfs/dbraw/zinc/67/19/09/885671909.db2.gz PRQYGGIUVJSSIG-DDHJBXDOSA-N 2 1 298.387 -1.325 20 0 CAADMP C[C@@H](NC(=O)C(=O)N[C@H]1C[C@H](C[NH3+])C1)[C@H]1C[N@@H+](C)CCO1 ZINC001336631429 885671919 /nfs/dbraw/zinc/67/19/19/885671919.db2.gz PRQYGGIUVJSSIG-DDHJBXDOSA-N 2 1 298.387 -1.325 20 0 CAADMP C[C@H](NC(=O)C(=O)N[C@H]1C[C@H](C[NH3+])C1)[C@H]1C[N@H+](C)CCO1 ZINC001336631431 885672684 /nfs/dbraw/zinc/67/26/84/885672684.db2.gz PRQYGGIUVJSSIG-FIQHERPVSA-N 2 1 298.387 -1.325 20 0 CAADMP C[C@H](NC(=O)C(=O)N[C@H]1C[C@H](C[NH3+])C1)[C@H]1C[N@@H+](C)CCO1 ZINC001336631431 885672691 /nfs/dbraw/zinc/67/26/91/885672691.db2.gz PRQYGGIUVJSSIG-FIQHERPVSA-N 2 1 298.387 -1.325 20 0 CAADMP [NH3+]C[C@H]1C[C@H](NC(=O)C(=O)NCCC[NH+]2CCOCC2)C1 ZINC001336646558 885675536 /nfs/dbraw/zinc/67/55/36/885675536.db2.gz PUXCXOZGBACKGF-HAQNSBGRSA-N 2 1 298.387 -1.322 20 0 CAADMP COCC[N@H+]1CC[C@H](NC(=O)C(=O)NC[C@H]2C[C@H]([NH3+])C2)C1 ZINC001337456360 885703545 /nfs/dbraw/zinc/70/35/45/885703545.db2.gz UWEBHHZZZMATNJ-SRVKXCTJSA-N 2 1 298.387 -1.323 20 0 CAADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCN3[C@H](CNS3(=O)=O)C2)C1 ZINC001337838363 885724588 /nfs/dbraw/zinc/72/45/88/885724588.db2.gz OGAGWBDYPWVZPB-KXUCPTDWSA-N 2 1 260.363 -1.442 20 0 CAADMP CN1CC[NH+](CCCNC(=O)[C@]2(C)C[C@H](O)C[NH2+]2)CC1 ZINC001340114764 885790583 /nfs/dbraw/zinc/79/05/83/885790583.db2.gz WSUZEFYPAFHHDY-JSGCOSHPSA-N 2 1 284.404 -1.147 20 0 CAADMP CN1CC[NH2+]C[C@H]1C(=O)N1CC[NH2+]C[C@H]1C(F)F ZINC001340165059 885793894 /nfs/dbraw/zinc/79/38/94/885793894.db2.gz RXIVXTTWHGUFMP-IUCAKERBSA-N 2 1 262.304 -1.045 20 0 CAADMP CN1CC[NH2+]C[C@@H]1C(=O)N1CC[NH2+]C[C@@H]1C(F)F ZINC001340165061 885795116 /nfs/dbraw/zinc/79/51/16/885795116.db2.gz RXIVXTTWHGUFMP-RKDXNWHRSA-N 2 1 262.304 -1.045 20 0 CAADMP C[N@H+]1CCC[C@@H](N2CCN(C(=O)CNCC[NH3+])CC2)C1 ZINC001340249675 885797931 /nfs/dbraw/zinc/79/79/31/885797931.db2.gz QTYYYLFQQZLGEQ-CYBMUJFWSA-N 2 1 283.420 -1.227 20 0 CAADMP [NH3+]C[C@H](O)CC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC001340738065 885813665 /nfs/dbraw/zinc/81/36/65/885813665.db2.gz DFNRDILCKOETLE-GHMZBOCLSA-N 2 1 257.334 -1.371 20 0 CAADMP CN1CC[NH+](CCCNC(=O)[C@@H]([NH3+])C(C)(C)O)CC1 ZINC001340894187 885819476 /nfs/dbraw/zinc/81/94/76/885819476.db2.gz KLDKOGDFBQNWIP-LLVKDONJSA-N 2 1 272.393 -1.162 20 0 CAADMP CN1CCN(C(=O)c2cn(CC[NH3+])nn2)CC[N@H+](C)CC1 ZINC001341511461 885842728 /nfs/dbraw/zinc/84/27/28/885842728.db2.gz GBIHWLPJUXNFHF-UHFFFAOYSA-N 2 1 295.391 -1.444 20 0 CAADMP CN1CCN(C(=O)c2cn(CC[NH3+])nn2)CC[N@@H+](C)CC1 ZINC001341511461 885842744 /nfs/dbraw/zinc/84/27/44/885842744.db2.gz GBIHWLPJUXNFHF-UHFFFAOYSA-N 2 1 295.391 -1.444 20 0 CAADMP CCCNC(=O)C[NH+]1CCC(NC(=O)CNCC[NH3+])CC1 ZINC001341556027 885846827 /nfs/dbraw/zinc/84/68/27/885846827.db2.gz QZTDVDJTBJXXLI-UHFFFAOYSA-N 2 1 299.419 -1.359 20 0 CAADMP C[NH+]1CCN(C(=O)CCNC(=O)[C@H]([NH3+])CO)CC1 ZINC001341646656 885851155 /nfs/dbraw/zinc/85/11/55/885851155.db2.gz QINAVSOOJRQNID-SECBINFHSA-N 2 1 258.322 -2.414 20 0 CAADMP C[C@@H](CNC(=O)[C@H]1C[NH2+]CCN1C)CN1CC[NH+](C)CC1 ZINC001341731898 885855672 /nfs/dbraw/zinc/85/56/72/885855672.db2.gz HGZMEIOQTVJMHT-UONOGXRCSA-N 2 1 297.447 -1.110 20 0 CAADMP [NH3+][C@H](CO)C(=O)N1CC[NH2+]C[C@H]1c1cccnc1 ZINC001341764454 885857923 /nfs/dbraw/zinc/85/79/23/885857923.db2.gz HIMKKUJAOSYQBU-MNOVXSKESA-N 2 1 250.302 -1.126 20 0 CAADMP C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)NC[C@H]1C[NH2+]CCO1 ZINC001341847107 885860451 /nfs/dbraw/zinc/86/04/51/885860451.db2.gz KAADGGASQMFALT-UTUOFQBUSA-N 2 1 268.361 -1.521 20 0 CAADMP COC[C@H]([NH3+])C(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCN1C ZINC001341940444 885864417 /nfs/dbraw/zinc/86/44/17/885864417.db2.gz IZMYFIINUFWAQU-GARJFASQSA-N 2 1 258.366 -1.289 20 0 CAADMP C[C@H](NC(=O)C1(O)C[NH2+]C1)[C@@H]1C[N@@H+](C)CCN1C ZINC001341939978 885865014 /nfs/dbraw/zinc/86/50/14/885865014.db2.gz AMLOMGKEIHEODF-UWVGGRQHSA-N 2 1 256.350 -1.929 20 0 CAADMP C[C@H](NC(=O)C1(O)C[NH2+]C1)[C@H]1C[N@@H+](C)CCN1C ZINC001341939979 885865044 /nfs/dbraw/zinc/86/50/44/885865044.db2.gz AMLOMGKEIHEODF-VHSXEESVSA-N 2 1 256.350 -1.929 20 0 CAADMP C[C@@H](NC(=O)C1(O)C[NH2+]C1)[C@@H]1C[N@@H+](C)CCN1C ZINC001341939980 885865852 /nfs/dbraw/zinc/86/58/52/885865852.db2.gz AMLOMGKEIHEODF-ZJUUUORDSA-N 2 1 256.350 -1.929 20 0 CAADMP C[C@@H](NC(=O)CN1CC[NH2+]CC1)[C@@H]1C[N@@H+](C)CCN1C ZINC001342717614 885896168 /nfs/dbraw/zinc/89/61/68/885896168.db2.gz MQVKCUQOZQFYBI-OLZOCXBDSA-N 2 1 283.420 -1.358 20 0 CAADMP C[C@@H](NC(=O)CN1CC[NH2+]CC1)[C@H]1C[N@@H+](C)CCN1C ZINC001342717605 885896901 /nfs/dbraw/zinc/89/69/01/885896901.db2.gz MQVKCUQOZQFYBI-CHWSQXEVSA-N 2 1 283.420 -1.358 20 0 CAADMP C[C@H](NC(=O)CN1CC[NH2+]CC1)[C@@H]1C[N@@H+](C)CCN1C ZINC001342717616 885898491 /nfs/dbraw/zinc/89/84/91/885898491.db2.gz MQVKCUQOZQFYBI-STQMWFEESA-N 2 1 283.420 -1.358 20 0 CAADMP C[C@@H](CNC(=O)C[C@H](O)C[NH3+])C[NH+]1CCOCC1 ZINC001343409449 885914810 /nfs/dbraw/zinc/91/48/10/885914810.db2.gz ODPYLINZISRYQS-QWRGUYRKSA-N 2 1 259.350 -1.219 20 0 CAADMP C[N@H+]1C[C@@H]2CC[C@H](NC(=O)CNC(=O)C[NH3+])[C@H]2C1 ZINC001343592506 885921013 /nfs/dbraw/zinc/92/10/13/885921013.db2.gz MVRSDXAGJSZUPR-GUBZILKMSA-N 2 1 254.334 -1.482 20 0 CAADMP C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)CNC(=O)C[NH3+])[C@@H]2C1 ZINC001343592508 885921746 /nfs/dbraw/zinc/92/17/46/885921746.db2.gz MVRSDXAGJSZUPR-IVZWLZJFSA-N 2 1 254.334 -1.482 20 0 CAADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)COCC[NH3+])CC1 ZINC001345767395 885968620 /nfs/dbraw/zinc/96/86/20/885968620.db2.gz QLQRQXZIACMIAT-UHFFFAOYSA-N 2 1 286.376 -1.370 20 0 CAADMP C(C[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1)N1CC[NH2+]CC1 ZINC001346028999 885981812 /nfs/dbraw/zinc/98/18/12/885981812.db2.gz RRESWXWFZNANMB-AWEZNQCLSA-N 3 1 267.421 -1.129 20 0 CAADMP COCC[N@@H+](C)C[C@@H](O)CN1C[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC001346428172 886003182 /nfs/dbraw/zinc/00/31/82/886003182.db2.gz VDWWYTYIJJPPSX-MXWKQRLJSA-N 2 1 285.344 -1.870 20 0 CAADMP O=C(NC1CC[NH2+]CC1)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC001346516040 886010090 /nfs/dbraw/zinc/01/00/90/886010090.db2.gz LURAVBRGNJDPLQ-NWDGAFQWSA-N 2 1 296.371 -1.868 20 0 CAADMP CN(CCOCC[NH3+])C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC001348306157 886067941 /nfs/dbraw/zinc/06/79/41/886067941.db2.gz IPZRWCFJYOWJTH-LBPRGKRZSA-N 2 1 287.408 -1.151 20 0 CAADMP [NH3+]C/C=C/CNC(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC001349837832 886153162 /nfs/dbraw/zinc/15/31/62/886153162.db2.gz DBQNFGYKQXTWGU-ATOIVCMTSA-N 2 1 254.334 -1.038 20 0 CAADMP [NH3+]C1CCN(C(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)CC1 ZINC001349862644 886153727 /nfs/dbraw/zinc/15/37/27/886153727.db2.gz AOFJQYCAGLMXHM-NWDGAFQWSA-N 2 1 296.371 -1.787 20 0 CAADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC001350006091 886156676 /nfs/dbraw/zinc/15/66/76/886156676.db2.gz UFEYRPCECXUKAY-SDDRHHMPSA-N 2 1 295.387 -2.079 20 0 CAADMP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC001353263081 886269482 /nfs/dbraw/zinc/26/94/82/886269482.db2.gz NWSCEEDLAODKRK-GRYCIOLGSA-N 2 1 297.403 -1.704 20 0 CAADMP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC001353263084 886270483 /nfs/dbraw/zinc/27/04/83/886270483.db2.gz NWSCEEDLAODKRK-IJLUTSLNSA-N 2 1 297.403 -1.704 20 0 CAADMP COCC[N@@H+](C)CCNC(=O)[C@@]1(C)C[C@H](O)C[NH2+]1 ZINC001353526854 886280483 /nfs/dbraw/zinc/28/04/83/886280483.db2.gz PPWSLUIDXGLMMQ-CMPLNLGQSA-N 2 1 259.350 -1.206 20 0 CAADMP C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)N1CCO[C@H](C[NH3+])C1 ZINC001353613204 886282809 /nfs/dbraw/zinc/28/28/09/886282809.db2.gz LZKQFCCGJSDDFX-UTUOFQBUSA-N 2 1 268.361 -1.439 20 0 CAADMP C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC001353613202 886283407 /nfs/dbraw/zinc/28/34/07/886283407.db2.gz LZKQFCCGJSDDFX-GRYCIOLGSA-N 2 1 268.361 -1.439 20 0 CAADMP C[NH2+]C[C@](C)(O)C[N@@H+]1CC[C@H](CS(N)(=O)=O)C1 ZINC001354184977 886300468 /nfs/dbraw/zinc/30/04/68/886300468.db2.gz OIJRKGSFAGYPJH-UWVGGRQHSA-N 2 1 265.379 -1.433 20 0 CAADMP C[NH2+]C[C@](C)(O)C[N@H+]1CC[C@H](CS(N)(=O)=O)C1 ZINC001354184977 886300484 /nfs/dbraw/zinc/30/04/84/886300484.db2.gz OIJRKGSFAGYPJH-UWVGGRQHSA-N 2 1 265.379 -1.433 20 0 CAADMP C[NH2+]C[C@](C)(O)C[N@@H+]1CC[C@@H](CS(N)(=O)=O)C1 ZINC001354184979 886300523 /nfs/dbraw/zinc/30/05/23/886300523.db2.gz OIJRKGSFAGYPJH-ZJUUUORDSA-N 2 1 265.379 -1.433 20 0 CAADMP C[NH2+]C[C@](C)(O)C[N@H+]1CC[C@@H](CS(N)(=O)=O)C1 ZINC001354184979 886300535 /nfs/dbraw/zinc/30/05/35/886300535.db2.gz OIJRKGSFAGYPJH-ZJUUUORDSA-N 2 1 265.379 -1.433 20 0 CAADMP CNC(=O)NC(=O)[C@@H](C)N1CC[NH2+]CC[NH2+]CC1 ZINC001354186074 886301450 /nfs/dbraw/zinc/30/14/50/886301450.db2.gz YOQJZHKWBHQVPM-SECBINFHSA-N 2 1 257.338 -1.675 20 0 CAADMP C[NH2+][C@@H](C(=O)NCC1(O)C[NH2+]C1)c1cnn(C)c1 ZINC001354223491 886307646 /nfs/dbraw/zinc/30/76/46/886307646.db2.gz MNNZULREQCZSOI-SECBINFHSA-N 2 1 253.306 -1.869 20 0 CAADMP C[C@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC001354474630 886314698 /nfs/dbraw/zinc/31/46/98/886314698.db2.gz MGKUGMKBJGRZDG-FIQHERPVSA-N 2 1 250.346 -1.053 20 0 CAADMP C[N@@H+]1CCN(C(=O)[C@H]2CCCN(CC[NH3+])C2=O)[C@@H](CO)C1 ZINC001356251610 886359228 /nfs/dbraw/zinc/35/92/28/886359228.db2.gz BXHBOVFLIKXHRI-NEPJUHHUSA-N 2 1 298.387 -1.681 20 0 CAADMP C[N@H+]1CCN(C(=O)[C@H]2CCCN(CC[NH3+])C2=O)[C@@H](CO)C1 ZINC001356251610 886359239 /nfs/dbraw/zinc/35/92/39/886359239.db2.gz BXHBOVFLIKXHRI-NEPJUHHUSA-N 2 1 298.387 -1.681 20 0 CAADMP C[C@@H]([NH3+])C(=O)NC[C@@]1(CO)COC[C@@H]2CCC[N@H+]21 ZINC001356401320 886362405 /nfs/dbraw/zinc/36/24/05/886362405.db2.gz AFUIJBJOCFEPRR-JFGNBEQYSA-N 2 1 257.334 -1.325 20 0 CAADMP C[C@H]([NH3+])C(=O)NC[C@@]1(CO)COC[C@@H]2CCC[N@H+]21 ZINC001356401319 886362757 /nfs/dbraw/zinc/36/27/57/886362757.db2.gz AFUIJBJOCFEPRR-JBLDHEPKSA-N 2 1 257.334 -1.325 20 0 CAADMP C[C@@H](CNC(=O)CNCC[NH3+])C[NH+]1CCOCC1 ZINC001357385576 886402212 /nfs/dbraw/zinc/40/22/12/886402212.db2.gz WDPLICZXJKJODR-NSHDSACASA-N 2 1 258.366 -1.381 20 0 CAADMP C[NH2+]C[C@@H](O)[C@H](C)C(=O)NCC[N@@H+](C)CCOC ZINC001357391677 886402302 /nfs/dbraw/zinc/40/23/02/886402302.db2.gz KZTAOFUVCFWJHU-WDEREUQCSA-N 2 1 261.366 -1.103 20 0 CAADMP [NH3+][C@H](CO)C(=O)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC001357396612 886407249 /nfs/dbraw/zinc/40/72/49/886407249.db2.gz LIRAUPQZVVZUMH-MXWKQRLJSA-N 2 1 257.334 -1.636 20 0 CAADMP C[C@H]1Cn2nc(C(=O)NCC3(O)C[NH2+]C3)cc2C[NH2+]1 ZINC001357820803 886415608 /nfs/dbraw/zinc/41/56/08/886415608.db2.gz IHVFIBXAPJBCMV-QMMMGPOBSA-N 2 1 265.317 -1.561 20 0 CAADMP C[NH2+]CCC(=O)N1CC[NH2+]CCN(C(=O)CC[NH2+]C)CC1 ZINC001358183090 886421454 /nfs/dbraw/zinc/42/14/54/886421454.db2.gz JTJLQQGXXVFOKZ-UHFFFAOYSA-N 3 1 299.419 -1.534 20 0 CAADMP [NH3+][C@H](CO)C(=O)NCCCCC[NH+]1CCNCC1 ZINC001358214671 886421549 /nfs/dbraw/zinc/42/15/49/886421549.db2.gz ZOSMCBGSNAQNAF-LLVKDONJSA-N 2 1 258.366 -1.502 20 0 CAADMP CN1CCN(C(=O)C2=NO[C@H](C[NH3+])C2)CC[N@@H+](C)CC1 ZINC001358444201 886426734 /nfs/dbraw/zinc/42/67/34/886426734.db2.gz JGZRGDVYZVDWCS-NSHDSACASA-N 2 1 283.376 -1.204 20 0 CAADMP CN1CCN(C(=O)[C@@H](N)CC[NH+](C)C)CC[N@@H+](C)CC1 ZINC001358444195 886426991 /nfs/dbraw/zinc/42/69/91/886426991.db2.gz IXNGFUUQFODEQK-ZDUSSCGKSA-N 2 1 285.436 -1.029 20 0 CAADMP C[NH+](C)C[C@H](CO)NC(=O)C[N@@H+](C)[C@@H]1CCC[C@H]1O ZINC001362838293 886725985 /nfs/dbraw/zinc/72/59/85/886725985.db2.gz HBEYNAPIWIULPQ-IJLUTSLNSA-N 2 1 273.377 -1.130 20 0 CAADMP C[NH+](CC(=O)NCC[N@@H+](C)CCO)[C@@H]1CCC[C@H]1O ZINC001363492843 886916376 /nfs/dbraw/zinc/91/63/76/886916376.db2.gz AWVMPYZSWSBQDI-VXGBXAGGSA-N 2 1 273.377 -1.128 20 0 CAADMP C[NH+](CCO)CCNC(=O)C[N@H+](C)[C@@H]1CCC[C@H]1O ZINC001363492843 886916378 /nfs/dbraw/zinc/91/63/78/886916378.db2.gz AWVMPYZSWSBQDI-VXGBXAGGSA-N 2 1 273.377 -1.128 20 0 CAADMP Cn1c[nH+]cc1CCC[N@@H+]1C[C@H](C(N)=O)[C@H](C(N)=O)C1 ZINC001364449525 887088631 /nfs/dbraw/zinc/08/86/31/887088631.db2.gz BXFCVXULXKJFKI-PHIMTYICSA-N 2 1 279.344 -1.129 20 0 CAADMP Cn1c[nH+]cc1CCC[N@H+]1C[C@H](C(N)=O)[C@H](C(N)=O)C1 ZINC001364449525 887088639 /nfs/dbraw/zinc/08/86/39/887088639.db2.gz BXFCVXULXKJFKI-PHIMTYICSA-N 2 1 279.344 -1.129 20 0 CAADMP C[NH+]1CCN(c2ncc(C[NH2+]C(CO)CO)cn2)CC1 ZINC001364582050 887111863 /nfs/dbraw/zinc/11/18/63/887111863.db2.gz QSZFRYIQYPSLQY-UHFFFAOYSA-N 2 1 281.360 -1.329 20 0 CAADMP Cn1nnnc1C[NH2+][C@H]1C[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001366122946 887271936 /nfs/dbraw/zinc/27/19/36/887271936.db2.gz JCSAFZPDCLWOIX-MGCOHNPYSA-N 2 1 281.364 -1.101 20 0 CAADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H]([NH2+]CC(=O)NC)C2)C1 ZINC001366130089 887272123 /nfs/dbraw/zinc/27/21/23/887272123.db2.gz KDSGMBJRPFVUKK-SRVKXCTJSA-N 2 1 298.387 -1.310 20 0 CAADMP CC[N@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H]([NH2+]CC(=O)NC)C2)C1 ZINC001366130089 887272136 /nfs/dbraw/zinc/27/21/36/887272136.db2.gz KDSGMBJRPFVUKK-SRVKXCTJSA-N 2 1 298.387 -1.310 20 0 CAADMP NC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001366162481 887276478 /nfs/dbraw/zinc/27/64/78/887276478.db2.gz NKUHFWYWRHMOIB-PHIMTYICSA-N 2 1 284.360 -1.569 20 0 CAADMP C[C@@H](CNC(=O)CC[NH+]1CCOCC1)[NH2+]CC(N)=O ZINC001366346192 887288209 /nfs/dbraw/zinc/28/82/09/887288209.db2.gz NUNYCUGSQBHIRK-JTQLQIEISA-N 2 1 272.349 -1.712 20 0 CAADMP C[C@H](CNC(=O)CC[NH+]1CCOCC1)[NH2+]CC(N)=O ZINC001366346193 887290373 /nfs/dbraw/zinc/29/03/73/887290373.db2.gz NUNYCUGSQBHIRK-SNVBAGLBSA-N 2 1 272.349 -1.712 20 0 CAADMP CCC[N@@H+](C)CC(=O)N1CC[C@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001366391593 887297923 /nfs/dbraw/zinc/29/79/23/887297923.db2.gz WRKKQMDNAPYUSZ-JTQLQIEISA-N 2 1 299.375 -1.286 20 0 CAADMP CC[N@@H+]1CCO[C@H](C(=O)N2CC[C@H](C[NH2+]CC(N)=O)C2)C1 ZINC001366405852 887300232 /nfs/dbraw/zinc/30/02/32/887300232.db2.gz DKIILYQZVVKYMQ-NEPJUHHUSA-N 2 1 298.387 -1.370 20 0 CAADMP CC[N@H+]1CCO[C@H](C(=O)N2CC[C@H](C[NH2+]CC(N)=O)C2)C1 ZINC001366405852 887300246 /nfs/dbraw/zinc/30/02/46/887300246.db2.gz DKIILYQZVVKYMQ-NEPJUHHUSA-N 2 1 298.387 -1.370 20 0 CAADMP C[C@@H](C(=O)NC(N)=O)[N@H+](C)CCNC(=O)[C@H]1CCC[NH+]1C ZINC001366520870 887302349 /nfs/dbraw/zinc/30/23/49/887302349.db2.gz SOFKOVBYBHGKSQ-VHSXEESVSA-N 2 1 299.375 -1.288 20 0 CAADMP C[C@@H](C(=O)NC(N)=O)[N@@H+](C)CCNC(=O)[C@H]1CCC[NH+]1C ZINC001366520870 887302363 /nfs/dbraw/zinc/30/23/63/887302363.db2.gz SOFKOVBYBHGKSQ-VHSXEESVSA-N 2 1 299.375 -1.288 20 0 CAADMP C[C@@H](C(=O)NC(N)=O)[NH+](C)CCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001366520870 887302373 /nfs/dbraw/zinc/30/23/73/887302373.db2.gz SOFKOVBYBHGKSQ-VHSXEESVSA-N 2 1 299.375 -1.288 20 0 CAADMP C[C@@H](C(=O)NC(N)=O)[NH+](C)CCNC(=O)[C@H]1CCC[N@H+]1C ZINC001366520870 887302383 /nfs/dbraw/zinc/30/23/83/887302383.db2.gz SOFKOVBYBHGKSQ-VHSXEESVSA-N 2 1 299.375 -1.288 20 0 CAADMP C[C@H](C(=O)NC(N)=O)[N@H+](C)CCNC(=O)[C@H]1CCC[NH+]1C ZINC001366520862 887302646 /nfs/dbraw/zinc/30/26/46/887302646.db2.gz SOFKOVBYBHGKSQ-NXEZZACHSA-N 2 1 299.375 -1.288 20 0 CAADMP C[C@H](C(=O)NC(N)=O)[N@@H+](C)CCNC(=O)[C@H]1CCC[NH+]1C ZINC001366520862 887302649 /nfs/dbraw/zinc/30/26/49/887302649.db2.gz SOFKOVBYBHGKSQ-NXEZZACHSA-N 2 1 299.375 -1.288 20 0 CAADMP C[C@H](C(=O)NC(N)=O)[NH+](C)CCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001366520862 887302651 /nfs/dbraw/zinc/30/26/51/887302651.db2.gz SOFKOVBYBHGKSQ-NXEZZACHSA-N 2 1 299.375 -1.288 20 0 CAADMP C[C@H](C(=O)NC(N)=O)[NH+](C)CCNC(=O)[C@H]1CCC[N@H+]1C ZINC001366520862 887302654 /nfs/dbraw/zinc/30/26/54/887302654.db2.gz SOFKOVBYBHGKSQ-NXEZZACHSA-N 2 1 299.375 -1.288 20 0 CAADMP C[C@H](C(=O)NC(N)=O)[N@H+](C)CCNC(=O)[C@@H]1CCC[NH+]1C ZINC001366520874 887305553 /nfs/dbraw/zinc/30/55/53/887305553.db2.gz SOFKOVBYBHGKSQ-ZJUUUORDSA-N 2 1 299.375 -1.288 20 0 CAADMP C[C@H](C(=O)NC(N)=O)[N@@H+](C)CCNC(=O)[C@@H]1CCC[NH+]1C ZINC001366520874 887305565 /nfs/dbraw/zinc/30/55/65/887305565.db2.gz SOFKOVBYBHGKSQ-ZJUUUORDSA-N 2 1 299.375 -1.288 20 0 CAADMP C[C@H](C(=O)NC(N)=O)[NH+](C)CCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001366520874 887305574 /nfs/dbraw/zinc/30/55/74/887305574.db2.gz SOFKOVBYBHGKSQ-ZJUUUORDSA-N 2 1 299.375 -1.288 20 0 CAADMP C[C@H](C(=O)NC(N)=O)[NH+](C)CCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001366520874 887305587 /nfs/dbraw/zinc/30/55/87/887305587.db2.gz SOFKOVBYBHGKSQ-ZJUUUORDSA-N 2 1 299.375 -1.288 20 0 CAADMP CN(CC[NH2+][C@@H]1CCNC1=O)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001366760009 887335677 /nfs/dbraw/zinc/33/56/77/887335677.db2.gz IBLNRHRVPDCIJZ-MNOVXSKESA-N 2 1 284.360 -1.747 20 0 CAADMP CN(CC[NH2+][C@@H]1CCNC1=O)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001366760009 887335691 /nfs/dbraw/zinc/33/56/91/887335691.db2.gz IBLNRHRVPDCIJZ-MNOVXSKESA-N 2 1 284.360 -1.747 20 0 CAADMP CN(CC[NH2+][C@H]1CCN(C)C1=O)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001366765609 887336409 /nfs/dbraw/zinc/33/64/09/887336409.db2.gz TXYBMLHTWCJMCV-NWDGAFQWSA-N 2 1 298.387 -1.404 20 0 CAADMP CN(CC[NH2+][C@H]1CCN(C)C1=O)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001366765609 887336421 /nfs/dbraw/zinc/33/64/21/887336421.db2.gz TXYBMLHTWCJMCV-NWDGAFQWSA-N 2 1 298.387 -1.404 20 0 CAADMP CN(CC[NH2+][C@H]1CCN(C)C1=O)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001366765610 887336727 /nfs/dbraw/zinc/33/67/27/887336727.db2.gz TXYBMLHTWCJMCV-RYUDHWBXSA-N 2 1 298.387 -1.404 20 0 CAADMP CN(CC[NH2+][C@H]1CCN(C)C1=O)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001366765610 887336740 /nfs/dbraw/zinc/33/67/40/887336740.db2.gz TXYBMLHTWCJMCV-RYUDHWBXSA-N 2 1 298.387 -1.404 20 0 CAADMP C[C@H]([NH2+]CCN(C)C(=O)[C@H]1C[N@H+](C)CCO1)C(N)=O ZINC001366766144 887337593 /nfs/dbraw/zinc/33/75/93/887337593.db2.gz VNCBEGPPCNSZDL-VHSXEESVSA-N 2 1 272.349 -1.761 20 0 CAADMP C[C@H]([NH2+]CCN(C)C(=O)[C@H]1C[N@@H+](C)CCO1)C(N)=O ZINC001366766144 887337599 /nfs/dbraw/zinc/33/75/99/887337599.db2.gz VNCBEGPPCNSZDL-VHSXEESVSA-N 2 1 272.349 -1.761 20 0 CAADMP CC[C@H](C(=O)NC[C@H](O)C[NH2+]Cc1nnnn1C)[NH+](C)C ZINC001367592136 887406184 /nfs/dbraw/zinc/40/61/84/887406184.db2.gz FJSJUOJZIOGVAE-NXEZZACHSA-N 2 1 299.379 -1.883 20 0 CAADMP Cc1c[nH+]cn1CC(=O)NC[C@H](O)C[NH2+]C[C@@H](C)O ZINC001367606492 887408659 /nfs/dbraw/zinc/40/86/59/887408659.db2.gz YBPACKJEGPIPIP-GHMZBOCLSA-N 2 1 270.333 -1.361 20 0 CAADMP Cc1c[nH+]cn1CC(=O)NC[C@@H](O)C[NH2+]C[C@H](C)O ZINC001367606585 887410066 /nfs/dbraw/zinc/41/00/66/887410066.db2.gz YBPACKJEGPIPIP-QWRGUYRKSA-N 2 1 270.333 -1.361 20 0 CAADMP CCC[N@@H+](C)CC(=O)NC[C@@H](O)C[NH2+][C@@H]1CCNC1=O ZINC001367624535 887412912 /nfs/dbraw/zinc/41/29/12/887412912.db2.gz RALVKZXKMNRRRU-WDEREUQCSA-N 2 1 286.376 -1.717 20 0 CAADMP CC(C)[N@@H+](C)CC(=O)NC[C@H](O)C[NH2+][C@@H]1CCNC1=O ZINC001367632064 887414570 /nfs/dbraw/zinc/41/45/70/887414570.db2.gz SLSRORGDKBBIEN-GHMZBOCLSA-N 2 1 286.376 -1.718 20 0 CAADMP CNC(=O)NC(=O)C[NH2+]C[C@H](C)NC(=O)[C@H]1CCC[N@H+]1C ZINC001367749175 887431187 /nfs/dbraw/zinc/43/11/87/887431187.db2.gz KIZLTGGKHPZHSX-VHSXEESVSA-N 2 1 299.375 -1.370 20 0 CAADMP CC[C@@H]([NH2+]C1(CNC(=O)[C@@H]2C[N@H+](C)CCO2)CC1)C(N)=O ZINC001367992301 887444030 /nfs/dbraw/zinc/44/40/30/887444030.db2.gz WWSGVVOOSBCXTP-MNOVXSKESA-N 2 1 298.387 -1.181 20 0 CAADMP CC[C@@H]([NH2+]C1(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1)C(N)=O ZINC001367992301 887444036 /nfs/dbraw/zinc/44/40/36/887444036.db2.gz WWSGVVOOSBCXTP-MNOVXSKESA-N 2 1 298.387 -1.181 20 0 CAADMP CC[C@@H]([NH2+]C1(CNC(=O)[C@H]2C[N@H+](C)CCO2)CC1)C(N)=O ZINC001367992297 887446259 /nfs/dbraw/zinc/44/62/59/887446259.db2.gz WWSGVVOOSBCXTP-GHMZBOCLSA-N 2 1 298.387 -1.181 20 0 CAADMP CC[C@@H]([NH2+]C1(CNC(=O)[C@H]2C[N@@H+](C)CCO2)CC1)C(N)=O ZINC001367992297 887446274 /nfs/dbraw/zinc/44/62/74/887446274.db2.gz WWSGVVOOSBCXTP-GHMZBOCLSA-N 2 1 298.387 -1.181 20 0 CAADMP CNC(=O)C[NH2+]C1(CNC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001367990243 887447338 /nfs/dbraw/zinc/44/73/38/887447338.db2.gz IMVLWYQISZFOTA-SNVBAGLBSA-N 2 1 284.360 -1.699 20 0 CAADMP CNC(=O)C[NH2+]C1(CNC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001367990243 887447347 /nfs/dbraw/zinc/44/73/47/887447347.db2.gz IMVLWYQISZFOTA-SNVBAGLBSA-N 2 1 284.360 -1.699 20 0 CAADMP CNC(=O)[C@H](C)[NH2+]C1(CNC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001367988325 887447366 /nfs/dbraw/zinc/44/73/66/887447366.db2.gz BNAVTBYRFPSGIF-WDEREUQCSA-N 2 1 298.387 -1.310 20 0 CAADMP CNC(=O)[C@H](C)[NH2+]C1(CNC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001367988325 887447371 /nfs/dbraw/zinc/44/73/71/887447371.db2.gz BNAVTBYRFPSGIF-WDEREUQCSA-N 2 1 298.387 -1.310 20 0 CAADMP CC[N@@H+]1CCO[C@@H](C(=O)NCC2([NH2+][C@@H](C)C(N)=O)CC2)C1 ZINC001368046005 887449916 /nfs/dbraw/zinc/44/99/16/887449916.db2.gz ISYLJLVQIQLCOJ-WDEREUQCSA-N 2 1 298.387 -1.181 20 0 CAADMP CC[N@H+]1CCO[C@@H](C(=O)NCC2([NH2+][C@@H](C)C(N)=O)CC2)C1 ZINC001368046005 887449925 /nfs/dbraw/zinc/44/99/25/887449925.db2.gz ISYLJLVQIQLCOJ-WDEREUQCSA-N 2 1 298.387 -1.181 20 0 CAADMP C[NH+](C)CCCC(=O)NC[C@@]1(O)CC[N@@H+](CCO)C1 ZINC001368266664 887467229 /nfs/dbraw/zinc/46/72/29/887467229.db2.gz VBUUIVUXTFZIJP-ZDUSSCGKSA-N 2 1 273.377 -1.127 20 0 CAADMP O=C(C[NH+]1CCCC1)NC[C@]1(O)CC[N@H+](CCO)C1 ZINC001368290371 887470140 /nfs/dbraw/zinc/47/01/40/887470140.db2.gz UOPNDYKZNHZYKF-CYBMUJFWSA-N 2 1 271.361 -1.373 20 0 CAADMP C[C@H]([NH2+]CCN(CCO)C(=O)[C@H]1CCC[N@H+]1C)C(N)=O ZINC001368398817 887486878 /nfs/dbraw/zinc/48/68/78/887486878.db2.gz PWSQPSJKAYVNPN-WDEREUQCSA-N 2 1 286.376 -1.635 20 0 CAADMP C[N@H+]1CC[C@H](C(=O)NC2(CO)CC[NH+](CCO)CC2)C1 ZINC001368782073 887500437 /nfs/dbraw/zinc/50/04/37/887500437.db2.gz ZOETVPXTSZOAGA-LBPRGKRZSA-N 2 1 285.388 -1.127 20 0 CAADMP CC[C@H](C(=O)NC[C@H](CO)[NH2+]Cc1cnnn1C)[NH+](C)C ZINC001369335899 887547289 /nfs/dbraw/zinc/54/72/89/887547289.db2.gz XWYYEEPDTQSQOM-ZYHUDNBSSA-N 2 1 298.391 -1.278 20 0 CAADMP CC(C)[N@@H+](C)CC(=O)NC[C@H](CO)[NH2+][C@H](C)C(N)=O ZINC001369371413 887561898 /nfs/dbraw/zinc/56/18/98/887561898.db2.gz GUIDXSBZKWYDPZ-NXEZZACHSA-N 2 1 274.365 -1.733 20 0 CAADMP Cn1nnnc1C[NH2+][C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001370393630 887605729 /nfs/dbraw/zinc/60/57/29/887605729.db2.gz HQPUOYUHDDVEJS-JTQLQIEISA-N 2 1 281.364 -1.148 20 0 CAADMP C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001370502377 887611767 /nfs/dbraw/zinc/61/17/67/887611767.db2.gz TZIDTJBJGVIYQV-OPRDCNLKSA-N 2 1 297.359 -1.488 20 0 CAADMP Cc1c[nH+]cn1CC(=O)NC[C@@H](C)[NH2+]CC(=O)NC(N)=O ZINC001371296824 887654845 /nfs/dbraw/zinc/65/48/45/887654845.db2.gz DOZKVJXDSMWVAB-MRVPVSSYSA-N 2 1 296.331 -1.519 20 0 CAADMP COC[C@@H](O)C[N@@H+](C)CCNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001371938733 887679213 /nfs/dbraw/zinc/67/92/13/887679213.db2.gz IFFDNJIHRBIYOB-NWDGAFQWSA-N 2 1 289.376 -1.628 20 0 CAADMP COC[C@@H](O)C[N@H+](C)CCNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001371938733 887679212 /nfs/dbraw/zinc/67/92/12/887679212.db2.gz IFFDNJIHRBIYOB-NWDGAFQWSA-N 2 1 289.376 -1.628 20 0 CAADMP C[NH+](C)CCC(=O)NC[C@H]1CCC[N@@H+]1CC(=O)NC(N)=O ZINC001372539956 887700973 /nfs/dbraw/zinc/70/09/73/887700973.db2.gz CXJBUGYETNKTON-SNVBAGLBSA-N 2 1 299.375 -1.286 20 0 CAADMP C[NH+](C)CCC(=O)NC[C@H]1CCC[N@H+]1CC(=O)NC(N)=O ZINC001372539956 887700982 /nfs/dbraw/zinc/70/09/82/887700982.db2.gz CXJBUGYETNKTON-SNVBAGLBSA-N 2 1 299.375 -1.286 20 0 CAADMP C[N@@H+]1CCO[C@H](C(=O)NCC[C@@H]2CC[NH+](CC(N)=O)C2)C1 ZINC001373145254 887728722 /nfs/dbraw/zinc/72/87/22/887728722.db2.gz BWXGBEWSOCZRTB-NEPJUHHUSA-N 2 1 298.387 -1.370 20 0 CAADMP C[N@H+]1CCO[C@H](C(=O)NCC[C@@H]2CC[NH+](CC(N)=O)C2)C1 ZINC001373145254 887728732 /nfs/dbraw/zinc/72/87/32/887728732.db2.gz BWXGBEWSOCZRTB-NEPJUHHUSA-N 2 1 298.387 -1.370 20 0 CAADMP C[NH+]1CCO[C@H](C(=O)NCC[C@@H]2CC[N@H+](CC(N)=O)C2)C1 ZINC001373145254 887728743 /nfs/dbraw/zinc/72/87/43/887728743.db2.gz BWXGBEWSOCZRTB-NEPJUHHUSA-N 2 1 298.387 -1.370 20 0 CAADMP C[NH+]1CCO[C@H](C(=O)NCC[C@@H]2CC[N@@H+](CC(N)=O)C2)C1 ZINC001373145254 887728758 /nfs/dbraw/zinc/72/87/58/887728758.db2.gz BWXGBEWSOCZRTB-NEPJUHHUSA-N 2 1 298.387 -1.370 20 0 CAADMP C[N@@H+]1CCO[C@@H](C(=O)NCC[C@H]2CC[NH+](CC(N)=O)C2)C1 ZINC001373145255 887729007 /nfs/dbraw/zinc/72/90/07/887729007.db2.gz BWXGBEWSOCZRTB-NWDGAFQWSA-N 2 1 298.387 -1.370 20 0 CAADMP C[N@H+]1CCO[C@@H](C(=O)NCC[C@H]2CC[NH+](CC(N)=O)C2)C1 ZINC001373145255 887729022 /nfs/dbraw/zinc/72/90/22/887729022.db2.gz BWXGBEWSOCZRTB-NWDGAFQWSA-N 2 1 298.387 -1.370 20 0 CAADMP C[NH+]1CCO[C@@H](C(=O)NCC[C@H]2CC[N@H+](CC(N)=O)C2)C1 ZINC001373145255 887729037 /nfs/dbraw/zinc/72/90/37/887729037.db2.gz BWXGBEWSOCZRTB-NWDGAFQWSA-N 2 1 298.387 -1.370 20 0 CAADMP C[NH+]1CCO[C@@H](C(=O)NCC[C@H]2CC[N@@H+](CC(N)=O)C2)C1 ZINC001373145255 887729047 /nfs/dbraw/zinc/72/90/47/887729047.db2.gz BWXGBEWSOCZRTB-NWDGAFQWSA-N 2 1 298.387 -1.370 20 0 CAADMP C[N@@H+]1CCO[C@H](C(=O)NCC[C@H]2CC[NH+](CC(N)=O)C2)C1 ZINC001373145256 887729691 /nfs/dbraw/zinc/72/96/91/887729691.db2.gz BWXGBEWSOCZRTB-RYUDHWBXSA-N 2 1 298.387 -1.370 20 0 CAADMP C[N@H+]1CCO[C@H](C(=O)NCC[C@H]2CC[NH+](CC(N)=O)C2)C1 ZINC001373145256 887729702 /nfs/dbraw/zinc/72/97/02/887729702.db2.gz BWXGBEWSOCZRTB-RYUDHWBXSA-N 2 1 298.387 -1.370 20 0 CAADMP C[NH+]1CCO[C@H](C(=O)NCC[C@H]2CC[N@H+](CC(N)=O)C2)C1 ZINC001373145256 887729717 /nfs/dbraw/zinc/72/97/17/887729717.db2.gz BWXGBEWSOCZRTB-RYUDHWBXSA-N 2 1 298.387 -1.370 20 0 CAADMP C[NH+]1CCO[C@H](C(=O)NCC[C@H]2CC[N@@H+](CC(N)=O)C2)C1 ZINC001373145256 887729729 /nfs/dbraw/zinc/72/97/29/887729729.db2.gz BWXGBEWSOCZRTB-RYUDHWBXSA-N 2 1 298.387 -1.370 20 0 CAADMP C[C@@H](C(=O)NC(N)=O)[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001373601539 887755668 /nfs/dbraw/zinc/75/56/68/887755668.db2.gz QJIWWCMFQLZXQK-UWVGGRQHSA-N 2 1 299.375 -1.288 20 0 CAADMP C[C@@H](C(=O)NC(N)=O)[N@H+]1CC[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001373601539 887755678 /nfs/dbraw/zinc/75/56/78/887755678.db2.gz QJIWWCMFQLZXQK-UWVGGRQHSA-N 2 1 299.375 -1.288 20 0 CAADMP C[C@@H](CNC(=O)[C@H]1CCC[N@H+]1C)C[NH2+]CC(=O)NC(N)=O ZINC001374058011 887774014 /nfs/dbraw/zinc/77/40/14/887774014.db2.gz WLAWBVFENKHQJI-NXEZZACHSA-N 2 1 299.375 -1.383 20 0 CAADMP C[C@H](CNC(=O)[C@H]1CCC[N@H+]1C)C[NH2+]CC(=O)NC(N)=O ZINC001374058016 887774801 /nfs/dbraw/zinc/77/48/01/887774801.db2.gz WLAWBVFENKHQJI-VHSXEESVSA-N 2 1 299.375 -1.383 20 0 CAADMP C[C@H](C[NH2+]CC(=O)NC(N)=O)N(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001374323464 887784316 /nfs/dbraw/zinc/78/43/16/887784316.db2.gz BREGLWZDMVQJBL-ZJUUUORDSA-N 2 1 299.375 -1.431 20 0 CAADMP C[C@H](C[NH2+]CC(=O)NC(N)=O)N(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001374323459 887786832 /nfs/dbraw/zinc/78/68/32/887786832.db2.gz BREGLWZDMVQJBL-NXEZZACHSA-N 2 1 299.375 -1.431 20 0 CAADMP Cn1nncc1C[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001374592161 887803121 /nfs/dbraw/zinc/80/31/21/887803121.db2.gz UCFAAJOLQQDLIQ-RYUDHWBXSA-N 2 1 296.375 -1.524 20 0 CAADMP Cn1cc(C[NH2+]C[C@@H](O)CNC(=O)[C@@H]2CCC[N@@H+]2C)nn1 ZINC001374592331 887805708 /nfs/dbraw/zinc/80/57/08/887805708.db2.gz UOUQXSMJEKPQKZ-NEPJUHHUSA-N 2 1 296.375 -1.524 20 0 CAADMP Cn1cc(C[NH2+]C[C@@H](O)CNC(=O)[C@@H]2CCC[N@H+]2C)nn1 ZINC001374592331 887805720 /nfs/dbraw/zinc/80/57/20/887805720.db2.gz UOUQXSMJEKPQKZ-NEPJUHHUSA-N 2 1 296.375 -1.524 20 0 CAADMP Cn1cnnc1C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001374592137 887805887 /nfs/dbraw/zinc/80/58/87/887805887.db2.gz UBYCTEKONIKRIW-MNOVXSKESA-N 2 1 296.375 -1.524 20 0 CAADMP Cn1cnnc1C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001374592137 887805899 /nfs/dbraw/zinc/80/58/99/887805899.db2.gz UBYCTEKONIKRIW-MNOVXSKESA-N 2 1 296.375 -1.524 20 0 CAADMP Cn1ncnc1C[NH2+]C[C@H](O)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001374636290 887819746 /nfs/dbraw/zinc/81/97/46/887819746.db2.gz ZIDXBFBRSLMNDT-WDEREUQCSA-N 2 1 296.375 -1.524 20 0 CAADMP Cn1ncnc1C[NH2+]C[C@H](O)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001374636290 887819763 /nfs/dbraw/zinc/81/97/63/887819763.db2.gz ZIDXBFBRSLMNDT-WDEREUQCSA-N 2 1 296.375 -1.524 20 0 CAADMP Cn1ncc(C[NH2+]C[C@H](O)CNC(=O)[C@@H]2CC[N@H+](C)C2)n1 ZINC001374679315 887831057 /nfs/dbraw/zinc/83/10/57/887831057.db2.gz XOXDJMBCVIREMS-PWSUYJOCSA-N 2 1 296.375 -1.667 20 0 CAADMP Cn1ncc(C[NH2+]C[C@H](O)CNC(=O)[C@@H]2CC[N@@H+](C)C2)n1 ZINC001374679315 887831068 /nfs/dbraw/zinc/83/10/68/887831068.db2.gz XOXDJMBCVIREMS-PWSUYJOCSA-N 2 1 296.375 -1.667 20 0 CAADMP Cn1ncc(C[NH2+]C[C@@H](O)CNC(=O)[C@H]2CC[N@H+](C)C2)n1 ZINC001374679275 887832922 /nfs/dbraw/zinc/83/29/22/887832922.db2.gz XOXDJMBCVIREMS-CMPLNLGQSA-N 2 1 296.375 -1.667 20 0 CAADMP Cn1ncc(C[NH2+]C[C@@H](O)CNC(=O)[C@H]2CC[N@@H+](C)C2)n1 ZINC001374679275 887832937 /nfs/dbraw/zinc/83/29/37/887832937.db2.gz XOXDJMBCVIREMS-CMPLNLGQSA-N 2 1 296.375 -1.667 20 0 CAADMP C[C@H](C[NH2+]CC(=O)NC(N)=O)NC(=O)[C@H]1CCC[N@H+]1C ZINC001374738453 887839314 /nfs/dbraw/zinc/83/93/14/887839314.db2.gz QLUXDXXYSKWPHO-RKDXNWHRSA-N 2 1 285.348 -1.630 20 0 CAADMP C[C@@H](C[NH2+]Cc1nnnn1C)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001374873084 887847298 /nfs/dbraw/zinc/84/72/98/887847298.db2.gz MAVYWXPCWCAPGZ-UWVGGRQHSA-N 2 1 281.364 -1.101 20 0 CAADMP C[C@@H](C[NH2+]Cc1nnnn1C)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001374873084 887847308 /nfs/dbraw/zinc/84/73/08/887847308.db2.gz MAVYWXPCWCAPGZ-UWVGGRQHSA-N 2 1 281.364 -1.101 20 0 CAADMP C[C@@H](C[NH2+]Cc1nnnn1C)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001374873085 887849155 /nfs/dbraw/zinc/84/91/55/887849155.db2.gz MAVYWXPCWCAPGZ-VHSXEESVSA-N 2 1 281.364 -1.101 20 0 CAADMP C[C@@H](C[NH2+]Cc1nnnn1C)NC(=O)[C@H]1CCC[N@H+]1C ZINC001374873085 887849163 /nfs/dbraw/zinc/84/91/63/887849163.db2.gz MAVYWXPCWCAPGZ-VHSXEESVSA-N 2 1 281.364 -1.101 20 0 CAADMP C[C@@H]1[C@H](C(=O)NC[C@]2(O)CC[NH+](CC(N)=O)C2)CC[N@@H+]1C ZINC001376029762 887897819 /nfs/dbraw/zinc/89/78/19/887897819.db2.gz CAEYOCIAAJNLRN-JTNHKYCSSA-N 2 1 298.387 -1.635 20 0 CAADMP C[C@@H]1[C@H](C(=O)NC[C@]2(O)CC[NH+](CC(N)=O)C2)CC[N@H+]1C ZINC001376029762 887897829 /nfs/dbraw/zinc/89/78/29/887897829.db2.gz CAEYOCIAAJNLRN-JTNHKYCSSA-N 2 1 298.387 -1.635 20 0 CAADMP C[C@@H]1[C@H](C(=O)NC[C@]2(O)CC[N@H+](CC(N)=O)C2)CC[NH+]1C ZINC001376029762 887897840 /nfs/dbraw/zinc/89/78/40/887897840.db2.gz CAEYOCIAAJNLRN-JTNHKYCSSA-N 2 1 298.387 -1.635 20 0 CAADMP C[C@@H]1[C@H](C(=O)NC[C@]2(O)CC[N@@H+](CC(N)=O)C2)CC[NH+]1C ZINC001376029762 887897850 /nfs/dbraw/zinc/89/78/50/887897850.db2.gz CAEYOCIAAJNLRN-JTNHKYCSSA-N 2 1 298.387 -1.635 20 0 CAADMP C[N@H+]1CCC[C@@H]1C(=O)NCCN1CC[NH+](CCO)CC1 ZINC001376089055 887903191 /nfs/dbraw/zinc/90/31/91/887903191.db2.gz JTLBYUKTYMEFRL-CYBMUJFWSA-N 2 1 284.404 -1.193 20 0 CAADMP C[N@H+]1CC[C@@H](C(=O)NC[C@]2(O)CC[NH+](CCO)C2)C1 ZINC001376100068 887904007 /nfs/dbraw/zinc/90/40/07/887904007.db2.gz SOJQLBGZWUBYBZ-DGCLKSJQSA-N 2 1 271.361 -1.517 20 0 CAADMP C[NH+]1CC[C@@H](C(=O)NC[C@]2(O)CC[N@H+](CCO)C2)C1 ZINC001376100068 887904017 /nfs/dbraw/zinc/90/40/17/887904017.db2.gz SOJQLBGZWUBYBZ-DGCLKSJQSA-N 2 1 271.361 -1.517 20 0 CAADMP C[NH+]1CC[C@@H](C(=O)NC[C@]2(O)CC[N@@H+](CCO)C2)C1 ZINC001376100068 887904027 /nfs/dbraw/zinc/90/40/27/887904027.db2.gz SOJQLBGZWUBYBZ-DGCLKSJQSA-N 2 1 271.361 -1.517 20 0 CAADMP C[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001376368894 887923695 /nfs/dbraw/zinc/92/36/95/887923695.db2.gz TZIDTJBJGVIYQV-GUBZILKMSA-N 2 1 297.359 -1.488 20 0 CAADMP C[C@H]([NH2+][C@H]1C[C@H](NC(=O)CC[NH+]2CCOCC2)C1)C(N)=O ZINC001376402911 887923831 /nfs/dbraw/zinc/92/38/31/887923831.db2.gz ZHXGBGVKBSNYKP-SRVKXCTJSA-N 2 1 298.387 -1.181 20 0 CAADMP CCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001376443248 887927881 /nfs/dbraw/zinc/92/78/81/887927881.db2.gz QPADRVMJHCFUTE-GRYCIOLGSA-N 2 1 298.387 -1.310 20 0 CAADMP CCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001376443248 887927886 /nfs/dbraw/zinc/92/78/86/887927886.db2.gz QPADRVMJHCFUTE-GRYCIOLGSA-N 2 1 298.387 -1.310 20 0 CAADMP C[C@@H](CNC(=O)C[N@@H+](C)C1CCC1)[NH2+]CC(=O)NC(N)=O ZINC001376746196 887957079 /nfs/dbraw/zinc/95/70/79/887957079.db2.gz ZYKDAOVXKQYNLE-VIFPVBQESA-N 2 1 299.375 -1.240 20 0 CAADMP C[C@H](CNC(=O)C[N@@H+](C)C1CCC1)[NH2+]CC(=O)NC(N)=O ZINC001376746195 887957198 /nfs/dbraw/zinc/95/71/98/887957198.db2.gz ZYKDAOVXKQYNLE-SECBINFHSA-N 2 1 299.375 -1.240 20 0 CAADMP CNC(=O)C[NH2+][C@@H](C)CCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001377022745 887973135 /nfs/dbraw/zinc/97/31/35/887973135.db2.gz JUWMUFVJNITXER-WDEREUQCSA-N 2 1 286.376 -1.453 20 0 CAADMP CNC(=O)C[NH2+][C@@H](C)CCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001377022745 887973145 /nfs/dbraw/zinc/97/31/45/887973145.db2.gz JUWMUFVJNITXER-WDEREUQCSA-N 2 1 286.376 -1.453 20 0 CAADMP CNC(=O)C[NH2+][C@@H](C)CCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001377022742 887973303 /nfs/dbraw/zinc/97/33/03/887973303.db2.gz JUWMUFVJNITXER-QWRGUYRKSA-N 2 1 286.376 -1.453 20 0 CAADMP CNC(=O)C[NH2+][C@@H](C)CCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001377022742 887973312 /nfs/dbraw/zinc/97/33/12/887973312.db2.gz JUWMUFVJNITXER-QWRGUYRKSA-N 2 1 286.376 -1.453 20 0 CAADMP CC[N@@H+]1CCO[C@@H](C(=O)NCC[C@H](C)[NH2+]CC(N)=O)C1 ZINC001377102550 887975659 /nfs/dbraw/zinc/97/56/59/887975659.db2.gz AKWMTDGVWAAVDT-WDEREUQCSA-N 2 1 286.376 -1.323 20 0 CAADMP CC[N@H+]1CCO[C@@H](C(=O)NCC[C@H](C)[NH2+]CC(N)=O)C1 ZINC001377102550 887975670 /nfs/dbraw/zinc/97/56/70/887975670.db2.gz AKWMTDGVWAAVDT-WDEREUQCSA-N 2 1 286.376 -1.323 20 0 CAADMP C[C@H](C(=O)NC(N)=O)[N@H+](C)CCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001377262850 887985132 /nfs/dbraw/zinc/98/51/32/887985132.db2.gz ZNZDCAWLLNIEQX-ZJUUUORDSA-N 2 1 299.375 -1.431 20 0 CAADMP C[C@H](C(=O)NC(N)=O)[N@@H+](C)CCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001377262850 887985139 /nfs/dbraw/zinc/98/51/39/887985139.db2.gz ZNZDCAWLLNIEQX-ZJUUUORDSA-N 2 1 299.375 -1.431 20 0 CAADMP C[C@H](C(=O)NC(N)=O)[NH+](C)CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001377262850 887985147 /nfs/dbraw/zinc/98/51/47/887985147.db2.gz ZNZDCAWLLNIEQX-ZJUUUORDSA-N 2 1 299.375 -1.431 20 0 CAADMP C[C@H](C(=O)NC(N)=O)[NH+](C)CCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001377262850 887985152 /nfs/dbraw/zinc/98/51/52/887985152.db2.gz ZNZDCAWLLNIEQX-ZJUUUORDSA-N 2 1 299.375 -1.431 20 0 CAADMP C[C@H](C(=O)NC(N)=O)[N@H+](C)CCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001377262841 887985739 /nfs/dbraw/zinc/98/57/39/887985739.db2.gz ZNZDCAWLLNIEQX-NXEZZACHSA-N 2 1 299.375 -1.431 20 0 CAADMP C[C@H](C(=O)NC(N)=O)[N@@H+](C)CCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001377262841 887985747 /nfs/dbraw/zinc/98/57/47/887985747.db2.gz ZNZDCAWLLNIEQX-NXEZZACHSA-N 2 1 299.375 -1.431 20 0 CAADMP C[C@H](C(=O)NC(N)=O)[NH+](C)CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001377262841 887985759 /nfs/dbraw/zinc/98/57/59/887985759.db2.gz ZNZDCAWLLNIEQX-NXEZZACHSA-N 2 1 299.375 -1.431 20 0 CAADMP C[C@H](C(=O)NC(N)=O)[NH+](C)CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001377262841 887985770 /nfs/dbraw/zinc/98/57/70/887985770.db2.gz ZNZDCAWLLNIEQX-NXEZZACHSA-N 2 1 299.375 -1.431 20 0 CAADMP COC[C@@H](O)C[N@@H+](C)CCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001377259917 887987990 /nfs/dbraw/zinc/98/79/90/887987990.db2.gz FQTODKCVTOEKFS-NEPJUHHUSA-N 2 1 273.377 -1.007 20 0 CAADMP COC[C@@H](O)C[NH+](C)CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001377259917 887987996 /nfs/dbraw/zinc/98/79/96/887987996.db2.gz FQTODKCVTOEKFS-NEPJUHHUSA-N 2 1 273.377 -1.007 20 0 CAADMP COC[C@@H](O)C[NH+](C)CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001377259917 887988001 /nfs/dbraw/zinc/98/80/01/887988001.db2.gz FQTODKCVTOEKFS-NEPJUHHUSA-N 2 1 273.377 -1.007 20 0 CAADMP CC[N@@H+]1CCO[C@@H](C(=O)NC2CC(C[NH2+]CC(N)=O)C2)C1 ZINC001377733024 888008846 /nfs/dbraw/zinc/00/88/46/888008846.db2.gz HZMMMURBUPBQNX-HTAVTVPLSA-N 2 1 298.387 -1.323 20 0 CAADMP CC[N@H+]1CCO[C@@H](C(=O)NC2CC(C[NH2+]CC(N)=O)C2)C1 ZINC001377733024 888008855 /nfs/dbraw/zinc/00/88/55/888008855.db2.gz HZMMMURBUPBQNX-HTAVTVPLSA-N 2 1 298.387 -1.323 20 0 CAADMP C[N@@H+]1CCO[C@@H](C(=O)NC[C@H](O)C[NH2+]CC(N)=O)C1 ZINC001379173720 888094050 /nfs/dbraw/zinc/09/40/50/888094050.db2.gz AAMOCLVKEINPJQ-RKDXNWHRSA-N 2 1 274.321 -3.131 20 0 CAADMP C[N@H+]1CCO[C@@H](C(=O)NC[C@H](O)C[NH2+]CC(N)=O)C1 ZINC001379173720 888094063 /nfs/dbraw/zinc/09/40/63/888094063.db2.gz AAMOCLVKEINPJQ-RKDXNWHRSA-N 2 1 274.321 -3.131 20 0 CAADMP Cc1[nH+]ccn1CC(=O)NC[C@H](O)C[NH2+][C@H](C)C(N)=O ZINC001379290068 888117205 /nfs/dbraw/zinc/11/72/05/888117205.db2.gz QNCQVYNBLDDYFJ-PSASIEDQSA-N 2 1 283.332 -1.868 20 0 CAADMP CNC(=O)C[NH2+]C[C@H](O)CNC(=O)Cn1cc[nH+]c1C ZINC001379283451 888117963 /nfs/dbraw/zinc/11/79/63/888117963.db2.gz HZJMUMLNMLRSTP-JTQLQIEISA-N 2 1 283.332 -1.996 20 0 CAADMP Cc1[nH+]ccn1CC(=O)NC[C@H](O)C[NH2+][C@H]1CCNC1=O ZINC001379283108 888118936 /nfs/dbraw/zinc/11/89/36/888118936.db2.gz GMKBOIKEFJYGPE-MNOVXSKESA-N 2 1 295.343 -1.853 20 0 CAADMP C[N@H+]1CC[C@H](C(=O)NC[C@H](O)C[NH2+]CC(=O)N2CCC2)C1 ZINC001379289004 888119420 /nfs/dbraw/zinc/11/94/20/888119420.db2.gz NOKPRJIZFBJPAX-NWDGAFQWSA-N 2 1 298.387 -1.763 20 0 CAADMP Cc1[nH+]ccn1CC(=O)NC[C@@H](O)C[NH2+][C@H](C)C(N)=O ZINC001379290071 888119441 /nfs/dbraw/zinc/11/94/41/888119441.db2.gz QNCQVYNBLDDYFJ-SCZZXKLOSA-N 2 1 283.332 -1.868 20 0 CAADMP Cc1[nH+]ccn1CC(=O)NC[C@@H](O)C[NH2+][C@@H]1CCNC1=O ZINC001379283122 888119452 /nfs/dbraw/zinc/11/94/52/888119452.db2.gz GMKBOIKEFJYGPE-WDEREUQCSA-N 2 1 295.343 -1.853 20 0 CAADMP Cn1nccc1C[NH2+]C[C@H](O)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001379293609 888122080 /nfs/dbraw/zinc/12/20/80/888122080.db2.gz XEJSCHPHKBVTSO-YPMHNXCESA-N 2 1 295.387 -1.062 20 0 CAADMP Cn1nccc1C[NH2+]C[C@@H](O)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001379293607 888123086 /nfs/dbraw/zinc/12/30/86/888123086.db2.gz XEJSCHPHKBVTSO-WCQYABFASA-N 2 1 295.387 -1.062 20 0 CAADMP C[C@H](C[NH2+]CC(=O)NC(N)=O)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001379383594 888134758 /nfs/dbraw/zinc/13/47/58/888134758.db2.gz BFTNUHZCYFPVAM-ZJUUUORDSA-N 2 1 299.375 -1.240 20 0 CAADMP CC[C@@H]1[C@@H](C(=O)NC[C@H](CO)[NH2+]CCO)CC[N@H+]1C ZINC001379392243 888135508 /nfs/dbraw/zinc/13/55/08/888135508.db2.gz BYQPJWYWLIUEJL-GRYCIOLGSA-N 2 1 273.377 -1.224 20 0 CAADMP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](CO)[NH2+]CC(N)=O ZINC001379411104 888139879 /nfs/dbraw/zinc/13/98/79/888139879.db2.gz LEKWPHDVHOIFRF-MNOVXSKESA-N 2 1 286.376 -1.587 20 0 CAADMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@H](CO)[NH2+]CC(N)=O ZINC001379411104 888139890 /nfs/dbraw/zinc/13/98/90/888139890.db2.gz LEKWPHDVHOIFRF-MNOVXSKESA-N 2 1 286.376 -1.587 20 0 CAADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@H](CO)[NH2+]CCO ZINC001379409750 888140369 /nfs/dbraw/zinc/14/03/69/888140369.db2.gz XFYGRVIEFLBZJM-NEPJUHHUSA-N 2 1 273.377 -1.082 20 0 CAADMP C[C@H]([NH2+][C@@H](CO)CNC(=O)C[N@@H+](C)C1CCC1)C(N)=O ZINC001379406669 888140663 /nfs/dbraw/zinc/14/06/63/888140663.db2.gz ALCNNGSVYMZEPJ-VHSXEESVSA-N 2 1 286.376 -1.589 20 0 CAADMP C[C@H]([NH2+][C@H](CO)CNC(=O)C[N@@H+](C)C1CCC1)C(N)=O ZINC001379406668 888141453 /nfs/dbraw/zinc/14/14/53/888141453.db2.gz ALCNNGSVYMZEPJ-UWVGGRQHSA-N 2 1 286.376 -1.589 20 0 CAADMP COC[C@H](O)C[NH2+]C[C@H](C)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001379490210 888153322 /nfs/dbraw/zinc/15/33/22/888153322.db2.gz DRCQFEWMPKGGKG-TUAOUCFPSA-N 2 1 289.376 -1.581 20 0 CAADMP COC[C@H](O)C[NH2+]C[C@H](C)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001379490210 888153328 /nfs/dbraw/zinc/15/33/28/888153328.db2.gz DRCQFEWMPKGGKG-TUAOUCFPSA-N 2 1 289.376 -1.581 20 0 CAADMP CNC(=O)[C@@H](C)[NH2+][C@@H](CO)CNC(=O)C[N@@H+](C)C(C)C ZINC001379526652 888160561 /nfs/dbraw/zinc/16/05/61/888160561.db2.gz RCLYTIKMZGSVMV-GHMZBOCLSA-N 2 1 288.392 -1.472 20 0 CAADMP C[C@@H](C[NH2+]CC(=O)NC(N)=O)NC(=O)[C@H]1CCCC[N@H+]1C ZINC001379517652 888161029 /nfs/dbraw/zinc/16/10/29/888161029.db2.gz BFTNUHZCYFPVAM-VHSXEESVSA-N 2 1 299.375 -1.240 20 0 CAADMP Cc1[nH+]ccn1CC(=O)NC[C@@H](CO)[NH2+][C@@H](C)C(N)=O ZINC001379531564 888165025 /nfs/dbraw/zinc/16/50/25/888165025.db2.gz WKGQPYUQCCKHGO-WPRPVWTQSA-N 2 1 283.332 -1.868 20 0 CAADMP C[C@@H](C[N@H+](C)CC(=O)NC(N)=O)NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001379777206 888173599 /nfs/dbraw/zinc/17/35/99/888173599.db2.gz BWAINPCFUQRCJW-VHSXEESVSA-N 2 1 299.375 -1.431 20 0 CAADMP C[C@@H](C[N@@H+](C)CC(=O)NC(N)=O)NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001379777206 888173603 /nfs/dbraw/zinc/17/36/03/888173603.db2.gz BWAINPCFUQRCJW-VHSXEESVSA-N 2 1 299.375 -1.431 20 0 CAADMP C[C@@H](C[NH+](C)CC(=O)NC(N)=O)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001379777206 888173607 /nfs/dbraw/zinc/17/36/07/888173607.db2.gz BWAINPCFUQRCJW-VHSXEESVSA-N 2 1 299.375 -1.431 20 0 CAADMP C[C@@H](C[NH+](C)CC(=O)NC(N)=O)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001379777206 888173608 /nfs/dbraw/zinc/17/36/08/888173608.db2.gz BWAINPCFUQRCJW-VHSXEESVSA-N 2 1 299.375 -1.431 20 0 CAADMP C[C@H](C[NH+](C)CC(=O)NC(N)=O)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001379776891 888173782 /nfs/dbraw/zinc/17/37/82/888173782.db2.gz BWAINPCFUQRCJW-NXEZZACHSA-N 2 1 299.375 -1.431 20 0 CAADMP C[C@H](C[N@H+](C)CC(=O)NC(N)=O)NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001379776891 888173777 /nfs/dbraw/zinc/17/37/77/888173777.db2.gz BWAINPCFUQRCJW-NXEZZACHSA-N 2 1 299.375 -1.431 20 0 CAADMP C[C@H](C[N@@H+](C)CC(=O)NC(N)=O)NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001379776891 888173779 /nfs/dbraw/zinc/17/37/79/888173779.db2.gz BWAINPCFUQRCJW-NXEZZACHSA-N 2 1 299.375 -1.431 20 0 CAADMP C[C@H](C[NH+](C)CC(=O)NC(N)=O)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001379776891 888173787 /nfs/dbraw/zinc/17/37/87/888173787.db2.gz BWAINPCFUQRCJW-NXEZZACHSA-N 2 1 299.375 -1.431 20 0 CAADMP C[N@@H+]1CCO[C@H](C(=O)NCC2([NH2+][C@H]3CCNC3=O)CC2)C1 ZINC001380065234 888190858 /nfs/dbraw/zinc/19/08/58/888190858.db2.gz TUPZLEFHHTVNQS-QWRGUYRKSA-N 2 1 296.371 -1.556 20 0 CAADMP C[N@H+]1CCO[C@H](C(=O)NCC2([NH2+][C@H]3CCNC3=O)CC2)C1 ZINC001380065234 888190862 /nfs/dbraw/zinc/19/08/62/888190862.db2.gz TUPZLEFHHTVNQS-QWRGUYRKSA-N 2 1 296.371 -1.556 20 0 CAADMP C[N@@H+]1CCO[C@@H](C(=O)NCC2([NH2+][C@H]3CCNC3=O)CC2)C1 ZINC001380065236 888191981 /nfs/dbraw/zinc/19/19/81/888191981.db2.gz TUPZLEFHHTVNQS-WDEREUQCSA-N 2 1 296.371 -1.556 20 0 CAADMP C[N@H+]1CCO[C@@H](C(=O)NCC2([NH2+][C@H]3CCNC3=O)CC2)C1 ZINC001380065236 888191987 /nfs/dbraw/zinc/19/19/87/888191987.db2.gz TUPZLEFHHTVNQS-WDEREUQCSA-N 2 1 296.371 -1.556 20 0 CAADMP O=C(CC[NH+]1CCOCC1)NCC1([NH2+]CCO)CC1 ZINC001380148828 888194347 /nfs/dbraw/zinc/19/43/47/888194347.db2.gz HCKZFVYREAOAJJ-UHFFFAOYSA-N 2 1 271.361 -1.061 20 0 CAADMP NC(=O)C[NH2+]C1(CNC(=O)CC[NH+]2CCOCC2)CC1 ZINC001380148058 888195376 /nfs/dbraw/zinc/19/53/76/888195376.db2.gz CBSLAPLQJISUFY-UHFFFAOYSA-N 2 1 284.360 -1.568 20 0 CAADMP C[N@H+](CC(=O)NC[C@]1(O)CC[NH+](CC(N)=O)C1)C1CCC1 ZINC001380534107 888207528 /nfs/dbraw/zinc/20/75/28/888207528.db2.gz KXAZTZIJPOMEDY-CQSZACIVSA-N 2 1 298.387 -1.491 20 0 CAADMP C[N@@H+](CC(=O)NC[C@]1(O)CC[NH+](CC(N)=O)C1)C1CCC1 ZINC001380534107 888207542 /nfs/dbraw/zinc/20/75/42/888207542.db2.gz KXAZTZIJPOMEDY-CQSZACIVSA-N 2 1 298.387 -1.491 20 0 CAADMP C[NH+](CC(=O)NC[C@]1(O)CC[N@H+](CC(N)=O)C1)C1CCC1 ZINC001380534107 888207551 /nfs/dbraw/zinc/20/75/51/888207551.db2.gz KXAZTZIJPOMEDY-CQSZACIVSA-N 2 1 298.387 -1.491 20 0 CAADMP C[NH+](CC(=O)NC[C@]1(O)CC[N@@H+](CC(N)=O)C1)C1CCC1 ZINC001380534107 888207560 /nfs/dbraw/zinc/20/75/60/888207560.db2.gz KXAZTZIJPOMEDY-CQSZACIVSA-N 2 1 298.387 -1.491 20 0 CAADMP C[C@H]([NH2+]CCN(CCO)C(=O)[C@@H]1CCC[N@H+]1C)C(N)=O ZINC001380767036 888232487 /nfs/dbraw/zinc/23/24/87/888232487.db2.gz PWSQPSJKAYVNPN-QWRGUYRKSA-N 2 1 286.376 -1.635 20 0 CAADMP C[C@@H]([NH2+]CCN(CCO)C(=O)[C@@H]1CCC[N@H+]1C)C(N)=O ZINC001380767031 888232862 /nfs/dbraw/zinc/23/28/62/888232862.db2.gz PWSQPSJKAYVNPN-MNOVXSKESA-N 2 1 286.376 -1.635 20 0 CAADMP C[C@@H]1CC[N@@H+](CC(=O)N2CCO[C@H](C[NH2+]CC(N)=O)C2)C1 ZINC001380909279 888234241 /nfs/dbraw/zinc/23/42/41/888234241.db2.gz AZCNLTQKNAZJJA-VXGBXAGGSA-N 2 1 298.387 -1.370 20 0 CAADMP NC(=O)C[NH2+]C1(CNC(=O)CC[NH+]2CCOCC2)CCC1 ZINC001380882931 888234716 /nfs/dbraw/zinc/23/47/16/888234716.db2.gz XDDZAAWHSNGHKN-UHFFFAOYSA-N 2 1 298.387 -1.178 20 0 CAADMP CNC(=O)C[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001382059797 888276815 /nfs/dbraw/zinc/27/68/15/888276815.db2.gz NJGWRXYBGBNUQH-QWRGUYRKSA-N 2 1 286.376 -1.501 20 0 CAADMP CNC(=O)C[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001382059797 888276831 /nfs/dbraw/zinc/27/68/31/888276831.db2.gz NJGWRXYBGBNUQH-QWRGUYRKSA-N 2 1 286.376 -1.501 20 0 CAADMP C[C@H]1C[C@@H](C(=O)NC[C@@H](CO)[NH2+]CC(N)=O)CC[N@H+]1C ZINC001382234904 888306836 /nfs/dbraw/zinc/30/68/36/888306836.db2.gz KNRMPXVNNZLCIM-DCAQKATOSA-N 2 1 286.376 -1.731 20 0 CAADMP C[C@H]1C[C@@H](C(=O)NC[C@H](CO)[NH2+]CC(N)=O)CC[N@H+]1C ZINC001382234905 888309781 /nfs/dbraw/zinc/30/97/81/888309781.db2.gz KNRMPXVNNZLCIM-GARJFASQSA-N 2 1 286.376 -1.731 20 0 CAADMP C[C@H]1CC[N@H+](CC(=O)NC[C@@H](CO)[NH2+]CC(N)=O)C1 ZINC001382243292 888312209 /nfs/dbraw/zinc/31/22/09/888312209.db2.gz FSAHGMWZSFDLKV-UWVGGRQHSA-N 2 1 272.349 -2.120 20 0 CAADMP C[C@H]1CC[N@@H+](CC(=O)NC[C@@H](CO)[NH2+]CC(N)=O)C1 ZINC001382243292 888312221 /nfs/dbraw/zinc/31/22/21/888312221.db2.gz FSAHGMWZSFDLKV-UWVGGRQHSA-N 2 1 272.349 -2.120 20 0 CAADMP C[N@@H+](CC(=O)NC[C@@H](CO)[NH2+]CC(N)=O)CC(C)(C)C ZINC001382258751 888319735 /nfs/dbraw/zinc/31/97/35/888319735.db2.gz YHIPDJBQHCUFEA-JTQLQIEISA-N 2 1 288.392 -1.484 20 0 CAADMP CN(C[C@@H](O)C[N@@H+](C)CCO)C(=O)[C@H]1CCC[NH+]1C ZINC001382470371 888363411 /nfs/dbraw/zinc/36/34/11/888363411.db2.gz DNVPJHKUCHUBOU-NWDGAFQWSA-N 2 1 273.377 -1.176 20 0 CAADMP CN(C[C@@H](O)C[NH+](C)CCO)C(=O)[C@H]1CCC[N@@H+]1C ZINC001382470371 888363421 /nfs/dbraw/zinc/36/34/21/888363421.db2.gz DNVPJHKUCHUBOU-NWDGAFQWSA-N 2 1 273.377 -1.176 20 0 CAADMP CN(C[C@@H](O)C[NH+](C)CCO)C(=O)[C@H]1CCC[N@H+]1C ZINC001382470371 888363431 /nfs/dbraw/zinc/36/34/31/888363431.db2.gz DNVPJHKUCHUBOU-NWDGAFQWSA-N 2 1 273.377 -1.176 20 0 CAADMP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]([NH2+]CC(N)=O)C2CC2)C1 ZINC001389688047 888558287 /nfs/dbraw/zinc/55/82/87/888558287.db2.gz LMIFNXRVTBXTTP-VXGBXAGGSA-N 2 1 298.387 -1.323 20 0 CAADMP CC[N@H+]1CCO[C@@H](C(=O)NC[C@@H]([NH2+]CC(N)=O)C2CC2)C1 ZINC001389688047 888558302 /nfs/dbraw/zinc/55/83/02/888558302.db2.gz LMIFNXRVTBXTTP-VXGBXAGGSA-N 2 1 298.387 -1.323 20 0 CAADMP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@H]([NH2+]CC(N)=O)C2CC2)C1 ZINC001389688037 888558430 /nfs/dbraw/zinc/55/84/30/888558430.db2.gz LMIFNXRVTBXTTP-NWDGAFQWSA-N 2 1 298.387 -1.323 20 0 CAADMP CC[N@H+]1CCO[C@@H](C(=O)NC[C@H]([NH2+]CC(N)=O)C2CC2)C1 ZINC001389688037 888558439 /nfs/dbraw/zinc/55/84/39/888558439.db2.gz LMIFNXRVTBXTTP-NWDGAFQWSA-N 2 1 298.387 -1.323 20 0 CAADMP COC[C@@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[NH+](C)C1 ZINC001390239869 888574960 /nfs/dbraw/zinc/57/49/60/888574960.db2.gz HYNLTZIAFGNEFB-QSLWVIQJSA-N 2 1 297.399 -1.008 20 0 CAADMP COC[C@@H](O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001390239869 888574972 /nfs/dbraw/zinc/57/49/72/888574972.db2.gz HYNLTZIAFGNEFB-QSLWVIQJSA-N 2 1 297.399 -1.008 20 0 CAADMP COC[C@@H](O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001390239869 888574984 /nfs/dbraw/zinc/57/49/84/888574984.db2.gz HYNLTZIAFGNEFB-QSLWVIQJSA-N 2 1 297.399 -1.008 20 0 CAADMP CNC(=O)C[NH2+][C@H](C)CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001390331562 888576062 /nfs/dbraw/zinc/57/60/62/888576062.db2.gz UCCHQBAKVGWIEP-ZJUUUORDSA-N 2 1 272.349 -1.843 20 0 CAADMP CNC(=O)C[NH2+][C@H](C)CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001390331562 888576068 /nfs/dbraw/zinc/57/60/68/888576068.db2.gz UCCHQBAKVGWIEP-ZJUUUORDSA-N 2 1 272.349 -1.843 20 0 CAADMP CNC(=O)C[NH2+][C@H](C)CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001390331536 888577136 /nfs/dbraw/zinc/57/71/36/888577136.db2.gz UCCHQBAKVGWIEP-NXEZZACHSA-N 2 1 272.349 -1.843 20 0 CAADMP CNC(=O)C[NH2+][C@H](C)CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001390331536 888577148 /nfs/dbraw/zinc/57/71/48/888577148.db2.gz UCCHQBAKVGWIEP-NXEZZACHSA-N 2 1 272.349 -1.843 20 0 CAADMP C[C@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)[NH2+]CC(=O)NC1CC1 ZINC001390332110 888578211 /nfs/dbraw/zinc/57/82/11/888578211.db2.gz VNRGTOQXXKMDLC-ZYHUDNBSSA-N 2 1 298.387 -1.310 20 0 CAADMP C[C@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)[NH2+]CC(=O)NC1CC1 ZINC001390332110 888578216 /nfs/dbraw/zinc/57/82/16/888578216.db2.gz VNRGTOQXXKMDLC-ZYHUDNBSSA-N 2 1 298.387 -1.310 20 0 CAADMP C[C@@H](CNC(=O)[C@@H]1CCCC[N@H+]1C)[NH2+]CC(=O)NC(N)=O ZINC001390453516 888580912 /nfs/dbraw/zinc/58/09/12/888580912.db2.gz LYDWDBTYLPDQTI-UWVGGRQHSA-N 2 1 299.375 -1.240 20 0 CAADMP C[C@H](CNC(=O)[C@H]1CCC[N@H+]1C)[NH2+]CC(=O)NC(N)=O ZINC001390464027 888587056 /nfs/dbraw/zinc/58/70/56/888587056.db2.gz XAPDEZQJJBADRO-RKDXNWHRSA-N 2 1 285.348 -1.630 20 0 CAADMP C[C@H](CCNC(=O)[C@H]1C[N@H+](C)CCO1)[NH2+]CC(N)=O ZINC001390662296 888592826 /nfs/dbraw/zinc/59/28/26/888592826.db2.gz YILVWJLWQMAMJD-NXEZZACHSA-N 2 1 272.349 -1.713 20 0 CAADMP C[C@H](CCNC(=O)[C@H]1C[N@@H+](C)CCO1)[NH2+]CC(N)=O ZINC001390662296 888592837 /nfs/dbraw/zinc/59/28/37/888592837.db2.gz YILVWJLWQMAMJD-NXEZZACHSA-N 2 1 272.349 -1.713 20 0 CAADMP CNC(=O)NC(=O)C[N@H+](C)CCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001390860077 888606007 /nfs/dbraw/zinc/60/60/07/888606007.db2.gz KCRDEQDVHATMDN-JTQLQIEISA-N 2 1 299.375 -1.558 20 0 CAADMP CNC(=O)NC(=O)C[N@@H+](C)CCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001390860077 888606014 /nfs/dbraw/zinc/60/60/14/888606014.db2.gz KCRDEQDVHATMDN-JTQLQIEISA-N 2 1 299.375 -1.558 20 0 CAADMP CNC(=O)NC(=O)C[NH+](C)CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001390860077 888606030 /nfs/dbraw/zinc/60/60/30/888606030.db2.gz KCRDEQDVHATMDN-JTQLQIEISA-N 2 1 299.375 -1.558 20 0 CAADMP CNC(=O)NC(=O)C[NH+](C)CCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001390860077 888606045 /nfs/dbraw/zinc/60/60/45/888606045.db2.gz KCRDEQDVHATMDN-JTQLQIEISA-N 2 1 299.375 -1.558 20 0 CAADMP C[C@H]([NH2+]CCN(C)C(=O)CC[NH+]1CCOCC1)C(N)=O ZINC001391214134 888619928 /nfs/dbraw/zinc/61/99/28/888619928.db2.gz OGFBZBLNPAMVKN-NSHDSACASA-N 2 1 286.376 -1.370 20 0 CAADMP CC[N@@H+]1CCO[C@@H](C(=O)N2CCC[C@@H]2C[NH2+]CC(N)=O)C1 ZINC001391861378 888647386 /nfs/dbraw/zinc/64/73/86/888647386.db2.gz MEHAZSNHXQCVAS-VXGBXAGGSA-N 2 1 298.387 -1.227 20 0 CAADMP CC[N@H+]1CCO[C@@H](C(=O)N2CCC[C@@H]2C[NH2+]CC(N)=O)C1 ZINC001391861378 888647391 /nfs/dbraw/zinc/64/73/91/888647391.db2.gz MEHAZSNHXQCVAS-VXGBXAGGSA-N 2 1 298.387 -1.227 20 0 CAADMP C[C@@H](C[NH2+]CC(=O)NC(N)=O)N(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001392092207 888665796 /nfs/dbraw/zinc/66/57/96/888665796.db2.gz QGKIWLAWQNJFDZ-VHSXEESVSA-N 2 1 299.375 -1.288 20 0 CAADMP CNC(=O)C[NH2+]C[C@H](O)CNC(=O)[C@H]1CCCC[N@H+]1C ZINC001392384986 888690579 /nfs/dbraw/zinc/69/05/79/888690579.db2.gz IXQJDHVCDREHLB-WDEREUQCSA-N 2 1 286.376 -1.717 20 0 CAADMP CNC(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCCC[N@H+]1C ZINC001392384973 888690795 /nfs/dbraw/zinc/69/07/95/888690795.db2.gz IXQJDHVCDREHLB-GHMZBOCLSA-N 2 1 286.376 -1.717 20 0 CAADMP Cc1nnc(C[NH2+]C[C@H](O)CNC(=O)CC[NH+](C)C)[nH]1 ZINC001392396861 888693119 /nfs/dbraw/zinc/69/31/19/888693119.db2.gz WYJDIVXZVBPWDZ-JTQLQIEISA-N 2 1 284.364 -1.368 20 0 CAADMP Cc1nnc(C[NH2+]C[C@@H](O)CNC(=O)CC[NH+](C)C)[nH]1 ZINC001392396863 888693969 /nfs/dbraw/zinc/69/39/69/888693969.db2.gz WYJDIVXZVBPWDZ-SNVBAGLBSA-N 2 1 284.364 -1.368 20 0 CAADMP CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)Cn1c[nH+]cc1C ZINC001392391024 888695046 /nfs/dbraw/zinc/69/50/46/888695046.db2.gz QGPZMVNOLVAPPA-NSHDSACASA-N 2 1 297.359 -1.606 20 0 CAADMP C[C@H](O)C[NH2+]C[C@H](O)CNC(=O)CC[NH+]1CCOCC1 ZINC001392411394 888702374 /nfs/dbraw/zinc/70/23/74/888702374.db2.gz RFWWADNMEVCPQA-RYUDHWBXSA-N 2 1 289.376 -1.844 20 0 CAADMP Cn1cnnc1C[NH2+]C[C@H](O)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001392415978 888702423 /nfs/dbraw/zinc/70/24/23/888702423.db2.gz ALCMUBKRAWSDLU-MNOVXSKESA-N 2 1 296.375 -1.667 20 0 CAADMP Cn1cnnc1C[NH2+]C[C@H](O)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001392415978 888702429 /nfs/dbraw/zinc/70/24/29/888702429.db2.gz ALCMUBKRAWSDLU-MNOVXSKESA-N 2 1 296.375 -1.667 20 0 CAADMP C[C@@H](O)C[NH2+]C[C@H](O)CNC(=O)CC[NH+]1CCOCC1 ZINC001392411385 888702597 /nfs/dbraw/zinc/70/25/97/888702597.db2.gz RFWWADNMEVCPQA-NEPJUHHUSA-N 2 1 289.376 -1.844 20 0 CAADMP Cn1nncc1C[NH2+]C[C@@H](O)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001392421586 888705274 /nfs/dbraw/zinc/70/52/74/888705274.db2.gz GIXDEHUHQZGBPI-CMPLNLGQSA-N 2 1 296.375 -1.667 20 0 CAADMP Cn1cc(C[NH2+]C[C@@H](O)CNC(=O)[C@@H]2CC[N@H+](C)C2)nn1 ZINC001392424967 888705926 /nfs/dbraw/zinc/70/59/26/888705926.db2.gz LNRUGMFDEQGABD-ZYHUDNBSSA-N 2 1 296.375 -1.667 20 0 CAADMP Cn1cc(C[NH2+]C[C@@H](O)CNC(=O)[C@@H]2CC[N@@H+](C)C2)nn1 ZINC001392424967 888705937 /nfs/dbraw/zinc/70/59/37/888705937.db2.gz LNRUGMFDEQGABD-ZYHUDNBSSA-N 2 1 296.375 -1.667 20 0 CAADMP Cn1nncc1C[NH2+]C[C@H](O)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001392421589 888706375 /nfs/dbraw/zinc/70/63/75/888706375.db2.gz GIXDEHUHQZGBPI-PWSUYJOCSA-N 2 1 296.375 -1.667 20 0 CAADMP Cn1nncc1C[NH2+]C[C@H](O)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001392421588 888707472 /nfs/dbraw/zinc/70/74/72/888707472.db2.gz GIXDEHUHQZGBPI-JQWIXIFHSA-N 2 1 296.375 -1.667 20 0 CAADMP CC[C@H](C(=O)NC[C@H](O)C[NH2+]Cc1cnn(C)n1)[NH+](C)C ZINC001392425454 888707533 /nfs/dbraw/zinc/70/75/33/888707533.db2.gz WLSUDXIOGDWJTR-VXGBXAGGSA-N 2 1 298.391 -1.278 20 0 CAADMP CNC(=O)C[NH2+]C[C@H](O)CNC(=O)C[N@@H+](C)C(C)C ZINC001392427029 888708457 /nfs/dbraw/zinc/70/84/57/888708457.db2.gz LJRDUYOGZLBBJA-JTQLQIEISA-N 2 1 274.365 -1.861 20 0 CAADMP C[C@@H](C[N@H+](C)CC(=O)NC(N)=O)NC(=O)[C@@H]1CCC[NH+]1C ZINC001392644463 888726759 /nfs/dbraw/zinc/72/67/59/888726759.db2.gz VBVDXHUBPFQPLM-UWVGGRQHSA-N 2 1 299.375 -1.288 20 0 CAADMP C[C@@H](C[N@@H+](C)CC(=O)NC(N)=O)NC(=O)[C@@H]1CCC[NH+]1C ZINC001392644463 888726763 /nfs/dbraw/zinc/72/67/63/888726763.db2.gz VBVDXHUBPFQPLM-UWVGGRQHSA-N 2 1 299.375 -1.288 20 0 CAADMP C[C@@H](C[NH+](C)CC(=O)NC(N)=O)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001392644463 888726770 /nfs/dbraw/zinc/72/67/70/888726770.db2.gz VBVDXHUBPFQPLM-UWVGGRQHSA-N 2 1 299.375 -1.288 20 0 CAADMP C[C@@H](C[NH+](C)CC(=O)NC(N)=O)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001392644463 888726779 /nfs/dbraw/zinc/72/67/79/888726779.db2.gz VBVDXHUBPFQPLM-UWVGGRQHSA-N 2 1 299.375 -1.288 20 0 CAADMP C[N@H+]1CC[C@@H](C(=O)N2CCO[C@@H](C[NH2+]CC(N)=O)C2)C1 ZINC001393587804 888795692 /nfs/dbraw/zinc/79/56/92/888795692.db2.gz TUNPTFGXJSDEKK-MNOVXSKESA-N 2 1 284.360 -1.760 20 0 CAADMP C[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH+](C)CC(=O)NC(N)=O ZINC001394043787 888814731 /nfs/dbraw/zinc/81/47/31/888814731.db2.gz NOWFUDFIQCMBEL-ZJUUUORDSA-N 2 1 299.375 -1.288 20 0 CAADMP C[C@H](CNC(=O)[C@@H]1CCC[N@H+]1C)[NH+](C)CC(=O)NC(N)=O ZINC001394043787 888814738 /nfs/dbraw/zinc/81/47/38/888814738.db2.gz NOWFUDFIQCMBEL-ZJUUUORDSA-N 2 1 299.375 -1.288 20 0 CAADMP C[C@H](CNC(=O)[C@@H]1CCC[NH+]1C)[N@H+](C)CC(=O)NC(N)=O ZINC001394043787 888814743 /nfs/dbraw/zinc/81/47/43/888814743.db2.gz NOWFUDFIQCMBEL-ZJUUUORDSA-N 2 1 299.375 -1.288 20 0 CAADMP C[C@H](CNC(=O)[C@@H]1CCC[NH+]1C)[N@@H+](C)CC(=O)NC(N)=O ZINC001394043787 888814746 /nfs/dbraw/zinc/81/47/46/888814746.db2.gz NOWFUDFIQCMBEL-ZJUUUORDSA-N 2 1 299.375 -1.288 20 0 CAADMP C[C@@H](CN(C)C(=O)[C@H]1CCC[N@H+]1C)[NH2+]CC(=O)NC(N)=O ZINC001394510300 888836521 /nfs/dbraw/zinc/83/65/21/888836521.db2.gz YWDLYZPRYDULAO-VHSXEESVSA-N 2 1 299.375 -1.288 20 0 CAADMP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@H](CO)[NH2+]CCO ZINC001394642681 888871240 /nfs/dbraw/zinc/87/12/40/888871240.db2.gz CXMTVBQDDWGJBA-VXGBXAGGSA-N 2 1 273.377 -1.080 20 0 CAADMP CN(C[C@H](O)C[NH2+]CC(N)=O)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001394748721 888887138 /nfs/dbraw/zinc/88/71/38/888887138.db2.gz XDECTCNXYLJFPR-MNOVXSKESA-N 2 1 286.376 -1.635 20 0 CAADMP CN(C[C@@H](O)C[NH2+]Cc1cn(C)nn1)C(=O)CC[NH+](C)C ZINC001394762612 888890529 /nfs/dbraw/zinc/89/05/29/888890529.db2.gz PROKNXWAOPRYHB-LBPRGKRZSA-N 2 1 298.391 -1.324 20 0 CAADMP CN(C[C@H](O)C[NH2+]Cc1cnn(C)n1)C(=O)CC[NH+](C)C ZINC001394761019 888890583 /nfs/dbraw/zinc/89/05/83/888890583.db2.gz NEJNYFZYECSTEK-GFCCVEGCSA-N 2 1 298.391 -1.324 20 0 CAADMP CC(C)[N@@H+](C)CC(=O)N(C)C[C@H](O)C[NH2+]CC(N)=O ZINC001394765693 888892605 /nfs/dbraw/zinc/89/26/05/888892605.db2.gz RNFKCKHSKFLDFV-SNVBAGLBSA-N 2 1 274.365 -1.779 20 0 CAADMP CN(C[C@@H](O)C[N@H+](C)CC(N)=O)C(=O)C12CC[NH+](CC1)C2 ZINC001394780085 888898353 /nfs/dbraw/zinc/89/83/53/888898353.db2.gz CYQKBAZSYLWOEK-NSHDSACASA-N 2 1 298.387 -1.681 20 0 CAADMP CN(C[C@@H](O)C[N@@H+](C)CC(N)=O)C(=O)C12CC[NH+](CC1)C2 ZINC001394780085 888898367 /nfs/dbraw/zinc/89/83/67/888898367.db2.gz CYQKBAZSYLWOEK-NSHDSACASA-N 2 1 298.387 -1.681 20 0 CAADMP CNC(=O)[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001398543049 888998657 /nfs/dbraw/zinc/99/86/57/888998657.db2.gz MADMQABODUMVAE-KKOKHZNYSA-N 2 1 298.387 -1.312 20 0 CAADMP CNC(=O)[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001398543049 888998671 /nfs/dbraw/zinc/99/86/71/888998671.db2.gz MADMQABODUMVAE-KKOKHZNYSA-N 2 1 298.387 -1.312 20 0 CAADMP CNC(=O)[C@H](C)[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001398543030 888999104 /nfs/dbraw/zinc/99/91/04/888999104.db2.gz MADMQABODUMVAE-BJDJZHNGSA-N 2 1 298.387 -1.312 20 0 CAADMP CNC(=O)[C@H](C)[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001398543030 888999115 /nfs/dbraw/zinc/99/91/15/888999115.db2.gz MADMQABODUMVAE-BJDJZHNGSA-N 2 1 298.387 -1.312 20 0 CAADMP Cc1[nH+]ccn1CC(=O)NC[C@@H](C)[NH2+]CC(=O)NC(N)=O ZINC001399127985 889031220 /nfs/dbraw/zinc/03/12/20/889031220.db2.gz WOGHFMAETJSZBR-MRVPVSSYSA-N 2 1 296.331 -1.519 20 0 CAADMP C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]Cc1nnnn1C ZINC001399108586 889032390 /nfs/dbraw/zinc/03/23/90/889032390.db2.gz KCXFUGJCKOJWMJ-UWVGGRQHSA-N 2 1 281.364 -1.244 20 0 CAADMP C[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)[NH2+]Cc1nnnn1C ZINC001399108586 889032403 /nfs/dbraw/zinc/03/24/03/889032403.db2.gz KCXFUGJCKOJWMJ-UWVGGRQHSA-N 2 1 281.364 -1.244 20 0 CAADMP C[C@@H](C[NH2+]CC(N)=O)N(C)C(=O)CC[NH+]1CCOCC1 ZINC001401253108 889132502 /nfs/dbraw/zinc/13/25/02/889132502.db2.gz BASXNAOLQMKMIO-NSHDSACASA-N 2 1 286.376 -1.370 20 0 CAADMP CN(CC[N@H+](C)CC(=O)NC(N)=O)C(=O)[C@H]1CC[NH+](C)C1 ZINC001401437234 889135406 /nfs/dbraw/zinc/13/54/06/889135406.db2.gz JZLHFLRPIBORJM-JTQLQIEISA-N 2 1 299.375 -1.477 20 0 CAADMP CN(CC[N@@H+](C)CC(=O)NC(N)=O)C(=O)[C@H]1CC[NH+](C)C1 ZINC001401437234 889135413 /nfs/dbraw/zinc/13/54/13/889135413.db2.gz JZLHFLRPIBORJM-JTQLQIEISA-N 2 1 299.375 -1.477 20 0 CAADMP CN(CC[NH+](C)CC(=O)NC(N)=O)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001401437234 889135422 /nfs/dbraw/zinc/13/54/22/889135422.db2.gz JZLHFLRPIBORJM-JTQLQIEISA-N 2 1 299.375 -1.477 20 0 CAADMP CN(CC[NH+](C)CC(=O)NC(N)=O)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001401437234 889135428 /nfs/dbraw/zinc/13/54/28/889135428.db2.gz JZLHFLRPIBORJM-JTQLQIEISA-N 2 1 299.375 -1.477 20 0 CAADMP CC[C@@H](C(=O)NC[C@H](O)C[NH2+]Cc1ncnn1C)[NH+](C)C ZINC001401551746 889157570 /nfs/dbraw/zinc/15/75/70/889157570.db2.gz HBWWWKWCEZJRCP-MNOVXSKESA-N 2 1 298.391 -1.278 20 0 CAADMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@H](O)C[NH2+]CC(=O)N1CCC1 ZINC001401570729 889160938 /nfs/dbraw/zinc/16/09/38/889160938.db2.gz ZSLIYUAZSJZPER-VXGBXAGGSA-N 2 1 298.387 -1.620 20 0 CAADMP C[C@H]1C[C@@H](C(=O)NC[C@H](O)C[NH2+]CC(N)=O)CC[N@H+]1C ZINC001401572735 889161709 /nfs/dbraw/zinc/16/17/09/889161709.db2.gz PUKPTNBGIDTXTG-GARJFASQSA-N 2 1 286.376 -1.731 20 0 CAADMP C[N@@H+]1CC[C@@H](C(=O)NC[C@H](O)C[NH2+]Cc2ncccn2)C1 ZINC001401575061 889164241 /nfs/dbraw/zinc/16/42/41/889164241.db2.gz FHJQQYGBLVCXLE-VXGBXAGGSA-N 2 1 293.371 -1.005 20 0 CAADMP C[N@H+]1CC[C@@H](C(=O)NC[C@H](O)C[NH2+]Cc2ncccn2)C1 ZINC001401575061 889164244 /nfs/dbraw/zinc/16/42/44/889164244.db2.gz FHJQQYGBLVCXLE-VXGBXAGGSA-N 2 1 293.371 -1.005 20 0 CAADMP CN(C)C(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001401574937 889164643 /nfs/dbraw/zinc/16/46/43/889164643.db2.gz FCBVZDSIZNFPPH-GHMZBOCLSA-N 2 1 286.376 -1.907 20 0 CAADMP Cn1ncnc1C[NH2+]C[C@@H](O)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001401589409 889168891 /nfs/dbraw/zinc/16/88/91/889168891.db2.gz XIGWAWXFZYCPRU-WDEREUQCSA-N 2 1 296.375 -1.667 20 0 CAADMP Cn1ncnc1C[NH2+]C[C@@H](O)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001401589409 889168895 /nfs/dbraw/zinc/16/88/95/889168895.db2.gz XIGWAWXFZYCPRU-WDEREUQCSA-N 2 1 296.375 -1.667 20 0 CAADMP CNC(=O)C[NH2+]C[C@@H](C)NC(=O)CC[NH+]1CCOCC1 ZINC001401650181 889173672 /nfs/dbraw/zinc/17/36/72/889173672.db2.gz HPZCBZIWKQTSFG-LLVKDONJSA-N 2 1 286.376 -1.451 20 0 CAADMP C[C@H](C[NH2+]CC(=O)NC(N)=O)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001401652664 889174512 /nfs/dbraw/zinc/17/45/12/889174512.db2.gz NQYZNKOTLWIIGP-ZJUUUORDSA-N 2 1 299.375 -1.383 20 0 CAADMP CC(C)[N@@H+](C)CC(=O)NCC1([NH2+]CC(=O)NC(N)=O)CC1 ZINC001401985111 889196833 /nfs/dbraw/zinc/19/68/33/889196833.db2.gz IVIHHEBAOAMWHM-UHFFFAOYSA-N 2 1 299.375 -1.240 20 0 CAADMP CCC[N@@H+](C)CC(=O)N1CCO[C@H](C[NH2+]CC(N)=O)C1 ZINC001402604235 889253395 /nfs/dbraw/zinc/25/33/95/889253395.db2.gz QAULHEYMNNJUSP-LLVKDONJSA-N 2 1 286.376 -1.370 20 0 CAADMP C[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@](CO)([NH2+]CC(N)=O)C1 ZINC001402727065 889258637 /nfs/dbraw/zinc/25/86/37/889258637.db2.gz QZEPPANVFWXINL-SMDDNHRTSA-N 2 1 298.387 -1.491 20 0 CAADMP NC(=O)C[NH2+][C@H](CO)CNC(=O)C12CCC[NH+]1CCC2 ZINC001403675189 889345085 /nfs/dbraw/zinc/34/50/85/889345085.db2.gz PFMKIZSCYZAXIC-JTQLQIEISA-N 2 1 284.360 -1.833 20 0 CAADMP COC[C@@H](O)C[NH2+][C@@H](CO)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001403693500 889348949 /nfs/dbraw/zinc/34/89/49/889348949.db2.gz ARDDIJXTAAHXEI-GRYCIOLGSA-N 2 1 289.376 -1.845 20 0 CAADMP Cn1ccc(C[NH2+][C@@H](CO)CNC(=O)[C@@H]2CC[N@H+](C)C2)n1 ZINC001403743980 889361656 /nfs/dbraw/zinc/36/16/56/889361656.db2.gz LFLUMCMVXVLMEB-DGCLKSJQSA-N 2 1 295.387 -1.062 20 0 CAADMP Cn1ccc(C[NH2+][C@@H](CO)CNC(=O)[C@@H]2CC[N@@H+](C)C2)n1 ZINC001403743980 889361669 /nfs/dbraw/zinc/36/16/69/889361669.db2.gz LFLUMCMVXVLMEB-DGCLKSJQSA-N 2 1 295.387 -1.062 20 0 CAADMP Cn1ccc(C[NH2+][C@H](CO)CNC(=O)[C@@H]2CC[N@H+](C)C2)n1 ZINC001403743987 889363005 /nfs/dbraw/zinc/36/30/05/889363005.db2.gz LFLUMCMVXVLMEB-YPMHNXCESA-N 2 1 295.387 -1.062 20 0 CAADMP Cn1ccc(C[NH2+][C@H](CO)CNC(=O)[C@@H]2CC[N@@H+](C)C2)n1 ZINC001403743987 889363034 /nfs/dbraw/zinc/36/30/34/889363034.db2.gz LFLUMCMVXVLMEB-YPMHNXCESA-N 2 1 295.387 -1.062 20 0 CAADMP Cn1cncc1C[NH2+][C@H](CO)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001403747026 889364910 /nfs/dbraw/zinc/36/49/10/889364910.db2.gz NQWUYBNZQPMDJR-RYUDHWBXSA-N 2 1 295.387 -1.062 20 0 CAADMP CN(C[C@H](O)C[NH2+]CC(N)=O)C(=O)[C@H]1CCCC[N@H+]1C ZINC001403858859 889378457 /nfs/dbraw/zinc/37/84/57/889378457.db2.gz XDECTCNXYLJFPR-GHMZBOCLSA-N 2 1 286.376 -1.635 20 0 CAADMP Cc1c[nH+]cn1CC(=O)N(C)C[C@@H](O)C[NH2+]C[C@H](C)O ZINC001403855454 889379804 /nfs/dbraw/zinc/37/98/04/889379804.db2.gz WNYSHBNCMAQXQQ-RYUDHWBXSA-N 2 1 284.360 -1.019 20 0 CAADMP CN(C[C@@H](O)C[NH2+]CC(N)=O)C(=O)[C@H]1CCCC[N@H+]1C ZINC001403858869 889381068 /nfs/dbraw/zinc/38/10/68/889381068.db2.gz XDECTCNXYLJFPR-WDEREUQCSA-N 2 1 286.376 -1.635 20 0 CAADMP CN(C[C@H](O)C[NH2+]Cc1nncn1C)C(=O)CC[NH+](C)C ZINC001403879424 889384821 /nfs/dbraw/zinc/38/48/21/889384821.db2.gz UOUCGBOGNZYZEI-LLVKDONJSA-N 2 1 298.391 -1.324 20 0 CAADMP CN(C[C@H](O)C[N@H+](C)CC(N)=O)C(=O)[C@H]1CCC[NH+]1C ZINC001403898339 889385824 /nfs/dbraw/zinc/38/58/24/889385824.db2.gz QLANZDYUHAOWSZ-GHMZBOCLSA-N 2 1 286.376 -1.683 20 0 CAADMP CN(C[C@H](O)C[N@@H+](C)CC(N)=O)C(=O)[C@H]1CCC[NH+]1C ZINC001403898339 889385833 /nfs/dbraw/zinc/38/58/33/889385833.db2.gz QLANZDYUHAOWSZ-GHMZBOCLSA-N 2 1 286.376 -1.683 20 0 CAADMP CN(C[C@H](O)C[NH+](C)CC(N)=O)C(=O)[C@H]1CCC[N@@H+]1C ZINC001403898339 889385847 /nfs/dbraw/zinc/38/58/47/889385847.db2.gz QLANZDYUHAOWSZ-GHMZBOCLSA-N 2 1 286.376 -1.683 20 0 CAADMP CN(C[C@H](O)C[NH+](C)CC(N)=O)C(=O)[C@H]1CCC[N@H+]1C ZINC001403898339 889385862 /nfs/dbraw/zinc/38/58/62/889385862.db2.gz QLANZDYUHAOWSZ-GHMZBOCLSA-N 2 1 286.376 -1.683 20 0 CAADMP CC[C@H](CNC(=O)[C@@H]1CCC[N@H+]1C)[NH2+]CC(=O)NC(N)=O ZINC001405197899 889432239 /nfs/dbraw/zinc/43/22/39/889432239.db2.gz COFIDNLXXYHKPW-ZJUUUORDSA-N 2 1 299.375 -1.240 20 0 CAADMP Cn1ncnc1C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001406228458 889493380 /nfs/dbraw/zinc/49/33/80/889493380.db2.gz ZIDXBFBRSLMNDT-MNOVXSKESA-N 2 1 296.375 -1.524 20 0 CAADMP Cn1ncnc1C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001406228458 889493383 /nfs/dbraw/zinc/49/33/83/889493383.db2.gz ZIDXBFBRSLMNDT-MNOVXSKESA-N 2 1 296.375 -1.524 20 0 CAADMP C[N@@H+](CC(=O)NC[C@@H](O)C[NH2+][C@@H]1CCNC1=O)C1CCC1 ZINC001406246373 889494512 /nfs/dbraw/zinc/49/45/12/889494512.db2.gz PHIFGPXYBKQLRD-NWDGAFQWSA-N 2 1 298.387 -1.574 20 0 CAADMP CC[C@H]([NH2+]C[C@H](O)CNC(=O)Cn1c[nH+]cc1C)C(N)=O ZINC001406240815 889496282 /nfs/dbraw/zinc/49/62/82/889496282.db2.gz GXBQYRBSOPGZIO-QWRGUYRKSA-N 2 1 297.359 -1.478 20 0 CAADMP C[C@H]([NH2+]C[C@H](O)CNC(=O)CC[NH+](C)C)c1nncn1C ZINC001406255226 889498579 /nfs/dbraw/zinc/49/85/79/889498579.db2.gz GISJMISKLMSJEE-QWRGUYRKSA-N 2 1 298.391 -1.106 20 0 CAADMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@H](O)C[NH2+]CC(=O)NC1CC1 ZINC001406259603 889498613 /nfs/dbraw/zinc/49/86/13/889498613.db2.gz UEWAKWVGFJDEGQ-VXGBXAGGSA-N 2 1 298.387 -1.574 20 0 CAADMP C[C@@H]([NH2+]C[C@@H](O)CNC(=O)CC[NH+](C)C)c1nncn1C ZINC001406255220 889499921 /nfs/dbraw/zinc/49/99/21/889499921.db2.gz GISJMISKLMSJEE-GHMZBOCLSA-N 2 1 298.391 -1.106 20 0 CAADMP Cn1cc(C[NH2+]C[C@H](O)CNC(=O)[C@H]2CC[N@@H+](C)C2)cn1 ZINC001406275527 889507176 /nfs/dbraw/zinc/50/71/76/889507176.db2.gz CGDVUQVGHCGSCZ-STQMWFEESA-N 2 1 295.387 -1.062 20 0 CAADMP Cc1[nH+]ccn1CC(=O)NC[C@@H](O)C[NH2+]CC(=O)N(C)C ZINC001406300988 889509621 /nfs/dbraw/zinc/50/96/21/889509621.db2.gz ZOLOOCQVVHZPFL-NSHDSACASA-N 2 1 297.359 -1.654 20 0 CAADMP C[C@H](C[NH2+][C@@H]1CCNC1=O)NC(=O)CC[NH+]1CCOCC1 ZINC001406410057 889521964 /nfs/dbraw/zinc/52/19/64/889521964.db2.gz RKZVXKFURKCOPB-VXGBXAGGSA-N 2 1 298.387 -1.309 20 0 CAADMP C[C@@H]([NH2+]C1(CNC(=O)[C@@H]2C[N@H+](C)CCO2)CC1)C(N)=O ZINC001406914440 889546028 /nfs/dbraw/zinc/54/60/28/889546028.db2.gz VQEQETKPCRWFQH-ZJUUUORDSA-N 2 1 284.360 -1.571 20 0 CAADMP C[C@@H]([NH2+]C1(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1)C(N)=O ZINC001406914440 889546039 /nfs/dbraw/zinc/54/60/39/889546039.db2.gz VQEQETKPCRWFQH-ZJUUUORDSA-N 2 1 284.360 -1.571 20 0 CAADMP C[C@H](O)C[NH2+]C1(CNC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001406912791 889546229 /nfs/dbraw/zinc/54/62/29/889546229.db2.gz SSSUMBZXKNYMRT-QWRGUYRKSA-N 2 1 271.361 -1.064 20 0 CAADMP C[C@H](O)C[NH2+]C1(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001406912791 889546242 /nfs/dbraw/zinc/54/62/42/889546242.db2.gz SSSUMBZXKNYMRT-QWRGUYRKSA-N 2 1 271.361 -1.064 20 0 CAADMP C[C@H]([NH2+]C1(CNC(=O)[C@@H]2C[N@H+](C)CCO2)CC1)C(N)=O ZINC001406914407 889546814 /nfs/dbraw/zinc/54/68/14/889546814.db2.gz VQEQETKPCRWFQH-UWVGGRQHSA-N 2 1 284.360 -1.571 20 0 CAADMP C[C@H]([NH2+]C1(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1)C(N)=O ZINC001406914407 889546825 /nfs/dbraw/zinc/54/68/25/889546825.db2.gz VQEQETKPCRWFQH-UWVGGRQHSA-N 2 1 284.360 -1.571 20 0 CAADMP CC[N@@H+]1CCO[C@@H](C(=O)NCC2([NH2+]CC(N)=O)CC2)C1 ZINC001406996011 889549060 /nfs/dbraw/zinc/54/90/60/889549060.db2.gz AYEHSSKXPQOOEF-SNVBAGLBSA-N 2 1 284.360 -1.569 20 0 CAADMP CC[N@H+]1CCO[C@@H](C(=O)NCC2([NH2+]CC(N)=O)CC2)C1 ZINC001406996011 889549068 /nfs/dbraw/zinc/54/90/68/889549068.db2.gz AYEHSSKXPQOOEF-SNVBAGLBSA-N 2 1 284.360 -1.569 20 0 CAADMP CC[N@@H+]1CCO[C@H](C(=O)NCC2([NH2+]CC(N)=O)CC2)C1 ZINC001406996008 889549904 /nfs/dbraw/zinc/54/99/04/889549904.db2.gz AYEHSSKXPQOOEF-JTQLQIEISA-N 2 1 284.360 -1.569 20 0 CAADMP CC[N@H+]1CCO[C@H](C(=O)NCC2([NH2+]CC(N)=O)CC2)C1 ZINC001406996008 889549916 /nfs/dbraw/zinc/54/99/16/889549916.db2.gz AYEHSSKXPQOOEF-JTQLQIEISA-N 2 1 284.360 -1.569 20 0 CAADMP NC(=O)C[NH2+]C[C@H]1CCCN1C(=O)CC[NH+]1CCOCC1 ZINC001407119427 889555183 /nfs/dbraw/zinc/55/51/83/889555183.db2.gz WWRTYDHQRKBTDN-GFCCVEGCSA-N 2 1 298.387 -1.225 20 0 CAADMP C[N@H+]1CCCC[C@H]1C(=O)N1CCO[C@@H](C[NH2+]CC(N)=O)C1 ZINC001407847605 889591110 /nfs/dbraw/zinc/59/11/10/889591110.db2.gz IEJWELURHQTAQQ-RYUDHWBXSA-N 2 1 298.387 -1.227 20 0 CAADMP CNC(=O)C[NH2+]C1(CNC(=O)[C@H]2C[N@H+](C)CCO2)CCC1 ZINC001407783841 889592164 /nfs/dbraw/zinc/59/21/64/889592164.db2.gz RJNAXBZFSLUHRS-LLVKDONJSA-N 2 1 298.387 -1.309 20 0 CAADMP CNC(=O)C[NH2+]C1(CNC(=O)[C@H]2C[N@@H+](C)CCO2)CCC1 ZINC001407783841 889592168 /nfs/dbraw/zinc/59/21/68/889592168.db2.gz RJNAXBZFSLUHRS-LLVKDONJSA-N 2 1 298.387 -1.309 20 0 CAADMP C[C@@H](CN(C)C(=O)[C@@H]1CCC[N@H+]1C)[NH2+]CC(=O)NC(N)=O ZINC001410356232 889674881 /nfs/dbraw/zinc/67/48/81/889674881.db2.gz YWDLYZPRYDULAO-UWVGGRQHSA-N 2 1 299.375 -1.288 20 0 CAADMP C[C@@H](O)C[NH2+][C@@H](CO)CNC(=O)C[N@@H+](C)C1CCC1 ZINC001410646803 889694406 /nfs/dbraw/zinc/69/44/06/889694406.db2.gz DEHFTWRPICUBSO-GHMZBOCLSA-N 2 1 273.377 -1.082 20 0 CAADMP Cc1c[nH+]cn1CC(=O)NC[C@H](CO)[NH2+]C[C@H](C)O ZINC001410687764 889699282 /nfs/dbraw/zinc/69/92/82/889699282.db2.gz AFHJPNGRKXSLER-WDEREUQCSA-N 2 1 270.333 -1.361 20 0 CAADMP Cc1c[nH+]cn1CC(=O)NC[C@@H](CO)[NH2+]C[C@H](C)O ZINC001410687758 889699796 /nfs/dbraw/zinc/69/97/96/889699796.db2.gz AFHJPNGRKXSLER-QWRGUYRKSA-N 2 1 270.333 -1.361 20 0 CAADMP Cc1[nH+]cc2n1CC[C@H](C(=O)NC[C@@H](CO)[NH2+]CCO)C2 ZINC001410716813 889705537 /nfs/dbraw/zinc/70/55/37/889705537.db2.gz CMLCMYQDTFSACN-RYUDHWBXSA-N 2 1 296.371 -1.187 20 0 CAADMP Cc1[nH+]cc2n1CC[C@@H](C(=O)NC[C@H](CO)[NH2+]CCO)C2 ZINC001410716826 889706592 /nfs/dbraw/zinc/70/65/92/889706592.db2.gz CMLCMYQDTFSACN-VXGBXAGGSA-N 2 1 296.371 -1.187 20 0 CAADMP CC[N@@H+](C)CCC(=O)NC[C@H](CO)[NH2+][C@H]1CCNC1=O ZINC001410768192 889711065 /nfs/dbraw/zinc/71/10/65/889711065.db2.gz HUTSLCHOFIQSQQ-MNOVXSKESA-N 2 1 286.376 -1.717 20 0 CAADMP CC[N@@H+](C)CCC(=O)NC[C@@H](CO)[NH2+][C@@H]1CCNC1=O ZINC001410768235 889713764 /nfs/dbraw/zinc/71/37/64/889713764.db2.gz HUTSLCHOFIQSQQ-WDEREUQCSA-N 2 1 286.376 -1.717 20 0 CAADMP Cn1nncc1C[NH2+][C@@H](CO)CNC(=O)C[NH+]1CCCC1 ZINC001410790905 889716746 /nfs/dbraw/zinc/71/67/46/889716746.db2.gz QDKSWTFSNJZREI-LLVKDONJSA-N 2 1 296.375 -1.522 20 0 CAADMP Cc1[nH+]ccn1CC(=O)N(C)C[C@@H](O)C[NH2+][C@@H](C)C(N)=O ZINC001411121520 889735290 /nfs/dbraw/zinc/73/52/90/889735290.db2.gz DMSINTSCVAMLPH-ONGXEEELSA-N 2 1 297.359 -1.526 20 0 CAADMP C[N@H+](C[C@H](O)C[NH+]1C[C@H](C(N)=O)[C@@H](C(N)=O)C1)C1CC1 ZINC001414017367 890037616 /nfs/dbraw/zinc/03/76/16/890037616.db2.gz OBPHUMBKYRELEH-DCAQKATOSA-N 2 1 284.360 -2.040 20 0 CAADMP C[N@@H+](C[C@H](O)C[NH+]1C[C@H](C(N)=O)[C@@H](C(N)=O)C1)C1CC1 ZINC001414017367 890037632 /nfs/dbraw/zinc/03/76/32/890037632.db2.gz OBPHUMBKYRELEH-DCAQKATOSA-N 2 1 284.360 -2.040 20 0 CAADMP C[NH+]1CCN(C(=O)CC[N@@H+]2CC[C@@H](O)[C@H](CO)C2)CC1 ZINC001414000334 890038694 /nfs/dbraw/zinc/03/86/94/890038694.db2.gz OAMMLOGYOYANPR-QWHCGFSZSA-N 2 1 285.388 -1.174 20 0 CAADMP C[NH+]1CCN(C(=O)CC[N@H+]2CC[C@@H](O)[C@H](CO)C2)CC1 ZINC001414000334 890038714 /nfs/dbraw/zinc/03/87/14/890038714.db2.gz OAMMLOGYOYANPR-QWHCGFSZSA-N 2 1 285.388 -1.174 20 0 CAADMP C[NH+]1CCN(C(=O)CC[N@@H+]2CC[C@H](O)[C@H](CO)C2)CC1 ZINC001414000336 890039019 /nfs/dbraw/zinc/03/90/19/890039019.db2.gz OAMMLOGYOYANPR-STQMWFEESA-N 2 1 285.388 -1.174 20 0 CAADMP C[NH+]1CCN(C(=O)CC[N@H+]2CC[C@H](O)[C@H](CO)C2)CC1 ZINC001414000336 890039029 /nfs/dbraw/zinc/03/90/29/890039029.db2.gz OAMMLOGYOYANPR-STQMWFEESA-N 2 1 285.388 -1.174 20 0 CAADMP C[NH+]1CCN(C(=O)CC[N@@H+]2CC[C@H](O)[C@@H](CO)C2)CC1 ZINC001414000332 890039908 /nfs/dbraw/zinc/03/99/08/890039908.db2.gz OAMMLOGYOYANPR-OLZOCXBDSA-N 2 1 285.388 -1.174 20 0 CAADMP C[NH+]1CCN(C(=O)CC[N@H+]2CC[C@H](O)[C@@H](CO)C2)CC1 ZINC001414000332 890039925 /nfs/dbraw/zinc/03/99/25/890039925.db2.gz OAMMLOGYOYANPR-OLZOCXBDSA-N 2 1 285.388 -1.174 20 0 CAADMP CNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001418087502 890191355 /nfs/dbraw/zinc/19/13/55/890191355.db2.gz HKAZKGSAYNVHCQ-OUAUKWLOSA-N 2 1 284.360 -1.700 20 0 CAADMP CNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001418087502 890191360 /nfs/dbraw/zinc/19/13/60/890191360.db2.gz HKAZKGSAYNVHCQ-OUAUKWLOSA-N 2 1 284.360 -1.700 20 0 CAADMP C[C@@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)[NH2+]CCn1cncn1 ZINC001418209107 890196675 /nfs/dbraw/zinc/19/66/75/890196675.db2.gz MAJSKKZRDDXDAK-RYUDHWBXSA-N 2 1 296.375 -1.297 20 0 CAADMP C[C@@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)[NH2+]CCn1cncn1 ZINC001418209107 890196683 /nfs/dbraw/zinc/19/66/83/890196683.db2.gz MAJSKKZRDDXDAK-RYUDHWBXSA-N 2 1 296.375 -1.297 20 0 CAADMP C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)[NH2+]CC(=O)NC(N)=O ZINC001418320165 890209612 /nfs/dbraw/zinc/20/96/12/890209612.db2.gz VJVOPVLUMFDYNY-DTWKUNHWSA-N 2 1 285.348 -1.773 20 0 CAADMP C[N@@H+]1CCO[C@H](C(=O)N2CC[C@H](C[NH2+]CC(N)=O)C2)C1 ZINC001418335944 890212433 /nfs/dbraw/zinc/21/24/33/890212433.db2.gz NQSPGSKRUIKXEN-MNOVXSKESA-N 2 1 284.360 -1.760 20 0 CAADMP CNC(=O)C[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001418670629 890252705 /nfs/dbraw/zinc/25/27/05/890252705.db2.gz NOVLVXHCWCHURX-IJLUTSLNSA-N 2 1 298.387 -1.453 20 0 CAADMP CNC(=O)C[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001418670629 890252719 /nfs/dbraw/zinc/25/27/19/890252719.db2.gz NOVLVXHCWCHURX-IJLUTSLNSA-N 2 1 298.387 -1.453 20 0 CAADMP C[C@@H]1[C@@H](NC(=O)CC[NH+](C)C)CC[N@@H+]1CC(=O)NC(N)=O ZINC001418802834 890260076 /nfs/dbraw/zinc/26/00/76/890260076.db2.gz IDJGPGIWVNXLIE-ZJUUUORDSA-N 2 1 299.375 -1.288 20 0 CAADMP C[C@@H]1[C@@H](NC(=O)CC[NH+](C)C)CC[N@H+]1CC(=O)NC(N)=O ZINC001418802834 890260090 /nfs/dbraw/zinc/26/00/90/890260090.db2.gz IDJGPGIWVNXLIE-ZJUUUORDSA-N 2 1 299.375 -1.288 20 0 CAADMP C[C@H]1CC[N@H+](CC(=O)NC[C@@]2(CO)COCC[NH2+]2)C1 ZINC001418953380 890276257 /nfs/dbraw/zinc/27/62/57/890276257.db2.gz QZOAGKCRWUZRQG-WCQYABFASA-N 2 1 271.361 -1.205 20 0 CAADMP C[C@H]1CC[N@@H+](CC(=O)NC[C@@]2(CO)COCC[NH2+]2)C1 ZINC001418953380 890276273 /nfs/dbraw/zinc/27/62/73/890276273.db2.gz QZOAGKCRWUZRQG-WCQYABFASA-N 2 1 271.361 -1.205 20 0 CAADMP CC[C@@H](CNC(=O)[C@H]1C[N@H+](CC)CCO1)[NH2+]CC(N)=O ZINC001419267753 890316879 /nfs/dbraw/zinc/31/68/79/890316879.db2.gz HVXATAUMNYJCQO-WDEREUQCSA-N 2 1 286.376 -1.323 20 0 CAADMP CC[C@@H](CNC(=O)[C@H]1C[N@@H+](CC)CCO1)[NH2+]CC(N)=O ZINC001419267753 890316893 /nfs/dbraw/zinc/31/68/93/890316893.db2.gz HVXATAUMNYJCQO-WDEREUQCSA-N 2 1 286.376 -1.323 20 0 CAADMP CC(C)[N@@H+](C)CC(=O)N1CC[C@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001419386580 890319119 /nfs/dbraw/zinc/31/91/19/890319119.db2.gz MXUJWKXOESBQKL-JTQLQIEISA-N 2 1 299.375 -1.288 20 0 CAADMP C[C@@H](CNC(=O)[C@@H]1CCC[N@H+]1C)C[NH2+]CC(=O)NC(N)=O ZINC001419460006 890328162 /nfs/dbraw/zinc/32/81/62/890328162.db2.gz WLAWBVFENKHQJI-ZJUUUORDSA-N 2 1 299.375 -1.383 20 0 CAADMP COC[C@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001419666594 890340273 /nfs/dbraw/zinc/34/02/73/890340273.db2.gz HYNLTZIAFGNEFB-POQQGIQPSA-N 2 1 297.399 -1.008 20 0 CAADMP COC[C@H](O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001419666594 890340285 /nfs/dbraw/zinc/34/02/85/890340285.db2.gz HYNLTZIAFGNEFB-POQQGIQPSA-N 2 1 297.399 -1.008 20 0 CAADMP COC[C@H](O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001419666594 890340295 /nfs/dbraw/zinc/34/02/95/890340295.db2.gz HYNLTZIAFGNEFB-POQQGIQPSA-N 2 1 297.399 -1.008 20 0 CAADMP COC[C@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[NH+](C)C1 ZINC001419666589 890341933 /nfs/dbraw/zinc/34/19/33/890341933.db2.gz HYNLTZIAFGNEFB-MEBFFEOJSA-N 2 1 297.399 -1.008 20 0 CAADMP COC[C@H](O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001419666589 890341953 /nfs/dbraw/zinc/34/19/53/890341953.db2.gz HYNLTZIAFGNEFB-MEBFFEOJSA-N 2 1 297.399 -1.008 20 0 CAADMP COC[C@H](O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001419666589 890341970 /nfs/dbraw/zinc/34/19/70/890341970.db2.gz HYNLTZIAFGNEFB-MEBFFEOJSA-N 2 1 297.399 -1.008 20 0 CAADMP C[C@H](CNC(=O)CC[NH+]1CCOCC1)[NH2+][C@H]1CCNC1=O ZINC001419875998 890363132 /nfs/dbraw/zinc/36/31/32/890363132.db2.gz KVRJTDORAHLPFC-NEPJUHHUSA-N 2 1 298.387 -1.309 20 0 CAADMP CNC(=O)NC(=O)C[NH2+][C@H](C)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001419919129 890363848 /nfs/dbraw/zinc/36/38/48/890363848.db2.gz IASJNSQRZXTOIN-ZJUUUORDSA-N 2 1 299.375 -1.512 20 0 CAADMP CC(C)[N@@H+](C)CC(=O)NC[C@H](C)[NH2+]CC(=O)NC(N)=O ZINC001419933027 890366912 /nfs/dbraw/zinc/36/69/12/890366912.db2.gz HXIMDFZIGKJPJD-VIFPVBQESA-N 2 1 287.364 -1.384 20 0 CAADMP CN(CC[N@@H+](C)CC(=O)NC(N)=O)C(=O)CC[NH+](C)C ZINC001420006517 890373279 /nfs/dbraw/zinc/37/32/79/890373279.db2.gz LEDSQAGJSOZRBP-UHFFFAOYSA-N 2 1 287.364 -1.477 20 0 CAADMP CN(CC[N@H+](C)CC(=O)NC(N)=O)C(=O)CC[NH+](C)C ZINC001420006517 890373265 /nfs/dbraw/zinc/37/32/65/890373265.db2.gz LEDSQAGJSOZRBP-UHFFFAOYSA-N 2 1 287.364 -1.477 20 0 CAADMP C[C@@H](CCNC(=O)[C@H]1CC[N@@H+](C)C1)[NH2+]CC(=O)NC(N)=O ZINC001420163726 890403009 /nfs/dbraw/zinc/40/30/09/890403009.db2.gz QNLAVPZYZCXSRV-UWVGGRQHSA-N 2 1 299.375 -1.383 20 0 CAADMP C[N@H+]1CC[C@H](C(=O)NC[C@@H](O)C[NH2+]CC(=O)NC2CC2)C1 ZINC001420195981 890409798 /nfs/dbraw/zinc/40/97/98/890409798.db2.gz ZGKBOFHEWQKFGY-JQWIXIFHSA-N 2 1 298.387 -1.717 20 0 CAADMP CC[C@@H](C(=O)NC[C@@H](O)C[NH2+]Cc1cn(C)nn1)[NH+](C)C ZINC001420197617 890413829 /nfs/dbraw/zinc/41/38/29/890413829.db2.gz PJFXEDJIZADIJO-RYUDHWBXSA-N 2 1 298.391 -1.278 20 0 CAADMP CNC(=O)[C@H](C)[NH2+]C[C@H](O)CNC(=O)C[N@@H+](C)C(C)C ZINC001420215383 890418369 /nfs/dbraw/zinc/41/83/69/890418369.db2.gz ORISDOCPVLNYJF-QWRGUYRKSA-N 2 1 288.392 -1.472 20 0 CAADMP CC(C)[N@@H+](C)CC(=O)NC[C@H](O)C[NH2+]Cc1cnnn1C ZINC001420212608 890418385 /nfs/dbraw/zinc/41/83/85/890418385.db2.gz LBBNQWUQPQBNRP-GFCCVEGCSA-N 2 1 298.391 -1.278 20 0 CAADMP C[C@@H]1[C@H](C(=O)NCC[NH+](C)CC(=O)NC(N)=O)CC[N@@H+]1C ZINC001420215978 890419107 /nfs/dbraw/zinc/41/91/07/890419107.db2.gz DCSRLHGVXGEJCJ-NXEZZACHSA-N 2 1 299.375 -1.431 20 0 CAADMP C[C@@H]1[C@H](C(=O)NCC[NH+](C)CC(=O)NC(N)=O)CC[N@H+]1C ZINC001420215978 890419114 /nfs/dbraw/zinc/41/91/14/890419114.db2.gz DCSRLHGVXGEJCJ-NXEZZACHSA-N 2 1 299.375 -1.431 20 0 CAADMP C[C@@H]1[C@H](C(=O)NCC[N@H+](C)CC(=O)NC(N)=O)CC[NH+]1C ZINC001420215978 890419117 /nfs/dbraw/zinc/41/91/17/890419117.db2.gz DCSRLHGVXGEJCJ-NXEZZACHSA-N 2 1 299.375 -1.431 20 0 CAADMP C[C@@H]1[C@H](C(=O)NCC[N@@H+](C)CC(=O)NC(N)=O)CC[NH+]1C ZINC001420215978 890419123 /nfs/dbraw/zinc/41/91/23/890419123.db2.gz DCSRLHGVXGEJCJ-NXEZZACHSA-N 2 1 299.375 -1.431 20 0 CAADMP C[N@H+](CCNC(=O)C[C@H]1CC[NH+](C)C1)CC(=O)NC(N)=O ZINC001420335933 890428626 /nfs/dbraw/zinc/42/86/26/890428626.db2.gz XOIJKVDLBLOZPG-SNVBAGLBSA-N 2 1 299.375 -1.429 20 0 CAADMP C[N@@H+](CCNC(=O)C[C@H]1CC[NH+](C)C1)CC(=O)NC(N)=O ZINC001420335933 890428638 /nfs/dbraw/zinc/42/86/38/890428638.db2.gz XOIJKVDLBLOZPG-SNVBAGLBSA-N 2 1 299.375 -1.429 20 0 CAADMP C[NH+](CCNC(=O)C[C@H]1CC[N@H+](C)C1)CC(=O)NC(N)=O ZINC001420335933 890428646 /nfs/dbraw/zinc/42/86/46/890428646.db2.gz XOIJKVDLBLOZPG-SNVBAGLBSA-N 2 1 299.375 -1.429 20 0 CAADMP C[NH+](CCNC(=O)C[C@H]1CC[N@@H+](C)C1)CC(=O)NC(N)=O ZINC001420335933 890428651 /nfs/dbraw/zinc/42/86/51/890428651.db2.gz XOIJKVDLBLOZPG-SNVBAGLBSA-N 2 1 299.375 -1.429 20 0 CAADMP C[N@H+](CCNC(=O)C[C@@H]1CC[NH+](C)C1)CC(=O)NC(N)=O ZINC001420335932 890429081 /nfs/dbraw/zinc/42/90/81/890429081.db2.gz XOIJKVDLBLOZPG-JTQLQIEISA-N 2 1 299.375 -1.429 20 0 CAADMP C[N@@H+](CCNC(=O)C[C@@H]1CC[NH+](C)C1)CC(=O)NC(N)=O ZINC001420335932 890429085 /nfs/dbraw/zinc/42/90/85/890429085.db2.gz XOIJKVDLBLOZPG-JTQLQIEISA-N 2 1 299.375 -1.429 20 0 CAADMP C[NH+](CCNC(=O)C[C@@H]1CC[N@H+](C)C1)CC(=O)NC(N)=O ZINC001420335932 890429091 /nfs/dbraw/zinc/42/90/91/890429091.db2.gz XOIJKVDLBLOZPG-JTQLQIEISA-N 2 1 299.375 -1.429 20 0 CAADMP C[NH+](CCNC(=O)C[C@@H]1CC[N@@H+](C)C1)CC(=O)NC(N)=O ZINC001420335932 890429096 /nfs/dbraw/zinc/42/90/96/890429096.db2.gz XOIJKVDLBLOZPG-JTQLQIEISA-N 2 1 299.375 -1.429 20 0 CAADMP C[C@H](C[NH2+][C@@H](C)C(N)=O)NC(=O)CC[NH+]1CCOCC1 ZINC001420336483 890429561 /nfs/dbraw/zinc/42/95/61/890429561.db2.gz CMSSFPTVNRZQRY-MNOVXSKESA-N 2 1 286.376 -1.323 20 0 CAADMP C[C@H](C[NH2+]CC(=O)NC(N)=O)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001420371641 890436444 /nfs/dbraw/zinc/43/64/44/890436444.db2.gz NNTQZDJXURMTQP-RKDXNWHRSA-N 2 1 285.348 -1.773 20 0 CAADMP C[C@H](C[NH2+]CC(=O)NC(N)=O)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001420371637 890437250 /nfs/dbraw/zinc/43/72/50/890437250.db2.gz NNTQZDJXURMTQP-BDAKNGLRSA-N 2 1 285.348 -1.773 20 0 CAADMP COC[C@@H](O)C[NH+]1CC(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001421184503 890492038 /nfs/dbraw/zinc/49/20/38/890492038.db2.gz COFLHCHGJWJNFD-STQMWFEESA-N 2 1 285.388 -1.007 20 0 CAADMP CC[C@H](C(=O)NC[C@@]1(O)CC[N@H+](CC(N)=O)C1)[NH+](C)C ZINC001421361514 890500021 /nfs/dbraw/zinc/50/00/21/890500021.db2.gz ODBPHANADIYTKW-MFKMUULPSA-N 2 1 286.376 -1.635 20 0 CAADMP CC[C@H](C(=O)NC[C@@]1(O)CC[N@@H+](CC(N)=O)C1)[NH+](C)C ZINC001421361514 890500026 /nfs/dbraw/zinc/50/00/26/890500026.db2.gz ODBPHANADIYTKW-MFKMUULPSA-N 2 1 286.376 -1.635 20 0 CAADMP C[NH+](C)CCCC(=O)NC[C@]1(O)CC[N@H+](CC(N)=O)C1 ZINC001421375251 890502769 /nfs/dbraw/zinc/50/27/69/890502769.db2.gz JWJGNZXYAGFKTA-CYBMUJFWSA-N 2 1 286.376 -1.634 20 0 CAADMP C[NH+](C)CCCC(=O)NC[C@]1(O)CC[N@@H+](CC(N)=O)C1 ZINC001421375251 890502778 /nfs/dbraw/zinc/50/27/78/890502778.db2.gz JWJGNZXYAGFKTA-CYBMUJFWSA-N 2 1 286.376 -1.634 20 0 CAADMP CC[N@@H+]1CCO[C@H](C(=O)NC[C@H](C)C[NH2+]CC(N)=O)C1 ZINC001421763281 890531112 /nfs/dbraw/zinc/53/11/12/890531112.db2.gz DWMYBOWZVFLTJK-MNOVXSKESA-N 2 1 286.376 -1.466 20 0 CAADMP CC[N@H+]1CCO[C@H](C(=O)NC[C@H](C)C[NH2+]CC(N)=O)C1 ZINC001421763281 890531123 /nfs/dbraw/zinc/53/11/23/890531123.db2.gz DWMYBOWZVFLTJK-MNOVXSKESA-N 2 1 286.376 -1.466 20 0 CAADMP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@@H](C)C[NH2+]CC(N)=O)C1 ZINC001421763283 890532748 /nfs/dbraw/zinc/53/27/48/890532748.db2.gz DWMYBOWZVFLTJK-WDEREUQCSA-N 2 1 286.376 -1.466 20 0 CAADMP CC[N@H+]1CCO[C@@H](C(=O)NC[C@@H](C)C[NH2+]CC(N)=O)C1 ZINC001421763283 890532761 /nfs/dbraw/zinc/53/27/61/890532761.db2.gz DWMYBOWZVFLTJK-WDEREUQCSA-N 2 1 286.376 -1.466 20 0 CAADMP C[N@H+]1CCC[C@H]1C(=O)NC[C@@H](O)C[NH2+]CC(=O)N1CCC1 ZINC001422271386 890561009 /nfs/dbraw/zinc/56/10/09/890561009.db2.gz ZSLIYUAZSJZPER-RYUDHWBXSA-N 2 1 298.387 -1.620 20 0 CAADMP CNC(=O)[C@@H](C)[NH2+]C[C@H](O)CNC(=O)Cn1c[nH+]cc1C ZINC001422334522 890576729 /nfs/dbraw/zinc/57/67/29/890576729.db2.gz SLPYEDSGSPYJLD-MNOVXSKESA-N 2 1 297.359 -1.607 20 0 CAADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@H](O)C[NH2+]CC(N)=O ZINC001422319507 890577570 /nfs/dbraw/zinc/57/75/70/890577570.db2.gz LACYHIBNIFZZPC-GHMZBOCLSA-N 2 1 286.376 -1.587 20 0 CAADMP CNC(=O)[C@H](C)[NH2+]C[C@H](O)CNC(=O)Cn1c[nH+]cc1C ZINC001422334523 890578098 /nfs/dbraw/zinc/57/80/98/890578098.db2.gz SLPYEDSGSPYJLD-QWRGUYRKSA-N 2 1 297.359 -1.607 20 0 CAADMP NC(=O)C[NH2+]C[C@H](O)CNC(=O)CC[NH+]1CCOCC1 ZINC001422372931 890583507 /nfs/dbraw/zinc/58/35/07/890583507.db2.gz NQWOCMPWETVOSJ-JTQLQIEISA-N 2 1 288.348 -2.739 20 0 CAADMP C[N@H+]1CC[C@H](CC(=O)NC[C@@H](O)C[NH2+]CC(N)=O)C1 ZINC001422400882 890586826 /nfs/dbraw/zinc/58/68/26/890586826.db2.gz PSZACIDSZALDSO-ZJUUUORDSA-N 2 1 272.349 -2.120 20 0 CAADMP Cn1cc(C[NH2+]C[C@H](O)CNC(=O)C[NH+]2CCCC2)nn1 ZINC001422401920 890593205 /nfs/dbraw/zinc/59/32/05/890593205.db2.gz HPVCPEQROHTCRS-LBPRGKRZSA-N 2 1 296.375 -1.522 20 0 CAADMP CNC(=O)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001422890282 890616113 /nfs/dbraw/zinc/61/61/13/890616113.db2.gz NHJGHWCMUANISE-IJLUTSLNSA-N 2 1 298.387 -1.453 20 0 CAADMP CNC(=O)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001422890282 890616119 /nfs/dbraw/zinc/61/61/19/890616119.db2.gz NHJGHWCMUANISE-IJLUTSLNSA-N 2 1 298.387 -1.453 20 0 CAADMP CNC(=O)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001422890288 890617397 /nfs/dbraw/zinc/61/73/97/890617397.db2.gz NHJGHWCMUANISE-SRVKXCTJSA-N 2 1 298.387 -1.453 20 0 CAADMP CNC(=O)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001422890288 890617406 /nfs/dbraw/zinc/61/74/06/890617406.db2.gz NHJGHWCMUANISE-SRVKXCTJSA-N 2 1 298.387 -1.453 20 0 CAADMP Cn1ccc(C[NH2+][C@H](CO)CNC(=O)CC[NH+](C)C)n1 ZINC001423256016 890654828 /nfs/dbraw/zinc/65/48/28/890654828.db2.gz DVPKNCROOMXHMA-LBPRGKRZSA-N 2 1 283.376 -1.062 20 0 CAADMP C[C@@H]([NH2+]C1(CNC(=O)CC[NH+]2CCOCC2)CC1)C(N)=O ZINC001423288298 890661231 /nfs/dbraw/zinc/66/12/31/890661231.db2.gz OMCJWFIJARMPDC-LLVKDONJSA-N 2 1 298.387 -1.179 20 0 CAADMP CNC(=O)C[NH2+][C@H](CO)CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001423297327 890663436 /nfs/dbraw/zinc/66/34/36/890663436.db2.gz OZVDPGHITSKJEP-MNOVXSKESA-N 2 1 286.376 -1.859 20 0 CAADMP CNC(=O)C[NH2+][C@@H](CO)CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001423297329 890663707 /nfs/dbraw/zinc/66/37/07/890663707.db2.gz OZVDPGHITSKJEP-WDEREUQCSA-N 2 1 286.376 -1.859 20 0 CAADMP CNC(=O)C[NH2+][C@H](CO)CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001423297328 890663855 /nfs/dbraw/zinc/66/38/55/890663855.db2.gz OZVDPGHITSKJEP-QWRGUYRKSA-N 2 1 286.376 -1.859 20 0 CAADMP C[C@H](C(N)=O)[N@H+](C)C[C@H](O)CN(C)C(=O)CC[NH+](C)C ZINC001423552287 890684376 /nfs/dbraw/zinc/68/43/76/890684376.db2.gz WDKREOILQPPTCP-MNOVXSKESA-N 2 1 288.392 -1.437 20 0 CAADMP C[N@@H+]1CCO[C@H](C(=O)NC[C@@]2(O)CC[NH+](CCO)C2)C1 ZINC001423745324 890692924 /nfs/dbraw/zinc/69/29/24/890692924.db2.gz VELUDJHWZQBBHD-AAEUAGOBSA-N 2 1 287.360 -2.138 20 0 CAADMP C[N@H+]1CCO[C@H](C(=O)NC[C@@]2(O)CC[NH+](CCO)C2)C1 ZINC001423745324 890692932 /nfs/dbraw/zinc/69/29/32/890692932.db2.gz VELUDJHWZQBBHD-AAEUAGOBSA-N 2 1 287.360 -2.138 20 0 CAADMP C[NH+]1CCO[C@H](C(=O)NC[C@@]2(O)CC[N@H+](CCO)C2)C1 ZINC001423745324 890692940 /nfs/dbraw/zinc/69/29/40/890692940.db2.gz VELUDJHWZQBBHD-AAEUAGOBSA-N 2 1 287.360 -2.138 20 0 CAADMP C[NH+]1CCO[C@H](C(=O)NC[C@@]2(O)CC[N@@H+](CCO)C2)C1 ZINC001423745324 890692946 /nfs/dbraw/zinc/69/29/46/890692946.db2.gz VELUDJHWZQBBHD-AAEUAGOBSA-N 2 1 287.360 -2.138 20 0 CAADMP C[N@@H+]1CCO[C@H](C(=O)NC[C@]2(O)CC[NH+](CCO)C2)C1 ZINC001423745327 890693866 /nfs/dbraw/zinc/69/38/66/890693866.db2.gz VELUDJHWZQBBHD-WCQYABFASA-N 2 1 287.360 -2.138 20 0 CAADMP C[N@H+]1CCO[C@H](C(=O)NC[C@]2(O)CC[NH+](CCO)C2)C1 ZINC001423745327 890693872 /nfs/dbraw/zinc/69/38/72/890693872.db2.gz VELUDJHWZQBBHD-WCQYABFASA-N 2 1 287.360 -2.138 20 0 CAADMP C[NH+]1CCC(C(=O)NC[C@@]2(O)CC[N@@H+](CCO)C2)CC1 ZINC001423802659 890697740 /nfs/dbraw/zinc/69/77/40/890697740.db2.gz PQEFQCOIWHCPLW-AWEZNQCLSA-N 2 1 285.388 -1.127 20 0 CAADMP C[C@H](C(N)=O)[N@@H+]1CC[C@@](O)(CNC(=O)CC[NH+](C)C)C1 ZINC001423794925 890698229 /nfs/dbraw/zinc/69/82/29/890698229.db2.gz GWKWMCBLSAEVCC-ZWNOBZJWSA-N 2 1 286.376 -1.635 20 0 CAADMP C[C@H](C(N)=O)[N@H+]1CC[C@@](O)(CNC(=O)CC[NH+](C)C)C1 ZINC001423794925 890698238 /nfs/dbraw/zinc/69/82/38/890698238.db2.gz GWKWMCBLSAEVCC-ZWNOBZJWSA-N 2 1 286.376 -1.635 20 0 CAADMP C[C@H](C(N)=O)[N@@H+]1CC[C@](O)(CNC(=O)CC[NH+](C)C)C1 ZINC001423794921 890698283 /nfs/dbraw/zinc/69/82/83/890698283.db2.gz GWKWMCBLSAEVCC-MFKMUULPSA-N 2 1 286.376 -1.635 20 0 CAADMP C[C@H](C(N)=O)[N@H+]1CC[C@](O)(CNC(=O)CC[NH+](C)C)C1 ZINC001423794921 890698289 /nfs/dbraw/zinc/69/82/89/890698289.db2.gz GWKWMCBLSAEVCC-MFKMUULPSA-N 2 1 286.376 -1.635 20 0 CAADMP C[NH+]1CCC(C(=O)NC[C@]2(O)CC[N@@H+](CCO)C2)CC1 ZINC001423802661 890698659 /nfs/dbraw/zinc/69/86/59/890698659.db2.gz PQEFQCOIWHCPLW-CQSZACIVSA-N 2 1 285.388 -1.127 20 0 CAADMP C[N@H+]1CC[C@@H](C(=O)NC2(C[NH2+]CC(N)=O)CCOCC2)C1 ZINC001424440283 890733395 /nfs/dbraw/zinc/73/33/95/890733395.db2.gz RSVNHFPLIPQKIP-LLVKDONJSA-N 2 1 298.387 -1.322 20 0 CAADMP C[C@H]([NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1)C(N)=O ZINC001425397223 890776918 /nfs/dbraw/zinc/77/69/18/890776918.db2.gz UXWFPCSDFTXDND-BJDJZHNGSA-N 2 1 298.387 -1.325 20 0 CAADMP C[C@H]([NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1)C(N)=O ZINC001425397223 890776930 /nfs/dbraw/zinc/77/69/30/890776930.db2.gz UXWFPCSDFTXDND-BJDJZHNGSA-N 2 1 298.387 -1.325 20 0 CAADMP C[C@H]([NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1)C(N)=O ZINC001425397236 890777236 /nfs/dbraw/zinc/77/72/36/890777236.db2.gz UXWFPCSDFTXDND-FIQHERPVSA-N 2 1 298.387 -1.325 20 0 CAADMP C[C@H]([NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1)C(N)=O ZINC001425397236 890777246 /nfs/dbraw/zinc/77/72/46/890777246.db2.gz UXWFPCSDFTXDND-FIQHERPVSA-N 2 1 298.387 -1.325 20 0 CAADMP C[N@@H+](CC(=O)NC[C@H](CO)[NH2+]CC(N)=O)C1CCC1 ZINC001425756347 890814880 /nfs/dbraw/zinc/81/48/80/890814880.db2.gz WSOVVJSALLNTLJ-SECBINFHSA-N 2 1 272.349 -1.977 20 0 CAADMP CNC(=O)[C@@H](C)[NH2+][C@H](CO)CNC(=O)Cn1c[nH+]cc1C ZINC001425788522 890816574 /nfs/dbraw/zinc/81/65/74/890816574.db2.gz UVZQENCRRVSXAZ-MNOVXSKESA-N 2 1 297.359 -1.607 20 0 CAADMP CNC(=O)[C@H](C)[NH2+][C@@H](CO)CNC(=O)Cn1c[nH+]cc1C ZINC001425788529 890817394 /nfs/dbraw/zinc/81/73/94/890817394.db2.gz UVZQENCRRVSXAZ-WDEREUQCSA-N 2 1 297.359 -1.607 20 0 CAADMP Cc1[nH+]cc2n1C[C@H](C(=O)NC[C@H](CO)[NH2+]CCO)CC2 ZINC001425805911 890820534 /nfs/dbraw/zinc/82/05/34/890820534.db2.gz ZBCSUFHOMZYBTL-VXGBXAGGSA-N 2 1 296.371 -1.187 20 0 CAADMP Cc1c[nH+]cn1CC(=O)N(C)C[C@@H](O)C[N@H+](C)CCO ZINC001426081312 890855065 /nfs/dbraw/zinc/85/50/65/890855065.db2.gz SMGFIKHSRVVZBH-LBPRGKRZSA-N 2 1 284.360 -1.065 20 0 CAADMP Cc1c[nH+]cn1CC(=O)N(C)C[C@@H](O)C[N@@H+](C)CCO ZINC001426081312 890855080 /nfs/dbraw/zinc/85/50/80/890855080.db2.gz SMGFIKHSRVVZBH-LBPRGKRZSA-N 2 1 284.360 -1.065 20 0 CAADMP CNC(=O)[C@H](C)[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001436944650 891158441 /nfs/dbraw/zinc/15/84/41/891158441.db2.gz MADMQABODUMVAE-YFKTTZPYSA-N 2 1 298.387 -1.312 20 0 CAADMP CNC(=O)[C@H](C)[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001436944650 891158446 /nfs/dbraw/zinc/15/84/46/891158446.db2.gz MADMQABODUMVAE-YFKTTZPYSA-N 2 1 298.387 -1.312 20 0 CAADMP C[C@H](CNC(=O)CC[NH+]1CCOCC1)[NH2+][C@H](C)C(N)=O ZINC001437232626 891170327 /nfs/dbraw/zinc/17/03/27/891170327.db2.gz ZWMBCDZLZWPHGJ-GHMZBOCLSA-N 2 1 286.376 -1.323 20 0 CAADMP CNC(=O)[C@@H](C)[NH2+]CCN(C)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001437831101 891191981 /nfs/dbraw/zinc/19/19/81/891191981.db2.gz PBOOOZUIHKNOPF-MNOVXSKESA-N 2 1 286.376 -1.501 20 0 CAADMP CNC(=O)[C@@H](C)[NH2+]CCN(C)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001437831101 891191992 /nfs/dbraw/zinc/19/19/92/891191992.db2.gz PBOOOZUIHKNOPF-MNOVXSKESA-N 2 1 286.376 -1.501 20 0 CAADMP CNC(=O)[C@H](C)[NH2+]CCN(C)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001437831105 891192268 /nfs/dbraw/zinc/19/22/68/891192268.db2.gz PBOOOZUIHKNOPF-QWRGUYRKSA-N 2 1 286.376 -1.501 20 0 CAADMP CNC(=O)[C@H](C)[NH2+]CCN(C)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001437831105 891192276 /nfs/dbraw/zinc/19/22/76/891192276.db2.gz PBOOOZUIHKNOPF-QWRGUYRKSA-N 2 1 286.376 -1.501 20 0 CAADMP CNC(=O)[C@@H](C)[NH2+]CCN(C)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001437831081 891192640 /nfs/dbraw/zinc/19/26/40/891192640.db2.gz PBOOOZUIHKNOPF-GHMZBOCLSA-N 2 1 286.376 -1.501 20 0 CAADMP CNC(=O)[C@@H](C)[NH2+]CCN(C)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001437831081 891192647 /nfs/dbraw/zinc/19/26/47/891192647.db2.gz PBOOOZUIHKNOPF-GHMZBOCLSA-N 2 1 286.376 -1.501 20 0 CAADMP C[N@H+]1CCC[C@H]1C(=O)NC[C@H](O)C[NH2+]CC(=O)NC1CC1 ZINC001438986948 891256258 /nfs/dbraw/zinc/25/62/58/891256258.db2.gz UEWAKWVGFJDEGQ-NEPJUHHUSA-N 2 1 298.387 -1.574 20 0 CAADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@H](O)C[NH2+]CC(N)=O ZINC001438996510 891260616 /nfs/dbraw/zinc/26/06/16/891260616.db2.gz PNVPDSOQRMEJBK-GHMZBOCLSA-N 2 1 286.376 -1.589 20 0 CAADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](O)C[NH2+]CC(N)=O ZINC001438996518 891260677 /nfs/dbraw/zinc/26/06/77/891260677.db2.gz PNVPDSOQRMEJBK-WDEREUQCSA-N 2 1 286.376 -1.589 20 0 CAADMP C[N@H+]1CCCC[C@@H]1C(=O)NC[C@H](O)C[NH2+]CC(N)=O ZINC001438997945 891261733 /nfs/dbraw/zinc/26/17/33/891261733.db2.gz IJQVWIYBPGQZNY-NXEZZACHSA-N 2 1 272.349 -1.977 20 0 CAADMP CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001439019432 891264700 /nfs/dbraw/zinc/26/47/00/891264700.db2.gz XHAZRBPGXNLIOP-WDEREUQCSA-N 2 1 286.376 -1.717 20 0 CAADMP Cn1cnnc1C[NH2+]C[C@H](O)CNC(=O)CC[NH+](C)C ZINC001439022690 891271051 /nfs/dbraw/zinc/27/10/51/891271051.db2.gz FHPXKSYSIVIYDZ-JTQLQIEISA-N 2 1 284.364 -1.667 20 0 CAADMP C[C@H]([NH2+]C[C@@H](O)CNC(=O)CC[NH+](C)C)c1nnnn1C ZINC001439026881 891271512 /nfs/dbraw/zinc/27/15/12/891271512.db2.gz PJSGADABOOTVHB-VHSXEESVSA-N 2 1 299.379 -1.711 20 0 CAADMP C[N@@H+]1CC[C@@H](C(=O)NC[C@@H](O)C[NH2+]Cc2cnon2)C1 ZINC001439041491 891276258 /nfs/dbraw/zinc/27/62/58/891276258.db2.gz GJUDXQZGOVTKFR-KOLCDFICSA-N 2 1 283.332 -1.412 20 0 CAADMP C[N@H+]1CC[C@@H](C(=O)NC[C@@H](O)C[NH2+]Cc2cnon2)C1 ZINC001439041491 891276272 /nfs/dbraw/zinc/27/62/72/891276272.db2.gz GJUDXQZGOVTKFR-KOLCDFICSA-N 2 1 283.332 -1.412 20 0 CAADMP CNC(=O)[C@@H](C)[NH2+]C[C@@H](O)CNC(=O)Cn1cc[nH+]c1C ZINC001439061853 891276857 /nfs/dbraw/zinc/27/68/57/891276857.db2.gz SLTBIQNXSQKWCB-MWLCHTKSSA-N 2 1 297.359 -1.607 20 0 CAADMP CC(C)[N@@H+](C)CC(=O)NC[C@H](O)C[NH2+][C@H](C)C(N)=O ZINC001439060547 891277132 /nfs/dbraw/zinc/27/71/32/891277132.db2.gz UZPGNIYJMMLCTR-NXEZZACHSA-N 2 1 274.365 -1.733 20 0 CAADMP CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)Cn1cc[nH+]c1C ZINC001439052350 891277703 /nfs/dbraw/zinc/27/77/03/891277703.db2.gz GRDBKLXNOKDOTH-NSHDSACASA-N 2 1 297.359 -1.606 20 0 CAADMP CC(C)[N@H+](C)CC(=O)NC[C@H](O)C[NH2+]Cc1cn(C)nn1 ZINC001439050077 891280522 /nfs/dbraw/zinc/28/05/22/891280522.db2.gz DELNHLRGTCFZKP-GFCCVEGCSA-N 2 1 298.391 -1.278 20 0 CAADMP CC(C)[N@@H+](C)CC(=O)NC[C@H](O)C[NH2+]Cc1cn(C)nn1 ZINC001439050077 891280542 /nfs/dbraw/zinc/28/05/42/891280542.db2.gz DELNHLRGTCFZKP-GFCCVEGCSA-N 2 1 298.391 -1.278 20 0 CAADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H](C)C[NH2+]CC(N)=O)C1 ZINC001439292927 891300382 /nfs/dbraw/zinc/30/03/82/891300382.db2.gz IYMVUPDSLGEMOQ-VHSXEESVSA-N 2 1 272.349 -1.713 20 0 CAADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H](C)C[NH2+]CC(N)=O)C1 ZINC001439292927 891300385 /nfs/dbraw/zinc/30/03/85/891300385.db2.gz IYMVUPDSLGEMOQ-VHSXEESVSA-N 2 1 272.349 -1.713 20 0 CAADMP CNC(=O)C[NH2+]C[C@H](C)NC(=O)CC[NH+]1CCOCC1 ZINC001439261667 891300417 /nfs/dbraw/zinc/30/04/17/891300417.db2.gz HPZCBZIWKQTSFG-NSHDSACASA-N 2 1 286.376 -1.451 20 0 CAADMP C[NH+](C)C1(C(=O)NC[C@@]2(O)CC[N@H+](CC(N)=O)C2)CCC1 ZINC001439986817 891337623 /nfs/dbraw/zinc/33/76/23/891337623.db2.gz FEGZCSCSZQFYHF-ZDUSSCGKSA-N 2 1 298.387 -1.491 20 0 CAADMP C[NH+](C)C1(C(=O)NC[C@@]2(O)CC[N@@H+](CC(N)=O)C2)CCC1 ZINC001439986817 891337639 /nfs/dbraw/zinc/33/76/39/891337639.db2.gz FEGZCSCSZQFYHF-ZDUSSCGKSA-N 2 1 298.387 -1.491 20 0 CAADMP CNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)CC[NH+](C)C)C1 ZINC001440011126 891344120 /nfs/dbraw/zinc/34/41/20/891344120.db2.gz PKQOGHOUCXWZOR-ZDUSSCGKSA-N 2 1 286.376 -1.763 20 0 CAADMP CNC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)CC[NH+](C)C)C1 ZINC001440011126 891344105 /nfs/dbraw/zinc/34/41/05/891344105.db2.gz PKQOGHOUCXWZOR-ZDUSSCGKSA-N 2 1 286.376 -1.763 20 0 CAADMP C[NH+](C)CCC(=O)NC[C@@]1(O)CC[N@@H+](CCCO)C1 ZINC001440009426 891344328 /nfs/dbraw/zinc/34/43/28/891344328.db2.gz KZKBTLCSMCKDMT-ZDUSSCGKSA-N 2 1 273.377 -1.127 20 0 CAADMP CC[N@H+](C)CCC(=O)NC[C@]1(O)CC[NH+](CC(N)=O)C1 ZINC001440013741 891344732 /nfs/dbraw/zinc/34/47/32/891344732.db2.gz LPASULVGUUPKML-CYBMUJFWSA-N 2 1 286.376 -1.634 20 0 CAADMP CC[N@@H+](C)CCC(=O)NC[C@]1(O)CC[NH+](CC(N)=O)C1 ZINC001440013741 891344749 /nfs/dbraw/zinc/34/47/49/891344749.db2.gz LPASULVGUUPKML-CYBMUJFWSA-N 2 1 286.376 -1.634 20 0 CAADMP CC[NH+](C)CCC(=O)NC[C@]1(O)CC[N@H+](CC(N)=O)C1 ZINC001440013741 891344767 /nfs/dbraw/zinc/34/47/67/891344767.db2.gz LPASULVGUUPKML-CYBMUJFWSA-N 2 1 286.376 -1.634 20 0 CAADMP CC[NH+](C)CCC(=O)NC[C@]1(O)CC[N@@H+](CC(N)=O)C1 ZINC001440013741 891344784 /nfs/dbraw/zinc/34/47/84/891344784.db2.gz LPASULVGUUPKML-CYBMUJFWSA-N 2 1 286.376 -1.634 20 0 CAADMP C[N@H+]1CC[C@H](C(=O)N[C@]2(CO)CCC[NH+](CCO)C2)C1 ZINC001440186134 891356185 /nfs/dbraw/zinc/35/61/85/891356185.db2.gz BBHNQSQBURLUQG-GXTWGEPZSA-N 2 1 285.388 -1.127 20 0 CAADMP C[NH+]1CC[C@H](C(=O)N[C@]2(CO)CCC[N@H+](CCO)C2)C1 ZINC001440186134 891356201 /nfs/dbraw/zinc/35/62/01/891356201.db2.gz BBHNQSQBURLUQG-GXTWGEPZSA-N 2 1 285.388 -1.127 20 0 CAADMP C[NH+]1CC[C@H](C(=O)N[C@]2(CO)CCC[N@@H+](CCO)C2)C1 ZINC001440186134 891356214 /nfs/dbraw/zinc/35/62/14/891356214.db2.gz BBHNQSQBURLUQG-GXTWGEPZSA-N 2 1 285.388 -1.127 20 0 CAADMP CNC(=O)C[NH2+]C[C@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)CCO1 ZINC001440375742 891370037 /nfs/dbraw/zinc/37/00/37/891370037.db2.gz MSFYEIBYPNYQSP-NWDGAFQWSA-N 2 1 298.387 -1.356 20 0 CAADMP C[N@H+]1CC[C@H](C(=O)N2CCC[C@@](CO)([NH2+]CC(N)=O)C2)C1 ZINC001440554598 891375367 /nfs/dbraw/zinc/37/53/67/891375367.db2.gz NEEMZRKFAJMHDR-SMDDNHRTSA-N 2 1 298.387 -1.634 20 0 CAADMP NC(=O)C[NH2+]C[C@H]1C[C@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001441369758 891410712 /nfs/dbraw/zinc/41/07/12/891410712.db2.gz OISYUURSZJZJLE-HAQNSBGRSA-N 2 1 298.387 -1.322 20 0 CAADMP C[C@H](CN(C)C(=O)[C@H]1C[N@H+](C)CCO1)[NH2+]CC(N)=O ZINC001441500785 891413144 /nfs/dbraw/zinc/41/31/44/891413144.db2.gz JRUVSBCKEAXWNL-NXEZZACHSA-N 2 1 272.349 -1.761 20 0 CAADMP C[C@H](CN(C)C(=O)[C@H]1C[N@@H+](C)CCO1)[NH2+]CC(N)=O ZINC001441500785 891413148 /nfs/dbraw/zinc/41/31/48/891413148.db2.gz JRUVSBCKEAXWNL-NXEZZACHSA-N 2 1 272.349 -1.761 20 0 CAADMP C[C@@H](CN(C)C(=O)[C@@H]1C[N@H+](C)CCO1)[NH2+]CC(N)=O ZINC001441500809 891413490 /nfs/dbraw/zinc/41/34/90/891413490.db2.gz JRUVSBCKEAXWNL-UWVGGRQHSA-N 2 1 272.349 -1.761 20 0 CAADMP C[C@@H](CN(C)C(=O)[C@@H]1C[N@@H+](C)CCO1)[NH2+]CC(N)=O ZINC001441500809 891413497 /nfs/dbraw/zinc/41/34/97/891413497.db2.gz JRUVSBCKEAXWNL-UWVGGRQHSA-N 2 1 272.349 -1.761 20 0 CAADMP C[C@H](CN(C)C(=O)[C@@H]1C[N@H+](C)CCO1)[NH2+]CC(N)=O ZINC001441500819 891413537 /nfs/dbraw/zinc/41/35/37/891413537.db2.gz JRUVSBCKEAXWNL-ZJUUUORDSA-N 2 1 272.349 -1.761 20 0 CAADMP C[C@H](CN(C)C(=O)[C@@H]1C[N@@H+](C)CCO1)[NH2+]CC(N)=O ZINC001441500819 891413545 /nfs/dbraw/zinc/41/35/45/891413545.db2.gz JRUVSBCKEAXWNL-ZJUUUORDSA-N 2 1 272.349 -1.761 20 0 CAADMP C[C@@H](CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1)[NH2+]CC(=O)NC(N)=O ZINC001441661075 891422793 /nfs/dbraw/zinc/42/27/93/891422793.db2.gz SKCKUPYARDICSN-VHSXEESVSA-N 2 1 299.375 -1.431 20 0 CAADMP C[N@H+]1CCC[C@H]1C(=O)NC[C@H](CO)[NH2+]CCn1cncn1 ZINC001441677551 891427680 /nfs/dbraw/zinc/42/76/80/891427680.db2.gz FNZSMTPKUPRXEO-NEPJUHHUSA-N 2 1 296.375 -1.561 20 0 CAADMP C[C@@H]([NH2+][C@H](CO)CNC(=O)C12CCC[NH+]1CCC2)C(N)=O ZINC001441717898 891437740 /nfs/dbraw/zinc/43/77/40/891437740.db2.gz WAEHCEXJGPVPHE-MNOVXSKESA-N 2 1 298.387 -1.445 20 0 CAADMP CNC(=O)C[NH2+][C@@H](CO)CNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001441746222 891442783 /nfs/dbraw/zinc/44/27/83/891442783.db2.gz CUYRJUXSQJYKJP-GHMZBOCLSA-N 2 1 286.376 -1.859 20 0 CAADMP CNC(=O)C[NH2+][C@@H](CO)CNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001441746222 891442802 /nfs/dbraw/zinc/44/28/02/891442802.db2.gz CUYRJUXSQJYKJP-GHMZBOCLSA-N 2 1 286.376 -1.859 20 0 CAADMP CC[C@@H]([NH2+][C@H](CO)CNC(=O)Cn1cc[nH+]c1C)C(N)=O ZINC001441791846 891453810 /nfs/dbraw/zinc/45/38/10/891453810.db2.gz LQABROKQZXPDJC-WDEREUQCSA-N 2 1 297.359 -1.478 20 0 CAADMP CC[C@H]([NH2+][C@H](CO)CNC(=O)Cn1cc[nH+]c1C)C(N)=O ZINC001441791845 891454405 /nfs/dbraw/zinc/45/44/05/891454405.db2.gz LQABROKQZXPDJC-QWRGUYRKSA-N 2 1 297.359 -1.478 20 0 CAADMP Cn1nncc1C[NH2+][C@H](CO)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001441803701 891454793 /nfs/dbraw/zinc/45/47/93/891454793.db2.gz WHYWBPWEXCYYDN-QWRGUYRKSA-N 2 1 296.375 -1.667 20 0 CAADMP Cn1nncc1C[NH2+][C@H](CO)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001441803701 891454795 /nfs/dbraw/zinc/45/47/95/891454795.db2.gz WHYWBPWEXCYYDN-QWRGUYRKSA-N 2 1 296.375 -1.667 20 0 CAADMP C[C@H](CNC(=O)[C@@H]1CCC[N@H+]1C)[NH2+]CC(=O)NC(N)=O ZINC001441795614 891455433 /nfs/dbraw/zinc/45/54/33/891455433.db2.gz XAPDEZQJJBADRO-BDAKNGLRSA-N 2 1 285.348 -1.630 20 0 CAADMP CC[C@H]([NH2+][C@@H](CO)CNC(=O)Cn1cc[nH+]c1C)C(N)=O ZINC001441791844 891455569 /nfs/dbraw/zinc/45/55/69/891455569.db2.gz LQABROKQZXPDJC-MNOVXSKESA-N 2 1 297.359 -1.478 20 0 CAADMP C[C@H](CNC(=O)[C@H]1CCCC[N@H+]1C)[NH2+]CC(=O)NC(N)=O ZINC001441852721 891459102 /nfs/dbraw/zinc/45/91/02/891459102.db2.gz LYDWDBTYLPDQTI-NXEZZACHSA-N 2 1 299.375 -1.240 20 0 CAADMP C[C@H](CNC(=O)C[N@H+]1CC[C@@H](C)C1)[NH2+]CC(=O)NC(N)=O ZINC001441942480 891465120 /nfs/dbraw/zinc/46/51/20/891465120.db2.gz CJUROZJICNZOMF-NXEZZACHSA-N 2 1 299.375 -1.383 20 0 CAADMP CC[N@@H+](C)CCC(=O)NC[C@@H](C)[NH2+]CC(=O)NC(N)=O ZINC001442010159 891475380 /nfs/dbraw/zinc/47/53/80/891475380.db2.gz PKYHQOPUNGOUOQ-SECBINFHSA-N 2 1 287.364 -1.383 20 0 CAADMP CCC[N@@H+](C)CC(=O)NC[C@@H](C)[NH2+]CC(=O)NC(N)=O ZINC001442008605 891475440 /nfs/dbraw/zinc/47/54/40/891475440.db2.gz FFUAFCLZEUYFNK-SECBINFHSA-N 2 1 287.364 -1.383 20 0 CAADMP CC[N@H+](C)CCC(=O)NCC[NH+](C)CC(=O)NC(N)=O ZINC001442565444 891498621 /nfs/dbraw/zinc/49/86/21/891498621.db2.gz DRSDUZOLZORCKJ-UHFFFAOYSA-N 2 1 287.364 -1.429 20 0 CAADMP CC[N@@H+](C)CCC(=O)NCC[NH+](C)CC(=O)NC(N)=O ZINC001442565444 891498627 /nfs/dbraw/zinc/49/86/27/891498627.db2.gz DRSDUZOLZORCKJ-UHFFFAOYSA-N 2 1 287.364 -1.429 20 0 CAADMP CC[NH+](C)CCC(=O)NCC[N@H+](C)CC(=O)NC(N)=O ZINC001442565444 891498629 /nfs/dbraw/zinc/49/86/29/891498629.db2.gz DRSDUZOLZORCKJ-UHFFFAOYSA-N 2 1 287.364 -1.429 20 0 CAADMP CC[NH+](C)CCC(=O)NCC[N@@H+](C)CC(=O)NC(N)=O ZINC001442565444 891498639 /nfs/dbraw/zinc/49/86/39/891498639.db2.gz DRSDUZOLZORCKJ-UHFFFAOYSA-N 2 1 287.364 -1.429 20 0 CAADMP CC[N@@H+]1CCO[C@H](C(=O)N(C)CC[NH2+][C@H]2CCNC2=O)C1 ZINC001443102733 891518984 /nfs/dbraw/zinc/51/89/84/891518984.db2.gz QFJLESPARBHOJV-RYUDHWBXSA-N 2 1 298.387 -1.356 20 0 CAADMP CC[N@H+]1CCO[C@H](C(=O)N(C)CC[NH2+][C@H]2CCNC2=O)C1 ZINC001443102733 891518989 /nfs/dbraw/zinc/51/89/89/891518989.db2.gz QFJLESPARBHOJV-RYUDHWBXSA-N 2 1 298.387 -1.356 20 0 CAADMP CNC(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001445162711 891609295 /nfs/dbraw/zinc/60/92/95/891609295.db2.gz SITCSPXUHDYTNM-ZJUUUORDSA-N 2 1 288.348 -2.870 20 0 CAADMP CNC(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001445162711 891609298 /nfs/dbraw/zinc/60/92/98/891609298.db2.gz SITCSPXUHDYTNM-ZJUUUORDSA-N 2 1 288.348 -2.870 20 0 CAADMP COC[C@@H](O)C[NH2+]C[C@@H](C)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001445370019 891632669 /nfs/dbraw/zinc/63/26/69/891632669.db2.gz DRCQFEWMPKGGKG-WOPDTQHZSA-N 2 1 289.376 -1.581 20 0 CAADMP COC[C@@H](O)C[NH2+]C[C@@H](C)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001445370019 891632673 /nfs/dbraw/zinc/63/26/73/891632673.db2.gz DRCQFEWMPKGGKG-WOPDTQHZSA-N 2 1 289.376 -1.581 20 0 CAADMP C[C@@H](C[NH2+]CC(=O)NC(N)=O)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001445532497 891643020 /nfs/dbraw/zinc/64/30/20/891643020.db2.gz QLUXDXXYSKWPHO-IUCAKERBSA-N 2 1 285.348 -1.630 20 0 CAADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H](C[NH2+]CC(N)=O)C2CC2)C1 ZINC001445992278 891659915 /nfs/dbraw/zinc/65/99/15/891659915.db2.gz ZICZTLNVFGIEIQ-RYUDHWBXSA-N 2 1 298.387 -1.323 20 0 CAADMP CC[N@H+]1CCO[C@H](C(=O)N[C@@H](C[NH2+]CC(N)=O)C2CC2)C1 ZINC001445992278 891659919 /nfs/dbraw/zinc/65/99/19/891659919.db2.gz ZICZTLNVFGIEIQ-RYUDHWBXSA-N 2 1 298.387 -1.323 20 0 CAADMP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](CO)[NH2+]CC(N)=O ZINC001448846619 891790237 /nfs/dbraw/zinc/79/02/37/891790237.db2.gz SBRFOGWFGFEZAQ-GHMZBOCLSA-N 2 1 286.376 -1.589 20 0 CAADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@H](CO)[NH2+]CC(N)=O ZINC001448846619 891790254 /nfs/dbraw/zinc/79/02/54/891790254.db2.gz SBRFOGWFGFEZAQ-GHMZBOCLSA-N 2 1 286.376 -1.589 20 0 CAADMP C[N@H+]1CCC[C@@H]1CCC(=O)NC[C@@H](CO)[NH2+]CC(N)=O ZINC001448860875 891796025 /nfs/dbraw/zinc/79/60/25/891796025.db2.gz FAQNBYAZXZSQGM-WDEREUQCSA-N 2 1 286.376 -1.587 20 0 CAADMP C[N@H+]1CCC[C@H]1CCC(=O)NC[C@@H](CO)[NH2+]CCO ZINC001448871824 891798040 /nfs/dbraw/zinc/79/80/40/891798040.db2.gz WPLCTNGXEMADHK-RYUDHWBXSA-N 2 1 273.377 -1.080 20 0 CAADMP C[N@H+]1CCC[C@@H]1CCC(=O)NC[C@@H](CO)[NH2+]CCO ZINC001448871819 891798684 /nfs/dbraw/zinc/79/86/84/891798684.db2.gz WPLCTNGXEMADHK-NWDGAFQWSA-N 2 1 273.377 -1.080 20 0 CAADMP C[N@H+]1CC[C@@H](C(=O)NC[C@H](CO)[NH2+]CCn2cccn2)C1 ZINC001448949467 891814616 /nfs/dbraw/zinc/81/46/16/891814616.db2.gz GBDQIIAOUDBCOP-CHWSQXEVSA-N 2 1 295.387 -1.099 20 0 CAADMP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@@H](CO)[NH2+]CCO)C1 ZINC001448949598 891815621 /nfs/dbraw/zinc/81/56/21/891815621.db2.gz IXTNSVJRUPEBIX-WDEREUQCSA-N 2 1 275.349 -2.234 20 0 CAADMP CC[N@H+]1CCO[C@@H](C(=O)NC[C@@H](CO)[NH2+]CCO)C1 ZINC001448949598 891815629 /nfs/dbraw/zinc/81/56/29/891815629.db2.gz IXTNSVJRUPEBIX-WDEREUQCSA-N 2 1 275.349 -2.234 20 0 CAADMP C[C@H]1CC[N@@H+](CC(=O)N(C)C[C@H](O)C[NH2+]CC(N)=O)C1 ZINC001449163377 891836000 /nfs/dbraw/zinc/83/60/00/891836000.db2.gz UNHZZTSHSDRMSW-WDEREUQCSA-N 2 1 286.376 -1.778 20 0 CAADMP CN(C[C@H](O)C[NH2+]CC(N)=O)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001449166356 891839536 /nfs/dbraw/zinc/83/95/36/891839536.db2.gz WCWMZJUKUBBQBJ-GHMZBOCLSA-N 2 1 286.376 -1.778 20 0 CAADMP CN(C[C@@H](O)C[N@H+](C)CC(N)=O)C(=O)CC[NH+](C)C ZINC001449218208 891840946 /nfs/dbraw/zinc/84/09/46/891840946.db2.gz QCNNGHBTZDQYPB-JTQLQIEISA-N 2 1 274.365 -1.826 20 0 CAADMP CN(C[C@@H](O)C[N@@H+](C)CC(N)=O)C(=O)CC[NH+](C)C ZINC001449218208 891840957 /nfs/dbraw/zinc/84/09/57/891840957.db2.gz QCNNGHBTZDQYPB-JTQLQIEISA-N 2 1 274.365 -1.826 20 0 CAADMP CN(C[C@H](O)C[N@@H+](C)CCO)C(=O)[C@H]1CC[NH+](C)C1 ZINC001449249315 891841448 /nfs/dbraw/zinc/84/14/48/891841448.db2.gz UUOPROBAVZCHFP-NWDGAFQWSA-N 2 1 273.377 -1.319 20 0 CAADMP CN(C[C@H](O)C[NH+](C)CCO)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001449249315 891841457 /nfs/dbraw/zinc/84/14/57/891841457.db2.gz UUOPROBAVZCHFP-NWDGAFQWSA-N 2 1 273.377 -1.319 20 0 CAADMP CN(C[C@H](O)C[NH+](C)CCO)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001449249315 891841467 /nfs/dbraw/zinc/84/14/67/891841467.db2.gz UUOPROBAVZCHFP-NWDGAFQWSA-N 2 1 273.377 -1.319 20 0 CAADMP CN(C[C@@H](O)C[N@@H+](C)CCO)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001449249310 891844155 /nfs/dbraw/zinc/84/41/55/891844155.db2.gz UUOPROBAVZCHFP-NEPJUHHUSA-N 2 1 273.377 -1.319 20 0 CAADMP CN(C[C@@H](O)C[NH+](C)CCO)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001449249310 891844165 /nfs/dbraw/zinc/84/41/65/891844165.db2.gz UUOPROBAVZCHFP-NEPJUHHUSA-N 2 1 273.377 -1.319 20 0 CAADMP CN(C[C@@H](O)C[NH+](C)CCO)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001449249310 891844173 /nfs/dbraw/zinc/84/41/73/891844173.db2.gz UUOPROBAVZCHFP-NEPJUHHUSA-N 2 1 273.377 -1.319 20 0 CAADMP CC(C)[N@@H+](C)CC(=O)N(C)C[C@H](O)C[NH2+][C@@H](C)C(N)=O ZINC001449201961 891845632 /nfs/dbraw/zinc/84/56/32/891845632.db2.gz ZMOMGBLWKXTBFE-WDEREUQCSA-N 2 1 288.392 -1.391 20 0 CAADMP CN(C(=O)CC[NH+]1CCOCC1)C1CC([NH2+]CC(N)=O)C1 ZINC001449382695 891849903 /nfs/dbraw/zinc/84/99/03/891849903.db2.gz AYWRWWVJQJYVPV-UHFFFAOYSA-N 2 1 298.387 -1.227 20 0 CAADMP C[N@H+]1C[C@@H](O)C[C@@]1(C)C(=O)N1CC([NH2+]C2COC2)C1 ZINC001456528802 892081679 /nfs/dbraw/zinc/08/16/79/892081679.db2.gz ZWAHJJYJPYYAIZ-AAEUAGOBSA-N 2 1 269.345 -1.359 20 0 CAADMP C[N@@H+]1C[C@@H](O)C[C@@]1(C)C(=O)N1CC([NH2+]C2COC2)C1 ZINC001456528802 892081658 /nfs/dbraw/zinc/08/16/58/892081658.db2.gz ZWAHJJYJPYYAIZ-AAEUAGOBSA-N 2 1 269.345 -1.359 20 0 CAADMP C[N@@H+]1C[C@H](O)C[C@]1(C)C(=O)N1CC([NH2+]C2COC2)C1 ZINC001456528808 892081785 /nfs/dbraw/zinc/08/17/85/892081785.db2.gz ZWAHJJYJPYYAIZ-DGCLKSJQSA-N 2 1 269.345 -1.359 20 0 CAADMP C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)N1CC([NH2+]C2COC2)C1 ZINC001456528808 892081800 /nfs/dbraw/zinc/08/18/00/892081800.db2.gz ZWAHJJYJPYYAIZ-DGCLKSJQSA-N 2 1 269.345 -1.359 20 0 CAADMP C[NH+]1CCN(CC(=O)N2CC([NH2+][C@H]3CCOC3)C2)CC1 ZINC001458026532 892116026 /nfs/dbraw/zinc/11/60/26/892116026.db2.gz NXMUXZJPGXDNHX-LBPRGKRZSA-N 2 1 282.388 -1.177 20 0 CAADMP CO[C@@H]1C[N@H+](CCC(=O)N2CC[NH+](C)CC2)C[C@H]1O ZINC001460106012 892141639 /nfs/dbraw/zinc/14/16/39/892141639.db2.gz OMKIFFLICORAJA-VXGBXAGGSA-N 2 1 271.361 -1.158 20 0 CAADMP CO[C@@H]1C[N@@H+](CCC(=O)N2CC[NH+](C)CC2)C[C@H]1O ZINC001460106012 892141645 /nfs/dbraw/zinc/14/16/45/892141645.db2.gz OMKIFFLICORAJA-VXGBXAGGSA-N 2 1 271.361 -1.158 20 0 CAADMP CN1CCN(C(=O)CC[N@H+]2CCOC[C@H]2CC(N)=O)CC1 ZINC001460256416 892146481 /nfs/dbraw/zinc/14/64/81/892146481.db2.gz WECMBBSQVSNGFZ-GFCCVEGCSA-N 2 1 298.387 -1.273 20 0 CAADMP CN1CCN(C(=O)CCN2CCOC[C@H]2CC(N)=O)CC1 ZINC001460256416 892146487 /nfs/dbraw/zinc/14/64/87/892146487.db2.gz WECMBBSQVSNGFZ-GFCCVEGCSA-N 2 1 298.387 -1.273 20 0 CAADMP CC[N@H+](C)C[C@H](O)C[NH+]1C[C@H](C(N)=O)[C@H](C(N)=O)C1 ZINC001460431039 892147962 /nfs/dbraw/zinc/14/79/62/892147962.db2.gz IUJWMJOAKXXRMJ-LPEHRKFASA-N 2 1 272.349 -2.182 20 0 CAADMP CC[N@@H+](C)C[C@H](O)C[NH+]1C[C@H](C(N)=O)[C@H](C(N)=O)C1 ZINC001460431039 892147968 /nfs/dbraw/zinc/14/79/68/892147968.db2.gz IUJWMJOAKXXRMJ-LPEHRKFASA-N 2 1 272.349 -2.182 20 0 CAADMP CC[NH+](C)C[C@H](O)C[N@@H+]1C[C@H](C(N)=O)[C@H](C(N)=O)C1 ZINC001460431039 892147978 /nfs/dbraw/zinc/14/79/78/892147978.db2.gz IUJWMJOAKXXRMJ-LPEHRKFASA-N 2 1 272.349 -2.182 20 0 CAADMP CC[NH+](C)C[C@H](O)C[N@H+]1C[C@H](C(N)=O)[C@H](C(N)=O)C1 ZINC001460431039 892147982 /nfs/dbraw/zinc/14/79/82/892147982.db2.gz IUJWMJOAKXXRMJ-LPEHRKFASA-N 2 1 272.349 -2.182 20 0 CAADMP O=C(NCC[NH+]1CCC(O)CC1)[C@H]1C[N@H+]2CCN1CCC2 ZINC001472563005 892403143 /nfs/dbraw/zinc/40/31/43/892403143.db2.gz AOQFUKYPOZCXJL-CQSZACIVSA-N 2 1 296.415 -1.051 20 0 CAADMP C[NH+]1CCC(NC(=O)C[NH+]2CCC(O)(C(N)=O)CC2)CC1 ZINC001473468975 892415681 /nfs/dbraw/zinc/41/56/81/892415681.db2.gz VNGMLPKVZHTDLX-UHFFFAOYSA-N 2 1 298.387 -1.491 20 0 CAADMP CN1CCN(C(=O)CC[N@H+]2C[C@H](O)[C@@H](CO)C2)CC1 ZINC001473538301 892419123 /nfs/dbraw/zinc/41/91/23/892419123.db2.gz LUCFCOOWZMSVHW-NEPJUHHUSA-N 2 1 271.361 -1.565 20 0 CAADMP C[NH+]1CCN(C(=O)CC[N@@H+]2C[C@H](O)[C@@H](CO)C2)CC1 ZINC001473538301 892419129 /nfs/dbraw/zinc/41/91/29/892419129.db2.gz LUCFCOOWZMSVHW-NEPJUHHUSA-N 2 1 271.361 -1.565 20 0 CAADMP C[NH+]1CCN(C(=O)CC[N@H+]2C[C@H](O)[C@@H](CO)C2)CC1 ZINC001473538301 892419141 /nfs/dbraw/zinc/41/91/41/892419141.db2.gz LUCFCOOWZMSVHW-NEPJUHHUSA-N 2 1 271.361 -1.565 20 0 CAADMP CN1CCN(C(=O)CC[N@@H+]2C[C@H](CO)[C@H](O)C2)CC1 ZINC001473538304 892419325 /nfs/dbraw/zinc/41/93/25/892419325.db2.gz LUCFCOOWZMSVHW-VXGBXAGGSA-N 2 1 271.361 -1.565 20 0 CAADMP C[NH+]1CCN(C(=O)CC[N@H+]2C[C@H](CO)[C@H](O)C2)CC1 ZINC001473538304 892419332 /nfs/dbraw/zinc/41/93/32/892419332.db2.gz LUCFCOOWZMSVHW-VXGBXAGGSA-N 2 1 271.361 -1.565 20 0 CAADMP C[NH+]1CCN(C(=O)CC[N@@H+]2C[C@H](CO)[C@H](O)C2)CC1 ZINC001473538304 892419345 /nfs/dbraw/zinc/41/93/45/892419345.db2.gz LUCFCOOWZMSVHW-VXGBXAGGSA-N 2 1 271.361 -1.565 20 0 CAADMP C[N@H+](CCCNC(=O)[C@H]1C[NH+](C)CCO1)[C@H]1CCNC1=O ZINC001479763553 892481518 /nfs/dbraw/zinc/48/15/18/892481518.db2.gz LSYSAKDSMDONGQ-NWDGAFQWSA-N 2 1 298.387 -1.356 20 0 CAADMP C[N@@H+](CCCNC(=O)[C@H]1C[NH+](C)CCO1)[C@H]1CCNC1=O ZINC001479763553 892481520 /nfs/dbraw/zinc/48/15/20/892481520.db2.gz LSYSAKDSMDONGQ-NWDGAFQWSA-N 2 1 298.387 -1.356 20 0 CAADMP C[NH+](CCCNC(=O)[C@H]1C[N@H+](C)CCO1)[C@H]1CCNC1=O ZINC001479763553 892481522 /nfs/dbraw/zinc/48/15/22/892481522.db2.gz LSYSAKDSMDONGQ-NWDGAFQWSA-N 2 1 298.387 -1.356 20 0 CAADMP C[NH+](CCCNC(=O)[C@H]1C[N@@H+](C)CCO1)[C@H]1CCNC1=O ZINC001479763553 892481525 /nfs/dbraw/zinc/48/15/25/892481525.db2.gz LSYSAKDSMDONGQ-NWDGAFQWSA-N 2 1 298.387 -1.356 20 0 CAADMP C[NH+](CCO)CCCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001479764138 892481701 /nfs/dbraw/zinc/48/17/01/892481701.db2.gz QIWBCPJISRINGX-NSHDSACASA-N 2 1 259.350 -1.253 20 0 CAADMP C[N@H+](CCO)CCCNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001479764138 892481693 /nfs/dbraw/zinc/48/16/93/892481693.db2.gz QIWBCPJISRINGX-NSHDSACASA-N 2 1 259.350 -1.253 20 0 CAADMP C[N@@H+](CCO)CCCNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001479764138 892481696 /nfs/dbraw/zinc/48/16/96/892481696.db2.gz QIWBCPJISRINGX-NSHDSACASA-N 2 1 259.350 -1.253 20 0 CAADMP CN(C)C(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001480198218 892503664 /nfs/dbraw/zinc/50/36/64/892503664.db2.gz HNWSTOJLJWLXKX-TUAOUCFPSA-N 2 1 298.387 -1.358 20 0 CAADMP CN(C)C(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001480198218 892503675 /nfs/dbraw/zinc/50/36/75/892503675.db2.gz HNWSTOJLJWLXKX-TUAOUCFPSA-N 2 1 298.387 -1.358 20 0 CAADMP CN(C)C(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001480198216 892505279 /nfs/dbraw/zinc/50/52/79/892505279.db2.gz HNWSTOJLJWLXKX-GRYCIOLGSA-N 2 1 298.387 -1.358 20 0 CAADMP CN(C)C(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001480198216 892505288 /nfs/dbraw/zinc/50/52/88/892505288.db2.gz HNWSTOJLJWLXKX-GRYCIOLGSA-N 2 1 298.387 -1.358 20 0 CAADMP C[N@@H+]1CCO[C@H](C(=O)N2CC[C@@H](C[NH2+]CCO)C2)C1 ZINC001480640308 892542075 /nfs/dbraw/zinc/54/20/75/892542075.db2.gz YRFPJAZNIOUGIU-RYUDHWBXSA-N 2 1 271.361 -1.253 20 0 CAADMP C[N@H+]1CCO[C@H](C(=O)N2CC[C@@H](C[NH2+]CCO)C2)C1 ZINC001480640308 892542082 /nfs/dbraw/zinc/54/20/82/892542082.db2.gz YRFPJAZNIOUGIU-RYUDHWBXSA-N 2 1 271.361 -1.253 20 0 CAADMP C[N@@H+]1CCO[C@@H](C(=O)N2CC[C@H](C[NH2+]CCO)C2)C1 ZINC001480640309 892542546 /nfs/dbraw/zinc/54/25/46/892542546.db2.gz YRFPJAZNIOUGIU-VXGBXAGGSA-N 2 1 271.361 -1.253 20 0 CAADMP C[N@H+]1CCO[C@@H](C(=O)N2CC[C@H](C[NH2+]CCO)C2)C1 ZINC001480640309 892542551 /nfs/dbraw/zinc/54/25/51/892542551.db2.gz YRFPJAZNIOUGIU-VXGBXAGGSA-N 2 1 271.361 -1.253 20 0 CAADMP C[C@@H](CCNC(=O)[C@H]1C[N@H+](C)CCO1)[NH2+]CCO ZINC001480756857 892543860 /nfs/dbraw/zinc/54/38/60/892543860.db2.gz BVMKGGHGCSTTKB-WDEREUQCSA-N 2 1 259.350 -1.206 20 0 CAADMP C[C@@H](CCNC(=O)[C@H]1C[N@@H+](C)CCO1)[NH2+]CCO ZINC001480756857 892543869 /nfs/dbraw/zinc/54/38/69/892543869.db2.gz BVMKGGHGCSTTKB-WDEREUQCSA-N 2 1 259.350 -1.206 20 0 CAADMP C[C@@H](CCNC(=O)[C@@H]1C[N@H+](C)CCO1)[NH2+]CCO ZINC001480756856 892543941 /nfs/dbraw/zinc/54/39/41/892543941.db2.gz BVMKGGHGCSTTKB-QWRGUYRKSA-N 2 1 259.350 -1.206 20 0 CAADMP C[C@@H](CCNC(=O)[C@@H]1C[N@@H+](C)CCO1)[NH2+]CCO ZINC001480756856 892543951 /nfs/dbraw/zinc/54/39/51/892543951.db2.gz BVMKGGHGCSTTKB-QWRGUYRKSA-N 2 1 259.350 -1.206 20 0 CAADMP CNC(=O)NC(=O)C[N@H+](C)CCNC(=O)CC[NH+](C)C ZINC001480908328 892558177 /nfs/dbraw/zinc/55/81/77/892558177.db2.gz SRLBACFEUPRJFP-UHFFFAOYSA-N 2 1 287.364 -1.558 20 0 CAADMP CNC(=O)NC(=O)C[N@@H+](C)CCNC(=O)CC[NH+](C)C ZINC001480908328 892558180 /nfs/dbraw/zinc/55/81/80/892558180.db2.gz SRLBACFEUPRJFP-UHFFFAOYSA-N 2 1 287.364 -1.558 20 0 CAADMP C[N@H+](CCNC(=O)[C@@H]1CC[NH+](C)C1)[C@H]1CCNC1=O ZINC001480946356 892561633 /nfs/dbraw/zinc/56/16/33/892561633.db2.gz PCXVIFFZQZKJQD-MNOVXSKESA-N 2 1 268.361 -1.125 20 0 CAADMP C[N@@H+](CCNC(=O)[C@@H]1CC[NH+](C)C1)[C@H]1CCNC1=O ZINC001480946356 892561640 /nfs/dbraw/zinc/56/16/40/892561640.db2.gz PCXVIFFZQZKJQD-MNOVXSKESA-N 2 1 268.361 -1.125 20 0 CAADMP C[NH+](CCNC(=O)[C@@H]1CC[N@H+](C)C1)[C@H]1CCNC1=O ZINC001480946356 892561653 /nfs/dbraw/zinc/56/16/53/892561653.db2.gz PCXVIFFZQZKJQD-MNOVXSKESA-N 2 1 268.361 -1.125 20 0 CAADMP C[NH+](CCNC(=O)[C@@H]1CC[N@@H+](C)C1)[C@H]1CCNC1=O ZINC001480946356 892561665 /nfs/dbraw/zinc/56/16/65/892561665.db2.gz PCXVIFFZQZKJQD-MNOVXSKESA-N 2 1 268.361 -1.125 20 0 CAADMP C[N@H+](CCNC(=O)[C@H]1CC[NH+](C)C1)[C@H]1CCNC1=O ZINC001480946357 892564850 /nfs/dbraw/zinc/56/48/50/892564850.db2.gz PCXVIFFZQZKJQD-QWRGUYRKSA-N 2 1 268.361 -1.125 20 0 CAADMP C[N@@H+](CCNC(=O)[C@H]1CC[NH+](C)C1)[C@H]1CCNC1=O ZINC001480946357 892564851 /nfs/dbraw/zinc/56/48/51/892564851.db2.gz PCXVIFFZQZKJQD-QWRGUYRKSA-N 2 1 268.361 -1.125 20 0 CAADMP C[NH+](CCNC(=O)[C@H]1CC[N@H+](C)C1)[C@H]1CCNC1=O ZINC001480946357 892564853 /nfs/dbraw/zinc/56/48/53/892564853.db2.gz PCXVIFFZQZKJQD-QWRGUYRKSA-N 2 1 268.361 -1.125 20 0 CAADMP C[NH+](CCNC(=O)[C@H]1CC[N@@H+](C)C1)[C@H]1CCNC1=O ZINC001480946357 892564854 /nfs/dbraw/zinc/56/48/54/892564854.db2.gz PCXVIFFZQZKJQD-QWRGUYRKSA-N 2 1 268.361 -1.125 20 0 CAADMP CC[C@H]([NH2+]CCN(C)C(=O)[C@@H]1C[N@H+](C)CCO1)C(N)=O ZINC001481217228 892585989 /nfs/dbraw/zinc/58/59/89/892585989.db2.gz GJYNSAZPZYPEEV-QWRGUYRKSA-N 2 1 286.376 -1.371 20 0 CAADMP CC[C@H]([NH2+]CCN(C)C(=O)[C@@H]1C[N@@H+](C)CCO1)C(N)=O ZINC001481217228 892585994 /nfs/dbraw/zinc/58/59/94/892585994.db2.gz GJYNSAZPZYPEEV-QWRGUYRKSA-N 2 1 286.376 -1.371 20 0 CAADMP CC[C@@H]([NH2+]CCN(C)C(=O)[C@@H]1C[N@H+](C)CCO1)C(N)=O ZINC001481217227 892586827 /nfs/dbraw/zinc/58/68/27/892586827.db2.gz GJYNSAZPZYPEEV-MNOVXSKESA-N 2 1 286.376 -1.371 20 0 CAADMP CC[C@@H]([NH2+]CCN(C)C(=O)[C@@H]1C[N@@H+](C)CCO1)C(N)=O ZINC001481217227 892586838 /nfs/dbraw/zinc/58/68/38/892586838.db2.gz GJYNSAZPZYPEEV-MNOVXSKESA-N 2 1 286.376 -1.371 20 0 CAADMP CN(CC[NH2+][C@@H]1CCCNC1=O)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001481217695 892587501 /nfs/dbraw/zinc/58/75/01/892587501.db2.gz QECOAHSFPUKKBU-NEPJUHHUSA-N 2 1 298.387 -1.356 20 0 CAADMP CN(CC[NH2+][C@@H]1CCCNC1=O)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001481217695 892587506 /nfs/dbraw/zinc/58/75/06/892587506.db2.gz QECOAHSFPUKKBU-NEPJUHHUSA-N 2 1 298.387 -1.356 20 0 CAADMP CC[C@@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)[NH2+]CCO ZINC001481798837 892626715 /nfs/dbraw/zinc/62/67/15/892626715.db2.gz VJNGWAGEBWERPY-WDEREUQCSA-N 2 1 259.350 -1.206 20 0 CAADMP CC[C@@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)[NH2+]CCO ZINC001481798837 892626719 /nfs/dbraw/zinc/62/67/19/892626719.db2.gz VJNGWAGEBWERPY-WDEREUQCSA-N 2 1 259.350 -1.206 20 0 CAADMP CC(C)[C@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)[NH2+]CC(N)=O ZINC001482521010 892648422 /nfs/dbraw/zinc/64/84/22/892648422.db2.gz SDQYRVYXINHOFD-QWRGUYRKSA-N 2 1 286.376 -1.467 20 0 CAADMP CC(C)[C@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)[NH2+]CC(N)=O ZINC001482521010 892648424 /nfs/dbraw/zinc/64/84/24/892648424.db2.gz SDQYRVYXINHOFD-QWRGUYRKSA-N 2 1 286.376 -1.467 20 0 CAADMP CC(C)[C@@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)[NH2+]CC(N)=O ZINC001482521009 892648461 /nfs/dbraw/zinc/64/84/61/892648461.db2.gz SDQYRVYXINHOFD-MNOVXSKESA-N 2 1 286.376 -1.467 20 0 CAADMP CC(C)[C@@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)[NH2+]CC(N)=O ZINC001482521009 892648462 /nfs/dbraw/zinc/64/84/62/892648462.db2.gz SDQYRVYXINHOFD-MNOVXSKESA-N 2 1 286.376 -1.467 20 0 CAADMP C[N@H+]1CCC[C@H]1C(=O)NC[C@@H](O)C[NH2+]CC(N)=O ZINC001482715696 892671780 /nfs/dbraw/zinc/67/17/80/892671780.db2.gz ILDKKCROPDDYMQ-IUCAKERBSA-N 2 1 258.322 -2.367 20 0 CAADMP C[N@@H+]1CCO[C@H](C(=O)NC[C@H](O)C[NH2+]CCF)C1 ZINC001482719523 892671852 /nfs/dbraw/zinc/67/18/52/892671852.db2.gz XFIMMLRGFPCUEJ-ZJUUUORDSA-N 2 1 263.313 -1.647 20 0 CAADMP C[N@H+]1CCO[C@H](C(=O)NC[C@H](O)C[NH2+]CCF)C1 ZINC001482719523 892671855 /nfs/dbraw/zinc/67/18/55/892671855.db2.gz XFIMMLRGFPCUEJ-ZJUUUORDSA-N 2 1 263.313 -1.647 20 0 CAADMP C[C@H](O)C[NH2+]C[C@H](O)CNC(=O)C[N@@H+](C)C1CCC1 ZINC001482737489 892679282 /nfs/dbraw/zinc/67/92/82/892679282.db2.gz NTNCEWPJMZAWDT-JQWIXIFHSA-N 2 1 273.377 -1.082 20 0 CAADMP Cc1[nH+]ccn1CC(=O)NC[C@H](O)C[NH2+]CC(N)=O ZINC001482791342 892705647 /nfs/dbraw/zinc/70/56/47/892705647.db2.gz AMFOKFLRZFIBQK-SECBINFHSA-N 2 1 269.305 -2.256 20 0 CAADMP CNC(=O)C[NH2+]C[C@H](O)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001482791141 892705745 /nfs/dbraw/zinc/70/57/45/892705745.db2.gz QEDNKTPPSUMHGG-UWVGGRQHSA-N 2 1 272.349 -2.249 20 0 CAADMP C[C@H](O)C[NH2+]C/C=C/CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001482993156 892721018 /nfs/dbraw/zinc/72/10/18/892721018.db2.gz OSWFNSYLRVVSFO-QSKOYVBTSA-N 2 1 271.361 -1.040 20 0 CAADMP C[C@H](O)C[NH2+]C/C=C/CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001482993156 892721023 /nfs/dbraw/zinc/72/10/23/892721023.db2.gz OSWFNSYLRVVSFO-QSKOYVBTSA-N 2 1 271.361 -1.040 20 0 CAADMP C[C@@H](C[NH2+]CC(=O)NC(N)=O)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001483266417 892750766 /nfs/dbraw/zinc/75/07/66/892750766.db2.gz LNHMGCZUZQUMIT-UWVGGRQHSA-N 2 1 299.375 -1.383 20 0 CAADMP CN(C)C(=O)C[NH2+]C1(CNC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001483725139 892785789 /nfs/dbraw/zinc/78/57/89/892785789.db2.gz SWNNXXRQZFSDAY-LLVKDONJSA-N 2 1 298.387 -1.356 20 0 CAADMP CN(C)C(=O)C[NH2+]C1(CNC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001483725139 892785797 /nfs/dbraw/zinc/78/57/97/892785797.db2.gz SWNNXXRQZFSDAY-LLVKDONJSA-N 2 1 298.387 -1.356 20 0 CAADMP Cc1c[nH+]cn1CC(=O)NC[C@]1(O)CC[N@H+](CCO)C1 ZINC001484229654 892813517 /nfs/dbraw/zinc/81/35/17/892813517.db2.gz IDGRAICFFPJYFB-CYBMUJFWSA-N 2 1 282.344 -1.263 20 0 CAADMP Cc1c[nH+]cn1CC(=O)NC[C@]1(O)CC[N@@H+](CCO)C1 ZINC001484229654 892813534 /nfs/dbraw/zinc/81/35/34/892813534.db2.gz IDGRAICFFPJYFB-CYBMUJFWSA-N 2 1 282.344 -1.263 20 0 CAADMP Cc1c[nH+]cn1CC(=O)NC[C@@]1(O)CC[N@H+](CCO)C1 ZINC001484229655 892814348 /nfs/dbraw/zinc/81/43/48/892814348.db2.gz IDGRAICFFPJYFB-ZDUSSCGKSA-N 2 1 282.344 -1.263 20 0 CAADMP Cc1c[nH+]cn1CC(=O)NC[C@@]1(O)CC[N@@H+](CCO)C1 ZINC001484229655 892814368 /nfs/dbraw/zinc/81/43/68/892814368.db2.gz IDGRAICFFPJYFB-ZDUSSCGKSA-N 2 1 282.344 -1.263 20 0 CAADMP C[NH+](C)CCC(=O)NC[C@@]1(O)CC[N@H+](CC(N)=O)C1 ZINC001484237893 892821619 /nfs/dbraw/zinc/82/16/19/892821619.db2.gz FOQDSEFGFOWACD-LBPRGKRZSA-N 2 1 272.349 -2.024 20 0 CAADMP C[NH+](C)CCC(=O)NC[C@@]1(O)CC[N@@H+](CC(N)=O)C1 ZINC001484237893 892821633 /nfs/dbraw/zinc/82/16/33/892821633.db2.gz FOQDSEFGFOWACD-LBPRGKRZSA-N 2 1 272.349 -2.024 20 0 CAADMP C[N@H+]1CCC[C@H]1C(=O)N(CCO)CC[NH2+]CCO ZINC001484478331 892863238 /nfs/dbraw/zinc/86/32/38/892863238.db2.gz MWSOGJLVCWARGU-NSHDSACASA-N 2 1 259.350 -1.517 20 0 CAADMP Cc1[nH+]ccn1CC(=O)N(CCO)CC[NH2+]C[C@@H](C)O ZINC001484501160 892872009 /nfs/dbraw/zinc/87/20/09/892872009.db2.gz NCZFFFJOQSADAZ-LLVKDONJSA-N 2 1 284.360 -1.017 20 0 CAADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCO[C@H](C[NH2+]CCO)C1 ZINC001484688871 892885408 /nfs/dbraw/zinc/88/54/08/892885408.db2.gz OEKJCESSZKEIJI-VXGBXAGGSA-N 2 1 271.361 -1.110 20 0 CAADMP C[N@H+]1CC[C@@H](C(=O)N2CCC[C@](CO)([NH2+]CCO)C2)C1 ZINC001484855129 892892098 /nfs/dbraw/zinc/89/20/98/892892098.db2.gz YSXBGMBGJRWLEO-OCCSQVGLSA-N 2 1 285.388 -1.127 20 0 CAADMP C[N@H+]1CC[C@@H](C(=O)N2CCC[C@@](CO)([NH2+]CCO)C2)C1 ZINC001484855130 892895504 /nfs/dbraw/zinc/89/55/04/892895504.db2.gz YSXBGMBGJRWLEO-TZMCWYRMSA-N 2 1 285.388 -1.127 20 0 CAADMP C[C@@H](CN(C)C(=O)CC[NH+]1CCOCC1)[NH2+]CC(N)=O ZINC001485933312 892955573 /nfs/dbraw/zinc/95/55/73/892955573.db2.gz AYAABMPRVHVBOF-NSHDSACASA-N 2 1 286.376 -1.370 20 0 CAADMP COCC[NH2+][C@@H](CO)CNC(=O)Cn1c[nH+]cc1C ZINC001486016355 892983062 /nfs/dbraw/zinc/98/30/62/892983062.db2.gz DOMWHBWEGIJHQJ-LLVKDONJSA-N 2 1 270.333 -1.095 20 0 CAADMP Cc1c[nH+]cn1CC(=O)NC[C@@H](CO)[NH2+]CCO ZINC001486017605 892987125 /nfs/dbraw/zinc/98/71/25/892987125.db2.gz VFLYQJFRRTYUJG-JTQLQIEISA-N 2 1 256.306 -1.749 20 0 CAADMP C[N@H+]1CC[C@@H](CC(=O)NC[C@H](CO)[NH2+]CC(N)=O)C1 ZINC001486052027 893000998 /nfs/dbraw/zinc/00/09/98/893000998.db2.gz BBNVPWFTBKMRJT-VHSXEESVSA-N 2 1 272.349 -2.120 20 0 CAADMP C[N@H+]1CC[C@H](CC(=O)NC[C@@H](CO)[NH2+]CC(N)=O)C1 ZINC001486052028 893004485 /nfs/dbraw/zinc/00/44/85/893004485.db2.gz BBNVPWFTBKMRJT-ZJUUUORDSA-N 2 1 272.349 -2.120 20 0 CAADMP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@H](CO)[NH2+]CCOC)C1 ZINC001486061847 893007621 /nfs/dbraw/zinc/00/76/21/893007621.db2.gz CQCIAWLPSCDICF-VXGBXAGGSA-N 2 1 289.376 -1.580 20 0 CAADMP CC[N@H+]1CCO[C@@H](C(=O)NC[C@H](CO)[NH2+]CCOC)C1 ZINC001486061847 893007641 /nfs/dbraw/zinc/00/76/41/893007641.db2.gz CQCIAWLPSCDICF-VXGBXAGGSA-N 2 1 289.376 -1.580 20 0 CAADMP CC[N@@H+]1CCO[C@H](C(=O)NC[C@H](CO)[NH2+]CCOC)C1 ZINC001486061840 893008328 /nfs/dbraw/zinc/00/83/28/893008328.db2.gz CQCIAWLPSCDICF-NEPJUHHUSA-N 2 1 289.376 -1.580 20 0 CAADMP CC[N@H+]1CCO[C@H](C(=O)NC[C@H](CO)[NH2+]CCOC)C1 ZINC001486061840 893008350 /nfs/dbraw/zinc/00/83/50/893008350.db2.gz CQCIAWLPSCDICF-NEPJUHHUSA-N 2 1 289.376 -1.580 20 0 CAADMP CC(C)[N@@H+](C)CC(=O)NC[C@@H](CO)[NH2+]CC(=O)N(C)C ZINC001486064827 893008501 /nfs/dbraw/zinc/00/85/01/893008501.db2.gz ABCIGNMVQYCWQG-NSHDSACASA-N 2 1 288.392 -1.519 20 0 CAADMP COCC[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001486266402 893023096 /nfs/dbraw/zinc/02/30/96/893023096.db2.gz FSMZIICLTWLYOB-RYUDHWBXSA-N 2 1 289.376 -1.628 20 0 CAADMP COCC[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001486266402 893023113 /nfs/dbraw/zinc/02/31/13/893023113.db2.gz FSMZIICLTWLYOB-RYUDHWBXSA-N 2 1 289.376 -1.628 20 0 CAADMP CN(C[C@H](O)C[NH2+]CCCO)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001486268576 893032057 /nfs/dbraw/zinc/03/20/57/893032057.db2.gz SCOOPMRMYJYZBR-VXGBXAGGSA-N 2 1 289.376 -1.892 20 0 CAADMP CN(C[C@H](O)C[NH2+]CCCO)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001486268576 893032078 /nfs/dbraw/zinc/03/20/78/893032078.db2.gz SCOOPMRMYJYZBR-VXGBXAGGSA-N 2 1 289.376 -1.892 20 0 CAADMP CN(C[C@@H](O)C[NH2+]CCCO)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001486268574 893033063 /nfs/dbraw/zinc/03/30/63/893033063.db2.gz SCOOPMRMYJYZBR-NWDGAFQWSA-N 2 1 289.376 -1.892 20 0 CAADMP CN(C[C@@H](O)C[NH2+]CCCO)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001486268574 893033085 /nfs/dbraw/zinc/03/30/85/893033085.db2.gz SCOOPMRMYJYZBR-NWDGAFQWSA-N 2 1 289.376 -1.892 20 0 CAADMP CNC(=O)C[NH2+]C[C@H](O)CN(C)C(=O)Cn1c[nH+]cc1C ZINC001486289715 893042767 /nfs/dbraw/zinc/04/27/67/893042767.db2.gz QKCDFENZXOUQJP-NSHDSACASA-N 2 1 297.359 -1.654 20 0 CAADMP CC(C)[N@@H+](C)CC(=O)N(C)C[C@@H](O)C[NH2+]CCO ZINC001486317387 893053433 /nfs/dbraw/zinc/05/34/33/893053433.db2.gz HFDKJUJZEDIWSQ-NSHDSACASA-N 2 1 261.366 -1.272 20 0 CAADMP C[N@@H+](CCCNC(=O)[C@@H]1CC[NH+](C)C1)CC(N)=O ZINC001490280268 893196910 /nfs/dbraw/zinc/19/69/10/893196910.db2.gz WBMPJEXVTMWHHE-SNVBAGLBSA-N 2 1 256.350 -1.139 20 0 CAADMP C[NH+](CCCNC(=O)[C@@H]1CC[N@H+](C)C1)CC(N)=O ZINC001490280268 893196923 /nfs/dbraw/zinc/19/69/23/893196923.db2.gz WBMPJEXVTMWHHE-SNVBAGLBSA-N 2 1 256.350 -1.139 20 0 CAADMP C[NH+](CCCNC(=O)[C@@H]1CC[N@@H+](C)C1)CC(N)=O ZINC001490280268 893196929 /nfs/dbraw/zinc/19/69/29/893196929.db2.gz WBMPJEXVTMWHHE-SNVBAGLBSA-N 2 1 256.350 -1.139 20 0 CAADMP C[N@H+]1CCO[C@H](C(=O)NC[C@@H]([NH2+]CCO)C2CC2)C1 ZINC001490647747 893212047 /nfs/dbraw/zinc/21/20/47/893212047.db2.gz FYEIPGCXBMXAMZ-NEPJUHHUSA-N 2 1 271.361 -1.206 20 0 CAADMP C[N@@H+]1CCO[C@H](C(=O)NC[C@@H]([NH2+]CCO)C2CC2)C1 ZINC001490647747 893212029 /nfs/dbraw/zinc/21/20/29/893212029.db2.gz FYEIPGCXBMXAMZ-NEPJUHHUSA-N 2 1 271.361 -1.206 20 0 CAADMP NC(=O)C[NH2+][C@H]1C[C@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001490938770 893227779 /nfs/dbraw/zinc/22/77/79/893227779.db2.gz NKUHFWYWRHMOIB-XYPYZODXSA-N 2 1 284.360 -1.569 20 0 CAADMP C[N@@H+]1CCO[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]CCCO)C2)C1 ZINC001491004637 893229995 /nfs/dbraw/zinc/22/99/95/893229995.db2.gz ITFDAPDCSOYALU-TUAOUCFPSA-N 2 1 271.361 -1.064 20 0 CAADMP C[N@H+]1CCO[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]CCCO)C2)C1 ZINC001491004637 893230006 /nfs/dbraw/zinc/23/00/06/893230006.db2.gz ITFDAPDCSOYALU-TUAOUCFPSA-N 2 1 271.361 -1.064 20 0 CAADMP CNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001491081196 893238077 /nfs/dbraw/zinc/23/80/77/893238077.db2.gz WEIYFZSMWMHVSW-MXWKQRLJSA-N 2 1 268.361 -1.079 20 0 CAADMP C[N@@H+]1CCO[C@@H](C(=O)N2CCC[C@H](C[NH2+]CC(N)=O)C2)C1 ZINC001491144681 893245165 /nfs/dbraw/zinc/24/51/65/893245165.db2.gz IVTGVZIXLVOGFI-VXGBXAGGSA-N 2 1 298.387 -1.370 20 0 CAADMP C[N@H+]1CCO[C@@H](C(=O)N2CCC[C@H](C[NH2+]CC(N)=O)C2)C1 ZINC001491144681 893245182 /nfs/dbraw/zinc/24/51/82/893245182.db2.gz IVTGVZIXLVOGFI-VXGBXAGGSA-N 2 1 298.387 -1.370 20 0 CAADMP C[N@@H+]1CCO[C@@H](C(=O)N2CCC[C@@H](C[NH2+]CC(N)=O)C2)C1 ZINC001491144679 893246314 /nfs/dbraw/zinc/24/63/14/893246314.db2.gz IVTGVZIXLVOGFI-NWDGAFQWSA-N 2 1 298.387 -1.370 20 0 CAADMP C[N@H+]1CCO[C@@H](C(=O)N2CCC[C@@H](C[NH2+]CC(N)=O)C2)C1 ZINC001491144679 893246334 /nfs/dbraw/zinc/24/63/34/893246334.db2.gz IVTGVZIXLVOGFI-NWDGAFQWSA-N 2 1 298.387 -1.370 20 0 CAADMP CC[N@@H+]1CCO[C@H](C(=O)NC[C@@H](C)[NH2+]CCO)C1 ZINC001491681407 893305803 /nfs/dbraw/zinc/30/58/03/893305803.db2.gz AWJIFAFCALJRRB-MNOVXSKESA-N 2 1 259.350 -1.206 20 0 CAADMP CC[N@H+]1CCO[C@H](C(=O)NC[C@@H](C)[NH2+]CCO)C1 ZINC001491681407 893305820 /nfs/dbraw/zinc/30/58/20/893305820.db2.gz AWJIFAFCALJRRB-MNOVXSKESA-N 2 1 259.350 -1.206 20 0 CAADMP C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[NH2+]CC(N)=O ZINC001491458158 893277173 /nfs/dbraw/zinc/27/71/73/893277173.db2.gz XZNCCRMBLPIMDC-IVZWLZJFSA-N 2 1 256.350 -1.094 20 0 CAADMP C[C@@H](CNC(=O)CC[NH+](C)C)[NH2+]Cc1nnnn1C ZINC001491569955 893294759 /nfs/dbraw/zinc/29/47/59/893294759.db2.gz WJDPJLBTKNBFIG-VIFPVBQESA-N 2 1 269.353 -1.244 20 0 CAADMP CNC(=O)C[NH2+][C@@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001491673854 893305294 /nfs/dbraw/zinc/30/52/94/893305294.db2.gz PNYVRTVAZNSBDP-VHSXEESVSA-N 2 1 256.350 -1.222 20 0 CAADMP CNC(=O)C[NH2+][C@@H](C)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001491673852 893305379 /nfs/dbraw/zinc/30/53/79/893305379.db2.gz PNYVRTVAZNSBDP-UWVGGRQHSA-N 2 1 256.350 -1.222 20 0 CAADMP CNC(=O)C[NH2+][C@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001491673850 893307429 /nfs/dbraw/zinc/30/74/29/893307429.db2.gz PNYVRTVAZNSBDP-NXEZZACHSA-N 2 1 256.350 -1.222 20 0 CAADMP C[N@H+]1CC[C@@H](C(=O)N2CC[C@H](C[NH2+]CC(N)=O)C2)C1 ZINC001491855796 893313642 /nfs/dbraw/zinc/31/36/42/893313642.db2.gz HNVDWIXXEZGAGE-GHMZBOCLSA-N 2 1 268.361 -1.139 20 0 CAADMP C[N@H+]1CC[C@H](C(=O)N2CC[C@H](C[NH2+]CC(N)=O)C2)C1 ZINC001491855797 893315905 /nfs/dbraw/zinc/31/59/05/893315905.db2.gz HNVDWIXXEZGAGE-MNOVXSKESA-N 2 1 268.361 -1.139 20 0 CAADMP CN(CC[NH2+]CCn1cncn1)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001493506868 893401461 /nfs/dbraw/zinc/40/14/61/893401461.db2.gz BILMVYAAEFYZCI-LBPRGKRZSA-N 2 1 296.375 -1.343 20 0 CAADMP CN(CC[NH2+]CCn1cncn1)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001493506868 893401463 /nfs/dbraw/zinc/40/14/63/893401463.db2.gz BILMVYAAEFYZCI-LBPRGKRZSA-N 2 1 296.375 -1.343 20 0 CAADMP CN(CC[NH2+]CCn1cncn1)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001493506866 893401686 /nfs/dbraw/zinc/40/16/86/893401686.db2.gz BILMVYAAEFYZCI-GFCCVEGCSA-N 2 1 296.375 -1.343 20 0 CAADMP CN(CC[NH2+]CCn1cncn1)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001493506866 893401691 /nfs/dbraw/zinc/40/16/91/893401691.db2.gz BILMVYAAEFYZCI-GFCCVEGCSA-N 2 1 296.375 -1.343 20 0 CAADMP CN(CC[NH2+]CC(=O)NC(N)=O)C(=O)[C@H]1CCCC[N@H+]1C ZINC001493601000 893407667 /nfs/dbraw/zinc/40/76/67/893407667.db2.gz UFZBUTZQEOEQCT-SNVBAGLBSA-N 2 1 299.375 -1.286 20 0 CAADMP CN(CC[NH2+]CC(N)=O)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001493761397 893414015 /nfs/dbraw/zinc/41/40/15/893414015.db2.gz JRNIJKSTYFNZFC-SNVBAGLBSA-N 2 1 256.350 -1.139 20 0 CAADMP CN(CC[NH2+]CCOCCO)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001493794719 893418125 /nfs/dbraw/zinc/41/81/25/893418125.db2.gz YYBKOIHTHRETPW-LBPRGKRZSA-N 2 1 273.377 -1.005 20 0 CAADMP C[N@H+]1CC[C@H](C(=O)NCC2C[NH+](CCOCCO)C2)C1 ZINC001494626606 893449225 /nfs/dbraw/zinc/44/92/25/893449225.db2.gz YOKIDZIMMWSUQT-ZDUSSCGKSA-N 2 1 285.388 -1.005 20 0 CAADMP CC[C@@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)[NH2+]CC(N)=O ZINC001494960444 893464702 /nfs/dbraw/zinc/46/47/02/893464702.db2.gz VVCCFJAKJVGHRO-UWVGGRQHSA-N 2 1 272.349 -1.713 20 0 CAADMP CC[C@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)[NH2+]CC(N)=O ZINC001494960439 893465913 /nfs/dbraw/zinc/46/59/13/893465913.db2.gz VVCCFJAKJVGHRO-NXEZZACHSA-N 2 1 272.349 -1.713 20 0 CAADMP CNC(=O)C[NH2+]C[C@@H](C)CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001495635917 893481814 /nfs/dbraw/zinc/48/18/14/893481814.db2.gz UILKQCPSFGWKNJ-GHMZBOCLSA-N 2 1 286.376 -1.595 20 0 CAADMP CNC(=O)C[NH2+]C[C@@H](C)CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001495635917 893481826 /nfs/dbraw/zinc/48/18/26/893481826.db2.gz UILKQCPSFGWKNJ-GHMZBOCLSA-N 2 1 286.376 -1.595 20 0 CAADMP CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001496956021 893556861 /nfs/dbraw/zinc/55/68/61/893556861.db2.gz XHAZRBPGXNLIOP-MNOVXSKESA-N 2 1 286.376 -1.717 20 0 CAADMP Cc1[nH+]cc2n1CC[C@H](C(=O)NC[C@H](O)C[NH2+]CCO)C2 ZINC001497052024 893594208 /nfs/dbraw/zinc/59/42/08/893594208.db2.gz BWCDFYHVKIFEKX-WCQYABFASA-N 2 1 296.371 -1.187 20 0 CAADMP Cc1[nH+]ccn1CC(=O)NC[C@@H](O)C[NH2+]CCO ZINC001497112689 893604296 /nfs/dbraw/zinc/60/42/96/893604296.db2.gz WQBCKHABXHIDDO-JTQLQIEISA-N 2 1 256.306 -1.749 20 0 CAADMP COCC[NH2+]C[C@H](O)CNC(=O)Cn1cc[nH+]c1C ZINC001497109339 893604743 /nfs/dbraw/zinc/60/47/43/893604743.db2.gz GLPSPNRAMRGCBS-NSHDSACASA-N 2 1 270.333 -1.095 20 0 CAADMP CC(C)[N@H+](C)CC(=O)NC[C@H](O)C[NH2+]Cc1nncn1C ZINC001497115908 893607315 /nfs/dbraw/zinc/60/73/15/893607315.db2.gz ANAYOIBSLXRDHN-LLVKDONJSA-N 2 1 298.391 -1.278 20 0 CAADMP CC(C)[N@@H+](C)CC(=O)NC[C@H](O)C[NH2+]Cc1nncn1C ZINC001497115908 893607328 /nfs/dbraw/zinc/60/73/28/893607328.db2.gz ANAYOIBSLXRDHN-LLVKDONJSA-N 2 1 298.391 -1.278 20 0 CAADMP C[C@H](C[NH2+]CCCO)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001497799116 893634251 /nfs/dbraw/zinc/63/42/51/893634251.db2.gz PQNNSFPLKNGUNC-GHMZBOCLSA-N 2 1 259.350 -1.206 20 0 CAADMP C[C@H](C[NH2+]CCCO)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001497799116 893634259 /nfs/dbraw/zinc/63/42/59/893634259.db2.gz PQNNSFPLKNGUNC-GHMZBOCLSA-N 2 1 259.350 -1.206 20 0 CAADMP C[C@H](C[NH2+]Cc1nnnn1C)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001497797869 893634629 /nfs/dbraw/zinc/63/46/29/893634629.db2.gz MAVYWXPCWCAPGZ-ZJUUUORDSA-N 2 1 281.364 -1.101 20 0 CAADMP C[C@H](C[NH2+]Cc1nnnn1C)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001497797869 893634638 /nfs/dbraw/zinc/63/46/38/893634638.db2.gz MAVYWXPCWCAPGZ-ZJUUUORDSA-N 2 1 281.364 -1.101 20 0 CAADMP C[C@H](C[NH2+]CC(N)=O)NC(=O)CC[NH+]1CCOCC1 ZINC001497942902 893642834 /nfs/dbraw/zinc/64/28/34/893642834.db2.gz KNTDWOKSWQUYPF-SNVBAGLBSA-N 2 1 272.349 -1.712 20 0 CAADMP C[C@@H]([NH2+]C[C@H](C)NC(=O)CC[NH+]1CCOCC1)C(N)=O ZINC001498142199 893660868 /nfs/dbraw/zinc/66/08/68/893660868.db2.gz CMSSFPTVNRZQRY-WDEREUQCSA-N 2 1 286.376 -1.323 20 0 CAADMP CC(C)[N@@H+](C)CC(=O)N[C@@H](C)C[NH2+]CC(=O)NC(N)=O ZINC001498197866 893664030 /nfs/dbraw/zinc/66/40/30/893664030.db2.gz YRCQABVYCJRQMM-VIFPVBQESA-N 2 1 287.364 -1.384 20 0 CAADMP C[C@@H](C[NH2+]CC(=O)NC(N)=O)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001498190322 893664405 /nfs/dbraw/zinc/66/44/05/893664405.db2.gz NNTQZDJXURMTQP-DTWKUNHWSA-N 2 1 285.348 -1.773 20 0 CAADMP C[C@H](C[N@H+](C)CC(=O)NC(N)=O)NC(=O)CC[NH+](C)C ZINC001498395219 893674279 /nfs/dbraw/zinc/67/42/79/893674279.db2.gz OHOHKZOPNGBRRX-SECBINFHSA-N 2 1 287.364 -1.431 20 0 CAADMP C[C@H](C[N@@H+](C)CC(=O)NC(N)=O)NC(=O)CC[NH+](C)C ZINC001498395219 893674284 /nfs/dbraw/zinc/67/42/84/893674284.db2.gz OHOHKZOPNGBRRX-SECBINFHSA-N 2 1 287.364 -1.431 20 0 CAADMP CNC(=O)C[NH2+]CCCN(C)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001498530334 893681921 /nfs/dbraw/zinc/68/19/21/893681921.db2.gz WOXYYMQTUSZCCE-NSHDSACASA-N 2 1 286.376 -1.499 20 0 CAADMP CNC(=O)C[NH2+]CCCN(C)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001498530334 893681929 /nfs/dbraw/zinc/68/19/29/893681929.db2.gz WOXYYMQTUSZCCE-NSHDSACASA-N 2 1 286.376 -1.499 20 0 CAADMP CNC(=O)C[NH2+]CCCN(C)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001498530333 893682148 /nfs/dbraw/zinc/68/21/48/893682148.db2.gz WOXYYMQTUSZCCE-LLVKDONJSA-N 2 1 286.376 -1.499 20 0 CAADMP CNC(=O)C[NH2+]CCCN(C)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001498530333 893682151 /nfs/dbraw/zinc/68/21/51/893682151.db2.gz WOXYYMQTUSZCCE-LLVKDONJSA-N 2 1 286.376 -1.499 20 0 CAADMP C[N@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CC(N)=O)CC1 ZINC001499183396 893709885 /nfs/dbraw/zinc/70/98/85/893709885.db2.gz BSOWUZIBISKSON-VIFPVBQESA-N 2 1 254.334 -1.196 20 0 CAADMP CNC(=O)C[NH2+]C1(CNC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001499448757 893716909 /nfs/dbraw/zinc/71/69/09/893716909.db2.gz QYGFYXWXCHGUSV-JTQLQIEISA-N 2 1 268.361 -1.078 20 0 CAADMP C[NH+](C)CC1(C(=O)NC[C@]2(O)CC[N@@H+](CCO)C2)CC1 ZINC001500718812 893750608 /nfs/dbraw/zinc/75/06/08/893750608.db2.gz ZCWZOFUKOPUFJT-CQSZACIVSA-N 2 1 285.388 -1.127 20 0 CAADMP CNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001500758531 893753280 /nfs/dbraw/zinc/75/32/80/893753280.db2.gz FCUMJONEYMSJPH-SMDDNHRTSA-N 2 1 298.387 -1.763 20 0 CAADMP CNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001500758531 893753286 /nfs/dbraw/zinc/75/32/86/893753286.db2.gz FCUMJONEYMSJPH-SMDDNHRTSA-N 2 1 298.387 -1.763 20 0 CAADMP CNC(=O)C[NH+]1CC[C@@](O)(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001500758531 893753292 /nfs/dbraw/zinc/75/32/92/893753292.db2.gz FCUMJONEYMSJPH-SMDDNHRTSA-N 2 1 298.387 -1.763 20 0 CAADMP CNC(=O)C[NH+]1CC[C@@](O)(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001500758531 893753296 /nfs/dbraw/zinc/75/32/96/893753296.db2.gz FCUMJONEYMSJPH-SMDDNHRTSA-N 2 1 298.387 -1.763 20 0 CAADMP CC(C)[N@@H+](C)CC(=O)NC[C@]1(O)CC[NH+](CCO)C1 ZINC001500765448 893757849 /nfs/dbraw/zinc/75/78/49/893757849.db2.gz ADUOAXSUXXVMPQ-CYBMUJFWSA-N 2 1 273.377 -1.128 20 0 CAADMP CC(C)[NH+](C)CC(=O)NC[C@]1(O)CC[N@H+](CCO)C1 ZINC001500765448 893757859 /nfs/dbraw/zinc/75/78/59/893757859.db2.gz ADUOAXSUXXVMPQ-CYBMUJFWSA-N 2 1 273.377 -1.128 20 0 CAADMP CC(C)[NH+](C)CC(=O)NC[C@]1(O)CC[N@@H+](CCO)C1 ZINC001500765448 893757867 /nfs/dbraw/zinc/75/78/67/893757867.db2.gz ADUOAXSUXXVMPQ-CYBMUJFWSA-N 2 1 273.377 -1.128 20 0 CAADMP C[NH+](C)CCC(=O)N[C@@]1(CO)CCC[N@@H+](CCO)C1 ZINC001501346211 893785163 /nfs/dbraw/zinc/78/51/63/893785163.db2.gz ZAISJYJYPRJQTB-ZDUSSCGKSA-N 2 1 273.377 -1.127 20 0 CAADMP C[C@@H](O)C[NH2+]CCN(CCO)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001501445533 893796664 /nfs/dbraw/zinc/79/66/64/893796664.db2.gz LZZWFHNMFFAEKB-VXGBXAGGSA-N 2 1 289.376 -1.892 20 0 CAADMP C[C@@H](O)C[NH2+]CCN(CCO)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001501445533 893796677 /nfs/dbraw/zinc/79/66/77/893796677.db2.gz LZZWFHNMFFAEKB-VXGBXAGGSA-N 2 1 289.376 -1.892 20 0 CAADMP C[C@H](O)C[NH2+]CCN(CCO)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001501445532 893797375 /nfs/dbraw/zinc/79/73/75/893797375.db2.gz LZZWFHNMFFAEKB-RYUDHWBXSA-N 2 1 289.376 -1.892 20 0 CAADMP C[C@H](O)C[NH2+]CCN(CCO)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001501445532 893797382 /nfs/dbraw/zinc/79/73/82/893797382.db2.gz LZZWFHNMFFAEKB-RYUDHWBXSA-N 2 1 289.376 -1.892 20 0 CAADMP CNC(=O)C[NH2+]CCN(CCO)C(=O)Cn1c[nH+]cc1C ZINC001501474672 893806309 /nfs/dbraw/zinc/80/63/09/893806309.db2.gz JPSFKTIGUCLBTL-UHFFFAOYSA-N 2 1 297.359 -1.652 20 0 CAADMP C[N@H+]1CC[C@@H](CC(=O)N(CCO)CC[NH2+]CC(N)=O)C1 ZINC001501506183 893812784 /nfs/dbraw/zinc/81/27/84/893812784.db2.gz ONQOBCCMHAMNDX-NSHDSACASA-N 2 1 286.376 -1.776 20 0 CAADMP O=C(N(CCO)CC[NH2+]CCO)[C@@]12CC[N@@H+](C1)CCC2 ZINC001501508615 893815671 /nfs/dbraw/zinc/81/56/71/893815671.db2.gz HTXQTVLETRDGOX-AWEZNQCLSA-N 2 1 285.388 -1.125 20 0 CAADMP C[N@@H+]1CCO[C@@H](C(=O)N2CC[C@@H](CC[NH2+]CC(N)=O)C2)C1 ZINC001501552258 893816114 /nfs/dbraw/zinc/81/61/14/893816114.db2.gz PLKHQROAOVYOAZ-VXGBXAGGSA-N 2 1 298.387 -1.370 20 0 CAADMP C[N@H+]1CCO[C@@H](C(=O)N2CC[C@@H](CC[NH2+]CC(N)=O)C2)C1 ZINC001501552258 893816135 /nfs/dbraw/zinc/81/61/35/893816135.db2.gz PLKHQROAOVYOAZ-VXGBXAGGSA-N 2 1 298.387 -1.370 20 0 CAADMP CNC(=O)C[NH2+]C[C@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)CCO1 ZINC001502092098 893837895 /nfs/dbraw/zinc/83/78/95/893837895.db2.gz ICYHPRYBAFLSML-RYUDHWBXSA-N 2 1 298.387 -1.499 20 0 CAADMP CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)CCO1 ZINC001502092097 893838833 /nfs/dbraw/zinc/83/88/33/893838833.db2.gz ICYHPRYBAFLSML-NWDGAFQWSA-N 2 1 298.387 -1.499 20 0 CAADMP C[NH+](C)CCC(=O)N1CCN(C2C[NH+](CCO)C2)CC1 ZINC001502845850 893865806 /nfs/dbraw/zinc/86/58/06/893865806.db2.gz QQERASHRWVBSQJ-UHFFFAOYSA-N 2 1 284.404 -1.241 20 0 CAADMP C[N@H+]1CC[C@@H](C(=O)NC2CC(C[NH2+]CC(N)=O)C2)C1 ZINC001505536112 893882087 /nfs/dbraw/zinc/88/20/87/893882087.db2.gz MWIJVFBDOPIJKT-HSOILSAZSA-N 2 1 268.361 -1.092 20 0 CAADMP C[C@@H](CNC(=O)CC[NH+](C)C)[N@H+](C)CC(=O)NC(N)=O ZINC001505992912 893910584 /nfs/dbraw/zinc/91/05/84/893910584.db2.gz KNMNSCCSASCANL-VIFPVBQESA-N 2 1 287.364 -1.431 20 0 CAADMP C[C@@H](CNC(=O)CC[NH+](C)C)[N@@H+](C)CC(=O)NC(N)=O ZINC001505992912 893910598 /nfs/dbraw/zinc/91/05/98/893910598.db2.gz KNMNSCCSASCANL-VIFPVBQESA-N 2 1 287.364 -1.431 20 0 CAADMP C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH+](C)CC(=O)NC(N)=O ZINC001506057339 893916946 /nfs/dbraw/zinc/91/69/46/893916946.db2.gz ZZIUXPLXHYRSAR-NXEZZACHSA-N 2 1 299.375 -1.431 20 0 CAADMP C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)[NH+](C)CC(=O)NC(N)=O ZINC001506057339 893916964 /nfs/dbraw/zinc/91/69/64/893916964.db2.gz ZZIUXPLXHYRSAR-NXEZZACHSA-N 2 1 299.375 -1.431 20 0 CAADMP C[C@H](CNC(=O)[C@@H]1CC[NH+](C)C1)[N@H+](C)CC(=O)NC(N)=O ZINC001506057339 893916984 /nfs/dbraw/zinc/91/69/84/893916984.db2.gz ZZIUXPLXHYRSAR-NXEZZACHSA-N 2 1 299.375 -1.431 20 0 CAADMP C[C@H](CNC(=O)[C@@H]1CC[NH+](C)C1)[N@@H+](C)CC(=O)NC(N)=O ZINC001506057339 893917006 /nfs/dbraw/zinc/91/70/06/893917006.db2.gz ZZIUXPLXHYRSAR-NXEZZACHSA-N 2 1 299.375 -1.431 20 0 CAADMP C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH+](C)CC(=O)NC(N)=O ZINC001506057340 893917202 /nfs/dbraw/zinc/91/72/02/893917202.db2.gz ZZIUXPLXHYRSAR-UWVGGRQHSA-N 2 1 299.375 -1.431 20 0 CAADMP C[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)[NH+](C)CC(=O)NC(N)=O ZINC001506057340 893917222 /nfs/dbraw/zinc/91/72/22/893917222.db2.gz ZZIUXPLXHYRSAR-UWVGGRQHSA-N 2 1 299.375 -1.431 20 0 CAADMP C[C@@H](CNC(=O)[C@H]1CC[NH+](C)C1)[N@H+](C)CC(=O)NC(N)=O ZINC001506057340 893917233 /nfs/dbraw/zinc/91/72/33/893917233.db2.gz ZZIUXPLXHYRSAR-UWVGGRQHSA-N 2 1 299.375 -1.431 20 0 CAADMP C[C@@H](CNC(=O)[C@H]1CC[NH+](C)C1)[N@@H+](C)CC(=O)NC(N)=O ZINC001506057340 893917245 /nfs/dbraw/zinc/91/72/45/893917245.db2.gz ZZIUXPLXHYRSAR-UWVGGRQHSA-N 2 1 299.375 -1.431 20 0 CAADMP C[C@@H]1[C@H](C(=O)NC[C@@H](CO)[NH2+]CC(N)=O)CC[N@H+]1C ZINC001507198205 893991241 /nfs/dbraw/zinc/99/12/41/893991241.db2.gz PYYLANVMXGXBKI-KXUCPTDWSA-N 2 1 272.349 -2.121 20 0 CAADMP C[C@@H]1[C@H](C(=O)NC[C@H](CO)[NH2+]CC(N)=O)CC[N@H+]1C ZINC001507198206 893992598 /nfs/dbraw/zinc/99/25/98/893992598.db2.gz PYYLANVMXGXBKI-OPRDCNLKSA-N 2 1 272.349 -2.121 20 0 CAADMP C[C@@H]1[C@H](C(=O)NC[C@@H](CO)[NH2+]CCO)CC[N@H+]1C ZINC001507198326 893992958 /nfs/dbraw/zinc/99/29/58/893992958.db2.gz TUYJGVSHMHAXJK-OUAUKWLOSA-N 2 1 259.350 -1.614 20 0 CAADMP C[N@H+]1CC[C@H](C(=O)NC[C@H](CO)[NH2+]CCCO)C1 ZINC001507261751 894032995 /nfs/dbraw/zinc/03/29/95/894032995.db2.gz UNIZEGTUWJMSBO-WDEREUQCSA-N 2 1 259.350 -1.613 20 0 CAADMP Cc1[nH+]ccn1CC(=O)NC[C@@H](CO)[NH2+][C@H]1CCNC1=O ZINC001507261681 894033409 /nfs/dbraw/zinc/03/34/09/894033409.db2.gz UADWGEUCRAJCAN-QWRGUYRKSA-N 2 1 295.343 -1.853 20 0 CAADMP C[N@H+]1CC[C@H](C(=O)NC[C@@H](CO)[NH2+]CC(=O)N2CCC2)C1 ZINC001507262135 894036301 /nfs/dbraw/zinc/03/63/01/894036301.db2.gz VOXHWZNUIPCAAH-RYUDHWBXSA-N 2 1 298.387 -1.763 20 0 CAADMP CNC(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001507469764 894050939 /nfs/dbraw/zinc/05/09/39/894050939.db2.gz BUHNXBMYGACHBR-MNOVXSKESA-N 2 1 286.376 -1.765 20 0 CAADMP COCC[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001507560758 894068683 /nfs/dbraw/zinc/06/86/83/894068683.db2.gz APDVYJAOIVAVJY-VXGBXAGGSA-N 2 1 273.377 -1.007 20 0 CAADMP COCC[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001507560756 894069346 /nfs/dbraw/zinc/06/93/46/894069346.db2.gz APDVYJAOIVAVJY-NWDGAFQWSA-N 2 1 273.377 -1.007 20 0 CAADMP COCC[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001507560757 894069392 /nfs/dbraw/zinc/06/93/92/894069392.db2.gz APDVYJAOIVAVJY-RYUDHWBXSA-N 2 1 273.377 -1.007 20 0 CAADMP C[C@H]1CN2CC[N@H+]1C[C@H]2C(=O)NCCCN1CC[NH2+]CC1 ZINC001521145235 894203325 /nfs/dbraw/zinc/20/33/25/894203325.db2.gz QBDGRSDBZSRJDW-KBPBESRZSA-N 2 1 295.431 -1.214 20 0 CAADMP O=C(CN1CC[NH2+]CC1)Nc1cc2n(n1)CC[NH2+]C2 ZINC001523475541 894267551 /nfs/dbraw/zinc/26/75/51/894267551.db2.gz YFKNXDGEWVDXAS-UHFFFAOYSA-N 2 1 264.333 -1.170 20 0 CAADMP CN1CCN(C(=O)[C@]2(C)C[C@@H](O)C[NH2+]2)CC[N@H+](C)CC1 ZINC001523482066 894267798 /nfs/dbraw/zinc/26/77/98/894267798.db2.gz JMTCZMHNWBEXBK-OCCSQVGLSA-N 2 1 284.404 -1.195 20 0 CAADMP CN1CCN(C(=O)[C@]2(C)C[C@@H](O)C[NH2+]2)CC[N@@H+](C)CC1 ZINC001523482066 894267814 /nfs/dbraw/zinc/26/78/14/894267814.db2.gz JMTCZMHNWBEXBK-OCCSQVGLSA-N 2 1 284.404 -1.195 20 0 CAADMP CN1CCN(C(=O)[C@@]2(C)C[C@@H](O)C[NH2+]2)CC[N@H+](C)CC1 ZINC001523482068 894268670 /nfs/dbraw/zinc/26/86/70/894268670.db2.gz JMTCZMHNWBEXBK-TZMCWYRMSA-N 2 1 284.404 -1.195 20 0 CAADMP CN1CCN(C(=O)[C@@]2(C)C[C@@H](O)C[NH2+]2)CC[N@@H+](C)CC1 ZINC001523482068 894268684 /nfs/dbraw/zinc/26/86/84/894268684.db2.gz JMTCZMHNWBEXBK-TZMCWYRMSA-N 2 1 284.404 -1.195 20 0 CAADMP CN1CCN(C(=O)[C@]2(C)C[C@H](O)C[NH2+]2)CC[N@H+](C)CC1 ZINC001523482065 894268838 /nfs/dbraw/zinc/26/88/38/894268838.db2.gz JMTCZMHNWBEXBK-JSGCOSHPSA-N 2 1 284.404 -1.195 20 0 CAADMP CN1CCN(C(=O)[C@]2(C)C[C@H](O)C[NH2+]2)CC[N@@H+](C)CC1 ZINC001523482065 894268854 /nfs/dbraw/zinc/26/88/54/894268854.db2.gz JMTCZMHNWBEXBK-JSGCOSHPSA-N 2 1 284.404 -1.195 20 0 CAADMP [NH3+]CCNCC(=O)NC[C@@]1(CO)COC[C@@H]2CCC[N@H+]21 ZINC001524150535 894279119 /nfs/dbraw/zinc/27/91/19/894279119.db2.gz RUMFDWMBFHMTPQ-WCQYABFASA-N 2 1 286.376 -2.123 20 0 CAADMP O=C(C[C@]1(O)CCC[NH2+]C1)N1CC[NH+](CCO)CC1 ZINC001548559368 894486683 /nfs/dbraw/zinc/48/66/83/894486683.db2.gz VXPSMKBNQXXHBK-CYBMUJFWSA-N 2 1 271.361 -1.373 20 0 CAADMP COCC[N@H+]1CC[C@H](NC(=O)[C@H]2C[NH2+]CCN2C)C1 ZINC001548554450 894486894 /nfs/dbraw/zinc/48/68/94/894486894.db2.gz UKNIAKRWJMKMBG-NWDGAFQWSA-N 2 1 270.377 -1.273 20 0 CAADMP O=C([C@H]1COCC[NH2+]1)N1CCC[C@H]([NH2+]CCO)C1 ZINC001548574881 894490121 /nfs/dbraw/zinc/49/01/21/894490121.db2.gz RRFSHQAEXJNIEN-WDEREUQCSA-N 2 1 257.334 -1.452 20 0 CAADMP C[C@@H]1CN2CCN1C[C@@H]2C(=O)N1CCN(CCO)C[C@@H]1C ZINC001548716162 894498558 /nfs/dbraw/zinc/49/85/58/894498558.db2.gz IEXHKZVULJROKR-HZSPNIEDSA-N 2 1 296.415 -1.100 20 0 CAADMP C[C@@H]1CN2CCN1C[C@@H]2C(=O)N1CCN(C)C[C@H]1CO ZINC001548730985 894499804 /nfs/dbraw/zinc/49/98/04/894499804.db2.gz UBVBOOMILAAXEV-FRRDWIJNSA-N 2 1 282.388 -1.490 20 0 CAADMP C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)NCC[NH+]1CC[C@@H](O)C1 ZINC001548733280 894502449 /nfs/dbraw/zinc/50/24/49/894502449.db2.gz BRYAXHQTMCCCLD-JHJVBQTASA-N 2 1 282.388 -1.443 20 0 CAADMP C[C@@H]1CN2CC[NH+]1C[C@@H]2C(=O)NCC[N@@H+]1CC[C@@H](O)C1 ZINC001548733280 894502462 /nfs/dbraw/zinc/50/24/62/894502462.db2.gz BRYAXHQTMCCCLD-JHJVBQTASA-N 2 1 282.388 -1.443 20 0 CAADMP C[C@@H]1CN2CC[NH+]1C[C@@H]2C(=O)NCC[N@H+]1CC[C@@H](O)C1 ZINC001548733280 894502474 /nfs/dbraw/zinc/50/24/74/894502474.db2.gz BRYAXHQTMCCCLD-JHJVBQTASA-N 2 1 282.388 -1.443 20 0 CAADMP C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)NC[C@]1(CO)COCC[NH2+]1 ZINC001548733496 894503071 /nfs/dbraw/zinc/50/30/71/894503071.db2.gz HTKJFBMTNKJAGM-DYEKYZERSA-N 2 1 298.387 -2.158 20 0 CAADMP C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)NC[C@]1(CO)COCC[NH2+]1 ZINC001548733496 894503077 /nfs/dbraw/zinc/50/30/77/894503077.db2.gz HTKJFBMTNKJAGM-DYEKYZERSA-N 2 1 298.387 -2.158 20 0 CAADMP C[NH+](C)C[C@@]1(O)CCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001548748670 894503347 /nfs/dbraw/zinc/50/33/47/894503347.db2.gz XSQVDKFBDXSGKR-YPMHNXCESA-N 2 1 271.361 -1.158 20 0 CAADMP C[NH+](C)C[C@@]1(O)CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001548748670 894503352 /nfs/dbraw/zinc/50/33/52/894503352.db2.gz XSQVDKFBDXSGKR-YPMHNXCESA-N 2 1 271.361 -1.158 20 0 CAADMP C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)NC[C@@]1(CO)COCC[NH2+]1 ZINC001548733497 894503365 /nfs/dbraw/zinc/50/33/65/894503365.db2.gz HTKJFBMTNKJAGM-MBNYWOFBSA-N 2 1 298.387 -2.158 20 0 CAADMP C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)NC[C@@]1(CO)COCC[NH2+]1 ZINC001548733497 894503371 /nfs/dbraw/zinc/50/33/71/894503371.db2.gz HTKJFBMTNKJAGM-MBNYWOFBSA-N 2 1 298.387 -2.158 20 0 CAADMP C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)NCC[NH+]1CC[C@H](O)C1 ZINC001548733648 894503580 /nfs/dbraw/zinc/50/35/80/894503580.db2.gz BRYAXHQTMCCCLD-FRRDWIJNSA-N 2 1 282.388 -1.443 20 0 CAADMP C[C@@H]1CN2CC[NH+]1C[C@@H]2C(=O)NCC[N@@H+]1CC[C@H](O)C1 ZINC001548733648 894503593 /nfs/dbraw/zinc/50/35/93/894503593.db2.gz BRYAXHQTMCCCLD-FRRDWIJNSA-N 2 1 282.388 -1.443 20 0 CAADMP C[C@@H]1CN2CC[NH+]1C[C@@H]2C(=O)NCC[N@H+]1CC[C@H](O)C1 ZINC001548733648 894503604 /nfs/dbraw/zinc/50/36/04/894503604.db2.gz BRYAXHQTMCCCLD-FRRDWIJNSA-N 2 1 282.388 -1.443 20 0 CAADMP C[NH+](C)C[C@]1(O)CCN(C(=O)[C@@]2(C)C[C@H](O)C[N@H+]2C)C1 ZINC001548749942 894504041 /nfs/dbraw/zinc/50/40/41/894504041.db2.gz GTEASAUMXJYQKV-IACUBPJLSA-N 2 1 285.388 -1.034 20 0 CAADMP C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)NCC[NH+]1CC[C@@H](O)C1 ZINC001548733281 894505140 /nfs/dbraw/zinc/50/51/40/894505140.db2.gz BRYAXHQTMCCCLD-UPJWGTAASA-N 2 1 282.388 -1.443 20 0 CAADMP C[C@@H]1CN2CC[NH+]1C[C@H]2C(=O)NCC[N@@H+]1CC[C@@H](O)C1 ZINC001548733281 894505155 /nfs/dbraw/zinc/50/51/55/894505155.db2.gz BRYAXHQTMCCCLD-UPJWGTAASA-N 2 1 282.388 -1.443 20 0 CAADMP C[C@@H]1CN2CC[NH+]1C[C@H]2C(=O)NCC[N@H+]1CC[C@@H](O)C1 ZINC001548733281 894505161 /nfs/dbraw/zinc/50/51/61/894505161.db2.gz BRYAXHQTMCCCLD-UPJWGTAASA-N 2 1 282.388 -1.443 20 0 CAADMP C[C@@H]1OCC[NH2+][C@H]1C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC001549046364 894507491 /nfs/dbraw/zinc/50/74/91/894507491.db2.gz RLJZROKFJBZORU-HBNTYKKESA-N 2 1 257.334 -1.142 20 0 CAADMP O=C([C@@H]1COCC[NH2+]1)N1CC[C@@H]2OCC[NH2+][C@@H]2C1 ZINC001549045160 894508349 /nfs/dbraw/zinc/50/83/49/894508349.db2.gz ZCPGNAPIFDJCMK-VWYCJHECSA-N 2 1 255.318 -1.436 20 0 CAADMP O=C([C@H]1COCC[NH2+]1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC001549044582 894508669 /nfs/dbraw/zinc/50/86/69/894508669.db2.gz YOUFNCXATHLXPB-NWDGAFQWSA-N 2 1 268.361 -1.519 20 0 CAADMP NC(=O)C[C@H]([NH3+])C(=O)N1C[C@H]2CCC[C@]2(C[NH3+])C1 ZINC001549128374 894511064 /nfs/dbraw/zinc/51/10/64/894511064.db2.gz LSWGCDPDYYXYBT-PTRXPTGYSA-N 2 1 254.334 -1.224 20 0 CAADMP [NH3+]Cc1cn([C@H]2CCCN(C(=O)[C@@H]3COCC[NH2+]3)C2)nn1 ZINC001549047561 894511249 /nfs/dbraw/zinc/51/12/49/894511249.db2.gz SSRZCRCEQYHAOD-RYUDHWBXSA-N 2 1 294.359 -1.111 20 0 CAADMP NC(=O)C[C@@H]([NH3+])C(=O)N1C[C@H]2CCC[C@]2(C[NH3+])C1 ZINC001549128373 894511595 /nfs/dbraw/zinc/51/15/95/894511595.db2.gz LSWGCDPDYYXYBT-LNLATYFQSA-N 2 1 254.334 -1.224 20 0 CAADMP Cn1cc([C@@H]2CN(C(=O)[C@@H]3COCC[NH2+]3)C[C@@H]2[NH3+])cn1 ZINC001549049676 894511726 /nfs/dbraw/zinc/51/17/26/894511726.db2.gz GJXAAOXLGAYAEC-SRVKXCTJSA-N 2 1 279.344 -1.338 20 0 CAADMP C[C@@H]1OCC[NH2+][C@@H]1C(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC001549048188 894512346 /nfs/dbraw/zinc/51/23/46/894512346.db2.gz BCDFWICPNNFHAB-DCAQKATOSA-N 2 1 257.334 -1.061 20 0 CAADMP [NH3+]Cc1cn([C@@H]2CCCN(C(=O)[C@@H]3COCC[NH2+]3)C2)nn1 ZINC001549047559 894512517 /nfs/dbraw/zinc/51/25/17/894512517.db2.gz SSRZCRCEQYHAOD-NEPJUHHUSA-N 2 1 294.359 -1.111 20 0 CAADMP O=C(NCc1cnn2c1C[NH2+]CC2)[C@H]1C[NH2+]CCOC1 ZINC001549721191 894521909 /nfs/dbraw/zinc/52/19/09/894521909.db2.gz MDXUKOGAUVPPAB-NSHDSACASA-N 2 1 279.344 -1.162 20 0 CAADMP Cn1cnc([C@@H]2CN(C(=O)[C@H]3COCC[NH2+]3)C[C@H]2[NH3+])c1 ZINC001549733977 894523279 /nfs/dbraw/zinc/52/32/79/894523279.db2.gz CSRDFXAFBLYXHX-CKYFFXLPSA-N 2 1 279.344 -1.338 20 0 CAADMP C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]([NH3+])CC(N)=O)CC[C@@H]21 ZINC001550104216 894528595 /nfs/dbraw/zinc/52/85/95/894528595.db2.gz JFNWOCXPFBCREN-BBBLOLIVSA-N 2 1 254.334 -1.258 20 0 CAADMP C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]([NH3+])CC(N)=O)CC[C@@H]21 ZINC001550104216 894528602 /nfs/dbraw/zinc/52/86/02/894528602.db2.gz JFNWOCXPFBCREN-BBBLOLIVSA-N 2 1 254.334 -1.258 20 0 CAADMP C[C@@H]1OCC[NH2+][C@H]1C(=O)NCc1cn([C@H]2CC[NH2+]C2)nn1 ZINC001550087390 894528951 /nfs/dbraw/zinc/52/89/51/894528951.db2.gz RRORUSDOHWCERU-ZMLRMANQSA-N 2 1 294.359 -1.194 20 0 CAADMP C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]([NH3+])CC(N)=O)CC[C@H]21 ZINC001550104238 894530179 /nfs/dbraw/zinc/53/01/79/894530179.db2.gz JFNWOCXPFBCREN-KXUCPTDWSA-N 2 1 254.334 -1.258 20 0 CAADMP C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]([NH3+])CC(N)=O)CC[C@H]21 ZINC001550104238 894530188 /nfs/dbraw/zinc/53/01/88/894530188.db2.gz JFNWOCXPFBCREN-KXUCPTDWSA-N 2 1 254.334 -1.258 20 0 CAADMP CN1CC[NH+]([C@@H]2CCN(C(=O)CN3CC[NH2+]CC3)C2)CC1 ZINC001550116378 894532078 /nfs/dbraw/zinc/53/20/78/894532078.db2.gz NBNWIXXJGLWIJA-CQSZACIVSA-N 2 1 295.431 -1.260 20 0 CAADMP N[C@H]1CN(C(=O)N[C@@H]2CC[NH2+]C23CCC3)C[C@H]1[NH3+] ZINC001550269517 894533423 /nfs/dbraw/zinc/53/34/23/894533423.db2.gz CNORRCXIILKQJE-KXUCPTDWSA-N 2 1 253.350 -1.049 20 0 CAADMP CN1CC[N@@H+](C)CC(C(=O)N2CC[NH+]3C[C@@H](O)C[C@@H]3C2)C1 ZINC001550393296 894534491 /nfs/dbraw/zinc/53/44/91/894534491.db2.gz DWMHVYQJQRNERM-KGLIPLIRSA-N 2 1 296.415 -1.243 20 0 CAADMP CN1CC[NH+](C)CC(C(=O)N2CC[N@@H+]3C[C@@H](O)C[C@@H]3C2)C1 ZINC001550393296 894534508 /nfs/dbraw/zinc/53/45/08/894534508.db2.gz DWMHVYQJQRNERM-KGLIPLIRSA-N 2 1 296.415 -1.243 20 0 CAADMP CN1CC[NH+](C)CC(C(=O)N2CC[N@H+]3C[C@@H](O)C[C@@H]3C2)C1 ZINC001550393296 894534519 /nfs/dbraw/zinc/53/45/19/894534519.db2.gz DWMHVYQJQRNERM-KGLIPLIRSA-N 2 1 296.415 -1.243 20 0 CAADMP CNC(=O)[C@@]12C[N@H+]([C@@H]3C[C@H]([NH3+])C[C@H]3O)C[C@H]1COCC2 ZINC001551405348 894536241 /nfs/dbraw/zinc/53/62/41/894536241.db2.gz ARJXUTZTKXDHKP-ROEYZRMQSA-N 2 1 283.372 -1.079 20 0 CAADMP O=C(NCC12CC(C1)C[NH2+]2)N1CC[C@@H]2[NH2+]CC(=O)N[C@@H]2C1 ZINC001550739591 894537964 /nfs/dbraw/zinc/53/79/64/894537964.db2.gz CIWMDRCZKATDGZ-DUEVMTECSA-N 2 1 293.371 -1.390 20 0 CAADMP CN1CC[N@H+](C)CC(C(=O)N2CC([NH+]3CC[C@H](O)C3)C2)C1 ZINC001552986654 894556333 /nfs/dbraw/zinc/55/63/33/894556333.db2.gz SMMDDIFFOBRPML-AWEZNQCLSA-N 2 1 296.415 -1.243 20 0 CAADMP CN1CC[N@@H+](C)CC(C(=O)N2CC([NH+]3CC[C@H](O)C3)C2)C1 ZINC001552986654 894556354 /nfs/dbraw/zinc/55/63/54/894556354.db2.gz SMMDDIFFOBRPML-AWEZNQCLSA-N 2 1 296.415 -1.243 20 0 CAADMP CN1CC[NH+](C)CC(C(=O)N2CC([N@@H+]3CC[C@H](O)C3)C2)C1 ZINC001552986654 894556360 /nfs/dbraw/zinc/55/63/60/894556360.db2.gz SMMDDIFFOBRPML-AWEZNQCLSA-N 2 1 296.415 -1.243 20 0 CAADMP CN1CC[NH+](C)CC(C(=O)N2CC([N@H+]3CC[C@H](O)C3)C2)C1 ZINC001552986654 894556376 /nfs/dbraw/zinc/55/63/76/894556376.db2.gz SMMDDIFFOBRPML-AWEZNQCLSA-N 2 1 296.415 -1.243 20 0 CAADMP CNC(=O)CNC(=O)[C@]12C[NH2+]C[C@@H]1C[N@@H+](C)CC2 ZINC001553398918 894559168 /nfs/dbraw/zinc/55/91/68/894559168.db2.gz CODIRKQPRLCXOX-BXKDBHETSA-N 2 1 254.334 -1.610 20 0 CAADMP C[N@H+]1CC[C@]2(C(=O)NCCN3CC[NH2+]CC3)C[NH2+]C[C@H]2C1 ZINC001553355813 894559280 /nfs/dbraw/zinc/55/92/80/894559280.db2.gz VYBPBIFADAXDDV-ZFWWWQNUSA-N 3 1 295.431 -1.451 20 0 CAADMP CN1CC[C@]2(C(=O)NCCN3CC[NH2+]CC3)C[NH2+]C[C@H]2C1 ZINC001553355813 894559291 /nfs/dbraw/zinc/55/92/91/894559291.db2.gz VYBPBIFADAXDDV-ZFWWWQNUSA-N 2 1 295.431 -1.451 20 0 CAADMP [NH3+][C@@H]1C[C@@H]2C[N@@H+](C[C@@H]3C[C@@]4(CC[NH2+]C4)CO3)CCN2C1=O ZINC001553304921 894559348 /nfs/dbraw/zinc/55/93/48/894559348.db2.gz PABKHVZTTVURHU-QVHKTLOISA-N 3 1 294.399 -1.001 20 0 CAADMP [NH3+][C@@H]1C[C@@H]2CN(C[C@@H]3C[C@@]4(CC[NH2+]C4)CO3)CCN2C1=O ZINC001553304921 894559361 /nfs/dbraw/zinc/55/93/61/894559361.db2.gz PABKHVZTTVURHU-QVHKTLOISA-N 2 1 294.399 -1.001 20 0 CAADMP C[N@@H+]1CC[C@]2(C(=O)N3CC[NH2+]CC3)C[NH2+]C[C@H]2C1 ZINC001553348686 894559900 /nfs/dbraw/zinc/55/99/00/894559900.db2.gz LNDBAAULEKXZHX-AAEUAGOBSA-N 3 1 252.362 -1.041 20 0 CAADMP C[N@H+]1CC[C@]2(C(=O)N3CC[NH2+]CC3)C[NH2+]C[C@H]2C1 ZINC001553348686 894559906 /nfs/dbraw/zinc/55/99/06/894559906.db2.gz LNDBAAULEKXZHX-AAEUAGOBSA-N 3 1 252.362 -1.041 20 0 CAADMP CN(C)C(=O)CNC(=O)[C@]12C[NH2+]C[C@H]1C[N@@H+](C)CC2 ZINC001553377837 894560276 /nfs/dbraw/zinc/56/02/76/894560276.db2.gz YBSGWJJEADKUFG-GXFFZTMASA-N 2 1 268.361 -1.268 20 0 CAADMP C[N@H+]1CC[C@@]2(C(=O)NCC(=O)NC3CC3)C[NH2+]C[C@H]2C1 ZINC001553372859 894560488 /nfs/dbraw/zinc/56/04/88/894560488.db2.gz SLPHMKQWTCMDDC-IINYFYTJSA-N 2 1 280.372 -1.078 20 0 CAADMP CN(C)C(=O)CNC(=O)[C@@]12C[NH2+]C[C@H]1C[N@@H+](C)CC2 ZINC001553377823 894560901 /nfs/dbraw/zinc/56/09/01/894560901.db2.gz YBSGWJJEADKUFG-GWCFXTLKSA-N 2 1 268.361 -1.268 20 0 CAADMP C[N@H+]1CC[C@@]2(C(=O)NCCN3CC[NH2+]CC3)C[NH2+]C[C@@H]2C1 ZINC001553355812 894560930 /nfs/dbraw/zinc/56/09/30/894560930.db2.gz VYBPBIFADAXDDV-UKRRQHHQSA-N 3 1 295.431 -1.451 20 0 CAADMP CN1CC[C@@]2(C(=O)NCCN3CC[NH2+]CC3)C[NH2+]C[C@@H]2C1 ZINC001553355812 894560935 /nfs/dbraw/zinc/56/09/35/894560935.db2.gz VYBPBIFADAXDDV-UKRRQHHQSA-N 2 1 295.431 -1.451 20 0 CAADMP C[N@H+]1CC[C@]2(C(=O)NCC(=O)NC3CC3)C[NH2+]C[C@H]2C1 ZINC001553372850 894560948 /nfs/dbraw/zinc/56/09/48/894560948.db2.gz SLPHMKQWTCMDDC-HZMBPMFUSA-N 2 1 280.372 -1.078 20 0 CAADMP CNC(=O)CNC(=O)[C@]12C[NH2+]C[C@H]1C[N@@H+](C)CC2 ZINC001553398920 894561382 /nfs/dbraw/zinc/56/13/82/894561382.db2.gz CODIRKQPRLCXOX-JOYOIKCWSA-N 2 1 254.334 -1.610 20 0 CAADMP CN(C)C(=O)CNC(=O)[C@]12C[NH2+]C[C@@H]1C[N@@H+](C)CC2 ZINC001553377845 894561878 /nfs/dbraw/zinc/56/18/78/894561878.db2.gz YBSGWJJEADKUFG-ZWNOBZJWSA-N 2 1 268.361 -1.268 20 0 CAADMP C[N@H+]1CC[C@@]2(C(=O)NCC(=O)NC3CC3)C[NH2+]C[C@@H]2C1 ZINC001553372863 894562084 /nfs/dbraw/zinc/56/20/84/894562084.db2.gz SLPHMKQWTCMDDC-QMTHXVAHSA-N 2 1 280.372 -1.078 20 0 CAADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)[C@@H]1C[C@@H]2OCC[C@H]2[NH2+]1 ZINC001553410700 894563732 /nfs/dbraw/zinc/56/37/32/894563732.db2.gz PDXJAETUOLGYAY-NDBYEHHHSA-N 2 1 282.388 -1.132 20 0 CAADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)[C@@H]1C[C@H]2OCC[C@@H]2[NH2+]1 ZINC001553410695 894564986 /nfs/dbraw/zinc/56/49/86/894564986.db2.gz PDXJAETUOLGYAY-MROQNXINSA-N 2 1 282.388 -1.132 20 0 CAADMP C[N@H+]1C[C@@H](NC(=O)[C@@H]2C[C@@H]3OCC[C@@H]3[NH2+]2)[C@@H](O)C1 ZINC001553430774 894565220 /nfs/dbraw/zinc/56/52/20/894565220.db2.gz VTEDQXVFVCGWGD-HHKYUTTNSA-N 2 1 255.318 -1.703 20 0 CAADMP C[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[C@@H]3OCC[C@@H]3[NH2+]2)[C@@H](O)C1 ZINC001553430774 894565233 /nfs/dbraw/zinc/56/52/33/894565233.db2.gz VTEDQXVFVCGWGD-HHKYUTTNSA-N 2 1 255.318 -1.703 20 0 CAADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)[C@@H]1C[C@H]2OCC[C@H]2[NH2+]1 ZINC001553410691 894565838 /nfs/dbraw/zinc/56/58/38/894565838.db2.gz PDXJAETUOLGYAY-FVCCEPFGSA-N 2 1 282.388 -1.132 20 0 CAADMP C[N@H+]1C[C@@H](O)[C@@H](NC(=O)C2C[NH+](C3CCOCC3)C2)C1 ZINC001553649502 894567334 /nfs/dbraw/zinc/56/73/34/894567334.db2.gz ONPJLHWYIPQHRV-QWHCGFSZSA-N 2 1 283.372 -1.112 20 0 CAADMP N[C@H]1CN(C(=O)N[C@]23CCC[C@H]2C[NH2+]C3)C[C@H]1[NH3+] ZINC001553529190 894567762 /nfs/dbraw/zinc/56/77/62/894567762.db2.gz PNBXDRQRSMIHSS-GUDRVLHUSA-N 2 1 253.350 -1.192 20 0 CAADMP CN1CC[N@@H+](C)CC(C(=O)N[C@H]2C[NH+](C)C[C@@H]2O)C1 ZINC001553647655 894567875 /nfs/dbraw/zinc/56/78/75/894567875.db2.gz HDBRWJAMVTUHKQ-RYUDHWBXSA-N 2 1 270.377 -1.729 20 0 CAADMP CN1CC[NH+](C)CC(C(=O)N[C@H]2C[N@H+](C)C[C@@H]2O)C1 ZINC001553647655 894567890 /nfs/dbraw/zinc/56/78/90/894567890.db2.gz HDBRWJAMVTUHKQ-RYUDHWBXSA-N 2 1 270.377 -1.729 20 0 CAADMP CN1CC[NH+](C)CC(C(=O)N[C@H]2C[N@@H+](C)C[C@@H]2O)C1 ZINC001553647655 894567902 /nfs/dbraw/zinc/56/79/02/894567902.db2.gz HDBRWJAMVTUHKQ-RYUDHWBXSA-N 2 1 270.377 -1.729 20 0 CAADMP C[C@H]1OCC[NH2+][C@@H]1C(=O)NCCN1CC[NH2+]CC1 ZINC000261870229 230220700 /nfs/dbraw/zinc/22/07/00/230220700.db2.gz DBSIKWNYOHDQQC-MNOVXSKESA-N 2 1 256.350 -1.615 20 0 CAADMP [NH3+]CC(=O)NCC(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000252433687 230219382 /nfs/dbraw/zinc/21/93/82/230219382.db2.gz RASZEDURKWUORI-NXEZZACHSA-N 2 1 254.334 -1.196 20 0 CAADMP C[C@@H](C[NH3+])C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000262319655 230226125 /nfs/dbraw/zinc/22/61/25/230226125.db2.gz FBZJMAGEFOSWHO-JTQLQIEISA-N 2 1 256.350 -1.139 20 0 CAADMP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)N1CC[NH+](CCO)CC1 ZINC000262305896 230226014 /nfs/dbraw/zinc/22/60/14/230226014.db2.gz CGJFHEWKBKZJLS-NSHDSACASA-N 2 1 284.360 -2.009 20 0 CAADMP COCC[N@@H+](C)CCNC(=O)C(=O)N1CC[NH2+][C@@H](C)C1 ZINC000419366587 230253806 /nfs/dbraw/zinc/25/38/06/230253806.db2.gz ZLDCUDVQPWMWAY-NSHDSACASA-N 2 1 286.376 -1.499 20 0 CAADMP C[NH+](C)C[C@H]1CN(C(=O)[C@H]2COCC[NH2+]2)CCO1 ZINC000424181435 282139239 /nfs/dbraw/zinc/13/92/39/282139239.db2.gz RGCHGULVLJCSFZ-WDEREUQCSA-N 2 1 257.334 -1.236 20 0 CAADMP NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)C[C@@H]1C[NH2+]CCO1 ZINC000430900286 230312992 /nfs/dbraw/zinc/31/29/92/230312992.db2.gz PGUWBFPIHDYCCH-NEPJUHHUSA-N 2 1 298.387 -1.179 20 0 CAADMP NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)[C@H]1COCC[NH2+]1 ZINC000430890528 230312901 /nfs/dbraw/zinc/31/29/01/230312901.db2.gz SWQQJVHEYDRLDS-MNOVXSKESA-N 2 1 284.360 -1.569 20 0 CAADMP NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)[C@H]1COCC[NH2+]1 ZINC000430890528 230312905 /nfs/dbraw/zinc/31/29/05/230312905.db2.gz SWQQJVHEYDRLDS-MNOVXSKESA-N 2 1 284.360 -1.569 20 0 CAADMP O[C@@H]1C[NH+](CCCCC[N@H+]2C[C@@H](O)[C@@H](O)C2)C[C@H]1O ZINC000444710244 230337420 /nfs/dbraw/zinc/33/74/20/230337420.db2.gz USGZRCGDMMGZDG-LPWJVIDDSA-N 2 1 274.361 -1.769 20 0 CAADMP CC[C@H]([NH3+])C(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000424034297 529440821 /nfs/dbraw/zinc/44/08/21/529440821.db2.gz ZUQPHDCTFNRDNM-JTQLQIEISA-N 2 1 290.389 -1.831 20 0 CAADMP C[C@H]1OCC[NH2+][C@@H]1C(=O)NCCC[N@@H+]1CCC[C@@H]1C(N)=O ZINC000494062403 230363461 /nfs/dbraw/zinc/36/34/61/230363461.db2.gz IBBQBXBWQPOXGJ-UTUOFQBUSA-N 2 1 298.387 -1.181 20 0 CAADMP C[C@H]1OCC[NH2+][C@@H]1C(=O)NCCC[N@H+]1CCC[C@@H]1C(N)=O ZINC000494062403 230363462 /nfs/dbraw/zinc/36/34/62/230363462.db2.gz IBBQBXBWQPOXGJ-UTUOFQBUSA-N 2 1 298.387 -1.181 20 0 CAADMP C[N@H+]1CC[C@@H]2CCN(C(=O)C(=O)N3CC[NH2+]CC3)[C@@H]2C1 ZINC000423558007 529796681 /nfs/dbraw/zinc/79/66/81/529796681.db2.gz IVGXHFASTVPLOQ-VXGBXAGGSA-N 2 1 280.372 -1.029 20 0 CAADMP C[N@H+]1CC[C@@H]2CCN(C(=O)C(=O)N3CC[NH2+]CC3)[C@H]2C1 ZINC000423558000 529796693 /nfs/dbraw/zinc/79/66/93/529796693.db2.gz IVGXHFASTVPLOQ-NEPJUHHUSA-N 2 1 280.372 -1.029 20 0 CAADMP C[N@@H+](CCC(=O)N1CC[NH2+]CC1)CC(=O)N1CCOCC1 ZINC000262148710 529870555 /nfs/dbraw/zinc/87/05/55/529870555.db2.gz PCUSANLOOUVGAI-UHFFFAOYSA-N 2 1 298.387 -1.401 20 0 CAADMP CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)N1CC[NH2+]CC1 ZINC000423529770 529900709 /nfs/dbraw/zinc/90/07/09/529900709.db2.gz VTYVAMCFANACLR-UHFFFAOYSA-N 2 1 268.361 -1.029 20 0 CAADMP CN(CC[NH3+])C(=O)C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000423129712 529904892 /nfs/dbraw/zinc/90/48/92/529904892.db2.gz MBULLQGRUQKBSR-UHFFFAOYSA-N 2 1 268.361 -1.042 20 0 CAADMP C[NH2+]CCC(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000262469184 529959310 /nfs/dbraw/zinc/95/93/10/529959310.db2.gz YDSGVCMFHYMWSR-UHFFFAOYSA-N 2 1 256.350 -1.124 20 0 CAADMP C[NH+]1CCC(O)(CNC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000354734563 530050677 /nfs/dbraw/zinc/05/06/77/530050677.db2.gz OVJPQAXBJIXYNA-NSHDSACASA-N 2 1 271.361 -1.110 20 0 CAADMP C[NH+]1CCC(O)(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000354734563 530050678 /nfs/dbraw/zinc/05/06/78/530050678.db2.gz OVJPQAXBJIXYNA-NSHDSACASA-N 2 1 271.361 -1.110 20 0 CAADMP C[NH+]1CCN(C(=O)CCNC(=O)C[C@@H]2C[NH2+]CCO2)CC1 ZINC000430760269 530067020 /nfs/dbraw/zinc/06/70/20/530067020.db2.gz GSBZBAVFYKMWJK-GFCCVEGCSA-N 2 1 298.387 -1.355 20 0 CAADMP C[NH+]1CCN(C(=O)CCNC(=O)C2([NH3+])CC2)CC1 ZINC000430760019 530067346 /nfs/dbraw/zinc/06/73/46/530067346.db2.gz QBWJJZPEIFUZDL-UHFFFAOYSA-N 2 1 254.334 -1.242 20 0 CAADMP C[NH+]1CCN(C(=O)CCNC(=O)C[C@H]2C[NH2+]CCO2)CC1 ZINC000430760270 530067398 /nfs/dbraw/zinc/06/73/98/530067398.db2.gz GSBZBAVFYKMWJK-LBPRGKRZSA-N 2 1 298.387 -1.355 20 0 CAADMP C[NH+]1CCN(C(=O)CCNC(=O)[C@@H]2CC[NH2+]C2)CC1 ZINC000178700753 530067614 /nfs/dbraw/zinc/06/76/14/530067614.db2.gz DALYRNAYUOFPTK-LLVKDONJSA-N 2 1 268.361 -1.124 20 0 CAADMP C[NH+]1CCN(C(=O)CCNC(=O)[C@]2(F)CC[NH2+]C2)CC1 ZINC000178700844 530067689 /nfs/dbraw/zinc/06/76/89/530067689.db2.gz WURHZNGIUSPCNL-ZDUSSCGKSA-N 2 1 286.351 -1.032 20 0 CAADMP C[NH+]1CCN(C(=O)CCNC(=O)[C@@H]2C[NH2+]CCO2)CC1 ZINC000178700565 530067693 /nfs/dbraw/zinc/06/76/93/530067693.db2.gz BZHPRHJZZBVRKW-NSHDSACASA-N 2 1 284.360 -1.745 20 0 CAADMP C[C@@H](C(=O)N[C@H](CO)C[NH+](C)C)N1CC[NH+](C)CC1 ZINC000673520946 545595791 /nfs/dbraw/zinc/59/57/91/545595791.db2.gz MIJPWNYOUKXUCV-RYUDHWBXSA-N 2 1 272.393 -1.339 20 0 CAADMP O[C@@H]1C[C@H](O)C[NH+](CCCC[N@@H+]2C[C@H](O)C[C@H](O)C2)C1 ZINC000674497859 545598579 /nfs/dbraw/zinc/59/85/79/545598579.db2.gz LXWJOZCSQSVNLW-KPWCQOOUSA-N 2 1 288.388 -1.378 20 0 CAADMP O[C@@H]1C[C@H](O)C[NH+](C/C=C/C[N@@H+]2C[C@H](O)C[C@H](O)C2)C1 ZINC000674496738 545598883 /nfs/dbraw/zinc/59/88/83/545598883.db2.gz DFDUAOXDIGMPGT-DFNZGJFHSA-N 2 1 286.372 -1.602 20 0 CAADMP CNC(=O)NC(=O)CC[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000038031427 283345233 /nfs/dbraw/zinc/34/52/33/283345233.db2.gz WUVHPABUBMZVRR-UHFFFAOYSA-N 2 1 285.348 -1.804 20 0 CAADMP C[C@H]1OCC[NH2+][C@@H]1C(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000424187676 291209790 /nfs/dbraw/zinc/20/97/90/291209790.db2.gz BCDFWICPNNFHAB-VWYCJHECSA-N 2 1 257.334 -1.061 20 0 CAADMP C[C@@H](O)C[N@@H+]1CCN(C(=O)[C@H]2C[NH2+]CCO2)C[C@@H]1C ZINC000188187315 296185149 /nfs/dbraw/zinc/18/51/49/296185149.db2.gz LGMNDKZYDVBLJE-QJPTWQEYSA-N 2 1 271.361 -1.112 20 0 CAADMP C[C@@H](O)C[N@H+]1CCN(C(=O)[C@H]2C[NH2+]CCO2)C[C@@H]1C ZINC000188187315 296185151 /nfs/dbraw/zinc/18/51/51/296185151.db2.gz LGMNDKZYDVBLJE-QJPTWQEYSA-N 2 1 271.361 -1.112 20 0 CAADMP COCC[N@H+]1CCC[C@H]1CNC(=O)C(=O)NC1C[NH2+]C1 ZINC000642758444 372820770 /nfs/dbraw/zinc/82/07/70/372820770.db2.gz NHTCIDNDSMCFCC-NSHDSACASA-N 2 1 284.360 -1.699 20 0 CAADMP C[C@@H]1C[C@H](NC(=O)C(=O)NC2C[NH2+]C2)C[N@H+]1C1CC1 ZINC000642718073 372807130 /nfs/dbraw/zinc/80/71/30/372807130.db2.gz AQDQRJQRZLTVSS-BDAKNGLRSA-N 2 1 266.345 -1.184 20 0 CAADMP C[C@H]1C[C@@H](NC(=O)C(=O)NC2C[NH2+]C2)C[N@H+]1C1CC1 ZINC000642718074 372807929 /nfs/dbraw/zinc/80/79/29/372807929.db2.gz AQDQRJQRZLTVSS-DTWKUNHWSA-N 2 1 266.345 -1.184 20 0 CAADMP COCC[N@@H+](C)CCNC(=O)C(=O)N[C@H](C)C[C@@H](C)[NH3+] ZINC000584053730 372815305 /nfs/dbraw/zinc/81/53/05/372815305.db2.gz WGIBBGAPPAXSMM-GHMZBOCLSA-N 2 1 288.392 -1.077 20 0 CAADMP C[N@@H+]1CCO[C@H](C(=O)NC[C@]2(O)C[NH+]3CCC2CC3)C1 ZINC000556852409 372843039 /nfs/dbraw/zinc/84/30/39/372843039.db2.gz CYLYEEYGSRFBMX-JSGCOSHPSA-N 2 1 283.372 -1.110 20 0 CAADMP C[N@H+]1CCO[C@H](C(=O)NC[C@]2(O)C[NH+]3CCC2CC3)C1 ZINC000556852409 372843046 /nfs/dbraw/zinc/84/30/46/372843046.db2.gz CYLYEEYGSRFBMX-JSGCOSHPSA-N 2 1 283.372 -1.110 20 0 CAADMP O[C@@H](CN1CCOCC1)C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000311017652 372843720 /nfs/dbraw/zinc/84/37/20/372843720.db2.gz LBIFMAFSIXLLDC-XQQFMLRXSA-N 2 1 255.362 -1.169 20 0 CAADMP C[N@@H+]1CCO[C@H](C(=O)NC[C@@]2(O)C[NH+]3CCC2CC3)C1 ZINC000556852408 372844117 /nfs/dbraw/zinc/84/41/17/372844117.db2.gz CYLYEEYGSRFBMX-GXTWGEPZSA-N 2 1 283.372 -1.110 20 0 CAADMP C[N@H+]1CCO[C@H](C(=O)NC[C@@]2(O)C[NH+]3CCC2CC3)C1 ZINC000556852408 372844126 /nfs/dbraw/zinc/84/41/26/372844126.db2.gz CYLYEEYGSRFBMX-GXTWGEPZSA-N 2 1 283.372 -1.110 20 0 CAADMP C[N@@H+]1CCO[C@@H](C(=O)NC[C@@]2(O)C[NH+]3CCC2CC3)C1 ZINC000556852411 372844518 /nfs/dbraw/zinc/84/45/18/372844518.db2.gz CYLYEEYGSRFBMX-TZMCWYRMSA-N 2 1 283.372 -1.110 20 0 CAADMP C[N@H+]1CCO[C@@H](C(=O)NC[C@@]2(O)C[NH+]3CCC2CC3)C1 ZINC000556852411 372844526 /nfs/dbraw/zinc/84/45/26/372844526.db2.gz CYLYEEYGSRFBMX-TZMCWYRMSA-N 2 1 283.372 -1.110 20 0 CAADMP O=C(NC1C[NH2+]C1)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000642786001 372844549 /nfs/dbraw/zinc/84/45/49/372844549.db2.gz WMTKAKORMHBAHG-JTQLQIEISA-N 2 1 266.345 -1.325 20 0 CAADMP C[N@@H+]1CCO[C@@H](C(=O)NC[C@]2(O)C[NH+]3CCC2CC3)C1 ZINC000556852410 372844764 /nfs/dbraw/zinc/84/47/64/372844764.db2.gz CYLYEEYGSRFBMX-OCCSQVGLSA-N 2 1 283.372 -1.110 20 0 CAADMP C[N@H+]1CCO[C@@H](C(=O)NC[C@]2(O)C[NH+]3CCC2CC3)C1 ZINC000556852410 372844766 /nfs/dbraw/zinc/84/47/66/372844766.db2.gz CYLYEEYGSRFBMX-OCCSQVGLSA-N 2 1 283.372 -1.110 20 0 CAADMP CNC(=O)NC(=O)[C@H](C)[N@H+](C)CCN1CC[NH2+]CC1 ZINC000071150740 372846456 /nfs/dbraw/zinc/84/64/56/372846456.db2.gz WYUVFPAITWIBRO-JTQLQIEISA-N 2 1 271.365 -1.333 20 0 CAADMP CNC(=O)NC(=O)[C@H](C)[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000071150740 372846460 /nfs/dbraw/zinc/84/64/60/372846460.db2.gz WYUVFPAITWIBRO-JTQLQIEISA-N 2 1 271.365 -1.333 20 0 CAADMP C[C@H](C(=O)NC(N)=O)[N@H+](C)CCN1CC[NH2+]CC1 ZINC000071150750 372846590 /nfs/dbraw/zinc/84/65/90/372846590.db2.gz MNPKDDBFYGIYRF-SECBINFHSA-N 2 1 257.338 -1.593 20 0 CAADMP C[C@H](C(=O)NC(N)=O)[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000071150750 372846600 /nfs/dbraw/zinc/84/66/00/372846600.db2.gz MNPKDDBFYGIYRF-SECBINFHSA-N 2 1 257.338 -1.593 20 0 CAADMP O=C(CNC(=O)N1CC[NH+](C2CC2)CC1)N1CC[NH2+]CC1 ZINC000557205790 372850302 /nfs/dbraw/zinc/85/03/02/372850302.db2.gz FCUXGSCBGJUKAQ-UHFFFAOYSA-N 2 1 295.387 -1.092 20 0 CAADMP C[NH+]1CCC2(CC1)CN(c1nc(N)nc(N)[nH+]1)CCO2 ZINC000624336462 372853463 /nfs/dbraw/zinc/85/34/63/372853463.db2.gz RQMCLIPZFGFDNJ-UHFFFAOYSA-N 2 1 279.348 -1.002 20 0 CAADMP [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)[C@H]2CSC[NH2+]2)C1 ZINC000131752608 372889280 /nfs/dbraw/zinc/88/92/80/372889280.db2.gz LZZYISURDARWHL-NXEZZACHSA-N 2 1 286.401 -1.038 20 0 CAADMP [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)[C@H]2CSC[NH2+]2)C1 ZINC000131752423 372889812 /nfs/dbraw/zinc/88/98/12/372889812.db2.gz LZZYISURDARWHL-VHSXEESVSA-N 2 1 286.401 -1.038 20 0 CAADMP [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)[C@@H]2CSC[NH2+]2)C1 ZINC000131752026 372890309 /nfs/dbraw/zinc/89/03/09/372890309.db2.gz LZZYISURDARWHL-UWVGGRQHSA-N 2 1 286.401 -1.038 20 0 CAADMP CNC(=O)NC(=O)CC[N@@H+](C)CCOCC[NH2+]C ZINC000600728321 372892296 /nfs/dbraw/zinc/89/22/96/372892296.db2.gz OYETUSMVXBQWKW-UHFFFAOYSA-N 2 1 260.338 -1.000 20 0 CAADMP C[N@H+](CCOCC[NH3+])CC(=O)NC(=O)NC1CC1 ZINC000600732757 372892799 /nfs/dbraw/zinc/89/27/99/372892799.db2.gz FJWOFXBKPQELBM-UHFFFAOYSA-N 2 1 258.322 -1.118 20 0 CAADMP C[N@@H+](CCOCC[NH3+])CC(=O)NC(=O)NC1CC1 ZINC000600732757 372892803 /nfs/dbraw/zinc/89/28/03/372892803.db2.gz FJWOFXBKPQELBM-UHFFFAOYSA-N 2 1 258.322 -1.118 20 0 CAADMP CNC(=O)NC(=O)[C@@H](C)[N@@H+](C)CCOCC[NH2+]C ZINC000600729174 372893402 /nfs/dbraw/zinc/89/34/02/372893402.db2.gz FETSDMMAKJFQAS-SECBINFHSA-N 2 1 260.338 -1.002 20 0 CAADMP C[NH+]1CCN(C(=O)CC[N@@H+]2C[C@@H](O)C[C@@H]2CO)CC1 ZINC000338282418 372906591 /nfs/dbraw/zinc/90/65/91/372906591.db2.gz HUZLCWAOZBDPIX-NEPJUHHUSA-N 2 1 271.361 -1.422 20 0 CAADMP C[NH+]1CCN(C(=O)CC[N@H+]2C[C@@H](O)C[C@@H]2CO)CC1 ZINC000338282418 372906595 /nfs/dbraw/zinc/90/65/95/372906595.db2.gz HUZLCWAOZBDPIX-NEPJUHHUSA-N 2 1 271.361 -1.422 20 0 CAADMP CN(CC(=O)N1CCN(C)CC1)[C@H]1C[C@@H](C(N)=O)C1 ZINC000626037450 372914736 /nfs/dbraw/zinc/91/47/36/372914736.db2.gz QDKJGBOHHCNHJG-PHIMTYICSA-N 2 1 268.361 -1.044 20 0 CAADMP O=C(NC1C[NH2+]C1)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000562825468 372952232 /nfs/dbraw/zinc/95/22/32/372952232.db2.gz NMEWHOIKTYZEDP-GHMZBOCLSA-N 2 1 266.345 -1.183 20 0 CAADMP O=C(NC1C[NH2+]C1)C(=O)N1CC[NH+](C2CCC2)CC1 ZINC000642926351 372926225 /nfs/dbraw/zinc/92/62/25/372926225.db2.gz RSJAXSHJUJBNEP-UHFFFAOYSA-N 2 1 266.345 -1.229 20 0 CAADMP O=C(NCC[NH+]1CCSCC1)C(=O)NC1C[NH2+]C1 ZINC000642924137 372926579 /nfs/dbraw/zinc/92/65/79/372926579.db2.gz ZUCQAIAGTCWZBI-UHFFFAOYSA-N 2 1 272.374 -1.761 20 0 CAADMP C[C@@H]1C[N@H+](C)C[C@@H](C(=O)N2C[C@H](O)[C@@H]([NH+](C)C)C2)O1 ZINC000635947899 372976374 /nfs/dbraw/zinc/97/63/74/372976374.db2.gz DSEAGJIYZPCXIA-RHYQMDGZSA-N 2 1 271.361 -1.161 20 0 CAADMP C[C@@H]1C[N@@H+](C)C[C@@H](C(=O)N2C[C@H](O)[C@@H]([NH+](C)C)C2)O1 ZINC000635947899 372976385 /nfs/dbraw/zinc/97/63/85/372976385.db2.gz DSEAGJIYZPCXIA-RHYQMDGZSA-N 2 1 271.361 -1.161 20 0 CAADMP C[NH+](C)[C@H]1CN(C(=O)[C@@H]2C[N@H+]3CCC[C@H]3CO2)C[C@@H]1O ZINC000635948167 372977043 /nfs/dbraw/zinc/97/70/43/372977043.db2.gz JRLIIRRPHPMZCI-CYDGBPFRSA-N 2 1 283.372 -1.017 20 0 CAADMP C[NH+](C)[C@H]1CN(C(=O)[C@H]2C[N@H+]3CCC[C@@H]3CO2)C[C@@H]1O ZINC000635948168 372977061 /nfs/dbraw/zinc/97/70/61/372977061.db2.gz JRLIIRRPHPMZCI-MROQNXINSA-N 2 1 283.372 -1.017 20 0 CAADMP C[C@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@H](O)[C@@H]([NH+](C)C)C2)O1 ZINC000635947898 372977528 /nfs/dbraw/zinc/97/75/28/372977528.db2.gz DSEAGJIYZPCXIA-FIQHERPVSA-N 2 1 271.361 -1.161 20 0 CAADMP C[C@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@H](O)[C@@H]([NH+](C)C)C2)O1 ZINC000635947898 372977532 /nfs/dbraw/zinc/97/75/32/372977532.db2.gz DSEAGJIYZPCXIA-FIQHERPVSA-N 2 1 271.361 -1.161 20 0 CAADMP COCC[N@@H+](C)CCNC(=O)C(=O)N(C)CCC[NH3+] ZINC000570528870 372997042 /nfs/dbraw/zinc/99/70/42/372997042.db2.gz KLXXMQZIPOTGNV-UHFFFAOYSA-N 2 1 274.365 -1.512 20 0 CAADMP [NH3+][C@@H]1C[C@@H]2CN(C(=O)[C@H]3CSC[NH2+]3)CCN2C1=O ZINC000570582596 372997654 /nfs/dbraw/zinc/99/76/54/372997654.db2.gz BBNVOFMAWCCWKU-IWSPIJDZSA-N 2 1 270.358 -1.581 20 0 CAADMP CN1CCN(C(=O)NCC(F)(F)C[NH3+])[C@H](C[NH3+])C1 ZINC000574426982 335019099 /nfs/dbraw/zinc/01/90/99/335019099.db2.gz VUQYGKUDEQSYLV-MRVPVSSYSA-N 3 1 265.308 -1.135 20 0 CAADMP COCC[N@@H+](C)CCNC(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000580052139 373009710 /nfs/dbraw/zinc/00/97/10/373009710.db2.gz IVAJEDLSXKFSEP-GFCCVEGCSA-N 3 1 287.408 -1.151 20 0 CAADMP C[C@@H](C(=O)NCCN1CC[NH2+]CC1)N1CC[NH+](C)CC1 ZINC000569972311 372985555 /nfs/dbraw/zinc/98/55/55/372985555.db2.gz VVMGUBPBTQYWRO-ZDUSSCGKSA-N 2 1 283.420 -1.356 20 0 CAADMP COCC[N@@H+](C)CCNC(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000580052140 373010769 /nfs/dbraw/zinc/01/07/69/373010769.db2.gz IVAJEDLSXKFSEP-LBPRGKRZSA-N 3 1 287.408 -1.151 20 0 CAADMP COCC[N@@H+](C)CCNC(=O)[C@@H]([NH3+])CC(=O)OC ZINC000570206202 372990107 /nfs/dbraw/zinc/99/01/07/372990107.db2.gz DBRNDYMMKDCMRS-VIFPVBQESA-N 2 1 261.322 -1.429 20 0 CAADMP CO[C@@H]1C[NH2+][C@@H](C(=O)NCCC[N@H+]2CCC[C@H]2C(N)=O)C1 ZINC000563074733 373048475 /nfs/dbraw/zinc/04/84/75/373048475.db2.gz MZLAKWVQKQNQKJ-TUAOUCFPSA-N 2 1 298.387 -1.181 20 0 CAADMP COC(=O)CC[C@@H]([NH3+])C(=O)NCC(F)(F)C[NH3+] ZINC000592326715 373069007 /nfs/dbraw/zinc/06/90/07/373069007.db2.gz VPRVVYAHLVQORK-ZCFIWIBFSA-N 2 1 253.249 -1.023 20 0 CAADMP CO[C@@H]1C[NH2+][C@@H](C(=O)NCCC[N@H+]2CCC[C@@H]2C(N)=O)C1 ZINC000563074730 373047086 /nfs/dbraw/zinc/04/70/86/373047086.db2.gz MZLAKWVQKQNQKJ-QJPTWQEYSA-N 2 1 298.387 -1.181 20 0 CAADMP CNC(=O)NC(=O)CC[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000594875330 373105478 /nfs/dbraw/zinc/10/54/78/373105478.db2.gz AZIFHXSOYLVRSN-DTWKUNHWSA-N 2 1 283.332 -1.924 20 0 CAADMP CNC(=O)NC(=O)CC[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000594875330 373105482 /nfs/dbraw/zinc/10/54/82/373105482.db2.gz AZIFHXSOYLVRSN-DTWKUNHWSA-N 2 1 283.332 -1.924 20 0 CAADMP [NH3+]CC(F)(F)CC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000594878976 373106458 /nfs/dbraw/zinc/10/64/58/373106458.db2.gz KRRUXOLTXJOBPL-HTQZYQBOSA-N 2 1 276.287 -1.259 20 0 CAADMP [NH3+]CC(F)(F)CC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000594878983 373108030 /nfs/dbraw/zinc/10/80/30/373108030.db2.gz KRRUXOLTXJOBPL-YUMQZZPRSA-N 2 1 276.287 -1.259 20 0 CAADMP COC(=O)C[C@H]([NH3+])C(=O)NC[C@H]1C[N@H+]2CCN1CCC2 ZINC000595975745 373126848 /nfs/dbraw/zinc/12/68/48/373126848.db2.gz KISNJNVTEFBPGB-QWRGUYRKSA-N 2 1 284.360 -1.617 20 0 CAADMP C[N@H+](CCN1CC[NH2+]CC1)CC(=O)N1CCOCC1 ZINC000071150216 373220013 /nfs/dbraw/zinc/22/00/13/373220013.db2.gz CWLDKCANPLKOON-UHFFFAOYSA-N 2 1 270.377 -1.318 20 0 CAADMP C[N@@H+](CCN1CC[NH2+]CC1)CC(=O)N1CCOCC1 ZINC000071150216 373220015 /nfs/dbraw/zinc/22/00/15/373220015.db2.gz CWLDKCANPLKOON-UHFFFAOYSA-N 2 1 270.377 -1.318 20 0 CAADMP COCC[NH+](C)CCNC(=O)NCC[N@H+]1CC[C@@H](O)C1 ZINC000636709112 373192781 /nfs/dbraw/zinc/19/27/81/373192781.db2.gz MSKNLIRBYSGCNJ-GFCCVEGCSA-N 2 1 288.392 -1.070 20 0 CAADMP COCC[NH+](C)CCNC(=O)NCC[N@H+]1CC[C@H](O)C1 ZINC000636709113 373192842 /nfs/dbraw/zinc/19/28/42/373192842.db2.gz MSKNLIRBYSGCNJ-LBPRGKRZSA-N 2 1 288.392 -1.070 20 0 CAADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)O1 ZINC000602524570 373199898 /nfs/dbraw/zinc/19/98/98/373199898.db2.gz LUQALKULZSKRNM-WISYIIOYSA-N 2 1 296.371 -1.524 20 0 CAADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)O1 ZINC000602524570 373199905 /nfs/dbraw/zinc/19/99/05/373199905.db2.gz LUQALKULZSKRNM-WISYIIOYSA-N 2 1 296.371 -1.524 20 0 CAADMP C[NH+]1CCN(C(=O)CC[NH+](CCO)CCO)CC1 ZINC000338312320 373276511 /nfs/dbraw/zinc/27/65/11/373276511.db2.gz HAEUNYFEXZLRFP-UHFFFAOYSA-N 2 1 259.350 -1.563 20 0 CAADMP C[NH+]1CCN(C(=O)CC[NH+]2C[C@@H](O)[C@H](O)C2)CC1 ZINC000338341830 373277546 /nfs/dbraw/zinc/27/75/46/373277546.db2.gz FTXZKEHXASXOFO-GHMZBOCLSA-N 2 1 257.334 -1.812 20 0 CAADMP C[NH+]1CCN(C(=O)CC[N@@H+]2CC[C@H](NC(N)=O)C2)CC1 ZINC000338285858 373277863 /nfs/dbraw/zinc/27/78/63/373277863.db2.gz LPADJPZITNITSV-NSHDSACASA-N 2 1 283.376 -1.107 20 0 CAADMP C[NH+]1CCN(C(=O)CC[N@H+]2CC[C@H](NC(N)=O)C2)CC1 ZINC000338285858 373277871 /nfs/dbraw/zinc/27/78/71/373277871.db2.gz LPADJPZITNITSV-NSHDSACASA-N 2 1 283.376 -1.107 20 0 CAADMP C[NH+]1CCN(C(=O)CC[N@H+]2C[C@@H](O)[C@@H](O)C2)CC1 ZINC000338341831 373277929 /nfs/dbraw/zinc/27/79/29/373277929.db2.gz FTXZKEHXASXOFO-PHIMTYICSA-N 2 1 257.334 -1.812 20 0 CAADMP C[NH+]1CCN(C(=O)CC[N@@H+]2C[C@@H](O)[C@@H](O)C2)CC1 ZINC000338341831 373277931 /nfs/dbraw/zinc/27/79/31/373277931.db2.gz FTXZKEHXASXOFO-PHIMTYICSA-N 2 1 257.334 -1.812 20 0 CAADMP CCN1CCN(S(=O)(=O)C[C@H]2CNCCO2)CC1 ZINC000310793204 373246290 /nfs/dbraw/zinc/24/62/90/373246290.db2.gz BHNODZOFYQNHKR-LLVKDONJSA-N 2 1 277.390 -1.058 20 0 CAADMP C[NH+]1CCN(C(=O)CC[NH2+]C2(C(N)=O)CC2)CC1 ZINC000338284406 373278390 /nfs/dbraw/zinc/27/83/90/373278390.db2.gz APDGOKHQSBVRAK-UHFFFAOYSA-N 2 1 254.334 -1.242 20 0 CAADMP COCC[N@@H+](C)CCNC(=O)CNC(=O)[C@H]([NH3+])C(C)C ZINC000336826725 373248990 /nfs/dbraw/zinc/24/89/90/373248990.db2.gz UGGUNPOCRIXKME-GFCCVEGCSA-N 2 1 288.392 -1.220 20 0 CAADMP O=C([C@H]1CC[NH2+]1)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000571402692 373305778 /nfs/dbraw/zinc/30/57/78/373305778.db2.gz XIFPRZOPJRURSZ-SNVBAGLBSA-N 2 1 288.373 -2.206 20 0 CAADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC(=O)N2CC[NH2+]CC2)O1 ZINC000637813071 373352088 /nfs/dbraw/zinc/35/20/88/373352088.db2.gz JBEMWDNEYRVHSH-GHMZBOCLSA-N 2 1 284.360 -1.747 20 0 CAADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC(=O)N2CC[NH2+]CC2)O1 ZINC000637813071 373352093 /nfs/dbraw/zinc/35/20/93/373352093.db2.gz JBEMWDNEYRVHSH-GHMZBOCLSA-N 2 1 284.360 -1.747 20 0 CAADMP Cc1c[nH+]cn1CC(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000637811932 373352122 /nfs/dbraw/zinc/35/21/22/373352122.db2.gz ZLCNHPAELWLYHT-UHFFFAOYSA-N 2 1 265.317 -1.260 20 0 CAADMP O=C(CNC(=O)[C@@H]1C[N@H+]2CCC[C@@H]2CO1)N1CC[NH2+]CC1 ZINC000637812801 373352154 /nfs/dbraw/zinc/35/21/54/373352154.db2.gz CPBJWMDESDCRNI-NEPJUHHUSA-N 2 1 296.371 -1.602 20 0 CAADMP Cc1[nH+]ccn1CC(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000637810660 373354407 /nfs/dbraw/zinc/35/44/07/373354407.db2.gz NCBGPGIERGMCCD-UHFFFAOYSA-N 2 1 265.317 -1.260 20 0 CAADMP C[C@H]([NH3+])CC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000638349485 373417441 /nfs/dbraw/zinc/41/74/41/373417441.db2.gz NLRKYALKNRVTPC-VIFPVBQESA-N 2 1 290.389 -1.831 20 0 CAADMP C[C@@]1(C(=O)NCCC[N@H+]2CCC[C@H]2C(N)=O)C[NH2+]CCO1 ZINC000638496517 373427838 /nfs/dbraw/zinc/42/78/38/373427838.db2.gz SMLRXWIMHWBVKO-FZMZJTMJSA-N 2 1 298.387 -1.179 20 0 CAADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)[C@]1(C)C[NH2+]CCO1 ZINC000638139561 373392975 /nfs/dbraw/zinc/39/29/75/373392975.db2.gz MCJYRUCHTFLNQW-AAEUAGOBSA-N 2 1 270.377 -1.273 20 0 CAADMP [NH3+][C@@H]1CCO[C@@H]1C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000638174060 373395697 /nfs/dbraw/zinc/39/56/97/373395697.db2.gz NDOSZACSTUCEPI-LOWVWBTDSA-N 2 1 296.371 -1.475 20 0 CAADMP CN1CCOC[C@@H]1CNC(=O)[C@@]1(C)CNCCO1 ZINC000638609196 373443390 /nfs/dbraw/zinc/44/33/90/373443390.db2.gz FMEIVJRFUAVJMK-CMPLNLGQSA-N 2 1 257.334 -1.188 20 0 CAADMP O=C(NC[C@@H]1COCC[NH2+]1)[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000638612875 373444896 /nfs/dbraw/zinc/44/48/96/373444896.db2.gz SVTRFMYXGVDNSH-GRYCIOLGSA-N 2 1 269.345 -1.046 20 0 CAADMP O=C(NC[C@@H]1COCC[NH2+]1)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000638612877 373446112 /nfs/dbraw/zinc/44/61/12/373446112.db2.gz SVTRFMYXGVDNSH-UTUOFQBUSA-N 2 1 269.345 -1.046 20 0 CAADMP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2COCC[NH2+]2)C1 ZINC000638616017 373446430 /nfs/dbraw/zinc/44/64/30/373446430.db2.gz LFRWVVFLTDINEZ-WDEREUQCSA-N 2 1 257.334 -1.188 20 0 CAADMP CC[N@H+]1CCO[C@@H](C(=O)NC[C@H]2COCC[NH2+]2)C1 ZINC000638616017 373446433 /nfs/dbraw/zinc/44/64/33/373446433.db2.gz LFRWVVFLTDINEZ-WDEREUQCSA-N 2 1 257.334 -1.188 20 0 CAADMP CCNC(=O)C[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000063179682 373500701 /nfs/dbraw/zinc/50/07/01/373500701.db2.gz DYXCIQWGSPIQLM-JTQLQIEISA-N 2 1 256.350 -1.091 20 0 CAADMP C[C@@H]1OCC[NH2+][C@H]1C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000343603385 373509661 /nfs/dbraw/zinc/50/96/61/373509661.db2.gz SAGCZNBFFSFCLQ-RWMBFGLXSA-N 2 1 282.388 -1.131 20 0 CAADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)[C@@H]1C[NH+]2CCN1CCC2 ZINC000343620982 373509844 /nfs/dbraw/zinc/50/98/44/373509844.db2.gz JAYLGWMIUIKQGY-KGLIPLIRSA-N 2 1 295.431 -1.262 20 0 CAADMP CN1CC[NH+](C)C[C@H]1CNC(=O)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000343620982 373509849 /nfs/dbraw/zinc/50/98/49/373509849.db2.gz JAYLGWMIUIKQGY-KGLIPLIRSA-N 2 1 295.431 -1.262 20 0 CAADMP CN1CC[NH+](C)C[C@H]1CNC(=O)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000343620982 373509854 /nfs/dbraw/zinc/50/98/54/373509854.db2.gz JAYLGWMIUIKQGY-KGLIPLIRSA-N 2 1 295.431 -1.262 20 0 CAADMP C[C@H]1OCC[NH2+][C@@H]1C(=O)NCCCN1CC[NH2+]CC1 ZINC000343675412 373513182 /nfs/dbraw/zinc/51/31/82/373513182.db2.gz SULNGDFWENJXKZ-NEPJUHHUSA-N 2 1 270.377 -1.225 20 0 CAADMP C[C@H]1OCC[NH2+][C@H]1C(=O)NCCCN1CC[NH2+]CC1 ZINC000343675424 373513264 /nfs/dbraw/zinc/51/32/64/373513264.db2.gz SULNGDFWENJXKZ-VXGBXAGGSA-N 2 1 270.377 -1.225 20 0 CAADMP O=C([C@H]1COCC[NH2+]1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000343629925 373513277 /nfs/dbraw/zinc/51/32/77/373513277.db2.gz SHWHGLAFKBLSDI-VXGBXAGGSA-N 2 1 268.361 -1.519 20 0 CAADMP C[NH+]1CCN(C(=O)CC[N@@H+]2CC[C@@](O)(C(N)=O)C2)CC1 ZINC000348200783 373544523 /nfs/dbraw/zinc/54/45/23/373544523.db2.gz GVFRZXGLQYXTQH-ZDUSSCGKSA-N 2 1 284.360 -1.927 20 0 CAADMP C[NH+]1CCN(C(=O)CC[N@H+]2CC[C@@](O)(C(N)=O)C2)CC1 ZINC000348200783 373544533 /nfs/dbraw/zinc/54/45/33/373544533.db2.gz GVFRZXGLQYXTQH-ZDUSSCGKSA-N 2 1 284.360 -1.927 20 0 CAADMP C[NH+]1CCN(C(=O)CC[N@@H+]2CC[C@](O)(C(N)=O)C2)CC1 ZINC000348200779 373546019 /nfs/dbraw/zinc/54/60/19/373546019.db2.gz GVFRZXGLQYXTQH-CYBMUJFWSA-N 2 1 284.360 -1.927 20 0 CAADMP C[NH+]1CCN(C(=O)CC[N@H+]2CC[C@](O)(C(N)=O)C2)CC1 ZINC000348200779 373546027 /nfs/dbraw/zinc/54/60/27/373546027.db2.gz GVFRZXGLQYXTQH-CYBMUJFWSA-N 2 1 284.360 -1.927 20 0 CAADMP [NH3+][C@@H]1CC[C@@H]2C[N@H+](CC(=O)N3CCNC(=O)C3)C[C@@H]12 ZINC000351482363 373572694 /nfs/dbraw/zinc/57/26/94/373572694.db2.gz ZHKDBWHSSXOSNG-GMTAPVOTSA-N 2 1 266.345 -1.386 20 0 CAADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](CC(=O)N3CCNC(=O)C3)C[C@@H]12 ZINC000351482363 373572701 /nfs/dbraw/zinc/57/27/01/373572701.db2.gz ZHKDBWHSSXOSNG-GMTAPVOTSA-N 2 1 266.345 -1.386 20 0 CAADMP COCC[NH+]1CCN(C(=O)CNC(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000351546747 373574238 /nfs/dbraw/zinc/57/42/38/373574238.db2.gz ZQFNWGUORZYDRX-GFCCVEGCSA-N 2 1 298.387 -1.355 20 0 CAADMP COCC[N@@H+](C)CCNC(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000351527339 373574969 /nfs/dbraw/zinc/57/49/69/373574969.db2.gz ZSISMAMOXJOUIA-LLVKDONJSA-N 2 1 286.376 -1.451 20 0 CAADMP C[NH2+]CC(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000186637177 373637260 /nfs/dbraw/zinc/63/72/60/373637260.db2.gz RTCYRBKYXYFXLP-SNVBAGLBSA-N 2 1 254.334 -1.371 20 0 CAADMP CC[N@@H+](CCNC(=O)C(=O)NC1C[NH2+]C1)C(C)C ZINC000583312439 373640052 /nfs/dbraw/zinc/64/00/52/373640052.db2.gz CLMBAQDHQHDXCT-UHFFFAOYSA-N 2 1 256.350 -1.079 20 0 CAADMP C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)N3C[C@@H]4C[C@H]3C[NH2+]4)C[C@@H]21 ZINC000633114431 373652942 /nfs/dbraw/zinc/65/29/42/373652942.db2.gz XAKRFHHAAVNDQS-RHYQMDGZSA-N 2 1 278.356 -1.278 20 0 CAADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)[C@H](N)CC(N)=O)C1 ZINC000353083045 373601097 /nfs/dbraw/zinc/60/10/97/373601097.db2.gz CYYCIEXIHMCUSV-WDEREUQCSA-N 2 1 286.376 -1.338 20 0 CAADMP C[C@@H]1OCC[NH2+][C@H]1C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000357266507 373613314 /nfs/dbraw/zinc/61/33/14/373613314.db2.gz IOZBISDUGYCLEZ-RWMBFGLXSA-N 2 1 282.388 -1.131 20 0 CAADMP COCC[N@@H+](C)CCNC(=O)C(=O)N(C)CC[NH+](C)C ZINC000358557350 373617704 /nfs/dbraw/zinc/61/77/04/373617704.db2.gz HRLXKBCXNQPXFO-UHFFFAOYSA-N 2 1 288.392 -1.299 20 0 CAADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N(CC[NH3+])CCO ZINC000419521826 373670855 /nfs/dbraw/zinc/67/08/55/373670855.db2.gz KVLNEJGOEGGLTO-NSHDSACASA-N 2 1 288.392 -1.388 20 0 CAADMP C[N@@H+](CCNC(=O)C(=O)NCC(F)(F)CN)C1CC1 ZINC000419102525 373671377 /nfs/dbraw/zinc/67/13/77/373671377.db2.gz LANWCSBXDZEYNX-UHFFFAOYSA-N 2 1 278.303 -1.093 20 0 CAADMP C[N@H+](CCNC(=O)C(=O)NCC(F)(F)C[NH3+])C1CC1 ZINC000419102525 373671383 /nfs/dbraw/zinc/67/13/83/373671383.db2.gz LANWCSBXDZEYNX-UHFFFAOYSA-N 2 1 278.303 -1.093 20 0 CAADMP C[N@@H+](CCNC(=O)C(=O)NCC(F)(F)C[NH3+])C1CC1 ZINC000419102525 373671385 /nfs/dbraw/zinc/67/13/85/373671385.db2.gz LANWCSBXDZEYNX-UHFFFAOYSA-N 2 1 278.303 -1.093 20 0 CAADMP C[NH2+]C[C@H](O)CNC[C@@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000572880701 373677975 /nfs/dbraw/zinc/67/79/75/373677975.db2.gz KCFZUUFBRWASNG-QNWHQSFQSA-N 2 1 275.393 -1.374 20 0 CAADMP CN(C)S(=O)(=O)CC[N@H+](C)CCN1CC[NH2+]CC1 ZINC000380677290 373681619 /nfs/dbraw/zinc/68/16/19/373681619.db2.gz OVQYWXGLQSNICQ-UHFFFAOYSA-N 2 1 278.422 -1.285 20 0 CAADMP CN(C)S(=O)(=O)CC[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000380677290 373681628 /nfs/dbraw/zinc/68/16/28/373681628.db2.gz OVQYWXGLQSNICQ-UHFFFAOYSA-N 2 1 278.422 -1.285 20 0 CAADMP C[C@@H]1CN(C(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)C[C@H](C)[N@H+]1C ZINC000423701239 373694050 /nfs/dbraw/zinc/69/40/50/373694050.db2.gz VFTATMHJKQVMHD-TUAOUCFPSA-N 2 1 298.387 -1.277 20 0 CAADMP C[C@@H]1CN(C(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)C[C@H](C)[N@@H+]1C ZINC000423701239 373694056 /nfs/dbraw/zinc/69/40/56/373694056.db2.gz VFTATMHJKQVMHD-TUAOUCFPSA-N 2 1 298.387 -1.277 20 0 CAADMP [NH3+]CCOCC[NH+]1CCN(c2nccnn2)CC1 ZINC000629552189 373776976 /nfs/dbraw/zinc/77/69/76/373776976.db2.gz DVCJIIZMQDRJEO-UHFFFAOYSA-N 2 1 252.322 -1.031 20 0 CAADMP C[NH+]1CCN(C(=O)CCNC(=O)N[C@@H]2CC[NH2+]C2)CC1 ZINC000626934214 373728850 /nfs/dbraw/zinc/72/88/50/373728850.db2.gz VRIBNEWOCZYMOZ-LLVKDONJSA-N 2 1 283.376 -1.188 20 0 CAADMP C[NH2+]CC(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000430892146 373739605 /nfs/dbraw/zinc/73/96/05/373739605.db2.gz BEILOMMLZYINEU-JTQLQIEISA-N 2 1 256.350 -1.091 20 0 CAADMP C[NH+]1CCN(CC(=O)N[C@H](CO)C[NH+]2CCCC2)CC1 ZINC000640324592 373753699 /nfs/dbraw/zinc/75/36/99/373753699.db2.gz TYALWFHFDDJUHF-ZDUSSCGKSA-N 2 1 284.404 -1.193 20 0 CAADMP C[NH+]1CCN(CC(=O)N[C@@H](CO)C[NH+]2CCCC2)CC1 ZINC000640324591 373754265 /nfs/dbraw/zinc/75/42/65/373754265.db2.gz TYALWFHFDDJUHF-CYBMUJFWSA-N 2 1 284.404 -1.193 20 0 CAADMP O=C1CNC(=O)N1CC[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000629566090 373776284 /nfs/dbraw/zinc/77/62/84/373776284.db2.gz LUDMNVHVIJJDOO-JTQLQIEISA-N 2 1 270.333 -1.416 20 0 CAADMP CN(C(=O)[C@H]([NH3+])CC(N)=O)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000438882084 373762925 /nfs/dbraw/zinc/76/29/25/373762925.db2.gz HZPBLUJRACKWIS-NXEZZACHSA-N 2 1 254.334 -1.116 20 0 CAADMP CN(C(=O)[C@H]([NH3+])CC(N)=O)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000438882084 373762934 /nfs/dbraw/zinc/76/29/34/373762934.db2.gz HZPBLUJRACKWIS-NXEZZACHSA-N 2 1 254.334 -1.116 20 0 CAADMP NCC(F)(F)CNC(=O)NCC[N@H+]1CC[C@@H](O)C1 ZINC000627085153 373838565 /nfs/dbraw/zinc/83/85/65/373838565.db2.gz UPFMSMAXJNLSDM-MRVPVSSYSA-N 2 1 266.292 -1.054 20 0 CAADMP [NH3+]CC(F)(F)CNC(=O)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000627085153 373838576 /nfs/dbraw/zinc/83/85/76/373838576.db2.gz UPFMSMAXJNLSDM-MRVPVSSYSA-N 2 1 266.292 -1.054 20 0 CAADMP COC[C@@H](C(N)=O)[N@H+](C)CCC(=O)N1CC[NH2+]CC1 ZINC000641806851 373814419 /nfs/dbraw/zinc/81/44/19/373814419.db2.gz RSEWXLGDDXDJFD-JTQLQIEISA-N 2 1 272.349 -1.760 20 0 CAADMP COC[C@@H](C(N)=O)[N@@H+](C)CCC(=O)N1CC[NH2+]CC1 ZINC000641806851 373814427 /nfs/dbraw/zinc/81/44/27/373814427.db2.gz RSEWXLGDDXDJFD-JTQLQIEISA-N 2 1 272.349 -1.760 20 0 CAADMP C[N@@H+]1CCN(C(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)CC1(C)C ZINC000641825359 373814607 /nfs/dbraw/zinc/81/46/07/373814607.db2.gz SJIVQWHVUKSPRL-NSHDSACASA-N 2 1 298.387 -1.275 20 0 CAADMP C[N@H+]1CCN(C(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)CC1(C)C ZINC000641825359 373814619 /nfs/dbraw/zinc/81/46/19/373814619.db2.gz SJIVQWHVUKSPRL-NSHDSACASA-N 2 1 298.387 -1.275 20 0 CAADMP COC[C@@H](C(N)=O)[N@H+](C)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000641804379 373814781 /nfs/dbraw/zinc/81/47/81/373814781.db2.gz ICAHYXBCILWKEF-UWVGGRQHSA-N 2 1 257.334 -1.061 20 0 CAADMP COC[C@@H](C(N)=O)[N@@H+](C)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000641804379 373814799 /nfs/dbraw/zinc/81/47/99/373814799.db2.gz ICAHYXBCILWKEF-UWVGGRQHSA-N 2 1 257.334 -1.061 20 0 CAADMP CN(CC[NH3+])C(=O)C(=O)N1CC[N@H+](C)C(C)(C)C1 ZINC000641824218 373814847 /nfs/dbraw/zinc/81/48/47/373814847.db2.gz FYBHQCJBBDRXKF-UHFFFAOYSA-N 2 1 256.350 -1.044 20 0 CAADMP CN(CC[NH3+])C(=O)C(=O)N1CC[N@@H+](C)C(C)(C)C1 ZINC000641824218 373814856 /nfs/dbraw/zinc/81/48/56/373814856.db2.gz FYBHQCJBBDRXKF-UHFFFAOYSA-N 2 1 256.350 -1.044 20 0 CAADMP C[N@@H+](CCCS(N)(=O)=O)CCN1CC[NH2+]CC1 ZINC000641797108 373814927 /nfs/dbraw/zinc/81/49/27/373814927.db2.gz URNYSSLNFKBPTB-UHFFFAOYSA-N 2 1 264.395 -1.498 20 0 CAADMP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]CC(=O)N1CCNC(=O)C1 ZINC000641808569 373815048 /nfs/dbraw/zinc/81/50/48/373815048.db2.gz YYMUVLPRXFPFFO-BDAKNGLRSA-N 2 1 254.334 -1.340 20 0 CAADMP NCC(F)(F)CNC(=O)NCC[N@H+]1CC[C@H](O)C1 ZINC000627085157 373839639 /nfs/dbraw/zinc/83/96/39/373839639.db2.gz UPFMSMAXJNLSDM-QMMMGPOBSA-N 2 1 266.292 -1.054 20 0 CAADMP [NH3+]CC(F)(F)CNC(=O)NCC[N@@H+]1CC[C@H](O)C1 ZINC000627085157 373839644 /nfs/dbraw/zinc/83/96/44/373839644.db2.gz UPFMSMAXJNLSDM-QMMMGPOBSA-N 2 1 266.292 -1.054 20 0 CAADMP CN1CCOC[C@H]1CNC(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000623600683 373825156 /nfs/dbraw/zinc/82/51/56/373825156.db2.gz XWUWZYBVEFYQFN-CHWSQXEVSA-N 2 1 299.419 -1.138 20 0 CAADMP CN1CCN(C)[C@H](CNC(=O)NC[C@@H]2COCCN2C)C1 ZINC000623600683 373825164 /nfs/dbraw/zinc/82/51/64/373825164.db2.gz XWUWZYBVEFYQFN-CHWSQXEVSA-N 2 1 299.419 -1.138 20 0 CAADMP C[NH+](C)C1(CS(=O)(=O)NC[C@H]2C[NH2+]CCO2)CC1 ZINC000631944304 373825217 /nfs/dbraw/zinc/82/52/17/373825217.db2.gz TWAULVYSNKJOCN-SNVBAGLBSA-N 2 1 277.390 -1.012 20 0 CAADMP C[NH+](C)C1(CS(=O)(=O)NC[C@@H]2C[NH2+]CCO2)CC1 ZINC000631944303 373826619 /nfs/dbraw/zinc/82/66/19/373826619.db2.gz TWAULVYSNKJOCN-JTQLQIEISA-N 2 1 277.390 -1.012 20 0 CAADMP Cn1nnnc1CC[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000629575708 373778369 /nfs/dbraw/zinc/77/83/69/373778369.db2.gz PKRYONICQNIHIY-JTQLQIEISA-N 2 1 254.338 -1.201 20 0 CAADMP O=C(CNC(=O)NCC[N@@H+]1CC[C@@H](O)C1)N1CC[NH2+]CC1 ZINC000627064805 373837019 /nfs/dbraw/zinc/83/70/19/373837019.db2.gz WYADFVQWTVUNSC-LLVKDONJSA-N 2 1 299.375 -2.216 20 0 CAADMP C[N@H+](CCOCC[NH3+])CC(=O)N1CCNC(=O)C1 ZINC000629579705 373779729 /nfs/dbraw/zinc/77/97/29/373779729.db2.gz PPXIPAAAVMKCRT-UHFFFAOYSA-N 2 1 258.322 -2.148 20 0 CAADMP C[N@@H+](CCOCC[NH3+])CC(=O)N1CCNC(=O)C1 ZINC000629579705 373779736 /nfs/dbraw/zinc/77/97/36/373779736.db2.gz PPXIPAAAVMKCRT-UHFFFAOYSA-N 2 1 258.322 -2.148 20 0 CAADMP C[NH2+]CCOCC[N@@H+](C)Cc1cn(C)c(=O)n(C)c1=O ZINC000629653956 373781501 /nfs/dbraw/zinc/78/15/01/373781501.db2.gz SJOPWMIUQPNJFB-UHFFFAOYSA-N 2 1 284.360 -1.248 20 0 CAADMP O=C(NCCCN1CC[NH2+]CC1)NCC[N@@H+]1CC[C@H](O)C1 ZINC000627064849 373837407 /nfs/dbraw/zinc/83/74/07/373837407.db2.gz XWWDTOCIDHGYCX-ZDUSSCGKSA-N 2 1 299.419 -1.353 20 0 CAADMP CN1CCO[C@@H](C(=O)NCC[N@H+]2CC[C@H](O)C2)C1 ZINC000629913608 373790956 /nfs/dbraw/zinc/79/09/56/373790956.db2.gz HYMWLYOGJSNFGE-WDEREUQCSA-N 2 1 257.334 -1.500 20 0 CAADMP CN1CCO[C@@H](C(=O)NCCN2CC[C@H](O)C2)C1 ZINC000629913608 373790960 /nfs/dbraw/zinc/79/09/60/373790960.db2.gz HYMWLYOGJSNFGE-WDEREUQCSA-N 2 1 257.334 -1.500 20 0 CAADMP CC[N@@H+](C)C[C@H](O)Cn1cc(CN2CC[NH2+]CC2)nn1 ZINC000641222890 373800301 /nfs/dbraw/zinc/80/03/01/373800301.db2.gz OIOBHLNVJJLJQN-ZDUSSCGKSA-N 2 1 282.392 -1.004 20 0 CAADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@H](CO)C[NH+](C)C)C1 ZINC000614844894 373897119 /nfs/dbraw/zinc/89/71/19/373897119.db2.gz ANWRZEDKKYTWSW-QWRGUYRKSA-N 2 1 259.350 -1.254 20 0 CAADMP CC[N@H+]1CCO[C@H](C(=O)N[C@H](CO)C[NH+](C)C)C1 ZINC000614844894 373897120 /nfs/dbraw/zinc/89/71/20/373897120.db2.gz ANWRZEDKKYTWSW-QWRGUYRKSA-N 2 1 259.350 -1.254 20 0 CAADMP C[NH2+]CCOCCNC(=O)N1CC[N@H+](CCO)C[C@@H]1C ZINC000627171371 373843973 /nfs/dbraw/zinc/84/39/73/373843973.db2.gz CRKSBLCYWVCWCA-LBPRGKRZSA-N 2 1 288.392 -1.070 20 0 CAADMP C[NH2+]CCOCCNC(=O)N1CC[N@@H+](CCO)C[C@@H]1C ZINC000627171371 373843986 /nfs/dbraw/zinc/84/39/86/373843986.db2.gz CRKSBLCYWVCWCA-LBPRGKRZSA-N 2 1 288.392 -1.070 20 0 CAADMP C[NH2+]CCOCCNC(=O)N1CC[NH+](C[C@H](C)O)CC1 ZINC000627173152 373845155 /nfs/dbraw/zinc/84/51/55/373845155.db2.gz OVEMXHQXVSEPBX-LBPRGKRZSA-N 2 1 288.392 -1.070 20 0 CAADMP CC[N@@H+](CCO)CCNC(=O)NC[C@H]1COCC[NH2+]1 ZINC000627189953 373846964 /nfs/dbraw/zinc/84/69/64/373846964.db2.gz NXYHTUPFBMFRCY-NSHDSACASA-N 2 1 274.365 -1.412 20 0 CAADMP O=C(NC[C@@H]1COCC[NH2+]1)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000627190500 373847165 /nfs/dbraw/zinc/84/71/65/373847165.db2.gz NVADJSWLVMUZNB-GRYCIOLGSA-N 2 1 284.360 -1.565 20 0 CAADMP O=C(NCC[N@@H+]1CC[C@H](O)C1)NC[C@@H]1COCC[NH2+]1 ZINC000627191887 373847206 /nfs/dbraw/zinc/84/72/06/373847206.db2.gz JASREXSLHRZDDO-MNOVXSKESA-N 2 1 272.349 -1.659 20 0 CAADMP C[N@H+]1CC[C@](O)(CNC(=O)NC[C@@H]2COCC[NH2+]2)C1 ZINC000627190096 373847878 /nfs/dbraw/zinc/84/78/78/373847878.db2.gz UTDGGUGMDBMLSK-PWSUYJOCSA-N 2 1 272.349 -1.659 20 0 CAADMP C[N@H+]1CC[C@@](O)(CNC(=O)NC[C@H]2COCC[NH2+]2)C1 ZINC000627190094 373847978 /nfs/dbraw/zinc/84/79/78/373847978.db2.gz UTDGGUGMDBMLSK-CMPLNLGQSA-N 2 1 272.349 -1.659 20 0 CAADMP C[N@H+]1CC[C@@](O)(CNC(=O)NCCOCCC[NH3+])C1 ZINC000627216647 373854148 /nfs/dbraw/zinc/85/41/48/373854148.db2.gz TYCPTHVJUWZWOQ-GFCCVEGCSA-N 2 1 274.365 -1.282 20 0 CAADMP C[NH2+]C[C@@](C)(O)CN1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000566351471 373945365 /nfs/dbraw/zinc/94/53/65/373945365.db2.gz KNHTWMKRRKZOGW-TZMCWYRMSA-N 2 1 284.404 -1.147 20 0 CAADMP C[NH2+]C[C@](C)(O)CN1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000566351469 373946520 /nfs/dbraw/zinc/94/65/20/373946520.db2.gz KNHTWMKRRKZOGW-JSGCOSHPSA-N 2 1 284.404 -1.147 20 0 CAADMP [NH3+][C@H]1C[C@@H]2C[N@H+](CCC(=O)N3CCOCC3)CCN2C1=O ZINC000566631084 373950578 /nfs/dbraw/zinc/95/05/78/373950578.db2.gz KGACZXHGFNABRA-NEPJUHHUSA-N 2 1 296.371 -1.521 20 0 CAADMP [NH3+][C@H]1C[C@@H]2C[N@@H+](CCC(=O)N3CCOCC3)CCN2C1=O ZINC000566631084 373950587 /nfs/dbraw/zinc/95/05/87/373950587.db2.gz KGACZXHGFNABRA-NEPJUHHUSA-N 2 1 296.371 -1.521 20 0 CAADMP Cc1[nH+]ccn1CCNC(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000566927245 373951539 /nfs/dbraw/zinc/95/15/39/373951539.db2.gz XTWHBAUNLIUCED-JTQLQIEISA-N 2 1 265.317 -1.214 20 0 CAADMP O=C(CNC(=O)NCC[N@@H+]1CC=CCC1)N1CC[NH2+]CC1 ZINC000566845830 373951570 /nfs/dbraw/zinc/95/15/70/373951570.db2.gz RJHAEUICDCAMNS-UHFFFAOYSA-N 2 1 295.387 -1.021 20 0 CAADMP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)NC2C[NH2+]C2)C[C@H](C)O1 ZINC000567223242 373953109 /nfs/dbraw/zinc/95/31/09/373953109.db2.gz BEPGVZDIPXPBAQ-PHIMTYICSA-N 2 1 298.387 -1.310 20 0 CAADMP CN1CC[N@H+](C[C@@H]2CCCN(C(=O)C[NH3+])C2)CC1=O ZINC000568007723 373965131 /nfs/dbraw/zinc/96/51/31/373965131.db2.gz YNSKAFGAZPERTP-NSHDSACASA-N 2 1 268.361 -1.042 20 0 CAADMP CN1CC[N@@H+](C[C@@H]2CCCN(C(=O)C[NH3+])C2)CC1=O ZINC000568007723 373965134 /nfs/dbraw/zinc/96/51/34/373965134.db2.gz YNSKAFGAZPERTP-NSHDSACASA-N 2 1 268.361 -1.042 20 0 CAADMP C[C@@H]1CN(C(=O)C(=O)NC2C[NH2+]C2)CC[N@@H+]1CC(C)(C)O ZINC000567573513 373959620 /nfs/dbraw/zinc/95/96/20/373959620.db2.gz JSNADRCNRZRNSB-SNVBAGLBSA-N 2 1 298.387 -1.622 20 0 CAADMP C[C@@H]1CN(C(=O)C(=O)NC2C[NH2+]C2)CC[N@H+]1CC(C)(C)O ZINC000567573513 373959629 /nfs/dbraw/zinc/95/96/29/373959629.db2.gz JSNADRCNRZRNSB-SNVBAGLBSA-N 2 1 298.387 -1.622 20 0 CAADMP COCC[NH2+]CCNC(=O)[C@@H](C)N1CC[NH+](C)CC1 ZINC000567736201 373959751 /nfs/dbraw/zinc/95/97/51/373959751.db2.gz QFZTXCJSMUDXKV-GFCCVEGCSA-N 2 1 272.393 -1.026 20 0 CAADMP C[C@H]1CCC[N@@H+](CCNC(=O)C(=O)NC2C[NH2+]C2)C1 ZINC000567873672 373962621 /nfs/dbraw/zinc/96/26/21/373962621.db2.gz LCBUWOTUDXACEW-JTQLQIEISA-N 2 1 268.361 -1.078 20 0 CAADMP C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)NC1C[NH2+]C1 ZINC000578865756 373995329 /nfs/dbraw/zinc/99/53/29/373995329.db2.gz OKWHBSJOROOYQD-GZMMTYOYSA-N 2 1 266.345 -1.327 20 0 CAADMP C[C@@](O)(CNC(=O)N[C@H]1CC[NH2+]C1)C[NH+]1CCOCC1 ZINC000578884666 373995693 /nfs/dbraw/zinc/99/56/93/373995693.db2.gz XWZAFQJJOVOXDV-WCQYABFASA-N 2 1 286.376 -1.269 20 0 CAADMP COCC[N@H+]1CC[C@H](NC(=O)N2CCN(C)C[C@@H]2C[NH3+])C1 ZINC000578742608 373995796 /nfs/dbraw/zinc/99/57/96/373995796.db2.gz AXYDALOIPWHJMB-STQMWFEESA-N 2 1 299.419 -1.009 20 0 CAADMP NC(=O)C[N@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000573121436 373980310 /nfs/dbraw/zinc/98/03/10/373980310.db2.gz BLDQOVFFPATILQ-SNVBAGLBSA-N 2 1 254.334 -1.385 20 0 CAADMP NC(=O)CN1CC[N@H+](CC2CC[NH2+]CC2)CC1=O ZINC000573120518 373981060 /nfs/dbraw/zinc/98/10/60/373981060.db2.gz SZDGOOGTHIZQTD-UHFFFAOYSA-N 2 1 254.334 -1.385 20 0 CAADMP NC(=O)CN1CC[N@@H+](CC2CC[NH2+]CC2)CC1=O ZINC000573120518 373981067 /nfs/dbraw/zinc/98/10/67/373981067.db2.gz SZDGOOGTHIZQTD-UHFFFAOYSA-N 2 1 254.334 -1.385 20 0 CAADMP COCC[N@H+]1CC[C@@H](NC(=O)[C@@H]([NH3+])CC(=O)OC)C1 ZINC000573680997 373982637 /nfs/dbraw/zinc/98/26/37/373982637.db2.gz MSIQSJCJYWVZGG-ZJUUUORDSA-N 2 1 273.333 -1.286 20 0 CAADMP COCC[N@@H+](C)C[C@@H](O)CN1C[C@H](O)[C@@H]([NH+](C)C)C1 ZINC000573741007 373984429 /nfs/dbraw/zinc/98/44/29/373984429.db2.gz LGJAMQIGHJOJSC-AGIUHOORSA-N 2 1 275.393 -1.468 20 0 CAADMP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2C[NH2+]CCO2)C1 ZINC000578236294 373991522 /nfs/dbraw/zinc/99/15/22/373991522.db2.gz IHSLJSIFFJUFQD-GHMZBOCLSA-N 2 1 257.334 -1.188 20 0 CAADMP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2C[NH2+]CCO2)C1 ZINC000578236297 373991924 /nfs/dbraw/zinc/99/19/24/373991924.db2.gz IHSLJSIFFJUFQD-WDEREUQCSA-N 2 1 257.334 -1.188 20 0 CAADMP Cc1[nH+]ccn1CCNC(=O)C(=O)N(C)CCOCC[NH3+] ZINC000627345959 374080978 /nfs/dbraw/zinc/08/09/78/374080978.db2.gz AGWZNVCCBBVXOG-UHFFFAOYSA-N 2 1 297.359 -1.259 20 0 CAADMP C[N@@H+](CCNC(=O)C(=O)NC[C@@H]1COCC[NH2+]1)C1CC1 ZINC000627319545 374070768 /nfs/dbraw/zinc/07/07/68/374070768.db2.gz XGOJBGLBNVIXBI-SNVBAGLBSA-N 2 1 284.360 -1.699 20 0 CAADMP CN(CCOCC[NH3+])C(=O)C(=O)NCC[N@@H+](C)C1CC1 ZINC000627318999 374070941 /nfs/dbraw/zinc/07/09/41/374070941.db2.gz HBEWFWRDWFFTHV-UHFFFAOYSA-N 2 1 286.376 -1.370 20 0 CAADMP C[N@@H+](CCNC(=O)C(=O)NCC1([NH3+])CCOCC1)C1CC1 ZINC000627319098 374072595 /nfs/dbraw/zinc/07/25/95/374072595.db2.gz JNLDMWVEXTZJHT-UHFFFAOYSA-N 2 1 298.387 -1.179 20 0 CAADMP [NH3+]CCCOCCNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000627325522 374073544 /nfs/dbraw/zinc/07/35/44/374073544.db2.gz MNVZFEQVKWXWBA-LLVKDONJSA-N 2 1 298.387 -1.179 20 0 CAADMP C[C@@H](NC(=O)C(=O)N[C@@H]1CC[NH2+]C1)[C@@H]1C[N@H+](C)CCO1 ZINC000627355973 374116559 /nfs/dbraw/zinc/11/65/59/374116559.db2.gz VIBTUBHNZYBZEE-MXWKQRLJSA-N 2 1 284.360 -1.700 20 0 CAADMP C[C@@H](NC(=O)C(=O)N[C@@H]1CC[NH2+]C1)[C@@H]1C[N@@H+](C)CCO1 ZINC000627355973 374116571 /nfs/dbraw/zinc/11/65/71/374116571.db2.gz VIBTUBHNZYBZEE-MXWKQRLJSA-N 2 1 284.360 -1.700 20 0 CAADMP COCC[N@@H+](C)CCCNC(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000627384994 374117110 /nfs/dbraw/zinc/11/71/10/374117110.db2.gz WDYPTHNGOOOQAQ-LLVKDONJSA-N 2 1 286.376 -1.451 20 0 CAADMP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)N[C@@H]2CC[NH2+]C2)C1 ZINC000627386264 374118739 /nfs/dbraw/zinc/11/87/39/374118739.db2.gz KNRCFFJMYFJAEO-GHMZBOCLSA-N 2 1 284.360 -1.699 20 0 CAADMP CCN(CC[NH3+])C(=O)C(=O)N[C@H]1CC[N@@H+](CCOC)C1 ZINC000627386119 374119213 /nfs/dbraw/zinc/11/92/13/374119213.db2.gz GNUXWYMUXDGHJG-NSHDSACASA-N 2 1 286.376 -1.370 20 0 CAADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)NC[C@H]2COCC[NH2+]2)C1 ZINC000627429055 374123016 /nfs/dbraw/zinc/12/30/16/374123016.db2.gz WPJLMATUZPPYJX-NEPJUHHUSA-N 2 1 298.387 -1.309 20 0 CAADMP CC[N@H+]1CCCN(C(=O)C(=O)NC[C@@H]2COCC[NH2+]2)CC1 ZINC000627469881 374127733 /nfs/dbraw/zinc/12/77/33/374127733.db2.gz HFCBGYAJZRBMAO-GFCCVEGCSA-N 2 1 298.387 -1.355 20 0 CAADMP CC[N@H+]1CCCN(C(=O)C(=O)NC[C@H]2COCC[NH2+]2)CC1 ZINC000627469882 374129162 /nfs/dbraw/zinc/12/91/62/374129162.db2.gz HFCBGYAJZRBMAO-LBPRGKRZSA-N 2 1 298.387 -1.355 20 0 CAADMP CN(C[C@@H]1CCC[N@H+]1C)C(=O)C(=O)NC[C@H]1COCC[NH2+]1 ZINC000627475869 374130498 /nfs/dbraw/zinc/13/04/98/374130498.db2.gz WEWOCFCIFRHICD-RYUDHWBXSA-N 2 1 298.387 -1.356 20 0 CAADMP CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)NC[C@H]1COCC[NH2+]1 ZINC000627473630 374130576 /nfs/dbraw/zinc/13/05/76/374130576.db2.gz RPMJDRJTVWQKFL-NWDGAFQWSA-N 2 1 298.387 -1.309 20 0 CAADMP C[N@H+]1CCC[C@@H](NC(=O)C(=O)NCCOCCC[NH3+])C1 ZINC000627488835 374132737 /nfs/dbraw/zinc/13/27/37/374132737.db2.gz KAOMYQMWNZWOIA-LLVKDONJSA-N 2 1 286.376 -1.322 20 0 CAADMP NC(=O)[C@H]1CCC[N@@H+](CCCNc2nc(N)[nH+]c(N)n2)C1 ZINC000623929860 374094478 /nfs/dbraw/zinc/09/44/78/374094478.db2.gz XGJZFDAQGXTWDH-QMMMGPOBSA-N 2 1 294.363 -1.882 20 0 CAADMP NC(=O)[C@H]1CCC[N@H+](CCCNc2nc(N)nc(N)[nH+]2)C1 ZINC000623929860 374094483 /nfs/dbraw/zinc/09/44/83/374094483.db2.gz XGJZFDAQGXTWDH-QMMMGPOBSA-N 2 1 294.363 -1.882 20 0 CAADMP NC(=O)[C@H]1CCC[N@@H+](CCCNc2nc(N)nc(N)[nH+]2)C1 ZINC000623929860 374094486 /nfs/dbraw/zinc/09/44/86/374094486.db2.gz XGJZFDAQGXTWDH-QMMMGPOBSA-N 2 1 294.363 -1.882 20 0 CAADMP C[NH+](C)CCn1cc(Nc2nc(N)[nH+]c(N)n2)cn1 ZINC000623909250 374094784 /nfs/dbraw/zinc/09/47/84/374094784.db2.gz MZQLJOVLOIELQT-UHFFFAOYSA-N 2 1 263.309 -1.380 20 0 CAADMP COCC[N@@H+](C)CCCNc1nc(N)[nH+]c(N)n1 ZINC000623855332 374095200 /nfs/dbraw/zinc/09/52/00/374095200.db2.gz WYCUDUDZTJSWEM-UHFFFAOYSA-N 2 1 255.326 -1.501 20 0 CAADMP COCC[N@H+](C)CCCNc1nc(N)nc(N)[nH+]1 ZINC000623855332 374095209 /nfs/dbraw/zinc/09/52/09/374095209.db2.gz WYCUDUDZTJSWEM-UHFFFAOYSA-N 2 1 255.326 -1.501 20 0 CAADMP COCC[N@@H+](C)CCCNc1nc(N)nc(N)[nH+]1 ZINC000623855332 374095217 /nfs/dbraw/zinc/09/52/17/374095217.db2.gz WYCUDUDZTJSWEM-UHFFFAOYSA-N 2 1 255.326 -1.501 20 0 CAADMP C[N@H+]1CCC[C@H](N2CCN(c3nc(N)[nH+]c(N)n3)CC2)C1 ZINC000623974952 374098045 /nfs/dbraw/zinc/09/80/45/374098045.db2.gz VASXLQFGAALJSD-JTQLQIEISA-N 2 1 292.391 -1.087 20 0 CAADMP C[N@H+]1CCC[C@@H](NC(=O)C(=O)N[C@@H]2CC[NH2+]C2)C1 ZINC000627507424 374136619 /nfs/dbraw/zinc/13/66/19/374136619.db2.gz RVKKSTRMMTZUDY-NXEZZACHSA-N 2 1 254.334 -1.325 20 0 CAADMP C[N@H+]1CCC[C@H](NC(=O)C(=O)N[C@@H]2CC[NH2+]C2)C1 ZINC000627507425 374136633 /nfs/dbraw/zinc/13/66/33/374136633.db2.gz RVKKSTRMMTZUDY-ZJUUUORDSA-N 2 1 254.334 -1.325 20 0 CAADMP C[C@H]1CN(S(=O)(=O)C[C@@H]2C[NH2+]CCO2)CC[NH2+]1 ZINC000631904154 374151631 /nfs/dbraw/zinc/15/16/31/374151631.db2.gz GEGKJUYQCPHWES-UWVGGRQHSA-N 2 1 263.363 -1.402 20 0 CAADMP C[C@@H]1CN(S(=O)(=O)C[C@@H]2C[NH2+]CCO2)CC[NH2+]1 ZINC000631904156 374151942 /nfs/dbraw/zinc/15/19/42/374151942.db2.gz GEGKJUYQCPHWES-ZJUUUORDSA-N 2 1 263.363 -1.402 20 0 CAADMP C[NH+](C)CCCS(=O)(=O)NC[C@@H]1COCC[NH2+]1 ZINC000631954451 374158216 /nfs/dbraw/zinc/15/82/16/374158216.db2.gz MDYYXULHRVWZIU-SNVBAGLBSA-N 2 1 265.379 -1.154 20 0 CAADMP CC1(C)CN(S(=O)(=O)C[C@H]2C[NH2+]CCO2)CC[NH2+]1 ZINC000631951404 374158544 /nfs/dbraw/zinc/15/85/44/374158544.db2.gz HAIPFQRWIVMNJC-SNVBAGLBSA-N 2 1 277.390 -1.012 20 0 CAADMP C[NH+]1CCN(C(=O)NCCN2CC[NH2+]CC2)CC1 ZINC000243858787 374161142 /nfs/dbraw/zinc/16/11/42/374161142.db2.gz RHYRMIJRRJTCOL-UHFFFAOYSA-N 2 1 255.366 -1.151 20 0 CAADMP C[NH+](C)CCCS(=O)(=O)NC[C@]1(O)CC[N@@H+](C)C1 ZINC000632213356 374166182 /nfs/dbraw/zinc/16/61/82/374166182.db2.gz HAVQHQMMMITZSQ-LLVKDONJSA-N 2 1 279.406 -1.076 20 0 CAADMP CC[NH+](CC)C[C@@H](F)C(=O)N[C@@H]1C[N@H+](CCO)C[C@H]1O ZINC001193456866 781969118 /nfs/dbraw/zinc/96/91/18/781969118.db2.gz YCDAKDCKCAUOFH-IJLUTSLNSA-N 2 1 291.367 -1.180 20 0 CAADMP C[N@H+]1CCC[C@H]1C(=O)N1CCN([C@@H]2COC[C@H]2O)CC1 ZINC000574735232 335043396 /nfs/dbraw/zinc/04/33/96/335043396.db2.gz UFTUVMLLKHGHTP-YNEHKIRRSA-N 2 1 283.372 -1.016 20 0 CAADMP CN(CC(=O)N1CC[NH+](C)CC1)[C@@]1(CO)CCOC1 ZINC000329654878 252094963 /nfs/dbraw/zinc/09/49/63/252094963.db2.gz LVENIKYXXOYCTG-CYBMUJFWSA-N 2 1 271.361 -1.156 20 0 CAADMP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](CCN2C(=O)CCC2=O)C1 ZINC000063180445 252077342 /nfs/dbraw/zinc/07/73/42/252077342.db2.gz RNNIHCVQRUZFBP-NSHDSACASA-N 2 1 296.371 -1.078 20 0 CAADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2CCOCC2)C1 ZINC000063179800 252078186 /nfs/dbraw/zinc/07/81/86/252078186.db2.gz ZNVVQENFNKSEDL-GFCCVEGCSA-N 2 1 298.387 -1.368 20 0 CAADMP C[C@@H](C(=O)NC(N)=O)[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000063180358 252078212 /nfs/dbraw/zinc/07/82/12/252078212.db2.gz FHEPOWHMIPZKDY-IUCAKERBSA-N 2 1 285.348 -1.643 20 0 CAADMP CNC(=O)NC(=O)C[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000063179844 252079081 /nfs/dbraw/zinc/07/90/81/252079081.db2.gz GAAZWDNXEVSUCF-SECBINFHSA-N 2 1 285.348 -1.771 20 0 CAADMP CO[C@H](C[NH3+])C(=O)N1CC[N@H+](C[C@H](C)O)[C@@H](C)C1 ZINC000353425323 252139091 /nfs/dbraw/zinc/13/90/91/252139091.db2.gz HCCYIKVEMTYEDG-GARJFASQSA-N 2 1 259.350 -1.126 20 0 CAADMP CO[C@H](C[NH3+])C(=O)N1CC[N@@H+](C[C@H](C)O)[C@@H](C)C1 ZINC000353425323 252139092 /nfs/dbraw/zinc/13/90/92/252139092.db2.gz HCCYIKVEMTYEDG-GARJFASQSA-N 2 1 259.350 -1.126 20 0 CAADMP CS(=O)(=O)N[C@@H]1CC[N@@H+](CCOCC[NH3+])C1 ZINC000357089901 252145153 /nfs/dbraw/zinc/14/51/53/252145153.db2.gz ZTIMSYXUSROBBY-SECBINFHSA-N 2 1 251.352 -1.415 20 0 CAADMP NC(=O)[C@H]1CCC[N@H+]1CCCNC(=O)C[C@@H]1COCC[NH2+]1 ZINC000357169123 252147914 /nfs/dbraw/zinc/14/79/14/252147914.db2.gz CHONZRDDFSLSEC-VXGBXAGGSA-N 2 1 298.387 -1.179 20 0 CAADMP C[C@H](CC[NH+]1CCOCC1)NC(=O)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000357926265 252154180 /nfs/dbraw/zinc/15/41/80/252154180.db2.gz QAHUDSQYWIGARZ-WOPDTQHZSA-N 2 1 271.361 -1.064 20 0 CAADMP C[N@H+]1CC[C@@](O)(CNC(=O)[C@H]2C[NH+]3CCN2CCC3)C1 ZINC000358074900 252155142 /nfs/dbraw/zinc/15/51/42/252155142.db2.gz RXRCWRXKHHPHRI-TZMCWYRMSA-N 2 1 282.388 -1.441 20 0 CAADMP C[NH+]1CC[C@@](O)(CNC(=O)[C@H]2C[N@@H+]3CCN2CCC3)C1 ZINC000358074900 252155145 /nfs/dbraw/zinc/15/51/45/252155145.db2.gz RXRCWRXKHHPHRI-TZMCWYRMSA-N 2 1 282.388 -1.441 20 0 CAADMP C[NH+]1CC[C@@](O)(CNC(=O)[C@H]2C[N@H+]3CCN2CCC3)C1 ZINC000358074900 252155147 /nfs/dbraw/zinc/15/51/47/252155147.db2.gz RXRCWRXKHHPHRI-TZMCWYRMSA-N 2 1 282.388 -1.441 20 0 CAADMP C[N@@H+]1CC[C@@](O)(CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC000358060568 252156302 /nfs/dbraw/zinc/15/63/02/252156302.db2.gz FHOFZLBCTYMPLD-ZYHUDNBSSA-N 2 1 257.334 -1.500 20 0 CAADMP C[N@H+]1CC[C@@](O)(CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC000358060568 252156304 /nfs/dbraw/zinc/15/63/04/252156304.db2.gz FHOFZLBCTYMPLD-ZYHUDNBSSA-N 2 1 257.334 -1.500 20 0 CAADMP C[NH+]1CC[C@@](O)(CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC000358060568 252156306 /nfs/dbraw/zinc/15/63/06/252156306.db2.gz FHOFZLBCTYMPLD-ZYHUDNBSSA-N 2 1 257.334 -1.500 20 0 CAADMP C[NH+]1CC[C@@](O)(CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000358060568 252156307 /nfs/dbraw/zinc/15/63/07/252156307.db2.gz FHOFZLBCTYMPLD-ZYHUDNBSSA-N 2 1 257.334 -1.500 20 0 CAADMP CO[C@H](C[NH3+])C(=O)N1CC[N@H+](C[C@@H](C)O)[C@@H](C)C1 ZINC000353425325 252137474 /nfs/dbraw/zinc/13/74/74/252137474.db2.gz HCCYIKVEMTYEDG-HBNTYKKESA-N 2 1 259.350 -1.126 20 0 CAADMP CO[C@H](C[NH3+])C(=O)N1CC[N@@H+](C[C@@H](C)O)[C@@H](C)C1 ZINC000353425325 252137479 /nfs/dbraw/zinc/13/74/79/252137479.db2.gz HCCYIKVEMTYEDG-HBNTYKKESA-N 2 1 259.350 -1.126 20 0 CAADMP C[C@H]([NH3+])C(=O)Nc1cnn(CC(=O)N2CC[NH+](C)CC2)c1 ZINC000353652368 252137686 /nfs/dbraw/zinc/13/76/86/252137686.db2.gz YKRDEPSIMFNXLE-JTQLQIEISA-N 2 1 294.359 -1.057 20 0 CAADMP O=C(NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)[C@H]1C[NH2+]CCO1 ZINC000368836809 252189006 /nfs/dbraw/zinc/18/90/06/252189006.db2.gz ZYIVUGIDTLTXGV-GRYCIOLGSA-N 2 1 269.345 -1.046 20 0 CAADMP C[NH+](C)C[C@@](C)(O)CNC(=O)[C@H]1C[N@H+]2CCN1CCC2 ZINC000378307825 252208252 /nfs/dbraw/zinc/20/82/52/252208252.db2.gz QHENGAVCZYQORR-OCCSQVGLSA-N 2 1 284.404 -1.195 20 0 CAADMP C[NH+](C)C[C@](C)(O)CNC(=O)[C@H]1C[N@H+]2CCN1CCC2 ZINC000378307826 252208279 /nfs/dbraw/zinc/20/82/79/252208279.db2.gz QHENGAVCZYQORR-TZMCWYRMSA-N 2 1 284.404 -1.195 20 0 CAADMP C[NH+](C)C[C@](C)(O)CNC(=O)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000378307823 252208801 /nfs/dbraw/zinc/20/88/01/252208801.db2.gz QHENGAVCZYQORR-GXTWGEPZSA-N 2 1 284.404 -1.195 20 0 CAADMP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)NCC[N@H+]1CCCOCC1 ZINC000515058231 252251888 /nfs/dbraw/zinc/25/18/88/252251888.db2.gz ORQSFTMFGSIDOL-LBPRGKRZSA-N 2 1 298.387 -1.307 20 0 CAADMP COCC[N@H+]1CC[C@@H](NC(=O)COC2C[NH2+]C2)C1 ZINC000430714112 532976274 /nfs/dbraw/zinc/97/62/74/532976274.db2.gz MJXQZAPEQDSIQB-SNVBAGLBSA-N 2 1 257.334 -1.188 20 0 CAADMP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CC[NH2+][C@H](C)C2)C1 ZINC000419734628 532976507 /nfs/dbraw/zinc/97/65/07/532976507.db2.gz VNPRKGQWAXNLPF-VXGBXAGGSA-N 2 1 298.387 -1.356 20 0 CAADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000262545023 285026819 /nfs/dbraw/zinc/02/68/19/285026819.db2.gz RUGFGXBCMJDHLA-WOPDTQHZSA-N 2 1 271.361 -1.064 20 0 CAADMP COCC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1C[C@H](O)C[NH2+]1 ZINC000372913153 285037041 /nfs/dbraw/zinc/03/70/41/285037041.db2.gz RUGFGXBCMJDHLA-SDDRHHMPSA-N 2 1 271.361 -1.064 20 0 CAADMP C[NH+]1CCN(C(=O)CC[NH2+]CCC(=O)NC(N)=O)CC1 ZINC000574803757 335048197 /nfs/dbraw/zinc/04/81/97/335048197.db2.gz MGWCWDBGKZBIPH-UHFFFAOYSA-N 2 1 285.348 -1.675 20 0 CAADMP C[C@H](C(=O)N1CCN(C)C[C@@H]1C[NH3+])N1CC[NH+](C)CC1 ZINC000574811216 335049130 /nfs/dbraw/zinc/04/91/30/335049130.db2.gz CMQUFXIRMKMTQW-OLZOCXBDSA-N 2 1 283.420 -1.276 20 0 CAADMP C[C@H](C(=O)N1CCN(C)C[C@H]1C[NH3+])N1CC[NH+](C)CC1 ZINC000574811210 335049203 /nfs/dbraw/zinc/04/92/03/335049203.db2.gz CMQUFXIRMKMTQW-CHWSQXEVSA-N 2 1 283.420 -1.276 20 0 CAADMP C[NH+](C)[C@@H](C(=O)N[C@@H]1C[N@@H+](CCCO)C[C@H]1O)C1CC1 ZINC001193792089 781976844 /nfs/dbraw/zinc/97/68/44/781976844.db2.gz WWLGAUAXIRGTDC-JHJVBQTASA-N 2 1 285.388 -1.130 20 0 CAADMP C[NH+](C)[C@H](C(=O)N[C@@H]1C[N@H+](CCO)C[C@H]1O)C1CC1 ZINC001193791681 781977499 /nfs/dbraw/zinc/97/74/99/781977499.db2.gz OMXWWTNHYDDEFD-UTUOFQBUSA-N 2 1 271.361 -1.520 20 0 CAADMP C[NH+](C)[C@H](C(=O)N[C@@H]1C[N@@H+](CCO)C[C@H]1O)C1CC1 ZINC001193791681 781977509 /nfs/dbraw/zinc/97/75/09/781977509.db2.gz OMXWWTNHYDDEFD-UTUOFQBUSA-N 2 1 271.361 -1.520 20 0 CAADMP CC[C@H](C(=O)N[C@@H]1C[N@H+](CCO)C[C@H]1O)[NH+](C)C ZINC001194103010 781984215 /nfs/dbraw/zinc/98/42/15/781984215.db2.gz SFJIGMQKMIWGTQ-GMTAPVOTSA-N 2 1 259.350 -1.520 20 0 CAADMP CC[C@H](C(=O)N[C@@H]1C[N@@H+](CCO)C[C@H]1O)[NH+](C)C ZINC001194103010 781984222 /nfs/dbraw/zinc/98/42/22/781984222.db2.gz SFJIGMQKMIWGTQ-GMTAPVOTSA-N 2 1 259.350 -1.520 20 0 CAADMP CS(=O)(=O)NCC[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000430603443 533396839 /nfs/dbraw/zinc/39/68/39/533396839.db2.gz KDEVZQQIKMNMAJ-SNVBAGLBSA-N 2 1 292.405 -1.678 20 0 CAADMP C[C@@H](CC[NH+]1CCOCC1)NC(=O)[C@H]1C[C@H](O)C[NH2+]1 ZINC000432515439 533585873 /nfs/dbraw/zinc/58/58/73/533585873.db2.gz QAHUDSQYWIGARZ-SDDRHHMPSA-N 2 1 271.361 -1.064 20 0 CAADMP C[NH+](C)CCOCCNC(=O)CN1CC[NH+](C)CC1 ZINC000680320787 545612472 /nfs/dbraw/zinc/61/24/72/545612472.db2.gz WMJOAJYMERUNHO-UHFFFAOYSA-N 2 1 272.393 -1.072 20 0 CAADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](C[C@@H]2CNCCO2)C1 ZINC000662242714 409320239 /nfs/dbraw/zinc/32/02/39/409320239.db2.gz GXRLORWDYOHVJO-NEPJUHHUSA-N 2 1 270.377 -1.238 20 0 CAADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](C[C@H]2CNCCO2)C1 ZINC000662242717 409320612 /nfs/dbraw/zinc/32/06/12/409320612.db2.gz GXRLORWDYOHVJO-VXGBXAGGSA-N 2 1 270.377 -1.238 20 0 CAADMP C[C@@H]1C[N@H+](CCN(CC[NH3+])C[C@@H](O)CO)CCO1 ZINC000662288956 409323508 /nfs/dbraw/zinc/32/35/08/409323508.db2.gz WBOGTVQSONJUDO-VXGBXAGGSA-N 2 1 261.366 -1.679 20 0 CAADMP C[C@@H]1C[N@@H+](CCN(CC[NH3+])C[C@@H](O)CO)CCO1 ZINC000662288956 409323513 /nfs/dbraw/zinc/32/35/13/409323513.db2.gz WBOGTVQSONJUDO-VXGBXAGGSA-N 2 1 261.366 -1.679 20 0 CAADMP Cn1c[nH+]cc1CCCN(CC[NH3+])C[C@@H](O)CO ZINC000662286663 409323666 /nfs/dbraw/zinc/32/36/66/409323666.db2.gz VVQBAACCGOSCGK-GFCCVEGCSA-N 2 1 256.350 -1.033 20 0 CAADMP C[NH2+]C[C@@](C)(O)C[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000652335480 409393385 /nfs/dbraw/zinc/39/33/85/409393385.db2.gz LKUWUOMDGLKKJP-WCQYABFASA-N 3 1 272.393 -1.256 20 0 CAADMP C[NH2+]C[C@@](C)(O)CN1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000652335480 409393388 /nfs/dbraw/zinc/39/33/88/409393388.db2.gz LKUWUOMDGLKKJP-WCQYABFASA-N 2 1 272.393 -1.256 20 0 CAADMP C[NH2+]C[C@](C)(O)C[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000652335481 409393916 /nfs/dbraw/zinc/39/39/16/409393916.db2.gz LKUWUOMDGLKKJP-YPMHNXCESA-N 3 1 272.393 -1.256 20 0 CAADMP C[NH2+]C[C@](C)(O)CN1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000652335481 409393922 /nfs/dbraw/zinc/39/39/22/409393922.db2.gz LKUWUOMDGLKKJP-YPMHNXCESA-N 2 1 272.393 -1.256 20 0 CAADMP COCC[N@@H+](C)CCNC(=O)[C@H](N)CC[NH+](C)C ZINC000653114652 409332866 /nfs/dbraw/zinc/33/28/66/409332866.db2.gz QPCVBFLLZSMYDK-LLVKDONJSA-N 2 1 260.382 -1.040 20 0 CAADMP CC[NH+]1CCN(CC(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)CC1 ZINC000655296379 409333135 /nfs/dbraw/zinc/33/31/35/409333135.db2.gz MLOSPQOBCZZZED-UONOGXRCSA-N 2 1 296.415 -1.099 20 0 CAADMP O=C(NC[C@H]1C[N@H+]2CCN1CCC2)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000662908421 409337958 /nfs/dbraw/zinc/33/79/58/409337958.db2.gz UHXFZVLVWYQUMH-WUHRBBMRSA-N 2 1 264.373 -1.042 20 0 CAADMP CN(CC(C)(C)[NH3+])C(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000662965451 409338300 /nfs/dbraw/zinc/33/83/00/409338300.db2.gz KZVJPMSNBMYBEF-WDEREUQCSA-N 2 1 298.387 -1.541 20 0 CAADMP COCC[N@H+]1CCCN(C(=O)[C@H]2C[C@H](O)C[NH2+]2)CC1 ZINC000037826876 409343608 /nfs/dbraw/zinc/34/36/08/409343608.db2.gz UZLACESHIQLBNQ-NWDGAFQWSA-N 2 1 271.361 -1.110 20 0 CAADMP [NH3+]CC(=O)NCC(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000037799610 409343798 /nfs/dbraw/zinc/34/37/98/409343798.db2.gz HERVXCCEVLUUEP-LLVKDONJSA-N 2 1 284.360 -1.616 20 0 CAADMP C[NH+](C)C[C@](C)(O)CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC000153466173 409345001 /nfs/dbraw/zinc/34/50/01/409345001.db2.gz IISQYPRLRPSEIU-ZYHUDNBSSA-N 2 1 259.350 -1.254 20 0 CAADMP C[NH+](C)C[C@](C)(O)CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000153466173 409345005 /nfs/dbraw/zinc/34/50/05/409345005.db2.gz IISQYPRLRPSEIU-ZYHUDNBSSA-N 2 1 259.350 -1.254 20 0 CAADMP CO[C@H](C[NH3+])C(=O)N1CC[N@H+](C[C@@H](C)O)[C@H](C)C1 ZINC000353425324 409459015 /nfs/dbraw/zinc/45/90/15/409459015.db2.gz HCCYIKVEMTYEDG-GMTAPVOTSA-N 2 1 259.350 -1.126 20 0 CAADMP CO[C@H](C[NH3+])C(=O)N1CC[N@@H+](C[C@@H](C)O)[C@H](C)C1 ZINC000353425324 409459022 /nfs/dbraw/zinc/45/90/22/409459022.db2.gz HCCYIKVEMTYEDG-GMTAPVOTSA-N 2 1 259.350 -1.126 20 0 CAADMP Cn1c(C[N@@H+](C)CCN2CC[NH2+]CC2)cc(=O)n(C)c1=O ZINC000071150831 409404154 /nfs/dbraw/zinc/40/41/54/409404154.db2.gz PSMZZVXGTWOKEB-UHFFFAOYSA-N 2 1 295.387 -1.579 20 0 CAADMP C[N@H+](CCNS(C)(=O)=O)CCN1CC[NH2+]CC1 ZINC000647836038 409411869 /nfs/dbraw/zinc/41/18/69/409411869.db2.gz ZWOVGACNFDVNTH-UHFFFAOYSA-N 2 1 264.395 -1.627 20 0 CAADMP C[N@@H+](CCNS(C)(=O)=O)CCN1CC[NH2+]CC1 ZINC000647836038 409411879 /nfs/dbraw/zinc/41/18/79/409411879.db2.gz ZWOVGACNFDVNTH-UHFFFAOYSA-N 2 1 264.395 -1.627 20 0 CAADMP C[N@H+](CCC(=O)N1CC[NH2+]CC1)CCN1CC[NH2+]CC1 ZINC000647835745 409412878 /nfs/dbraw/zinc/41/28/78/409412878.db2.gz MEAHOSPRYGJHDY-UHFFFAOYSA-N 3 1 283.420 -1.355 20 0 CAADMP C[N@@H+](CCC(=O)N1CCNCC1)CCN1CC[NH2+]CC1 ZINC000647835745 409412883 /nfs/dbraw/zinc/41/28/83/409412883.db2.gz MEAHOSPRYGJHDY-UHFFFAOYSA-N 2 1 283.420 -1.355 20 0 CAADMP C[N@H+](CCC(=O)N1CCNCC1)CCN1CC[NH2+]CC1 ZINC000647835745 409412887 /nfs/dbraw/zinc/41/28/87/409412887.db2.gz MEAHOSPRYGJHDY-UHFFFAOYSA-N 2 1 283.420 -1.355 20 0 CAADMP CS(=O)(=O)N[C@@H]1CCC[N@H+](CCOCC[NH3+])C1 ZINC000647877181 409415375 /nfs/dbraw/zinc/41/53/75/409415375.db2.gz KFVHGIHTFCYTTG-SNVBAGLBSA-N 2 1 265.379 -1.025 20 0 CAADMP CS(=O)(=O)N[C@@H]1CCC[N@@H+](CCOCC[NH3+])C1 ZINC000647877181 409415376 /nfs/dbraw/zinc/41/53/76/409415376.db2.gz KFVHGIHTFCYTTG-SNVBAGLBSA-N 2 1 265.379 -1.025 20 0 CAADMP CCN1C(=O)[C@@H]2C[N@@H+](CCN3CC[NH2+]CC3)CCN2C1=O ZINC000647891618 409415648 /nfs/dbraw/zinc/41/56/48/409415648.db2.gz XYQQWVLLBQMBBJ-LBPRGKRZSA-N 2 1 295.387 -1.140 20 0 CAADMP CCN1C(=O)[C@H]2C[N@@H+](CCN3CC[NH2+]CC3)CCN2C1=O ZINC000647891617 409415823 /nfs/dbraw/zinc/41/58/23/409415823.db2.gz XYQQWVLLBQMBBJ-GFCCVEGCSA-N 2 1 295.387 -1.140 20 0 CAADMP NC(=O)[C@H]1CCC[N@H+]1CCCNC(=O)CCOC1C[NH2+]C1 ZINC000349006193 409443282 /nfs/dbraw/zinc/44/32/82/409443282.db2.gz TYAYACJWDQVGSE-GFCCVEGCSA-N 2 1 298.387 -1.179 20 0 CAADMP CC(C)[C@H]1CN(C(=O)C(=O)NCC[NH3+])CC[N@H+]1C ZINC000419841918 409476198 /nfs/dbraw/zinc/47/61/98/409476198.db2.gz VBMQWYDZOFERQR-SNVBAGLBSA-N 2 1 256.350 -1.140 20 0 CAADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CCO[C@H](C[NH3+])C2)C1 ZINC000659738129 409475074 /nfs/dbraw/zinc/47/50/74/409475074.db2.gz AGGABRZXPDWZNY-VXGBXAGGSA-N 2 1 298.387 -1.227 20 0 CAADMP C[NH2+]C[C@@H](C)NC(=O)C(=O)NCC[N@@H+](C)C1CC1 ZINC000659685111 409561036 /nfs/dbraw/zinc/56/10/36/409561036.db2.gz NXWJHFOXYXMTJS-SECBINFHSA-N 2 1 256.350 -1.079 20 0 CAADMP C[NH2+]C[C@H](C)NC(=O)C(=O)NCC[N@@H+](C)CCOC ZINC000659695670 409563498 /nfs/dbraw/zinc/56/34/98/409563498.db2.gz BOEHDHJTZGFEQQ-JTQLQIEISA-N 2 1 274.365 -1.595 20 0 CAADMP C[NH2+]C[C@H](C)NC(=O)C(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCO1 ZINC000659697706 409565139 /nfs/dbraw/zinc/56/51/39/409565139.db2.gz UGTLATITXNOEDV-GARJFASQSA-N 2 1 286.376 -1.454 20 0 CAADMP C[NH2+]C[C@H](C)NC(=O)C(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC000659697706 409565147 /nfs/dbraw/zinc/56/51/47/409565147.db2.gz UGTLATITXNOEDV-GARJFASQSA-N 2 1 286.376 -1.454 20 0 CAADMP C[NH2+]C[C@@H](C)NC(=O)C(=O)NCC[N@@H+](C)CCOC ZINC000659695671 409565224 /nfs/dbraw/zinc/56/52/24/409565224.db2.gz BOEHDHJTZGFEQQ-SNVBAGLBSA-N 2 1 274.365 -1.595 20 0 CAADMP C[NH2+]C[C@H](C)NC(=O)C(=O)N[C@@H]1CC[N@@H+](CCOC)C1 ZINC000659706388 409566283 /nfs/dbraw/zinc/56/62/83/409566283.db2.gz KEZKMBCVQFXGLT-WDEREUQCSA-N 2 1 286.376 -1.453 20 0 CAADMP C[C@@H](NC(=O)C(=O)N(C)CCC[NH3+])[C@H]1C[N@H+](C)CCO1 ZINC000659698443 409566446 /nfs/dbraw/zinc/56/64/46/409566446.db2.gz ZWMAJQAVFNYFBD-GHMZBOCLSA-N 2 1 286.376 -1.371 20 0 CAADMP C[C@@H](NC(=O)C(=O)N(C)CCC[NH3+])[C@H]1C[N@@H+](C)CCO1 ZINC000659698443 409566450 /nfs/dbraw/zinc/56/64/50/409566450.db2.gz ZWMAJQAVFNYFBD-GHMZBOCLSA-N 2 1 286.376 -1.371 20 0 CAADMP C[NH+]1CCN(C(=O)CCNC(=O)COC2(C)C[NH2+]C2)CC1 ZINC000649292564 409507404 /nfs/dbraw/zinc/50/74/04/409507404.db2.gz PKXDCNAAMVSRNX-UHFFFAOYSA-N 2 1 298.387 -1.355 20 0 CAADMP C[N@H+]1CCC[C@H](NC(=O)C(=O)N[C@H]2CC[NH2+]C2)C1 ZINC000659731210 409568128 /nfs/dbraw/zinc/56/81/28/409568128.db2.gz RVKKSTRMMTZUDY-UWVGGRQHSA-N 2 1 254.334 -1.325 20 0 CAADMP CO[C@H]1C[C@@H](C(=O)N2C[C@H](O)[C@@H]([NH+](C)C)C2)[N@@H+](C)C1 ZINC000655096062 409516528 /nfs/dbraw/zinc/51/65/28/409516528.db2.gz HPEJACBFVOJVES-BJDJZHNGSA-N 2 1 271.361 -1.161 20 0 CAADMP O=C(CCN1CC[N@H+]2C[C@H](O)C[C@H]2C1)N1CC[NH2+]CC1 ZINC000655947003 409520430 /nfs/dbraw/zinc/52/04/30/409520430.db2.gz PFUVGXNVXZVTJY-QWHCGFSZSA-N 2 1 282.388 -1.441 20 0 CAADMP O=C(NC[C@H]1C[NH2+]CCCO1)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000655970900 409522728 /nfs/dbraw/zinc/52/27/28/409522728.db2.gz ZVXDOYLTNAERTL-YNEHKIRRSA-N 2 1 298.387 -1.175 20 0 CAADMP [NH3+][C@@H]1CCN(C(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)C1 ZINC000656102374 409529290 /nfs/dbraw/zinc/52/92/90/409529290.db2.gz JESSXOGILUZVAB-OUAUKWLOSA-N 2 1 282.344 -2.177 20 0 CAADMP C[C@H](C[NH3+])N(C)C(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000656104191 409529820 /nfs/dbraw/zinc/52/98/20/409529820.db2.gz JVYQWEPBEWVPTI-OUAUKWLOSA-N 2 1 284.360 -1.931 20 0 CAADMP C[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000656102016 409530998 /nfs/dbraw/zinc/53/09/98/409530998.db2.gz ATBMQRLZTSPLSB-SDDRHHMPSA-N 2 1 296.371 -1.916 20 0 CAADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)NC[C@@H]2C[NH2+]CCO2)C1 ZINC000659730070 409569587 /nfs/dbraw/zinc/56/95/87/409569587.db2.gz UWGKXZZNUNMQEG-RYUDHWBXSA-N 2 1 298.387 -1.309 20 0 CAADMP CC[N@@H+]1CCO[C@H](C(=O)N2CCOC3(C[NH2+]C3)C2)C1 ZINC000663217541 409620855 /nfs/dbraw/zinc/62/08/55/409620855.db2.gz MMOSYMQZSLRILR-NSHDSACASA-N 2 1 269.345 -1.092 20 0 CAADMP CC[N@H+]1CCO[C@H](C(=O)N2CCOC3(C[NH2+]C3)C2)C1 ZINC000663217541 409620863 /nfs/dbraw/zinc/62/08/63/409620863.db2.gz MMOSYMQZSLRILR-NSHDSACASA-N 2 1 269.345 -1.092 20 0 CAADMP C[NH+](C)CCN1CC[N@H+](C[C@@H]2CNC(=O)C2)CC1=O ZINC000660913997 409582957 /nfs/dbraw/zinc/58/29/57/409582957.db2.gz RTOGFIJINLIQAR-NSHDSACASA-N 2 1 268.361 -1.172 20 0 CAADMP C[NH+](C)CCN1CC[N@@H+](C[C@@H]2CNC(=O)C2)CC1=O ZINC000660913997 409582963 /nfs/dbraw/zinc/58/29/63/409582963.db2.gz RTOGFIJINLIQAR-NSHDSACASA-N 2 1 268.361 -1.172 20 0 CAADMP CNC(=O)[C@H]1C[N@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)CCO1 ZINC000662281637 409584828 /nfs/dbraw/zinc/58/48/28/409584828.db2.gz YXLWCJNDURODDL-WDEREUQCSA-N 2 1 269.345 -1.046 20 0 CAADMP CNC(=O)[C@H]1C[N@@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)CCO1 ZINC000662281637 409584835 /nfs/dbraw/zinc/58/48/35/409584835.db2.gz YXLWCJNDURODDL-WDEREUQCSA-N 2 1 269.345 -1.046 20 0 CAADMP C[N@@H+](CC(=O)N1CC[NH2+]CC1)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662243507 409585974 /nfs/dbraw/zinc/58/59/74/409585974.db2.gz MDWMSXCUKGYZII-GFCCVEGCSA-N 3 1 282.388 -1.129 20 0 CAADMP C[N@H+](CC(=O)N1CC[NH2+]CC1)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662243507 409585982 /nfs/dbraw/zinc/58/59/82/409585982.db2.gz MDWMSXCUKGYZII-GFCCVEGCSA-N 3 1 282.388 -1.129 20 0 CAADMP [NH3+]CCN(CC[N@H+]1C[C@H]2CC[C@@H](C1)O2)C[C@H](O)CO ZINC000662289216 409590830 /nfs/dbraw/zinc/59/08/30/409590830.db2.gz YCYCEAOKXFYTFN-RWMBFGLXSA-N 2 1 273.377 -1.537 20 0 CAADMP [NH3+]CCN(CC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)C[C@H](O)CO ZINC000662289216 409590835 /nfs/dbraw/zinc/59/08/35/409590835.db2.gz YCYCEAOKXFYTFN-RWMBFGLXSA-N 2 1 273.377 -1.537 20 0 CAADMP CN1CC[N@@H+](CCC(=O)N2CC[NH2+]CC2)CCC1=O ZINC000662314440 409590975 /nfs/dbraw/zinc/59/09/75/409590975.db2.gz PEHDRPILBHZTBR-UHFFFAOYSA-N 2 1 268.361 -1.028 20 0 CAADMP C[C@@H]1C[N@H+](CCCNC(=O)C2(O)C[NH2+]C2)C[C@H](C)O1 ZINC000662671139 409602823 /nfs/dbraw/zinc/60/28/23/409602823.db2.gz MISITBZOWBOKPB-PHIMTYICSA-N 2 1 271.361 -1.064 20 0 CAADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C2(O)C[NH2+]C2)C1 ZINC000662668299 409603389 /nfs/dbraw/zinc/60/33/89/409603389.db2.gz KEIPQWHZAKLGSE-NSHDSACASA-N 2 1 271.361 -1.206 20 0 CAADMP COC[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001195860400 782018273 /nfs/dbraw/zinc/01/82/73/782018273.db2.gz XHCNIVRCJUQFFI-QJPTWQEYSA-N 2 1 289.376 -1.893 20 0 CAADMP C[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001195860338 782018767 /nfs/dbraw/zinc/01/87/67/782018767.db2.gz VWNMJLUHVFPREX-HBNTYKKESA-N 2 1 259.350 -1.520 20 0 CAADMP COCC[NH2+]CC(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000186682810 292558594 /nfs/dbraw/zinc/55/85/94/292558594.db2.gz OCMREDDBMVEYBP-GFCCVEGCSA-N 2 1 298.387 -1.355 20 0 CAADMP COCCC[N@@H+](C)CCNC(=O)CNC(=O)C[NH3+] ZINC000347628947 226205907 /nfs/dbraw/zinc/20/59/07/226205907.db2.gz ZKXGUPLYTPPWOG-UHFFFAOYSA-N 2 1 260.338 -1.854 20 0 CAADMP C[C@@H](O)C[N@H+]1CCN(C(=O)CNC(=O)C[NH3+])C[C@@H]1C ZINC000347671985 226218125 /nfs/dbraw/zinc/21/81/25/226218125.db2.gz BEMALLDSBLYXTJ-VHSXEESVSA-N 2 1 272.349 -2.025 20 0 CAADMP CN(C(=O)CNC(=O)C[NH3+])[C@H]1CC[N@H+](C2CC2)C1 ZINC000347660910 226229635 /nfs/dbraw/zinc/22/96/35/226229635.db2.gz UIKRKGGNCWDBBB-JTQLQIEISA-N 2 1 254.334 -1.244 20 0 CAADMP COCC[N@H+]1CCC[C@H]1CNC(=O)CNC(=O)C[NH3+] ZINC000347694086 226236602 /nfs/dbraw/zinc/23/66/02/226236602.db2.gz QQRKXEVBPCUHJO-JTQLQIEISA-N 2 1 272.349 -1.712 20 0 CAADMP C[C@@H](O)C[N@@H+]1CCN(C(=O)[C@@H]2C[NH2+]CCO2)C[C@H]1C ZINC000167991980 533682468 /nfs/dbraw/zinc/68/24/68/533682468.db2.gz LGMNDKZYDVBLJE-UTUOFQBUSA-N 2 1 271.361 -1.112 20 0 CAADMP C[C@@H](O)C[N@H+]1CCN(C(=O)[C@@H]2C[NH2+]CCO2)C[C@H]1C ZINC000167991980 533682478 /nfs/dbraw/zinc/68/24/78/533682478.db2.gz LGMNDKZYDVBLJE-UTUOFQBUSA-N 2 1 271.361 -1.112 20 0 CAADMP CO[C@H](C[NH3+])C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000353429955 228100729 /nfs/dbraw/zinc/10/07/29/228100729.db2.gz VHJDLFLTNXPXTP-SNVBAGLBSA-N 2 1 272.349 -1.760 20 0 CAADMP C[C@H](O)C[NH+]1CCN(C(=O)[C@@H]2C[N@@H+]3CCN2CCC3)CC1 ZINC000330315502 228138073 /nfs/dbraw/zinc/13/80/73/228138073.db2.gz PRJUXVPGYMOHAN-KBPBESRZSA-N 2 1 296.415 -1.099 20 0 CAADMP C[C@H](O)C[NH+]1CCN(C(=O)[C@@H]2C[N@H+]3CCN2CCC3)CC1 ZINC000330315502 228138075 /nfs/dbraw/zinc/13/80/75/228138075.db2.gz PRJUXVPGYMOHAN-KBPBESRZSA-N 2 1 296.415 -1.099 20 0 CAADMP CN(C(=O)C(=O)N1CC[N@H+]2CCC[C@H]2C1)[C@H]1C[NH2+]C[C@@H]1O ZINC000332084747 228147134 /nfs/dbraw/zinc/14/71/34/228147134.db2.gz DXYWJRODUADHMH-SRVKXCTJSA-N 2 1 296.371 -1.916 20 0 CAADMP C[C@@H](O)C[N@@H+]1CCN(C(=O)[C@H]2C[NH2+]CCO2)C[C@H]1C ZINC000188187291 230203645 /nfs/dbraw/zinc/20/36/45/230203645.db2.gz LGMNDKZYDVBLJE-IJLUTSLNSA-N 2 1 271.361 -1.112 20 0 CAADMP C[C@@H](O)C[N@H+]1CCN(C(=O)[C@H]2C[NH2+]CCO2)C[C@H]1C ZINC000188187291 230203648 /nfs/dbraw/zinc/20/36/48/230203648.db2.gz LGMNDKZYDVBLJE-IJLUTSLNSA-N 2 1 271.361 -1.112 20 0 CAADMP C[C@H]1OCC[NH2+][C@@H]1C(=O)NCCN1CC[NH+](C)CC1 ZINC000262133205 230223478 /nfs/dbraw/zinc/22/34/78/230223478.db2.gz GQUYGJYLEXHHGX-NEPJUHHUSA-N 2 1 270.377 -1.273 20 0 CAADMP O=C(CC[N@@H+]1CCO[C@@H](CO)C1)N1CC[NH2+]CC1 ZINC000262138876 230224467 /nfs/dbraw/zinc/22/44/67/230224467.db2.gz OMUHNYGRHNUGAN-LLVKDONJSA-N 2 1 257.334 -1.499 20 0 CAADMP O=C(CC[N@H+]1CCO[C@@H](CO)C1)N1CC[NH2+]CC1 ZINC000262138876 230224471 /nfs/dbraw/zinc/22/44/71/230224471.db2.gz OMUHNYGRHNUGAN-LLVKDONJSA-N 2 1 257.334 -1.499 20 0 CAADMP COC[C@H](N)C(=O)NCCC(=O)N1CCN(C)CC1 ZINC000262364666 230229588 /nfs/dbraw/zinc/22/95/88/230229588.db2.gz KWRHCDQVJMVHAP-JTQLQIEISA-N 2 1 272.349 -1.760 20 0 CAADMP COC[C@H]([NH3+])C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000262364666 230229594 /nfs/dbraw/zinc/22/95/94/230229594.db2.gz KWRHCDQVJMVHAP-JTQLQIEISA-N 2 1 272.349 -1.760 20 0 CAADMP COCC[N@@H+](C)CCNC(=O)C(=O)NC[C@H]([NH3+])C(C)C ZINC000419356827 230253461 /nfs/dbraw/zinc/25/34/61/230253461.db2.gz NQPZNDAAUNCBOF-NSHDSACASA-N 2 1 288.392 -1.220 20 0 CAADMP NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)[C@@H]1COCC[NH2+]1 ZINC000430890529 230312311 /nfs/dbraw/zinc/31/23/11/230312311.db2.gz SWQQJVHEYDRLDS-QWRGUYRKSA-N 2 1 284.360 -1.569 20 0 CAADMP NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)[C@@H]1COCC[NH2+]1 ZINC000430890529 230312317 /nfs/dbraw/zinc/31/23/17/230312317.db2.gz SWQQJVHEYDRLDS-QWRGUYRKSA-N 2 1 284.360 -1.569 20 0 CAADMP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)[C@@H]2COCC[NH2+]2)C1 ZINC000430888944 230312413 /nfs/dbraw/zinc/31/24/13/230312413.db2.gz ZXTBJLSKKCDLNK-NEPJUHHUSA-N 2 1 298.387 -1.322 20 0 CAADMP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)[C@@H]2COCC[NH2+]2)C1 ZINC000430888944 230312416 /nfs/dbraw/zinc/31/24/16/230312416.db2.gz ZXTBJLSKKCDLNK-NEPJUHHUSA-N 2 1 298.387 -1.322 20 0 CAADMP C[C@@H](O)C[N@@H+]1CCN(C(=O)[C@H]2C[C@H](O)C[NH2+]2)C[C@H]1C ZINC000432517795 230314188 /nfs/dbraw/zinc/31/41/88/230314188.db2.gz HNYXOPDKBZOINV-WISYIIOYSA-N 2 1 271.361 -1.377 20 0 CAADMP C[C@@H](O)C[N@H+]1CCN(C(=O)[C@H]2C[C@H](O)C[NH2+]2)C[C@H]1C ZINC000432517795 230314195 /nfs/dbraw/zinc/31/41/95/230314195.db2.gz HNYXOPDKBZOINV-WISYIIOYSA-N 2 1 271.361 -1.377 20 0 CAADMP NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)[C@H]1CC[NH2+]1 ZINC000444175200 230335575 /nfs/dbraw/zinc/33/55/75/230335575.db2.gz JIXCWZMATURWJE-ZJUUUORDSA-N 2 1 254.334 -1.196 20 0 CAADMP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)NC1C[NH2+]C1 ZINC000518347619 260380502 /nfs/dbraw/zinc/38/05/02/260380502.db2.gz JDCDMDLPTCGMKU-JTQLQIEISA-N 2 1 298.387 -1.622 20 0 CAADMP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)NC1C[NH2+]C1 ZINC000518347619 260380504 /nfs/dbraw/zinc/38/05/04/260380504.db2.gz JDCDMDLPTCGMKU-JTQLQIEISA-N 2 1 298.387 -1.622 20 0 CAADMP CN(C(=O)C(=O)N1C[C@@H]2CC[N@@H+](C)[C@@H]2C1)[C@H]1C[NH2+]C[C@@H]1O ZINC000518360059 260382821 /nfs/dbraw/zinc/38/28/21/260382821.db2.gz GYGGHBMCQZSDMH-YFKTTZPYSA-N 2 1 296.371 -2.060 20 0 CAADMP CC[N@H+](CCO)CCNC(=O)[C@H]1C[NH+](C)CCO1 ZINC000183931520 269086263 /nfs/dbraw/zinc/08/62/63/269086263.db2.gz SYLIMNVERSTASX-LLVKDONJSA-N 2 1 259.350 -1.253 20 0 CAADMP CC[N@@H+](CCO)CCNC(=O)[C@H]1C[NH+](C)CCO1 ZINC000183931520 269086266 /nfs/dbraw/zinc/08/62/66/269086266.db2.gz SYLIMNVERSTASX-LLVKDONJSA-N 2 1 259.350 -1.253 20 0 CAADMP CC[NH+](CCO)CCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC000183931520 269086268 /nfs/dbraw/zinc/08/62/68/269086268.db2.gz SYLIMNVERSTASX-LLVKDONJSA-N 2 1 259.350 -1.253 20 0 CAADMP CC[NH+](CCO)CCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000183931520 269086270 /nfs/dbraw/zinc/08/62/70/269086270.db2.gz SYLIMNVERSTASX-LLVKDONJSA-N 2 1 259.350 -1.253 20 0 CAADMP C[N@H+]1CC[C@@H](C(=O)NCC(=O)NCCN2CCOCC2)C1 ZINC000522137990 269090113 /nfs/dbraw/zinc/09/01/13/269090113.db2.gz WFJVJMDZVBOIFQ-GFCCVEGCSA-N 2 1 298.387 -1.497 20 0 CAADMP COCC[N@H+]1CC[C@H](NC(=O)NC[C@@H]2COCC[NH2+]2)C1 ZINC000529310632 269092336 /nfs/dbraw/zinc/09/23/36/269092336.db2.gz RBLLUBYECSBQTR-NWDGAFQWSA-N 2 1 286.376 -1.005 20 0 CAADMP C[C@H](O)C[NH+]1CCN(C(=O)NC[C@H]2COCC[NH2+]2)CC1 ZINC000529383053 269093172 /nfs/dbraw/zinc/09/31/72/269093172.db2.gz FANGMYOCCMRNTJ-RYUDHWBXSA-N 2 1 286.376 -1.317 20 0 CAADMP C[C@H]1C[N@H+](CCO)CCN1C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000529387823 269093652 /nfs/dbraw/zinc/09/36/52/269093652.db2.gz MOBIDVQHSKGDIR-NWDGAFQWSA-N 2 1 286.376 -1.317 20 0 CAADMP C[C@H]1C[N@@H+](CCO)CCN1C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000529387823 269093653 /nfs/dbraw/zinc/09/36/53/269093653.db2.gz MOBIDVQHSKGDIR-NWDGAFQWSA-N 2 1 286.376 -1.317 20 0 CAADMP C[C@H]1C[N@H+](CCO)CCN1C(=O)NC[C@H]1COCC[NH2+]1 ZINC000529387825 269093789 /nfs/dbraw/zinc/09/37/89/269093789.db2.gz MOBIDVQHSKGDIR-RYUDHWBXSA-N 2 1 286.376 -1.317 20 0 CAADMP C[C@H]1C[N@@H+](CCO)CCN1C(=O)NC[C@H]1COCC[NH2+]1 ZINC000529387825 269093791 /nfs/dbraw/zinc/09/37/91/269093791.db2.gz MOBIDVQHSKGDIR-RYUDHWBXSA-N 2 1 286.376 -1.317 20 0 CAADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](CCCO)C[C@H]1O ZINC001197049720 782046626 /nfs/dbraw/zinc/04/66/26/782046626.db2.gz RFCFCGVCOPDLER-VXGBXAGGSA-N 2 1 273.377 -1.128 20 0 CAADMP CC[N@@H+](C)CCNC(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000351538006 276304902 /nfs/dbraw/zinc/30/49/02/276304902.db2.gz QHFUBMZMOFIITE-SNVBAGLBSA-N 2 1 256.350 -1.078 20 0 CAADMP CC[N@@H+]1CCO[C@@H](C(=O)N2CCN(C)C[C@H]2C[NH3+])C1 ZINC000515646042 276390112 /nfs/dbraw/zinc/39/01/12/276390112.db2.gz QFFAMILNAGJXPN-VXGBXAGGSA-N 2 1 270.377 -1.192 20 0 CAADMP CC[N@H+]1CCO[C@@H](C(=O)N2CCN(C)C[C@H]2C[NH3+])C1 ZINC000515646042 276390113 /nfs/dbraw/zinc/39/01/13/276390113.db2.gz QFFAMILNAGJXPN-VXGBXAGGSA-N 2 1 270.377 -1.192 20 0 CAADMP C[C@H](C(=O)NC(N)=O)[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000221175425 278148733 /nfs/dbraw/zinc/14/87/33/278148733.db2.gz FHEPOWHMIPZKDY-RKDXNWHRSA-N 2 1 285.348 -1.643 20 0 CAADMP C[C@H]1CC[N@@H+](C)CCN1C(=O)C(=O)N1CC[NH2+]CC1 ZINC000423250103 278364754 /nfs/dbraw/zinc/36/47/54/278364754.db2.gz UPRKSRXXPNZLAH-NSHDSACASA-N 2 1 268.361 -1.029 20 0 CAADMP C[C@H](O)C[N@@H+]1CCN(C(=O)[C@@H]2C[C@H](O)C[NH2+]2)C[C@@H]1C ZINC000357926404 290105963 /nfs/dbraw/zinc/10/59/63/290105963.db2.gz HNYXOPDKBZOINV-BJDJZHNGSA-N 2 1 271.361 -1.377 20 0 CAADMP C[C@H](O)C[N@H+]1CCN(C(=O)[C@@H]2C[C@H](O)C[NH2+]2)C[C@@H]1C ZINC000357926404 290105967 /nfs/dbraw/zinc/10/59/67/290105967.db2.gz HNYXOPDKBZOINV-BJDJZHNGSA-N 2 1 271.361 -1.377 20 0 CAADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](CCO)C[C@H]1O ZINC001198046825 782061388 /nfs/dbraw/zinc/06/13/88/782061388.db2.gz GDAFAXAFWBMSJX-GHMZBOCLSA-N 2 1 259.350 -1.518 20 0 CAADMP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CCO)C[C@H]1O ZINC001198046825 782061380 /nfs/dbraw/zinc/06/13/80/782061380.db2.gz GDAFAXAFWBMSJX-GHMZBOCLSA-N 2 1 259.350 -1.518 20 0 CAADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CCO)C[C@H]1O ZINC001198046825 782061396 /nfs/dbraw/zinc/06/13/96/782061396.db2.gz GDAFAXAFWBMSJX-GHMZBOCLSA-N 2 1 259.350 -1.518 20 0 CAADMP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@H](C)O)C[C@H]1O ZINC001198028656 782061904 /nfs/dbraw/zinc/06/19/04/782061904.db2.gz FFDAFXPPBVKMRR-QJPTWQEYSA-N 2 1 273.377 -1.130 20 0 CAADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](C[C@H](C)O)C[C@H]1O ZINC001198028656 782061917 /nfs/dbraw/zinc/06/19/17/782061917.db2.gz FFDAFXPPBVKMRR-QJPTWQEYSA-N 2 1 273.377 -1.130 20 0 CAADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](C[C@H](C)O)C[C@H]1O ZINC001198028656 782061927 /nfs/dbraw/zinc/06/19/27/782061927.db2.gz FFDAFXPPBVKMRR-QJPTWQEYSA-N 2 1 273.377 -1.130 20 0 CAADMP NC(=O)[C@H]1CCC[NH+]1CCOCC[N@H+]1CCC[C@@H]1C(N)=O ZINC000178638482 295153822 /nfs/dbraw/zinc/15/38/22/295153822.db2.gz HRPBSPIULOZDLT-VXGBXAGGSA-N 2 1 298.387 -1.098 20 0 CAADMP NC(=O)[C@H]1CCC[NH+]1CCOCC[N@@H+]1CCC[C@@H]1C(N)=O ZINC000178638482 295153823 /nfs/dbraw/zinc/15/38/23/295153823.db2.gz HRPBSPIULOZDLT-VXGBXAGGSA-N 2 1 298.387 -1.098 20 0 CAADMP [NH3+]CCOCC[N@H+]1CCC[C@H](N2CCNCC2=O)C1 ZINC000516468608 295234920 /nfs/dbraw/zinc/23/49/20/295234920.db2.gz ZZTPSJMJIFXWMJ-LBPRGKRZSA-N 2 1 270.377 -1.142 20 0 CAADMP [NH3+][C@@H]1C[C@@H]1C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000424162638 295324574 /nfs/dbraw/zinc/32/45/74/295324574.db2.gz ZYYWTHXMZKUAOP-GARJFASQSA-N 2 1 266.345 -1.244 20 0 CAADMP CC(C)[N@@H+](C)CC(=O)NCC[NH2+]CCN1C(=O)CNC1=O ZINC001152433220 782063737 /nfs/dbraw/zinc/06/37/37/782063737.db2.gz YEHXBHRCZOIAHJ-UHFFFAOYSA-N 2 1 299.375 -1.416 20 0 CAADMP [NH3+]CC(=O)NCC(=O)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000376581243 303367490 /nfs/dbraw/zinc/36/74/90/303367490.db2.gz NNKYHYRCEBQSPY-VXGBXAGGSA-N 2 1 298.387 -1.179 20 0 CAADMP CC(C)[N@@H+](C)CC(=O)NCC[NH2+][C@H]1CCNC1=O ZINC001152439287 782067023 /nfs/dbraw/zinc/06/70/23/782067023.db2.gz HHVZLOQEDZLBEE-JTQLQIEISA-N 2 1 256.350 -1.079 20 0 CAADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CCO)C[C@H]1O ZINC001199097412 782075490 /nfs/dbraw/zinc/07/54/90/782075490.db2.gz ZDEOBQGZQXQARZ-GHMZBOCLSA-N 2 1 259.350 -1.520 20 0 CAADMP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@H+](CCO)C[C@H]1O ZINC001199097412 782075496 /nfs/dbraw/zinc/07/54/96/782075496.db2.gz ZDEOBQGZQXQARZ-GHMZBOCLSA-N 2 1 259.350 -1.520 20 0 CAADMP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CCO)C[C@H]1O ZINC001199097412 782075503 /nfs/dbraw/zinc/07/55/03/782075503.db2.gz ZDEOBQGZQXQARZ-GHMZBOCLSA-N 2 1 259.350 -1.520 20 0 CAADMP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@@H+](C[C@H](C)O)C[C@H]1O ZINC001199111786 782074680 /nfs/dbraw/zinc/07/46/80/782074680.db2.gz MACLMMFWXSUYTQ-QJPTWQEYSA-N 2 1 273.377 -1.131 20 0 CAADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@H](C)O)C[C@H]1O ZINC001199111786 782074686 /nfs/dbraw/zinc/07/46/86/782074686.db2.gz MACLMMFWXSUYTQ-QJPTWQEYSA-N 2 1 273.377 -1.131 20 0 CAADMP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@H](C)O)C[C@H]1O ZINC001199111786 782074692 /nfs/dbraw/zinc/07/46/92/782074692.db2.gz MACLMMFWXSUYTQ-QJPTWQEYSA-N 2 1 273.377 -1.131 20 0 CAADMP O[C@H](C[NH2+]C[C@@H](O)C[NH+]1CCCC1)CN1CCOCC1 ZINC000583694102 329004536 /nfs/dbraw/zinc/00/45/36/329004536.db2.gz WOIUQVUOBPMESD-ZIAGYGMSSA-N 2 1 287.404 -1.274 20 0 CAADMP [NH3+][C@@H]1C[C@H]2C[N@H+](CCCN3CCOCC3)CCN2C1=O ZINC000563442036 328066460 /nfs/dbraw/zinc/06/64/60/328066460.db2.gz NJLHUNIFHHQOCV-QWHCGFSZSA-N 2 1 282.388 -1.048 20 0 CAADMP [NH3+][C@@H]1C[C@H]2C[N@@H+](CCCN3CCOCC3)CCN2C1=O ZINC000563442036 328066461 /nfs/dbraw/zinc/06/64/61/328066461.db2.gz NJLHUNIFHHQOCV-QWHCGFSZSA-N 2 1 282.388 -1.048 20 0 CAADMP [NH3+][C@H]1C[C@H]2C[N@H+](CCCN3CCOCC3)CCN2C1=O ZINC000563442037 328066549 /nfs/dbraw/zinc/06/65/49/328066549.db2.gz NJLHUNIFHHQOCV-STQMWFEESA-N 2 1 282.388 -1.048 20 0 CAADMP [NH3+][C@H]1C[C@H]2C[N@@H+](CCCN3CCOCC3)CCN2C1=O ZINC000563442037 328066550 /nfs/dbraw/zinc/06/65/50/328066550.db2.gz NJLHUNIFHHQOCV-STQMWFEESA-N 2 1 282.388 -1.048 20 0 CAADMP [NH3+][C@H]1C[C@@H]2C[N@H+](CCCN3CCOCC3)CCN2C1=O ZINC000563442035 328066609 /nfs/dbraw/zinc/06/66/09/328066609.db2.gz NJLHUNIFHHQOCV-OLZOCXBDSA-N 2 1 282.388 -1.048 20 0 CAADMP [NH3+][C@H]1C[C@@H]2C[N@@H+](CCCN3CCOCC3)CCN2C1=O ZINC000563442035 328066610 /nfs/dbraw/zinc/06/66/10/328066610.db2.gz NJLHUNIFHHQOCV-OLZOCXBDSA-N 2 1 282.388 -1.048 20 0 CAADMP O=C(CC[N@@H+]1CC[C@H]2OCCN[C@H]2C1)N1CC[NH2+]CC1 ZINC000571095196 328085177 /nfs/dbraw/zinc/08/51/77/328085177.db2.gz FYADONMOAWJGQJ-QWHCGFSZSA-N 2 1 282.388 -1.129 20 0 CAADMP O=C(CC[N@H+]1CC[C@H]2OCCN[C@H]2C1)N1CC[NH2+]CC1 ZINC000571095196 328085178 /nfs/dbraw/zinc/08/51/78/328085178.db2.gz FYADONMOAWJGQJ-QWHCGFSZSA-N 2 1 282.388 -1.129 20 0 CAADMP O=C(CC[N@@H+]1CC[C@H]2OCCN[C@@H]2C1)N1CC[NH2+]CC1 ZINC000571095194 328085215 /nfs/dbraw/zinc/08/52/15/328085215.db2.gz FYADONMOAWJGQJ-CHWSQXEVSA-N 2 1 282.388 -1.129 20 0 CAADMP O=C(CC[N@H+]1CC[C@H]2OCCN[C@@H]2C1)N1CC[NH2+]CC1 ZINC000571095194 328085216 /nfs/dbraw/zinc/08/52/16/328085216.db2.gz FYADONMOAWJGQJ-CHWSQXEVSA-N 2 1 282.388 -1.129 20 0 CAADMP COCCC[N@@H+](C)CCNC(=O)C(=O)NC1C[NH2+]C1 ZINC000557293278 327000568 /nfs/dbraw/zinc/00/05/68/327000568.db2.gz APBMATMCNJTQBJ-UHFFFAOYSA-N 2 1 272.349 -1.841 20 0 CAADMP CO[C@@H](C[NH3+])C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000584171877 327056915 /nfs/dbraw/zinc/05/69/15/327056915.db2.gz KFIHGVPDFNJNKK-QWRGUYRKSA-N 2 1 284.360 -1.617 20 0 CAADMP CO[C@H](C[NH3+])C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000584171878 327056932 /nfs/dbraw/zinc/05/69/32/327056932.db2.gz KFIHGVPDFNJNKK-WDEREUQCSA-N 2 1 284.360 -1.617 20 0 CAADMP [NH3+]CC(F)(F)CNC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000569471556 327182934 /nfs/dbraw/zinc/18/29/34/327182934.db2.gz BIHHGRYQAATNCS-YUMQZZPRSA-N 2 1 291.302 -1.466 20 0 CAADMP COCC[N@@H+](C)C[C@H](O)CN1CC[NH+](CCO)[C@H](C)C1 ZINC000573622107 327243509 /nfs/dbraw/zinc/24/35/09/327243509.db2.gz XOWLWFIJTQAXNR-KGLIPLIRSA-N 2 1 289.420 -1.076 20 0 CAADMP COCC[NH+](C)C[C@H](O)CN1CC[N@H+](CCO)[C@H](C)C1 ZINC000573622107 327243510 /nfs/dbraw/zinc/24/35/10/327243510.db2.gz XOWLWFIJTQAXNR-KGLIPLIRSA-N 2 1 289.420 -1.076 20 0 CAADMP COCC[NH+](C)C[C@H](O)CN1CC[N@@H+](CCO)[C@H](C)C1 ZINC000573622107 327243511 /nfs/dbraw/zinc/24/35/11/327243511.db2.gz XOWLWFIJTQAXNR-KGLIPLIRSA-N 2 1 289.420 -1.076 20 0 CAADMP COCC[N@@H+](C)C[C@@H](O)CN1CC[NH+](CCO)[C@@H](C)C1 ZINC000573622108 327243548 /nfs/dbraw/zinc/24/35/48/327243548.db2.gz XOWLWFIJTQAXNR-UONOGXRCSA-N 2 1 289.420 -1.076 20 0 CAADMP COCC[NH+](C)C[C@@H](O)CN1CC[N@H+](CCO)[C@@H](C)C1 ZINC000573622108 327243549 /nfs/dbraw/zinc/24/35/49/327243549.db2.gz XOWLWFIJTQAXNR-UONOGXRCSA-N 2 1 289.420 -1.076 20 0 CAADMP COCC[NH+](C)C[C@@H](O)CN1CC[N@@H+](CCO)[C@@H](C)C1 ZINC000573622108 327243550 /nfs/dbraw/zinc/24/35/50/327243550.db2.gz XOWLWFIJTQAXNR-UONOGXRCSA-N 2 1 289.420 -1.076 20 0 CAADMP C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NC1C[NH2+]C1 ZINC000578865758 327352264 /nfs/dbraw/zinc/35/22/64/327352264.db2.gz OKWHBSJOROOYQD-KWQFWETISA-N 2 1 266.345 -1.327 20 0 CAADMP CN1CCN(C(=O)C(=O)NCC[N@@H+](C)C2CC2)[C@@H](C[NH3+])C1 ZINC000561239519 327378292 /nfs/dbraw/zinc/37/82/92/327378292.db2.gz HARATJAJYWNNNV-LBPRGKRZSA-N 2 1 297.403 -1.702 20 0 CAADMP O=C(NCCC[NH+]1CCOCC1)C(=O)N[C@H]1CC[NH2+]C1 ZINC000570464673 327593883 /nfs/dbraw/zinc/59/38/83/327593883.db2.gz WKEDWGLEWBYBEX-NSHDSACASA-N 2 1 284.360 -1.697 20 0 CAADMP O=C(N[C@H]1CC[NH2+]C1)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000582432225 328987984 /nfs/dbraw/zinc/98/79/84/328987984.db2.gz NGKRKMDTXLVBGX-RYUDHWBXSA-N 2 1 295.387 -1.046 20 0 CAADMP O[C@H](C[NH2+]C[C@H](O)CN1CCOCC1)C[NH+]1CCCC1 ZINC000583694100 329004528 /nfs/dbraw/zinc/00/45/28/329004528.db2.gz WOIUQVUOBPMESD-KGLIPLIRSA-N 2 1 287.404 -1.274 20 0 CAADMP C[C@@H]1C[N@H+](CCN2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)CCO1 ZINC000582796286 329207911 /nfs/dbraw/zinc/20/79/11/329207911.db2.gz BCFDZIOXTRDSDN-AGIUHOORSA-N 2 1 282.388 -1.049 20 0 CAADMP C[C@@H]1C[N@@H+](CCN2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)CCO1 ZINC000582796286 329207912 /nfs/dbraw/zinc/20/79/12/329207912.db2.gz BCFDZIOXTRDSDN-AGIUHOORSA-N 2 1 282.388 -1.049 20 0 CAADMP C[C@@H]1C[N@H+](CCN2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)CCO1 ZINC000582796290 329208244 /nfs/dbraw/zinc/20/82/44/329208244.db2.gz BCFDZIOXTRDSDN-UPJWGTAASA-N 2 1 282.388 -1.049 20 0 CAADMP C[C@@H]1C[N@@H+](CCN2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)CCO1 ZINC000582796290 329208245 /nfs/dbraw/zinc/20/82/45/329208245.db2.gz BCFDZIOXTRDSDN-UPJWGTAASA-N 2 1 282.388 -1.049 20 0 CAADMP CN(CC(=O)N1CC[NH2+]CC1)C(=O)CC(F)(F)C[NH3+] ZINC000583032201 329305256 /nfs/dbraw/zinc/30/52/56/329305256.db2.gz LWJDZIYDQZKTMU-UHFFFAOYSA-N 2 1 278.303 -1.139 20 0 CAADMP COCCN(C)C[C@H](O)C[N@H+]1CC[C@@H](CO)[C@@H](O)C1 ZINC000583211929 329368095 /nfs/dbraw/zinc/36/80/95/329368095.db2.gz HODAKMPINNDAEW-AVGNSLFASA-N 2 1 276.377 -1.399 20 0 CAADMP COCCN(C)C[C@H](O)C[N@H+]1CC[C@H](CO)[C@H](O)C1 ZINC000583211930 329368347 /nfs/dbraw/zinc/36/83/47/329368347.db2.gz HODAKMPINNDAEW-FRRDWIJNSA-N 2 1 276.377 -1.399 20 0 CAADMP COCCN(C)C[C@H](O)C[N@H+]1CC[C@@H](CO)[C@H](O)C1 ZINC000583211931 329368381 /nfs/dbraw/zinc/36/83/81/329368381.db2.gz HODAKMPINNDAEW-RWMBFGLXSA-N 2 1 276.377 -1.399 20 0 CAADMP C[C@H](C(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1)N1CC[NH+](C)CC1 ZINC000572079943 329942665 /nfs/dbraw/zinc/94/26/65/329942665.db2.gz ASMTYMLIKJGCAX-AGIUHOORSA-N 2 1 284.404 -1.244 20 0 CAADMP [NH3+]C1(C(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)CC1 ZINC000572365499 330005320 /nfs/dbraw/zinc/00/53/20/330005320.db2.gz UUWNEEJVLQDZHS-UHFFFAOYSA-N 2 1 288.373 -2.077 20 0 CAADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000516939448 333087121 /nfs/dbraw/zinc/08/71/21/333087121.db2.gz ZHGVBKQMCGVVAY-NWDGAFQWSA-N 2 1 298.387 -1.309 20 0 CAADMP [NH3+]C[C@@H]1C[N@@H+](CCC(=O)N2CC[NH2+]CC2)CCCO1 ZINC000572524317 333185064 /nfs/dbraw/zinc/18/50/64/333185064.db2.gz CSWYMHOZRLHSNV-GFCCVEGCSA-N 3 1 270.377 -1.142 20 0 CAADMP CC(C)Nc1nc(N(C)[C@H]2CC[NH2+]C2)nc(NCCO)[nH+]1 ZINC000576135686 335159502 /nfs/dbraw/zinc/15/95/02/335159502.db2.gz LJYYQWQGMFCPHG-JTQLQIEISA-N 2 1 295.391 -1.262 20 0 CAADMP CC(C)[N@@H+](C)CC(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000549903392 334208301 /nfs/dbraw/zinc/20/83/01/334208301.db2.gz KYPCFKDCAKXVMH-UHFFFAOYSA-N 2 1 256.350 -1.125 20 0 CAADMP C[C@H]([NH3+])C(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000566256907 334639204 /nfs/dbraw/zinc/63/92/04/334639204.db2.gz GDWXPNIYJCYGMV-QMMMGPOBSA-N 2 1 276.362 -2.221 20 0 CAADMP C[NH+]1CCN(C(=O)CC[NH2+]C[C@@H](O)Cn2cccn2)CC1 ZINC000567691779 334752538 /nfs/dbraw/zinc/75/25/38/334752538.db2.gz FDVYUDZAMWJLOY-CYBMUJFWSA-N 2 1 295.387 -1.002 20 0 CAADMP COC[C@H](O)C[NH2+]CCC(=O)N1CC[NH+](C)CC1 ZINC000567726794 334756174 /nfs/dbraw/zinc/75/61/74/334756174.db2.gz XMPGIJPZQITJNW-LLVKDONJSA-N 2 1 259.350 -1.253 20 0 CAADMP CC[NH+]1CCN(C(=O)NCC(=O)N2CC[NH2+]CC2)CC1 ZINC000576688395 335234742 /nfs/dbraw/zinc/23/47/42/335234742.db2.gz ZBIKTVQIHPMGCD-UHFFFAOYSA-N 2 1 283.376 -1.235 20 0 CAADMP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@H](O)[C@@H]([NH+](C)C)C2)C1 ZINC000577123547 335304462 /nfs/dbraw/zinc/30/44/62/335304462.db2.gz PEYFABCSDUYHIQ-SRVKXCTJSA-N 2 1 271.361 -1.160 20 0 CAADMP CC[N@H+]1CCO[C@H](C(=O)N2C[C@H](O)[C@@H]([NH+](C)C)C2)C1 ZINC000577123547 335304464 /nfs/dbraw/zinc/30/44/64/335304464.db2.gz PEYFABCSDUYHIQ-SRVKXCTJSA-N 2 1 271.361 -1.160 20 0 CAADMP CC[N@@H+]1CCO[C@H](C(=O)NC[C@H]2C[NH2+]CCN2C)C1 ZINC000577491943 335358747 /nfs/dbraw/zinc/35/87/47/335358747.db2.gz WSUDBVSWBIRDON-NEPJUHHUSA-N 2 1 270.377 -1.273 20 0 CAADMP CC[N@H+]1CCO[C@H](C(=O)NC[C@H]2C[NH2+]CCN2C)C1 ZINC000577491943 335358748 /nfs/dbraw/zinc/35/87/48/335358748.db2.gz WSUDBVSWBIRDON-NEPJUHHUSA-N 2 1 270.377 -1.273 20 0 CAADMP CC[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2C[NH2+]CCN2C)C1 ZINC000577491945 335358804 /nfs/dbraw/zinc/35/88/04/335358804.db2.gz WSUDBVSWBIRDON-RYUDHWBXSA-N 2 1 270.377 -1.273 20 0 CAADMP CC[N@H+]1CCO[C@H](C(=O)NC[C@@H]2C[NH2+]CCN2C)C1 ZINC000577491945 335358805 /nfs/dbraw/zinc/35/88/05/335358805.db2.gz WSUDBVSWBIRDON-RYUDHWBXSA-N 2 1 270.377 -1.273 20 0 CAADMP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2C[NH2+]CCN2C)C1 ZINC000577491946 335358815 /nfs/dbraw/zinc/35/88/15/335358815.db2.gz WSUDBVSWBIRDON-VXGBXAGGSA-N 2 1 270.377 -1.273 20 0 CAADMP CC[N@H+]1CCO[C@@H](C(=O)NC[C@H]2C[NH2+]CCN2C)C1 ZINC000577491946 335358816 /nfs/dbraw/zinc/35/88/16/335358816.db2.gz WSUDBVSWBIRDON-VXGBXAGGSA-N 2 1 270.377 -1.273 20 0 CAADMP C[NH+](C)[C@H]1CN(C(=O)[C@H]2C[N@H+]3CCN2CCC3)C[C@@H]1O ZINC000581260556 336033971 /nfs/dbraw/zinc/03/39/71/336033971.db2.gz CYVKXZGNKMFQGC-XQQFMLRXSA-N 2 1 282.388 -1.490 20 0 CAADMP NS(=O)(=O)C[C@@H]1CCC[N@H+]1CCOCC[NH3+] ZINC000581429904 336075978 /nfs/dbraw/zinc/07/59/78/336075978.db2.gz OLVJMWNYOLNFSK-VIFPVBQESA-N 2 1 251.352 -1.285 20 0 CAADMP C[C@@H]1CN(CCC(=O)N2CCNCC2)CC(=O)N1 ZINC000386929888 336182543 /nfs/dbraw/zinc/18/25/43/336182543.db2.gz RDJOOTWZLAOQFE-SNVBAGLBSA-N 2 1 254.334 -1.371 20 0 CAADMP C[NH+]1CCN(C(=O)C2CC[NH+](C[C@H](O)CO)CC2)CC1 ZINC001252060034 782101742 /nfs/dbraw/zinc/10/17/42/782101742.db2.gz CQQQBGQJJBDJOH-ZDUSSCGKSA-N 2 1 285.388 -1.174 20 0 CAADMP C[N@H+]1CC[C@H](C(=O)N2CCCO[C@@H](C[NH2+]CC(N)=O)C2)C1 ZINC001202057171 782109926 /nfs/dbraw/zinc/10/99/26/782109926.db2.gz DOQGQLBZYDQGAY-RYUDHWBXSA-N 2 1 298.387 -1.370 20 0 CAADMP C[N@H+]1CC[C@H](C(=O)N2CCCO[C@H](C[NH2+]CC(N)=O)C2)C1 ZINC001202057170 782110376 /nfs/dbraw/zinc/11/03/76/782110376.db2.gz DOQGQLBZYDQGAY-NWDGAFQWSA-N 2 1 298.387 -1.370 20 0 CAADMP COC(=O)[C@H](O)C[NH2+]CCC[NH+](CCO)CCO ZINC001252436230 782115369 /nfs/dbraw/zinc/11/53/69/782115369.db2.gz PSBLRTGAHHERAV-SNVBAGLBSA-N 2 1 264.322 -2.213 20 0 CAADMP COC[C@@H](O)C[NH2+]CCC[NH+](CCO)CCO ZINC001252825830 782124243 /nfs/dbraw/zinc/12/42/43/782124243.db2.gz YNYHYAIGDMWBOE-NSHDSACASA-N 2 1 250.339 -1.740 20 0 CAADMP C[NH+](C)CCN1C(=O)C[C@@]2(CCC[N@@H+](CC(N)=O)C2)C1=O ZINC001274062619 782133569 /nfs/dbraw/zinc/13/35/69/782133569.db2.gz UCWAOWIUWUNJPQ-CQSZACIVSA-N 2 1 296.371 -1.126 20 0 CAADMP C[NH+](C)CCN1C(=O)C[C@]2(CCC[N@@H+](CC(N)=O)C2)C1=O ZINC001274062617 782133669 /nfs/dbraw/zinc/13/36/69/782133669.db2.gz UCWAOWIUWUNJPQ-AWEZNQCLSA-N 2 1 296.371 -1.126 20 0 CAADMP C[N@H+]1CC[C@@H](C(=O)N2CCO[C@@H](C[NH2+]CCO)C2)C1 ZINC001280665738 782137624 /nfs/dbraw/zinc/13/76/24/782137624.db2.gz DTDMIGVGPNBESS-NEPJUHHUSA-N 2 1 271.361 -1.253 20 0 CAADMP C[NH+](C)CCN1CC[C@]2(CC[N@@H+](C[C@H](O)CO)C2)C1=O ZINC001274563750 782152076 /nfs/dbraw/zinc/15/20/76/782152076.db2.gz BGXWFCPZGURRMX-JSGCOSHPSA-N 2 1 285.388 -1.174 20 0 CAADMP CC[N@@H+]1CCO[C@H](C(=O)NC/C=C/C[NH2+][C@H](C)C(N)=O)C1 ZINC001274598723 782153258 /nfs/dbraw/zinc/15/32/58/782153258.db2.gz DHDDLLOMXFEPES-RVAOTSRCSA-N 2 1 298.387 -1.157 20 0 CAADMP CC[N@H+]1CCO[C@H](C(=O)NC/C=C/C[NH2+][C@H](C)C(N)=O)C1 ZINC001274598723 782153262 /nfs/dbraw/zinc/15/32/62/782153262.db2.gz DHDDLLOMXFEPES-RVAOTSRCSA-N 2 1 298.387 -1.157 20 0 CAADMP C[NH+](C)C[C@H](N)C(=O)NCC[N@H+]1CCCOCC1 ZINC000876891137 582263580 /nfs/dbraw/zinc/26/35/80/582263580.db2.gz QVBYJTGZVQKJMK-NSHDSACASA-N 2 1 258.366 -1.286 20 0 CAADMP C[C@H]1CN(C(=O)C(=O)N2C[C@@H]3CC[N@@H+](C)[C@@H]3C2)CC[NH2+]1 ZINC000423672641 533805254 /nfs/dbraw/zinc/80/52/54/533805254.db2.gz FCOXBFKXYGNWAI-SDDRHHMPSA-N 2 1 280.372 -1.031 20 0 CAADMP C[C@H](O)C[N@H+]1CCN(C(=O)CNC(=O)C[NH3+])C[C@@H]1C ZINC000347671983 534078981 /nfs/dbraw/zinc/07/89/81/534078981.db2.gz BEMALLDSBLYXTJ-UWVGGRQHSA-N 2 1 272.349 -2.025 20 0 CAADMP O=C(CC[N@H+]1CCN2C(=O)NC[C@@H]2C1)N1CC[NH2+]CC1 ZINC000091753239 534405059 /nfs/dbraw/zinc/40/50/59/534405059.db2.gz JPZRUFKCQUDQOA-LLVKDONJSA-N 2 1 281.360 -1.482 20 0 CAADMP NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)[C@@H]2C[NH2+]CCO2)C1 ZINC000430899125 534450625 /nfs/dbraw/zinc/45/06/25/534450625.db2.gz YVRPFAOUCOCZMS-RYUDHWBXSA-N 2 1 298.387 -1.322 20 0 CAADMP C[C@@H]1C[N@H+](CCCNC(=O)CNC(=O)C[NH3+])C[C@H](C)O1 ZINC000262184249 534465290 /nfs/dbraw/zinc/46/52/90/534465290.db2.gz GWTZMMDQIRQENM-PHIMTYICSA-N 2 1 286.376 -1.323 20 0 CAADMP [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)[C@@H]2COCC[NH2+]2)C1 ZINC000429005657 534635521 /nfs/dbraw/zinc/63/55/21/534635521.db2.gz KCSPSEWCNKZJAY-QWRGUYRKSA-N 2 1 284.360 -1.712 20 0 CAADMP CNC(=O)CC[N@@H+](C)CCC(=O)N1CC[NH2+]CC1 ZINC000234348936 524066771 /nfs/dbraw/zinc/06/67/71/524066771.db2.gz BLZMGBHSVZKMKX-UHFFFAOYSA-N 2 1 256.350 -1.124 20 0 CAADMP C[C@H]([NH3+])C(=O)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000353215785 524817917 /nfs/dbraw/zinc/81/79/17/524817917.db2.gz UGOUAIOOVNDZFP-JTQLQIEISA-N 2 1 256.350 -1.044 20 0 CAADMP C[C@H](O)C[N@@H+]1CCN(C(=O)[C@H]2C[NH2+]CCO2)C[C@H]1C ZINC000246263964 525760028 /nfs/dbraw/zinc/76/00/28/525760028.db2.gz LGMNDKZYDVBLJE-GRYCIOLGSA-N 2 1 271.361 -1.112 20 0 CAADMP C[C@H](O)C[N@H+]1CCN(C(=O)[C@H]2C[NH2+]CCO2)C[C@H]1C ZINC000246263964 525760034 /nfs/dbraw/zinc/76/00/34/525760034.db2.gz LGMNDKZYDVBLJE-GRYCIOLGSA-N 2 1 271.361 -1.112 20 0 CAADMP C[C@H](O)C[N@@H+]1CCN(C(=O)[C@@H]2C[C@@H](O)C[NH2+]2)C[C@H]1C ZINC000357926412 525760951 /nfs/dbraw/zinc/76/09/51/525760951.db2.gz HNYXOPDKBZOINV-KXNHARMFSA-N 2 1 271.361 -1.377 20 0 CAADMP C[C@H](O)C[N@H+]1CCN(C(=O)[C@@H]2C[C@@H](O)C[NH2+]2)C[C@H]1C ZINC000357926412 525760956 /nfs/dbraw/zinc/76/09/56/525760956.db2.gz HNYXOPDKBZOINV-KXNHARMFSA-N 2 1 271.361 -1.377 20 0 CAADMP O=C(NCC[NH+]1CCSCC1)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000226389991 526323322 /nfs/dbraw/zinc/32/33/22/526323322.db2.gz SFPJLVHRVPLTOF-NXEZZACHSA-N 2 1 259.375 -1.126 20 0 CAADMP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@@]2(O)CC[NH+](C)C2)C1 ZINC000356081165 527728685 /nfs/dbraw/zinc/72/86/85/527728685.db2.gz SLUMNMGAXMYCNX-YPMHNXCESA-N 2 1 271.361 -1.110 20 0 CAADMP CC[N@H+]1CCO[C@@H](C(=O)NC[C@@]2(O)CC[NH+](C)C2)C1 ZINC000356081165 527728688 /nfs/dbraw/zinc/72/86/88/527728688.db2.gz SLUMNMGAXMYCNX-YPMHNXCESA-N 2 1 271.361 -1.110 20 0 CAADMP CC[NH+]1CCO[C@@H](C(=O)NC[C@@]2(O)CC[N@H+](C)C2)C1 ZINC000356081165 527728691 /nfs/dbraw/zinc/72/86/91/527728691.db2.gz SLUMNMGAXMYCNX-YPMHNXCESA-N 2 1 271.361 -1.110 20 0 CAADMP CC[NH+]1CCO[C@@H](C(=O)NC[C@@]2(O)CC[N@@H+](C)C2)C1 ZINC000356081165 527728697 /nfs/dbraw/zinc/72/86/97/527728697.db2.gz SLUMNMGAXMYCNX-YPMHNXCESA-N 2 1 271.361 -1.110 20 0 CAADMP CC[N@@H+]1CCO[C@H](C(=O)NC[C@]2(O)CC[NH+](C)C2)C1 ZINC000356081155 527737045 /nfs/dbraw/zinc/73/70/45/527737045.db2.gz SLUMNMGAXMYCNX-WCQYABFASA-N 2 1 271.361 -1.110 20 0 CAADMP CC[N@H+]1CCO[C@H](C(=O)NC[C@]2(O)CC[NH+](C)C2)C1 ZINC000356081155 527737051 /nfs/dbraw/zinc/73/70/51/527737051.db2.gz SLUMNMGAXMYCNX-WCQYABFASA-N 2 1 271.361 -1.110 20 0 CAADMP CC[NH+]1CCO[C@H](C(=O)NC[C@]2(O)CC[N@H+](C)C2)C1 ZINC000356081155 527737057 /nfs/dbraw/zinc/73/70/57/527737057.db2.gz SLUMNMGAXMYCNX-WCQYABFASA-N 2 1 271.361 -1.110 20 0 CAADMP CC[NH+]1CCO[C@H](C(=O)NC[C@]2(O)CC[N@@H+](C)C2)C1 ZINC000356081155 527737059 /nfs/dbraw/zinc/73/70/59/527737059.db2.gz SLUMNMGAXMYCNX-WCQYABFASA-N 2 1 271.361 -1.110 20 0 CAADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)CNC(=O)C[NH3+])C1 ZINC000262277204 528017533 /nfs/dbraw/zinc/01/75/33/528017533.db2.gz XSLACJKFVKZHRG-LLVKDONJSA-N 2 1 286.376 -1.466 20 0 CAADMP CC(C)[C@@H](CNC(=O)CNC(=O)C[NH3+])[NH+]1CCOCC1 ZINC000262187981 528448822 /nfs/dbraw/zinc/44/88/22/528448822.db2.gz HPSXDJRJHIHTLX-LLVKDONJSA-N 2 1 286.376 -1.466 20 0 CAADMP C[N@@H+]1CCO[C@H](C(=O)NC2CC(C[NH2+]CCO)C2)C1 ZINC001275214608 782166999 /nfs/dbraw/zinc/16/69/99/782166999.db2.gz CUHVQXKPGSCLEI-MCIGGMRASA-N 2 1 271.361 -1.206 20 0 CAADMP C[N@H+]1CCO[C@H](C(=O)NC2CC(C[NH2+]CCO)C2)C1 ZINC001275214608 782167004 /nfs/dbraw/zinc/16/70/04/782167004.db2.gz CUHVQXKPGSCLEI-MCIGGMRASA-N 2 1 271.361 -1.206 20 0 CAADMP C[N@@H+]1CCO[C@@H](C(=O)NC2CC(C[NH2+]CCO)C2)C1 ZINC001275214607 782167482 /nfs/dbraw/zinc/16/74/82/782167482.db2.gz CUHVQXKPGSCLEI-HTAVTVPLSA-N 2 1 271.361 -1.206 20 0 CAADMP C[N@H+]1CCO[C@@H](C(=O)NC2CC(C[NH2+]CCO)C2)C1 ZINC001275214607 782167490 /nfs/dbraw/zinc/16/74/90/782167490.db2.gz CUHVQXKPGSCLEI-HTAVTVPLSA-N 2 1 271.361 -1.206 20 0 CAADMP CC(C)[NH+]1CCN(C(=O)C(=O)N(C)CC[NH3+])CC1 ZINC000423705763 529030576 /nfs/dbraw/zinc/03/05/76/529030576.db2.gz IMMMRHVXWNALOD-UHFFFAOYSA-N 2 1 256.350 -1.044 20 0 CAADMP CC[C@H]1CN(C(=O)CNC(=O)C[NH3+])CC[N@H+]1CCOC ZINC000125231095 529269639 /nfs/dbraw/zinc/26/96/39/529269639.db2.gz FBNOTKSRRMXALK-NSHDSACASA-N 2 1 286.376 -1.370 20 0 CAADMP CC[C@@H]1CN(C(=O)CNC(=O)C[NH3+])CC[N@H+]1C[C@@H](C)O ZINC000262377407 529363036 /nfs/dbraw/zinc/36/30/36/529363036.db2.gz JVBSBXKLJORRDK-GHMZBOCLSA-N 2 1 286.376 -1.635 20 0 CAADMP CC1(OCC(=O)NC[C@H]2C[N@H+]3CCN2CCC3)C[NH2+]C1 ZINC000394392561 545498397 /nfs/dbraw/zinc/49/83/97/545498397.db2.gz RMZUIKBVMXSXDQ-LBPRGKRZSA-N 2 1 282.388 -1.129 20 0 CAADMP CO[C@@H](C[NH3+])CC(=O)NC[C@H]1C[N@H+]2CCN1CCC2 ZINC000394371995 545497853 /nfs/dbraw/zinc/49/78/53/545497853.db2.gz GPZSQDJORNWALF-NWDGAFQWSA-N 2 1 270.377 -1.144 20 0 CAADMP CO[C@H](C[NH3+])CC(=O)NC[C@H]1C[N@H+]2CCN1CCC2 ZINC000394371996 545497865 /nfs/dbraw/zinc/49/78/65/545497865.db2.gz GPZSQDJORNWALF-RYUDHWBXSA-N 2 1 270.377 -1.144 20 0 CAADMP O=C(NC[C@H]1C[N@H+]2CCN1CCC2)[C@@H]1C[NH2+]CCO1 ZINC000394388944 545498691 /nfs/dbraw/zinc/49/86/91/545498691.db2.gz NRHBYZPUXJONOH-RYUDHWBXSA-N 2 1 268.361 -1.519 20 0 CAADMP O=C(C[C@H]1COCC[NH2+]1)NC[C@H]1C[N@H+]2CCN1CCC2 ZINC000394391814 545498815 /nfs/dbraw/zinc/49/88/15/545498815.db2.gz MBUNFQDMCVQUFD-STQMWFEESA-N 2 1 282.388 -1.129 20 0 CAADMP [NH3+]CC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000648178352 545508951 /nfs/dbraw/zinc/50/89/51/545508951.db2.gz UHKSLNINZCIKBS-UHFFFAOYSA-N 2 1 262.335 -2.609 20 0 CAADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1 ZINC000664083473 545510005 /nfs/dbraw/zinc/51/00/05/545510005.db2.gz RJUQBUQHXBGCOC-AVGNSLFASA-N 2 1 299.419 -1.452 20 0 CAADMP C[NH+]1CCN(C(=O)Cn2cc(CCC[NH3+])nn2)CC1 ZINC000229834069 545532162 /nfs/dbraw/zinc/53/21/62/545532162.db2.gz QVEJWLULVZFEGD-UHFFFAOYSA-N 2 1 266.349 -1.057 20 0 CAADMP C[C@H](CNC(=O)[C@H]1C[C@@H](O)C[NH2+]1)C[NH+]1CCOCC1 ZINC000357904754 545541962 /nfs/dbraw/zinc/54/19/62/545541962.db2.gz HJYRELJOYBNSAA-IJLUTSLNSA-N 2 1 271.361 -1.206 20 0 CAADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)COC1(C)C[NH2+]C1 ZINC000098061786 545550869 /nfs/dbraw/zinc/55/08/69/545550869.db2.gz QCVLMSFKYVGFBX-NSHDSACASA-N 2 1 270.377 -1.273 20 0 CAADMP [NH3+]CC(=O)NCC(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000645953137 545554329 /nfs/dbraw/zinc/55/43/29/545554329.db2.gz DINQYBTVLUYDIR-JTQLQIEISA-N 2 1 254.334 -1.338 20 0 CAADMP CN1CCN(C(=O)CC[N@@H+]2C[C@H](O)C[C@H](O)C2)CC1 ZINC000669930691 545556501 /nfs/dbraw/zinc/55/65/01/545556501.db2.gz NOGYHLZKKFLAGF-TXEJJXNPSA-N 2 1 271.361 -1.422 20 0 CAADMP C[NH+]1CCN(C(=O)CC[N@H+]2C[C@H](O)C[C@H](O)C2)CC1 ZINC000669930691 545556503 /nfs/dbraw/zinc/55/65/03/545556503.db2.gz NOGYHLZKKFLAGF-TXEJJXNPSA-N 2 1 271.361 -1.422 20 0 CAADMP O=C(C(=O)N1CCC[NH2+]CC1)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000405332006 545559148 /nfs/dbraw/zinc/55/91/48/545559148.db2.gz ZXRPRQOCHWNTAJ-NWDGAFQWSA-N 2 1 296.371 -1.914 20 0 CAADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)C1(O)C[NH2+]C1 ZINC000662710748 545578495 /nfs/dbraw/zinc/57/84/95/545578495.db2.gz JIKGLUCOWLZLQX-LLVKDONJSA-N 2 1 298.387 -1.620 20 0 CAADMP O=C(NC[C@@H]1C[N@H+]2CCN1CCC2)C1(O)C[NH2+]C1 ZINC000662909083 545581267 /nfs/dbraw/zinc/58/12/67/545581267.db2.gz YGNMIVSTSIQFFI-SNVBAGLBSA-N 2 1 254.334 -2.173 20 0 CAADMP O=C(NC[C@H]1C[N@H+]2CCN1CCC2)[C@]12C[NH2+]C[C@H]1COC2 ZINC000662909255 545581322 /nfs/dbraw/zinc/58/13/22/545581322.db2.gz YWBYPGXTNKTGEK-YDHLFZDLSA-N 2 1 294.399 -1.272 20 0 CAADMP [NH3+]C[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1C[N@H+]2CCN1CCC2 ZINC000662906786 545581480 /nfs/dbraw/zinc/58/14/80/545581480.db2.gz LPQLVUUYTSCLSQ-AVGNSLFASA-N 2 1 282.388 -1.144 20 0 CAADMP [NH3+]C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1C[N@H+]2CCN1CCC2 ZINC000662906787 545581573 /nfs/dbraw/zinc/58/15/73/545581573.db2.gz LPQLVUUYTSCLSQ-UPJWGTAASA-N 2 1 282.388 -1.144 20 0 CAADMP O=C(CCOC1C[NH2+]C1)NC[C@@H]1C[N@H+]2CCN1CCC2 ZINC000662907874 545581640 /nfs/dbraw/zinc/58/16/40/545581640.db2.gz YDGRKFGINFMROW-GFCCVEGCSA-N 2 1 282.388 -1.129 20 0 CAADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000891539727 582110286 /nfs/dbraw/zinc/11/02/86/582110286.db2.gz DKGRQGIKQHDIAH-SRVKXCTJSA-N 2 1 267.377 -1.012 20 0 CAADMP CC(=O)NCCNC(=[NH2+])NCCC[NH+]1CCOCC1 ZINC000848981218 582111162 /nfs/dbraw/zinc/11/11/62/582111162.db2.gz FGLYOMFONPCBPE-UHFFFAOYSA-N 2 1 271.365 -1.041 20 0 CAADMP C[N@H+]1CC[C@](O)(CNC(=O)C2C[NH+]([C@H]3CCOC3)C2)C1 ZINC000897397995 582117287 /nfs/dbraw/zinc/11/72/87/582117287.db2.gz PLTBEPKVFJWJHE-JSGCOSHPSA-N 2 1 283.372 -1.110 20 0 CAADMP C[N@H+]1CC[C@](O)(CNC(=O)C2C[NH+]([C@@H]3CCOC3)C2)C1 ZINC000897397996 582117305 /nfs/dbraw/zinc/11/73/05/582117305.db2.gz PLTBEPKVFJWJHE-OCCSQVGLSA-N 2 1 283.372 -1.110 20 0 CAADMP CC[NH+]1CCN(CC(=O)NCC[N@@H+](C)CCO)CC1 ZINC000899734350 582122478 /nfs/dbraw/zinc/12/24/78/582122478.db2.gz BETOBXVMRLRIQP-UHFFFAOYSA-N 2 1 272.393 -1.336 20 0 CAADMP C[N@@H+](CCO)CCNC(=O)C1C[NH+]([C@H]2CCOC2)C1 ZINC000899741985 582122487 /nfs/dbraw/zinc/12/24/87/582122487.db2.gz YHFAKNXKQAUZGB-LBPRGKRZSA-N 2 1 271.361 -1.253 20 0 CAADMP C[C@@H](C(=O)NCC[N@H+](C)CCO)N1CC[NH+](C)CC1 ZINC000899732590 582122591 /nfs/dbraw/zinc/12/25/91/582122591.db2.gz JTTANCWVLRDVBL-LBPRGKRZSA-N 2 1 272.393 -1.337 20 0 CAADMP C[C@@H](C(=O)NCC[N@@H+](C)CCO)N1CC[NH+](C)CC1 ZINC000899732590 582122592 /nfs/dbraw/zinc/12/25/92/582122592.db2.gz JTTANCWVLRDVBL-LBPRGKRZSA-N 2 1 272.393 -1.337 20 0 CAADMP C[N@@H+](CCO)CCNC(=O)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000899741984 582122614 /nfs/dbraw/zinc/12/26/14/582122614.db2.gz YHFAKNXKQAUZGB-GFCCVEGCSA-N 2 1 271.361 -1.253 20 0 CAADMP C[N@H+](CCO)CCNC(=O)CC[NH+]1CCOCC1 ZINC000899733008 582122629 /nfs/dbraw/zinc/12/26/29/582122629.db2.gz RACKVLREIUTWHI-UHFFFAOYSA-N 2 1 259.350 -1.251 20 0 CAADMP C[N@@H+](CCO)CCNC(=O)CC[NH+]1CCOCC1 ZINC000899733008 582122631 /nfs/dbraw/zinc/12/26/31/582122631.db2.gz RACKVLREIUTWHI-UHFFFAOYSA-N 2 1 259.350 -1.251 20 0 CAADMP C[C@H](C(=O)NCC[N@H+](C)CCO)N1CC[NH+](C)CC1 ZINC000899732589 582122649 /nfs/dbraw/zinc/12/26/49/582122649.db2.gz JTTANCWVLRDVBL-GFCCVEGCSA-N 2 1 272.393 -1.337 20 0 CAADMP C[C@H](C(=O)NCC[N@@H+](C)CCO)N1CC[NH+](C)CC1 ZINC000899732589 582122651 /nfs/dbraw/zinc/12/26/51/582122651.db2.gz JTTANCWVLRDVBL-GFCCVEGCSA-N 2 1 272.393 -1.337 20 0 CAADMP O[C@@H]1C[NH+](CCCCCC[N@H+]2C[C@@H](O)[C@@H](O)C2)C[C@@H]1O ZINC000750836053 582143130 /nfs/dbraw/zinc/14/31/30/582143130.db2.gz BFACSCAZMQUXNG-KPWCQOOUSA-N 2 1 288.388 -1.378 20 0 CAADMP C[NH+]1CCC(C[N@H+]2CCN3C(=O)C(=O)NC[C@@H]3C2)CC1 ZINC000788488868 582162045 /nfs/dbraw/zinc/16/20/45/582162045.db2.gz SVRROZAIZKITPY-GFCCVEGCSA-N 2 1 280.372 -1.029 20 0 CAADMP C[NH+]1CCN(C(=O)CC[NH2+]CCS(C)(=O)=O)CC1 ZINC000819062090 582177122 /nfs/dbraw/zinc/17/71/22/582177122.db2.gz NDHNOAXJNYCETA-UHFFFAOYSA-N 2 1 277.390 -1.215 20 0 CAADMP COC(=O)C[C@H]([NH3+])C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000827936241 582193607 /nfs/dbraw/zinc/19/36/07/582193607.db2.gz HOEYZQFWZHQJKS-AXFHLTTASA-N 2 1 285.344 -1.144 20 0 CAADMP O=C(CC[NH+]1CCOCC1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000848307280 582226297 /nfs/dbraw/zinc/22/62/97/582226297.db2.gz FOKNQHSPVYDTBJ-QWHCGFSZSA-N 2 1 283.372 -1.014 20 0 CAADMP O=C(CC[NH+]1CCOCC1)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000848307280 582226298 /nfs/dbraw/zinc/22/62/98/582226298.db2.gz FOKNQHSPVYDTBJ-QWHCGFSZSA-N 2 1 283.372 -1.014 20 0 CAADMP CNC(=O)CCNC(=[NH2+])NCCC[NH+]1CCOCC1 ZINC000848993624 582227182 /nfs/dbraw/zinc/22/71/82/582227182.db2.gz VFPJQACDWDJOEI-UHFFFAOYSA-N 2 1 271.365 -1.041 20 0 CAADMP CNC(=O)CNC(=[NH2+])NCCC[NH+]1CCOCC1 ZINC000848982034 582227222 /nfs/dbraw/zinc/22/72/22/582227222.db2.gz MCOKXIYFIKJONI-UHFFFAOYSA-N 2 1 257.338 -1.431 20 0 CAADMP Cn1nnc(CNC(=[NH2+])NCCC[NH+]2CCOCC2)n1 ZINC000849023244 582227388 /nfs/dbraw/zinc/22/73/88/582227388.db2.gz AZJFXHFKOPHWCC-UHFFFAOYSA-N 2 1 282.352 -1.454 20 0 CAADMP CN(CCC[NH3+])C(=O)C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000851685009 582229169 /nfs/dbraw/zinc/22/91/69/582229169.db2.gz OMSUAPGYZFWCNG-NWDGAFQWSA-N 2 1 298.387 -1.227 20 0 CAADMP CN(CCC[NH3+])C(=O)C(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000851685011 582229206 /nfs/dbraw/zinc/22/92/06/582229206.db2.gz OMSUAPGYZFWCNG-RYUDHWBXSA-N 2 1 298.387 -1.227 20 0 CAADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N(CC[NH3+])CCO)C1 ZINC000851692281 582229461 /nfs/dbraw/zinc/22/94/61/582229461.db2.gz XZOXBRGUBRQMRO-NSHDSACASA-N 2 1 286.376 -1.634 20 0 CAADMP COCC[N@@H+](C)CCNC(=O)C1=NO[C@@H](C[NH3+])C1 ZINC000852863460 582231542 /nfs/dbraw/zinc/23/15/42/582231542.db2.gz GDRYNLGGVSUIGH-SECBINFHSA-N 2 1 258.322 -1.216 20 0 CAADMP COCC[N@H+]1CC[C@H](NC(=O)C2=NO[C@@H](C[NH3+])C2)C1 ZINC000852867529 582231588 /nfs/dbraw/zinc/23/15/88/582231588.db2.gz XCBNDOJSCVXVPT-VHSXEESVSA-N 2 1 270.333 -1.073 20 0 CAADMP O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)C1(O)C[NH2+]C1 ZINC000852863648 582231599 /nfs/dbraw/zinc/23/15/99/582231599.db2.gz HVKCWANUUIIPAC-NXEZZACHSA-N 2 1 255.318 -1.700 20 0 CAADMP Cn1ccnc1[C@@H]1C[NH2+]CCN1C(=O)C1=NO[C@H](C[NH3+])C1 ZINC000852877982 582231748 /nfs/dbraw/zinc/23/17/48/582231748.db2.gz KSTGTBXMNWNSMW-ONGXEEELSA-N 2 1 292.343 -1.003 20 0 CAADMP [NH3+]C[C@@H]1CC(C(=O)NC[C@H]2C[N@H+]3CCN2CCC3)=NO1 ZINC000852914630 582232392 /nfs/dbraw/zinc/23/23/92/582232392.db2.gz ZMWJVYXKRSOAPS-QWRGUYRKSA-N 2 1 281.360 -1.404 20 0 CAADMP [NH3+]C[C@@H]1CC(C(=O)NC[C@@H]2C[N@H+]3CCN2CCC3)=NO1 ZINC000852914629 582232507 /nfs/dbraw/zinc/23/25/07/582232507.db2.gz ZMWJVYXKRSOAPS-MNOVXSKESA-N 2 1 281.360 -1.404 20 0 CAADMP C[C@H]([NH3+])CN(C)C(=O)C(=O)NCc1c[nH+]c(N(C)C)n1C ZINC000861731571 582244715 /nfs/dbraw/zinc/24/47/15/582244715.db2.gz UKFCLWRXKMNKRM-VIFPVBQESA-N 2 1 296.375 -1.092 20 0 CAADMP C[C@@H]([NH3+])CN(C)C(=O)C(=O)NCc1c[nH+]c(N(C)C)n1C ZINC000861731567 582244742 /nfs/dbraw/zinc/24/47/42/582244742.db2.gz UKFCLWRXKMNKRM-SECBINFHSA-N 2 1 296.375 -1.092 20 0 CAADMP C[C@@H](NC(=O)C(=O)N(C)C[C@H](C)[NH3+])[C@@H]1C[N@H+](C)CCO1 ZINC000861755239 582244816 /nfs/dbraw/zinc/24/48/16/582244816.db2.gz UNDBMIBFVHCWKR-AXFHLTTASA-N 2 1 286.376 -1.373 20 0 CAADMP C[C@@H](NC(=O)C(=O)N(C)C[C@H](C)[NH3+])[C@@H]1C[N@@H+](C)CCO1 ZINC000861755239 582244818 /nfs/dbraw/zinc/24/48/18/582244818.db2.gz UNDBMIBFVHCWKR-AXFHLTTASA-N 2 1 286.376 -1.373 20 0 CAADMP O=C(NC[C@H]1C[N@H+]2CCC[C@H]2CO1)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000861756377 582244983 /nfs/dbraw/zinc/24/49/83/582244983.db2.gz YIPVSKUINVKVRN-WOPDTQHZSA-N 2 1 296.371 -1.556 20 0 CAADMP COCCC[N@@H+](C)CCNC(=O)C(=O)N(C)C[C@H](C)[NH3+] ZINC000861758000 582245036 /nfs/dbraw/zinc/24/50/36/582245036.db2.gz OIGPJWRFFNMJAT-NSHDSACASA-N 2 1 288.392 -1.124 20 0 CAADMP O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000861756375 582245057 /nfs/dbraw/zinc/24/50/57/582245057.db2.gz YIPVSKUINVKVRN-IJLUTSLNSA-N 2 1 296.371 -1.556 20 0 CAADMP COCC[N@H+]1CC[C@H](NC(=O)C(=O)N(C)C[C@H](C)[NH3+])C1 ZINC000861769176 582245098 /nfs/dbraw/zinc/24/50/98/582245098.db2.gz XBHBAFWEKYPDQV-QWRGUYRKSA-N 2 1 286.376 -1.371 20 0 CAADMP O=C(CC[NH+]1CCOCC1)NCC[N@H+]1CC[C@H](O)C1 ZINC000863832047 582250356 /nfs/dbraw/zinc/25/03/56/582250356.db2.gz SCICBNNDPBUTTR-LBPRGKRZSA-N 2 1 271.361 -1.109 20 0 CAADMP O=C(CC[NH+]1CCOCC1)NCC[N@@H+]1CC[C@H](O)C1 ZINC000863832047 582250357 /nfs/dbraw/zinc/25/03/57/582250357.db2.gz SCICBNNDPBUTTR-LBPRGKRZSA-N 2 1 271.361 -1.109 20 0 CAADMP C[N@H+]1C[C@@H](O)C[C@@]1(C)C(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC000864059918 582250727 /nfs/dbraw/zinc/25/07/27/582250727.db2.gz UDRFNWRAGDGYOI-OPDFLTKYSA-N 2 1 283.372 -1.281 20 0 CAADMP CN1C(=O)[C@H]2C[N@@H+](CCC(=O)N3CC[NH2+]CC3)C[C@H]2C1=O ZINC000866701901 582254010 /nfs/dbraw/zinc/25/40/10/582254010.db2.gz QXKQAWQLDRHQDO-PHIMTYICSA-N 2 1 294.355 -1.645 20 0 CAADMP [NH3+]CCOCC[N@@H+]1CCC[C@H]2OCCNC(=O)[C@@H]21 ZINC000866718084 582254114 /nfs/dbraw/zinc/25/41/14/582254114.db2.gz WEFWWKKICRCBDS-GHMZBOCLSA-N 2 1 257.334 -1.059 20 0 CAADMP [NH3+]CCOCC[N@H+]1CCC[C@H]2OCCNC(=O)[C@@H]21 ZINC000866718084 582254115 /nfs/dbraw/zinc/25/41/15/582254115.db2.gz WEFWWKKICRCBDS-GHMZBOCLSA-N 2 1 257.334 -1.059 20 0 CAADMP CN(C)C(=O)C[N@@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866714357 582254130 /nfs/dbraw/zinc/25/41/30/582254130.db2.gz MXNQGFVNLLZNIL-AXFHLTTASA-N 2 1 282.344 -1.059 20 0 CAADMP CN(C)C(=O)C[N@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866714357 582254132 /nfs/dbraw/zinc/25/41/32/582254132.db2.gz MXNQGFVNLLZNIL-AXFHLTTASA-N 2 1 282.344 -1.059 20 0 CAADMP [NH3+]CCOCC[N@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866714206 582254163 /nfs/dbraw/zinc/25/41/63/582254163.db2.gz INNMYVREIRVLNF-UTUOFQBUSA-N 3 1 284.360 -1.171 20 0 CAADMP CN(CC[NH3+])C(=O)C(=O)N1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000868390368 582256157 /nfs/dbraw/zinc/25/61/57/582256157.db2.gz ITYNYWVRRDIOGP-GHMZBOCLSA-N 2 1 268.361 -1.044 20 0 CAADMP C[N@H+]1CC[C@H]2CN(C(=O)C(=O)N3CC[NH2+]CC3)CC[C@H]21 ZINC000868385075 582256202 /nfs/dbraw/zinc/25/62/02/582256202.db2.gz JJZJLAOOMXYACI-NWDGAFQWSA-N 2 1 280.372 -1.029 20 0 CAADMP C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CC[NH2+]CC3)CC[C@@H]21 ZINC000868385074 582256242 /nfs/dbraw/zinc/25/62/42/582256242.db2.gz JJZJLAOOMXYACI-NEPJUHHUSA-N 2 1 280.372 -1.029 20 0 CAADMP C[C@H](C(=O)N1CCCN(CC(N)=O)CC1)N(C)C ZINC000874353189 582259966 /nfs/dbraw/zinc/25/99/66/582259966.db2.gz ZMUYZBRUBITUOC-SNVBAGLBSA-N 2 1 256.350 -1.044 20 0 CAADMP COCC[N@@H+](C)CCCNC(=O)[C@@H](N)C[NH+](C)C ZINC000876727943 582263116 /nfs/dbraw/zinc/26/31/16/582263116.db2.gz DNADQVBVIWDKBF-NSHDSACASA-N 2 1 260.382 -1.040 20 0 CAADMP COC[C@]1(C(=O)NCC(F)(F)C[NH3+])C[NH2+]CCO1 ZINC000876809045 582263318 /nfs/dbraw/zinc/26/33/18/582263318.db2.gz QBGQYXFBADVURE-VIFPVBQESA-N 2 1 267.276 -1.298 20 0 CAADMP C[NH+](C)C[C@H](N)C(=O)N1CC[NH2+]C[C@@H]1C(F)F ZINC000876855169 582263485 /nfs/dbraw/zinc/26/34/85/582263485.db2.gz ZHTVVHLBJVIAAZ-JGVFFNPUSA-N 2 1 250.293 -1.059 20 0 CAADMP C[NH+](C)C[C@@H]1CN(C(=O)C2(O)CNC2)C[C@H]1C[NH+](C)C ZINC000877144410 582264529 /nfs/dbraw/zinc/26/45/29/582264529.db2.gz LYJSGDFWZDTPGM-VXGBXAGGSA-N 2 1 284.404 -1.482 20 0 CAADMP OC1(C[NH+]2CCOCC2)CC[NH+](CCn2cnnn2)CC1 ZINC000878337799 582266172 /nfs/dbraw/zinc/26/61/72/582266172.db2.gz IFNITDMFWSDMAL-UHFFFAOYSA-N 2 1 296.375 -1.168 20 0 CAADMP CCN(C)C[C@@H](O)C[N@@H+]1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1 ZINC000879535189 582267579 /nfs/dbraw/zinc/26/75/79/582267579.db2.gz IUFGGAWBZWYQGK-MXWKQRLJSA-N 2 1 269.345 -1.154 20 0 CAADMP CCN(C)C[C@@H](O)C[N@H+]1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1 ZINC000879535189 582267580 /nfs/dbraw/zinc/26/75/80/582267580.db2.gz IUFGGAWBZWYQGK-MXWKQRLJSA-N 2 1 269.345 -1.154 20 0 CAADMP CC[N@H+](C)C[C@@H](O)C[NH+]1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1 ZINC000879535189 582267581 /nfs/dbraw/zinc/26/75/81/582267581.db2.gz IUFGGAWBZWYQGK-MXWKQRLJSA-N 2 1 269.345 -1.154 20 0 CAADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1 ZINC000879535189 582267582 /nfs/dbraw/zinc/26/75/82/582267582.db2.gz IUFGGAWBZWYQGK-MXWKQRLJSA-N 2 1 269.345 -1.154 20 0 CAADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1 ZINC000879535189 582267583 /nfs/dbraw/zinc/26/75/83/582267583.db2.gz IUFGGAWBZWYQGK-MXWKQRLJSA-N 2 1 269.345 -1.154 20 0 CAADMP CC[NH+](C)C[C@@H](O)C[N@H+]1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1 ZINC000879535189 582267584 /nfs/dbraw/zinc/26/75/84/582267584.db2.gz IUFGGAWBZWYQGK-MXWKQRLJSA-N 2 1 269.345 -1.154 20 0 CAADMP COC(=O)[C@@]1(O)CC[N@H+](CCC(=O)N2CC[NH+](C)CC2)C1 ZINC000880567294 582270010 /nfs/dbraw/zinc/27/00/10/582270010.db2.gz YNRPSTAJCQTMAH-CQSZACIVSA-N 2 1 299.371 -1.240 20 0 CAADMP COC(=O)[C@@]1(O)CC[N@@H+](CCC(=O)N2CC[NH+](C)CC2)C1 ZINC000880567294 582270011 /nfs/dbraw/zinc/27/00/11/582270011.db2.gz YNRPSTAJCQTMAH-CQSZACIVSA-N 2 1 299.371 -1.240 20 0 CAADMP CO[C@@H](C[NH3+])C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000884207951 582273904 /nfs/dbraw/zinc/27/39/04/582273904.db2.gz LBURPIIUMLWYOC-AXFHLTTASA-N 2 1 257.334 -1.061 20 0 CAADMP COCC[N@@H+](C)CCNC(=O)C(=O)N1CCC[C@@H]1C[NH3+] ZINC000884563069 582275469 /nfs/dbraw/zinc/27/54/69/582275469.db2.gz VAKFMKMVGRSXEK-LLVKDONJSA-N 2 1 286.376 -1.370 20 0 CAADMP COCCC[N@@H+](C)CCNC(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000884588154 582275481 /nfs/dbraw/zinc/27/54/81/582275481.db2.gz ZXEYVCVXEFNGBF-RYUDHWBXSA-N 2 1 298.387 -1.356 20 0 CAADMP C[C@H](NC(=O)C(=O)N1C[C@H]([NH3+])C[C@@H]1C)[C@H]1C[N@H+](C)CCO1 ZINC000884571712 582275487 /nfs/dbraw/zinc/27/54/87/582275487.db2.gz WHTCHIMEGHBWMI-NNYUYHANSA-N 2 1 298.387 -1.230 20 0 CAADMP C[C@H](NC(=O)C(=O)N1C[C@H]([NH3+])C[C@@H]1C)[C@H]1C[N@@H+](C)CCO1 ZINC000884571712 582275489 /nfs/dbraw/zinc/27/54/89/582275489.db2.gz WHTCHIMEGHBWMI-NNYUYHANSA-N 2 1 298.387 -1.230 20 0 CAADMP C[C@@H](NC(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)[C@@H]1C[N@H+](C)CCO1 ZINC000884570984 582275533 /nfs/dbraw/zinc/27/55/33/582275533.db2.gz DQKBWNYACJZLOX-RHYQMDGZSA-N 2 1 296.371 -1.606 20 0 CAADMP C[C@@H](NC(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)[C@@H]1C[N@@H+](C)CCO1 ZINC000884570984 582275534 /nfs/dbraw/zinc/27/55/34/582275534.db2.gz DQKBWNYACJZLOX-RHYQMDGZSA-N 2 1 296.371 -1.606 20 0 CAADMP C[C@H](NC(=O)C(=O)N1CCC[C@@H]1C[NH3+])[C@@H]1C[N@H+](C)CCO1 ZINC000884571444 582275549 /nfs/dbraw/zinc/27/55/49/582275549.db2.gz PONCXWIICTYDMU-TUAOUCFPSA-N 2 1 298.387 -1.229 20 0 CAADMP C[C@H](NC(=O)C(=O)N1CCC[C@@H]1C[NH3+])[C@@H]1C[N@@H+](C)CCO1 ZINC000884571444 582275551 /nfs/dbraw/zinc/27/55/51/582275551.db2.gz PONCXWIICTYDMU-TUAOUCFPSA-N 2 1 298.387 -1.229 20 0 CAADMP C[C@H](NC(=O)C(=O)N1CCC[C@@H]1C[NH3+])[C@H]1C[N@H+](C)CCO1 ZINC000884571443 582275555 /nfs/dbraw/zinc/27/55/55/582275555.db2.gz PONCXWIICTYDMU-QJPTWQEYSA-N 2 1 298.387 -1.229 20 0 CAADMP C[C@H](NC(=O)C(=O)N1CCC[C@@H]1C[NH3+])[C@H]1C[N@@H+](C)CCO1 ZINC000884571443 582275557 /nfs/dbraw/zinc/27/55/57/582275557.db2.gz PONCXWIICTYDMU-QJPTWQEYSA-N 2 1 298.387 -1.229 20 0 CAADMP O=C(NCCC[NH+]1CCOCC1)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000884652127 582275767 /nfs/dbraw/zinc/27/57/67/582275767.db2.gz KPEDGQGTAJBCMR-RYUDHWBXSA-N 2 1 296.371 -1.602 20 0 CAADMP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)NCCC[NH+]1CCOCC1 ZINC000884652268 582275797 /nfs/dbraw/zinc/27/57/97/582275797.db2.gz OERLNBMBBKETPB-VXGBXAGGSA-N 2 1 298.387 -1.227 20 0 CAADMP C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)NCC[NH3+])CC[C@@H]21 ZINC000884673413 582275852 /nfs/dbraw/zinc/27/58/52/582275852.db2.gz WFSQRFLCVZLXIW-ZJUUUORDSA-N 2 1 254.334 -1.386 20 0 CAADMP C[NH2+]CCNC(=O)C(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000884686513 582276099 /nfs/dbraw/zinc/27/60/99/582276099.db2.gz MKJBYYWLOJXQPI-WDEREUQCSA-N 2 1 268.361 -1.125 20 0 CAADMP C[N@@H+]1CCN(C(=O)C(=O)NCC2C[NH2+]C2)CC1(C)C ZINC000884693619 582276429 /nfs/dbraw/zinc/27/64/29/582276429.db2.gz HEDBYHBZCLQESU-UHFFFAOYSA-N 2 1 268.361 -1.125 20 0 CAADMP C[N@H+]1CCN(C(=O)C(=O)NCC2C[NH2+]C2)CC1(C)C ZINC000884693619 582276430 /nfs/dbraw/zinc/27/64/30/582276430.db2.gz HEDBYHBZCLQESU-UHFFFAOYSA-N 2 1 268.361 -1.125 20 0 CAADMP CC(C)([NH3+])CCNC(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000885195265 582277101 /nfs/dbraw/zinc/27/71/01/582277101.db2.gz JIMGJYMHLUCUKP-WDEREUQCSA-N 2 1 298.387 -1.493 20 0 CAADMP CC[N@@H+]1CCO[C@@H](C(=O)N2CC[C@@H]([NH2+]CC(N)=O)C2)C1 ZINC000970765179 615169626 /nfs/dbraw/zinc/16/96/26/615169626.db2.gz HCDDDJPIDNQPCP-GHMZBOCLSA-N 2 1 284.360 -1.617 20 0 CAADMP CC[N@H+]1CCO[C@@H](C(=O)N2CC[C@@H]([NH2+]CC(N)=O)C2)C1 ZINC000970765179 615169627 /nfs/dbraw/zinc/16/96/27/615169627.db2.gz HCDDDJPIDNQPCP-GHMZBOCLSA-N 2 1 284.360 -1.617 20 0 CAADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2[C@H]3C[NH+](CCO)C[C@H]32)C1 ZINC000962660178 615171909 /nfs/dbraw/zinc/17/19/09/615171909.db2.gz CFYGATFHFQDIOE-XQHKEYJVSA-N 2 1 283.372 -1.254 20 0 CAADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2[C@H]3C[NH+](CCO)C[C@H]32)C1 ZINC000962660178 615171910 /nfs/dbraw/zinc/17/19/10/615171910.db2.gz CFYGATFHFQDIOE-XQHKEYJVSA-N 2 1 283.372 -1.254 20 0 CAADMP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2[C@H]3C[N@H+](CCO)C[C@H]32)C1 ZINC000962660178 615171911 /nfs/dbraw/zinc/17/19/11/615171911.db2.gz CFYGATFHFQDIOE-XQHKEYJVSA-N 2 1 283.372 -1.254 20 0 CAADMP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](CCO)C[C@H]32)C1 ZINC000962660178 615171913 /nfs/dbraw/zinc/17/19/13/615171913.db2.gz CFYGATFHFQDIOE-XQHKEYJVSA-N 2 1 283.372 -1.254 20 0 CAADMP C[NH+]1CCC(C(=O)NC[C@H]2C[N@H+](CC(N)=O)C[C@H]2O)CC1 ZINC000958376043 616166993 /nfs/dbraw/zinc/16/69/93/616166993.db2.gz YSNFCWUZVSKGAA-NWDGAFQWSA-N 2 1 298.387 -1.778 20 0 CAADMP C[NH+]1CCC(C(=O)NC[C@H]2C[N@@H+](CC(N)=O)C[C@H]2O)CC1 ZINC000958376043 616166994 /nfs/dbraw/zinc/16/69/94/616166994.db2.gz YSNFCWUZVSKGAA-NWDGAFQWSA-N 2 1 298.387 -1.778 20 0 CAADMP C[NH+]1CCC(C(=O)NC[C@@H]2C[N@H+](CC(N)=O)C[C@@H]2O)CC1 ZINC000958376042 616167078 /nfs/dbraw/zinc/16/70/78/616167078.db2.gz YSNFCWUZVSKGAA-NEPJUHHUSA-N 2 1 298.387 -1.778 20 0 CAADMP C[NH+]1CCC(C(=O)NC[C@@H]2C[N@@H+](CC(N)=O)C[C@@H]2O)CC1 ZINC000958376042 616167079 /nfs/dbraw/zinc/16/70/79/616167079.db2.gz YSNFCWUZVSKGAA-NEPJUHHUSA-N 2 1 298.387 -1.778 20 0 CAADMP C[NH+]1CCC(C(=O)NC[C@H]2C[N@H+](CC(N)=O)C[C@@H]2O)CC1 ZINC000958376044 616167087 /nfs/dbraw/zinc/16/70/87/616167087.db2.gz YSNFCWUZVSKGAA-RYUDHWBXSA-N 2 1 298.387 -1.778 20 0 CAADMP C[NH+]1CCC(C(=O)NC[C@H]2C[N@@H+](CC(N)=O)C[C@@H]2O)CC1 ZINC000958376044 616167088 /nfs/dbraw/zinc/16/70/88/616167088.db2.gz YSNFCWUZVSKGAA-RYUDHWBXSA-N 2 1 298.387 -1.778 20 0 CAADMP C[NH+]1CCC(C(=O)NC[C@@H]2C[N@@H+](CCO)C[C@H]2O)CC1 ZINC000958375786 616167173 /nfs/dbraw/zinc/16/71/73/616167173.db2.gz WCFMDILIOXPMIS-CHWSQXEVSA-N 2 1 285.388 -1.271 20 0 CAADMP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C2C[NH+](CCO)C2)CC1 ZINC000941344147 616191987 /nfs/dbraw/zinc/19/19/87/616191987.db2.gz DGEJFLAVDDBKBG-CQSZACIVSA-N 2 1 296.415 -1.099 20 0 CAADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C2C[NH+](CCO)C2)CC1 ZINC000941344147 616191988 /nfs/dbraw/zinc/19/19/88/616191988.db2.gz DGEJFLAVDDBKBG-CQSZACIVSA-N 2 1 296.415 -1.099 20 0 CAADMP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C2C[NH+](CCO)C2)CC1 ZINC000941344146 616209636 /nfs/dbraw/zinc/20/96/36/616209636.db2.gz DGEJFLAVDDBKBG-AWEZNQCLSA-N 2 1 296.415 -1.099 20 0 CAADMP C[N@H+]1CCC[C@H]1C(=O)N1CCN(C2C[NH+](CCO)C2)CC1 ZINC000941344146 616209637 /nfs/dbraw/zinc/20/96/37/616209637.db2.gz DGEJFLAVDDBKBG-AWEZNQCLSA-N 2 1 296.415 -1.099 20 0 CAADMP C[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[NH+](CC(N)=O)C[C@H]21 ZINC000977918605 616211575 /nfs/dbraw/zinc/21/15/75/616211575.db2.gz JGZXUWJYCRUNLQ-YFKTTZPYSA-N 2 1 280.372 -1.140 20 0 CAADMP C[NH+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@@H+](CC(N)=O)C[C@H]21 ZINC000977918605 616211576 /nfs/dbraw/zinc/21/15/76/616211576.db2.gz JGZXUWJYCRUNLQ-YFKTTZPYSA-N 2 1 280.372 -1.140 20 0 CAADMP C[NH+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@H+](CC(N)=O)C[C@H]21 ZINC000977918605 616211577 /nfs/dbraw/zinc/21/15/77/616211577.db2.gz JGZXUWJYCRUNLQ-YFKTTZPYSA-N 2 1 280.372 -1.140 20 0 CAADMP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+](CC(N)=O)C[C@H]21 ZINC000958414995 616212745 /nfs/dbraw/zinc/21/27/45/616212745.db2.gz NNVYKZKKYFLCGN-MIZYBKAJSA-N 2 1 266.345 -1.388 20 0 CAADMP C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+](CC(N)=O)C[C@H]21 ZINC000958414995 616212746 /nfs/dbraw/zinc/21/27/46/616212746.db2.gz NNVYKZKKYFLCGN-MIZYBKAJSA-N 2 1 266.345 -1.388 20 0 CAADMP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CC(N)=O)C[C@H]21 ZINC000958414995 616212747 /nfs/dbraw/zinc/21/27/47/616212747.db2.gz NNVYKZKKYFLCGN-MIZYBKAJSA-N 2 1 266.345 -1.388 20 0 CAADMP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(N)=O)C[C@H]21 ZINC000958414995 616212748 /nfs/dbraw/zinc/21/27/48/616212748.db2.gz NNVYKZKKYFLCGN-MIZYBKAJSA-N 2 1 266.345 -1.388 20 0 CAADMP C[N@H+](CCO)[C@@H]1CCN(C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC000971266230 616251448 /nfs/dbraw/zinc/25/14/48/616251448.db2.gz GYLOQWBDEVOQRT-VXGBXAGGSA-N 2 1 271.361 -1.158 20 0 CAADMP C[N@@H+](CCO)[C@@H]1CCN(C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC000971266230 616251449 /nfs/dbraw/zinc/25/14/49/616251449.db2.gz GYLOQWBDEVOQRT-VXGBXAGGSA-N 2 1 271.361 -1.158 20 0 CAADMP C[NH+](CCO)[C@@H]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC000971266230 616251450 /nfs/dbraw/zinc/25/14/50/616251450.db2.gz GYLOQWBDEVOQRT-VXGBXAGGSA-N 2 1 271.361 -1.158 20 0 CAADMP C[NH+](CCO)[C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000971266230 616251451 /nfs/dbraw/zinc/25/14/51/616251451.db2.gz GYLOQWBDEVOQRT-VXGBXAGGSA-N 2 1 271.361 -1.158 20 0 CAADMP C[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2[C@H]3C[NH+](CCO)C[C@H]32)C1 ZINC000977951641 616252563 /nfs/dbraw/zinc/25/25/63/616252563.db2.gz GNSZZXRPFLUZKR-FVCCEPFGSA-N 2 1 283.372 -1.397 20 0 CAADMP C[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2[C@H]3C[NH+](CCO)C[C@H]32)C1 ZINC000977951641 616252564 /nfs/dbraw/zinc/25/25/64/616252564.db2.gz GNSZZXRPFLUZKR-FVCCEPFGSA-N 2 1 283.372 -1.397 20 0 CAADMP C[NH+]1CCO[C@@H](C(=O)NC[C@@H]2[C@H]3C[N@@H+](CCO)C[C@H]32)C1 ZINC000977951641 616252565 /nfs/dbraw/zinc/25/25/65/616252565.db2.gz GNSZZXRPFLUZKR-FVCCEPFGSA-N 2 1 283.372 -1.397 20 0 CAADMP C[NH+]1CCO[C@@H](C(=O)NC[C@@H]2[C@H]3C[N@H+](CCO)C[C@H]32)C1 ZINC000977951641 616252566 /nfs/dbraw/zinc/25/25/66/616252566.db2.gz GNSZZXRPFLUZKR-FVCCEPFGSA-N 2 1 283.372 -1.397 20 0 CAADMP C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2[C@H]3C[NH+](CCCO)C[C@H]32)C1 ZINC000958473536 616253326 /nfs/dbraw/zinc/25/33/26/616253326.db2.gz BKHVPMWYXPUCQS-XQHKEYJVSA-N 2 1 283.372 -1.254 20 0 CAADMP C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2[C@H]3C[NH+](CCCO)C[C@H]32)C1 ZINC000958473536 616253327 /nfs/dbraw/zinc/25/33/27/616253327.db2.gz BKHVPMWYXPUCQS-XQHKEYJVSA-N 2 1 283.372 -1.254 20 0 CAADMP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2[C@H]3C[N@H+](CCCO)C[C@H]32)C1 ZINC000958473536 616253328 /nfs/dbraw/zinc/25/33/28/616253328.db2.gz BKHVPMWYXPUCQS-XQHKEYJVSA-N 2 1 283.372 -1.254 20 0 CAADMP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](CCCO)C[C@H]32)C1 ZINC000958473536 616253329 /nfs/dbraw/zinc/25/33/29/616253329.db2.gz BKHVPMWYXPUCQS-XQHKEYJVSA-N 2 1 283.372 -1.254 20 0 CAADMP C[N@@H+]1CCO[C@H](C(=O)N2CC[C@@H]([NH2+]CCO)C2)C1 ZINC000968304510 616258136 /nfs/dbraw/zinc/25/81/36/616258136.db2.gz WUKUAQCNKVFMIW-MNOVXSKESA-N 2 1 257.334 -1.500 20 0 CAADMP C[N@H+]1CCO[C@H](C(=O)N2CC[C@@H]([NH2+]CCO)C2)C1 ZINC000968304510 616258137 /nfs/dbraw/zinc/25/81/37/616258137.db2.gz WUKUAQCNKVFMIW-MNOVXSKESA-N 2 1 257.334 -1.500 20 0 CAADMP C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2[C@H]3C[NH+](CCO)C[C@H]32)C1 ZINC000958474351 616260427 /nfs/dbraw/zinc/26/04/27/616260427.db2.gz KFQBZPCFMDWLTP-WHOHXGKFSA-N 2 1 269.345 -1.644 20 0 CAADMP C[N@H+]1CCO[C@H](C(=O)N[C@@H]2[C@H]3C[NH+](CCO)C[C@H]32)C1 ZINC000958474351 616260428 /nfs/dbraw/zinc/26/04/28/616260428.db2.gz KFQBZPCFMDWLTP-WHOHXGKFSA-N 2 1 269.345 -1.644 20 0 CAADMP C[NH+]1CCO[C@H](C(=O)N[C@@H]2[C@H]3C[N@H+](CCO)C[C@H]32)C1 ZINC000958474351 616260429 /nfs/dbraw/zinc/26/04/29/616260429.db2.gz KFQBZPCFMDWLTP-WHOHXGKFSA-N 2 1 269.345 -1.644 20 0 CAADMP C[NH+]1CCO[C@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](CCO)C[C@H]32)C1 ZINC000958474351 616260430 /nfs/dbraw/zinc/26/04/30/616260430.db2.gz KFQBZPCFMDWLTP-WHOHXGKFSA-N 2 1 269.345 -1.644 20 0 CAADMP C[N@@H+]1CC[C@@H](C(=O)N2CCN(C3C[NH+](CCO)C3)CC2)C1 ZINC000941666451 616264723 /nfs/dbraw/zinc/26/47/23/616264723.db2.gz ZVQWGDIPUVPLHB-CYBMUJFWSA-N 2 1 296.415 -1.241 20 0 CAADMP C[N@H+]1CC[C@@H](C(=O)N2CCN(C3C[NH+](CCO)C3)CC2)C1 ZINC000941666451 616264724 /nfs/dbraw/zinc/26/47/24/616264724.db2.gz ZVQWGDIPUVPLHB-CYBMUJFWSA-N 2 1 296.415 -1.241 20 0 CAADMP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2[C@H]3C[NH+](CCO)C[C@H]32)C1 ZINC000962585033 616267783 /nfs/dbraw/zinc/26/77/83/616267783.db2.gz FDVDOPROZNXUEA-WYUUTHIRSA-N 2 1 253.346 -1.023 20 0 CAADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2[C@H]3C[N@H+](CCO)C[C@H]32)C1 ZINC000962585033 616267784 /nfs/dbraw/zinc/26/77/84/616267784.db2.gz FDVDOPROZNXUEA-WYUUTHIRSA-N 2 1 253.346 -1.023 20 0 CAADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](CCO)C[C@H]32)C1 ZINC000962585033 616267785 /nfs/dbraw/zinc/26/77/85/616267785.db2.gz FDVDOPROZNXUEA-WYUUTHIRSA-N 2 1 253.346 -1.023 20 0 CAADMP C[N@H+]1CC[C@H](C(=O)N2CC[C@@H]([NH2+]CC(N)=O)C2)C1 ZINC000970713499 616363508 /nfs/dbraw/zinc/36/35/08/616363508.db2.gz ZBISBSSVBYUPKD-VHSXEESVSA-N 2 1 254.334 -1.386 20 0 CAADMP C[N@H+]1CC[C@H](C(=O)N[C@@H]2[C@H]3CN(CC(N)=O)C[C@H]32)C1 ZINC000962551226 616380547 /nfs/dbraw/zinc/38/05/47/616380547.db2.gz HRCNGYUNKIPSCY-UXCLJVHYSA-N 2 1 266.345 -1.530 20 0 CAADMP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2[C@H]3C[NH+](CC(N)=O)C[C@H]32)C1 ZINC000962551226 616380551 /nfs/dbraw/zinc/38/05/51/616380551.db2.gz HRCNGYUNKIPSCY-UXCLJVHYSA-N 2 1 266.345 -1.530 20 0 CAADMP C[N@H+]1CC[C@H](C(=O)N[C@@H]2[C@H]3C[NH+](CC(N)=O)C[C@H]32)C1 ZINC000962551226 616380558 /nfs/dbraw/zinc/38/05/58/616380558.db2.gz HRCNGYUNKIPSCY-UXCLJVHYSA-N 2 1 266.345 -1.530 20 0 CAADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2[C@H]3C[N@H+](CC(N)=O)C[C@H]32)C1 ZINC000962551226 616380563 /nfs/dbraw/zinc/38/05/63/616380563.db2.gz HRCNGYUNKIPSCY-UXCLJVHYSA-N 2 1 266.345 -1.530 20 0 CAADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(N)=O)C[C@H]32)C1 ZINC000962551226 616380568 /nfs/dbraw/zinc/38/05/68/616380568.db2.gz HRCNGYUNKIPSCY-UXCLJVHYSA-N 2 1 266.345 -1.530 20 0 CAADMP CNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[NH+](C)C1 ZINC000962551209 616643859 /nfs/dbraw/zinc/64/38/59/616643859.db2.gz HLMDKNUXWGHFQW-DCQANWLSSA-N 2 1 280.372 -1.270 20 0 CAADMP CNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[NH+](C)C1 ZINC000962551209 616643860 /nfs/dbraw/zinc/64/38/60/616643860.db2.gz HLMDKNUXWGHFQW-DCQANWLSSA-N 2 1 280.372 -1.270 20 0 CAADMP CNC(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC000962551209 616643861 /nfs/dbraw/zinc/64/38/61/616643861.db2.gz HLMDKNUXWGHFQW-DCQANWLSSA-N 2 1 280.372 -1.270 20 0 CAADMP CNC(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000962551209 616643863 /nfs/dbraw/zinc/64/38/63/616643863.db2.gz HLMDKNUXWGHFQW-DCQANWLSSA-N 2 1 280.372 -1.270 20 0 CAADMP C[C@@H]1C[N@@H+](CCOCC[NH3+])C[C@H]1CS(N)(=O)=O ZINC000903826938 656186972 /nfs/dbraw/zinc/18/69/72/656186972.db2.gz OINACCKLOXYYTQ-ZJUUUORDSA-N 2 1 265.379 -1.182 20 0 CAADMP CC[C@H](C(=O)NC[C@@]1(CO)COCC[NH2+]1)[NH+](C)C ZINC000913187485 656277945 /nfs/dbraw/zinc/27/79/45/656277945.db2.gz ZNAWMBYJTCZASA-ZYHUDNBSSA-N 2 1 259.350 -1.206 20 0 CAADMP COCCOC[C@@H](O)C[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000234679748 655997403 /nfs/dbraw/zinc/99/74/03/655997403.db2.gz RJZYBMNRDGUYBD-ZDUSSCGKSA-N 2 1 275.393 -1.153 20 0 CAADMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC(N)=O)C1 ZINC001020592881 656005498 /nfs/dbraw/zinc/00/54/98/656005498.db2.gz QYHWEIDRXYDZRG-XWLWVQCSSA-N 2 1 268.361 -1.094 20 0 CAADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC(N)=O)C1 ZINC001020592879 656005698 /nfs/dbraw/zinc/00/56/98/656005698.db2.gz QYHWEIDRXYDZRG-GWOFURMSSA-N 2 1 268.361 -1.094 20 0 CAADMP C[N@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]CC(N)=O)C2)C1 ZINC001021047558 656009964 /nfs/dbraw/zinc/00/99/64/656009964.db2.gz HSLUGFSWYJQISJ-OPRDCNLKSA-N 2 1 254.334 -1.340 20 0 CAADMP Cn1nnnc1C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001021047685 656010438 /nfs/dbraw/zinc/01/04/38/656010438.db2.gz LGINEXGTRLJGDD-GMTAPVOTSA-N 2 1 293.375 -1.101 20 0 CAADMP Cn1nnnc1C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001021047685 656010444 /nfs/dbraw/zinc/01/04/44/656010444.db2.gz LGINEXGTRLJGDD-GMTAPVOTSA-N 2 1 293.375 -1.101 20 0 CAADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H]([NH2+][C@@H](C)C(N)=O)C2)C1 ZINC001021074633 656012795 /nfs/dbraw/zinc/01/27/95/656012795.db2.gz VCLBPHFXFICVHE-BJDJZHNGSA-N 2 1 298.387 -1.182 20 0 CAADMP CC[N@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H]([NH2+][C@@H](C)C(N)=O)C2)C1 ZINC001021074633 656012798 /nfs/dbraw/zinc/01/27/98/656012798.db2.gz VCLBPHFXFICVHE-BJDJZHNGSA-N 2 1 298.387 -1.182 20 0 CAADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]CC(N)=O)C2)C1 ZINC001021079865 656012968 /nfs/dbraw/zinc/01/29/68/656012968.db2.gz FPMVLVMYTVCMMN-GMTAPVOTSA-N 2 1 284.360 -1.571 20 0 CAADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]CC(N)=O)C2)C1 ZINC001021079865 656012971 /nfs/dbraw/zinc/01/29/71/656012971.db2.gz FPMVLVMYTVCMMN-GMTAPVOTSA-N 2 1 284.360 -1.571 20 0 CAADMP NC(=O)C[NH2+][C@@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC000970270415 656013234 /nfs/dbraw/zinc/01/32/34/656013234.db2.gz LXADFVVFOCBFFP-LLVKDONJSA-N 2 1 284.360 -1.616 20 0 CAADMP O=C(CC[NH+]1CCOCC1)N1CC[C@@H]([NH2+]CCO)C1 ZINC000970261477 656013599 /nfs/dbraw/zinc/01/35/99/656013599.db2.gz GMIQIIUYHULAAM-GFCCVEGCSA-N 2 1 271.361 -1.109 20 0 CAADMP CC[C@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1)C(N)=O ZINC001021927155 656024394 /nfs/dbraw/zinc/02/43/94/656024394.db2.gz BUTGAHIWCYNWOR-WHOHXGKFSA-N 2 1 298.387 -1.182 20 0 CAADMP CC[C@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1)C(N)=O ZINC001021927155 656024398 /nfs/dbraw/zinc/02/43/98/656024398.db2.gz BUTGAHIWCYNWOR-WHOHXGKFSA-N 2 1 298.387 -1.182 20 0 CAADMP C[C@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1)C(N)=O ZINC001021927092 656024573 /nfs/dbraw/zinc/02/45/73/656024573.db2.gz BLZIJIZJLVIGGV-MMWGEVLESA-N 2 1 284.360 -1.572 20 0 CAADMP C[C@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1)C(N)=O ZINC001021927092 656024575 /nfs/dbraw/zinc/02/45/75/656024575.db2.gz BLZIJIZJLVIGGV-MMWGEVLESA-N 2 1 284.360 -1.572 20 0 CAADMP C[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1)C(N)=O ZINC001021927086 656024649 /nfs/dbraw/zinc/02/46/49/656024649.db2.gz BLZIJIZJLVIGGV-CHWFTXMASA-N 2 1 284.360 -1.572 20 0 CAADMP C[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1)C(N)=O ZINC001021927086 656024651 /nfs/dbraw/zinc/02/46/51/656024651.db2.gz BLZIJIZJLVIGGV-CHWFTXMASA-N 2 1 284.360 -1.572 20 0 CAADMP C[N@@H+]1CCO[C@H](C(=O)N[C@H]2C[C@@H]([NH2+][C@H]3CCNC3=O)C2)C1 ZINC001021928796 656024736 /nfs/dbraw/zinc/02/47/36/656024736.db2.gz UAYMAKZNKZVQHB-USZNOCQGSA-N 2 1 296.371 -1.558 20 0 CAADMP C[N@H+]1CCO[C@H](C(=O)N[C@H]2C[C@@H]([NH2+][C@H]3CCNC3=O)C2)C1 ZINC001021928796 656024739 /nfs/dbraw/zinc/02/47/39/656024739.db2.gz UAYMAKZNKZVQHB-USZNOCQGSA-N 2 1 296.371 -1.558 20 0 CAADMP NC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC001022119827 656026430 /nfs/dbraw/zinc/02/64/30/656026430.db2.gz JBYKFMOWFBZSJJ-WHOHXGKFSA-N 2 1 296.371 -1.428 20 0 CAADMP NC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC001022119828 656026565 /nfs/dbraw/zinc/02/65/65/656026565.db2.gz JBYKFMOWFBZSJJ-WRWGMCAJSA-N 2 1 296.371 -1.428 20 0 CAADMP NC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC001022119826 656026596 /nfs/dbraw/zinc/02/65/96/656026596.db2.gz JBYKFMOWFBZSJJ-USZNOCQGSA-N 2 1 296.371 -1.428 20 0 CAADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]CCO)C2)O1 ZINC001022275089 656027624 /nfs/dbraw/zinc/02/76/24/656027624.db2.gz HQEODNDAYHHRHY-WISYIIOYSA-N 2 1 271.361 -1.065 20 0 CAADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]CCO)C2)O1 ZINC001022275089 656027625 /nfs/dbraw/zinc/02/76/25/656027625.db2.gz HQEODNDAYHHRHY-WISYIIOYSA-N 2 1 271.361 -1.065 20 0 CAADMP C[C@@H]1CN(C(=O)C(=O)NC[C@H]2C[C@H](O)C[N@H+]2C)C[C@H]1[NH3+] ZINC000926423738 656035159 /nfs/dbraw/zinc/03/51/59/656035159.db2.gz SMHNBYTWMPDYRC-CHWFTXMASA-N 2 1 284.360 -2.027 20 0 CAADMP C[C@@H]1CN(C(=O)C(=O)NC[C@H]2C[C@@H](O)C[N@H+]2C)C[C@H]1[NH3+] ZINC000926423742 656035175 /nfs/dbraw/zinc/03/51/75/656035175.db2.gz SMHNBYTWMPDYRC-GWOFURMSSA-N 2 1 284.360 -2.027 20 0 CAADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@H]2C[C@@H]([NH2+][C@@H](C)C(N)=O)C2)C1 ZINC001023110257 656042887 /nfs/dbraw/zinc/04/28/87/656042887.db2.gz VCLBPHFXFICVHE-YFKTTZPYSA-N 2 1 298.387 -1.182 20 0 CAADMP CC[N@H+]1CCO[C@H](C(=O)N[C@H]2C[C@@H]([NH2+][C@@H](C)C(N)=O)C2)C1 ZINC001023110257 656042889 /nfs/dbraw/zinc/04/28/89/656042889.db2.gz VCLBPHFXFICVHE-YFKTTZPYSA-N 2 1 298.387 -1.182 20 0 CAADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]CC(N)=O)C2)C1 ZINC001023115281 656043227 /nfs/dbraw/zinc/04/32/27/656043227.db2.gz FPMVLVMYTVCMMN-OUAUKWLOSA-N 2 1 284.360 -1.571 20 0 CAADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]CC(N)=O)C2)C1 ZINC001023115281 656043231 /nfs/dbraw/zinc/04/32/31/656043231.db2.gz FPMVLVMYTVCMMN-OUAUKWLOSA-N 2 1 284.360 -1.571 20 0 CAADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]CC(N)=O)C2)C1 ZINC001023115280 656043467 /nfs/dbraw/zinc/04/34/67/656043467.db2.gz FPMVLVMYTVCMMN-AXFHLTTASA-N 2 1 284.360 -1.571 20 0 CAADMP CC[N@H+]1CCO[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]CC(N)=O)C2)C1 ZINC001023115280 656043468 /nfs/dbraw/zinc/04/34/68/656043468.db2.gz FPMVLVMYTVCMMN-AXFHLTTASA-N 2 1 284.360 -1.571 20 0 CAADMP C[C@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+](C)CCO1 ZINC001025719376 656067341 /nfs/dbraw/zinc/06/73/41/656067341.db2.gz NUCKIXOBDDEWKY-KIJLLGNVSA-N 2 1 283.372 -1.256 20 0 CAADMP C[C@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+](C)CCO1 ZINC001025719376 656067342 /nfs/dbraw/zinc/06/73/42/656067342.db2.gz NUCKIXOBDDEWKY-KIJLLGNVSA-N 2 1 283.372 -1.256 20 0 CAADMP C[C@H](O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001025719376 656067343 /nfs/dbraw/zinc/06/73/43/656067343.db2.gz NUCKIXOBDDEWKY-KIJLLGNVSA-N 2 1 283.372 -1.256 20 0 CAADMP C[C@H](O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001025719376 656067345 /nfs/dbraw/zinc/06/73/45/656067345.db2.gz NUCKIXOBDDEWKY-KIJLLGNVSA-N 2 1 283.372 -1.256 20 0 CAADMP C[C@@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+](C)CCO1 ZINC001025719377 656067622 /nfs/dbraw/zinc/06/76/22/656067622.db2.gz NUCKIXOBDDEWKY-LBELIVKGSA-N 2 1 283.372 -1.256 20 0 CAADMP C[C@@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+](C)CCO1 ZINC001025719377 656067624 /nfs/dbraw/zinc/06/76/24/656067624.db2.gz NUCKIXOBDDEWKY-LBELIVKGSA-N 2 1 283.372 -1.256 20 0 CAADMP C[C@@H](O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001025719377 656067626 /nfs/dbraw/zinc/06/76/26/656067626.db2.gz NUCKIXOBDDEWKY-LBELIVKGSA-N 2 1 283.372 -1.256 20 0 CAADMP C[C@@H](O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001025719377 656067628 /nfs/dbraw/zinc/06/76/28/656067628.db2.gz NUCKIXOBDDEWKY-LBELIVKGSA-N 2 1 283.372 -1.256 20 0 CAADMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N[C@@H]1[C@H]2CN(CC(N)=O)C[C@H]21 ZINC001026045120 656071074 /nfs/dbraw/zinc/07/10/74/656071074.db2.gz WWXAUMLTABYLBF-HKLXJQGRSA-N 2 1 280.372 -1.284 20 0 CAADMP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N[C@@H]1[C@H]2C[NH+](CC(N)=O)C[C@H]21 ZINC001026045120 656071075 /nfs/dbraw/zinc/07/10/75/656071075.db2.gz WWXAUMLTABYLBF-HKLXJQGRSA-N 2 1 280.372 -1.284 20 0 CAADMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N[C@@H]1[C@H]2C[NH+](CC(N)=O)C[C@H]21 ZINC001026045120 656071077 /nfs/dbraw/zinc/07/10/77/656071077.db2.gz WWXAUMLTABYLBF-HKLXJQGRSA-N 2 1 280.372 -1.284 20 0 CAADMP C[C@H]1C[NH+](C)C[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CC(N)=O)C[C@H]21 ZINC001026045120 656071078 /nfs/dbraw/zinc/07/10/78/656071078.db2.gz WWXAUMLTABYLBF-HKLXJQGRSA-N 2 1 280.372 -1.284 20 0 CAADMP C[C@H]1C[NH+](C)C[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(N)=O)C[C@H]21 ZINC001026045120 656071080 /nfs/dbraw/zinc/07/10/80/656071080.db2.gz WWXAUMLTABYLBF-HKLXJQGRSA-N 2 1 280.372 -1.284 20 0 CAADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N[C@@H]1[C@H]2CN(CC(N)=O)C[C@H]21 ZINC001026045121 656071368 /nfs/dbraw/zinc/07/13/68/656071368.db2.gz WWXAUMLTABYLBF-OQEOFVATSA-N 2 1 280.372 -1.284 20 0 CAADMP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N[C@@H]1[C@H]2C[NH+](CC(N)=O)C[C@H]21 ZINC001026045121 656071370 /nfs/dbraw/zinc/07/13/70/656071370.db2.gz WWXAUMLTABYLBF-OQEOFVATSA-N 2 1 280.372 -1.284 20 0 CAADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N[C@@H]1[C@H]2C[NH+](CC(N)=O)C[C@H]21 ZINC001026045121 656071371 /nfs/dbraw/zinc/07/13/71/656071371.db2.gz WWXAUMLTABYLBF-OQEOFVATSA-N 2 1 280.372 -1.284 20 0 CAADMP C[C@@H]1C[NH+](C)C[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CC(N)=O)C[C@H]21 ZINC001026045121 656071372 /nfs/dbraw/zinc/07/13/72/656071372.db2.gz WWXAUMLTABYLBF-OQEOFVATSA-N 2 1 280.372 -1.284 20 0 CAADMP C[C@@H]1C[NH+](C)C[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(N)=O)C[C@H]21 ZINC001026045121 656071373 /nfs/dbraw/zinc/07/13/73/656071373.db2.gz WWXAUMLTABYLBF-OQEOFVATSA-N 2 1 280.372 -1.284 20 0 CAADMP C[C@@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001026145844 656071645 /nfs/dbraw/zinc/07/16/45/656071645.db2.gz OYJQTUUTUNROEW-RNWYCLNJSA-N 2 1 280.372 -1.142 20 0 CAADMP C[C@@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001026145844 656071649 /nfs/dbraw/zinc/07/16/49/656071649.db2.gz OYJQTUUTUNROEW-RNWYCLNJSA-N 2 1 280.372 -1.142 20 0 CAADMP C[C@@H](C(N)=O)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001026145844 656071651 /nfs/dbraw/zinc/07/16/51/656071651.db2.gz OYJQTUUTUNROEW-RNWYCLNJSA-N 2 1 280.372 -1.142 20 0 CAADMP C[C@@H](C(N)=O)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001026145844 656071655 /nfs/dbraw/zinc/07/16/55/656071655.db2.gz OYJQTUUTUNROEW-RNWYCLNJSA-N 2 1 280.372 -1.142 20 0 CAADMP C[N@H+]1CC[C@H](C(=O)N[C@@H]2[C@H]3C[NH+]([C@H]4CCNC4=O)C[C@H]32)C1 ZINC001026145926 656071857 /nfs/dbraw/zinc/07/18/57/656071857.db2.gz YEVDKETVKFFRSQ-IEECTRCBSA-N 2 1 292.383 -1.127 20 0 CAADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2[C@H]3C[N@@H+]([C@H]4CCNC4=O)C[C@H]32)C1 ZINC001026145926 656071860 /nfs/dbraw/zinc/07/18/60/656071860.db2.gz YEVDKETVKFFRSQ-IEECTRCBSA-N 2 1 292.383 -1.127 20 0 CAADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2[C@H]3C[N@H+]([C@H]4CCNC4=O)C[C@H]32)C1 ZINC001026145926 656071861 /nfs/dbraw/zinc/07/18/61/656071861.db2.gz YEVDKETVKFFRSQ-IEECTRCBSA-N 2 1 292.383 -1.127 20 0 CAADMP C[C@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001026145841 656072076 /nfs/dbraw/zinc/07/20/76/656072076.db2.gz OYJQTUUTUNROEW-JCIQBVFBSA-N 2 1 280.372 -1.142 20 0 CAADMP C[C@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001026145841 656072077 /nfs/dbraw/zinc/07/20/77/656072077.db2.gz OYJQTUUTUNROEW-JCIQBVFBSA-N 2 1 280.372 -1.142 20 0 CAADMP C[C@H](C(N)=O)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001026145841 656072078 /nfs/dbraw/zinc/07/20/78/656072078.db2.gz OYJQTUUTUNROEW-JCIQBVFBSA-N 2 1 280.372 -1.142 20 0 CAADMP C[C@H](C(N)=O)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001026145841 656072079 /nfs/dbraw/zinc/07/20/79/656072079.db2.gz OYJQTUUTUNROEW-JCIQBVFBSA-N 2 1 280.372 -1.142 20 0 CAADMP [NH3+]CCOCC(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000093232420 656081827 /nfs/dbraw/zinc/08/18/27/656081827.db2.gz WCAVHKWWWGGBTQ-WDEREUQCSA-N 2 1 257.334 -1.059 20 0 CAADMP [NH3+]CCOCC(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000093232419 656081995 /nfs/dbraw/zinc/08/19/95/656081995.db2.gz WCAVHKWWWGGBTQ-GHMZBOCLSA-N 2 1 257.334 -1.059 20 0 CAADMP [NH3+]CCOCC(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000093232421 656082018 /nfs/dbraw/zinc/08/20/18/656082018.db2.gz WCAVHKWWWGGBTQ-MNOVXSKESA-N 2 1 257.334 -1.059 20 0 CAADMP NC(=O)[C@@H]1CCC[N@H+]1CCCN[C@@H]1C[NH2+]CCOC1 ZINC000925724208 656082269 /nfs/dbraw/zinc/08/22/69/656082269.db2.gz XFYMRZBYBPJWQT-NEPJUHHUSA-N 2 1 270.377 -1.096 20 0 CAADMP NC(=O)[C@@H]1CCC[N@H+]1CCCN[C@H]1C[NH2+]CCOC1 ZINC000925724209 656082572 /nfs/dbraw/zinc/08/25/72/656082572.db2.gz XFYMRZBYBPJWQT-RYUDHWBXSA-N 2 1 270.377 -1.096 20 0 CAADMP CN1CCO[C@H](C(=O)N2CCC[C@H]([N@H+](C)CC(N)=O)C2)C1 ZINC001027347575 656083222 /nfs/dbraw/zinc/08/32/22/656083222.db2.gz XGIVWOWHSKNMNL-RYUDHWBXSA-N 2 1 298.387 -1.275 20 0 CAADMP CN1CCO[C@H](C(=O)N2CCC[C@H]([N@@H+](C)CC(N)=O)C2)C1 ZINC001027347575 656083227 /nfs/dbraw/zinc/08/32/27/656083227.db2.gz XGIVWOWHSKNMNL-RYUDHWBXSA-N 2 1 298.387 -1.275 20 0 CAADMP C[N@@H+]1CCO[C@H](C(=O)NC[C@H]2CCC[NH+]2CCO)C1 ZINC001027806053 656095447 /nfs/dbraw/zinc/09/54/47/656095447.db2.gz CEEKOJVTANQCJW-NEPJUHHUSA-N 2 1 271.361 -1.110 20 0 CAADMP C[N@H+]1CCO[C@H](C(=O)NC[C@H]2CCC[NH+]2CCO)C1 ZINC001027806053 656095449 /nfs/dbraw/zinc/09/54/49/656095449.db2.gz CEEKOJVTANQCJW-NEPJUHHUSA-N 2 1 271.361 -1.110 20 0 CAADMP C[NH+]1CCO[C@H](C(=O)NC[C@H]2CCC[N@@H+]2CCO)C1 ZINC001027806053 656095452 /nfs/dbraw/zinc/09/54/52/656095452.db2.gz CEEKOJVTANQCJW-NEPJUHHUSA-N 2 1 271.361 -1.110 20 0 CAADMP C[NH+]1CCO[C@H](C(=O)NC[C@H]2CCC[N@H+]2CCO)C1 ZINC001027806053 656095454 /nfs/dbraw/zinc/09/54/54/656095454.db2.gz CEEKOJVTANQCJW-NEPJUHHUSA-N 2 1 271.361 -1.110 20 0 CAADMP C[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2CCC[NH+]2CCO)C1 ZINC001027806057 656095568 /nfs/dbraw/zinc/09/55/68/656095568.db2.gz CEEKOJVTANQCJW-VXGBXAGGSA-N 2 1 271.361 -1.110 20 0 CAADMP C[N@H+]1CCO[C@@H](C(=O)NC[C@H]2CCC[NH+]2CCO)C1 ZINC001027806057 656095569 /nfs/dbraw/zinc/09/55/69/656095569.db2.gz CEEKOJVTANQCJW-VXGBXAGGSA-N 2 1 271.361 -1.110 20 0 CAADMP C[NH+]1CCO[C@@H](C(=O)NC[C@H]2CCC[N@@H+]2CCO)C1 ZINC001027806057 656095570 /nfs/dbraw/zinc/09/55/70/656095570.db2.gz CEEKOJVTANQCJW-VXGBXAGGSA-N 2 1 271.361 -1.110 20 0 CAADMP C[NH+]1CCO[C@@H](C(=O)NC[C@H]2CCC[N@H+]2CCO)C1 ZINC001027806057 656095573 /nfs/dbraw/zinc/09/55/73/656095573.db2.gz CEEKOJVTANQCJW-VXGBXAGGSA-N 2 1 271.361 -1.110 20 0 CAADMP C[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2CCC[NH+]2CCO)C1 ZINC001027806056 656095864 /nfs/dbraw/zinc/09/58/64/656095864.db2.gz CEEKOJVTANQCJW-RYUDHWBXSA-N 2 1 271.361 -1.110 20 0 CAADMP C[N@H+]1CCO[C@H](C(=O)NC[C@@H]2CCC[NH+]2CCO)C1 ZINC001027806056 656095866 /nfs/dbraw/zinc/09/58/66/656095866.db2.gz CEEKOJVTANQCJW-RYUDHWBXSA-N 2 1 271.361 -1.110 20 0 CAADMP C[NH+]1CCO[C@H](C(=O)NC[C@@H]2CCC[N@@H+]2CCO)C1 ZINC001027806056 656095870 /nfs/dbraw/zinc/09/58/70/656095870.db2.gz CEEKOJVTANQCJW-RYUDHWBXSA-N 2 1 271.361 -1.110 20 0 CAADMP C[NH+]1CCO[C@H](C(=O)NC[C@@H]2CCC[N@H+]2CCO)C1 ZINC001027806056 656095872 /nfs/dbraw/zinc/09/58/72/656095872.db2.gz CEEKOJVTANQCJW-RYUDHWBXSA-N 2 1 271.361 -1.110 20 0 CAADMP CNC(=O)C[N@H+]1CC[C@H](CNC(=O)[C@H]2CN(C)CCO2)C1 ZINC001028461148 656114431 /nfs/dbraw/zinc/11/44/31/656114431.db2.gz KWPYXQHWMVWHBB-VXGBXAGGSA-N 2 1 298.387 -1.499 20 0 CAADMP CNC(=O)CN1CC[C@H](CNC(=O)[C@H]2CN(C)CCO2)C1 ZINC001028461148 656114433 /nfs/dbraw/zinc/11/44/33/656114433.db2.gz KWPYXQHWMVWHBB-VXGBXAGGSA-N 2 1 298.387 -1.499 20 0 CAADMP CN1CCO[C@H](C(=O)NC[C@H]2CC[N@@H+](CCO)C2)C1 ZINC001028461267 656114574 /nfs/dbraw/zinc/11/45/74/656114574.db2.gz NIMKHFINKWSWSJ-NEPJUHHUSA-N 2 1 271.361 -1.253 20 0 CAADMP C[N@@H+]1CCO[C@H](C(=O)NC[C@H]2CC[NH+](CCO)C2)C1 ZINC001028461267 656114575 /nfs/dbraw/zinc/11/45/75/656114575.db2.gz NIMKHFINKWSWSJ-NEPJUHHUSA-N 2 1 271.361 -1.253 20 0 CAADMP C[N@H+]1CCO[C@H](C(=O)NC[C@H]2CC[NH+](CCO)C2)C1 ZINC001028461267 656114576 /nfs/dbraw/zinc/11/45/76/656114576.db2.gz NIMKHFINKWSWSJ-NEPJUHHUSA-N 2 1 271.361 -1.253 20 0 CAADMP C[NH+]1CCO[C@H](C(=O)NC[C@H]2CC[N@H+](CCO)C2)C1 ZINC001028461267 656114579 /nfs/dbraw/zinc/11/45/79/656114579.db2.gz NIMKHFINKWSWSJ-NEPJUHHUSA-N 2 1 271.361 -1.253 20 0 CAADMP C[NH+]1CCO[C@H](C(=O)NC[C@H]2CC[N@@H+](CCO)C2)C1 ZINC001028461267 656114580 /nfs/dbraw/zinc/11/45/80/656114580.db2.gz NIMKHFINKWSWSJ-NEPJUHHUSA-N 2 1 271.361 -1.253 20 0 CAADMP CNC(=O)C[N@H+]1CC[C@@H](CNC(=O)[C@H]2CN(C)CCO2)C1 ZINC001028461146 656114695 /nfs/dbraw/zinc/11/46/95/656114695.db2.gz KWPYXQHWMVWHBB-NWDGAFQWSA-N 2 1 298.387 -1.499 20 0 CAADMP CNC(=O)CN1CC[C@@H](CNC(=O)[C@H]2CN(C)CCO2)C1 ZINC001028461146 656114697 /nfs/dbraw/zinc/11/46/97/656114697.db2.gz KWPYXQHWMVWHBB-NWDGAFQWSA-N 2 1 298.387 -1.499 20 0 CAADMP CN1CCO[C@@H](C(=O)NC[C@@H]2CC[N@@H+](CC(N)=O)C2)C1 ZINC001028466854 656114901 /nfs/dbraw/zinc/11/49/01/656114901.db2.gz SWFKMLSXRFETOA-WDEREUQCSA-N 2 1 284.360 -1.760 20 0 CAADMP CN1CCO[C@@H](C(=O)NC[C@@H]2CCN(CC(N)=O)C2)C1 ZINC001028466854 656114903 /nfs/dbraw/zinc/11/49/03/656114903.db2.gz SWFKMLSXRFETOA-WDEREUQCSA-N 2 1 284.360 -1.760 20 0 CAADMP CN1C[C@@H](O)C[C@]1(C)C(=O)NC[C@H]1C[C@@H](O)C[N@H+]1C ZINC000924973721 656121430 /nfs/dbraw/zinc/12/14/30/656121430.db2.gz FNXFFUXASMJQNT-HNCHTBHHSA-N 2 1 271.361 -1.377 20 0 CAADMP C[N@H+]1CC[C@@H](C(=O)NC[C@H]2CC[NH+](CC(N)=O)C2)C1 ZINC001028985030 656123622 /nfs/dbraw/zinc/12/36/22/656123622.db2.gz HDBZKBICSQHZTD-GHMZBOCLSA-N 2 1 268.361 -1.139 20 0 CAADMP C[NH+]1CC[C@@H](C(=O)NC[C@H]2CC[N@H+](CC(N)=O)C2)C1 ZINC001028985030 656123624 /nfs/dbraw/zinc/12/36/24/656123624.db2.gz HDBZKBICSQHZTD-GHMZBOCLSA-N 2 1 268.361 -1.139 20 0 CAADMP C[NH+]1CC[C@@H](C(=O)NC[C@H]2CC[N@@H+](CC(N)=O)C2)C1 ZINC001028985030 656123627 /nfs/dbraw/zinc/12/36/27/656123627.db2.gz HDBZKBICSQHZTD-GHMZBOCLSA-N 2 1 268.361 -1.139 20 0 CAADMP C[NH+]1CC[C@@H]1CNC(=O)COCC(=O)NC[C@H]1CC[N@@H+]1C ZINC000928563786 656127872 /nfs/dbraw/zinc/12/78/72/656127872.db2.gz RPMAHEHJPBQONW-VXGBXAGGSA-N 2 1 298.387 -1.356 20 0 CAADMP CN1CCO[C@H](C(=O)N[C@@H]2CCC[N@@H+](CCO)C2)C1 ZINC001007005910 656129646 /nfs/dbraw/zinc/12/96/46/656129646.db2.gz AAOLDGBCNLXSNY-NEPJUHHUSA-N 2 1 271.361 -1.110 20 0 CAADMP CN1CCO[C@H](C(=O)N[C@@H]2CCCN(CCO)C2)C1 ZINC001007005910 656129648 /nfs/dbraw/zinc/12/96/48/656129648.db2.gz AAOLDGBCNLXSNY-NEPJUHHUSA-N 2 1 271.361 -1.110 20 0 CAADMP C[N@@H+]1CCO[C@H](C(=O)N2CCC([NH2+]CC(N)=O)CC2)C1 ZINC000990572194 656162534 /nfs/dbraw/zinc/16/25/34/656162534.db2.gz ZHUGPNAHQHEIOY-NSHDSACASA-N 2 1 284.360 -1.617 20 0 CAADMP C[N@H+]1CCO[C@H](C(=O)N2CCC([NH2+]CC(N)=O)CC2)C1 ZINC000990572194 656162535 /nfs/dbraw/zinc/16/25/35/656162535.db2.gz ZHUGPNAHQHEIOY-NSHDSACASA-N 2 1 284.360 -1.617 20 0 CAADMP O=S(=O)(N1CCC[C@]12CC[NH2+]C2)N1CC[NH2+]CC1 ZINC000903593517 656185614 /nfs/dbraw/zinc/18/56/14/656185614.db2.gz ODYFJOHYDURWCB-LLVKDONJSA-N 2 1 274.390 -1.036 20 0 CAADMP COC[C@@H]1C[NH2+]CCN1S(=O)(=O)N1CC[NH2+]CC1 ZINC000903600781 656185661 /nfs/dbraw/zinc/18/56/61/656185661.db2.gz GSPBMJPFLMDOHC-JTQLQIEISA-N 2 1 278.378 -1.943 20 0 CAADMP COCC[C@@H]1C[NH2+]CCN1S(=O)(=O)N1CC[NH2+]CC1 ZINC000903576438 656185667 /nfs/dbraw/zinc/18/56/67/656185667.db2.gz RYVXKENOJHTIHR-LLVKDONJSA-N 2 1 292.405 -1.553 20 0 CAADMP COC[C@@H]1C[NH2+]CCN1S(=O)(=O)C[C@H]1C[NH2+]CCO1 ZINC000903597868 656186390 /nfs/dbraw/zinc/18/63/90/656186390.db2.gz FUCZAFYERHHQGR-WDEREUQCSA-N 2 1 293.389 -1.775 20 0 CAADMP O[C@H](CN1CCNCC[NH2+]CC1)C[NH+]1CCCC1 ZINC000903787663 656187327 /nfs/dbraw/zinc/18/73/27/656187327.db2.gz XYXSKJKJQLYPOV-ZDUSSCGKSA-N 2 1 256.394 -1.062 20 0 CAADMP COCC[N@@H+](C)C[C@H](O)CN1CC[NH2+]C[C@@H]1COC ZINC000903881441 656187708 /nfs/dbraw/zinc/18/77/08/656187708.db2.gz DSOBAOXAZVGWIU-OLZOCXBDSA-N 2 1 275.393 -1.154 20 0 CAADMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCN3C(=O)C(=O)NC[C@@H]3C2)C1 ZINC000904328397 656187875 /nfs/dbraw/zinc/18/78/75/656187875.db2.gz OIFGPIBYFINEKZ-KXUCPTDWSA-N 2 1 252.318 -1.634 20 0 CAADMP COCC[N@@H+](C)C[C@H](O)CN1CC[NH2+]C[C@H]1COC ZINC000903881443 656187946 /nfs/dbraw/zinc/18/79/46/656187946.db2.gz DSOBAOXAZVGWIU-STQMWFEESA-N 2 1 275.393 -1.154 20 0 CAADMP C[N@H+]1C[C@@H]2CN(C(=O)C(=O)N3C[C@@H]4C[C@H]3C[NH2+]4)C[C@]2(C)C1 ZINC000904959662 656188528 /nfs/dbraw/zinc/18/85/28/656188528.db2.gz SWUBDVZAHHMDLT-YXMPFFBPSA-N 2 1 292.383 -1.031 20 0 CAADMP CN(CC[NH3+])C(=O)C(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC000904991952 656189017 /nfs/dbraw/zinc/18/90/17/656189017.db2.gz ZOZYSESCRNNGDJ-VXGBXAGGSA-N 2 1 298.387 -1.539 20 0 CAADMP CN1CC[N@@H+](C)CC(C(=O)NCCN2CC[NH+](C)CC2)C1 ZINC000905551827 656191873 /nfs/dbraw/zinc/19/18/73/656191873.db2.gz RYQYOWHOEJBKDC-UHFFFAOYSA-N 2 1 297.447 -1.157 20 0 CAADMP CN1CC[N@@H+](C)CC(C(=O)N2CCN(CCO)CC2)C1 ZINC000906048061 656192446 /nfs/dbraw/zinc/19/24/46/656192446.db2.gz WDOQBNFWYIFQSK-UHFFFAOYSA-N 2 1 284.404 -1.384 20 0 CAADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C1CN(C)CC[NH+](C)C1 ZINC000906649956 656193969 /nfs/dbraw/zinc/19/39/69/656193969.db2.gz IXOBLPOFAQBVRH-CQSZACIVSA-N 2 1 297.447 -1.158 20 0 CAADMP CN1CC[NH+](C)C[C@H]1CNC(=O)C1CN(C)CC[N@H+](C)C1 ZINC000906649956 656193971 /nfs/dbraw/zinc/19/39/71/656193971.db2.gz IXOBLPOFAQBVRH-CQSZACIVSA-N 2 1 297.447 -1.158 20 0 CAADMP CN1CC[NH+](C)C[C@H]1CNC(=O)C1CN(C)CC[N@@H+](C)C1 ZINC000906649956 656193974 /nfs/dbraw/zinc/19/39/74/656193974.db2.gz IXOBLPOFAQBVRH-CQSZACIVSA-N 2 1 297.447 -1.158 20 0 CAADMP CC[N@@H+](CCO)CCNC(=O)[C@]1(C)C[C@@H](O)C[NH+]1C ZINC000907440677 656198102 /nfs/dbraw/zinc/19/81/02/656198102.db2.gz MGQBNXWDXGCHHI-YPMHNXCESA-N 2 1 273.377 -1.128 20 0 CAADMP CC[NH+](CCO)CCNC(=O)[C@]1(C)C[C@@H](O)C[N@@H+]1C ZINC000907440677 656198104 /nfs/dbraw/zinc/19/81/04/656198104.db2.gz MGQBNXWDXGCHHI-YPMHNXCESA-N 2 1 273.377 -1.128 20 0 CAADMP CC[NH+](CCO)CCNC(=O)[C@]1(C)C[C@@H](O)C[N@H+]1C ZINC000907440677 656198105 /nfs/dbraw/zinc/19/81/05/656198105.db2.gz MGQBNXWDXGCHHI-YPMHNXCESA-N 2 1 273.377 -1.128 20 0 CAADMP C[NH+](C)C[C@@H](CO)NC(=O)C[C@@]1(O)CCC[N@@H+](C)C1 ZINC000908201073 656210581 /nfs/dbraw/zinc/21/05/81/656210581.db2.gz NTZFMKVFXKKFIA-AAEUAGOBSA-N 2 1 273.377 -1.128 20 0 CAADMP CN1CC[N@@H+](C)CC(C(=O)N[C@H](CO)C[NH+](C)C)C1 ZINC000908201545 656210769 /nfs/dbraw/zinc/21/07/69/656210769.db2.gz QNRSSNHCVIBVMM-LBPRGKRZSA-N 2 1 272.393 -1.482 20 0 CAADMP C[N@@H+](CCNC(=O)C(=O)N1CCC[C@@]([NH3+])(CO)C1)C1CC1 ZINC000911054342 656232695 /nfs/dbraw/zinc/23/26/95/656232695.db2.gz VMIPJPQZRNLNCN-AWEZNQCLSA-N 2 1 298.387 -1.491 20 0 CAADMP [NH3+]C1(CNC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000911073171 656233700 /nfs/dbraw/zinc/23/37/00/656233700.db2.gz QQWMZPGLTMDMRV-SECBINFHSA-N 2 1 266.345 -1.053 20 0 CAADMP [NH3+]C1(CNC(=O)C(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC000911147838 656235149 /nfs/dbraw/zinc/23/51/49/656235149.db2.gz KKGMMMGMXZCPCE-WDEREUQCSA-N 2 1 296.371 -1.427 20 0 CAADMP C[C@H](NC(=O)C(=O)NCC1([NH3+])CC1)[C@H]1C[N@H+](C)CCO1 ZINC000911161360 656235716 /nfs/dbraw/zinc/23/57/16/656235716.db2.gz ISEYMAPXCLXWKJ-VHSXEESVSA-N 2 1 284.360 -1.571 20 0 CAADMP C[C@H](NC(=O)C(=O)NCC1([NH3+])CC1)[C@H]1C[N@@H+](C)CCO1 ZINC000911161360 656235719 /nfs/dbraw/zinc/23/57/19/656235719.db2.gz ISEYMAPXCLXWKJ-VHSXEESVSA-N 2 1 284.360 -1.571 20 0 CAADMP C[C@@H](NC(=O)C(=O)NCC1([NH3+])CC1)[C@H]1C[N@H+](C)CCO1 ZINC000911161358 656235727 /nfs/dbraw/zinc/23/57/27/656235727.db2.gz ISEYMAPXCLXWKJ-NXEZZACHSA-N 2 1 284.360 -1.571 20 0 CAADMP C[C@@H](NC(=O)C(=O)NCC1([NH3+])CC1)[C@H]1C[N@@H+](C)CCO1 ZINC000911161358 656235729 /nfs/dbraw/zinc/23/57/29/656235729.db2.gz ISEYMAPXCLXWKJ-NXEZZACHSA-N 2 1 284.360 -1.571 20 0 CAADMP C[C@H](NC(=O)C(=O)N1C[C@@H](C)[C@H]([NH3+])C1)[C@@H]1C[N@H+](C)CCO1 ZINC000911161651 656236128 /nfs/dbraw/zinc/23/61/28/656236128.db2.gz KHNWBNABJXNWRC-KXNHARMFSA-N 2 1 298.387 -1.373 20 0 CAADMP C[C@H](NC(=O)C(=O)N1C[C@@H](C)[C@H]([NH3+])C1)[C@@H]1C[N@@H+](C)CCO1 ZINC000911161651 656236129 /nfs/dbraw/zinc/23/61/29/656236129.db2.gz KHNWBNABJXNWRC-KXNHARMFSA-N 2 1 298.387 -1.373 20 0 CAADMP C[C@H](NC(=O)C(=O)N1CCC[C@H]([NH3+])C1)[C@H]1C[N@H+](C)CCO1 ZINC000911162205 656236148 /nfs/dbraw/zinc/23/61/48/656236148.db2.gz NUVNOJDPOMCJBP-SDDRHHMPSA-N 2 1 298.387 -1.229 20 0 CAADMP C[C@H](NC(=O)C(=O)N1CCC[C@H]([NH3+])C1)[C@H]1C[N@@H+](C)CCO1 ZINC000911162205 656236150 /nfs/dbraw/zinc/23/61/50/656236150.db2.gz NUVNOJDPOMCJBP-SDDRHHMPSA-N 2 1 298.387 -1.229 20 0 CAADMP COCC[N@H+]1CC[C@H](NC(=O)C(=O)N2C[C@@H](C)[C@H]([NH3+])C2)C1 ZINC000911243765 656237727 /nfs/dbraw/zinc/23/77/27/656237727.db2.gz ZWSUYWJSMGQLAI-GRYCIOLGSA-N 2 1 298.387 -1.371 20 0 CAADMP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)NCC2([NH3+])CC2)C1 ZINC000911239075 656237803 /nfs/dbraw/zinc/23/78/03/656237803.db2.gz ADUUXYMHPNGSNZ-SNVBAGLBSA-N 2 1 284.360 -1.569 20 0 CAADMP [NH3+]C1(CNC(=O)C(=O)NCCC[NH+]2CCOCC2)CC1 ZINC000911246543 656238539 /nfs/dbraw/zinc/23/85/39/656238539.db2.gz HINPZRGJSLZLIE-UHFFFAOYSA-N 2 1 284.360 -1.568 20 0 CAADMP C[C@H]([NH3+])CNC(=O)C(=O)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC000911281514 656238642 /nfs/dbraw/zinc/23/86/42/656238642.db2.gz PIZNPXGHKUVLOI-SDDRHHMPSA-N 2 1 298.387 -1.493 20 0 CAADMP [NH3+]CCNC(=O)C(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000911270261 656238672 /nfs/dbraw/zinc/23/86/72/656238672.db2.gz UNLFYWMLUVFSEN-ZJUUUORDSA-N 2 1 286.401 -1.243 20 0 CAADMP [NH3+]CCNC(=O)C(=O)N[C@@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC000911270261 656238676 /nfs/dbraw/zinc/23/86/76/656238676.db2.gz UNLFYWMLUVFSEN-ZJUUUORDSA-N 2 1 286.401 -1.243 20 0 CAADMP [NH3+]CCNC(=O)C(=O)N[C@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000911270259 656238718 /nfs/dbraw/zinc/23/87/18/656238718.db2.gz UNLFYWMLUVFSEN-UWVGGRQHSA-N 2 1 286.401 -1.243 20 0 CAADMP [NH3+]CCNC(=O)C(=O)N[C@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC000911270259 656238726 /nfs/dbraw/zinc/23/87/26/656238726.db2.gz UNLFYWMLUVFSEN-UWVGGRQHSA-N 2 1 286.401 -1.243 20 0 CAADMP C[C@H]([NH3+])CNC(=O)C(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC000911281508 656238955 /nfs/dbraw/zinc/23/89/55/656238955.db2.gz PIZNPXGHKUVLOI-QJPTWQEYSA-N 2 1 298.387 -1.493 20 0 CAADMP C[C@H]([NH3+])CNC(=O)C(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC000911281683 656239576 /nfs/dbraw/zinc/23/95/76/656239576.db2.gz PIZNPXGHKUVLOI-TUAOUCFPSA-N 2 1 298.387 -1.493 20 0 CAADMP [NH3+]CCCNC(=O)C(=O)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC000911265173 656239729 /nfs/dbraw/zinc/23/97/29/656239729.db2.gz AKSVLAUNMLJJSX-RYUDHWBXSA-N 2 1 298.387 -1.491 20 0 CAADMP C[N@H+]1C[C@@H]2CN(C(=O)C(=O)N[C@@H]3CC[NH2+]C3)C[C@]2(C)C1 ZINC000911272969 656239853 /nfs/dbraw/zinc/23/98/53/656239853.db2.gz HBJZRKBUTRITOC-GYSYKLTISA-N 2 1 280.372 -1.125 20 0 CAADMP C[C@H]([NH3+])CNC(=O)C(=O)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC000911281682 656239927 /nfs/dbraw/zinc/23/99/27/656239927.db2.gz PIZNPXGHKUVLOI-SRVKXCTJSA-N 2 1 298.387 -1.493 20 0 CAADMP CC1(C)CC[N@@H+](CCNC(=O)C(=O)NCC[NH3+])C1 ZINC000911265478 656239984 /nfs/dbraw/zinc/23/99/84/656239984.db2.gz BXFZAODCNVWXKS-UHFFFAOYSA-N 2 1 256.350 -1.091 20 0 CAADMP C[C@H](C[NH3+])NC(=O)C(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC000911299039 656240661 /nfs/dbraw/zinc/24/06/61/656240661.db2.gz YZHQAGKMWNSFQB-IJLUTSLNSA-N 2 1 298.387 -1.493 20 0 CAADMP C[C@@H](C[NH3+])NC(=O)C(=O)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC000911299044 656240671 /nfs/dbraw/zinc/24/06/71/656240671.db2.gz YZHQAGKMWNSFQB-SRVKXCTJSA-N 2 1 298.387 -1.493 20 0 CAADMP C[NH2+]CCNC(=O)C(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC000911281752 656241104 /nfs/dbraw/zinc/24/11/04/656241104.db2.gz IIJZOTJRWDDESN-VXGBXAGGSA-N 2 1 298.387 -1.620 20 0 CAADMP C[NH2+]CCNC(=O)C(=O)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC000911281749 656241139 /nfs/dbraw/zinc/24/11/39/656241139.db2.gz IIJZOTJRWDDESN-RYUDHWBXSA-N 2 1 298.387 -1.620 20 0 CAADMP C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000911370024 656243088 /nfs/dbraw/zinc/24/30/88/656243088.db2.gz LNQPUTQTSPYYPX-GMTAPVOTSA-N 2 1 268.361 -1.079 20 0 CAADMP C[N@H+]1CCC[C@H](NC(=O)C(=O)NCC2([NH3+])CC2)C1 ZINC000911506392 656248969 /nfs/dbraw/zinc/24/89/69/656248969.db2.gz MNSINZZCEZDADG-VIFPVBQESA-N 2 1 254.334 -1.196 20 0 CAADMP CC(C)(O)C[NH+]1CCN(C(=O)C(=O)NCC2([NH3+])CC2)CC1 ZINC000911504194 656249173 /nfs/dbraw/zinc/24/91/73/656249173.db2.gz GYIMMOVTDQHENZ-UHFFFAOYSA-N 2 1 298.387 -1.491 20 0 CAADMP C[NH+](C)C1(C(=O)NCC(=O)N2CC[NH2+]CC2)CC1 ZINC000911702122 656252831 /nfs/dbraw/zinc/25/28/31/656252831.db2.gz IRHFLZDQKLDIEE-UHFFFAOYSA-N 2 1 254.334 -1.371 20 0 CAADMP CN(CC[N@@H+](C)CCO)C(=O)[C@@]1(C)C[C@H](O)C[NH+]1C ZINC000912601007 656262911 /nfs/dbraw/zinc/26/29/11/656262911.db2.gz SJLXFTFQMOUDIP-WCQYABFASA-N 2 1 273.377 -1.176 20 0 CAADMP CN(CC[NH+](C)CCO)C(=O)[C@@]1(C)C[C@H](O)C[N@@H+]1C ZINC000912601007 656262916 /nfs/dbraw/zinc/26/29/16/656262916.db2.gz SJLXFTFQMOUDIP-WCQYABFASA-N 2 1 273.377 -1.176 20 0 CAADMP CN(CC[NH+](C)CCO)C(=O)[C@@]1(C)C[C@H](O)C[N@H+]1C ZINC000912601007 656262921 /nfs/dbraw/zinc/26/29/21/656262921.db2.gz SJLXFTFQMOUDIP-WCQYABFASA-N 2 1 273.377 -1.176 20 0 CAADMP C[NH+]1CCC[C@](O)(CC(=O)N2CC[N@@H+](C)C[C@H]2CO)C1 ZINC000912751739 656267809 /nfs/dbraw/zinc/26/78/09/656267809.db2.gz PYFNGSNZWQAIGG-JSGCOSHPSA-N 2 1 285.388 -1.032 20 0 CAADMP C[NH+]1CCC[C@](O)(CC(=O)N2CC[N@H+](C)C[C@H]2CO)C1 ZINC000912751739 656267810 /nfs/dbraw/zinc/26/78/10/656267810.db2.gz PYFNGSNZWQAIGG-JSGCOSHPSA-N 2 1 285.388 -1.032 20 0 CAADMP C[NH+]1CCN(C(=O)C[C@@]2(O)CCC[N@H+](C)C2)[C@H](CO)C1 ZINC000912751739 656267811 /nfs/dbraw/zinc/26/78/11/656267811.db2.gz PYFNGSNZWQAIGG-JSGCOSHPSA-N 2 1 285.388 -1.032 20 0 CAADMP C[NH+]1CCN(C(=O)C[C@@]2(O)CCC[N@@H+](C)C2)[C@H](CO)C1 ZINC000912751739 656267812 /nfs/dbraw/zinc/26/78/12/656267812.db2.gz PYFNGSNZWQAIGG-JSGCOSHPSA-N 2 1 285.388 -1.032 20 0 CAADMP C[N@@H+]1CC[C@@H](CC(=O)NC[C@]2(CO)COCC[NH2+]2)C1 ZINC000913184847 656275925 /nfs/dbraw/zinc/27/59/25/656275925.db2.gz UOORVOCDAZGRBM-AAEUAGOBSA-N 2 1 271.361 -1.205 20 0 CAADMP C[N@H+]1CC[C@@H](CC(=O)NC[C@]2(CO)COCC[NH2+]2)C1 ZINC000913184847 656275929 /nfs/dbraw/zinc/27/59/29/656275929.db2.gz UOORVOCDAZGRBM-AAEUAGOBSA-N 2 1 271.361 -1.205 20 0 CAADMP C[N@H+](CC(=O)NC[C@]1(CO)COCC[NH2+]1)C1CCC1 ZINC000913185357 656276309 /nfs/dbraw/zinc/27/63/09/656276309.db2.gz ZIFUXEMBZCPLBX-ZDUSSCGKSA-N 2 1 271.361 -1.062 20 0 CAADMP C[N@@H+](CC(=O)NC[C@]1(CO)COCC[NH2+]1)C1CCC1 ZINC000913185357 656276310 /nfs/dbraw/zinc/27/63/10/656276310.db2.gz ZIFUXEMBZCPLBX-ZDUSSCGKSA-N 2 1 271.361 -1.062 20 0 CAADMP CCC[N@H+](C)CC(=O)NC[C@@]1(CO)COCC[NH2+]1 ZINC000913187317 656277912 /nfs/dbraw/zinc/27/79/12/656277912.db2.gz ATXBAHQBSCBQHV-GFCCVEGCSA-N 2 1 259.350 -1.205 20 0 CAADMP CCC[N@@H+](C)CC(=O)NC[C@@]1(CO)COCC[NH2+]1 ZINC000913187317 656277917 /nfs/dbraw/zinc/27/79/17/656277917.db2.gz ATXBAHQBSCBQHV-GFCCVEGCSA-N 2 1 259.350 -1.205 20 0 CAADMP COC[C@@H](O)C[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000225485427 656298221 /nfs/dbraw/zinc/29/82/21/656298221.db2.gz QIEAUCJCMNSQMC-MNOVXSKESA-N 2 1 259.350 -1.219 20 0 CAADMP CO[C@@H](C[NH3+])C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000227389665 656309871 /nfs/dbraw/zinc/30/98/71/656309871.db2.gz LBURPIIUMLWYOC-MXWKQRLJSA-N 2 1 257.334 -1.061 20 0 CAADMP C[NH+]1CCN(C(=O)C[C@]2(O)CCC[N@@H+](C)C2)C[C@H]1CO ZINC000913556350 656321307 /nfs/dbraw/zinc/32/13/07/656321307.db2.gz XZKPRPMGNMDRHH-GXTWGEPZSA-N 2 1 285.388 -1.032 20 0 CAADMP C[NH+]1CCN(C(=O)C[C@]2(O)CCC[N@H+](C)C2)C[C@H]1CO ZINC000913556350 656321313 /nfs/dbraw/zinc/32/13/13/656321313.db2.gz XZKPRPMGNMDRHH-GXTWGEPZSA-N 2 1 285.388 -1.032 20 0 CAADMP C[NH+]1CCC[C@@](O)(CC(=O)N2CC[N@H+](C)[C@H](CO)C2)C1 ZINC000913556350 656321318 /nfs/dbraw/zinc/32/13/18/656321318.db2.gz XZKPRPMGNMDRHH-GXTWGEPZSA-N 2 1 285.388 -1.032 20 0 CAADMP C[NH+]1CCC[C@@](O)(CC(=O)N2CC[N@@H+](C)[C@H](CO)C2)C1 ZINC000913556350 656321321 /nfs/dbraw/zinc/32/13/21/656321321.db2.gz XZKPRPMGNMDRHH-GXTWGEPZSA-N 2 1 285.388 -1.032 20 0 CAADMP C[NH+]1CCN(C(=O)C[C@@]2(O)CCC[N@@H+](C)C2)C[C@@H]1CO ZINC000913556352 656321737 /nfs/dbraw/zinc/32/17/37/656321737.db2.gz XZKPRPMGNMDRHH-OCCSQVGLSA-N 2 1 285.388 -1.032 20 0 CAADMP C[NH+]1CCN(C(=O)C[C@@]2(O)CCC[N@H+](C)C2)C[C@@H]1CO ZINC000913556352 656321739 /nfs/dbraw/zinc/32/17/39/656321739.db2.gz XZKPRPMGNMDRHH-OCCSQVGLSA-N 2 1 285.388 -1.032 20 0 CAADMP C[NH+]1CCC[C@](O)(CC(=O)N2CC[N@H+](C)[C@@H](CO)C2)C1 ZINC000913556352 656321743 /nfs/dbraw/zinc/32/17/43/656321743.db2.gz XZKPRPMGNMDRHH-OCCSQVGLSA-N 2 1 285.388 -1.032 20 0 CAADMP C[NH+]1CCC[C@](O)(CC(=O)N2CC[N@@H+](C)[C@@H](CO)C2)C1 ZINC000913556352 656321746 /nfs/dbraw/zinc/32/17/46/656321746.db2.gz XZKPRPMGNMDRHH-OCCSQVGLSA-N 2 1 285.388 -1.032 20 0 CAADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C[C@H](O)CO)CC1 ZINC000929848636 656353682 /nfs/dbraw/zinc/35/36/82/656353682.db2.gz OWVKBVIGGXRJDV-NWDGAFQWSA-N 2 1 271.361 -1.422 20 0 CAADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C[C@@H](O)CO)CC1 ZINC000929848638 656353768 /nfs/dbraw/zinc/35/37/68/656353768.db2.gz OWVKBVIGGXRJDV-VXGBXAGGSA-N 2 1 271.361 -1.422 20 0 CAADMP COC[C@H](O)C[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000069054634 656391361 /nfs/dbraw/zinc/39/13/61/656391361.db2.gz QIEAUCJCMNSQMC-WDEREUQCSA-N 2 1 259.350 -1.219 20 0 CAADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC2C[NH+](CCO)C2)O1 ZINC001031765717 656391493 /nfs/dbraw/zinc/39/14/93/656391493.db2.gz NBPLWCSNFZYEBG-ZYHUDNBSSA-N 2 1 271.361 -1.254 20 0 CAADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC2C[NH+](CCO)C2)O1 ZINC001031765717 656391497 /nfs/dbraw/zinc/39/14/97/656391497.db2.gz NBPLWCSNFZYEBG-ZYHUDNBSSA-N 2 1 271.361 -1.254 20 0 CAADMP COC[C@@H](O)C[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000069054635 656391601 /nfs/dbraw/zinc/39/16/01/656391601.db2.gz QIEAUCJCMNSQMC-QWRGUYRKSA-N 2 1 259.350 -1.219 20 0 CAADMP O=C(NCC1C[NH+](CCO)C1)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001031857535 656399619 /nfs/dbraw/zinc/39/96/19/656399619.db2.gz XQWUAKGKQOEMKE-QRJNDHJOSA-N 2 1 295.383 -1.110 20 0 CAADMP CC[N@@H+]1CCO[C@@H](C(=O)N2CCC([NH2+]CC(N)=O)CC2)C1 ZINC000997336503 656504756 /nfs/dbraw/zinc/50/47/56/656504756.db2.gz PYKQKDPQLYAMIW-GFCCVEGCSA-N 2 1 298.387 -1.227 20 0 CAADMP CC[N@H+]1CCO[C@@H](C(=O)N2CCC([NH2+]CC(N)=O)CC2)C1 ZINC000997336503 656504770 /nfs/dbraw/zinc/50/47/70/656504770.db2.gz PYKQKDPQLYAMIW-GFCCVEGCSA-N 2 1 298.387 -1.227 20 0 CAADMP CC[N@@H+]1CCO[C@H](C(=O)N2CCC([NH2+]CC(N)=O)CC2)C1 ZINC000997336504 656504948 /nfs/dbraw/zinc/50/49/48/656504948.db2.gz PYKQKDPQLYAMIW-LBPRGKRZSA-N 2 1 298.387 -1.227 20 0 CAADMP CC[N@H+]1CCO[C@H](C(=O)N2CCC([NH2+]CC(N)=O)CC2)C1 ZINC000997336504 656504956 /nfs/dbraw/zinc/50/49/56/656504956.db2.gz PYKQKDPQLYAMIW-LBPRGKRZSA-N 2 1 298.387 -1.227 20 0 CAADMP C[C@@H]1CN(C)C[C@H](C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CCO)O1 ZINC001032473062 656513444 /nfs/dbraw/zinc/51/34/44/656513444.db2.gz ZJAPKCBLXMRSJJ-MROQNXINSA-N 2 1 283.372 -1.017 20 0 CAADMP CN(C(=O)[C@H]1C[N@H+](C)CCO1)C1CC([NH2+]CCO)C1 ZINC000998583352 656536100 /nfs/dbraw/zinc/53/61/00/656536100.db2.gz SIGUURRLFFDGPJ-HTAVTVPLSA-N 2 1 271.361 -1.112 20 0 CAADMP CN(C(=O)[C@H]1C[N@@H+](C)CCO1)C1CC([NH2+]CCO)C1 ZINC000998583352 656536107 /nfs/dbraw/zinc/53/61/07/656536107.db2.gz SIGUURRLFFDGPJ-HTAVTVPLSA-N 2 1 271.361 -1.112 20 0 CAADMP CN(C(=O)[C@H]1C[N@H+](C)CCO1)C1CC([NH2+]CC(N)=O)C1 ZINC000998584707 656537110 /nfs/dbraw/zinc/53/71/10/656537110.db2.gz GOLHFAVVYZJBKP-VQXHTEKXSA-N 2 1 284.360 -1.619 20 0 CAADMP CN(C(=O)[C@H]1C[N@@H+](C)CCO1)C1CC([NH2+]CC(N)=O)C1 ZINC000998584707 656537117 /nfs/dbraw/zinc/53/71/17/656537117.db2.gz GOLHFAVVYZJBKP-VQXHTEKXSA-N 2 1 284.360 -1.619 20 0 CAADMP C[N@@H+]1CCO[C@@H](C(=O)N2CCC[C@@H]([NH2+]CCO)C2)C1 ZINC000998830303 656562882 /nfs/dbraw/zinc/56/28/82/656562882.db2.gz XRGCAAFONHJTAR-VXGBXAGGSA-N 2 1 271.361 -1.110 20 0 CAADMP C[N@H+]1CCO[C@@H](C(=O)N2CCC[C@@H]([NH2+]CCO)C2)C1 ZINC000998830303 656562895 /nfs/dbraw/zinc/56/28/95/656562895.db2.gz XRGCAAFONHJTAR-VXGBXAGGSA-N 2 1 271.361 -1.110 20 0 CAADMP C[N@@H+]1CCO[C@H](C(=O)N2CCC[C@@H]([NH2+]CCO)C2)C1 ZINC000998830289 656563287 /nfs/dbraw/zinc/56/32/87/656563287.db2.gz XRGCAAFONHJTAR-NEPJUHHUSA-N 2 1 271.361 -1.110 20 0 CAADMP C[N@H+]1CCO[C@H](C(=O)N2CCC[C@@H]([NH2+]CCO)C2)C1 ZINC000998830289 656563301 /nfs/dbraw/zinc/56/33/01/656563301.db2.gz XRGCAAFONHJTAR-NEPJUHHUSA-N 2 1 271.361 -1.110 20 0 CAADMP CC[N@@H+]1CCO[C@H](C(=O)N(C)C2CC([NH2+]CC(N)=O)C2)C1 ZINC000999862863 656585290 /nfs/dbraw/zinc/58/52/90/656585290.db2.gz PZOXCWBXUSELSL-MCIGGMRASA-N 2 1 298.387 -1.229 20 0 CAADMP CC[N@H+]1CCO[C@H](C(=O)N(C)C2CC([NH2+]CC(N)=O)C2)C1 ZINC000999862863 656585306 /nfs/dbraw/zinc/58/53/06/656585306.db2.gz PZOXCWBXUSELSL-MCIGGMRASA-N 2 1 298.387 -1.229 20 0 CAADMP CC[N@@H+]1CCO[C@H](C(=O)N2CCC[C@@H]([NH2+]CC(N)=O)C2)C1 ZINC001000973830 656615053 /nfs/dbraw/zinc/61/50/53/656615053.db2.gz XDJFYLFBRTYWAQ-NEPJUHHUSA-N 2 1 298.387 -1.227 20 0 CAADMP CC[N@H+]1CCO[C@H](C(=O)N2CCC[C@@H]([NH2+]CC(N)=O)C2)C1 ZINC001000973830 656615057 /nfs/dbraw/zinc/61/50/57/656615057.db2.gz XDJFYLFBRTYWAQ-NEPJUHHUSA-N 2 1 298.387 -1.227 20 0 CAADMP CN(C(=O)[C@H]1CN(C)CCO1)[C@@H]1CC[N@@H+](CCO)C1 ZINC001032981368 656670178 /nfs/dbraw/zinc/67/01/78/656670178.db2.gz RKPLCSTWNDSMFJ-VXGBXAGGSA-N 2 1 271.361 -1.158 20 0 CAADMP CN(C(=O)[C@H]1CN(C)CCO1)[C@H]1CC[N@@H+](CCO)C1 ZINC001032981366 656670326 /nfs/dbraw/zinc/67/03/26/656670326.db2.gz RKPLCSTWNDSMFJ-NWDGAFQWSA-N 2 1 271.361 -1.158 20 0 CAADMP C[NH+](C)C[C@H](N)C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000702385141 656736776 /nfs/dbraw/zinc/73/67/76/656736776.db2.gz CECSQARRQVYVHD-UTUOFQBUSA-N 2 1 270.377 -1.145 20 0 CAADMP C[NH+](C)C[C@H](N)C(=O)NCCC[NH+]1CCOCC1 ZINC000702433010 656737197 /nfs/dbraw/zinc/73/71/97/656737197.db2.gz YRVXKVRGSXOKCP-NSHDSACASA-N 2 1 258.366 -1.286 20 0 CAADMP COCC[N@@H+](C)C[C@@H](O)CN1CCC[C@@H]([NH2+]CCO)C1 ZINC000708545627 656792977 /nfs/dbraw/zinc/79/29/77/656792977.db2.gz PWQBKECAFIUFLN-ZIAGYGMSSA-N 2 1 289.420 -1.028 20 0 CAADMP CS(=O)(=O)N[C@H]1CC[N@@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923317099 656802624 /nfs/dbraw/zinc/80/26/24/656802624.db2.gz SZQOBQLYOQELBC-QWRGUYRKSA-N 2 1 289.401 -1.012 20 0 CAADMP OCC[N@@H+](CCN1CCOCC1)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923323262 656802876 /nfs/dbraw/zinc/80/28/76/656802876.db2.gz WMFSTNHSRVWTAP-AWEZNQCLSA-N 2 1 299.415 -1.009 20 0 CAADMP CN1CC(=O)N(CC[N@@H+](C)CCN2CC[NH2+]CC2)C1=O ZINC000923285995 656803034 /nfs/dbraw/zinc/80/30/34/656803034.db2.gz KQPNFHXLFMEALF-UHFFFAOYSA-N 2 1 283.376 -1.283 20 0 CAADMP CN1CC(=O)N(CC[N@@H+](C)CCOCC[NH3+])C1=O ZINC000923404288 656804204 /nfs/dbraw/zinc/80/42/04/656804204.db2.gz YKDATWKTYFNQOU-UHFFFAOYSA-N 2 1 258.322 -1.213 20 0 CAADMP C[C@@H]1C[N@H+](C[C@H]2CC3(C[NH2+]C3)CO2)C[C@@H](C(N)=O)O1 ZINC000923398473 656804270 /nfs/dbraw/zinc/80/42/70/656804270.db2.gz KFWMOHVGUIFLLU-MXWKQRLJSA-N 2 1 269.345 -1.061 20 0 CAADMP C[C@@H]1C[N@@H+](C[C@H]2CC3(C[NH2+]C3)CO2)C[C@@H](C(N)=O)O1 ZINC000923398473 656804271 /nfs/dbraw/zinc/80/42/71/656804271.db2.gz KFWMOHVGUIFLLU-MXWKQRLJSA-N 2 1 269.345 -1.061 20 0 CAADMP O=C1NC[C@@H]2C[N@H+](C[C@@H]3CC4(C[NH2+]C4)CO3)CCN2C1=O ZINC000923373074 656804281 /nfs/dbraw/zinc/80/42/81/656804281.db2.gz LPAKHLAILXGHGX-MNOVXSKESA-N 2 1 294.355 -1.993 20 0 CAADMP O=C1NC[C@@H]2C[N@@H+](C[C@@H]3CC4(C[NH2+]C4)CO3)CCN2C1=O ZINC000923373074 656804285 /nfs/dbraw/zinc/80/42/85/656804285.db2.gz LPAKHLAILXGHGX-MNOVXSKESA-N 2 1 294.355 -1.993 20 0 CAADMP C[NH+]1CCN(C(=O)CCN2CCC[C@]([NH3+])(CO)C2)CC1 ZINC000923474477 656804837 /nfs/dbraw/zinc/80/48/37/656804837.db2.gz IRWXSAVRWBSBAY-CQSZACIVSA-N 2 1 284.404 -1.064 20 0 CAADMP CCNC(=O)NC(=O)CN1CC[NH2+]CC[NH2+]CC1 ZINC000923466289 656805095 /nfs/dbraw/zinc/80/50/95/656805095.db2.gz MAFLPRRXVANXOJ-UHFFFAOYSA-N 2 1 257.338 -1.673 20 0 CAADMP C[C@H](C(=O)NC(=O)NC1CC1)N1CC[NH2+]CC[NH2+]CC1 ZINC000923465014 656805191 /nfs/dbraw/zinc/80/51/91/656805191.db2.gz UKZZBMPQPUPRRO-SNVBAGLBSA-N 2 1 283.376 -1.142 20 0 CAADMP C[NH2+]CCCN1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000923434239 656805340 /nfs/dbraw/zinc/80/53/40/656805340.db2.gz UQCWZZDMSGWBPM-UHFFFAOYSA-N 2 1 276.406 -1.485 20 0 CAADMP COCC[N@@H+](C)C[C@H](O)CN1CCC[C@]([NH3+])(CO)C1 ZINC000923474164 656805377 /nfs/dbraw/zinc/80/53/77/656805377.db2.gz WQVYFTWMAOSWIQ-QWHCGFSZSA-N 2 1 275.393 -1.289 20 0 CAADMP COC(=O)CCN1CC[C@@H](N2CC[NH2+]CC[NH2+]CC2)C1=O ZINC000923460000 656805386 /nfs/dbraw/zinc/80/53/86/656805386.db2.gz JUCYUNQSQMQFRZ-GFCCVEGCSA-N 2 1 298.387 -1.355 20 0 CAADMP O=S1(=O)NC[C@H]2C[N@@H+](CC[C@H]3CC[NH2+]C3)CCN21 ZINC000923549205 656805650 /nfs/dbraw/zinc/80/56/50/656805650.db2.gz GHBRPDRTOUKBQU-MNOVXSKESA-N 2 1 274.390 -1.180 20 0 CAADMP C[C@@H]1C[N@@H+](CC(=O)N2CCNC(=O)C2)CC[C@H]1C[NH3+] ZINC000923500116 656805897 /nfs/dbraw/zinc/80/58/97/656805897.db2.gz ODBSVEIBVAPENY-MNOVXSKESA-N 2 1 268.361 -1.139 20 0 CAADMP C[C@H]1C[N@@H+](CC(=O)N2CCNC(=O)C2)CC[C@H]1C[NH3+] ZINC000923500117 656806469 /nfs/dbraw/zinc/80/64/69/656806469.db2.gz ODBSVEIBVAPENY-QWRGUYRKSA-N 2 1 268.361 -1.139 20 0 CAADMP C[C@@H]1CN(S(=O)(=O)N2CC[NH2+]CC2)C[C@@H](C)[NH2+]1 ZINC000923569581 656806916 /nfs/dbraw/zinc/80/69/16/656806916.db2.gz PKMQZCGENGTCLO-NXEZZACHSA-N 2 1 262.379 -1.181 20 0 CAADMP C[C@@H](CNS(=O)(=O)C1C[NH2+]C1)CN1CCN(C)CC1 ZINC000923620230 656810190 /nfs/dbraw/zinc/81/01/90/656810190.db2.gz SBDOSGGIWGEIKJ-NSHDSACASA-N 2 1 290.433 -1.239 20 0 CAADMP O=S(=O)(C1C[NH2+]C1)N1CC[C@H]2OCC[NH2+][C@H]2C1 ZINC000923642621 656811362 /nfs/dbraw/zinc/81/13/62/656811362.db2.gz FVRXAMIARWZXRF-VHSXEESVSA-N 2 1 261.347 -1.649 20 0 CAADMP O=S(=O)(N1C[C@H]2C[NH2+]C[C@H]2C1)N1CC[NH2+]CC1 ZINC000923636548 656811448 /nfs/dbraw/zinc/81/14/48/656811448.db2.gz OFSIGQCKQRYTNN-AOOOYVTPSA-N 2 1 260.363 -1.712 20 0 CAADMP O=S(=O)(C1C[NH2+]C1)N1CC[C@@H]2OCC[NH2+][C@H]2C1 ZINC000923642620 656811735 /nfs/dbraw/zinc/81/17/35/656811735.db2.gz FVRXAMIARWZXRF-UWVGGRQHSA-N 2 1 261.347 -1.649 20 0 CAADMP COC(=O)[C@H]1C[NH2+]CCCN1S(=O)(=O)C1C[NH2+]C1 ZINC000923643454 656811795 /nfs/dbraw/zinc/81/17/95/656811795.db2.gz KURYDRPUIZURMZ-SECBINFHSA-N 2 1 277.346 -1.875 20 0 CAADMP O=S(=O)(NC[C@@H]1COCC[NH2+]1)N1CC[NH2+]CC1 ZINC000923664258 656813060 /nfs/dbraw/zinc/81/30/60/656813060.db2.gz XJOVPSBMMJECND-SECBINFHSA-N 2 1 264.351 -2.286 20 0 CAADMP O=S(=O)(N1CC[NH2+]CC1)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000923670642 656814050 /nfs/dbraw/zinc/81/40/50/656814050.db2.gz BBOMBOCJAJSDDH-QWRGUYRKSA-N 2 1 274.390 -1.037 20 0 CAADMP O=S(=O)(N1CC[NH2+]CC1)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000923670644 656814290 /nfs/dbraw/zinc/81/42/90/656814290.db2.gz BBOMBOCJAJSDDH-WDEREUQCSA-N 2 1 274.390 -1.037 20 0 CAADMP O=S(=O)(N1CC[NH2+]CC1)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000923670637 656814407 /nfs/dbraw/zinc/81/44/07/656814407.db2.gz BBOMBOCJAJSDDH-GHMZBOCLSA-N 2 1 274.390 -1.037 20 0 CAADMP C(C[N@H+]1CC[C@H](N[C@H]2C[NH2+]CCOC2)C1)N1CCOCC1 ZINC000925498931 656815425 /nfs/dbraw/zinc/81/54/25/656815425.db2.gz TXUMMTXAGBQENU-GJZGRUSLSA-N 2 1 298.431 -1.029 20 0 CAADMP C(C[N@H+]1CC[C@H](N[C@@H]2C[NH2+]CCOC2)C1)N1CCOCC1 ZINC000925498933 656815441 /nfs/dbraw/zinc/81/54/41/656815441.db2.gz TXUMMTXAGBQENU-LSDHHAIUSA-N 2 1 298.431 -1.029 20 0 CAADMP C[NH+]1CCN(C(=O)CCN[C@@H]2C[NH2+]CCOC2)CC1 ZINC000925488662 656819301 /nfs/dbraw/zinc/81/93/01/656819301.db2.gz DUJIRJPGNVFTLP-GFCCVEGCSA-N 2 1 270.377 -1.272 20 0 CAADMP C[NH+]1CCN(C(=O)CCN[C@H]2C[NH2+]CCOC2)CC1 ZINC000925488663 656819784 /nfs/dbraw/zinc/81/97/84/656819784.db2.gz DUJIRJPGNVFTLP-LBPRGKRZSA-N 2 1 270.377 -1.272 20 0 CAADMP C[C@@H]1CN(C(=O)C(=O)NC[C@H]2C[C@@H](O)C[N@H+]2C)C[C@H]1C[NH3+] ZINC000926421170 656823064 /nfs/dbraw/zinc/82/30/64/656823064.db2.gz LRIKCOMAGCMAEV-DDHJBXDOSA-N 2 1 298.387 -1.779 20 0 CAADMP C[C@H](O)[C@H](O)C[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000930167163 656837818 /nfs/dbraw/zinc/83/78/18/656837818.db2.gz IMTITCZTISJBPJ-QWHCGFSZSA-N 2 1 288.388 -1.113 20 0 CAADMP C[NH+](C)CC1(O)CC[NH+](CCNS(C)(=O)=O)CC1 ZINC000931486383 656846090 /nfs/dbraw/zinc/84/60/90/656846090.db2.gz YYZZWVQXDKNDGM-UHFFFAOYSA-N 2 1 279.406 -1.076 20 0 CAADMP C[NH+](C[C@@H](O)CO)[C@H]1CC[C@H]([N@@H+](C)C[C@@H](O)CO)CC1 ZINC000931738725 656848750 /nfs/dbraw/zinc/84/87/50/656848750.db2.gz XFJZFDGPUQIBGQ-AAVRWANBSA-N 2 1 290.404 -1.132 20 0 CAADMP O=C(CC[N@H+]1CCCNC(=O)C1)N1CC[NH2+]CC1 ZINC000087884161 656896954 /nfs/dbraw/zinc/89/69/54/656896954.db2.gz GORDCTKPOLYATP-UHFFFAOYSA-N 2 1 254.334 -1.370 20 0 CAADMP O=C(NC[C@@H]1C[N@@H+](CCCO)C[C@@H]1O)C12CC[NH+](CC1)C2 ZINC000958595225 656976514 /nfs/dbraw/zinc/97/65/14/656976514.db2.gz PUNGIFYVPIQGHS-OLZOCXBDSA-N 2 1 297.399 -1.127 20 0 CAADMP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)[C@H]([NH3+])CC(N)=O ZINC000251849280 656981342 /nfs/dbraw/zinc/98/13/42/656981342.db2.gz RGXAFLFTFANGJI-KXUCPTDWSA-N 2 1 254.334 -1.116 20 0 CAADMP C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)[C@H]([NH3+])CC(N)=O ZINC000251849280 656981356 /nfs/dbraw/zinc/98/13/56/656981356.db2.gz RGXAFLFTFANGJI-KXUCPTDWSA-N 2 1 254.334 -1.116 20 0 CAADMP NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC000959918077 656991291 /nfs/dbraw/zinc/99/12/91/656991291.db2.gz FAWLKQZEZOLILR-CIQGVGRVSA-N 2 1 292.383 -1.140 20 0 CAADMP NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC000959918077 656991298 /nfs/dbraw/zinc/99/12/98/656991298.db2.gz FAWLKQZEZOLILR-CIQGVGRVSA-N 2 1 292.383 -1.140 20 0 CAADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2[C@H]3CN(CC(N)=O)C[C@H]32)O1 ZINC000960527737 656997084 /nfs/dbraw/zinc/99/70/84/656997084.db2.gz OQAZEASVRBXJEI-HMUNZLOLSA-N 2 1 296.371 -1.763 20 0 CAADMP C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2[C@H]3C[NH+](CC(N)=O)C[C@H]32)C1 ZINC000961785497 657012513 /nfs/dbraw/zinc/01/25/13/657012513.db2.gz FXMGAXVBNJYPMO-PUHVVEEASA-N 2 1 280.372 -1.140 20 0 CAADMP C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2[C@H]3C[NH+](CC(N)=O)C[C@H]32)C1 ZINC000961785497 657012517 /nfs/dbraw/zinc/01/25/17/657012517.db2.gz FXMGAXVBNJYPMO-PUHVVEEASA-N 2 1 280.372 -1.140 20 0 CAADMP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2[C@H]3C[N@H+](CC(N)=O)C[C@H]32)C1 ZINC000961785497 657012522 /nfs/dbraw/zinc/01/25/22/657012522.db2.gz FXMGAXVBNJYPMO-PUHVVEEASA-N 2 1 280.372 -1.140 20 0 CAADMP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2[C@H]3C[N@@H+](CC(N)=O)C[C@H]32)C1 ZINC000961785497 657012523 /nfs/dbraw/zinc/01/25/23/657012523.db2.gz FXMGAXVBNJYPMO-PUHVVEEASA-N 2 1 280.372 -1.140 20 0 CAADMP NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1CCCC1 ZINC000962558801 657022322 /nfs/dbraw/zinc/02/23/22/657022322.db2.gz XBJYHOCPNDBKTA-IWIIMEHWSA-N 2 1 266.345 -1.386 20 0 CAADMP NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1CCCC1 ZINC000962558801 657022329 /nfs/dbraw/zinc/02/23/29/657022329.db2.gz XBJYHOCPNDBKTA-IWIIMEHWSA-N 2 1 266.345 -1.386 20 0 CAADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CC[NH+](CCO)C2)O1 ZINC001014920673 657156753 /nfs/dbraw/zinc/15/67/53/657156753.db2.gz OMOJAQPPVSVRLZ-IJLUTSLNSA-N 2 1 271.361 -1.112 20 0 CAADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CC[NH+](CCO)C2)O1 ZINC001014920673 657156759 /nfs/dbraw/zinc/15/67/59/657156759.db2.gz OMOJAQPPVSVRLZ-IJLUTSLNSA-N 2 1 271.361 -1.112 20 0 CAADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2CC[N@H+](CCO)C2)O1 ZINC001014920673 657156764 /nfs/dbraw/zinc/15/67/64/657156764.db2.gz OMOJAQPPVSVRLZ-IJLUTSLNSA-N 2 1 271.361 -1.112 20 0 CAADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2CC[N@@H+](CCO)C2)O1 ZINC001014920673 657156767 /nfs/dbraw/zinc/15/67/67/657156767.db2.gz OMOJAQPPVSVRLZ-IJLUTSLNSA-N 2 1 271.361 -1.112 20 0 CAADMP CC[NH+]1CCO[C@@H](C(=O)N[C@H]2CC[N@@H+](CCO)C2)C1 ZINC001016302707 657206630 /nfs/dbraw/zinc/20/66/30/657206630.db2.gz NWCNOTWYOIBPEV-NWDGAFQWSA-N 2 1 271.361 -1.110 20 0 CAADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@H]2CC[NH+](CCO)C2)C1 ZINC001016302707 657206605 /nfs/dbraw/zinc/20/66/05/657206605.db2.gz NWCNOTWYOIBPEV-NWDGAFQWSA-N 2 1 271.361 -1.110 20 0 CAADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@H]2CC[NH+](CCO)C2)C1 ZINC001016302707 657206608 /nfs/dbraw/zinc/20/66/08/657206608.db2.gz NWCNOTWYOIBPEV-NWDGAFQWSA-N 2 1 271.361 -1.110 20 0 CAADMP CC[NH+]1CCO[C@@H](C(=O)N[C@H]2CC[N@H+](CCO)C2)C1 ZINC001016302707 657206615 /nfs/dbraw/zinc/20/66/15/657206615.db2.gz NWCNOTWYOIBPEV-NWDGAFQWSA-N 2 1 271.361 -1.110 20 0 CAADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CC[NH+](CCO)C2)C1 ZINC001016302704 657207067 /nfs/dbraw/zinc/20/70/67/657207067.db2.gz NWCNOTWYOIBPEV-NEPJUHHUSA-N 2 1 271.361 -1.110 20 0 CAADMP CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2CC[NH+](CCO)C2)C1 ZINC001016302704 657207079 /nfs/dbraw/zinc/20/70/79/657207079.db2.gz NWCNOTWYOIBPEV-NEPJUHHUSA-N 2 1 271.361 -1.110 20 0 CAADMP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2CC[N@H+](CCO)C2)C1 ZINC001016302704 657207092 /nfs/dbraw/zinc/20/70/92/657207092.db2.gz NWCNOTWYOIBPEV-NEPJUHHUSA-N 2 1 271.361 -1.110 20 0 CAADMP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2CC[N@@H+](CCO)C2)C1 ZINC001016302704 657207099 /nfs/dbraw/zinc/20/70/99/657207099.db2.gz NWCNOTWYOIBPEV-NEPJUHHUSA-N 2 1 271.361 -1.110 20 0 CAADMP C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H]([NH2+]CC(N)=O)C1 ZINC001018636606 657237438 /nfs/dbraw/zinc/23/74/38/657237438.db2.gz VYJMWHGLYXRPCE-VHSXEESVSA-N 2 1 254.334 -1.244 20 0 CAADMP C[NH+](C)[C@H](Cn1cccn1)C(=O)N1CC[C@H]([NH2+]CCO)C1 ZINC001018963583 657252221 /nfs/dbraw/zinc/25/22/21/657252221.db2.gz RIDMOGVZMCSGPY-QWHCGFSZSA-N 2 1 295.387 -1.004 20 0 CAADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@H]([NH2+]CC(N)=O)C2)O1 ZINC001019032075 657253603 /nfs/dbraw/zinc/25/36/03/657253603.db2.gz DGHBPYCUQVHNIZ-OUAUKWLOSA-N 2 1 284.360 -1.619 20 0 CAADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@H]([NH2+]CC(N)=O)C2)O1 ZINC001019032075 657253609 /nfs/dbraw/zinc/25/36/09/657253609.db2.gz DGHBPYCUQVHNIZ-OUAUKWLOSA-N 2 1 284.360 -1.619 20 0 CAADMP CC(C)[N@@H+]1CCO[C@H](C(=O)N2CC[C@H]([NH2+]CC(N)=O)C2)C1 ZINC001019285257 657258745 /nfs/dbraw/zinc/25/87/45/657258745.db2.gz GPHOFGXMALNLEX-RYUDHWBXSA-N 2 1 298.387 -1.229 20 0 CAADMP CC(C)[N@H+]1CCO[C@H](C(=O)N2CC[C@H]([NH2+]CC(N)=O)C2)C1 ZINC001019285257 657258756 /nfs/dbraw/zinc/25/87/56/657258756.db2.gz GPHOFGXMALNLEX-RYUDHWBXSA-N 2 1 298.387 -1.229 20 0 CAADMP C[N@@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H]([NH2+]CC(N)=O)C2)C1 ZINC001020045813 657283428 /nfs/dbraw/zinc/28/34/28/657283428.db2.gz MMMNYUYXPUSYTM-GUBZILKMSA-N 2 1 270.333 -1.961 20 0 CAADMP C[N@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H]([NH2+]CC(N)=O)C2)C1 ZINC001020045813 657283432 /nfs/dbraw/zinc/28/34/32/657283432.db2.gz MMMNYUYXPUSYTM-GUBZILKMSA-N 2 1 270.333 -1.961 20 0 CAADMP C[C@H]([NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1)C(N)=O ZINC001020045434 657283475 /nfs/dbraw/zinc/28/34/75/657283475.db2.gz BLZIJIZJLVIGGV-XWLWVQCSSA-N 2 1 284.360 -1.572 20 0 CAADMP C[C@H]([NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1)C(N)=O ZINC001020045434 657283488 /nfs/dbraw/zinc/28/34/88/657283488.db2.gz BLZIJIZJLVIGGV-XWLWVQCSSA-N 2 1 284.360 -1.572 20 0 CAADMP CC[C@@H]([NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1)C(N)=O ZINC001020045462 657283630 /nfs/dbraw/zinc/28/36/30/657283630.db2.gz BUTGAHIWCYNWOR-DDHJBXDOSA-N 2 1 298.387 -1.182 20 0 CAADMP CC[C@@H]([NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1)C(N)=O ZINC001020045462 657283638 /nfs/dbraw/zinc/28/36/38/657283638.db2.gz BUTGAHIWCYNWOR-DDHJBXDOSA-N 2 1 298.387 -1.182 20 0 CAADMP C[N@@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]CC(N)=O)C2)C1 ZINC001020045814 657283814 /nfs/dbraw/zinc/28/38/14/657283814.db2.gz MMMNYUYXPUSYTM-OPRDCNLKSA-N 2 1 270.333 -1.961 20 0 CAADMP C[N@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]CC(N)=O)C2)C1 ZINC001020045814 657283821 /nfs/dbraw/zinc/28/38/21/657283821.db2.gz MMMNYUYXPUSYTM-OPRDCNLKSA-N 2 1 270.333 -1.961 20 0 CAADMP CC[C@@H]([NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1)C(N)=O ZINC001020045464 657284644 /nfs/dbraw/zinc/28/46/44/657284644.db2.gz BUTGAHIWCYNWOR-KKOKHZNYSA-N 2 1 298.387 -1.182 20 0 CAADMP CC[C@@H]([NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1)C(N)=O ZINC001020045464 657284648 /nfs/dbraw/zinc/28/46/48/657284648.db2.gz BUTGAHIWCYNWOR-KKOKHZNYSA-N 2 1 298.387 -1.182 20 0 CAADMP C[C@H]([NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1)C(N)=O ZINC001020287193 657292721 /nfs/dbraw/zinc/29/27/21/657292721.db2.gz XAMTUOSRLVMMAL-IYKVGLELSA-N 2 1 298.387 -1.184 20 0 CAADMP C[C@H]([NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1)C(N)=O ZINC001020287193 657292727 /nfs/dbraw/zinc/29/27/27/657292727.db2.gz XAMTUOSRLVMMAL-IYKVGLELSA-N 2 1 298.387 -1.184 20 0 CAADMP C[NH+](C)CCC(=O)N[C@@H]1[C@H]2C[N@H+](CC(N)=O)C[C@H]21 ZINC001114774972 782213626 /nfs/dbraw/zinc/21/36/26/782213626.db2.gz XQJDDMNVSIOZPI-GDGBQDQQSA-N 2 1 254.334 -1.530 20 0 CAADMP C[NH+](C)CCC(=O)N[C@@H]1[C@H]2C[N@@H+](CC(N)=O)C[C@H]21 ZINC001114774972 782213635 /nfs/dbraw/zinc/21/36/35/782213635.db2.gz XQJDDMNVSIOZPI-GDGBQDQQSA-N 2 1 254.334 -1.530 20 0 CAADMP C[C@@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[NH+](C)C ZINC001114778242 782213965 /nfs/dbraw/zinc/21/39/65/782213965.db2.gz HGBCSYLCEBTAAI-UXCLJVHYSA-N 2 1 268.361 -1.142 20 0 CAADMP C[C@@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[NH+](C)C ZINC001114778242 782213975 /nfs/dbraw/zinc/21/39/75/782213975.db2.gz HGBCSYLCEBTAAI-UXCLJVHYSA-N 2 1 268.361 -1.142 20 0 CAADMP COC[C@@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[NH+](C)C ZINC001114778127 782214092 /nfs/dbraw/zinc/21/40/92/782214092.db2.gz FSEWQQAFKHOGIZ-CIQGVGRVSA-N 2 1 285.388 -1.008 20 0 CAADMP CN(C(=O)[C@H]1CCC[NH+]1C)[C@H]1C[N@@H+](CCCO)C[C@@H]1O ZINC001047323957 782460375 /nfs/dbraw/zinc/46/03/75/782460375.db2.gz DEMXUYOPTUUQDK-AGIUHOORSA-N 2 1 285.388 -1.034 20 0 CAADMP CN(C(=O)[C@H]1CCC[N@@H+]1C)[C@H]1C[NH+](CCCO)C[C@@H]1O ZINC001047323957 782460376 /nfs/dbraw/zinc/46/03/76/782460376.db2.gz DEMXUYOPTUUQDK-AGIUHOORSA-N 2 1 285.388 -1.034 20 0 CAADMP CN(C(=O)[C@H]1CCC[N@H+]1C)[C@H]1C[NH+](CCCO)C[C@@H]1O ZINC001047323957 782460377 /nfs/dbraw/zinc/46/03/77/782460377.db2.gz DEMXUYOPTUUQDK-AGIUHOORSA-N 2 1 285.388 -1.034 20 0 CAADMP C[C@@H]1[C@H](C(=O)N(C)[C@H]2C[NH+](CCO)C[C@@H]2O)CC[N@H+]1C ZINC001047385062 782472911 /nfs/dbraw/zinc/47/29/11/782472911.db2.gz WPMXRSMSBLAMSV-NDBYEHHHSA-N 2 1 285.388 -1.178 20 0 CAADMP C[C@@H]1[C@H](C(=O)N(C)[C@H]2C[N@H+](CCO)C[C@@H]2O)CC[NH+]1C ZINC001047385062 782472914 /nfs/dbraw/zinc/47/29/14/782472914.db2.gz WPMXRSMSBLAMSV-NDBYEHHHSA-N 2 1 285.388 -1.178 20 0 CAADMP C[C@@H]1[C@H](C(=O)N(C)[C@H]2C[N@@H+](CCO)C[C@@H]2O)CC[NH+]1C ZINC001047385062 782472920 /nfs/dbraw/zinc/47/29/20/782472920.db2.gz WPMXRSMSBLAMSV-NDBYEHHHSA-N 2 1 285.388 -1.178 20 0 CAADMP CN(C(=O)C[C@@H]1CC[NH+](C)C1)[C@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001047597866 782496399 /nfs/dbraw/zinc/49/63/99/782496399.db2.gz JLEXPIZMZQJQHJ-AVGNSLFASA-N 2 1 285.388 -1.176 20 0 CAADMP CN(C(=O)C[C@@H]1CC[N@H+](C)C1)[C@H]1C[NH+](CCO)C[C@@H]1O ZINC001047597866 782496403 /nfs/dbraw/zinc/49/64/03/782496403.db2.gz JLEXPIZMZQJQHJ-AVGNSLFASA-N 2 1 285.388 -1.176 20 0 CAADMP CN(C(=O)C[C@@H]1CC[N@@H+](C)C1)[C@H]1C[NH+](CCO)C[C@@H]1O ZINC001047597866 782496409 /nfs/dbraw/zinc/49/64/09/782496409.db2.gz JLEXPIZMZQJQHJ-AVGNSLFASA-N 2 1 285.388 -1.176 20 0 CAADMP CN(C(=O)[C@@H]1CC[NH+](C)C1)[C@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001047629034 782499103 /nfs/dbraw/zinc/49/91/03/782499103.db2.gz QLYBZULBNWRVAR-WOPDTQHZSA-N 2 1 271.361 -1.566 20 0 CAADMP Cc1nccn1CC(=O)N(C)[C@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001047624394 782501381 /nfs/dbraw/zinc/50/13/81/782501381.db2.gz IRDMGSXTKUFBIU-RYUDHWBXSA-N 2 1 282.344 -1.313 20 0 CAADMP CN(C(=O)[C@H]1CC[NH+](C)C1)[C@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001047629033 782500038 /nfs/dbraw/zinc/50/00/38/782500038.db2.gz QLYBZULBNWRVAR-SRVKXCTJSA-N 2 1 271.361 -1.566 20 0 CAADMP C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[NH+](CC(N)=O)C[C@@H]2C1 ZINC001048719927 782514179 /nfs/dbraw/zinc/51/41/79/782514179.db2.gz FOSNTTTVOIIPDX-GRYCIOLGSA-N 2 1 280.372 -1.044 20 0 CAADMP C[NH+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[N@@H+](CC(N)=O)C[C@@H]2C1 ZINC001048719927 782514187 /nfs/dbraw/zinc/51/41/87/782514187.db2.gz FOSNTTTVOIIPDX-GRYCIOLGSA-N 2 1 280.372 -1.044 20 0 CAADMP C[NH+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[N@H+](CC(N)=O)C[C@@H]2C1 ZINC001048719927 782514194 /nfs/dbraw/zinc/51/41/94/782514194.db2.gz FOSNTTTVOIIPDX-GRYCIOLGSA-N 2 1 280.372 -1.044 20 0 CAADMP NC(=O)C[N@@H+]1C[C@H]2CN(C(=O)C[NH+]3CCCC3)C[C@H]2C1 ZINC001049217134 782530878 /nfs/dbraw/zinc/53/08/78/782530878.db2.gz MJBUNNQRTBTCON-TXEJJXNPSA-N 2 1 280.372 -1.042 20 0 CAADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CCN3C(=O)C(=O)NC[C@@H]3C2)C1 ZINC000903456343 782532367 /nfs/dbraw/zinc/53/23/67/782532367.db2.gz HAFNSSYGDMUGSO-HBNTYKKESA-N 2 1 266.345 -1.244 20 0 CAADMP CON1CC[C@@H]([N@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)C1=O ZINC000903422459 782532661 /nfs/dbraw/zinc/53/26/61/782532661.db2.gz DJJXZHVYDHSSDN-WDEREUQCSA-N 2 1 284.360 -1.064 20 0 CAADMP CNC(=O)C[N@H+]1C[C@@H]2C[C@@H]([NH3+])C[C@]2(C(=O)OC)C1 ZINC000903492340 782534394 /nfs/dbraw/zinc/53/43/94/782534394.db2.gz AZIVSDZPIIGSOA-SBMIAAHKSA-N 2 1 255.318 -1.055 20 0 CAADMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](Cc1nnnn1C)C2 ZINC000903493562 782534692 /nfs/dbraw/zinc/53/46/92/782534692.db2.gz VBKAEXLSZRGLIH-SBMIAAHKSA-N 2 1 280.332 -1.078 20 0 CAADMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+](Cc1nnnn1C)C2 ZINC000903493562 782534696 /nfs/dbraw/zinc/53/46/96/782534696.db2.gz VBKAEXLSZRGLIH-SBMIAAHKSA-N 2 1 280.332 -1.078 20 0 CAADMP CO[C@@H](C[NH3+])C(=O)N1CCN(C)CC[N@@H+](C)CC1 ZINC001122377878 779666897 /nfs/dbraw/zinc/66/68/97/779666897.db2.gz SCUILOUJNYCLML-NSHDSACASA-N 2 1 258.366 -1.334 20 0 CAADMP [NH3+]CCNCC(=O)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC001122535658 779671874 /nfs/dbraw/zinc/67/18/74/779671874.db2.gz DSXULQIVFDNFBB-NWDGAFQWSA-N 2 1 270.377 -1.408 20 0 CAADMP [NH3+]CCNCC(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC001122535662 779672282 /nfs/dbraw/zinc/67/22/82/779672282.db2.gz DSXULQIVFDNFBB-VXGBXAGGSA-N 2 1 270.377 -1.408 20 0 CAADMP C[NH+]1CCC(C(=O)N2CN[C@H]([NH3+])[C@H]3NCN[C@H]32)CC1 ZINC001143317284 779773190 /nfs/dbraw/zinc/77/31/90/779773190.db2.gz FJJQCOHYMYVXLE-VWYCJHECSA-N 2 1 268.365 -2.153 20 0 CAADMP C[NH+]1CCC(C(=O)N2CN[C@H]([NH3+])[C@H]3NCN[C@@H]32)CC1 ZINC001143317283 779773271 /nfs/dbraw/zinc/77/32/71/779773271.db2.gz FJJQCOHYMYVXLE-OUAUKWLOSA-N 2 1 268.365 -2.153 20 0 CAADMP C[NH+]1CCC(C(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@H]32)CC1 ZINC001143317281 779773313 /nfs/dbraw/zinc/77/33/13/779773313.db2.gz FJJQCOHYMYVXLE-DCAQKATOSA-N 2 1 268.365 -2.153 20 0 CAADMP C[C@@H]1C[C@@H](NC(=O)C(=O)NC[C@@H]2COCC[NH2+]2)CC[N@H+]1C ZINC001118864233 779591478 /nfs/dbraw/zinc/59/14/78/779591478.db2.gz ANKDGEVINIUICL-GRYCIOLGSA-N 2 1 298.387 -1.310 20 0 CAADMP COC(=O)[C@H]([NH3+])[C@H]1CCCN(S(=O)(=O)CC[NH3+])C1 ZINC001239129885 780533044 /nfs/dbraw/zinc/53/30/44/780533044.db2.gz QERFGGFRDGMFME-DTWKUNHWSA-N 2 1 279.362 -1.513 20 0 CAADMP CN(C)CCN([C@H]1CCC[NH2+]C1)S(=O)(=O)CC[NH3+] ZINC001239168358 780534398 /nfs/dbraw/zinc/53/43/98/780534398.db2.gz YQGQLLDVPYJCCZ-NSHDSACASA-N 2 1 278.422 -1.110 20 0 CAADMP COC(=O)[C@@H]1C[C@H](N2CCN3CC[NH2+]C[C@H]3C2)C[NH2+]1 ZINC001246624703 780557871 /nfs/dbraw/zinc/55/78/71/780557871.db2.gz OIDJBLJSCHDEIJ-SRVKXCTJSA-N 2 1 268.361 -1.521 20 0 CAADMP COC(=O)[C@@H]1C[C@H](N2CC3(C2)C[NH2+]CCO3)C[NH2+]1 ZINC001246617453 780557902 /nfs/dbraw/zinc/55/79/02/780557902.db2.gz CDWXUAKHNVXRHG-UWVGGRQHSA-N 2 1 255.318 -1.436 20 0 CAADMP COC(=O)[C@@H]1C[C@H](N2CCOC[C@]3(C[NH2+]CCO3)C2)C[NH2+]1 ZINC001246602091 780557921 /nfs/dbraw/zinc/55/79/21/780557921.db2.gz IYRLUCUHRVKWFS-OBJOEFQTSA-N 2 1 299.371 -1.419 20 0 CAADMP COC(=O)[C@@H]1C[C@H](N2CCO[C@@H]3C[NH2+]C[C@H]32)C[NH2+]1 ZINC001246624362 780558041 /nfs/dbraw/zinc/55/80/41/780558041.db2.gz DRGJTCBDJOGNHF-UKKRHICBSA-N 2 1 255.318 -1.438 20 0 CAADMP COC(=O)[C@@H]1C[C@H](N2CCN3CC[NH2+]C[C@@H]3C2)C[NH2+]1 ZINC001246624712 780558067 /nfs/dbraw/zinc/55/80/67/780558067.db2.gz OIDJBLJSCHDEIJ-TUAOUCFPSA-N 2 1 268.361 -1.521 20 0 CAADMP C1NCC12C[N@@H+]([C@@H]1CCNC3(C[NH2+]C3)C1)CCO2 ZINC001246620656 780558189 /nfs/dbraw/zinc/55/81/89/780558189.db2.gz LBQFMTIOQNLLJD-LLVKDONJSA-N 2 1 252.362 -1.245 20 0 CAADMP C1NCC12C[N@H+]([C@@H]1CCNC3(C[NH2+]C3)C1)CCO2 ZINC001246620656 780558195 /nfs/dbraw/zinc/55/81/95/780558195.db2.gz LBQFMTIOQNLLJD-LLVKDONJSA-N 2 1 252.362 -1.245 20 0 CAADMP CCOC(=O)[C@@H]1C[NH2+]CCN1[C@@H]1C[NH2+][C@H](C(=O)OC)C1 ZINC001246601216 780558260 /nfs/dbraw/zinc/55/82/60/780558260.db2.gz IREBAESGBHUQQB-DCAQKATOSA-N 2 1 285.344 -1.273 20 0 CAADMP COC(=O)[C@@H]1C[C@H](N2CC[NH2+]C[C@@]23CC[NH2+]C3)CCN1 ZINC001246623740 780558274 /nfs/dbraw/zinc/55/82/74/780558274.db2.gz KUNFMPMJGNOAIB-DYEKYZERSA-N 2 1 282.388 -1.083 20 0 CAADMP O=S1(=O)CC[C@@H](N2CC[NH2+]C[C@@]23CC[NH2+]C3)C1 ZINC001246622054 780558497 /nfs/dbraw/zinc/55/84/97/780558497.db2.gz GDLPQVXTWNBTAL-MNOVXSKESA-N 2 1 259.375 -1.189 20 0 CAADMP COC(=O)[C@@H]1C[C@H](N2CCOC3(C[NH2+]C3)C2)C[NH2+]1 ZINC001246619007 780558716 /nfs/dbraw/zinc/55/87/16/780558716.db2.gz GNBJIMIKTAUOEL-UWVGGRQHSA-N 2 1 255.318 -1.436 20 0 CAADMP COC(=O)[C@H]1C[C@@H](N2CC[NH2+][C@H]3CC[NH2+]CC[C@@H]32)CN1 ZINC001246616838 780558793 /nfs/dbraw/zinc/55/87/93/780558793.db2.gz FMBSQTOXSWZEHX-XQHKEYJVSA-N 2 1 282.388 -1.084 20 0 CAADMP C1NCC12C[N@@H+]([C@H]1CCNC3(C[NH2+]C3)C1)CCO2 ZINC001246620659 780558844 /nfs/dbraw/zinc/55/88/44/780558844.db2.gz LBQFMTIOQNLLJD-NSHDSACASA-N 2 1 252.362 -1.245 20 0 CAADMP C1NCC12C[N@H+]([C@H]1CCNC3(C[NH2+]C3)C1)CCO2 ZINC001246620659 780558851 /nfs/dbraw/zinc/55/88/51/780558851.db2.gz LBQFMTIOQNLLJD-NSHDSACASA-N 2 1 252.362 -1.245 20 0 CAADMP CCOC(=O)[C@H]1C[NH2+]CCN1[C@H]1C[NH2+][C@H](C(=O)OC)C1 ZINC001246601251 780558892 /nfs/dbraw/zinc/55/88/92/780558892.db2.gz IREBAESGBHUQQB-OUAUKWLOSA-N 2 1 285.344 -1.273 20 0 CAADMP C1[NH2+]CC12C[C@H]([N@H+]1CCOC[C@@]3(CNCCO3)C1)CCN2 ZINC001246601129 780558983 /nfs/dbraw/zinc/55/89/83/780558983.db2.gz GWKQNTLTTFMTDT-UKRRQHHQSA-N 2 1 296.415 -1.229 20 0 CAADMP COC[C@H]1CN([C@@H]2C[NH2+][C@H](C(=O)OC)C2)CC[NH2+]1 ZINC001246590859 780559028 /nfs/dbraw/zinc/55/90/28/780559028.db2.gz DDUCJIDRXNTXRB-VWYCJHECSA-N 2 1 257.334 -1.190 20 0 CAADMP COC(=O)[C@@H]1C[C@@H](N2CC[NH2+][C@H]3CC[NH2+]CC[C@@H]32)CN1 ZINC001246616835 780559245 /nfs/dbraw/zinc/55/92/45/780559245.db2.gz FMBSQTOXSWZEHX-VOAKCMCISA-N 2 1 282.388 -1.084 20 0 CAADMP C1[NH2+]CC12C[C@@H]([N@H+]1CCOC[C@]3(CNCCO3)C1)CCN2 ZINC001246601132 780559266 /nfs/dbraw/zinc/55/92/66/780559266.db2.gz GWKQNTLTTFMTDT-ZFWWWQNUSA-N 2 1 296.415 -1.229 20 0 CAADMP CS(=O)(=O)N1CCC([N@H+](CCN)CCO)CC1 ZINC001257224752 780628054 /nfs/dbraw/zinc/62/80/54/780628054.db2.gz FOADQNMJVISELH-UHFFFAOYSA-N 2 1 265.379 -1.337 20 0 CAADMP CS(=O)(=O)N1CCC([N@@H+](CCN)CCO)CC1 ZINC001257224752 780628056 /nfs/dbraw/zinc/62/80/56/780628056.db2.gz FOADQNMJVISELH-UHFFFAOYSA-N 2 1 265.379 -1.337 20 0 CAADMP CC(C)[NH+]1CCC(N2CN[C@H]([NH3+])[C@@H]3NCN[C@@H]32)CC1 ZINC001257212810 780628214 /nfs/dbraw/zinc/62/82/14/780628214.db2.gz CEORSMVOSNRZPK-RWMBFGLXSA-N 2 1 268.409 -1.148 20 0 CAADMP CC(C)[NH+]1CCC(N2CN[C@H]([NH3+])[C@H]3NCN[C@@H]32)CC1 ZINC001257212809 780628270 /nfs/dbraw/zinc/62/82/70/780628270.db2.gz CEORSMVOSNRZPK-FRRDWIJNSA-N 2 1 268.409 -1.148 20 0 CAADMP COC(=O)[C@H](CCC[NH3+])NC(=O)[C@@H]1C[C@H](N)C[NH2+]1 ZINC001221190517 780405204 /nfs/dbraw/zinc/40/52/04/780405204.db2.gz QLTXCNCGKSAPOQ-CIUDSAMLSA-N 2 1 258.322 -1.928 20 0 CAADMP COC(=O)[C@H](CCC[NH3+])NC(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H](N)C2 ZINC001221187581 780406261 /nfs/dbraw/zinc/40/62/61/780406261.db2.gz ANXNJWBHAFESMR-DNJQJEMRSA-N 2 1 284.360 -1.395 20 0 CAADMP C[C@@H]1CC[NH2+][C@H](C(=O)N2CN[C@H]([NH3+])[C@H]3NCN[C@H]32)C1 ZINC001221264957 780409659 /nfs/dbraw/zinc/40/96/59/780409659.db2.gz DCBCBICGENLBKS-XXFSISAASA-N 2 1 268.365 -2.106 20 0 CAADMP C[C@@H]1CC[NH2+][C@H](C(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@H]32)C1 ZINC001221264954 780409714 /nfs/dbraw/zinc/40/97/14/780409714.db2.gz DCBCBICGENLBKS-NMUGVGKYSA-N 2 1 268.365 -2.106 20 0 CAADMP [NH3+][C@@H]1NCN(C(=O)CC2CC[NH2+]CC2)[C@H]2NCN[C@H]21 ZINC001221265101 780409860 /nfs/dbraw/zinc/40/98/60/780409860.db2.gz GTSCASICYGTZMQ-QJPTWQEYSA-N 2 1 268.365 -2.105 20 0 CAADMP [NH3+][C@H](C(=O)N1CN[C@@H]([NH3+])[C@H]2NCN[C@H]21)C1CCCCC1 ZINC001221265186 780409959 /nfs/dbraw/zinc/40/99/59/780409959.db2.gz HUBLIQIGLKVWGA-QCNOEVLYSA-N 2 1 282.392 -1.587 20 0 CAADMP [NH3+][C@@H]1NCN(C(=O)C23CCC([NH3+])(CC2)CC3)[C@@H]2NCN[C@H]21 ZINC001221264918 780410022 /nfs/dbraw/zinc/41/00/22/780410022.db2.gz CJLLOCNCCROISJ-LNRGQDRPSA-N 2 1 294.403 -1.443 20 0 CAADMP [NH3+][C@@H]1NCN(C(=O)CN2CC[NH2+]CC2)[C@@H]2NCN[C@@H]21 ZINC001221264967 780410145 /nfs/dbraw/zinc/41/01/45/780410145.db2.gz DGPHKQZZHVOXMU-MXWKQRLJSA-N 2 1 269.353 -3.589 20 0 CAADMP [NH3+][C@@H](CC1CCC1)C(=O)N1CN[C@@H]([NH3+])[C@@H]2NCN[C@H]21 ZINC001221264969 780410190 /nfs/dbraw/zinc/41/01/90/780410190.db2.gz DGSKDAQRHLGIJW-MMWGEVLESA-N 2 1 268.365 -1.977 20 0 CAADMP CC(C)C[C@@](C)([NH3+])C(=O)N1CN[C@H]([NH3+])[C@H]2NCN[C@H]21 ZINC001221265131 780410199 /nfs/dbraw/zinc/41/01/99/780410199.db2.gz HCTPVDOTUFQCPW-FYLLDIAZSA-N 2 1 270.381 -1.731 20 0 CAADMP [NH3+][C@@H](CC1CCC1)C(=O)N1CN[C@@H]([NH3+])[C@H]2NCN[C@@H]21 ZINC001221264968 780410441 /nfs/dbraw/zinc/41/04/41/780410441.db2.gz DGSKDAQRHLGIJW-LNFKQOIKSA-N 2 1 268.365 -1.977 20 0 CAADMP C[C@@H]1CC[NH2+][C@H](C(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@@H]32)C1 ZINC001221264956 780410688 /nfs/dbraw/zinc/41/06/88/780410688.db2.gz DCBCBICGENLBKS-ORMBPQIASA-N 2 1 268.365 -2.106 20 0 CAADMP C[C@@H]1CC[NH2+][C@H](C(=O)N2CN[C@H]([NH3+])[C@H]3NCN[C@@H]32)C1 ZINC001221264955 780410721 /nfs/dbraw/zinc/41/07/21/780410721.db2.gz DCBCBICGENLBKS-NZHYYXIDSA-N 2 1 268.365 -2.106 20 0 CAADMP [NH3+]Cc1ccccc1C(=O)N1CN[C@H]([NH3+])[C@@H]2NCN[C@H]21 ZINC001221269113 780412777 /nfs/dbraw/zinc/41/27/77/780412777.db2.gz HXZNXWJGRXJBMT-SRVKXCTJSA-N 2 1 276.344 -1.722 20 0 CAADMP [NH3+]Cc1cccc(C(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@@H]32)c1 ZINC001221269859 780413101 /nfs/dbraw/zinc/41/31/01/780413101.db2.gz ZQFQTWXAJBHUME-SDDRHHMPSA-N 2 1 276.344 -1.722 20 0 CAADMP [NH3+]Cc1cccc(C(=O)N2CN[C@H]([NH3+])[C@H]3NCN[C@@H]32)c1 ZINC001221269858 780413277 /nfs/dbraw/zinc/41/32/77/780413277.db2.gz ZQFQTWXAJBHUME-GRYCIOLGSA-N 2 1 276.344 -1.722 20 0 CAADMP C[NH+]1CCN(C(=O)CCNS(=O)(=O)CC[NH3+])CC1 ZINC001238563576 780518356 /nfs/dbraw/zinc/51/83/56/780518356.db2.gz LLNYOKPJVLWUFV-UHFFFAOYSA-N 2 1 278.378 -1.971 20 0 CAADMP CC[NH+]1CCN(C[C@@H](C)CNC(=O)CNCC[NH3+])CC1 ZINC001263103241 780719907 /nfs/dbraw/zinc/71/99/07/780719907.db2.gz TVTAWQKSQYJTDY-ZDUSSCGKSA-N 2 1 285.436 -1.076 20 0 CAADMP [NH3+]CCNCC(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC001263105274 780720020 /nfs/dbraw/zinc/72/00/20/780720020.db2.gz JTBSUPONXDDUEX-LLVKDONJSA-N 2 1 283.376 -2.043 20 0 CAADMP CCN1CC[NH+](CCCNC(=O)C[C@@H](O)C[NH3+])CC1 ZINC001263103047 780720042 /nfs/dbraw/zinc/72/00/42/780720042.db2.gz MJTLZIOPIJXMKG-GFCCVEGCSA-N 2 1 272.393 -1.160 20 0 CAADMP CC1(C)C[N@H+](CCNC(=O)C[C@@H](O)C[NH3+])CCO1 ZINC001263098045 780720227 /nfs/dbraw/zinc/72/02/27/780720227.db2.gz QDNBALMRORCHJX-SNVBAGLBSA-N 2 1 259.350 -1.077 20 0 CAADMP CC1(C)C[N@@H+](CCNC(=O)C[C@@H](O)C[NH3+])CCO1 ZINC001263098045 780720229 /nfs/dbraw/zinc/72/02/29/780720229.db2.gz QDNBALMRORCHJX-SNVBAGLBSA-N 2 1 259.350 -1.077 20 0 CAADMP COC(=O)[C@@H]1C[N@H+]([C@H]2CCNC3(C[NH2+]C3)C2)CCO1 ZINC001246565127 781454280 /nfs/dbraw/zinc/45/42/80/781454280.db2.gz ACEWGEIMMGLFCK-QWRGUYRKSA-N 2 1 269.345 -1.046 20 0 CAADMP C[C@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)[NH2+]CC(N)=O ZINC001265761153 782658081 /nfs/dbraw/zinc/65/80/81/782658081.db2.gz OLUJAKAAQFYOKJ-RKDXNWHRSA-N 2 1 258.322 -2.103 20 0 CAADMP C[C@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)[NH2+]CC(N)=O ZINC001265761153 782658084 /nfs/dbraw/zinc/65/80/84/782658084.db2.gz OLUJAKAAQFYOKJ-RKDXNWHRSA-N 2 1 258.322 -2.103 20 0 CAADMP C[N@@H+]1CC[C@H](C(=O)N2CC3(C2)CC[NH+](CC(N)=O)C3)C1 ZINC001073425705 782790611 /nfs/dbraw/zinc/79/06/11/782790611.db2.gz FPZMXEFCJXJSCG-NSHDSACASA-N 2 1 280.372 -1.042 20 0 CAADMP C[N@H+]1CC[C@H](C(=O)N2CC3(C2)CC[NH+](CC(N)=O)C3)C1 ZINC001073425705 782790620 /nfs/dbraw/zinc/79/06/20/782790620.db2.gz FPZMXEFCJXJSCG-NSHDSACASA-N 2 1 280.372 -1.042 20 0 CAADMP C[NH+]1CC[C@H](C(=O)N2CC3(C2)CC[N@H+](CC(N)=O)C3)C1 ZINC001073425705 782790626 /nfs/dbraw/zinc/79/06/26/782790626.db2.gz FPZMXEFCJXJSCG-NSHDSACASA-N 2 1 280.372 -1.042 20 0 CAADMP C[NH+]1CC[C@H](C(=O)N2CC3(C2)CC[N@@H+](CC(N)=O)C3)C1 ZINC001073425705 782790632 /nfs/dbraw/zinc/79/06/32/782790632.db2.gz FPZMXEFCJXJSCG-NSHDSACASA-N 2 1 280.372 -1.042 20 0 CAADMP C[NH+](C)CC1(C(=O)N[C@@H]2CC[N@@H+](CCO)C[C@@H]2O)CC1 ZINC001099971879 782844636 /nfs/dbraw/zinc/84/46/36/782844636.db2.gz NQAIKMNRHMXHEJ-NEPJUHHUSA-N 2 1 285.388 -1.128 20 0 CAADMP C[NH+](C)CCCC(=O)N[C@H]1CC[N@@H+](CCO)C[C@H]1O ZINC001099974186 782845015 /nfs/dbraw/zinc/84/50/15/782845015.db2.gz ODUGGNIZGCURPS-NWDGAFQWSA-N 2 1 273.377 -1.128 20 0 CAADMP C[NH+](C)CCC(=O)N[C@@H]1CC[N@@H+](CCCO)C[C@H]1O ZINC001099988256 782847345 /nfs/dbraw/zinc/84/73/45/782847345.db2.gz FVWGTARKHQXXAQ-VXGBXAGGSA-N 2 1 273.377 -1.128 20 0 CAADMP C[NH+](C)CC1(C(=O)N[C@H]2CC[N@@H+](CCO)C[C@@H]2O)CC1 ZINC001099971881 782846134 /nfs/dbraw/zinc/84/61/34/782846134.db2.gz NQAIKMNRHMXHEJ-RYUDHWBXSA-N 2 1 285.388 -1.128 20 0 CAADMP C[NH+](C)CCC(=O)N[C@H]1CC[N@@H+](CCCO)C[C@@H]1O ZINC001099988255 782847039 /nfs/dbraw/zinc/84/70/39/782847039.db2.gz FVWGTARKHQXXAQ-RYUDHWBXSA-N 2 1 273.377 -1.128 20 0 CAADMP C[NH+](C)CCC(=O)N[C@@H]1CC[N@@H+](CCO)C[C@@H]1O ZINC001099988122 782847137 /nfs/dbraw/zinc/84/71/37/782847137.db2.gz CMMQLILGXWMAHX-MNOVXSKESA-N 2 1 259.350 -1.518 20 0 CAADMP CC[NH+](CC)CC(=O)N[C@@H]1CC[N@@H+](CCO)C[C@H]1O ZINC001100042088 782848962 /nfs/dbraw/zinc/84/89/62/782848962.db2.gz SVELYLIISDMRHU-VXGBXAGGSA-N 2 1 273.377 -1.128 20 0 CAADMP C[NH+](C)CCOCC(=O)N[C@@H]1CC[N@@H+](CCO)C[C@H]1O ZINC001100074270 782851954 /nfs/dbraw/zinc/85/19/54/782851954.db2.gz KPEQMVQZGCDLGV-VXGBXAGGSA-N 2 1 289.376 -1.892 20 0 CAADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CC[NH+](CCO)C[C@H]1O ZINC001100067431 782852046 /nfs/dbraw/zinc/85/20/46/782852046.db2.gz RMAWJWFVYVUYRH-VXGBXAGGSA-N 2 1 273.377 -1.128 20 0 CAADMP CC[NH+](C)CCC(=O)N[C@@H]1CC[N@H+](CCO)C[C@H]1O ZINC001100067431 782852048 /nfs/dbraw/zinc/85/20/48/782852048.db2.gz RMAWJWFVYVUYRH-VXGBXAGGSA-N 2 1 273.377 -1.128 20 0 CAADMP CC[NH+](C)CCC(=O)N[C@@H]1CC[N@@H+](CCO)C[C@H]1O ZINC001100067431 782852055 /nfs/dbraw/zinc/85/20/55/782852055.db2.gz RMAWJWFVYVUYRH-VXGBXAGGSA-N 2 1 273.377 -1.128 20 0 CAADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CC[NH+](CCO)C[C@H]1O ZINC001100080127 782852150 /nfs/dbraw/zinc/85/21/50/782852150.db2.gz DURPOJVYQATREV-VXGBXAGGSA-N 2 1 273.377 -1.128 20 0 CAADMP CCC[NH+](C)CC(=O)N[C@@H]1CC[N@H+](CCO)C[C@H]1O ZINC001100080127 782852159 /nfs/dbraw/zinc/85/21/59/782852159.db2.gz DURPOJVYQATREV-VXGBXAGGSA-N 2 1 273.377 -1.128 20 0 CAADMP CCC[NH+](C)CC(=O)N[C@@H]1CC[N@@H+](CCO)C[C@H]1O ZINC001100080127 782852165 /nfs/dbraw/zinc/85/21/65/782852165.db2.gz DURPOJVYQATREV-VXGBXAGGSA-N 2 1 273.377 -1.128 20 0 CAADMP [NH3+][C@@H]1NCN(C2CC[NH+](C3CC3)CC2)[C@H]2NCN[C@H]21 ZINC001256073693 782858040 /nfs/dbraw/zinc/85/80/40/782858040.db2.gz AFJDXHNRTYNIMQ-YNEHKIRRSA-N 2 1 266.393 -1.394 20 0 CAADMP NC(=O)C[NH2+]C1CC(CNC(=O)CC[NH+]2CCOCC2)C1 ZINC001100758975 782861532 /nfs/dbraw/zinc/86/15/32/782861532.db2.gz XSHZDOABZIKYBI-UHFFFAOYSA-N 2 1 298.387 -1.322 20 0 CAADMP C[C@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)COCC[NH+](C)C ZINC001115125641 782879586 /nfs/dbraw/zinc/87/95/86/782879586.db2.gz ACEDCXPOGPJFDE-CIQGVGRVSA-N 2 1 285.388 -1.008 20 0 CAADMP C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1[C@H]2C[N@@H+](CCO)C[C@H]21 ZINC001115245312 782880663 /nfs/dbraw/zinc/88/06/63/782880663.db2.gz PERRDPGEPFEYMM-IGQOVBAYSA-N 2 1 297.399 -1.007 20 0 CAADMP CC(C)[N@H+](C)CC(=O)N[C@@H]1[C@H]2C[NH+](CC(N)=O)C[C@H]21 ZINC001115303352 782881652 /nfs/dbraw/zinc/88/16/52/782881652.db2.gz BKPXXPUJUOWAFF-IWIIMEHWSA-N 2 1 268.361 -1.142 20 0 CAADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1[C@H]2C[NH+](CC(N)=O)C[C@H]21 ZINC001115303352 782881656 /nfs/dbraw/zinc/88/16/56/782881656.db2.gz BKPXXPUJUOWAFF-IWIIMEHWSA-N 2 1 268.361 -1.142 20 0 CAADMP CC(C)[NH+](C)CC(=O)N[C@@H]1[C@H]2C[N@H+](CC(N)=O)C[C@H]21 ZINC001115303352 782881662 /nfs/dbraw/zinc/88/16/62/782881662.db2.gz BKPXXPUJUOWAFF-IWIIMEHWSA-N 2 1 268.361 -1.142 20 0 CAADMP CC(C)[NH+](C)CC(=O)N[C@@H]1[C@H]2C[N@@H+](CC(N)=O)C[C@H]21 ZINC001115303352 782881667 /nfs/dbraw/zinc/88/16/67/782881667.db2.gz BKPXXPUJUOWAFF-IWIIMEHWSA-N 2 1 268.361 -1.142 20 0 CAADMP CN(CC[NH2+]CC(=O)NC(N)=O)C(=O)[C@H]1CCC[N@H+]1C ZINC001266660954 775159049 /nfs/dbraw/zinc/15/90/49/775159049.db2.gz XXSHXXNJZLQCAV-SECBINFHSA-N 2 1 285.348 -1.677 20 0 CAADMP CN(CC[NH2+]CC(=O)NC(N)=O)C(=O)[C@@H]1CCC[N@H+]1C ZINC001266660955 775159550 /nfs/dbraw/zinc/15/95/50/775159550.db2.gz XXSHXXNJZLQCAV-VIFPVBQESA-N 2 1 285.348 -1.677 20 0 CAADMP CNC(=O)C[NH2+]CCN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001267071492 775198735 /nfs/dbraw/zinc/19/87/35/775198735.db2.gz HOGAZUZXIVSVCJ-JTQLQIEISA-N 2 1 256.350 -1.268 20 0 CAADMP C[C@@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)[NH2+]CCCO ZINC001266929746 775186083 /nfs/dbraw/zinc/18/60/83/775186083.db2.gz JEFKEFBWHIOMCY-QWRGUYRKSA-N 2 1 259.350 -1.206 20 0 CAADMP C[C@@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)[NH2+]CCCO ZINC001266929746 775186091 /nfs/dbraw/zinc/18/60/91/775186091.db2.gz JEFKEFBWHIOMCY-QWRGUYRKSA-N 2 1 259.350 -1.206 20 0 CAADMP C[C@@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)[NH2+]CCCO ZINC001266929748 775186650 /nfs/dbraw/zinc/18/66/50/775186650.db2.gz JEFKEFBWHIOMCY-WDEREUQCSA-N 2 1 259.350 -1.206 20 0 CAADMP C[C@@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)[NH2+]CCCO ZINC001266929748 775186656 /nfs/dbraw/zinc/18/66/56/775186656.db2.gz JEFKEFBWHIOMCY-WDEREUQCSA-N 2 1 259.350 -1.206 20 0 CAADMP CNC(=O)C[NH2+]CCN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001267071494 775198388 /nfs/dbraw/zinc/19/83/88/775198388.db2.gz HOGAZUZXIVSVCJ-SNVBAGLBSA-N 2 1 256.350 -1.268 20 0 CAADMP [NH3+]CC[C@H]([NH3+])C(=O)N1CCO[C@@H](C[NH+]2CCCC2)C1 ZINC001161389211 775201560 /nfs/dbraw/zinc/20/15/60/775201560.db2.gz PGCOGFSDIUNPFF-RYUDHWBXSA-N 3 1 270.377 -1.014 20 0 CAADMP C[C@@H]1[C@H](C(=O)N(C)CC[NH2+]CC(N)=O)CC[N@H+]1C ZINC001267374611 775235919 /nfs/dbraw/zinc/23/59/19/775235919.db2.gz HDDPWPRXRXSSOD-NXEZZACHSA-N 2 1 256.350 -1.140 20 0 CAADMP CNC(=O)C[NH2+]CCN(CCO)C(=O)[C@H]1CCC[N@H+]1C ZINC001279672160 775240911 /nfs/dbraw/zinc/24/09/11/775240911.db2.gz FACUPROBQPZTGR-LLVKDONJSA-N 2 1 286.376 -1.763 20 0 CAADMP COC[C@@H](O)C[NH2+]CCN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001267470442 775248788 /nfs/dbraw/zinc/24/87/88/775248788.db2.gz XBLLEWZEYXAEFL-RYUDHWBXSA-N 2 1 273.377 -1.007 20 0 CAADMP C[N@H+]1CC[C@H](C(=O)N2CCO[C@@H]3CN(CCO)C[C@@H]32)C1 ZINC001083275005 775255052 /nfs/dbraw/zinc/25/50/52/775255052.db2.gz KWUHYWORKKHGSP-RWMBFGLXSA-N 2 1 283.372 -1.158 20 0 CAADMP C[N@@H+]1CC[C@H](C(=O)N2CCO[C@@H]3C[NH+](CCO)C[C@@H]32)C1 ZINC001083275005 775255062 /nfs/dbraw/zinc/25/50/62/775255062.db2.gz KWUHYWORKKHGSP-RWMBFGLXSA-N 2 1 283.372 -1.158 20 0 CAADMP C[N@H+]1CC[C@H](C(=O)N2CCO[C@@H]3C[NH+](CCO)C[C@@H]32)C1 ZINC001083275005 775255065 /nfs/dbraw/zinc/25/50/65/775255065.db2.gz KWUHYWORKKHGSP-RWMBFGLXSA-N 2 1 283.372 -1.158 20 0 CAADMP C[NH+]1CC[C@H](C(=O)N2CCO[C@@H]3C[N@H+](CCO)C[C@@H]32)C1 ZINC001083275005 775255074 /nfs/dbraw/zinc/25/50/74/775255074.db2.gz KWUHYWORKKHGSP-RWMBFGLXSA-N 2 1 283.372 -1.158 20 0 CAADMP C[NH+]1CC[C@H](C(=O)N2CCO[C@@H]3C[N@@H+](CCO)C[C@@H]32)C1 ZINC001083275005 775255081 /nfs/dbraw/zinc/25/50/81/775255081.db2.gz KWUHYWORKKHGSP-RWMBFGLXSA-N 2 1 283.372 -1.158 20 0 CAADMP C[NH+](C)CCC(=O)NCC1C[NH+]([C@H]2CCC(=O)NC2=O)C1 ZINC001267691744 775286084 /nfs/dbraw/zinc/28/60/84/775286084.db2.gz SZRRRVVQOPUMBH-NSHDSACASA-N 2 1 296.371 -1.209 20 0 CAADMP C[NH+](C)CCC(=O)NCC1C[NH+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001267691743 775286361 /nfs/dbraw/zinc/28/63/61/775286361.db2.gz SZRRRVVQOPUMBH-LLVKDONJSA-N 2 1 296.371 -1.209 20 0 CAADMP [NH3+][C@@H]1NCN(C(=O)CC2CC[NH2+]CC2)[C@@H]2NCN[C@@H]21 ZINC001221265103 775302581 /nfs/dbraw/zinc/30/25/81/775302581.db2.gz GTSCASICYGTZMQ-UTUOFQBUSA-N 2 1 268.365 -2.105 20 0 CAADMP [NH3+]CC(=O)NCC(=O)NCCC[NH+]1CCOCC1 ZINC000037626124 775318831 /nfs/dbraw/zinc/31/88/31/775318831.db2.gz YRHKNCRBVQPBQA-UHFFFAOYSA-N 2 1 258.322 -2.100 20 0 CAADMP C[N@@H+](C1CN(C(=O)[C@H]2C[NH2+]C[C@@H]2O)C1)[C@H]1CCOC1 ZINC001161497765 775318028 /nfs/dbraw/zinc/31/80/28/775318028.db2.gz DGGICGJJCOTFID-DLOVCJGASA-N 2 1 269.345 -1.502 20 0 CAADMP C[N@@H+](C1CN(C(=O)C[C@H](O)C[NH3+])C1)[C@H]1CCOC1 ZINC001161498065 775318421 /nfs/dbraw/zinc/31/84/21/775318421.db2.gz HEWSOAIDWHCVHL-ONGXEEELSA-N 2 1 257.334 -1.372 20 0 CAADMP C[C@@H](CNC(=O)[C@H]1CCC[N@H+]1C)C[NH2+]CC(N)=O ZINC001267982536 775322818 /nfs/dbraw/zinc/32/28/18/775322818.db2.gz WFBJXSLIDYCHIU-NXEZZACHSA-N 2 1 256.350 -1.092 20 0 CAADMP C[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)C[NH2+]CC(N)=O ZINC001268013889 775330178 /nfs/dbraw/zinc/33/01/78/775330178.db2.gz HAAMCVIXWGRNJZ-UWVGGRQHSA-N 2 1 256.350 -1.235 20 0 CAADMP C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)C[NH2+]CC(N)=O ZINC001268013888 775330212 /nfs/dbraw/zinc/33/02/12/775330212.db2.gz HAAMCVIXWGRNJZ-NXEZZACHSA-N 2 1 256.350 -1.235 20 0 CAADMP C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)C[NH2+]CC(N)=O ZINC001268013890 775331283 /nfs/dbraw/zinc/33/12/83/775331283.db2.gz HAAMCVIXWGRNJZ-VHSXEESVSA-N 2 1 256.350 -1.235 20 0 CAADMP CN1CC2(C1)CN(C(=O)[C@H]1C[NH2+]CC13C[NH2+]C3)C2 ZINC001161532618 775357701 /nfs/dbraw/zinc/35/77/01/775357701.db2.gz VSPZRDZLMKZEGG-SNVBAGLBSA-N 2 1 250.346 -1.431 20 0 CAADMP O=C(CC[NH+]1CCOCC1)NC[C@@H](O)C[NH2+]CCF ZINC001268329181 775405546 /nfs/dbraw/zinc/40/55/46/775405546.db2.gz SMYJAKHQAOJXPI-NSHDSACASA-N 2 1 277.340 -1.255 20 0 CAADMP C[N@H+]1CC[C@@H](C(=O)NC[C@H](O)C[NH2+]CCCO)C1 ZINC001268335760 775408433 /nfs/dbraw/zinc/40/84/33/775408433.db2.gz OZVGFLALASIDEY-GHMZBOCLSA-N 2 1 259.350 -1.613 20 0 CAADMP C[N@H+]1CC[C@@H](C(=O)NC2CN(CCOCCO)C2)C1 ZINC001268485280 775421447 /nfs/dbraw/zinc/42/14/47/775421447.db2.gz PWZYVTQCUWHINQ-LLVKDONJSA-N 2 1 271.361 -1.253 20 0 CAADMP C[N@H+]1CC[C@H](C(=O)NC2CN(CCOCCO)C2)C1 ZINC001268485284 775422809 /nfs/dbraw/zinc/42/28/09/775422809.db2.gz PWZYVTQCUWHINQ-NSHDSACASA-N 2 1 271.361 -1.253 20 0 CAADMP CC[N@@H+]1CCO[C@H](C(=O)NC/C=C\C[NH2+]CC(N)=O)C1 ZINC001268628376 775459334 /nfs/dbraw/zinc/45/93/34/775459334.db2.gz MTOSUOOUGUTRPI-BYCRGOAPSA-N 2 1 284.360 -1.546 20 0 CAADMP CC[N@H+]1CCO[C@H](C(=O)NC/C=C\C[NH2+]CC(N)=O)C1 ZINC001268628376 775459337 /nfs/dbraw/zinc/45/93/37/775459337.db2.gz MTOSUOOUGUTRPI-BYCRGOAPSA-N 2 1 284.360 -1.546 20 0 CAADMP CC[N@@H+]1CCO[C@@H](C(=O)NC/C=C\C[NH2+]CC(N)=O)C1 ZINC001268628377 775459748 /nfs/dbraw/zinc/45/97/48/775459748.db2.gz MTOSUOOUGUTRPI-DLRQAJBASA-N 2 1 284.360 -1.546 20 0 CAADMP CC[N@H+]1CCO[C@@H](C(=O)NC/C=C\C[NH2+]CC(N)=O)C1 ZINC001268628377 775459758 /nfs/dbraw/zinc/45/97/58/775459758.db2.gz MTOSUOOUGUTRPI-DLRQAJBASA-N 2 1 284.360 -1.546 20 0 CAADMP CN(CCC[NH2+][C@H]1CCNC1=O)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001268786080 775473469 /nfs/dbraw/zinc/47/34/69/775473469.db2.gz KZQFMBNBBHDWMS-NWDGAFQWSA-N 2 1 298.387 -1.356 20 0 CAADMP CN(CCC[NH2+][C@H]1CCNC1=O)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001268786080 775473472 /nfs/dbraw/zinc/47/34/72/775473472.db2.gz KZQFMBNBBHDWMS-NWDGAFQWSA-N 2 1 298.387 -1.356 20 0 CAADMP C[N@@H+]1CCO[C@H](C(=O)N[C@H](C[NH2+]CCO)C2CC2)C1 ZINC001269055712 775487643 /nfs/dbraw/zinc/48/76/43/775487643.db2.gz FSFMGDACJYZZFK-NEPJUHHUSA-N 2 1 271.361 -1.206 20 0 CAADMP C[N@H+]1CCO[C@H](C(=O)N[C@H](C[NH2+]CCO)C2CC2)C1 ZINC001269055712 775487646 /nfs/dbraw/zinc/48/76/46/775487646.db2.gz FSFMGDACJYZZFK-NEPJUHHUSA-N 2 1 271.361 -1.206 20 0 CAADMP C[NH+]1CC2(C1)CCN(C(=O)C[NH+](CCO)CCO)CC2 ZINC001269094454 775489458 /nfs/dbraw/zinc/48/94/58/775489458.db2.gz HDNADIOXXGJERR-UHFFFAOYSA-N 2 1 285.388 -1.173 20 0 CAADMP CN1C[C@@H]2CN(C(=O)[C@@H]3C[C@H](O)C[N@@H+]3C)C[C@H](C1)O2 ZINC001272272880 775520181 /nfs/dbraw/zinc/52/01/81/775520181.db2.gz CZSOWQIKNGYFNE-YFKTTZPYSA-N 2 1 269.345 -1.407 20 0 CAADMP CN1C[C@@H]2CN(C(=O)[C@@H]3C[C@H](O)C[N@H+]3C)C[C@H](C1)O2 ZINC001272272880 775520191 /nfs/dbraw/zinc/52/01/91/775520191.db2.gz CZSOWQIKNGYFNE-YFKTTZPYSA-N 2 1 269.345 -1.407 20 0 CAADMP C[C@@H](C[NH2+]CCO)N(C)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001270930216 775560678 /nfs/dbraw/zinc/56/06/78/775560678.db2.gz QBLMMUSMBQOPNX-QWRGUYRKSA-N 2 1 259.350 -1.254 20 0 CAADMP C[C@@H](C[NH2+]CCO)N(C)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001270930216 775560682 /nfs/dbraw/zinc/56/06/82/775560682.db2.gz QBLMMUSMBQOPNX-QWRGUYRKSA-N 2 1 259.350 -1.254 20 0 CAADMP C[NH+](C)CCN1CCC12CN(C(=O)[C@@H]1C[C@H](O)C[N@@H+]1C)C2 ZINC001272273511 775602130 /nfs/dbraw/zinc/60/21/30/775602130.db2.gz ORGSKEWGFHQZNC-STQMWFEESA-N 2 1 296.415 -1.100 20 0 CAADMP C[NH+](C)CCN1CCC12CN(C(=O)[C@@H]1C[C@H](O)C[N@H+]1C)C2 ZINC001272273511 775602133 /nfs/dbraw/zinc/60/21/33/775602133.db2.gz ORGSKEWGFHQZNC-STQMWFEESA-N 2 1 296.415 -1.100 20 0 CAADMP C[N@H+]1CCC[C@@H]1C(=O)N(CCO)CC[NH2+]CC(N)=O ZINC001272224154 775690543 /nfs/dbraw/zinc/69/05/43/775690543.db2.gz ACUUPBXOKLDZJA-SNVBAGLBSA-N 2 1 272.349 -2.024 20 0 CAADMP O=C(N[C@@H]1C[N@@H+](CCCO)C[C@@H]1O)[C@H]1C[NH+]2CCC1CC2 ZINC001083466177 775690657 /nfs/dbraw/zinc/69/06/57/775690657.db2.gz JSVHBETZCZRURG-MJBXVCDLSA-N 2 1 297.399 -1.128 20 0 CAADMP C[C@@H]1CC[N@@H+](CC(=O)N(CCO)CC[NH2+]CC(N)=O)C1 ZINC001272258623 775782268 /nfs/dbraw/zinc/78/22/68/775782268.db2.gz RPMMVDZAWJSSNN-LLVKDONJSA-N 2 1 286.376 -1.776 20 0 CAADMP C[C@H]1CC[N@@H+](CC(=O)N(CCO)CC[NH2+]CC(N)=O)C1 ZINC001272258624 775782799 /nfs/dbraw/zinc/78/27/99/775782799.db2.gz RPMMVDZAWJSSNN-NSHDSACASA-N 2 1 286.376 -1.776 20 0 CAADMP O=C(N[C@@H]1C[N@@H+](CCO)C[C@H]1O)[C@H]1C[NH+]2CCC1CC2 ZINC001077002650 775788619 /nfs/dbraw/zinc/78/86/19/775788619.db2.gz APCPRFKZHSEVJD-YNEHKIRRSA-N 2 1 283.372 -1.518 20 0 CAADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[NH+](CCCO)C[C@H]2O)CC[N@H+]1C ZINC001077023709 775790561 /nfs/dbraw/zinc/79/05/61/775790561.db2.gz OUBPLNZZQHDAGF-FDYHWXHSSA-N 2 1 285.388 -1.130 20 0 CAADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[N@H+](CCCO)C[C@H]2O)CC[NH+]1C ZINC001077023709 775790563 /nfs/dbraw/zinc/79/05/63/775790563.db2.gz OUBPLNZZQHDAGF-FDYHWXHSSA-N 2 1 285.388 -1.130 20 0 CAADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[N@@H+](CCCO)C[C@H]2O)CC[NH+]1C ZINC001077023709 775790573 /nfs/dbraw/zinc/79/05/73/775790573.db2.gz OUBPLNZZQHDAGF-FDYHWXHSSA-N 2 1 285.388 -1.130 20 0 CAADMP CC[N@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)[C@@H](O)C1 ZINC001083565116 775796281 /nfs/dbraw/zinc/79/62/81/775796281.db2.gz BWWKUCHJMVUPBZ-WISYIIOYSA-N 2 1 271.361 -1.113 20 0 CAADMP CC[N@@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)[C@@H](O)C1 ZINC001083565116 775796292 /nfs/dbraw/zinc/79/62/92/775796292.db2.gz BWWKUCHJMVUPBZ-WISYIIOYSA-N 2 1 271.361 -1.113 20 0 CAADMP CC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)[C@@H](O)C1 ZINC001083565116 775796301 /nfs/dbraw/zinc/79/63/01/775796301.db2.gz BWWKUCHJMVUPBZ-WISYIIOYSA-N 2 1 271.361 -1.113 20 0 CAADMP CC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)[C@@H](O)C1 ZINC001083565116 775796310 /nfs/dbraw/zinc/79/63/10/775796310.db2.gz BWWKUCHJMVUPBZ-WISYIIOYSA-N 2 1 271.361 -1.113 20 0 CAADMP [NH3+][C@@H]1NCN(C2CC[NH+](CC3CC3)CC2)[C@H]2NCN[C@@H]21 ZINC001168368884 775817394 /nfs/dbraw/zinc/81/73/94/775817394.db2.gz RQCXKVWXNLVKPW-MGPQQGTHSA-N 2 1 280.420 -1.147 20 0 CAADMP [NH3+][C@@H]1NCN(C2CC[NH+](CC3CC3)CC2)[C@@H]2NCN[C@H]21 ZINC001168368886 775818082 /nfs/dbraw/zinc/81/80/82/775818082.db2.gz RQCXKVWXNLVKPW-MJBXVCDLSA-N 2 1 280.420 -1.147 20 0 CAADMP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1C[NH2+]CC(N)=O ZINC001105973806 775874027 /nfs/dbraw/zinc/87/40/27/775874027.db2.gz CTGBQKGZNZZKGC-IJLUTSLNSA-N 2 1 298.387 -1.514 20 0 CAADMP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1C[NH2+]CC(N)=O ZINC001105973806 775874031 /nfs/dbraw/zinc/87/40/31/775874031.db2.gz CTGBQKGZNZZKGC-IJLUTSLNSA-N 2 1 298.387 -1.514 20 0 CAADMP CNC(=O)C[NH2+]CCCNC(=O)CC[NH+]1CCOCC1 ZINC001168417763 775880761 /nfs/dbraw/zinc/88/07/61/775880761.db2.gz XVPDQEYGFPBHLB-UHFFFAOYSA-N 2 1 286.376 -1.449 20 0 CAADMP C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)NC[C@@H]1COCC[NH2+]1 ZINC001122090081 775933386 /nfs/dbraw/zinc/93/33/86/775933386.db2.gz RGWAJRDEUNGLLF-UTUOFQBUSA-N 2 1 268.361 -1.521 20 0 CAADMP C[N@H+]1CC[C@@H](CC(=O)NC[C@@H](O)C[NH2+]CCO)C1 ZINC001272559185 775933795 /nfs/dbraw/zinc/93/37/95/775933795.db2.gz GXNHWPQAXAZTKW-QWRGUYRKSA-N 2 1 259.350 -1.613 20 0 CAADMP C[N@H+]1CC[C@H](CC(=O)NC[C@H](O)C[NH2+]CCO)C1 ZINC001272559180 775934392 /nfs/dbraw/zinc/93/43/92/775934392.db2.gz GXNHWPQAXAZTKW-GHMZBOCLSA-N 2 1 259.350 -1.613 20 0 CAADMP C[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CCCO)C[C@@H]2O)CC1 ZINC001083750014 775974944 /nfs/dbraw/zinc/97/49/44/775974944.db2.gz BQKNABHEUKKTBU-OLZOCXBDSA-N 2 1 285.388 -1.128 20 0 CAADMP [NH3+]CCCNC(=O)C[N@H+](CCC[NH3+])CC12CC([NH3+])(C1)C2 ZINC001236307268 775990615 /nfs/dbraw/zinc/99/06/15/775990615.db2.gz AEMFZTUMCBMAPB-UHFFFAOYSA-N 4 1 283.420 -1.016 20 0 CAADMP [NH3+]CCCNC(=O)C[N@@H+](CCC[NH3+])CC12CC([NH3+])(C1)C2 ZINC001236307268 775990620 /nfs/dbraw/zinc/99/06/20/775990620.db2.gz AEMFZTUMCBMAPB-UHFFFAOYSA-N 4 1 283.420 -1.016 20 0 CAADMP C[C@@H]1[C@H](C(=O)NCCNCc2nnnn2C)CC[N@H+]1C ZINC001127685845 776001475 /nfs/dbraw/zinc/00/14/75/776001475.db2.gz VQVAKXQBUUDLJE-NXEZZACHSA-N 2 1 281.364 -1.244 20 0 CAADMP C[C@@H]1[C@H](C(=O)NCC[NH2+]Cc2nnnn2C)CC[N@@H+]1C ZINC001127685845 776001482 /nfs/dbraw/zinc/00/14/82/776001482.db2.gz VQVAKXQBUUDLJE-NXEZZACHSA-N 2 1 281.364 -1.244 20 0 CAADMP C[C@@H]1[C@H](C(=O)NCC[NH2+]Cc2nnnn2C)CC[N@H+]1C ZINC001127685845 776001488 /nfs/dbraw/zinc/00/14/88/776001488.db2.gz VQVAKXQBUUDLJE-NXEZZACHSA-N 2 1 281.364 -1.244 20 0 CAADMP C[C@H]1C[C@@H](C(=O)N[C@@H]2C[NH+](CCO)C[C@H]2O)CC[N@H+]1C ZINC001077572640 776002211 /nfs/dbraw/zinc/00/22/11/776002211.db2.gz GFKVEHLVFMUOCN-WUHRBBMRSA-N 2 1 285.388 -1.130 20 0 CAADMP C[C@@H]1[C@H](C(=O)NCCNCc2nc(=O)n(C)[nH]2)CC[N@H+]1C ZINC001127685503 776002980 /nfs/dbraw/zinc/00/29/80/776002980.db2.gz PZAUNHJCNBCKSF-NXEZZACHSA-N 2 1 296.375 -1.346 20 0 CAADMP C[N@H+]1CCC[C@@H]1C(=O)NCC[NH2+][C@@H]1CCC(=O)NC1=O ZINC001124877358 776015292 /nfs/dbraw/zinc/01/52/92/776015292.db2.gz GNZFKPREYWQUBG-NXEZZACHSA-N 2 1 282.344 -1.408 20 0 CAADMP C[N@H+]1CCC[C@H]1C(=O)NCC[NH2+][C@H]1CCNC1=O ZINC001124872824 776015524 /nfs/dbraw/zinc/01/55/24/776015524.db2.gz NMLVVOZEDVKIOX-UWVGGRQHSA-N 2 1 254.334 -1.325 20 0 CAADMP C[N@H+]1CCC[C@H]1C(=O)NCC[NH2+][C@@H]1CCC(=O)NC1=O ZINC001124877367 776015471 /nfs/dbraw/zinc/01/54/71/776015471.db2.gz GNZFKPREYWQUBG-ZJUUUORDSA-N 2 1 282.344 -1.408 20 0 CAADMP C[N@H+]1CCC[C@@H]1C(=O)NCC[NH2+]CC(=O)N1CCOCC1 ZINC001124872568 776016081 /nfs/dbraw/zinc/01/60/81/776016081.db2.gz KOXKPDQAQCTKMI-GFCCVEGCSA-N 2 1 298.387 -1.355 20 0 CAADMP CNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H]1CCC[N@H+]1C ZINC001124873028 776016223 /nfs/dbraw/zinc/01/62/23/776016223.db2.gz RMLUSPRKDARWJM-SECBINFHSA-N 2 1 285.348 -1.758 20 0 CAADMP CN(C)C(=O)C[NH2+]CCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001124873037 776016451 /nfs/dbraw/zinc/01/64/51/776016451.db2.gz RRTWWHAATCFZRB-JTQLQIEISA-N 2 1 256.350 -1.125 20 0 CAADMP CN(C(=O)C[NH2+]CCNC(=O)[C@@H]1C[N@H+](C)CCO1)C1CC1 ZINC001125207888 776027109 /nfs/dbraw/zinc/02/71/09/776027109.db2.gz BFDIOOZSXBIDAC-LBPRGKRZSA-N 2 1 298.387 -1.356 20 0 CAADMP CN(C(=O)C[NH2+]CCNC(=O)[C@@H]1C[N@@H+](C)CCO1)C1CC1 ZINC001125207888 776027115 /nfs/dbraw/zinc/02/71/15/776027115.db2.gz BFDIOOZSXBIDAC-LBPRGKRZSA-N 2 1 298.387 -1.356 20 0 CAADMP CNC(=O)C[NH2+]CCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001125214141 776027186 /nfs/dbraw/zinc/02/71/86/776027186.db2.gz PVNZDRCVAHMJNT-VIFPVBQESA-N 2 1 258.322 -2.231 20 0 CAADMP CNC(=O)C[NH2+]CCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001125214141 776027198 /nfs/dbraw/zinc/02/71/98/776027198.db2.gz PVNZDRCVAHMJNT-VIFPVBQESA-N 2 1 258.322 -2.231 20 0 CAADMP CN(C(=O)C[NH2+]CCNC(=O)[C@H]1C[N@H+](C)CCO1)C1CC1 ZINC001125207887 776027229 /nfs/dbraw/zinc/02/72/29/776027229.db2.gz BFDIOOZSXBIDAC-GFCCVEGCSA-N 2 1 298.387 -1.356 20 0 CAADMP CN(C(=O)C[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)CCO1)C1CC1 ZINC001125207887 776027240 /nfs/dbraw/zinc/02/72/40/776027240.db2.gz BFDIOOZSXBIDAC-GFCCVEGCSA-N 2 1 298.387 -1.356 20 0 CAADMP CC[C@@H]([NH2+]CCNC(=O)[C@@H]1C[N@H+](C)CCO1)C(N)=O ZINC001125221668 776029150 /nfs/dbraw/zinc/02/91/50/776029150.db2.gz RWVOGHNVMWVOLN-ZJUUUORDSA-N 2 1 272.349 -1.713 20 0 CAADMP CC[C@@H]([NH2+]CCNC(=O)[C@@H]1C[N@@H+](C)CCO1)C(N)=O ZINC001125221668 776029159 /nfs/dbraw/zinc/02/91/59/776029159.db2.gz RWVOGHNVMWVOLN-ZJUUUORDSA-N 2 1 272.349 -1.713 20 0 CAADMP C[N@@H+]1CCO[C@H](C(=O)NCC[NH2+]CC(=O)NC(N)=O)C1 ZINC001125221167 776029422 /nfs/dbraw/zinc/02/94/22/776029422.db2.gz NSRQEPFLHRBUBW-QMMMGPOBSA-N 2 1 287.320 -2.782 20 0 CAADMP C[N@H+]1CCO[C@H](C(=O)NCC[NH2+]CC(=O)NC(N)=O)C1 ZINC001125221167 776029429 /nfs/dbraw/zinc/02/94/29/776029429.db2.gz NSRQEPFLHRBUBW-QMMMGPOBSA-N 2 1 287.320 -2.782 20 0 CAADMP CCN1CC[C@@H]([NH2+]CCNC(=O)[C@H]2C[N@H+](C)CCO2)C1=O ZINC001125220175 776029603 /nfs/dbraw/zinc/02/96/03/776029603.db2.gz DMMMNZQFMPQKFR-VXGBXAGGSA-N 2 1 298.387 -1.356 20 0 CAADMP CCN1CC[C@@H]([NH2+]CCNC(=O)[C@H]2C[N@@H+](C)CCO2)C1=O ZINC001125220175 776029611 /nfs/dbraw/zinc/02/96/11/776029611.db2.gz DMMMNZQFMPQKFR-VXGBXAGGSA-N 2 1 298.387 -1.356 20 0 CAADMP COC[C@@H](O)C[NH2+]CCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001125221779 776029763 /nfs/dbraw/zinc/02/97/63/776029763.db2.gz UCMUYYHZORZTEY-QWRGUYRKSA-N 2 1 275.349 -1.970 20 0 CAADMP COC[C@@H](O)C[NH2+]CCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001125221779 776029770 /nfs/dbraw/zinc/02/97/70/776029770.db2.gz UCMUYYHZORZTEY-QWRGUYRKSA-N 2 1 275.349 -1.970 20 0 CAADMP C[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+][C@H]2CCNC2=O)C1 ZINC001125221247 776030246 /nfs/dbraw/zinc/03/02/46/776030246.db2.gz OPQHTTANRCIRIY-VHSXEESVSA-N 2 1 270.333 -2.089 20 0 CAADMP C[N@H+]1CCO[C@@H](C(=O)NCC[NH2+][C@H]2CCNC2=O)C1 ZINC001125221247 776030254 /nfs/dbraw/zinc/03/02/54/776030254.db2.gz OPQHTTANRCIRIY-VHSXEESVSA-N 2 1 270.333 -2.089 20 0 CAADMP C[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+]CCn2cncn2)C1 ZINC001125220170 776030506 /nfs/dbraw/zinc/03/05/06/776030506.db2.gz DIRCVYQLRKMBRG-LLVKDONJSA-N 2 1 282.348 -1.686 20 0 CAADMP C[N@H+]1CCO[C@@H](C(=O)NCC[NH2+]CCn2cncn2)C1 ZINC001125220170 776030511 /nfs/dbraw/zinc/03/05/11/776030511.db2.gz DIRCVYQLRKMBRG-LLVKDONJSA-N 2 1 282.348 -1.686 20 0 CAADMP CNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001125221446 776030522 /nfs/dbraw/zinc/03/05/22/776030522.db2.gz QICGNWXOJYHKME-NXEZZACHSA-N 2 1 272.349 -1.843 20 0 CAADMP CNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001125221446 776030527 /nfs/dbraw/zinc/03/05/27/776030527.db2.gz QICGNWXOJYHKME-NXEZZACHSA-N 2 1 272.349 -1.843 20 0 CAADMP CNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001125221452 776031083 /nfs/dbraw/zinc/03/10/83/776031083.db2.gz QICGNWXOJYHKME-VHSXEESVSA-N 2 1 272.349 -1.843 20 0 CAADMP CCN1CC[C@H]([NH2+]CCNC(=O)[C@@H]2C[N@H+](C)CCO2)C1=O ZINC001125220174 776030910 /nfs/dbraw/zinc/03/09/10/776030910.db2.gz DMMMNZQFMPQKFR-RYUDHWBXSA-N 2 1 298.387 -1.356 20 0 CAADMP CCN1CC[C@H]([NH2+]CCNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1=O ZINC001125220174 776030917 /nfs/dbraw/zinc/03/09/17/776030917.db2.gz DMMMNZQFMPQKFR-RYUDHWBXSA-N 2 1 298.387 -1.356 20 0 CAADMP C[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+][C@H]2CCCNC2=O)C1 ZINC001125222413 776030967 /nfs/dbraw/zinc/03/09/67/776030967.db2.gz VUASVTAQVYKALX-WDEREUQCSA-N 2 1 284.360 -1.699 20 0 CAADMP C[N@H+]1CCO[C@@H](C(=O)NCC[NH2+][C@H]2CCCNC2=O)C1 ZINC001125222413 776030979 /nfs/dbraw/zinc/03/09/79/776030979.db2.gz VUASVTAQVYKALX-WDEREUQCSA-N 2 1 284.360 -1.699 20 0 CAADMP CNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001125221452 776031072 /nfs/dbraw/zinc/03/10/72/776031072.db2.gz QICGNWXOJYHKME-VHSXEESVSA-N 2 1 272.349 -1.843 20 0 CAADMP CN1CC[C@@H]([NH2+]CCNC(=O)[C@@H]2C[N@H+](C)CCO2)C1=O ZINC001125227503 776031281 /nfs/dbraw/zinc/03/12/81/776031281.db2.gz SRXOCPQIVDQIOV-MNOVXSKESA-N 2 1 284.360 -1.747 20 0 CAADMP CN1CC[C@@H]([NH2+]CCNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1=O ZINC001125227503 776031289 /nfs/dbraw/zinc/03/12/89/776031289.db2.gz SRXOCPQIVDQIOV-MNOVXSKESA-N 2 1 284.360 -1.747 20 0 CAADMP Cn1cc(CC[NH2+]CCNC(=O)[C@@H]2C[N@H+](C)CCO2)cn1 ZINC001125222580 776031320 /nfs/dbraw/zinc/03/13/20/776031320.db2.gz WHJWZGJPVQNWLT-ZDUSSCGKSA-N 2 1 295.387 -1.001 20 0 CAADMP Cn1cc(CC[NH2+]CCNC(=O)[C@@H]2C[N@@H+](C)CCO2)cn1 ZINC001125222580 776031326 /nfs/dbraw/zinc/03/13/26/776031326.db2.gz WHJWZGJPVQNWLT-ZDUSSCGKSA-N 2 1 295.387 -1.001 20 0 CAADMP CN1CC[C@H]([NH2+]CCNC(=O)[C@@H]2C[N@H+](C)CCO2)C1=O ZINC001125227504 776031438 /nfs/dbraw/zinc/03/14/38/776031438.db2.gz SRXOCPQIVDQIOV-QWRGUYRKSA-N 2 1 284.360 -1.747 20 0 CAADMP CN1CC[C@H]([NH2+]CCNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1=O ZINC001125227504 776031444 /nfs/dbraw/zinc/03/14/44/776031444.db2.gz SRXOCPQIVDQIOV-QWRGUYRKSA-N 2 1 284.360 -1.747 20 0 CAADMP [NH3+]CCS(=O)(=O)NCCN1CC[NH2+]CC1=O ZINC001238800055 776038554 /nfs/dbraw/zinc/03/85/54/776038554.db2.gz HMSDHZCOCOGMJC-UHFFFAOYSA-N 2 1 250.324 -2.704 20 0 CAADMP O=C(NCC[NH2+]CCCO)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001127760620 776040024 /nfs/dbraw/zinc/04/00/24/776040024.db2.gz NXRCFYCWRLAYGT-NEPJUHHUSA-N 2 1 271.361 -1.062 20 0 CAADMP CCNC(=O)C[NH2+]CCNC(=O)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001127777714 776040354 /nfs/dbraw/zinc/04/03/54/776040354.db2.gz BGLGEZODZYYVJU-VXGBXAGGSA-N 2 1 298.387 -1.309 20 0 CAADMP CN(C)C(=O)C[NH2+]CCNC(=O)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001127779580 776041864 /nfs/dbraw/zinc/04/18/64/776041864.db2.gz OHBYDTDWVCGDRA-VXGBXAGGSA-N 2 1 298.387 -1.356 20 0 CAADMP O=C(NCC[NH2+]CCO)[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001127786305 776048081 /nfs/dbraw/zinc/04/80/81/776048081.db2.gz XWTHZGOJEKAUMQ-WDEREUQCSA-N 2 1 257.334 -1.452 20 0 CAADMP C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2C[NH+](CCO)C[C@H]2O)C1 ZINC001077679541 776058575 /nfs/dbraw/zinc/05/85/75/776058575.db2.gz UXVBBLAPFOVKKP-IJLUTSLNSA-N 2 1 271.361 -1.518 20 0 CAADMP C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2C[NH+](CCO)C[C@H]2O)C1 ZINC001077679541 776058581 /nfs/dbraw/zinc/05/85/81/776058581.db2.gz UXVBBLAPFOVKKP-IJLUTSLNSA-N 2 1 271.361 -1.518 20 0 CAADMP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2C[N@H+](CCO)C[C@H]2O)C1 ZINC001077679541 776058584 /nfs/dbraw/zinc/05/85/84/776058584.db2.gz UXVBBLAPFOVKKP-IJLUTSLNSA-N 2 1 271.361 -1.518 20 0 CAADMP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2C[N@@H+](CCO)C[C@H]2O)C1 ZINC001077679541 776058591 /nfs/dbraw/zinc/05/85/91/776058591.db2.gz UXVBBLAPFOVKKP-IJLUTSLNSA-N 2 1 271.361 -1.518 20 0 CAADMP C[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001078010618 776112621 /nfs/dbraw/zinc/11/26/21/776112621.db2.gz CNKLWZOCOHNFNF-QJPTWQEYSA-N 2 1 283.372 -1.376 20 0 CAADMP C[N@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](CCCO)C[C@H]2O)C1 ZINC001078176030 776127386 /nfs/dbraw/zinc/12/73/86/776127386.db2.gz XFQBXGUZHFHGMA-QJPTWQEYSA-N 2 1 271.361 -1.518 20 0 CAADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@H+](CCCO)C[C@H]2O)C1 ZINC001078176030 776127392 /nfs/dbraw/zinc/12/73/92/776127392.db2.gz XFQBXGUZHFHGMA-QJPTWQEYSA-N 2 1 271.361 -1.518 20 0 CAADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@@H+](CCCO)C[C@H]2O)C1 ZINC001078176030 776127401 /nfs/dbraw/zinc/12/74/01/776127401.db2.gz XFQBXGUZHFHGMA-QJPTWQEYSA-N 2 1 271.361 -1.518 20 0 CAADMP C[N@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](CCO)C[C@H]2O)C1 ZINC001078175873 776128018 /nfs/dbraw/zinc/12/80/18/776128018.db2.gz PWIQIMUIDGTCTL-HBNTYKKESA-N 2 1 257.334 -1.908 20 0 CAADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@H+](CCO)C[C@H]2O)C1 ZINC001078175873 776128023 /nfs/dbraw/zinc/12/80/23/776128023.db2.gz PWIQIMUIDGTCTL-HBNTYKKESA-N 2 1 257.334 -1.908 20 0 CAADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@@H+](CCO)C[C@H]2O)C1 ZINC001078175873 776128030 /nfs/dbraw/zinc/12/80/30/776128030.db2.gz PWIQIMUIDGTCTL-HBNTYKKESA-N 2 1 257.334 -1.908 20 0 CAADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@H+](C[C@@H](C)O)C[C@H]1O ZINC001078183364 776130394 /nfs/dbraw/zinc/13/03/94/776130394.db2.gz NMEUBSKQLSXBOH-YUSALJHKSA-N 2 1 282.344 -1.266 20 0 CAADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@@H+](C[C@@H](C)O)C[C@H]1O ZINC001078183364 776130397 /nfs/dbraw/zinc/13/03/97/776130397.db2.gz NMEUBSKQLSXBOH-YUSALJHKSA-N 2 1 282.344 -1.266 20 0 CAADMP C[NH+](C)CCN1CCC12CN(C(=O)C[N@@H+]1CC[C@H](O)C1)C2 ZINC001273069354 776188815 /nfs/dbraw/zinc/18/88/15/776188815.db2.gz IMHTWBYFKNMASI-ZDUSSCGKSA-N 2 1 296.415 -1.099 20 0 CAADMP C[NH+](C)CCN1CCC12CN(C(=O)C[N@H+]1CC[C@H](O)C1)C2 ZINC001273069354 776188818 /nfs/dbraw/zinc/18/88/18/776188818.db2.gz IMHTWBYFKNMASI-ZDUSSCGKSA-N 2 1 296.415 -1.099 20 0 CAADMP C[NH+](C)CCN1CCC12CN(C(=O)C[N@@H+]1CC[C@@H](O)C1)C2 ZINC001273069353 776188858 /nfs/dbraw/zinc/18/88/58/776188858.db2.gz IMHTWBYFKNMASI-CYBMUJFWSA-N 2 1 296.415 -1.099 20 0 CAADMP C[NH+](C)CCN1CCC12CN(C(=O)C[N@H+]1CC[C@@H](O)C1)C2 ZINC001273069353 776188860 /nfs/dbraw/zinc/18/88/60/776188860.db2.gz IMHTWBYFKNMASI-CYBMUJFWSA-N 2 1 296.415 -1.099 20 0 CAADMP [NH3+]Cc1ncn(-c2nccc(N3CC[NH2+]CC3)n2)n1 ZINC001168749000 776195417 /nfs/dbraw/zinc/19/54/17/776195417.db2.gz DSEDKHBZYDLTCE-UHFFFAOYSA-N 2 1 260.305 -1.074 20 0 CAADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCC[NH2+]CC(=O)NC(N)=O ZINC001128774912 776212345 /nfs/dbraw/zinc/21/23/45/776212345.db2.gz ZAPNPUHOLHHXDL-SNVBAGLBSA-N 2 1 299.375 -1.239 20 0 CAADMP C[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1[NH2+]CCO ZINC001082459192 776416055 /nfs/dbraw/zinc/41/60/55/776416055.db2.gz QNPVXOXDNKPEFK-UTUOFQBUSA-N 2 1 271.361 -1.254 20 0 CAADMP C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1[NH2+]CCO ZINC001082459192 776416059 /nfs/dbraw/zinc/41/60/59/776416059.db2.gz QNPVXOXDNKPEFK-UTUOFQBUSA-N 2 1 271.361 -1.254 20 0 CAADMP C[C@@H](C(N)=O)[N@@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC001118933099 776418938 /nfs/dbraw/zinc/41/89/38/776418938.db2.gz HIEFLSXBVKVCKT-QEYWKRMJSA-N 2 1 268.317 -1.273 20 0 CAADMP C[C@@H](C(N)=O)[N@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC001118933099 776418945 /nfs/dbraw/zinc/41/89/45/776418945.db2.gz HIEFLSXBVKVCKT-QEYWKRMJSA-N 2 1 268.317 -1.273 20 0 CAADMP CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CC(N)=O)C2)C1 ZINC001082933714 776426782 /nfs/dbraw/zinc/42/67/82/776426782.db2.gz GTCPWLIZFZABRP-IJLUTSLNSA-N 2 1 298.387 -1.371 20 0 CAADMP CC[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CC(N)=O)C2)C1 ZINC001082933714 776426789 /nfs/dbraw/zinc/42/67/89/776426789.db2.gz GTCPWLIZFZABRP-IJLUTSLNSA-N 2 1 298.387 -1.371 20 0 CAADMP C[N@H+]1CC[C@H](CC(=O)N[C@@H]2C[NH+](CCCO)C[C@@H]2O)C1 ZINC001083955080 776437326 /nfs/dbraw/zinc/43/73/26/776437326.db2.gz VWOMKZUQODURLS-UPJWGTAASA-N 2 1 285.388 -1.128 20 0 CAADMP C[NH+]1CC[C@H](CC(=O)N[C@@H]2C[N@H+](CCCO)C[C@@H]2O)C1 ZINC001083955080 776437328 /nfs/dbraw/zinc/43/73/28/776437328.db2.gz VWOMKZUQODURLS-UPJWGTAASA-N 2 1 285.388 -1.128 20 0 CAADMP C[NH+]1CC[C@H](CC(=O)N[C@@H]2C[N@@H+](CCCO)C[C@@H]2O)C1 ZINC001083955080 776437330 /nfs/dbraw/zinc/43/73/30/776437330.db2.gz VWOMKZUQODURLS-UPJWGTAASA-N 2 1 285.388 -1.128 20 0 CAADMP C[N@H+]1CC[C@H](CC(=O)N[C@@H]2C[NH+](CCO)C[C@@H]2O)C1 ZINC001083955140 776437472 /nfs/dbraw/zinc/43/74/72/776437472.db2.gz YFCJJEMXLOMOFM-UTUOFQBUSA-N 2 1 271.361 -1.518 20 0 CAADMP C[NH+]1CC[C@H](CC(=O)N[C@@H]2C[N@H+](CCO)C[C@@H]2O)C1 ZINC001083955140 776437477 /nfs/dbraw/zinc/43/74/77/776437477.db2.gz YFCJJEMXLOMOFM-UTUOFQBUSA-N 2 1 271.361 -1.518 20 0 CAADMP C[NH+]1CC[C@H](CC(=O)N[C@@H]2C[N@@H+](CCO)C[C@@H]2O)C1 ZINC001083955140 776437482 /nfs/dbraw/zinc/43/74/82/776437482.db2.gz YFCJJEMXLOMOFM-UTUOFQBUSA-N 2 1 271.361 -1.518 20 0 CAADMP O=C(N[C@@H]1C[N@@H+](CCCO)C[C@@H]1O)C12CC[NH+](CC1)C2 ZINC001083957522 776439504 /nfs/dbraw/zinc/43/95/04/776439504.db2.gz CRMHSHCGYWMXPV-NEPJUHHUSA-N 2 1 283.372 -1.374 20 0 CAADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@@H+](CCCO)C[C@@H]2O)C1 ZINC001084054123 776444350 /nfs/dbraw/zinc/44/43/50/776444350.db2.gz XFQBXGUZHFHGMA-TUAOUCFPSA-N 2 1 271.361 -1.518 20 0 CAADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@H+](C[C@@H](C)O)C[C@@H]1O ZINC001084059548 776444908 /nfs/dbraw/zinc/44/49/08/776444908.db2.gz NMEUBSKQLSXBOH-JLLWLGSASA-N 2 1 282.344 -1.266 20 0 CAADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@@H+](C[C@@H](C)O)C[C@@H]1O ZINC001084059548 776444912 /nfs/dbraw/zinc/44/49/12/776444912.db2.gz NMEUBSKQLSXBOH-JLLWLGSASA-N 2 1 282.344 -1.266 20 0 CAADMP NC(=O)[C@H]1CN(c2ccc3c(n2)CC[NH2+]C3)CC[NH2+]1 ZINC001166724262 776453976 /nfs/dbraw/zinc/45/39/76/776453976.db2.gz SBEKLRWNYMJTOC-LLVKDONJSA-N 2 1 261.329 -1.009 20 0 CAADMP CCN(CC[NH2+]CC(=O)NC(N)=O)C(=O)[C@@H]1CCC[N@H+]1C ZINC001273298554 776476593 /nfs/dbraw/zinc/47/65/93/776476593.db2.gz SMVHGQNBLNQXJW-JTQLQIEISA-N 2 1 299.375 -1.286 20 0 CAADMP O=S(=O)(N1CC[NH2+]CC1)N1CC[NH2+]C[C@@H]1C(F)F ZINC000825678552 776480647 /nfs/dbraw/zinc/48/06/47/776480647.db2.gz FZGHHZRKRJQTLA-MRVPVSSYSA-N 2 1 284.332 -1.325 20 0 CAADMP O=S(=O)(N1CC[NH2+]CC1)N1CC[NH2+]C[C@H]1C(F)F ZINC000825678559 776480852 /nfs/dbraw/zinc/48/08/52/776480852.db2.gz FZGHHZRKRJQTLA-QMMMGPOBSA-N 2 1 284.332 -1.325 20 0 CAADMP CS(=O)(=O)N(CC[NH3+])c1ncnc2c1C[NH2+]C2 ZINC001154766396 776482666 /nfs/dbraw/zinc/48/26/66/776482666.db2.gz WRHYFPVKUFOSTE-UHFFFAOYSA-N 2 1 257.319 -1.196 20 0 CAADMP C[NH+](C)CCCC(=O)N[C@@H]1CC[N@@H+](CCO)C[C@H]1O ZINC001099974188 776483510 /nfs/dbraw/zinc/48/35/10/776483510.db2.gz ODUGGNIZGCURPS-VXGBXAGGSA-N 2 1 273.377 -1.128 20 0 CAADMP CN(C[C@@H]1CC[N@H+]1CCO)C(=O)[C@H]1CN(C)CCO1 ZINC001085531593 776486955 /nfs/dbraw/zinc/48/69/55/776486955.db2.gz WBPVNJSGVLUGAO-NWDGAFQWSA-N 2 1 271.361 -1.158 20 0 CAADMP C[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2C[C@@H]([NH2+]CC(N)=O)C2)C1 ZINC001086052555 776498018 /nfs/dbraw/zinc/49/80/18/776498018.db2.gz NRWFVYHIKKSXPA-OUAUKWLOSA-N 2 1 284.360 -1.713 20 0 CAADMP C[N@H+]1CCO[C@@H](C(=O)NC[C@H]2C[C@@H]([NH2+]CC(N)=O)C2)C1 ZINC001086052555 776498052 /nfs/dbraw/zinc/49/80/52/776498052.db2.gz NRWFVYHIKKSXPA-OUAUKWLOSA-N 2 1 284.360 -1.713 20 0 CAADMP C[N@H+]1CC[C@@H](C(=O)NC[C@H]2C[C@@H]([NH2+]CC(N)=O)C2)C1 ZINC001086271813 776505288 /nfs/dbraw/zinc/50/52/88/776505288.db2.gz LTGIOMOHOHSETF-MXWKQRLJSA-N 2 1 268.361 -1.092 20 0 CAADMP C[C@@H]([NH2+][C@H]1C[C@H](CNC(=O)[C@H]2C[N@H+](C)CCO2)C1)C(N)=O ZINC001086331929 776506346 /nfs/dbraw/zinc/50/63/46/776506346.db2.gz LMCMBVANVWYNGD-DDHJBXDOSA-N 2 1 298.387 -1.325 20 0 CAADMP C[C@@H]([NH2+][C@H]1C[C@H](CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1)C(N)=O ZINC001086331929 776506352 /nfs/dbraw/zinc/50/63/52/776506352.db2.gz LMCMBVANVWYNGD-DDHJBXDOSA-N 2 1 298.387 -1.325 20 0 CAADMP C[N@@H+]1CCO[C@H](C(=O)NC[C@H]2C[C@H]([NH2+]CCO)C2)C1 ZINC001086333410 776506605 /nfs/dbraw/zinc/50/66/05/776506605.db2.gz NJLSKCHVPPGFGT-SRVKXCTJSA-N 2 1 271.361 -1.206 20 0 CAADMP C[N@H+]1CCO[C@H](C(=O)NC[C@H]2C[C@H]([NH2+]CCO)C2)C1 ZINC001086333410 776506611 /nfs/dbraw/zinc/50/66/11/776506611.db2.gz NJLSKCHVPPGFGT-SRVKXCTJSA-N 2 1 271.361 -1.206 20 0 CAADMP C[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2C[C@H]([NH2+]CC(N)=O)C2)C1 ZINC001086331990 776506634 /nfs/dbraw/zinc/50/66/34/776506634.db2.gz NRWFVYHIKKSXPA-GMTAPVOTSA-N 2 1 284.360 -1.713 20 0 CAADMP C[N@H+]1CCO[C@@H](C(=O)NC[C@H]2C[C@H]([NH2+]CC(N)=O)C2)C1 ZINC001086331990 776506640 /nfs/dbraw/zinc/50/66/40/776506640.db2.gz NRWFVYHIKKSXPA-GMTAPVOTSA-N 2 1 284.360 -1.713 20 0 CAADMP C[C@@H]([NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1)C(N)=O ZINC001086331931 776506726 /nfs/dbraw/zinc/50/67/26/776506726.db2.gz LMCMBVANVWYNGD-KKOKHZNYSA-N 2 1 298.387 -1.325 20 0 CAADMP C[C@@H]([NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1)C(N)=O ZINC001086331931 776506730 /nfs/dbraw/zinc/50/67/30/776506730.db2.gz LMCMBVANVWYNGD-KKOKHZNYSA-N 2 1 298.387 -1.325 20 0 CAADMP C[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2C[C@H]([NH2+]CCO)C2)C1 ZINC001086333409 776506741 /nfs/dbraw/zinc/50/67/41/776506741.db2.gz NJLSKCHVPPGFGT-IJLUTSLNSA-N 2 1 271.361 -1.206 20 0 CAADMP C[N@H+]1CCO[C@@H](C(=O)NC[C@H]2C[C@H]([NH2+]CCO)C2)C1 ZINC001086333409 776506743 /nfs/dbraw/zinc/50/67/43/776506743.db2.gz NJLSKCHVPPGFGT-IJLUTSLNSA-N 2 1 271.361 -1.206 20 0 CAADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@H]2C[C@H]([NH2+]CC(N)=O)C2)O1 ZINC001086400778 776509052 /nfs/dbraw/zinc/50/90/52/776509052.db2.gz XAYGGRSKAJOKNC-DDHJBXDOSA-N 2 1 298.387 -1.325 20 0 CAADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@H]2C[C@H]([NH2+]CC(N)=O)C2)O1 ZINC001086400778 776509060 /nfs/dbraw/zinc/50/90/60/776509060.db2.gz XAYGGRSKAJOKNC-DDHJBXDOSA-N 2 1 298.387 -1.325 20 0 CAADMP C[C@H]([NH2+]CCCNC(=O)[C@@H]1C[N@H+](C)CCO1)C(N)=O ZINC001156125921 776512997 /nfs/dbraw/zinc/51/29/97/776512997.db2.gz QJMVORKJGFKCHJ-UWVGGRQHSA-N 2 1 272.349 -1.713 20 0 CAADMP C[C@H]([NH2+]CCCNC(=O)[C@@H]1C[N@@H+](C)CCO1)C(N)=O ZINC001156125921 776513001 /nfs/dbraw/zinc/51/30/01/776513001.db2.gz QJMVORKJGFKCHJ-UWVGGRQHSA-N 2 1 272.349 -1.713 20 0 CAADMP CN1CC[C@@H]([NH2+]CCCNC(=O)[C@@H]2C[N@H+](C)CCO2)C1=O ZINC001156124917 776513074 /nfs/dbraw/zinc/51/30/74/776513074.db2.gz BPGCFUCNWVRFJZ-NEPJUHHUSA-N 2 1 298.387 -1.356 20 0 CAADMP CN1CC[C@@H]([NH2+]CCCNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1=O ZINC001156124917 776513081 /nfs/dbraw/zinc/51/30/81/776513081.db2.gz BPGCFUCNWVRFJZ-NEPJUHHUSA-N 2 1 298.387 -1.356 20 0 CAADMP C[N@@H+]1CCO[C@@H](C(=O)NCCC[NH2+][C@@H]2CCNC2=O)C1 ZINC001156146362 776513310 /nfs/dbraw/zinc/51/33/10/776513310.db2.gz WZAHBDFGSLQHNP-GHMZBOCLSA-N 2 1 284.360 -1.699 20 0 CAADMP C[N@H+]1CCO[C@@H](C(=O)NCCC[NH2+][C@@H]2CCNC2=O)C1 ZINC001156146362 776513312 /nfs/dbraw/zinc/51/33/12/776513312.db2.gz WZAHBDFGSLQHNP-GHMZBOCLSA-N 2 1 284.360 -1.699 20 0 CAADMP C[N@@H+]1CCO[C@H](C(=O)NCCC[NH2+][C@H]2CCNC2=O)C1 ZINC001156146364 776513403 /nfs/dbraw/zinc/51/34/03/776513403.db2.gz WZAHBDFGSLQHNP-QWRGUYRKSA-N 2 1 284.360 -1.699 20 0 CAADMP C[N@H+]1CCO[C@H](C(=O)NCCC[NH2+][C@H]2CCNC2=O)C1 ZINC001156146364 776513405 /nfs/dbraw/zinc/51/34/05/776513405.db2.gz WZAHBDFGSLQHNP-QWRGUYRKSA-N 2 1 284.360 -1.699 20 0 CAADMP C[N@@H+]1CCO[C@@H](C(=O)NCCC[NH2+][C@@H]2CCCNC2=O)C1 ZINC001156145519 776513744 /nfs/dbraw/zinc/51/37/44/776513744.db2.gz MOZWHBLCYYXHJP-VXGBXAGGSA-N 2 1 298.387 -1.309 20 0 CAADMP C[N@H+]1CCO[C@@H](C(=O)NCCC[NH2+][C@@H]2CCCNC2=O)C1 ZINC001156145519 776513752 /nfs/dbraw/zinc/51/37/52/776513752.db2.gz MOZWHBLCYYXHJP-VXGBXAGGSA-N 2 1 298.387 -1.309 20 0 CAADMP CNC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001156152090 776513843 /nfs/dbraw/zinc/51/38/43/776513843.db2.gz CJCIQTZBRHCUCZ-MNOVXSKESA-N 2 1 286.376 -1.453 20 0 CAADMP CNC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001156152090 776513848 /nfs/dbraw/zinc/51/38/48/776513848.db2.gz CJCIQTZBRHCUCZ-MNOVXSKESA-N 2 1 286.376 -1.453 20 0 CAADMP CN(c1ncc2c(n1)C[NH2+]C2)S(=O)(=O)CC[NH3+] ZINC001156236360 776518278 /nfs/dbraw/zinc/51/82/78/776518278.db2.gz GXHQUHRBIIDSSW-UHFFFAOYSA-N 2 1 257.319 -1.196 20 0 CAADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](N1CN[C@H]([NH3+])[C@H]3NCN[C@H]31)C2 ZINC001169119329 776521161 /nfs/dbraw/zinc/52/11/61/776521161.db2.gz RGVBVHPOKRCCEY-USTYEKHQSA-N 2 1 266.393 -1.396 20 0 CAADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](N1CN[C@H]([NH3+])[C@H]3NCN[C@H]31)C2 ZINC001169119329 776521166 /nfs/dbraw/zinc/52/11/66/776521166.db2.gz RGVBVHPOKRCCEY-USTYEKHQSA-N 2 1 266.393 -1.396 20 0 CAADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](N1CN[C@H]([NH3+])[C@@H]3NCN[C@H]31)C2 ZINC001169119328 776521533 /nfs/dbraw/zinc/52/15/33/776521533.db2.gz RGVBVHPOKRCCEY-QFHDERPTSA-N 2 1 266.393 -1.396 20 0 CAADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](N1CN[C@H]([NH3+])[C@@H]3NCN[C@H]31)C2 ZINC001169119328 776521539 /nfs/dbraw/zinc/52/15/39/776521539.db2.gz RGVBVHPOKRCCEY-QFHDERPTSA-N 2 1 266.393 -1.396 20 0 CAADMP NC(=O)[C@@H](CO)Nc1cc[nH+]c(N2CCC([NH3+])CC2)n1 ZINC001169328264 776525613 /nfs/dbraw/zinc/52/56/13/776525613.db2.gz RFUUJQUAMLYILH-SECBINFHSA-N 2 1 280.332 -1.338 20 0 CAADMP C[NH+](C)[C@H](Cn1cccn1)C(=O)NCC[NH2+]CCCO ZINC001129386423 776549081 /nfs/dbraw/zinc/54/90/81/776549081.db2.gz KSZYSSDLCSSAFN-GFCCVEGCSA-N 2 1 283.376 -1.099 20 0 CAADMP C[C@@H](O)C[NH2+]CCNC(=O)[C@@H](Cn1cccn1)[NH+](C)C ZINC001129384970 776549373 /nfs/dbraw/zinc/54/93/73/776549373.db2.gz BHFZWZLHDDSVDH-VXGBXAGGSA-N 2 1 283.376 -1.100 20 0 CAADMP CC(C)[N@@H+](C)CC(=O)N[C@H]1CC[NH+](CCO)C[C@@H]1O ZINC001100132505 776552117 /nfs/dbraw/zinc/55/21/17/776552117.db2.gz UYUHOZYPSSDPAT-RYUDHWBXSA-N 2 1 273.377 -1.130 20 0 CAADMP CC(C)[NH+](C)CC(=O)N[C@H]1CC[N@H+](CCO)C[C@@H]1O ZINC001100132505 776552125 /nfs/dbraw/zinc/55/21/25/776552125.db2.gz UYUHOZYPSSDPAT-RYUDHWBXSA-N 2 1 273.377 -1.130 20 0 CAADMP CC(C)[NH+](C)CC(=O)N[C@H]1CC[N@@H+](CCO)C[C@@H]1O ZINC001100132505 776552135 /nfs/dbraw/zinc/55/21/35/776552135.db2.gz UYUHOZYPSSDPAT-RYUDHWBXSA-N 2 1 273.377 -1.130 20 0 CAADMP C[N@H+]1CC[C@H](C(=O)NC[C@H]2C[C@H]([NH2+]CC(N)=O)C2)C1 ZINC001086550526 776563742 /nfs/dbraw/zinc/56/37/42/776563742.db2.gz LTGIOMOHOHSETF-DCAQKATOSA-N 2 1 268.361 -1.092 20 0 CAADMP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2C[C@H]([NH2+]CC(N)=O)C2)C1 ZINC001086557097 776567470 /nfs/dbraw/zinc/56/74/70/776567470.db2.gz YRMYYWDLSCONIO-IJLUTSLNSA-N 2 1 298.387 -1.323 20 0 CAADMP CC[N@H+]1CCO[C@@H](C(=O)NC[C@H]2C[C@H]([NH2+]CC(N)=O)C2)C1 ZINC001086557097 776567479 /nfs/dbraw/zinc/56/74/79/776567479.db2.gz YRMYYWDLSCONIO-IJLUTSLNSA-N 2 1 298.387 -1.323 20 0 CAADMP C[N@H+]1C[C@H](C(=O)N2CC(C)([NH3+])C2)OC2(CC[NH2+]CC2)C1 ZINC001157632477 776589764 /nfs/dbraw/zinc/58/97/64/776589764.db2.gz CGBQTYBDOABQCQ-LLVKDONJSA-N 3 1 282.388 -1.001 20 0 CAADMP CN1C[C@H](C(=O)N2CC(C)([NH3+])C2)OC2(CC[NH2+]CC2)C1 ZINC001157632477 776589766 /nfs/dbraw/zinc/58/97/66/776589766.db2.gz CGBQTYBDOABQCQ-LLVKDONJSA-N 2 1 282.388 -1.001 20 0 CAADMP C[N@H+]1C[C@@H](C(=O)N2CC(C)([NH3+])C2)OC2(CC[NH2+]CC2)C1 ZINC001157632486 776590714 /nfs/dbraw/zinc/59/07/14/776590714.db2.gz CGBQTYBDOABQCQ-NSHDSACASA-N 3 1 282.388 -1.001 20 0 CAADMP CN1C[C@@H](C(=O)N2CC(C)([NH3+])C2)OC2(CC[NH2+]CC2)C1 ZINC001157632486 776590721 /nfs/dbraw/zinc/59/07/21/776590721.db2.gz CGBQTYBDOABQCQ-NSHDSACASA-N 2 1 282.388 -1.001 20 0 CAADMP C[N@@H+](CC(=O)NCC[NH2+][C@@H]1CCC(=O)NC1=O)C1CCC1 ZINC001129531580 776620683 /nfs/dbraw/zinc/62/06/83/776620683.db2.gz AELVCHMNEQPDPF-LLVKDONJSA-N 2 1 296.371 -1.018 20 0 CAADMP C[C@@H]([NH2+]CCNC(=O)C[N@@H+](C)C1CCC1)C(=O)NC(N)=O ZINC001129535529 776623339 /nfs/dbraw/zinc/62/33/39/776623339.db2.gz WCWKSKMGCPRAGR-SECBINFHSA-N 2 1 299.375 -1.240 20 0 CAADMP C[N@H+]1CCC[C@H]1CCC(=O)NCC[NH2+]CC(=O)NC(N)=O ZINC001129841228 776629260 /nfs/dbraw/zinc/62/92/60/776629260.db2.gz NFROZKCCFQDAGL-JTQLQIEISA-N 2 1 299.375 -1.239 20 0 CAADMP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)N1CCCNC(=O)C1 ZINC001157888465 776631377 /nfs/dbraw/zinc/63/13/77/776631377.db2.gz DFNCXAZMABJEDH-LLVKDONJSA-N 2 1 283.376 -1.915 20 0 CAADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC[NH2+]CC(=O)N2CCC2)O1 ZINC001130186323 776644035 /nfs/dbraw/zinc/64/40/35/776644035.db2.gz FTQVBMSIXZZFSW-VXGBXAGGSA-N 2 1 298.387 -1.356 20 0 CAADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC[NH2+]CC(=O)N2CCC2)O1 ZINC001130186323 776644039 /nfs/dbraw/zinc/64/40/39/776644039.db2.gz FTQVBMSIXZZFSW-VXGBXAGGSA-N 2 1 298.387 -1.356 20 0 CAADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC[NH2+]CC(=O)NC2CC2)O1 ZINC001130180132 776644222 /nfs/dbraw/zinc/64/42/22/776644222.db2.gz CHWVLGJJGJWMRZ-ZYHUDNBSSA-N 2 1 298.387 -1.310 20 0 CAADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC[NH2+]CC(=O)NC2CC2)O1 ZINC001130180132 776644227 /nfs/dbraw/zinc/64/42/27/776644227.db2.gz CHWVLGJJGJWMRZ-ZYHUDNBSSA-N 2 1 298.387 -1.310 20 0 CAADMP CC[C@@H]([NH2+]CCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)C(N)=O ZINC001130182795 776644518 /nfs/dbraw/zinc/64/45/18/776644518.db2.gz WVFXECYLKMWFGG-GMTAPVOTSA-N 2 1 286.376 -1.325 20 0 CAADMP CC[C@@H]([NH2+]CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)C(N)=O ZINC001130182795 776644526 /nfs/dbraw/zinc/64/45/26/776644526.db2.gz WVFXECYLKMWFGG-GMTAPVOTSA-N 2 1 286.376 -1.325 20 0 CAADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC[NH2+]CC(=O)N(C)C)O1 ZINC001130180352 776644633 /nfs/dbraw/zinc/64/46/33/776644633.db2.gz OCXHVLIHQYCANT-GHMZBOCLSA-N 2 1 286.376 -1.501 20 0 CAADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC[NH2+]CC(=O)N(C)C)O1 ZINC001130180352 776644639 /nfs/dbraw/zinc/64/46/39/776644639.db2.gz OCXHVLIHQYCANT-GHMZBOCLSA-N 2 1 286.376 -1.501 20 0 CAADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC[NH2+]CCCO)O1 ZINC001130182576 776644870 /nfs/dbraw/zinc/64/48/70/776644870.db2.gz NUYRHKUUMMOCJY-GHMZBOCLSA-N 2 1 259.350 -1.206 20 0 CAADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC[NH2+]CCCO)O1 ZINC001130182576 776644875 /nfs/dbraw/zinc/64/48/75/776644875.db2.gz NUYRHKUUMMOCJY-GHMZBOCLSA-N 2 1 259.350 -1.206 20 0 CAADMP C[C@@]1(CO)CN(C(=O)C[NH2+]C2CC[NH2+]CC2)CC[C@H]1O ZINC001157942940 776647829 /nfs/dbraw/zinc/64/78/29/776647829.db2.gz AYMCIRIHCCLLIE-OCCSQVGLSA-N 2 1 285.388 -1.080 20 0 CAADMP C[N@H+]1CCCC[C@H]1C(=O)NCC[NH2+]CC(=O)NC(N)=O ZINC001130297766 776647861 /nfs/dbraw/zinc/64/78/61/776647861.db2.gz QVNLNJLDDVMUBQ-VIFPVBQESA-N 2 1 285.348 -1.629 20 0 CAADMP C[N@H+]1CCCC[C@@H]1C(=O)NCC[NH2+]CC(=O)NC(N)=O ZINC001130297765 776649270 /nfs/dbraw/zinc/64/92/70/776649270.db2.gz QVNLNJLDDVMUBQ-SECBINFHSA-N 2 1 285.348 -1.629 20 0 CAADMP CC[N@@H+](C)C(C)(C)C(=O)NCC[NH2+]CC(=O)NC(N)=O ZINC001130419151 776656222 /nfs/dbraw/zinc/65/62/22/776656222.db2.gz MWZDUAGDJQOLJT-UHFFFAOYSA-N 2 1 287.364 -1.383 20 0 CAADMP CCOC(=O)[C@@H]1CNCCN1C(=O)[C@@H]([NH3+])CC[NH3+] ZINC001157997583 776659670 /nfs/dbraw/zinc/65/96/70/776659670.db2.gz AAYXKRVISQTAGA-IUCAKERBSA-N 2 1 258.322 -1.974 20 0 CAADMP Cc1c[nH+]cn1CC(=O)NCC[NH2+]CC(=O)NC(N)=O ZINC001131380426 776691044 /nfs/dbraw/zinc/69/10/44/776691044.db2.gz LJUJJFPZKQLSPA-UHFFFAOYSA-N 2 1 282.304 -1.908 20 0 CAADMP Cc1c[nH+]cn1CC(=O)NCC[NH2+][C@@H]1CCNC1=O ZINC001131380738 776691466 /nfs/dbraw/zinc/69/14/66/776691466.db2.gz YUCWWSCPCOXIGD-SNVBAGLBSA-N 2 1 265.317 -1.214 20 0 CAADMP Cc1c[nH+]cn1CC(=O)NCC[NH2+]CCS(C)(=O)=O ZINC001131380373 776691727 /nfs/dbraw/zinc/69/17/27/776691727.db2.gz JXKDYAUIVQQOJS-UHFFFAOYSA-N 2 1 288.373 -1.058 20 0 CAADMP CNC(=O)C[NH2+]CCNC(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001131519941 776693393 /nfs/dbraw/zinc/69/33/93/776693393.db2.gz OOUHAHVPMSFOKV-CVZZAPKMSA-N 2 1 296.371 -1.699 20 0 CAADMP O=C(NCC[NH2+]CCO)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001131522199 776693412 /nfs/dbraw/zinc/69/34/12/776693412.db2.gz WLFSODSZBKKCPY-QWKFWESOSA-N 2 1 269.345 -1.452 20 0 CAADMP C[C@H]([NH2+]CCNC(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1)C(N)=O ZINC001131520290 776693490 /nfs/dbraw/zinc/69/34/90/776693490.db2.gz WXKAXKOPKSHSJB-MMIJRFEOSA-N 2 1 296.371 -1.571 20 0 CAADMP CNC(=O)C[NH2+]CCNC(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001131519942 776693512 /nfs/dbraw/zinc/69/35/12/776693512.db2.gz OOUHAHVPMSFOKV-IQLKVPPVSA-N 2 1 296.371 -1.699 20 0 CAADMP O=C(NCC[NH2+]CCCO)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001131521779 776693694 /nfs/dbraw/zinc/69/36/94/776693694.db2.gz HIRBXGGJCDBURR-MBHSVXNSSA-N 2 1 283.372 -1.062 20 0 CAADMP C[C@@H]([NH2+]CCNC(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1)C(N)=O ZINC001131520289 776693996 /nfs/dbraw/zinc/69/39/96/776693996.db2.gz WXKAXKOPKSHSJB-ICYKSAPQSA-N 2 1 296.371 -1.571 20 0 CAADMP N[C@H]1C[NH2+][C@H](C(=O)N2CC[C@@]34C[NH2+]C[C@@H](C[C@@H]3C2)O4)C1 ZINC001158546792 776715546 /nfs/dbraw/zinc/71/55/46/776715546.db2.gz MBMHCCIVJWDRLC-MPLKPFFPSA-N 2 1 280.372 -1.345 20 0 CAADMP CNC(=O)C[NH2+]CCNC(=O)[C@H]1C[N@H+](C(C)C)CCO1 ZINC001132848852 776752291 /nfs/dbraw/zinc/75/22/91/776752291.db2.gz UHJULPOGYORCIX-LLVKDONJSA-N 2 1 286.376 -1.453 20 0 CAADMP CC(C)[N@H+]1CCO[C@H](C(=O)NCC[NH2+][C@@H]2CCNC2=O)C1 ZINC001132858836 776752425 /nfs/dbraw/zinc/75/24/25/776752425.db2.gz LNPYPFWXFFRABT-NEPJUHHUSA-N 2 1 298.387 -1.310 20 0 CAADMP CC(C)[N@H+]1CCO[C@H](C(=O)NCC[NH2+]CCO)C1 ZINC001132848945 776752697 /nfs/dbraw/zinc/75/26/97/776752697.db2.gz XDYKEJJQAFSUTQ-NSHDSACASA-N 2 1 259.350 -1.206 20 0 CAADMP C[C@H]([NH2+]CCNC(=O)CC[NH+](C)C)c1nnnn1C ZINC001133298169 776775991 /nfs/dbraw/zinc/77/59/91/776775991.db2.gz ZAAXYAQDTARZHQ-VIFPVBQESA-N 2 1 269.353 -1.071 20 0 CAADMP C[C@@H]([NH2+]CCNC(=O)CC[NH+](C)C)c1nnnn1C ZINC001133298166 776776213 /nfs/dbraw/zinc/77/62/13/776776213.db2.gz ZAAXYAQDTARZHQ-SECBINFHSA-N 2 1 269.353 -1.071 20 0 CAADMP CNC(=O)C[NH2+]CCNC(=O)C[N@H+]1CCC[C@H]1C ZINC001133823349 776789298 /nfs/dbraw/zinc/78/92/98/776789298.db2.gz CQSUNIMKKUCWIE-SNVBAGLBSA-N 2 1 256.350 -1.078 20 0 CAADMP C[C@H]1CC[N@@H+](CC(=O)NCC[NH2+][C@@H]2CCNC2=O)C1 ZINC001133845759 776788832 /nfs/dbraw/zinc/78/88/32/776788832.db2.gz MRNJEJOGSDMTIL-WDEREUQCSA-N 2 1 268.361 -1.078 20 0 CAADMP C[C@H]([NH2+]CCNC(=O)C[N@H+]1CCC[C@H]1C)C(=O)NC(N)=O ZINC001133833818 776789146 /nfs/dbraw/zinc/78/91/46/776789146.db2.gz GXQXEFLPHIXVKD-ZJUUUORDSA-N 2 1 299.375 -1.240 20 0 CAADMP C[C@H]1CCC[N@H+]1CC(=O)NCC[NH2+]CC(=O)NC(N)=O ZINC001133819593 776789170 /nfs/dbraw/zinc/78/91/70/776789170.db2.gz IFEZWCURUOTYTC-VIFPVBQESA-N 2 1 285.348 -1.629 20 0 CAADMP C[C@@H]1CC[N@@H+](CC(=O)NCC[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001133846265 776789333 /nfs/dbraw/zinc/78/93/33/776789333.db2.gz XNQNQOHGMQEBNC-MNOVXSKESA-N 2 1 296.371 -1.161 20 0 CAADMP C[C@H]1CCC[N@H+]1CC(=O)NCC[NH2+][C@H]1CCC(=O)NC1=O ZINC001133819878 776789469 /nfs/dbraw/zinc/78/94/69/776789469.db2.gz QCAQUTCPQQSJQC-QWRGUYRKSA-N 2 1 296.371 -1.018 20 0 CAADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCC[NH2+]CCN1CCNC1=O ZINC001133863072 776789609 /nfs/dbraw/zinc/78/96/09/776789609.db2.gz JBWYDOIZMHOFAA-VXGBXAGGSA-N 2 1 297.403 -1.085 20 0 CAADMP C[C@H]([NH2+]CCNC(=O)C[N@H+]1CCC[C@@H]1C)C(=O)NC(N)=O ZINC001133833816 776790226 /nfs/dbraw/zinc/79/02/26/776790226.db2.gz GXQXEFLPHIXVKD-UWVGGRQHSA-N 2 1 299.375 -1.240 20 0 CAADMP C[C@H]1CC[N@@H+](CC(=O)NCC[NH2+][C@H]2CCNC2=O)C1 ZINC001133845758 776790286 /nfs/dbraw/zinc/79/02/86/776790286.db2.gz MRNJEJOGSDMTIL-QWRGUYRKSA-N 2 1 268.361 -1.078 20 0 CAADMP CNC(=O)C[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)C[C@H]1C ZINC001133863092 776790441 /nfs/dbraw/zinc/79/04/41/776790441.db2.gz JREJEFHHEIHQJF-ZJUUUORDSA-N 2 1 256.350 -1.364 20 0 CAADMP C[C@H]([NH2+]CCNC(=O)C[N@H+]1CC[C@@H](C)C1)C(=O)NC(N)=O ZINC001133851039 776790484 /nfs/dbraw/zinc/79/04/84/776790484.db2.gz VHSJDUUIUUXDQI-ZJUUUORDSA-N 2 1 299.375 -1.383 20 0 CAADMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCC[NH2+]CC(=O)N(C)C ZINC001133863548 776790610 /nfs/dbraw/zinc/79/06/10/776790610.db2.gz NWAKOMWBLQPVDV-WDEREUQCSA-N 2 1 270.377 -1.022 20 0 CAADMP C[C@@H]1CCC[N@H+]1CC(=O)NCC[NH2+][C@@H]1CCC(=O)NC1=O ZINC001133819876 776790649 /nfs/dbraw/zinc/79/06/49/776790649.db2.gz QCAQUTCPQQSJQC-GHMZBOCLSA-N 2 1 296.371 -1.018 20 0 CAADMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCC[NH2+]CCS(C)(=O)=O ZINC001133870954 776791873 /nfs/dbraw/zinc/79/18/73/776791873.db2.gz XWHKGDUFXTVRSD-WDEREUQCSA-N 2 1 291.417 -1.066 20 0 CAADMP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCC[NH2+]Cc1nnnn1C ZINC001133865245 776791980 /nfs/dbraw/zinc/79/19/80/776791980.db2.gz BAUJJSZFUGOEAR-ZJUUUORDSA-N 2 1 281.364 -1.386 20 0 CAADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC[NH2+]Cc1nnnn1C ZINC001133865245 776791988 /nfs/dbraw/zinc/79/19/88/776791988.db2.gz BAUJJSZFUGOEAR-ZJUUUORDSA-N 2 1 281.364 -1.386 20 0 CAADMP CNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H]1C[N@@H+](C)C[C@@H]1C ZINC001133869835 776792010 /nfs/dbraw/zinc/79/20/10/776792010.db2.gz MHUHXPBCQMNWQT-VHSXEESVSA-N 2 1 299.375 -1.655 20 0 CAADMP Cc1[nH+]cc2n1CC[C@@H](C(=O)NCC[NH2+]CC(N)=O)C2 ZINC001133869931 776792548 /nfs/dbraw/zinc/79/25/48/776792548.db2.gz NYTSBBWRLMPMDG-SNVBAGLBSA-N 2 1 279.344 -1.055 20 0 CAADMP CNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H]1C[N@@H+](C)C[C@H]1C ZINC001133869833 776792738 /nfs/dbraw/zinc/79/27/38/776792738.db2.gz MHUHXPBCQMNWQT-NXEZZACHSA-N 2 1 299.375 -1.655 20 0 CAADMP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCC[NH2+]Cc1nnnn1C ZINC001133865242 776792905 /nfs/dbraw/zinc/79/29/05/776792905.db2.gz BAUJJSZFUGOEAR-NXEZZACHSA-N 2 1 281.364 -1.386 20 0 CAADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCC[NH2+]Cc1nnnn1C ZINC001133865242 776792907 /nfs/dbraw/zinc/79/29/07/776792907.db2.gz BAUJJSZFUGOEAR-NXEZZACHSA-N 2 1 281.364 -1.386 20 0 CAADMP C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCC[NH2+]Cc1nnnn1C ZINC001133865244 776793008 /nfs/dbraw/zinc/79/30/08/776793008.db2.gz BAUJJSZFUGOEAR-VHSXEESVSA-N 2 1 281.364 -1.386 20 0 CAADMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCC[NH2+]Cc1nnnn1C ZINC001133865244 776793013 /nfs/dbraw/zinc/79/30/13/776793013.db2.gz BAUJJSZFUGOEAR-VHSXEESVSA-N 2 1 281.364 -1.386 20 0 CAADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCC[NH2+]CCS(C)(=O)=O ZINC001133870951 776793163 /nfs/dbraw/zinc/79/31/63/776793163.db2.gz XWHKGDUFXTVRSD-GHMZBOCLSA-N 2 1 291.417 -1.066 20 0 CAADMP CN(C[C@H](O)C[NH2+]CCCO)C(=O)[C@H]1CCC[N@H+]1C ZINC001284435449 777942093 /nfs/dbraw/zinc/94/20/93/777942093.db2.gz HSDWTZYLXKGHBD-VXGBXAGGSA-N 2 1 273.377 -1.128 20 0 CAADMP C[N@@H+]1CC[C@@H](C(=O)NCCNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001292607393 778042535 /nfs/dbraw/zinc/04/25/35/778042535.db2.gz IKKUKGFFIIEHMA-VXGBXAGGSA-N 2 1 298.387 -1.499 20 0 CAADMP C[N@H+]1CC[C@@H](C(=O)NCCNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001292607393 778042547 /nfs/dbraw/zinc/04/25/47/778042547.db2.gz IKKUKGFFIIEHMA-VXGBXAGGSA-N 2 1 298.387 -1.499 20 0 CAADMP C[NH+]1CC[C@@H](C(=O)NCCNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001292607393 778042560 /nfs/dbraw/zinc/04/25/60/778042560.db2.gz IKKUKGFFIIEHMA-VXGBXAGGSA-N 2 1 298.387 -1.499 20 0 CAADMP C[NH+]1CC[C@@H](C(=O)NCCNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001292607393 778042570 /nfs/dbraw/zinc/04/25/70/778042570.db2.gz IKKUKGFFIIEHMA-VXGBXAGGSA-N 2 1 298.387 -1.499 20 0 CAADMP C[N@@H+]1CC[C@@H](C(=O)NCCNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001292607390 778042645 /nfs/dbraw/zinc/04/26/45/778042645.db2.gz IKKUKGFFIIEHMA-NEPJUHHUSA-N 2 1 298.387 -1.499 20 0 CAADMP C[N@H+]1CC[C@@H](C(=O)NCCNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001292607390 778042656 /nfs/dbraw/zinc/04/26/56/778042656.db2.gz IKKUKGFFIIEHMA-NEPJUHHUSA-N 2 1 298.387 -1.499 20 0 CAADMP C[NH+]1CC[C@@H](C(=O)NCCNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001292607390 778042667 /nfs/dbraw/zinc/04/26/67/778042667.db2.gz IKKUKGFFIIEHMA-NEPJUHHUSA-N 2 1 298.387 -1.499 20 0 CAADMP C[NH+]1CC[C@@H](C(=O)NCCNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001292607390 778042679 /nfs/dbraw/zinc/04/26/79/778042679.db2.gz IKKUKGFFIIEHMA-NEPJUHHUSA-N 2 1 298.387 -1.499 20 0 CAADMP Cn1cc(C[N@H+]2CC[C@H](C[NH3+])C2)c(=O)n(C)c1=O ZINC001118178679 779550909 /nfs/dbraw/zinc/55/09/09/779550909.db2.gz FDAGNIRRPOZAEY-SECBINFHSA-N 2 1 252.318 -1.135 20 0 CAADMP C[C@@H](C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21)N1CC[NH+](C)CC1 ZINC001118270206 779559172 /nfs/dbraw/zinc/55/91/72/779559172.db2.gz YGLNKNYTSAPDIA-NNYUYHANSA-N 2 1 252.362 -1.044 20 0 CAADMP CN(C)c1[nH+]cc(CNC(=O)C(=O)N[C@H]2CC[NH2+]C2)n1C ZINC001118482395 779570884 /nfs/dbraw/zinc/57/08/84/779570884.db2.gz LYZWQBNOSXLEHR-VIFPVBQESA-N 2 1 294.359 -1.420 20 0 CAADMP CN(CC(C)(C)[NH3+])C(=O)C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC001118547924 779574423 /nfs/dbraw/zinc/57/44/23/779574423.db2.gz AENBOBPLMNDYEV-NSHDSACASA-N 2 1 299.419 -1.456 20 0 CAADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)N[C@@H]1CC[NH2+]C1 ZINC001118862672 779590942 /nfs/dbraw/zinc/59/09/42/779590942.db2.gz UQTCQMIAUNRJAC-MNOVXSKESA-N 2 1 255.366 -1.107 20 0 CAADMP C([C@@H]1CC2(C[NH2+]C2)CO1)N1CCNCC[NH2+]CC1 ZINC001119682246 779622996 /nfs/dbraw/zinc/62/29/96/779622996.db2.gz CJAVPDHLFHSXBG-LBPRGKRZSA-N 2 1 254.378 -1.140 20 0 CAADMP CNC(=O)[C@@H]1C[N@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)CCO1 ZINC001119682300 779623127 /nfs/dbraw/zinc/62/31/27/779623127.db2.gz FIIKXKNMGCGQFD-QWRGUYRKSA-N 2 1 269.345 -1.188 20 0 CAADMP CNC(=O)[C@@H]1C[N@@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)CCO1 ZINC001119682300 779623130 /nfs/dbraw/zinc/62/31/30/779623130.db2.gz FIIKXKNMGCGQFD-QWRGUYRKSA-N 2 1 269.345 -1.188 20 0 CAADMP COCCCNC(=O)CN1CC[NH2+]CC[NH2+]CC1 ZINC001119682980 779623348 /nfs/dbraw/zinc/62/33/48/779623348.db2.gz XCALUZCHSHEDQX-UHFFFAOYSA-N 2 1 258.366 -1.366 20 0 CAADMP CNC(=O)[C@H]1C[N@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)CCO1 ZINC001119682301 779623450 /nfs/dbraw/zinc/62/34/50/779623450.db2.gz FIIKXKNMGCGQFD-WDEREUQCSA-N 2 1 269.345 -1.188 20 0 CAADMP CNC(=O)[C@H]1C[N@@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)CCO1 ZINC001119682301 779623452 /nfs/dbraw/zinc/62/34/52/779623452.db2.gz FIIKXKNMGCGQFD-WDEREUQCSA-N 2 1 269.345 -1.188 20 0 CAADMP C([C@H]1CC2(C[NH2+]C2)CO1)N1CCNCC[NH2+]CC1 ZINC001119682245 779623750 /nfs/dbraw/zinc/62/37/50/779623750.db2.gz CJAVPDHLFHSXBG-GFCCVEGCSA-N 2 1 254.378 -1.140 20 0 CAADMP COCC[N@H+]1CC[C@H](NC(=O)C(=O)N[C@H]2C[C@H](C[NH3+])C2)C1 ZINC001120526121 779640302 /nfs/dbraw/zinc/64/03/02/779640302.db2.gz XQSSKGGINPLBBQ-SRVKXCTJSA-N 2 1 298.387 -1.323 20 0 CAADMP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)N[C@H]2C[C@H](C[NH3+])C2)C1 ZINC001120526119 779641010 /nfs/dbraw/zinc/64/10/10/779641010.db2.gz XQSSKGGINPLBBQ-IJLUTSLNSA-N 2 1 298.387 -1.323 20 0 CAADMP C[C@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N(C)CCN1CC[NH2+]CC1 ZINC001121810635 779650559 /nfs/dbraw/zinc/65/05/59/779650559.db2.gz LQAKCNDEAJYRIW-UONOGXRCSA-N 2 1 295.431 -1.262 20 0 CAADMP C[C@]1(C(=O)NCCC[NH+]2CCOCC2)C[C@@H](O)C[NH2+]1 ZINC001121975246 779654230 /nfs/dbraw/zinc/65/42/30/779654230.db2.gz OLFMKXDLLHBAHS-DGCLKSJQSA-N 2 1 271.361 -1.062 20 0 CAADMP C[C@@]1(C(=O)NCCC[NH+]2CCOCC2)C[C@H](O)C[NH2+]1 ZINC001121975244 779654442 /nfs/dbraw/zinc/65/44/42/779654442.db2.gz OLFMKXDLLHBAHS-AAEUAGOBSA-N 2 1 271.361 -1.062 20 0 CAADMP C[C@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001122022735 779655621 /nfs/dbraw/zinc/65/56/21/779655621.db2.gz VJDHCADSLXTTCV-PREPNJAASA-N 2 1 250.346 -1.291 20 0 CAADMP COC(=O)CC[N@@H+]1CCN(C(=O)CNCC[NH3+])[C@H](C)C1 ZINC001122054815 779656377 /nfs/dbraw/zinc/65/63/77/779656377.db2.gz RZNBIKYNZKJJHE-LLVKDONJSA-N 2 1 286.376 -1.370 20 0 CAADMP COC(=O)CC[N@H+]1CCN(C(=O)CNCC[NH3+])[C@H](C)C1 ZINC001122054815 779656383 /nfs/dbraw/zinc/65/63/83/779656383.db2.gz RZNBIKYNZKJJHE-LLVKDONJSA-N 2 1 286.376 -1.370 20 0 CAADMP CCN1CC[NH+](CCC(=O)NC[C@@H](O)C[NH3+])CC1 ZINC001122149041 779659481 /nfs/dbraw/zinc/65/94/81/779659481.db2.gz RBBMKKCWXKZFOF-NSHDSACASA-N 2 1 258.366 -1.550 20 0 CAADMP C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N(C)CCOCC[NH3+] ZINC001122172973 779661156 /nfs/dbraw/zinc/66/11/56/779661156.db2.gz ZBNFWSYQPJKATF-VXGBXAGGSA-N 2 1 270.377 -1.192 20 0 CAADMP O=C(N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO)C1(O)C[NH2+]C1 ZINC001122442448 779668824 /nfs/dbraw/zinc/66/88/24/779668824.db2.gz PLMDNIIUCYSIOH-GHMZBOCLSA-N 2 1 269.345 -1.622 20 0 CAADMP CO[C@@H](C[NH3+])C(=O)N[C@H](C)[C@H]1C[N@@H+](C)CCN1C ZINC001122449685 779669035 /nfs/dbraw/zinc/66/90/35/779669035.db2.gz WPKMRRMFJVNEOS-MXWKQRLJSA-N 2 1 258.366 -1.289 20 0 CAADMP CNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001124867732 779719505 /nfs/dbraw/zinc/71/95/05/779719505.db2.gz YQVHSNZZZZYWQK-ZJUUUORDSA-N 2 1 299.375 -1.370 20 0 CAADMP C[N@H+]1CCC[C@@H]1C(=O)NCC[NH2+]CCN1CCNC1=O ZINC001124879490 779719999 /nfs/dbraw/zinc/71/99/99/779719999.db2.gz VBDQLWIPCCHNEZ-LLVKDONJSA-N 2 1 283.376 -1.188 20 0 CAADMP C[C@H]([NH2+]CCNC(=O)[C@@H]1CCC[N@H+]1C)C(=O)NC(N)=O ZINC001124866346 779720074 /nfs/dbraw/zinc/72/00/74/779720074.db2.gz AOQJJLFUGKEVIZ-IUCAKERBSA-N 2 1 285.348 -1.630 20 0 CAADMP C[N@@H+]1CCO[C@H](C(=O)NCC[NH2+]CCn2cccn2)C1 ZINC001125209617 779723611 /nfs/dbraw/zinc/72/36/11/779723611.db2.gz WYXAXLDGTOHSOD-LBPRGKRZSA-N 2 1 281.360 -1.081 20 0 CAADMP C[N@H+]1CCO[C@H](C(=O)NCC[NH2+]CCn2cccn2)C1 ZINC001125209617 779723614 /nfs/dbraw/zinc/72/36/14/779723614.db2.gz WYXAXLDGTOHSOD-LBPRGKRZSA-N 2 1 281.360 -1.081 20 0 CAADMP C[N@@H+]1CCO[C@H](C(=O)NCC[NH2+]CC(=O)N2CCC2)C1 ZINC001125214401 779723769 /nfs/dbraw/zinc/72/37/69/779723769.db2.gz SIUFQTKIHBXGGJ-NSHDSACASA-N 2 1 284.360 -1.745 20 0 CAADMP C[N@H+]1CCO[C@H](C(=O)NCC[NH2+]CC(=O)N2CCC2)C1 ZINC001125214401 779723774 /nfs/dbraw/zinc/72/37/74/779723774.db2.gz SIUFQTKIHBXGGJ-NSHDSACASA-N 2 1 284.360 -1.745 20 0 CAADMP Cn1nccc1C[NH2+]CCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001125213879 779723818 /nfs/dbraw/zinc/72/38/18/779723818.db2.gz MGUUBRPZXQQGAZ-GFCCVEGCSA-N 2 1 281.360 -1.044 20 0 CAADMP Cn1nccc1C[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001125213879 779723822 /nfs/dbraw/zinc/72/38/22/779723822.db2.gz MGUUBRPZXQQGAZ-GFCCVEGCSA-N 2 1 281.360 -1.044 20 0 CAADMP C[N@@H+]1CCO[C@H](C(=O)NCC[NH2+]CC(=O)NCC2CC2)C1 ZINC001125213291 779724359 /nfs/dbraw/zinc/72/43/59/779724359.db2.gz CXNXHDOMCCEJKF-LBPRGKRZSA-N 2 1 298.387 -1.451 20 0 CAADMP C[N@H+]1CCO[C@H](C(=O)NCC[NH2+]CC(=O)NCC2CC2)C1 ZINC001125213291 779724361 /nfs/dbraw/zinc/72/43/61/779724361.db2.gz CXNXHDOMCCEJKF-LBPRGKRZSA-N 2 1 298.387 -1.451 20 0 CAADMP C[C@H]([NH2+]CCNC(=O)[C@@H]1C[N@H+](C)CCO1)C(=O)NC1CC1 ZINC001125203345 779724453 /nfs/dbraw/zinc/72/44/53/779724453.db2.gz MACHDUIEXBCQFX-JQWIXIFHSA-N 2 1 298.387 -1.310 20 0 CAADMP C[C@H]([NH2+]CCNC(=O)[C@@H]1C[N@@H+](C)CCO1)C(=O)NC1CC1 ZINC001125203345 779724457 /nfs/dbraw/zinc/72/44/57/779724457.db2.gz MACHDUIEXBCQFX-JQWIXIFHSA-N 2 1 298.387 -1.310 20 0 CAADMP CCN(C)C(=O)C[NH2+]CCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001125213909 779724526 /nfs/dbraw/zinc/72/45/26/779724526.db2.gz MQQVXEDZIFXOIV-NSHDSACASA-N 2 1 286.376 -1.499 20 0 CAADMP CCN(C)C(=O)C[NH2+]CCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001125213909 779724529 /nfs/dbraw/zinc/72/45/29/779724529.db2.gz MQQVXEDZIFXOIV-NSHDSACASA-N 2 1 286.376 -1.499 20 0 CAADMP Cn1cc(C[NH2+]CCNC(=O)[C@H]2C[N@H+](C)CCO2)cn1 ZINC001125213346 779724730 /nfs/dbraw/zinc/72/47/30/779724730.db2.gz GEKYWWJZFNDIKK-GFCCVEGCSA-N 2 1 281.360 -1.044 20 0 CAADMP Cn1cc(C[NH2+]CCNC(=O)[C@H]2C[N@@H+](C)CCO2)cn1 ZINC001125213346 779724736 /nfs/dbraw/zinc/72/47/36/779724736.db2.gz GEKYWWJZFNDIKK-GFCCVEGCSA-N 2 1 281.360 -1.044 20 0 CAADMP COC[C@@H](O)C[NH2+]CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001151058101 779801730 /nfs/dbraw/zinc/80/17/30/779801730.db2.gz WIDRNKOPNMDCRU-MNOVXSKESA-N 2 1 259.350 -1.349 20 0 CAADMP C[N@H+]1CC[C@@H](C(=O)NCC[NH2+]CC(=O)N2CCOCC2)C1 ZINC001151049170 779801820 /nfs/dbraw/zinc/80/18/20/779801820.db2.gz JGWFSCTZVCAJJK-GFCCVEGCSA-N 2 1 298.387 -1.497 20 0 CAADMP C[C@H]([NH2+]CCNC(=O)[C@@H]1CC[N@H+](C)C1)c1nnnn1C ZINC001151057056 779801994 /nfs/dbraw/zinc/80/19/94/779801994.db2.gz RBQHOWLNTBHNMO-VHSXEESVSA-N 2 1 281.364 -1.071 20 0 CAADMP C[C@H]([NH2+]CCNC(=O)[C@@H]1CC[N@@H+](C)C1)c1nnnn1C ZINC001151057056 779801999 /nfs/dbraw/zinc/80/19/99/779801999.db2.gz RBQHOWLNTBHNMO-VHSXEESVSA-N 2 1 281.364 -1.071 20 0 CAADMP Cn1cnnc1C[NH2+]CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001151048999 779802064 /nfs/dbraw/zinc/80/20/64/779802064.db2.gz GPGOSZQDLQZCQU-JTQLQIEISA-N 2 1 266.349 -1.027 20 0 CAADMP Cn1cnnc1C[NH2+]CCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001151048999 779802072 /nfs/dbraw/zinc/80/20/72/779802072.db2.gz GPGOSZQDLQZCQU-JTQLQIEISA-N 2 1 266.349 -1.027 20 0 CAADMP CC[C@H]([NH2+]CCNC(=O)[C@@H]1CC[N@@H+](C)C1)C(N)=O ZINC001151064370 779802182 /nfs/dbraw/zinc/80/21/82/779802182.db2.gz ARMUPYBNBBGPAZ-ZJUUUORDSA-N 2 1 256.350 -1.092 20 0 CAADMP Cn1ncnc1C[NH2+]CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001151049536 779802256 /nfs/dbraw/zinc/80/22/56/779802256.db2.gz RMZSIARDBNYPAI-JTQLQIEISA-N 2 1 266.349 -1.027 20 0 CAADMP Cn1ncnc1C[NH2+]CCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001151049536 779802262 /nfs/dbraw/zinc/80/22/62/779802262.db2.gz RMZSIARDBNYPAI-JTQLQIEISA-N 2 1 266.349 -1.027 20 0 CAADMP C[N@H+]1CC[C@@H](C(=O)NCC[NH2+]CCNS(C)(=O)=O)C1 ZINC001151065010 779802381 /nfs/dbraw/zinc/80/23/81/779802381.db2.gz GYSXLTYOGZFDQT-SNVBAGLBSA-N 2 1 292.405 -1.807 20 0 CAADMP C[N@H+]1CC[C@@H](C(=O)NCC[NH2+]CCN2C(=O)CCC2=O)C1 ZINC001151072988 779802413 /nfs/dbraw/zinc/80/24/13/779802413.db2.gz CACDEJSYSYHTSP-LLVKDONJSA-N 2 1 296.371 -1.207 20 0 CAADMP C[N@H+]1CC[C@@H](C(=O)NCC[NH2+]CC(=O)NC(N)=O)C1 ZINC001151048756 779802524 /nfs/dbraw/zinc/80/25/24/779802524.db2.gz FOUQIVKSQKFKKS-MRVPVSSYSA-N 2 1 271.321 -2.161 20 0 CAADMP C[N@H+]1CC[C@@H](C(=O)NCC[NH2+]CCN2CCNC2=O)C1 ZINC001151064359 779802797 /nfs/dbraw/zinc/80/27/97/779802797.db2.gz AOXVPYYZXTWCQB-LLVKDONJSA-N 2 1 283.376 -1.331 20 0 CAADMP C[N@H+]1CC[C@@H](C(=O)NCC[NH2+]CC(=O)N2CCC2)C1 ZINC001151044370 779802855 /nfs/dbraw/zinc/80/28/55/779802855.db2.gz RPBBGHQAJMIPIJ-LLVKDONJSA-N 2 1 268.361 -1.124 20 0 CAADMP C[N@H+]1CC[C@H](C(=O)NCC[NH2+]CCNS(C)(=O)=O)C1 ZINC001151065005 779803007 /nfs/dbraw/zinc/80/30/07/779803007.db2.gz GYSXLTYOGZFDQT-JTQLQIEISA-N 2 1 292.405 -1.807 20 0 CAADMP C[N@H+]1CC[C@H](C(=O)NCC[NH2+][C@H]2CCCNC2=O)C1 ZINC001151049546 779803158 /nfs/dbraw/zinc/80/31/58/779803158.db2.gz RQHCAIRPUYMXKB-QWRGUYRKSA-N 2 1 268.361 -1.078 20 0 CAADMP C[C@@H]([NH2+]CCNC(=O)[C@H]1CC[N@H+](C)C1)c1nnnn1C ZINC001151057057 779803420 /nfs/dbraw/zinc/80/34/20/779803420.db2.gz RBQHOWLNTBHNMO-ZJUUUORDSA-N 2 1 281.364 -1.071 20 0 CAADMP C[C@@H]([NH2+]CCNC(=O)[C@H]1CC[N@@H+](C)C1)c1nnnn1C ZINC001151057057 779803425 /nfs/dbraw/zinc/80/34/25/779803425.db2.gz RBQHOWLNTBHNMO-ZJUUUORDSA-N 2 1 281.364 -1.071 20 0 CAADMP C[C@@H]([NH2+]CCNC(=O)[C@@H]1CC[N@@H+](C)C1)C(=O)NC(N)=O ZINC001151074380 779804417 /nfs/dbraw/zinc/80/44/17/779804417.db2.gz XLGRCWRYYSUNOD-RKDXNWHRSA-N 2 1 285.348 -1.773 20 0 CAADMP COC[C@@H](O)C[NH2+]CCNC(=O)Cn1cc[nH+]c1C ZINC001151113964 779804466 /nfs/dbraw/zinc/80/44/66/779804466.db2.gz DBEAOSACUVQWKO-NSHDSACASA-N 2 1 270.333 -1.095 20 0 CAADMP COC[C@H](O)C[NH2+]CCNC(=O)Cn1cc[nH+]c1C ZINC001151113963 779804888 /nfs/dbraw/zinc/80/48/88/779804888.db2.gz DBEAOSACUVQWKO-LLVKDONJSA-N 2 1 270.333 -1.095 20 0 CAADMP C[C@@H]([NH2+]CCNC(=O)[C@H]1CC[N@@H+](C)C1)C(=O)NC(N)=O ZINC001151074377 779805369 /nfs/dbraw/zinc/80/53/69/779805369.db2.gz XLGRCWRYYSUNOD-BDAKNGLRSA-N 2 1 285.348 -1.773 20 0 CAADMP CC[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+][C@H](C)C(N)=O)C1 ZINC001151737822 779812860 /nfs/dbraw/zinc/81/28/60/779812860.db2.gz FRNMHKLDJXGOBF-NXEZZACHSA-N 2 1 272.349 -1.713 20 0 CAADMP CC[N@H+]1CCO[C@@H](C(=O)NCC[NH2+][C@H](C)C(N)=O)C1 ZINC001151737822 779812864 /nfs/dbraw/zinc/81/28/64/779812864.db2.gz FRNMHKLDJXGOBF-NXEZZACHSA-N 2 1 272.349 -1.713 20 0 CAADMP CC[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+][C@@H](C)C(N)=O)C1 ZINC001151737828 779812892 /nfs/dbraw/zinc/81/28/92/779812892.db2.gz FRNMHKLDJXGOBF-VHSXEESVSA-N 2 1 272.349 -1.713 20 0 CAADMP CC[N@H+]1CCO[C@@H](C(=O)NCC[NH2+][C@@H](C)C(N)=O)C1 ZINC001151737828 779812897 /nfs/dbraw/zinc/81/28/97/779812897.db2.gz FRNMHKLDJXGOBF-VHSXEESVSA-N 2 1 272.349 -1.713 20 0 CAADMP CC[N@H+]1CCO[C@H](C(=O)NCC[NH2+][C@H](C)C(N)=O)C1 ZINC001151737829 779813878 /nfs/dbraw/zinc/81/38/78/779813878.db2.gz FRNMHKLDJXGOBF-ZJUUUORDSA-N 2 1 272.349 -1.713 20 0 CAADMP CC[N@@H+]1CCO[C@H](C(=O)NCC[NH2+]CC(=O)N(C)C)C1 ZINC001151737429 779813510 /nfs/dbraw/zinc/81/35/10/779813510.db2.gz CZTAZPOHHLEOMF-NSHDSACASA-N 2 1 286.376 -1.499 20 0 CAADMP CC[N@H+]1CCO[C@H](C(=O)NCC[NH2+]CC(=O)N(C)C)C1 ZINC001151737429 779813517 /nfs/dbraw/zinc/81/35/17/779813517.db2.gz CZTAZPOHHLEOMF-NSHDSACASA-N 2 1 286.376 -1.499 20 0 CAADMP CC[N@@H+]1CCO[C@H](C(=O)NCC[NH2+][C@H](C)C(N)=O)C1 ZINC001151737829 779813872 /nfs/dbraw/zinc/81/38/72/779813872.db2.gz FRNMHKLDJXGOBF-ZJUUUORDSA-N 2 1 272.349 -1.713 20 0 CAADMP CC[N@@H+]1CCO[C@H](C(=O)NCC[NH2+][C@@H](C)C(=O)NC)C1 ZINC001151740489 779814811 /nfs/dbraw/zinc/81/48/11/779814811.db2.gz UQHDZBMPJUFLDG-QWRGUYRKSA-N 2 1 286.376 -1.453 20 0 CAADMP CC[N@H+]1CCO[C@H](C(=O)NCC[NH2+][C@@H](C)C(=O)NC)C1 ZINC001151740489 779814821 /nfs/dbraw/zinc/81/48/21/779814821.db2.gz UQHDZBMPJUFLDG-QWRGUYRKSA-N 2 1 286.376 -1.453 20 0 CAADMP CC[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+][C@H]2CCCNC2=O)C1 ZINC001151739337 779814916 /nfs/dbraw/zinc/81/49/16/779814916.db2.gz KYWNPLRUQVNHCO-NWDGAFQWSA-N 2 1 298.387 -1.309 20 0 CAADMP CC[N@H+]1CCO[C@@H](C(=O)NCC[NH2+][C@H]2CCCNC2=O)C1 ZINC001151739337 779814924 /nfs/dbraw/zinc/81/49/24/779814924.db2.gz KYWNPLRUQVNHCO-NWDGAFQWSA-N 2 1 298.387 -1.309 20 0 CAADMP CC[N@@H+]1CCO[C@H](C(=O)NCC[NH2+]CC(=O)NC)C1 ZINC001151739852 779815141 /nfs/dbraw/zinc/81/51/41/779815141.db2.gz ODIZNUBKXCCJTB-JTQLQIEISA-N 2 1 272.349 -1.841 20 0 CAADMP CC[N@H+]1CCO[C@H](C(=O)NCC[NH2+]CC(=O)NC)C1 ZINC001151739852 779815149 /nfs/dbraw/zinc/81/51/49/779815149.db2.gz ODIZNUBKXCCJTB-JTQLQIEISA-N 2 1 272.349 -1.841 20 0 CAADMP CC[C@H]([NH2+]CCNC(=O)[C@H]1C[N@H+](CC)CCO1)C(N)=O ZINC001151740252 779816079 /nfs/dbraw/zinc/81/60/79/779816079.db2.gz QZMNSTSCVAHRPN-WDEREUQCSA-N 2 1 286.376 -1.323 20 0 CAADMP CC[C@H]([NH2+]CCNC(=O)[C@H]1C[N@@H+](CC)CCO1)C(N)=O ZINC001151740252 779816087 /nfs/dbraw/zinc/81/60/87/779816087.db2.gz QZMNSTSCVAHRPN-WDEREUQCSA-N 2 1 286.376 -1.323 20 0 CAADMP C[C@@H]([NH2+]CCCNC(=O)[C@H]1CCC[N@H+]1C)C(=O)NC(N)=O ZINC001155821915 779877075 /nfs/dbraw/zinc/87/70/75/779877075.db2.gz FDNLZGMJZISAFO-NXEZZACHSA-N 2 1 299.375 -1.240 20 0 CAADMP Cn1nnnc1C[NH2+]CCCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001155791602 779877166 /nfs/dbraw/zinc/87/71/66/779877166.db2.gz XRTZPRILACLRIL-JTQLQIEISA-N 2 1 281.364 -1.100 20 0 CAADMP C[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+][C@H]1CCC(=O)NC1=O ZINC001155795528 779877514 /nfs/dbraw/zinc/87/75/14/779877514.db2.gz HSBBDQUTDBTOSZ-QWRGUYRKSA-N 2 1 296.371 -1.018 20 0 CAADMP CNC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@H]1CCC[N@H+]1C ZINC001155791822 779878111 /nfs/dbraw/zinc/87/81/11/779878111.db2.gz YSPLLSCDOWLQQT-SNVBAGLBSA-N 2 1 299.375 -1.368 20 0 CAADMP COC[C@@H](O)C[NH2+]CCCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001156145934 779882332 /nfs/dbraw/zinc/88/23/32/779882332.db2.gz QYOMWMSAINGTOC-RYUDHWBXSA-N 2 1 289.376 -1.580 20 0 CAADMP COC[C@@H](O)C[NH2+]CCCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001156145934 779882339 /nfs/dbraw/zinc/88/23/39/779882339.db2.gz QYOMWMSAINGTOC-RYUDHWBXSA-N 2 1 289.376 -1.580 20 0 CAADMP C[N@@H+]1CCO[C@H](C(=O)NCCC[NH2+]CCOCCO)C1 ZINC001156126618 779882859 /nfs/dbraw/zinc/88/28/59/779882859.db2.gz ZHBJJPRNDZXPOP-LBPRGKRZSA-N 2 1 289.376 -1.578 20 0 CAADMP C[N@H+]1CCO[C@H](C(=O)NCCC[NH2+]CCOCCO)C1 ZINC001156126618 779882866 /nfs/dbraw/zinc/88/28/66/779882866.db2.gz ZHBJJPRNDZXPOP-LBPRGKRZSA-N 2 1 289.376 -1.578 20 0 CAADMP C[N@@H+]1CCO[C@@H](C(=O)NCCC[NH2+]CC(N)=O)C1 ZINC001156144709 779882880 /nfs/dbraw/zinc/88/28/80/779882880.db2.gz FIKLLLUJGKIWIV-SECBINFHSA-N 2 1 258.322 -2.102 20 0 CAADMP C[N@H+]1CCO[C@@H](C(=O)NCCC[NH2+]CC(N)=O)C1 ZINC001156144709 779882889 /nfs/dbraw/zinc/88/28/89/779882889.db2.gz FIKLLLUJGKIWIV-SECBINFHSA-N 2 1 258.322 -2.102 20 0 CAADMP C[C@H](O)C[NH2+]CCCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001156145656 779883034 /nfs/dbraw/zinc/88/30/34/779883034.db2.gz NHVBQXBEPDATRT-QWRGUYRKSA-N 2 1 259.350 -1.206 20 0 CAADMP C[C@H](O)C[NH2+]CCCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001156145656 779883037 /nfs/dbraw/zinc/88/30/37/779883037.db2.gz NHVBQXBEPDATRT-QWRGUYRKSA-N 2 1 259.350 -1.206 20 0 CAADMP C[N@@H+]1CCO[C@@H](C(=O)NCCC[NH2+][C@H]2CCCNC2=O)C1 ZINC001156145517 779883071 /nfs/dbraw/zinc/88/30/71/779883071.db2.gz MOZWHBLCYYXHJP-NWDGAFQWSA-N 2 1 298.387 -1.309 20 0 CAADMP C[N@H+]1CCO[C@@H](C(=O)NCCC[NH2+][C@H]2CCCNC2=O)C1 ZINC001156145517 779883078 /nfs/dbraw/zinc/88/30/78/779883078.db2.gz MOZWHBLCYYXHJP-NWDGAFQWSA-N 2 1 298.387 -1.309 20 0 CAADMP CC[C@@H]([NH2+]CCCNC(=O)[C@H]1C[N@H+](C)CCO1)C(N)=O ZINC001156125208 779883389 /nfs/dbraw/zinc/88/33/89/779883389.db2.gz LEZJKNZFXFLDSM-GHMZBOCLSA-N 2 1 286.376 -1.323 20 0 CAADMP CC[C@@H]([NH2+]CCCNC(=O)[C@H]1C[N@@H+](C)CCO1)C(N)=O ZINC001156125208 779883394 /nfs/dbraw/zinc/88/33/94/779883394.db2.gz LEZJKNZFXFLDSM-GHMZBOCLSA-N 2 1 286.376 -1.323 20 0 CAADMP C[C@@H](O)C[NH2+]CCCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001156145655 779883578 /nfs/dbraw/zinc/88/35/78/779883578.db2.gz NHVBQXBEPDATRT-MNOVXSKESA-N 2 1 259.350 -1.206 20 0 CAADMP C[C@@H](O)C[NH2+]CCCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001156145655 779883587 /nfs/dbraw/zinc/88/35/87/779883587.db2.gz NHVBQXBEPDATRT-MNOVXSKESA-N 2 1 259.350 -1.206 20 0 CAADMP CC[C@H]([NH2+]CCCNC(=O)[C@@H]1C[N@H+](C)CCO1)C(N)=O ZINC001156125210 779883738 /nfs/dbraw/zinc/88/37/38/779883738.db2.gz LEZJKNZFXFLDSM-QWRGUYRKSA-N 2 1 286.376 -1.323 20 0 CAADMP CC[C@H]([NH2+]CCCNC(=O)[C@@H]1C[N@@H+](C)CCO1)C(N)=O ZINC001156125210 779883746 /nfs/dbraw/zinc/88/37/46/779883746.db2.gz LEZJKNZFXFLDSM-QWRGUYRKSA-N 2 1 286.376 -1.323 20 0 CAADMP C[NH+]1CCN(c2ccc(-n3nnc(CC[NH3+])n3)nn2)CC1 ZINC001156985897 779893362 /nfs/dbraw/zinc/89/33/62/779893362.db2.gz PKSYCAVLOHJAQA-UHFFFAOYSA-N 2 1 289.347 -1.295 20 0 CAADMP [NH3+]CC[C@H]([NH3+])C(=O)NCc1cc2n(n1)CCCO2 ZINC001157082287 779895092 /nfs/dbraw/zinc/89/50/92/779895092.db2.gz KHICCCZPEBZGEV-VIFPVBQESA-N 2 1 253.306 -1.042 20 0 CAADMP CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001157323175 779899722 /nfs/dbraw/zinc/89/97/22/779899722.db2.gz CQBMQCJDJJNHGE-QWRGUYRKSA-N 2 1 286.376 -1.323 20 0 CAADMP CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001157323175 779899726 /nfs/dbraw/zinc/89/97/26/779899726.db2.gz CQBMQCJDJJNHGE-QWRGUYRKSA-N 2 1 286.376 -1.323 20 0 CAADMP CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H]1COC[NH2+]1 ZINC001157323510 779899747 /nfs/dbraw/zinc/89/97/47/779899747.db2.gz SRAGCBQZADJIQG-IUCAKERBSA-N 2 1 258.322 -1.708 20 0 CAADMP CNC(=O)[C@H](CCCC[NH3+])NC(=O)C[NH2+]CCC[NH3+] ZINC001157336972 779900533 /nfs/dbraw/zinc/90/05/33/779900533.db2.gz RVIVOQMOLPCAHI-JTQLQIEISA-N 3 1 273.381 -1.715 20 0 CAADMP Cc1cc(N(C(N)=[NH2+])C(=O)CN2CC[NH2+]CC2)n[nH]1 ZINC001157440071 779902599 /nfs/dbraw/zinc/90/25/99/779902599.db2.gz RWFDGRYSXKQZSN-UHFFFAOYSA-N 2 1 265.321 -1.150 20 0 CAADMP Cc1cc(N(C(=N)N)C(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)n[nH]1 ZINC001157439567 779902620 /nfs/dbraw/zinc/90/26/20/779902620.db2.gz KGVHFSPAVHLSNX-MRVPVSSYSA-N 2 1 277.332 -1.246 20 0 CAADMP Cc1cc(N(C(N)=[NH2+])C(=O)[C@@H]2C[C@@H]([NH3+])CN2)n[nH]1 ZINC001157440392 779903276 /nfs/dbraw/zinc/90/32/76/779903276.db2.gz VGPDRJAWLYRBEC-RQJHMYQMSA-N 2 1 251.294 -1.366 20 0 CAADMP CCOC(=O)CC1([NH3+])CCN(C(=O)[C@@H]2C[C@@H](N)C[NH2+]2)CC1 ZINC001157448904 779903575 /nfs/dbraw/zinc/90/35/75/779903575.db2.gz OMDCEZAFGOTRLC-MNOVXSKESA-N 2 1 298.387 -1.051 20 0 CAADMP C[NH+]1CCN(C(=O)[C@H]2COC3(C[NH2+]C3)CN2)CC1 ZINC001157450486 779904052 /nfs/dbraw/zinc/90/40/52/779904052.db2.gz COUKBKYICWDCEH-SNVBAGLBSA-N 2 1 254.334 -1.909 20 0 CAADMP C[NH+]1CCN(C(=O)[C@H]([NH3+])CCCNC(N)=O)CC1 ZINC001157451234 779904174 /nfs/dbraw/zinc/90/41/74/779904174.db2.gz QDMIDYRSBFEDFN-SECBINFHSA-N 2 1 257.338 -1.464 20 0 CAADMP [NH3+]CC[C@H]([NH3+])C(=O)N1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC001157496978 779905880 /nfs/dbraw/zinc/90/58/80/779905880.db2.gz LEXDITRXYNRHAJ-WDEREUQCSA-N 2 1 284.360 -1.488 20 0 CAADMP N[C@@H](CN1CCC([NH3+])CC1)C(=O)N1C[C@@H](F)[C@@H]([NH3+])C1 ZINC001157544959 779908835 /nfs/dbraw/zinc/90/88/35/779908835.db2.gz KBFQXIOLXUJOCD-VWYCJHECSA-N 2 1 273.356 -1.756 20 0 CAADMP CN(C[C@H]1C[NH2+]CCO1)C(=O)[C@@H]([NH3+])Cc1c[nH]cn1 ZINC001157715343 779910724 /nfs/dbraw/zinc/91/07/24/779910724.db2.gz DRQUIXLMXZDJRX-MNOVXSKESA-N 2 1 267.333 -1.274 20 0 CAADMP COC(=O)[C@@H]([NH3+])CCC(=O)N(C)C[C@H]1C[NH2+]CCO1 ZINC001157715564 779910952 /nfs/dbraw/zinc/91/09/52/779910952.db2.gz GRQXSFHHDCNTIK-ZJUUUORDSA-N 2 1 273.333 -1.286 20 0 CAADMP CCNC(=O)CN(C)C(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001157679679 779910972 /nfs/dbraw/zinc/91/09/72/779910972.db2.gz VACGQZQCWZAQAG-LLVKDONJSA-N 2 1 285.392 -1.669 20 0 CAADMP CN(C[C@@H]1C[NH2+]CCO1)C(=O)[C@H](N)CN1CCC([NH3+])CC1 ZINC001157721388 779911723 /nfs/dbraw/zinc/91/17/23/779911723.db2.gz XIDIBUXKHVBURG-QWHCGFSZSA-N 2 1 299.419 -1.816 20 0 CAADMP [NH3+]Cc1ncn(-c2cncc(N3CC[NH2+]CC3)n2)n1 ZINC001157927927 779917287 /nfs/dbraw/zinc/91/72/87/779917287.db2.gz HXRMKWCPMPZERI-UHFFFAOYSA-N 2 1 260.305 -1.074 20 0 CAADMP C[C@]1(CO)CCN(C(=O)C[NH2+]C2CC[NH2+]CC2)C[C@H]1O ZINC001157943941 779919774 /nfs/dbraw/zinc/91/97/74/779919774.db2.gz HIYSKXCAEHYNQV-TZMCWYRMSA-N 2 1 285.388 -1.080 20 0 CAADMP [NH3+]CC[C@H]([NH3+])C(=O)N1CCN(C(=O)C(F)(F)F)CC1 ZINC001157970385 779922342 /nfs/dbraw/zinc/92/23/42/779922342.db2.gz RCJLZOVMEGIAGB-ZETCQYMHSA-N 2 1 282.266 -1.104 20 0 CAADMP O=C([C@@H]1COC[NH2+]1)N1CCOC2(CC[NH2+]CC2)C1 ZINC001158070880 779924628 /nfs/dbraw/zinc/92/46/28/779924628.db2.gz QGWVRIXRKMOMDJ-JTQLQIEISA-N 2 1 255.318 -1.087 20 0 CAADMP O=C([C@@H]1COCC[NH2+]1)N1CCOC2(CC[NH2+]CC2)C1 ZINC001158076629 779926324 /nfs/dbraw/zinc/92/63/24/779926324.db2.gz MKCRCKKNJXGSJR-NSHDSACASA-N 2 1 269.345 -1.044 20 0 CAADMP COC(=O)C[C@@H]1CN(C(=O)[C@@H]([NH3+])CC[NH3+])CCO1 ZINC001160595543 779966850 /nfs/dbraw/zinc/96/68/50/779966850.db2.gz FBSANTVTPPZURF-BDAKNGLRSA-N 2 1 259.306 -1.547 20 0 CAADMP N[C@H]1C[NH2+][C@H](C(=O)N2CC3(C[NH2+]C3)[C@@]3(CCNC3=O)C2)C1 ZINC001158119861 779928581 /nfs/dbraw/zinc/92/85/81/779928581.db2.gz IBVJPODOQOAHMR-BFVZDQMLSA-N 2 1 293.371 -2.386 20 0 CAADMP O=C([C@@H]1COCC[NH2+]1)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1 ZINC001158121596 779928599 /nfs/dbraw/zinc/92/85/99/779928599.db2.gz UYZMKZVBLHYYCR-IINYFYTJSA-N 2 1 294.355 -2.087 20 0 CAADMP N[C@H]1C[NH2+][C@H](C(=O)N2CCO[C@@H]3C[NH2+]C[C@@H]3C2)C1 ZINC001158179735 779930501 /nfs/dbraw/zinc/93/05/01/779930501.db2.gz MYXVPTWXNGTBCW-CHWFTXMASA-N 2 1 254.334 -1.878 20 0 CAADMP N[C@H](CN1CCC([NH3+])CC1)C(=O)N1CC2CC1(C[NH3+])C2 ZINC001158191492 779930617 /nfs/dbraw/zinc/93/06/17/779930617.db2.gz SEKIRZGSRIXIMR-KSGYAGIASA-N 2 1 281.404 -1.314 20 0 CAADMP O=C(c1nnn2c1C[NH2+]CC2)N1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001158230884 779931705 /nfs/dbraw/zinc/93/17/05/779931705.db2.gz FSEGAPPUHBIEQL-DTWKUNHWSA-N 2 1 262.317 -1.042 20 0 CAADMP [NH3+]CC[C@H]([NH3+])C(=O)N1Cc2ncnn2C2(CC[NH2+]CC2)C1 ZINC001158277117 779932912 /nfs/dbraw/zinc/93/29/12/779932912.db2.gz JDSBTADPGYTNRU-JTQLQIEISA-N 3 1 293.375 -1.625 20 0 CAADMP C[C@@H]1[C@H](C(=O)NCCC[NH2+]CC(=O)NC(N)=O)CC[N@H+]1C ZINC001158380647 779933868 /nfs/dbraw/zinc/93/38/68/779933868.db2.gz SLNDYGWOTOGMRW-NXEZZACHSA-N 2 1 299.375 -1.383 20 0 CAADMP [NH3+]CCCNCC(=O)N1CC[C@@]23C[NH2+]C[C@@H](C[C@H]2C1)O3 ZINC001158546251 779936580 /nfs/dbraw/zinc/93/65/80/779936580.db2.gz IPPYYUSVOLMOLS-OUCADQQQSA-N 2 1 282.388 -1.096 20 0 CAADMP O=C([C@@H]1COCC[NH2+]1)N1CC[C@@]23C[NH2+]C[C@@H](C[C@@H]2C1)O3 ZINC001158547444 779936630 /nfs/dbraw/zinc/93/66/30/779936630.db2.gz PAFXOKXOURRYOC-NRWUCQMLSA-N 2 1 281.356 -1.046 20 0 CAADMP CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)CNCCC[NH3+] ZINC001158497556 779936771 /nfs/dbraw/zinc/93/67/71/779936771.db2.gz BWZVHIVIKWBQKD-SDDRHHMPSA-N 2 1 298.387 -1.323 20 0 CAADMP [NH3+]CC[C@H]([NH3+])C(=O)N1CC[C@@]23C[NH2+]C[C@@H](C[C@H]2C1)O3 ZINC001158533232 779936919 /nfs/dbraw/zinc/93/69/19/779936919.db2.gz IVJUWJKPVDOSBZ-SRRSOLGSSA-N 3 1 268.361 -1.358 20 0 CAADMP CNC(=O)C[NH2+]CCCNC(=O)[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001158485945 779937014 /nfs/dbraw/zinc/93/70/14/779937014.db2.gz BYPDSNIFEDXWER-RYUDHWBXSA-N 2 1 298.387 -1.309 20 0 CAADMP CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)[C@@H]1COC[NH2+]1 ZINC001158496118 779937070 /nfs/dbraw/zinc/93/70/70/779937070.db2.gz JHPWXIVWTKSLQJ-XWLWVQCSSA-N 2 1 283.328 -1.316 20 0 CAADMP COCC[NH+]1CCN(C(=O)[C@H]2C[NH2+]C[C@H]2O)CC1 ZINC001158604936 779937650 /nfs/dbraw/zinc/93/76/50/779937650.db2.gz UBGBTHKLELLATA-WDEREUQCSA-N 2 1 257.334 -1.643 20 0 CAADMP COCC[NH+]1CCN(C(=O)[C@H]2C[NH2+]C[C@@H]2O)CC1 ZINC001158604935 779937921 /nfs/dbraw/zinc/93/79/21/779937921.db2.gz UBGBTHKLELLATA-QWRGUYRKSA-N 2 1 257.334 -1.643 20 0 CAADMP COCC[NH+]1CCN(C(=O)[C@@H]2C[NH2+]C[C@H]2O)CC1 ZINC001158604933 779938154 /nfs/dbraw/zinc/93/81/54/779938154.db2.gz UBGBTHKLELLATA-GHMZBOCLSA-N 2 1 257.334 -1.643 20 0 CAADMP CN(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCN2C(=O)[C@@H](N)C[NH3+] ZINC001159930724 779952763 /nfs/dbraw/zinc/95/27/63/779952763.db2.gz WJGCDWQTIIGWQX-SDDRHHMPSA-N 2 1 269.393 -1.491 20 0 CAADMP CN(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCN2C(=O)[C@@H](N)C[NH3+] ZINC001159930724 779952767 /nfs/dbraw/zinc/95/27/67/779952767.db2.gz WJGCDWQTIIGWQX-SDDRHHMPSA-N 2 1 269.393 -1.491 20 0 CAADMP CN(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCN2C(=O)[C@H]1C[NH2+]C[C@@H]1O ZINC001159930796 779952982 /nfs/dbraw/zinc/95/29/82/779952982.db2.gz XRKACXXDYSGSNY-FQUUOJAGSA-N 2 1 296.415 -1.197 20 0 CAADMP CN(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCN2C(=O)[C@H]1C[NH2+]C[C@@H]1O ZINC001159930796 779952988 /nfs/dbraw/zinc/95/29/88/779952988.db2.gz XRKACXXDYSGSNY-FQUUOJAGSA-N 2 1 296.415 -1.197 20 0 CAADMP CC(=O)NCc1nnc2n1CCN(C(=O)[C@@H]([NH3+])CC[NH3+])C2 ZINC001159930657 779953262 /nfs/dbraw/zinc/95/32/62/779953262.db2.gz UWLWUOMCNSHSNH-VIFPVBQESA-N 2 1 295.347 -2.068 20 0 CAADMP CC(=O)N1CCC[C@]2(C1)CN(C(=O)[C@@H]([NH3+])CC[NH3+])CCO2 ZINC001160177970 779956240 /nfs/dbraw/zinc/95/62/40/779956240.db2.gz DCDKFILIOFWQHG-JSGCOSHPSA-N 2 1 298.387 -1.098 20 0 CAADMP N[C@@]1(C(=O)N2C[C@@H]3C[N@H+](CC4CC4)C[C@H](C2)O3)CC[NH2+]C1 ZINC001160155211 779956465 /nfs/dbraw/zinc/95/64/65/779956465.db2.gz GPPMEDMUXFFJNF-GUTXKFCHSA-N 2 1 294.399 -1.001 20 0 CAADMP CC(C)NC(=O)CN1CCN(C(=O)[C@@H]([NH3+])CC[NH3+])CC1 ZINC001160485097 779963099 /nfs/dbraw/zinc/96/30/99/779963099.db2.gz QQXNZILCCBEJPC-NSHDSACASA-N 2 1 285.392 -1.669 20 0 CAADMP CN(C)C(=O)CN(C)C(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001160503704 779964232 /nfs/dbraw/zinc/96/42/32/779964232.db2.gz CIGPIFBTCZMAHN-NSHDSACASA-N 2 1 285.392 -1.717 20 0 CAADMP [NH3+]C1CCN(C(=O)c2nnn3c2C[NH2+]CC3)CC1 ZINC001160522228 779965672 /nfs/dbraw/zinc/96/56/72/779965672.db2.gz BRTODRCCHMQBSX-UHFFFAOYSA-N 2 1 250.306 -1.055 20 0 CAADMP [NH3+]CC[C@H]([NH3+])C(=O)N1CCN(c2cccnn2)CC1 ZINC001160570983 779967414 /nfs/dbraw/zinc/96/74/14/779967414.db2.gz QNZIONWKOIAIEG-JTQLQIEISA-N 2 1 264.333 -1.199 20 0 CAADMP O=C(C[NH2+]C1CC[NH2+]CC1)N1CC(N2CCNC(=O)C2)C1 ZINC001160638180 779970791 /nfs/dbraw/zinc/97/07/91/779970791.db2.gz XXNSZBXFTODLAH-UHFFFAOYSA-N 2 1 295.387 -2.029 20 0 CAADMP CN1CCN(C2CN(C(=O)[C@@H]([NH3+])CC[NH3+])C2)CC1=O ZINC001160637993 779970817 /nfs/dbraw/zinc/97/08/17/779970817.db2.gz XGLAIIWMGCFYDC-JTQLQIEISA-N 2 1 269.349 -2.353 20 0 CAADMP C[NH+](C)C1(C)CN(C(=O)[C@@H](N)CN2CCC([NH3+])CC2)C1 ZINC001160644528 779972497 /nfs/dbraw/zinc/97/24/97/779972497.db2.gz FSLJKJINVLENFH-LBPRGKRZSA-N 2 1 283.420 -1.101 20 0 CAADMP COC(=O)[C@@H]([NH3+])CCC(=O)N1CC[C@@H]([NH3+])[C@H](O)C1 ZINC001160652359 779973711 /nfs/dbraw/zinc/97/37/11/779973711.db2.gz BOWARILBUCJOBE-HRDYMLBCSA-N 2 1 259.306 -1.813 20 0 CAADMP N[C@@H](CN1CCC([NH3+])CC1)C(=O)N1CC[C@@H]([NH3+])[C@@H](F)C1 ZINC001160650209 779973945 /nfs/dbraw/zinc/97/39/45/779973945.db2.gz SXENOBQJNVBZAS-TUAOUCFPSA-N 2 1 287.383 -1.366 20 0 CAADMP N[C@@H](CN1CCC([NH3+])CC1)C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC001160646436 779973951 /nfs/dbraw/zinc/97/39/51/779973951.db2.gz ZAEOWXZCOKENMM-RYUDHWBXSA-N 2 1 285.392 -2.077 20 0 CAADMP [NH3+][C@@H]1CCN(C(=O)C[NH2+]C2CC[NH2+]CC2)C[C@H]1O ZINC001160652779 779974202 /nfs/dbraw/zinc/97/42/02/779974202.db2.gz LLRKAQIWBVYGFG-GHMZBOCLSA-N 3 1 256.350 -1.752 20 0 CAADMP [NH3+][C@H](Cc1c[nH]cn1)C(=O)N1CC[C@@H]([NH3+])[C@H](O)C1 ZINC001160652407 779974320 /nfs/dbraw/zinc/97/43/20/779974320.db2.gz DGMFYSLTSMUBHF-OPRDCNLKSA-N 2 1 253.306 -1.800 20 0 CAADMP N[C@@H](CN1CCC([NH3+])CC1)C(=O)N1CC[C@@H]([NH3+])[C@H](O)C1 ZINC001160656532 779974947 /nfs/dbraw/zinc/97/49/47/779974947.db2.gz YMXYWFCQAQFDSQ-GRYCIOLGSA-N 2 1 285.392 -2.343 20 0 CAADMP C[N@@H+]1C[C@H]2CN(C(=O)[C@H]3C[NH2+]CC34C[NH2+]C4)C[C@H]2C1 ZINC001160705630 779978041 /nfs/dbraw/zinc/97/80/41/779978041.db2.gz YAZAHESRHYGGPV-GRYCIOLGSA-N 3 1 264.373 -1.185 20 0 CAADMP NC(=O)[C@H]1CN(C(=O)C[NH2+]C2CC[NH2+]CC2)CCO1 ZINC001160705619 779978558 /nfs/dbraw/zinc/97/85/58/779978558.db2.gz XVILGDSYKDAFHI-SNVBAGLBSA-N 2 1 270.333 -1.959 20 0 CAADMP CCNC(=O)CO[C@H]1CCCN(C(=O)[C@@H]([NH3+])CC[NH3+])C1 ZINC001160746211 779979506 /nfs/dbraw/zinc/97/95/06/779979506.db2.gz CYONZWOEJRZIJU-QWRGUYRKSA-N 2 1 286.376 -1.194 20 0 CAADMP O=C(C[NH2+]C1CC[NH2+]CC1)N1CCN2C(=O)COC[C@@H]2C1 ZINC001160789820 779981322 /nfs/dbraw/zinc/98/13/22/779981322.db2.gz GZBQUAHTMFLJGM-LBPRGKRZSA-N 2 1 296.371 -1.602 20 0 CAADMP [NH3+]CC[C@H]([NH3+])C(=O)N1CCN2C(=O)COC[C@H]2C1 ZINC001160790454 779982976 /nfs/dbraw/zinc/98/29/76/779982976.db2.gz PLXHNUDJUXDNGM-BDAKNGLRSA-N 2 1 256.306 -2.268 20 0 CAADMP C[NH+](C)C[C@@H]1COCCN1C(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H](N)C2 ZINC001160839228 779983745 /nfs/dbraw/zinc/98/37/45/779983745.db2.gz RMMIAAWRWLFCLI-BYNQJWBRSA-N 2 1 282.388 -1.003 20 0 CAADMP C[C@@H]([NH2+]CCCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)C(N)=O ZINC001160851422 779983821 /nfs/dbraw/zinc/98/38/21/779983821.db2.gz YXAHAVPRGOKECE-GMTAPVOTSA-N 2 1 286.376 -1.325 20 0 CAADMP C[C@@H]([NH2+]CCCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)C(N)=O ZINC001160851422 779983829 /nfs/dbraw/zinc/98/38/29/779983829.db2.gz YXAHAVPRGOKECE-GMTAPVOTSA-N 2 1 286.376 -1.325 20 0 CAADMP CNC(=O)C[NH2+]CCCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001160851085 779983920 /nfs/dbraw/zinc/98/39/20/779983920.db2.gz PTNSAZWWWGFSNR-GHMZBOCLSA-N 2 1 286.376 -1.453 20 0 CAADMP CNC(=O)C[NH2+]CCCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001160851085 779983925 /nfs/dbraw/zinc/98/39/25/779983925.db2.gz PTNSAZWWWGFSNR-GHMZBOCLSA-N 2 1 286.376 -1.453 20 0 CAADMP C[NH+](C)C[C@@H]1COCCN1C(=O)[C@@H]1C[C@@H](N)C[NH2+]1 ZINC001160839049 779984134 /nfs/dbraw/zinc/98/41/34/779984134.db2.gz MTXVBELOTPAEJP-MXWKQRLJSA-N 2 1 256.350 -1.535 20 0 CAADMP C[NH+](C)C[C@H]1COCCN1C(=O)[C@@H]1C[C@@H](N)C[NH2+]1 ZINC001160839063 779984213 /nfs/dbraw/zinc/98/42/13/779984213.db2.gz MTXVBELOTPAEJP-VWYCJHECSA-N 2 1 256.350 -1.535 20 0 CAADMP COC(=O)c1cn2c(n1)CN(C(=O)[C@@H]([NH3+])CC[NH3+])CC2 ZINC001160902783 779986456 /nfs/dbraw/zinc/98/64/56/779986456.db2.gz YCVWJCWTONUJCE-QMMMGPOBSA-N 2 1 281.316 -1.312 20 0 CAADMP CCOC(=O)[C@H]1[C@@H]2CN(C(=O)[C@@H]([NH3+])CC[NH3+])C[C@@H]21 ZINC001160883782 779986499 /nfs/dbraw/zinc/98/64/99/779986499.db2.gz MVGLBZWUPUFOEU-QCLAVDOMSA-N 2 1 255.318 -1.070 20 0 CAADMP N[C@@H](CSCC[NH3+])C(=O)N(c1ncccn1)C1C[NH2+]C1 ZINC001160915678 779986828 /nfs/dbraw/zinc/98/68/28/779986828.db2.gz JDCIXXCVLSKVBV-JTQLQIEISA-N 2 1 296.400 -1.199 20 0 CAADMP C[C@H]1CN(C)C(=O)CN1C(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001160941963 779988057 /nfs/dbraw/zinc/98/80/57/779988057.db2.gz QMOBSNUHRQAZEL-JQWIXIFHSA-N 2 1 297.403 -1.574 20 0 CAADMP [NH3+]CCCNCC(=O)N1CC(O)([C@@H]2CCCC[NH2+]2)C1 ZINC001161009797 779988974 /nfs/dbraw/zinc/98/89/74/779988974.db2.gz YJMAPDKFAYNWFF-NSHDSACASA-N 2 1 270.377 -1.360 20 0 CAADMP O=C([C@@H]1COC[NH2+]1)N1CC(O)([C@@H]2CCCC[NH2+]2)C1 ZINC001160999818 779989154 /nfs/dbraw/zinc/98/91/54/779989154.db2.gz LKJIAALQXSOKMI-UWVGGRQHSA-N 2 1 255.318 -1.352 20 0 CAADMP [NH3+]CCCNCC(=O)N1CC(O)([C@H]2CCCC[NH2+]2)C1 ZINC001161009794 779989577 /nfs/dbraw/zinc/98/95/77/779989577.db2.gz YJMAPDKFAYNWFF-LLVKDONJSA-N 2 1 270.377 -1.360 20 0 CAADMP C[C@@H]1CN(C(=O)[C@@H](N)CN2CCC([NH3+])CC2)CC[NH2+]1 ZINC001161020050 779990431 /nfs/dbraw/zinc/99/04/31/779990431.db2.gz LTIXJNMRWPLDPK-PWSUYJOCSA-N 2 1 269.393 -1.443 20 0 CAADMP NC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001161035770 779990577 /nfs/dbraw/zinc/99/05/77/779990577.db2.gz ZVDGUIGWNGYEMX-QWRGUYRKSA-N 2 1 283.376 -1.787 20 0 CAADMP C[N@H+]1CCC[C@@H]2CN(C(=O)[C@H]3COC4(C[NH2+]C4)CN3)C[C@@H]21 ZINC001161082878 779992992 /nfs/dbraw/zinc/99/29/92/779992992.db2.gz PZAWAHNVAVTDIN-UPJWGTAASA-N 2 1 294.399 -1.131 20 0 CAADMP [NH3+]CC[C@H]([NH3+])C(=O)N1CCN(c2ncc(O)cn2)CC1 ZINC001161082046 779993183 /nfs/dbraw/zinc/99/31/83/779993183.db2.gz KHUCMWZJGLQPAC-JTQLQIEISA-N 2 1 280.332 -1.493 20 0 CAADMP COc1cc(N2CCN(C(=O)[C@@H]([NH3+])CC[NH3+])CC2)ncn1 ZINC001161093444 779995409 /nfs/dbraw/zinc/99/54/09/779995409.db2.gz OHBJURWQGXFDKO-JTQLQIEISA-N 2 1 294.359 -1.190 20 0 CAADMP CCOC(=O)CN(CCC[NH3+])C(=O)[C@@H]1COC[NH2+]1 ZINC001161154362 779999283 /nfs/dbraw/zinc/99/92/83/779999283.db2.gz YQEOYVADBOPREH-VIFPVBQESA-N 2 1 259.306 -1.327 20 0 CAADMP CCOC(=O)CN(CCC[NH3+])C(=O)[C@@H]1C[C@@H](N)C[NH2+]1 ZINC001161158661 780000307 /nfs/dbraw/zinc/00/03/07/780000307.db2.gz ZKJKPLOTMVWRBI-ZJUUUORDSA-N 2 1 272.349 -1.584 20 0 CAADMP [NH3+]CC[C@H]([NH3+])C(=O)N1Cc2ccnn2CC[C@@H]1CO ZINC001161171489 780000376 /nfs/dbraw/zinc/00/03/76/780000376.db2.gz LSWNANIALKKOQD-MNOVXSKESA-N 2 1 267.333 -1.348 20 0 CAADMP CC(C)(O)CC[NH+]1CCN(C(=O)[C@@]2(N)CC[NH2+]C2)CC1 ZINC001161175696 780001315 /nfs/dbraw/zinc/00/13/15/780001315.db2.gz NUSMCCIDOUKATH-CQSZACIVSA-N 2 1 284.404 -1.018 20 0 CAADMP CN(C(=O)[C@H](N)CN1CCC([NH3+])CC1)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001161220698 780001723 /nfs/dbraw/zinc/00/17/23/780001723.db2.gz GHHDTCLDRUZSRL-XQHKEYJVSA-N 2 1 281.404 -1.587 20 0 CAADMP CN(C(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H](N)C2)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001161219092 780002248 /nfs/dbraw/zinc/00/22/48/780002248.db2.gz MUZWCQXMQDIIIU-KXTOZSSYSA-N 2 1 250.346 -1.116 20 0 CAADMP CNC(=O)NC1CCN(C(=O)[C@@H]([NH3+])CC[NH3+])CC1 ZINC001161268339 780005106 /nfs/dbraw/zinc/00/51/06/780005106.db2.gz FBGCSGVNUSTIHC-VIFPVBQESA-N 2 1 257.338 -1.418 20 0 CAADMP CCS(=O)(=O)NC1CCN(C(=O)[C@@H]([NH3+])CC[NH3+])CC1 ZINC001161260082 780006109 /nfs/dbraw/zinc/00/61/09/780006109.db2.gz IUXSGASNUPZVLG-JTQLQIEISA-N 2 1 292.405 -1.407 20 0 CAADMP COC(=O)[C@H]1CN(C(=O)[C@@H]([NH3+])CC[NH3+])CCN1C(C)=O ZINC001161297592 780006661 /nfs/dbraw/zinc/00/66/61/780006661.db2.gz XRPYVETVZQWJSO-VHSXEESVSA-N 2 1 286.332 -2.105 20 0 CAADMP COC(=O)[C@@H]1CN(C(=O)[C@@H]([NH3+])CC[NH3+])CCN1C(C)=O ZINC001161297587 780007061 /nfs/dbraw/zinc/00/70/61/780007061.db2.gz XRPYVETVZQWJSO-UWVGGRQHSA-N 2 1 286.332 -2.105 20 0 CAADMP [NH3+]C1CC[NH+]([C@H]2CCN(C(=O)[C@@H]3C[NH2+]CCN3)C2)CC1 ZINC001161378274 780009586 /nfs/dbraw/zinc/00/95/86/780009586.db2.gz LMSWUYHQBNCMAH-STQMWFEESA-N 3 1 281.404 -1.428 20 0 CAADMP [NH3+]C1CC[NH+]([C@@H]2CCN(C(=O)[C@H]3C[NH2+]C[C@H]3O)C2)CC1 ZINC001161381781 780009707 /nfs/dbraw/zinc/00/97/07/780009707.db2.gz ZKZUYPXVHTVFKL-FRRDWIJNSA-N 3 1 282.388 -1.409 20 0 CAADMP [NH3+]C[C@H](O)CC(=O)N1CC[C@@H]([NH+]2CCC([NH3+])CC2)C1 ZINC001161381274 780009851 /nfs/dbraw/zinc/00/98/51/780009851.db2.gz WZVIPNYGLRJCFA-VXGBXAGGSA-N 3 1 270.377 -1.280 20 0 CAADMP [NH3+]C1CC[NH+]([C@H]2CCN(C(=O)CN3CC[NH2+]CC3)C2)CC1 ZINC001161377975 780010036 /nfs/dbraw/zinc/01/00/36/780010036.db2.gz JXEOOQHMRDUPQS-AWEZNQCLSA-N 3 1 295.431 -1.084 20 0 CAADMP [NH3+]C1CC[NH+]([C@@H]2CCN(C(=O)[C@H]3C[NH2+]CCN3)C2)CC1 ZINC001161378271 780010952 /nfs/dbraw/zinc/01/09/52/780010952.db2.gz LMSWUYHQBNCMAH-CHWSQXEVSA-N 3 1 281.404 -1.428 20 0 CAADMP N[C@@]1(C(=O)N2CC[C@@H]([NH+]3CCC([NH3+])CC3)C2)CC[NH2+]C1 ZINC001161380856 780010986 /nfs/dbraw/zinc/01/09/86/780010986.db2.gz WECMPQYPNBLDRV-OCCSQVGLSA-N 3 1 281.404 -1.299 20 0 CAADMP [NH3+]C1CC[NH+]([C@@H]2CCN(C(=O)[C@@H]3C[NH2+]C[C@@H]3O)C2)CC1 ZINC001161381783 780011001 /nfs/dbraw/zinc/01/10/01/780011001.db2.gz ZKZUYPXVHTVFKL-UPJWGTAASA-N 3 1 282.388 -1.409 20 0 CAADMP O=C([C@@H]1C[NH2+]CC12C[NH2+]C2)N1CC[N@H+]2CC[C@H]2C1 ZINC001161420616 780011892 /nfs/dbraw/zinc/01/18/92/780011892.db2.gz IVKQRTHITLGOSW-QWRGUYRKSA-N 3 1 250.346 -1.288 20 0 CAADMP O=C([C@@H]1C[NH2+]CC12C[NH2+]C2)N1CCN2CC[C@H]2C1 ZINC001161420616 780011897 /nfs/dbraw/zinc/01/18/97/780011897.db2.gz IVKQRTHITLGOSW-QWRGUYRKSA-N 2 1 250.346 -1.288 20 0 CAADMP O=C([C@@H]1COC2(C[NH2+]C2)CN1)N1CC[N@H+]2CC[C@@H]2C1 ZINC001161422110 780011955 /nfs/dbraw/zinc/01/19/55/780011955.db2.gz ZYSBFHDDBCFGDL-MNOVXSKESA-N 2 1 266.345 -1.767 20 0 CAADMP O=C(N1CC[N@H+]2CC[C@@H]2C1)[C@]12C[NH2+]C[C@@H]1CCN2 ZINC001161420327 780012161 /nfs/dbraw/zinc/01/21/61/780012161.db2.gz GUJLAQNRSVEGEX-LOWVWBTDSA-N 2 1 250.346 -1.146 20 0 CAADMP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N1CC[N@H+]2CC[C@H]2C1 ZINC001161423548 780012190 /nfs/dbraw/zinc/01/21/90/780012190.db2.gz FJDJOFOAAPBTGM-GUBZILKMSA-N 2 1 297.359 -2.390 20 0 CAADMP O=C([C@H]1C[NH2+]CC12C[NH2+]C2)N1CC[N@H+]2CC[C@@H]2C1 ZINC001161420614 780012274 /nfs/dbraw/zinc/01/22/74/780012274.db2.gz IVKQRTHITLGOSW-GHMZBOCLSA-N 3 1 250.346 -1.288 20 0 CAADMP O=C([C@H]1C[NH2+]CC12C[NH2+]C2)N1CCN2CC[C@@H]2C1 ZINC001161420614 780012282 /nfs/dbraw/zinc/01/22/82/780012282.db2.gz IVKQRTHITLGOSW-GHMZBOCLSA-N 2 1 250.346 -1.288 20 0 CAADMP O=C(N1CC[N@H+]2CC[C@@H]2C1)[C@]12C[NH2+]C[C@H]1CCN2 ZINC001161420329 780012316 /nfs/dbraw/zinc/01/23/16/780012316.db2.gz GUJLAQNRSVEGEX-WZRBSPASSA-N 2 1 250.346 -1.146 20 0 CAADMP O=C([C@@H]1C[NH2+]CC12C[NH2+]C2)N1CC[N@H+]2CC[C@@H]2C1 ZINC001161420615 780012550 /nfs/dbraw/zinc/01/25/50/780012550.db2.gz IVKQRTHITLGOSW-MNOVXSKESA-N 3 1 250.346 -1.288 20 0 CAADMP O=C([C@@H]1C[NH2+]CC12C[NH2+]C2)N1CCN2CC[C@@H]2C1 ZINC001161420615 780012557 /nfs/dbraw/zinc/01/25/57/780012557.db2.gz IVKQRTHITLGOSW-MNOVXSKESA-N 2 1 250.346 -1.288 20 0 CAADMP N[C@@H](CN1CCC([NH3+])CC1)C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC001161413004 780012752 /nfs/dbraw/zinc/01/27/52/780012752.db2.gz NJKAYYCMQNOXOJ-DEQVHRJGSA-N 2 1 295.431 -1.068 20 0 CAADMP O=C(N1CC[N@H+]2CC[C@@H]2C1)[C@@]12C[NH2+]C[C@@H]1CCN2 ZINC001161420326 780012831 /nfs/dbraw/zinc/01/28/31/780012831.db2.gz GUJLAQNRSVEGEX-DMDPSCGWSA-N 2 1 250.346 -1.146 20 0 CAADMP N[C@@H](CN1CCC([NH3+])CC1)C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC001161413005 780012861 /nfs/dbraw/zinc/01/28/61/780012861.db2.gz NJKAYYCMQNOXOJ-GHYVTOPFSA-N 2 1 295.431 -1.068 20 0 CAADMP C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N1CC[N@H+]2CC[C@@H]2C1 ZINC001161423791 780013958 /nfs/dbraw/zinc/01/39/58/780013958.db2.gz OBNDMFPYIRVAPK-AEJSXWLSSA-N 2 1 270.333 -2.273 20 0 CAADMP C[NH+](C)CCN(C(=O)[C@@H]([NH3+])CC[NH3+])[C@@H]1CCC[NH2+]C1 ZINC001161447677 780014314 /nfs/dbraw/zinc/01/43/14/780014314.db2.gz YKPPCXBJMGQHGH-NEPJUHHUSA-N 4 1 271.409 -1.195 20 0 CAADMP COC(=O)[C@]12CC[NH2+][C@@H]1CN(C(=O)[C@@H]1COCC[NH2+]1)CC2 ZINC001161476907 780015670 /nfs/dbraw/zinc/01/56/70/780015670.db2.gz CNEQROHYOGUKEL-WDMOLILDSA-N 2 1 297.355 -1.272 20 0 CAADMP COC(=O)[C@@]12CC[NH2+][C@@H]1CN(C(=O)[C@@H]1COCC[NH2+]1)CC2 ZINC001161476905 780015794 /nfs/dbraw/zinc/01/57/94/780015794.db2.gz CNEQROHYOGUKEL-MISXGVKJSA-N 2 1 297.355 -1.272 20 0 CAADMP COC(=O)[C@]12CC[NH2+][C@@H]1CN(C(=O)[C@@H]([NH3+])CC[NH3+])CC2 ZINC001161477074 780016005 /nfs/dbraw/zinc/01/60/05/780016005.db2.gz HKBZZGLMZZHLKG-CWSCBRNRSA-N 3 1 284.360 -1.584 20 0 CAADMP COC(=O)[C@]12CC[NH2+][C@@H]1CN(C(=O)[C@@H]1C[C@H](N)C[NH2+]1)CC2 ZINC001161476453 780016053 /nfs/dbraw/zinc/01/60/53/780016053.db2.gz AXJFYPHJGCYICU-DYNIEEOBSA-N 2 1 296.371 -1.571 20 0 CAADMP C[N@@H+](C1CN(C(=O)[C@H]2C[NH2+]C[C@@H]2N)C1)[C@H]1CCOC1 ZINC001161497783 780017086 /nfs/dbraw/zinc/01/70/86/780017086.db2.gz DYYCTCXHRIPVJO-DLOVCJGASA-N 2 1 268.361 -1.535 20 0 CAADMP C[N@@H+](C1CN(C(=O)[C@]23C[NH2+]C[C@@H]2CCN3)C1)[C@H]1CCOC1 ZINC001161498545 780017399 /nfs/dbraw/zinc/01/73/99/780017399.db2.gz JVOGMKVOZXEHLQ-HUBLWGQQSA-N 2 1 294.399 -1.131 20 0 CAADMP C[N@@H+](C1CN(C(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)C1)[C@H]1CCOC1 ZINC001161498718 780018451 /nfs/dbraw/zinc/01/84/51/780018451.db2.gz LJLFHCOTVMKMLK-AAEUAGOBSA-N 3 1 294.399 -1.273 20 0 CAADMP CN(C1CN(C(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)C1)[C@H]1CCOC1 ZINC001161498718 780018462 /nfs/dbraw/zinc/01/84/62/780018462.db2.gz LJLFHCOTVMKMLK-AAEUAGOBSA-N 2 1 294.399 -1.273 20 0 CAADMP N[C@@H](CN1CCC([NH3+])CC1)C(=O)N1C[C@@H]([NH3+])C2(COC2)C1 ZINC001161508939 780018902 /nfs/dbraw/zinc/01/89/02/780018902.db2.gz HBUXTBGRKBDDME-NWDGAFQWSA-N 2 1 297.403 -2.077 20 0 CAADMP C[N@@H+](C1CN(C(=O)[C@@]2(N)CC[NH2+]C2)C1)[C@H]1CCOC1 ZINC001161498692 780019038 /nfs/dbraw/zinc/01/90/38/780019038.db2.gz LDQKZXDFIMUBBU-GXFFZTMASA-N 2 1 268.361 -1.391 20 0 CAADMP C[N@@H+](C1CN(C(=O)[C@H]2[NH2+]CC[C@@H]2O)C1)[C@H]1CCOC1 ZINC001161498863 780019817 /nfs/dbraw/zinc/01/98/17/780019817.db2.gz HXZDLQVTMYUBBT-DLOVCJGASA-N 2 1 269.345 -1.359 20 0 CAADMP C[N@@H+](C1CN(C(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3N2)C1)[C@H]1CCOC1 ZINC001161499003 780020055 /nfs/dbraw/zinc/02/00/55/780020055.db2.gz LVCNRSGRJVQIQA-AUZPSNTRSA-N 2 1 294.399 -1.132 20 0 CAADMP C[N@@H+](C1CN(C(=O)CN2CC[NH2+]CC2)C1)[C@H]1CCOC1 ZINC001161498679 780020102 /nfs/dbraw/zinc/02/01/02/780020102.db2.gz LCIQWAWXMJQUPA-LBPRGKRZSA-N 2 1 282.388 -1.177 20 0 CAADMP O=C([C@H]1C[NH2+]CC12C[NH2+]C2)N1CCNC2(CC2)C1 ZINC001161545080 780021189 /nfs/dbraw/zinc/02/11/89/780021189.db2.gz LKBLWYMOXDBNDZ-SNVBAGLBSA-N 2 1 250.346 -1.240 20 0 CAADMP CN1CC2(C1)CN(C(=O)[C@@H]([NH3+])CSCC[NH3+])C2 ZINC001161531773 780022024 /nfs/dbraw/zinc/02/20/24/780022024.db2.gz JEHAMKQMDZKLNC-VIFPVBQESA-N 2 1 258.391 -1.220 20 0 CAADMP COC(=O)CC[C@@H]1COCCN1C(=O)[C@@H]([NH3+])CC[NH3+] ZINC001161567049 780022424 /nfs/dbraw/zinc/02/24/24/780022424.db2.gz VEAIETHAZAYQBK-ZJUUUORDSA-N 2 1 273.333 -1.157 20 0 CAADMP [NH3+]CC[C@H]([NH3+])C(=O)N1CC[C@@H](N2CCOCC2)[C@@H](F)C1 ZINC001161602179 780024406 /nfs/dbraw/zinc/02/44/06/780024406.db2.gz UAQWIBLMBQQJTJ-SDDRHHMPSA-N 2 1 288.367 -1.066 20 0 CAADMP [NH3+][C@@H]1NCN(c2ncnc3c2CC[NH2+]CC3)[C@@H]2NCN[C@@H]21 ZINC001162436652 780034983 /nfs/dbraw/zinc/03/49/83/780034983.db2.gz OMHHTCQIVDOOHW-WZRBSPASSA-N 2 1 290.375 -2.338 20 0 CAADMP [NH3+][C@@H]1NCN(c2ncnc3c2CC[NH2+]CC3)[C@H]2NCN[C@@H]21 ZINC001162436651 780036062 /nfs/dbraw/zinc/03/60/62/780036062.db2.gz OMHHTCQIVDOOHW-NQBHXWOUSA-N 2 1 290.375 -2.338 20 0 CAADMP [NH3+][C@@H]1NCN(c2ncnc3c2CC[NH2+]C3)[C@@H]2NCN[C@@H]21 ZINC001162437784 780037422 /nfs/dbraw/zinc/03/74/22/780037422.db2.gz VPDTYCHVGOJJSA-FOGDFJRCSA-N 2 1 276.348 -2.381 20 0 CAADMP [NH3+][C@@H]1NCN(c2ncc3c(n2)CC[NH2+]C3)[C@H]2NCN[C@H]21 ZINC001162437568 780038094 /nfs/dbraw/zinc/03/80/94/780038094.db2.gz VEJVESQUSFNLSD-HBNTYKKESA-N 2 1 276.348 -2.381 20 0 CAADMP [NH3+][C@@H]1NCN(c2ccc3c(n2)CC[NH2+]C3)[C@@H]2NCN[C@@H]21 ZINC001162438092 780039222 /nfs/dbraw/zinc/03/92/22/780039222.db2.gz WVAZBYNFTXCYCV-UPJWGTAASA-N 2 1 275.360 -1.776 20 0 CAADMP C[NH+](C)Cc1ccnc(N2CN[C@H]([NH3+])[C@@H]3NCN[C@H]32)c1 ZINC001162442520 780045992 /nfs/dbraw/zinc/04/59/92/780045992.db2.gz BWWKDIZDPGHWRX-AVGNSLFASA-N 2 1 277.376 -1.360 20 0 CAADMP C[NH+](C)Cc1ccnc(N2CN[C@H]([NH3+])[C@H]3NCN[C@@H]32)c1 ZINC001162442522 780046039 /nfs/dbraw/zinc/04/60/39/780046039.db2.gz BWWKDIZDPGHWRX-FRRDWIJNSA-N 2 1 277.376 -1.360 20 0 CAADMP C[NH+](C)Cc1ccnc(N2CN[C@H]([NH3+])[C@@H]3NCN[C@@H]32)c1 ZINC001162442524 780046073 /nfs/dbraw/zinc/04/60/73/780046073.db2.gz BWWKDIZDPGHWRX-RWMBFGLXSA-N 2 1 277.376 -1.360 20 0 CAADMP [NH3+][C@@H]1NCN(c2cc3c(nn2)CC[NH2+]C3)[C@H]2NCN[C@@H]21 ZINC001162443932 780047509 /nfs/dbraw/zinc/04/75/09/780047509.db2.gz AUQJIQMBTQNCEJ-IJLUTSLNSA-N 2 1 276.348 -2.381 20 0 CAADMP Cc1cnc(N2CN[C@H]([NH3+])[C@H]3NCN[C@H]32)c(C[NH3+])c1 ZINC001162445018 780047582 /nfs/dbraw/zinc/04/75/82/780047582.db2.gz DMDKCYHIUMRBRG-SCVCMEIPSA-N 2 1 263.349 -1.654 20 0 CAADMP [NH3+][C@@H]1NCN(c2cc3c(nn2)CC[NH2+]C3)[C@@H]2NCN[C@@H]21 ZINC001162443935 780047972 /nfs/dbraw/zinc/04/79/72/780047972.db2.gz AUQJIQMBTQNCEJ-UTUOFQBUSA-N 2 1 276.348 -2.381 20 0 CAADMP [NH3+][C@@H]1NCN(c2cc(C3C[NH2+]C3)ncn2)[C@H]2NCN[C@H]21 ZINC001162445013 780048351 /nfs/dbraw/zinc/04/83/51/780048351.db2.gz RTJLISUQHMZANY-QJPTWQEYSA-N 2 1 276.348 -2.340 20 0 CAADMP O=C(NCCC[NH2+]CCO)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001162872213 780053469 /nfs/dbraw/zinc/05/34/69/780053469.db2.gz KNPLAQUXLNVERH-LXVYMNJGSA-N 2 1 283.372 -1.062 20 0 CAADMP C[NH+]1CCN(c2nccnc2N(CC[NH3+])CCO)CC1 ZINC001163830086 780062158 /nfs/dbraw/zinc/06/21/58/780062158.db2.gz ROHIRSZCDSSROG-UHFFFAOYSA-N 2 1 280.376 -1.014 20 0 CAADMP C[NH+]1CCN(c2nccc(N3C[C@@H]([NH3+])[C@@H](O)C3)n2)CC1 ZINC001165147796 780076060 /nfs/dbraw/zinc/07/60/60/780076060.db2.gz JZMWTIVAPPOVLR-MNOVXSKESA-N 2 1 278.360 -1.263 20 0 CAADMP C[NH+]1CCN(c2nccc(N3C[C@H]([NH3+])[C@@H](O)C3)n2)CC1 ZINC001165147798 780076619 /nfs/dbraw/zinc/07/66/19/780076619.db2.gz JZMWTIVAPPOVLR-QWRGUYRKSA-N 2 1 278.360 -1.263 20 0 CAADMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCCC[NH2+]CC(N)=O ZINC001166707739 780092477 /nfs/dbraw/zinc/09/24/77/780092477.db2.gz ISGBPCDALUJREM-UWVGGRQHSA-N 2 1 256.350 -1.235 20 0 CAADMP C[C@H]1CCC[N@H+]1CC(=O)NCCC[NH2+]CC(=O)NC(N)=O ZINC001166627395 780092518 /nfs/dbraw/zinc/09/25/18/780092518.db2.gz UVAUEKCOYRXZDT-JTQLQIEISA-N 2 1 299.375 -1.239 20 0 CAADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCCC[NH2+]CC(N)=O ZINC001166707737 780092926 /nfs/dbraw/zinc/09/29/26/780092926.db2.gz ISGBPCDALUJREM-NXEZZACHSA-N 2 1 256.350 -1.235 20 0 CAADMP C[C@@H]1CCC[N@H+]1CC(=O)NCCC[NH2+]CC(=O)NC(N)=O ZINC001166627396 780092952 /nfs/dbraw/zinc/09/29/52/780092952.db2.gz UVAUEKCOYRXZDT-SNVBAGLBSA-N 2 1 299.375 -1.239 20 0 CAADMP NC(=O)[C@@H]1CN(c2ncnc3c2CC[NH2+]C3)CC[NH2+]1 ZINC001166724134 780094069 /nfs/dbraw/zinc/09/40/69/780094069.db2.gz RCLATCVFWQPQBK-JTQLQIEISA-N 2 1 262.317 -1.614 20 0 CAADMP NC(=O)[C@H]1CN(c2ccc(N3CC[NH2+]CC3)nn2)CC[NH2+]1 ZINC001166724637 780094613 /nfs/dbraw/zinc/09/46/13/780094613.db2.gz WAHLQHJFTKNABX-SNVBAGLBSA-N 2 1 291.359 -1.850 20 0 CAADMP NC(=O)[C@@H]1CN(c2ccc(N3CC[NH2+]CC3)nn2)CC[NH2+]1 ZINC001166724636 780094766 /nfs/dbraw/zinc/09/47/66/780094766.db2.gz WAHLQHJFTKNABX-JTQLQIEISA-N 2 1 291.359 -1.850 20 0 CAADMP NC(=O)[C@@H]1CN(c2ncnc3c2CC[NH2+]CC3)CC[NH2+]1 ZINC001166723739 780094883 /nfs/dbraw/zinc/09/48/83/780094883.db2.gz KCHQGWKDDIXDBI-NSHDSACASA-N 2 1 276.344 -1.572 20 0 CAADMP NC(=O)[C@@H]1CN(c2cncc(N3CC[NH2+]CC3)n2)CC[NH2+]1 ZINC001166724510 780095099 /nfs/dbraw/zinc/09/50/99/780095099.db2.gz CIVMSLVFPFAUII-JTQLQIEISA-N 2 1 291.359 -1.850 20 0 CAADMP C[N@@H+]1CCO[C@@H](C(=O)N2CCC(C[NH2+]CC(N)=O)CC2)C1 ZINC001204876514 780103788 /nfs/dbraw/zinc/10/37/88/780103788.db2.gz ZUCXYLJFUFQRAY-GFCCVEGCSA-N 2 1 298.387 -1.370 20 0 CAADMP C[N@H+]1CCO[C@@H](C(=O)N2CCC(C[NH2+]CC(N)=O)CC2)C1 ZINC001204876514 780103791 /nfs/dbraw/zinc/10/37/91/780103791.db2.gz ZUCXYLJFUFQRAY-GFCCVEGCSA-N 2 1 298.387 -1.370 20 0 CAADMP C[N@@H+]1CCO[C@H](C(=O)N2CCC(C[NH2+]CC(N)=O)CC2)C1 ZINC001204876515 780103925 /nfs/dbraw/zinc/10/39/25/780103925.db2.gz ZUCXYLJFUFQRAY-LBPRGKRZSA-N 2 1 298.387 -1.370 20 0 CAADMP C[N@H+]1CCO[C@H](C(=O)N2CCC(C[NH2+]CC(N)=O)CC2)C1 ZINC001204876515 780103928 /nfs/dbraw/zinc/10/39/28/780103928.db2.gz ZUCXYLJFUFQRAY-LBPRGKRZSA-N 2 1 298.387 -1.370 20 0 CAADMP Cn1cc(C[N@H+]2CCC[C@](O)(C[NH3+])CC2)c(=O)n(C)c1=O ZINC001205242573 780105226 /nfs/dbraw/zinc/10/52/26/780105226.db2.gz YEDBBIJEXUFJMC-CQSZACIVSA-N 2 1 296.371 -1.240 20 0 CAADMP Cn1cc(C[N@H+]2CCCC[C@](O)(C[NH3+])C2)c(=O)n(C)c1=O ZINC001205690228 780105690 /nfs/dbraw/zinc/10/56/90/780105690.db2.gz UZDDHRLFXSKUAJ-AWEZNQCLSA-N 2 1 296.371 -1.240 20 0 CAADMP Cn1cc(C[N@H+]2CCCC[C@@](O)(C[NH3+])C2)c(=O)n(C)c1=O ZINC001205690231 780106399 /nfs/dbraw/zinc/10/63/99/780106399.db2.gz UZDDHRLFXSKUAJ-CQSZACIVSA-N 2 1 296.371 -1.240 20 0 CAADMP [NH3+]C[C@H]1CN(Cc2cn3c(n2)C[NH2+]CC3)C[C@@H]1O ZINC001206518977 780110931 /nfs/dbraw/zinc/11/09/31/780110931.db2.gz GZWHQODUYPGZKK-ONGXEEELSA-N 2 1 251.334 -1.262 20 0 CAADMP Cc1[nH]c(=O)[nH]c(=O)c1C[N@H+]1C[C@H](O)[C@@H](C[NH3+])C1 ZINC001206519581 780110966 /nfs/dbraw/zinc/11/09/66/780110966.db2.gz NISJBXQCWIPBEO-CBAPKCEASA-N 2 1 254.290 -1.052 20 0 CAADMP CNC(=O)C[NH2+][C@H]1CCCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001207734834 780120580 /nfs/dbraw/zinc/12/05/80/780120580.db2.gz OYLCKLODJQWRPE-NWDGAFQWSA-N 2 1 298.387 -1.356 20 0 CAADMP CNC(=O)C[NH2+][C@H]1CCCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001207734834 780120584 /nfs/dbraw/zinc/12/05/84/780120584.db2.gz OYLCKLODJQWRPE-NWDGAFQWSA-N 2 1 298.387 -1.356 20 0 CAADMP C[C@@H]1C[N@H+](CC(=O)NC(N)=O)C[C@H]1NC(=O)CC[NH+](C)C ZINC001208492177 780128577 /nfs/dbraw/zinc/12/85/77/780128577.db2.gz GROZHVVDFOPZND-NXEZZACHSA-N 2 1 299.375 -1.431 20 0 CAADMP C[C@@H]1C[N@@H+](CC(=O)NC(N)=O)C[C@H]1NC(=O)CC[NH+](C)C ZINC001208492177 780128584 /nfs/dbraw/zinc/12/85/84/780128584.db2.gz GROZHVVDFOPZND-NXEZZACHSA-N 2 1 299.375 -1.431 20 0 CAADMP [NH3+]CCn1cc(C(=O)NCCC[NH+]2CCOCC2)nn1 ZINC000089698507 780129072 /nfs/dbraw/zinc/12/90/72/780129072.db2.gz TYALHQDGYLVHQX-UHFFFAOYSA-N 2 1 282.348 -1.311 20 0 CAADMP C[C@@H]1C[N@@H+](CCO)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001210297116 780139191 /nfs/dbraw/zinc/13/91/91/780139191.db2.gz AMTMTGIIKOYGCN-VXGBXAGGSA-N 2 1 273.377 -1.007 20 0 CAADMP CO[C@@H]1C[N@@H+](CCO)C[C@H]1NC(=O)CC[NH+](C)C ZINC001213378127 780145306 /nfs/dbraw/zinc/14/53/06/780145306.db2.gz DTUWSLAWBWRJNR-GHMZBOCLSA-N 2 1 259.350 -1.254 20 0 CAADMP [NH3+][C@@H](C(=O)N=c1ncnc2[nH][nH]cc1-2)C1CC[NH2+]CC1 ZINC001218518311 780166965 /nfs/dbraw/zinc/16/69/65/780166965.db2.gz OZJSNXCZAPIFMZ-SECBINFHSA-N 2 1 275.316 -1.008 20 0 CAADMP NC(=O)c1[nH]ncc1NC(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001218564916 780170757 /nfs/dbraw/zinc/17/07/57/780170757.db2.gz MYWWZCQVCFNJHC-LURJTMIESA-N 2 1 254.294 -1.097 20 0 CAADMP NC(=O)c1[nH]ncc1NC(=O)[C@@H]([NH3+])C1CC[NH2+]CC1 ZINC001218564607 780170851 /nfs/dbraw/zinc/17/08/51/780170851.db2.gz KWYHAVOFSBDYJX-QMMMGPOBSA-N 2 1 266.305 -1.226 20 0 CAADMP NC(=O)c1[nH]ncc1NC(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001218565539 780172403 /nfs/dbraw/zinc/17/24/03/780172403.db2.gz VKRWMJWCGUBCDH-JMCQJSRRSA-N 2 1 278.316 -1.354 20 0 CAADMP C[NH+]1CCN(c2ncc(NC(=O)C[C@H](O)C[NH3+])cn2)CC1 ZINC001218579318 780173630 /nfs/dbraw/zinc/17/36/30/780173630.db2.gz BWFYNTCCINXRHD-NSHDSACASA-N 2 1 294.359 -1.123 20 0 CAADMP Nc1c(NC(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)c(=O)c1=O ZINC001218588747 780173673 /nfs/dbraw/zinc/17/36/73/780173673.db2.gz ZZDYWJBLUYCFKT-ZETCQYMHSA-N 2 1 281.316 -2.446 20 0 CAADMP C[NH+](C)CCC(=O)N1CCO[C@@H]2C[N@H+](CCO)C[C@@H]21 ZINC001218600781 780175155 /nfs/dbraw/zinc/17/51/55/780175155.db2.gz NKXJJMDKJHLMJF-NWDGAFQWSA-N 2 1 271.361 -1.158 20 0 CAADMP C[NH+](C)CCC(=O)N1CCO[C@@H]2C[N@@H+](CCO)C[C@@H]21 ZINC001218600781 780175161 /nfs/dbraw/zinc/17/51/61/780175161.db2.gz NKXJJMDKJHLMJF-NWDGAFQWSA-N 2 1 271.361 -1.158 20 0 CAADMP Nc1cn(C(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)nc1N ZINC001218626945 780176369 /nfs/dbraw/zinc/17/63/69/780176369.db2.gz NZQSMFJFCWMVEO-SECBINFHSA-N 2 1 267.337 -1.562 20 0 CAADMP [NH3+]CCC[NH2+]CC(=O)Nc1cnn(C2C[NH2+]C2)c1 ZINC001218639680 780177815 /nfs/dbraw/zinc/17/78/15/780177815.db2.gz AEMUJGHRNVNXPA-UHFFFAOYSA-N 3 1 252.322 -1.096 20 0 CAADMP N[C@@H](CSCC[NH3+])C(=O)Nc1cnn(C2C[NH2+]C2)c1 ZINC001218639692 780178868 /nfs/dbraw/zinc/17/88/68/780178868.db2.gz ALOSOSCYJQFNIV-JTQLQIEISA-N 2 1 284.389 -1.015 20 0 CAADMP N[C@@H]1C[NH2+][C@H](C(=O)Nc2cnn(C3C[NH2+]C3)c2)C1 ZINC001218641951 780179004 /nfs/dbraw/zinc/17/90/04/780179004.db2.gz ZBLIPSCYZUSOMJ-XVKPBYJWSA-N 2 1 250.306 -1.345 20 0 CAADMP Nc1cn(C(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)ccc1=[NH2+] ZINC001218693477 780181290 /nfs/dbraw/zinc/18/12/90/780181290.db2.gz MCJVBYUPMBYKCL-GFCCVEGCSA-N 3 1 278.360 -1.060 20 0 CAADMP C[NH+](C)CCNC(=O)[C@H](N)CN1CCC([NH3+])CC1 ZINC001219553568 780228468 /nfs/dbraw/zinc/22/84/68/780228468.db2.gz AOFSLMRLUDQDLA-LLVKDONJSA-N 2 1 257.382 -1.585 20 0 CAADMP [NH3+]CC[C@H]([NH3+])C(=O)NCCC(=O)N1CCOCC1 ZINC001219572958 780233898 /nfs/dbraw/zinc/23/38/98/780233898.db2.gz CQFVSMHRWGUETL-VIFPVBQESA-N 2 1 258.322 -1.972 20 0 CAADMP CS(=O)(=O)N(CC[NH3+])C(=O)c1cnc(C[NH3+])s1 ZINC001219595433 780235004 /nfs/dbraw/zinc/23/50/04/780235004.db2.gz ACNAJAULVJOQRJ-UHFFFAOYSA-N 2 1 278.359 -1.038 20 0 CAADMP COC(=O)[C@@H]([NH3+])CCC(=O)N(CC[NH3+])S(C)(=O)=O ZINC001219593637 780235332 /nfs/dbraw/zinc/23/53/32/780235332.db2.gz BEJSRJWDKQYIIF-ZETCQYMHSA-N 2 1 281.334 -1.986 20 0 CAADMP [NH3+][C@@H](Cc1c[nH]cn1)C(=O)NC[C@]1(O)CC[NH2+]C[C@@H]1F ZINC001219616061 780237740 /nfs/dbraw/zinc/23/77/40/780237740.db2.gz NOCHTBQDMVGURN-JBLDHEPKSA-N 2 1 285.323 -1.542 20 0 CAADMP COC(=O)[C@@H]([NH3+])CCC(=O)NC[C@]1(O)CC[NH2+]C[C@@H]1F ZINC001219617888 780240303 /nfs/dbraw/zinc/24/03/03/780240303.db2.gz PMXGNTLIPGYCDZ-HOTUBEGUSA-N 2 1 291.323 -1.554 20 0 CAADMP O=C(NC[C@]1(O)CC[NH2+]C[C@@H]1F)[C@@H]1CSC[NH2+]1 ZINC001219617687 780240452 /nfs/dbraw/zinc/24/04/52/780240452.db2.gz OKHBMRVUIWSXNG-OYNCUSHFSA-N 2 1 263.338 -1.172 20 0 CAADMP O=C(C[N@H+]1CC[C@H](O)C1)NC[C@]1(O)CC[NH2+]C[C@@H]1F ZINC001219622514 780241063 /nfs/dbraw/zinc/24/10/63/780241063.db2.gz WLQDMQIFNUYUJJ-JBLDHEPKSA-N 2 1 275.324 -1.768 20 0 CAADMP O=C(C[N@@H+]1CC[C@H](O)C1)NC[C@]1(O)CC[NH2+]C[C@@H]1F ZINC001219622514 780241070 /nfs/dbraw/zinc/24/10/70/780241070.db2.gz WLQDMQIFNUYUJJ-JBLDHEPKSA-N 2 1 275.324 -1.768 20 0 CAADMP CN1CC[N@@H+](C)C[C@@H]1C(=O)NC[C@]1(O)CC[NH2+]C[C@@H]1F ZINC001219622680 780241456 /nfs/dbraw/zinc/24/14/56/780241456.db2.gz YTRGNKGAEYWHKS-NTZNESFSSA-N 2 1 288.367 -1.589 20 0 CAADMP [NH3+][C@H](C(=O)NC[C@]1(O)CCNC[C@@H]1F)C1CC[NH2+]CC1 ZINC001219620113 780241756 /nfs/dbraw/zinc/24/17/56/780241756.db2.gz WJZGHXOXJPCBRB-GMXVVIOVSA-N 2 1 288.367 -1.508 20 0 CAADMP [NH3+][C@@H](C(=O)NC[C@]1(O)CCNC[C@@H]1F)C1CC[NH2+]CC1 ZINC001219620112 780242145 /nfs/dbraw/zinc/24/21/45/780242145.db2.gz WJZGHXOXJPCBRB-DMDPSCGWSA-N 2 1 288.367 -1.508 20 0 CAADMP C[C@@]1(C(=O)NC[C@]2(O)CC[NH2+]C[C@@H]2F)COCC[NH2+]1 ZINC001219619884 780242156 /nfs/dbraw/zinc/24/21/56/780242156.db2.gz RDHGWSBKQMBBQS-ZMLRMANQSA-N 2 1 275.324 -1.456 20 0 CAADMP O=C(NC[C@]1(O)CC[NH2+]C[C@@H]1F)c1cnn2c1C[NH2+]CC2 ZINC001219627725 780243268 /nfs/dbraw/zinc/24/32/68/780243268.db2.gz DHFKAHBJBDROHQ-WCQYABFASA-N 2 1 297.334 -1.221 20 0 CAADMP O=C(NC[C@]1(O)CC[NH2+]C[C@@H]1F)c1cc2n(n1)CC[NH2+]C2 ZINC001219627862 780243779 /nfs/dbraw/zinc/24/37/79/780243779.db2.gz KQBQXSCCHBAJHQ-WCQYABFASA-N 2 1 297.334 -1.221 20 0 CAADMP C[C@@H](C[NH3+])C(=O)NCCS(=O)(=O)N1CC[NH2+]CC1 ZINC001219678684 780246676 /nfs/dbraw/zinc/24/66/76/780246676.db2.gz ZSNFLDYYAJHWIX-VIFPVBQESA-N 2 1 278.378 -2.068 20 0 CAADMP [NH3+]C[C@@H](O)CC(=O)NCCS(=O)(=O)N1CC[NH2+]CC1 ZINC001219676629 780246850 /nfs/dbraw/zinc/24/68/50/780246850.db2.gz RHKLKZSVRUDKOE-VIFPVBQESA-N 2 1 294.377 -2.953 20 0 CAADMP CCOC(=O)c1nc[nH]c1CNC(=O)[C@@H]([NH3+])CC[NH3+] ZINC001219676568 780246942 /nfs/dbraw/zinc/24/69/42/780246942.db2.gz PCPVLDVLCNHTLI-ZETCQYMHSA-N 2 1 269.305 -1.121 20 0 CAADMP [NH3+]C[C@H](O)CC(=O)NCCS(=O)(=O)N1CC[NH2+]CC1 ZINC001219676628 780247637 /nfs/dbraw/zinc/24/76/37/780247637.db2.gz RHKLKZSVRUDKOE-SECBINFHSA-N 2 1 294.377 -2.953 20 0 CAADMP NC(=O)C1(NC(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)CC1 ZINC001219681937 780249202 /nfs/dbraw/zinc/24/92/02/780249202.db2.gz FOTGZQVCQYTYFO-VIFPVBQESA-N 2 1 269.349 -2.129 20 0 CAADMP CN1CCO[C@H](CNC(=O)C[NH2+]C2CC[NH2+]CC2)C1 ZINC001219695235 780250192 /nfs/dbraw/zinc/25/01/92/780250192.db2.gz RWRXZNNDMLEAHJ-GFCCVEGCSA-N 2 1 270.377 -1.225 20 0 CAADMP O=C(C[NH2+]C1CC[NH2+]CC1)NCCC1(O)C[NH2+]C1 ZINC001219697028 780250933 /nfs/dbraw/zinc/25/09/33/780250933.db2.gz OWTUKGDHZZRCGE-UHFFFAOYSA-N 3 1 256.350 -1.831 20 0 CAADMP Nc1nc(=O)[nH]cc1NC(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001219701345 780251761 /nfs/dbraw/zinc/25/17/61/780251761.db2.gz LUXOTZROPQDYHF-MRVPVSSYSA-N 2 1 295.347 -1.547 20 0 CAADMP Nc1nc(=O)[nH]cc1NC(=O)[C@H](N)C[NH+]1CCC([NH3+])CC1 ZINC001219701345 780251766 /nfs/dbraw/zinc/25/17/66/780251766.db2.gz LUXOTZROPQDYHF-MRVPVSSYSA-N 2 1 295.347 -1.547 20 0 CAADMP Nc1nc(=O)[nH]cc1NC(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001219701346 780252533 /nfs/dbraw/zinc/25/25/33/780252533.db2.gz LUXOTZROPQDYHF-QMMMGPOBSA-N 2 1 295.347 -1.547 20 0 CAADMP Nc1nc(=O)[nH]cc1NC(=O)[C@@H](N)C[NH+]1CCC([NH3+])CC1 ZINC001219701346 780252540 /nfs/dbraw/zinc/25/25/40/780252540.db2.gz LUXOTZROPQDYHF-QMMMGPOBSA-N 2 1 295.347 -1.547 20 0 CAADMP N[C@H](CN1CCC([NH3+])CC1)C(=O)N[C@@H]1C[NH2+]C[C@H]1O ZINC001219714758 780252645 /nfs/dbraw/zinc/25/26/45/780252645.db2.gz XHTNTYYSZLSQHK-GMTAPVOTSA-N 2 1 271.365 -2.814 20 0 CAADMP N[C@H](CN1CCC([NH3+])CC1)C(=O)N[C@@H]1COC[C@@H]1[NH3+] ZINC001219720291 780253030 /nfs/dbraw/zinc/25/30/30/780253030.db2.gz HYSOEPLZMXZIMI-OUAUKWLOSA-N 2 1 271.365 -2.421 20 0 CAADMP CC[NH+](CC)C[C@H](F)C(=O)N[C@@H]1C[N@H+](CCO)C[C@@H]1O ZINC001219724708 780253189 /nfs/dbraw/zinc/25/31/89/780253189.db2.gz YCDAKDCKCAUOFH-TUAOUCFPSA-N 2 1 291.367 -1.180 20 0 CAADMP CC[NH+](CC)C[C@H](F)C(=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001219724708 780253196 /nfs/dbraw/zinc/25/31/96/780253196.db2.gz YCDAKDCKCAUOFH-TUAOUCFPSA-N 2 1 291.367 -1.180 20 0 CAADMP O=C(NC[C@@H]1CC2(C[NH2+]C2)CO1)[C@@H]1COCC[NH2+]1 ZINC001219736533 780253818 /nfs/dbraw/zinc/25/38/18/780253818.db2.gz DITZWNPOBRCYIG-UWVGGRQHSA-N 2 1 255.318 -1.531 20 0 CAADMP COC(=O)[C@@H]([NH3+])CCC(=O)NC[C@@H]1CC2(C[NH2+]C2)CO1 ZINC001219737019 780254862 /nfs/dbraw/zinc/25/48/62/780254862.db2.gz MUWOZPBKUJLUSI-UWVGGRQHSA-N 2 1 285.344 -1.238 20 0 CAADMP N[C@H]1C[NH2+][C@H](C(=O)NC[C@H]2CC3(C[NH2+]C3)CO2)C1 ZINC001219737553 780255975 /nfs/dbraw/zinc/25/59/75/780255975.db2.gz YZKMHYOGVPJUKL-BBBLOLIVSA-N 2 1 254.334 -1.830 20 0 CAADMP [NH3+]CCC[C@H]([NH3+])C(=O)NCc1nnc2n1CCCNC2 ZINC001219746957 780256530 /nfs/dbraw/zinc/25/65/30/780256530.db2.gz OZGFJAXDVKBUFE-VIFPVBQESA-N 2 1 281.364 -1.546 20 0 CAADMP [NH3+]CCCNCC(=O)NCc1nnc2n1CCC[NH2+]C2 ZINC001219748777 780256665 /nfs/dbraw/zinc/25/66/65/780256665.db2.gz BPDBRDGXSWRUAD-UHFFFAOYSA-N 2 1 281.364 -1.674 20 0 CAADMP [NH3+]CCC[C@@H]([NH3+])C(=O)NC[C@H]1C[C@H]2CNCC[N@H+]2C1 ZINC001219765015 780258250 /nfs/dbraw/zinc/25/82/50/780258250.db2.gz RVLVVWGACFHMCW-GRYCIOLGSA-N 3 1 269.393 -1.538 20 0 CAADMP [NH3+]CCC[C@@H]([NH3+])C(=O)NC[C@H]1C[C@H]2C[NH2+]CCN2C1 ZINC001219765015 780258253 /nfs/dbraw/zinc/25/82/53/780258253.db2.gz RVLVVWGACFHMCW-GRYCIOLGSA-N 3 1 269.393 -1.538 20 0 CAADMP [NH3+][C@@H](C(=O)NC[C@H]1C[C@H]2CNCC[N@H+]2C1)C1CC[NH2+]CC1 ZINC001219766185 780258616 /nfs/dbraw/zinc/25/86/16/780258616.db2.gz NMSNNCREOWOYCH-KWCYVHTRSA-N 3 1 295.431 -1.277 20 0 CAADMP [NH3+][C@@H](C(=O)NC[C@H]1C[C@H]2C[NH2+]CCN2C1)C1CC[NH2+]CC1 ZINC001219766185 780258622 /nfs/dbraw/zinc/25/86/22/780258622.db2.gz NMSNNCREOWOYCH-KWCYVHTRSA-N 3 1 295.431 -1.277 20 0 CAADMP O=C(NC[C@H]1C[C@H]2CNCC[N@H+]2C1)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1 ZINC001219765052 780259008 /nfs/dbraw/zinc/25/90/08/780259008.db2.gz SYQUPZBBGFMXPE-IKOXMDCHSA-N 2 1 293.415 -1.654 20 0 CAADMP O=C(NC[C@H]1C[C@H]2C[NH2+]CCN2C1)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1 ZINC001219765052 780259012 /nfs/dbraw/zinc/25/90/12/780259012.db2.gz SYQUPZBBGFMXPE-IKOXMDCHSA-N 2 1 293.415 -1.654 20 0 CAADMP [NH3+][C@H](C(=O)NC[C@H]1C[C@H]2CNCC[N@H+]2C1)C1CC[NH2+]CC1 ZINC001219766187 780259495 /nfs/dbraw/zinc/25/94/95/780259495.db2.gz NMSNNCREOWOYCH-XBFCOCLRSA-N 3 1 295.431 -1.277 20 0 CAADMP [NH3+][C@H](C(=O)NC[C@H]1C[C@H]2C[NH2+]CCN2C1)C1CC[NH2+]CC1 ZINC001219766187 780259499 /nfs/dbraw/zinc/25/94/99/780259499.db2.gz NMSNNCREOWOYCH-XBFCOCLRSA-N 3 1 295.431 -1.277 20 0 CAADMP O=C(NC[C@H]1C[C@H]2CNCC[N@H+]2C1)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001219764199 780259595 /nfs/dbraw/zinc/25/95/95/780259595.db2.gz AMIOFYAPHQNFIG-AGIUHOORSA-N 3 1 293.415 -1.795 20 0 CAADMP O=C(NC[C@H]1C[C@H]2C[NH2+]CCN2C1)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001219764199 780259598 /nfs/dbraw/zinc/25/95/98/780259598.db2.gz AMIOFYAPHQNFIG-AGIUHOORSA-N 3 1 293.415 -1.795 20 0 CAADMP O=C(NC[C@H]1C[C@H]2CNCC[N@H+]2C1)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001219764201 780259778 /nfs/dbraw/zinc/25/97/78/780259778.db2.gz AMIOFYAPHQNFIG-FRRDWIJNSA-N 3 1 293.415 -1.795 20 0 CAADMP O=C(NC[C@H]1C[C@H]2C[NH2+]CCN2C1)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001219764201 780259782 /nfs/dbraw/zinc/25/97/82/780259782.db2.gz AMIOFYAPHQNFIG-FRRDWIJNSA-N 3 1 293.415 -1.795 20 0 CAADMP O=C(NC1CCN(C2CC[NH2+]CC2)CC1)[C@@H]1C[NH2+]C[C@H]1O ZINC001219796120 780260292 /nfs/dbraw/zinc/26/02/92/780260292.db2.gz NDLOZWZAFMPYLI-ZIAGYGMSSA-N 2 1 296.415 -1.101 20 0 CAADMP O=C(NC1CCN(C2CC[NH2+]CC2)CC1)[C@@H]1C[NH2+]C[C@@H]1O ZINC001219796118 780260714 /nfs/dbraw/zinc/26/07/14/780260714.db2.gz NDLOZWZAFMPYLI-KGLIPLIRSA-N 2 1 296.415 -1.101 20 0 CAADMP O=C(NC1CCN(C2CC[NH2+]CC2)CC1)[C@H]1C[NH2+]C[C@H]1O ZINC001219796119 780261325 /nfs/dbraw/zinc/26/13/25/780261325.db2.gz NDLOZWZAFMPYLI-UONOGXRCSA-N 2 1 296.415 -1.101 20 0 CAADMP O=C(NC[C@]12C[NH2+]C[C@H]1COC2)[C@@H]1COCC[NH2+]1 ZINC001219812732 780263294 /nfs/dbraw/zinc/26/32/94/780263294.db2.gz IFGBDJVNXZBSNA-NHCYSSNCSA-N 2 1 255.318 -1.673 20 0 CAADMP N[C@H]1C[NH2+][C@H](C(=O)NC[C@]23C[NH2+]C[C@H]2COC3)C1 ZINC001219813443 780264138 /nfs/dbraw/zinc/26/41/38/780264138.db2.gz UJXUZWHGERFOOJ-WYFGTUCQSA-N 2 1 254.334 -1.972 20 0 CAADMP C[C@@H](C(N)=O)N1C[C@@H](NC(=O)C[N@@H+](C)C2CCC2)[C@@H](O)C1 ZINC001219814006 780264306 /nfs/dbraw/zinc/26/43/06/780264306.db2.gz OBYLIJAMGCCVOI-WCQGTBRESA-N 2 1 298.387 -1.494 20 0 CAADMP N[C@@H]1C[NH2+][C@H](C(=O)NC[C@H]2C[C@@H]3C[NH2+]C[C@@H]3O2)C1 ZINC001219831817 780264863 /nfs/dbraw/zinc/26/48/63/780264863.db2.gz ZAMMWTUGKGQTNN-XXFSISAASA-N 2 1 254.334 -1.831 20 0 CAADMP C[C@H](C(N)=O)N1C[C@@H](NC(=O)C[N@@H+](C)C2CCC2)[C@@H](O)C1 ZINC001219814005 780265187 /nfs/dbraw/zinc/26/51/87/780265187.db2.gz OBYLIJAMGCCVOI-JLLWLGSASA-N 2 1 298.387 -1.494 20 0 CAADMP O=C(NC[C@H]1CO[C@@]2(C1)C[NH2+]CCOC2)[C@@H]1COC[NH2+]1 ZINC001219834933 780265744 /nfs/dbraw/zinc/26/57/44/780265744.db2.gz VGCIVHABRDTUBG-GVXVVHGQSA-N 2 1 285.344 -1.556 20 0 CAADMP O=C(NC[C@H]1CO[C@]2(C1)C[NH2+]CCOC2)[C@@H]1COCC[NH2+]1 ZINC001219839206 780266072 /nfs/dbraw/zinc/26/60/72/780266072.db2.gz YDLDEHCYTJOPME-SGMGOOAPSA-N 2 1 299.371 -1.514 20 0 CAADMP O=C(NC[C@H]1CO[C@]2(C1)C[NH2+]CCOC2)[C@@H]1COC[NH2+]1 ZINC001219834932 780266357 /nfs/dbraw/zinc/26/63/57/780266357.db2.gz VGCIVHABRDTUBG-GMXVVIOVSA-N 2 1 285.344 -1.556 20 0 CAADMP N[C@@H]1C[NH2+][C@H](C(=O)NC[C@@H]2CO[C@]3(C2)C[NH2+]CCOC3)C1 ZINC001219837061 780266580 /nfs/dbraw/zinc/26/65/80/780266580.db2.gz HCBVEGOOOYRZSM-OWTLIXCDSA-N 2 1 298.387 -1.813 20 0 CAADMP [NH3+]CC[C@H]([NH3+])C(=O)NC[C@H]1CO[C@@]2(C1)C[NH2+]CCOC2 ZINC001219838589 780266602 /nfs/dbraw/zinc/26/66/02/780266602.db2.gz SCCJRYKSSRCVNQ-GVXVVHGQSA-N 3 1 286.376 -1.826 20 0 CAADMP O=C(NC[C@@H]1CO[C@@]2(C1)C[NH2+]CCOC2)[C@@H]1COCC[NH2+]1 ZINC001219839201 780266610 /nfs/dbraw/zinc/26/66/10/780266610.db2.gz YDLDEHCYTJOPME-DYEKYZERSA-N 2 1 299.371 -1.514 20 0 CAADMP O=C(C[NH2+]C1CC[NH2+]CC1)N[C@H]1CC[C@@H]2[NH2+]CCO[C@@H]12 ZINC001219847246 780267314 /nfs/dbraw/zinc/26/73/14/780267314.db2.gz AXQMJHMHVYSYBP-SGMGOOAPSA-N 3 1 282.388 -1.036 20 0 CAADMP O=C(N[C@H]1CC[C@@H]2[NH2+]CCO[C@@H]12)[C@@H]1COCC[NH2+]1 ZINC001219847476 780267547 /nfs/dbraw/zinc/26/75/47/780267547.db2.gz IOKWSASMMQXRQC-XWLWVQCSSA-N 2 1 255.318 -1.390 20 0 CAADMP COC(=O)[C@@H]([NH3+])CCC(=O)N[C@H]1CO[C@@H]2C[NH2+]C[C@H]12 ZINC001219854708 780269892 /nfs/dbraw/zinc/26/98/92/780269892.db2.gz QRVPBBUAEMMRBK-XFWSIPNHSA-N 2 1 271.317 -1.630 20 0 CAADMP [NH3+][C@H](Cc1c[nH]cn1)C(=O)N[C@H]1CO[C@@H]2C[NH2+]C[C@H]12 ZINC001219854739 780270197 /nfs/dbraw/zinc/27/01/97/780270197.db2.gz SBINAHOXRLNQHN-CHWFTXMASA-N 2 1 265.317 -1.618 20 0 CAADMP [NH3+]CC[C@H]([NH3+])C(=O)NC[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21 ZINC001219852067 780270234 /nfs/dbraw/zinc/27/02/34/780270234.db2.gz KWWHNSQBYPEGJT-XWLWVQCSSA-N 3 1 256.350 -1.597 20 0 CAADMP CN1C[C@H](C(=O)NCC[NH3+])OC2(CC[NH2+]CC2)C1 ZINC001219867684 780271399 /nfs/dbraw/zinc/27/13/99/780271399.db2.gz NTPFFJPRJQOCGU-SNVBAGLBSA-N 2 1 256.350 -1.486 20 0 CAADMP C[N@H+]1C[C@H](C(=O)NCC[NH3+])OC2(CC[NH2+]CC2)C1 ZINC001219867684 780271392 /nfs/dbraw/zinc/27/13/92/780271392.db2.gz NTPFFJPRJQOCGU-SNVBAGLBSA-N 3 1 256.350 -1.486 20 0 CAADMP N[C@@H](CN1CCC([NH3+])CC1)C(=O)NCC[NH2+]CCO ZINC001219918218 780276585 /nfs/dbraw/zinc/27/65/85/780276585.db2.gz HVUDJZWCRONGQK-NSHDSACASA-N 2 1 273.381 -2.565 20 0 CAADMP COC(=O)[C@@H]1C[C@@H](NC(=O)C[NH2+]C2CC[NH2+]CC2)CN1 ZINC001219965612 780282849 /nfs/dbraw/zinc/28/28/49/780282849.db2.gz UNMANXVLYXDUPN-MNOVXSKESA-N 2 1 284.360 -1.652 20 0 CAADMP COC(=O)C1(NC(=O)[C@@H]2C[C@H](N)C[NH2+]2)CC[NH2+]CC1 ZINC001220001226 780287292 /nfs/dbraw/zinc/28/72/92/780287292.db2.gz MFYOWMMXISTPHS-IUCAKERBSA-N 2 1 270.333 -1.913 20 0 CAADMP COC(=O)C1(NC(=O)C[NH2+]C2CC[NH2+]CC2)CC[NH2+]CC1 ZINC001219998996 780287868 /nfs/dbraw/zinc/28/78/68/780287868.db2.gz HLOMMHIHKPPOQA-UHFFFAOYSA-N 3 1 298.387 -1.261 20 0 CAADMP COC(=O)C1(NC(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H](N)C3)CC[NH2+]CC1 ZINC001220001363 780288308 /nfs/dbraw/zinc/28/83/08/780288308.db2.gz PYNFLRQEIMOYDC-RULNRJAQSA-N 2 1 296.371 -1.380 20 0 CAADMP CC(=O)OC[C@H]([NH3+])C(=O)n1cnc(C[NH3+])cc1=N ZINC001220020291 780290868 /nfs/dbraw/zinc/29/08/68/780290868.db2.gz DDIDCKHFZYTONE-QMMMGPOBSA-N 2 1 253.262 -1.648 20 0 CAADMP N=c1cc(C[NH3+])ncn1C(=O)[C@@H]([NH3+])Cc1c[nH]cn1 ZINC001220020361 780291354 /nfs/dbraw/zinc/29/13/54/780291354.db2.gz GDVXZBUONWZJPV-VIFPVBQESA-N 2 1 261.289 -1.245 20 0 CAADMP CC(C)[C@@](C)(NC(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1)C(N)=O ZINC001220023384 780293329 /nfs/dbraw/zinc/29/33/29/780293329.db2.gz WUFBEOIUWDFBAE-SMDDNHRTSA-N 2 1 299.419 -1.247 20 0 CAADMP Cc1ncc(C[NH3+])c(=N)n1C(=O)[C@@H](N)CSCC[NH3+] ZINC001220043047 780296391 /nfs/dbraw/zinc/29/63/91/780296391.db2.gz CNZFEOLFWATUTK-VIFPVBQESA-N 2 1 284.389 -1.211 20 0 CAADMP COc1ncnc(OC)c1CNC(=O)[C@@H]([NH3+])CC[NH3+] ZINC001220045203 780297098 /nfs/dbraw/zinc/29/70/98/780297098.db2.gz PVCAQDRMMYZJBW-QMMMGPOBSA-N 2 1 269.305 -1.214 20 0 CAADMP N=c1cc(C[NH3+])ccn1C(=O)[C@@H](N)CN1CCC([NH3+])CC1 ZINC001220045027 780297646 /nfs/dbraw/zinc/29/76/46/780297646.db2.gz IRSMYZILYJHDKT-LBPRGKRZSA-N 2 1 292.387 -1.183 20 0 CAADMP Cc1ncc(C[NH3+])c(=N)n1C(=O)[C@@H]1C[C@@H](N)C[NH2+]1 ZINC001220043407 780298061 /nfs/dbraw/zinc/29/80/61/780298061.db2.gz PZAOEAHHCQSUID-BDAKNGLRSA-N 2 1 250.306 -1.541 20 0 CAADMP N=c1cc(C[NH3+])ccn1C(=O)[C@H](N)CN1CCC([NH3+])CC1 ZINC001220045026 780298120 /nfs/dbraw/zinc/29/81/20/780298120.db2.gz IRSMYZILYJHDKT-GFCCVEGCSA-N 2 1 292.387 -1.183 20 0 CAADMP Cc1[nH+]c(N)ccc1CNC(=O)[C@H]1COC2(C[NH2+]C2)CN1 ZINC001220071457 780299638 /nfs/dbraw/zinc/29/96/38/780299638.db2.gz DLJJEMULLZTERV-LLVKDONJSA-N 2 1 291.355 -1.081 20 0 CAADMP Cc1ncc(CO)c(CNC(=O)[C@@H]([NH3+])CC[NH3+])c1O ZINC001220093179 780301151 /nfs/dbraw/zinc/30/11/51/780301151.db2.gz SQIKRJKQMVKUPC-JTQLQIEISA-N 2 1 268.317 -1.120 20 0 CAADMP NC(=[NH2+])N(CCCC[NH3+])C(=O)[C@@H]1C[NH2+]CC12CNC2 ZINC001220101460 780302076 /nfs/dbraw/zinc/30/20/76/780302076.db2.gz OPFYDKGFVKYJLF-VIFPVBQESA-N 3 1 268.365 -1.744 20 0 CAADMP NC(=[NH2+])N(CCCC[NH3+])C(=O)[C@@H]([NH3+])CSCC[NH3+] ZINC001220103049 780302424 /nfs/dbraw/zinc/30/24/24/780302424.db2.gz DFRFTWPZWJJMKC-QMMMGPOBSA-N 4 1 276.410 -1.533 20 0 CAADMP N=C(NC(=O)[C@H](N)CN1CCC([NH3+])CC1)SCC[NH3+] ZINC001220106626 780303456 /nfs/dbraw/zinc/30/34/56/780303456.db2.gz VLJXPUALUXLRIE-SECBINFHSA-N 2 1 288.421 -1.520 20 0 CAADMP N=C(NC(=O)[C@@H](N)CN1CCC([NH3+])CC1)SCC[NH3+] ZINC001220106627 780304567 /nfs/dbraw/zinc/30/45/67/780304567.db2.gz VLJXPUALUXLRIE-VIFPVBQESA-N 2 1 288.421 -1.520 20 0 CAADMP CCC(CO)(CO)NC(=O)C[NH2+]C1CC[NH2+]CC1 ZINC001220109491 780305371 /nfs/dbraw/zinc/30/53/71/780305371.db2.gz BXLWRJGDLSLFPQ-UHFFFAOYSA-N 2 1 259.350 -1.422 20 0 CAADMP CC(C)[NH+]1CC(NC(=O)[C@@H]2COC3(C[NH2+]C3)CN2)C1 ZINC001220159391 780313668 /nfs/dbraw/zinc/31/36/68/780313668.db2.gz OESQYWQAUCBXHT-NSHDSACASA-N 2 1 268.361 -1.474 20 0 CAADMP C[N@H+]1CCC[C@H](NC(=O)CN(CC[NH3+])S(C)(=O)=O)C1 ZINC001220158684 780313966 /nfs/dbraw/zinc/31/39/66/780313966.db2.gz DMMABCVNMHNHFV-JTQLQIEISA-N 2 1 292.405 -1.583 20 0 CAADMP C[N@H+]1CCC[C@H](NC(=O)[C@H]([NH3+])CCCNC(N)=O)C1 ZINC001220157008 780314725 /nfs/dbraw/zinc/31/47/25/780314725.db2.gz TZEBMEZZALJUKF-VHSXEESVSA-N 2 1 271.365 -1.027 20 0 CAADMP CC(C)[NH+]1CC(NC(=O)CN(CC[NH3+])S(C)(=O)=O)C1 ZINC001220159645 780314844 /nfs/dbraw/zinc/31/48/44/780314844.db2.gz PTDXNIOFGIRAPN-UHFFFAOYSA-N 2 1 292.405 -1.585 20 0 CAADMP O=C(C[NH2+]C1CC[NH2+]CC1)N[C@H]1COCCC12OCCO2 ZINC001220173027 780316338 /nfs/dbraw/zinc/31/63/38/780316338.db2.gz HAHYYNSOFLAJIA-LBPRGKRZSA-N 2 1 299.371 -1.024 20 0 CAADMP O=C(NCC1([NH+]2CCCC2)COC1)[C@H]1C[NH2+]C[C@@H]1O ZINC001220197638 780318405 /nfs/dbraw/zinc/31/84/05/780318405.db2.gz MIVBERILZACURA-QWRGUYRKSA-N 2 1 269.345 -1.452 20 0 CAADMP [NH3+]C[C@H](O)CC(=O)NCC1([NH+]2CCCC2)COC1 ZINC001220197530 780318611 /nfs/dbraw/zinc/31/86/11/780318611.db2.gz IJFXOSGXPBZIKK-SNVBAGLBSA-N 2 1 257.334 -1.323 20 0 CAADMP [NH3+]C[C@@H](O)CC(=O)NCC1([NH+]2CCCC2)COC1 ZINC001220197529 780318955 /nfs/dbraw/zinc/31/89/55/780318955.db2.gz IJFXOSGXPBZIKK-JTQLQIEISA-N 2 1 257.334 -1.323 20 0 CAADMP CCOC(=O)CC1(NC(=O)[C@@H]([NH3+])CC[NH3+])COC1 ZINC001220215398 780320551 /nfs/dbraw/zinc/32/05/51/780320551.db2.gz VLAZGBUWQIFHLB-QMMMGPOBSA-N 2 1 259.306 -1.499 20 0 CAADMP C[C@H](O)C[N@@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C1 ZINC001220237453 780323640 /nfs/dbraw/zinc/32/36/40/780323640.db2.gz XARGVPHWKAVPLM-TUAOUCFPSA-N 2 1 273.377 -1.130 20 0 CAADMP CN1C[C@@H](CNC(=O)C[NH2+]C2CC[NH2+]CC2)CC1=O ZINC001220245568 780324622 /nfs/dbraw/zinc/32/46/22/780324622.db2.gz UDVRCSXYMHMZAB-SNVBAGLBSA-N 2 1 268.361 -1.078 20 0 CAADMP C[N@H+]1CCC[C@H]1CCNC(=O)[C@H]1COC2(C[NH2+]C2)CN1 ZINC001220252061 780326583 /nfs/dbraw/zinc/32/65/83/780326583.db2.gz NDJNSZHSIBTLLB-NWDGAFQWSA-N 2 1 282.388 -1.083 20 0 CAADMP C[N@H+]1CCC[C@@H]1CCNC(=O)[C@H]1COC2(C[NH2+]C2)CN1 ZINC001220252063 780326990 /nfs/dbraw/zinc/32/69/90/780326990.db2.gz NDJNSZHSIBTLLB-VXGBXAGGSA-N 2 1 282.388 -1.083 20 0 CAADMP CN(C)S(=O)(=O)CCNC(=O)C[NH2+]C1CC[NH2+]CC1 ZINC001220268472 780328203 /nfs/dbraw/zinc/32/82/03/780328203.db2.gz KCVQJTODTDGJTO-UHFFFAOYSA-N 2 1 292.405 -1.664 20 0 CAADMP COC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001220275401 780330255 /nfs/dbraw/zinc/33/02/55/780330255.db2.gz XHCNIVRCJUQFFI-UTUOFQBUSA-N 2 1 289.376 -1.893 20 0 CAADMP O=C(N[C@@H](CO)Cc1cnc[nH]1)[C@H]1[NH2+]CC[C@@H]1O ZINC001220291792 780331187 /nfs/dbraw/zinc/33/11/87/780331187.db2.gz XTWMGCDWZTVTBQ-UTLUCORTSA-N 2 1 254.290 -1.848 20 0 CAADMP [NH3+]CCC[C@H]([NH3+])C(=O)N[C@@H](CO)Cc1cnc[nH]1 ZINC001220290981 780331629 /nfs/dbraw/zinc/33/16/29/780331629.db2.gz JCZNSVZBPKCBKN-ZJUUUORDSA-N 2 1 255.322 -1.505 20 0 CAADMP O=C(N[C@@H](CO)Cc1cnc[nH]1)[C@@H]1C[C@H](O)C[NH2+]1 ZINC001220292020 780331878 /nfs/dbraw/zinc/33/18/78/780331878.db2.gz ZGMCRPVHDUJRQN-UTLUCORTSA-N 2 1 254.290 -1.848 20 0 CAADMP O=C(N[C@@H](CO)Cc1cnc[nH]1)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220290771 780332067 /nfs/dbraw/zinc/33/20/67/780332067.db2.gz DMKCNHJVFZODHY-GHMZBOCLSA-N 2 1 279.344 -1.762 20 0 CAADMP [NH3+][C@@H](C(=O)N[C@@H](CO)Cc1cnc[nH]1)C1CC[NH2+]CC1 ZINC001220291806 780332132 /nfs/dbraw/zinc/33/21/32/780332132.db2.gz YCUCBUSGNFKRJJ-VXGBXAGGSA-N 3 1 281.360 -1.244 20 0 CAADMP C[N@H+]1CCCN(CCNC(=O)[C@@]23C[NH2+]C[C@H]2CCN3)CC1 ZINC001220304198 780333338 /nfs/dbraw/zinc/33/33/38/780333338.db2.gz TZRMLODVIODPHT-UKRRQHHQSA-N 2 1 295.431 -1.308 20 0 CAADMP N[C@H]1C[NH2+][C@H](C(=O)NCc2ncn3c2C[NH2+]CCC3)C1 ZINC001220310499 780333373 /nfs/dbraw/zinc/33/33/73/780333373.db2.gz BAMQZIDNAYYZPZ-ZJUUUORDSA-N 2 1 278.360 -1.318 20 0 CAADMP C[N@H+]1CCCN(CCNC(=O)C[C@H](O)C[NH3+])CC1 ZINC001220304192 780334105 /nfs/dbraw/zinc/33/41/05/780334105.db2.gz TVWLGXYAPIZWFY-NSHDSACASA-N 2 1 258.366 -1.550 20 0 CAADMP C[N@H+]1CCCN(CCNC(=O)[C@H]2C[NH2+]C[C@@H]2N)CC1 ZINC001220306275 780334196 /nfs/dbraw/zinc/33/41/96/780334196.db2.gz HLJXBWJGCUKZKE-RYUDHWBXSA-N 2 1 269.393 -1.713 20 0 CAADMP C[N@H+]1CCCN(CCNC(=O)[C@]23C[NH2+]C[C@@H]2CCN3)CC1 ZINC001220304199 780334212 /nfs/dbraw/zinc/33/42/12/780334212.db2.gz TZRMLODVIODPHT-ZFWWWQNUSA-N 2 1 295.431 -1.308 20 0 CAADMP [NH3+]CC[C@H]([NH3+])C(=O)N[C@@H]1CO[C@]2(C1)CCC[NH2+]C2 ZINC001220321489 780336452 /nfs/dbraw/zinc/33/64/52/780336452.db2.gz URMVAKVETPVGJD-NHCYSSNCSA-N 3 1 256.350 -1.310 20 0 CAADMP [NH3+]CCCNCC(=O)N[C@@H]1CO[C@@]2(C1)CCC[NH2+]C2 ZINC001220319759 780336593 /nfs/dbraw/zinc/33/65/93/780336593.db2.gz JHSWZOKHEJSFMO-WCQYABFASA-N 2 1 270.377 -1.048 20 0 CAADMP [NH3+]CCCNCC(=O)N[C@H]1CO[C@]2(C1)CCC[NH2+]C2 ZINC001220319761 780336760 /nfs/dbraw/zinc/33/67/60/780336760.db2.gz JHSWZOKHEJSFMO-YPMHNXCESA-N 2 1 270.377 -1.048 20 0 CAADMP [NH3+]CC[C@H]([NH3+])C(=O)N[C@H]1CO[C@@]2(C1)CCC[NH2+]C2 ZINC001220321488 780336923 /nfs/dbraw/zinc/33/69/23/780336923.db2.gz URMVAKVETPVGJD-JFGNBEQYSA-N 3 1 256.350 -1.310 20 0 CAADMP C=CC(=O)NCCNC(=O)C[NH2+]C1CC[NH2+]CC1 ZINC001220394476 780345531 /nfs/dbraw/zinc/34/55/31/780345531.db2.gz IFIKNUOMWVORLW-UHFFFAOYSA-N 2 1 254.334 -1.254 20 0 CAADMP O=C(NC[C@@H]1COCCN1)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220428873 780347885 /nfs/dbraw/zinc/34/78/85/780347885.db2.gz GVDVCELVUDAGRI-ZJUUUORDSA-N 2 1 254.334 -2.100 20 0 CAADMP COC(=O)[C@@H]([NH3+])CCC(=O)NC[C@@H]1COCC[NH2+]1 ZINC001220429476 780348616 /nfs/dbraw/zinc/34/86/16/780348616.db2.gz SCFCFBDWRWXVGH-BDAKNGLRSA-N 2 1 259.306 -1.629 20 0 CAADMP [NH3+]CCCC[C@H]([NH3+])CC(=O)NC[C@H]1COCCN1 ZINC001220431754 780348685 /nfs/dbraw/zinc/34/86/85/780348685.db2.gz OZBFVTMYURXPJA-QWRGUYRKSA-N 2 1 258.366 -1.063 20 0 CAADMP O=C(NC[C@H]1COCCN1)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001220429268 780348783 /nfs/dbraw/zinc/34/87/83/780348783.db2.gz OMJCFNBVJMPBBI-NWDGAFQWSA-N 2 1 282.388 -1.035 20 0 CAADMP [NH3+]CCOCCOCCNC(=O)[C@H]([NH3+])Cc1c[nH]cn1 ZINC001220517437 780356998 /nfs/dbraw/zinc/35/69/98/780356998.db2.gz LQYMNKFLXKOXPG-LLVKDONJSA-N 2 1 285.348 -1.612 20 0 CAADMP CN(CC[NH3+])CCNC(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H](N)C2 ZINC001220515391 780357919 /nfs/dbraw/zinc/35/79/19/780357919.db2.gz AIBRMJXNDLRSAB-FOGDFJRCSA-N 2 1 255.366 -1.785 20 0 CAADMP CN(CC[NH3+])CCNC(=O)[C@H](N)CN1CCC([NH3+])CC1 ZINC001220517692 780358421 /nfs/dbraw/zinc/35/84/21/780358421.db2.gz WFBLXXAJFZJFFP-GFCCVEGCSA-N 2 1 286.424 -2.257 20 0 CAADMP COC(=O)[C@@H]([NH3+])CCC(=O)NCCOCCOCC[NH3+] ZINC001220519204 780358906 /nfs/dbraw/zinc/35/89/06/780358906.db2.gz GGUXDUHWPRXGRT-JTQLQIEISA-N 2 1 291.348 -1.625 20 0 CAADMP [NH3+]CCOCCOCCNC(=O)[C@@H]1COCC[NH2+]1 ZINC001220519711 780358943 /nfs/dbraw/zinc/35/89/43/780358943.db2.gz YTBYTJPPDODYON-JTQLQIEISA-N 2 1 261.322 -1.917 20 0 CAADMP CCOC(=O)C1=C(NC(=O)[C@@H]2COC[NH2+]2)CC[NH2+]C1 ZINC001220521346 780359630 /nfs/dbraw/zinc/35/96/30/780359630.db2.gz DACUSUZCNJOVRT-JTQLQIEISA-N 2 1 269.301 -1.141 20 0 CAADMP CCOC(=O)C1=C(NC(=O)[C@@H]2C[C@@H](N)C[NH2+]2)CC[NH2+]C1 ZINC001220523602 780359810 /nfs/dbraw/zinc/35/98/10/780359810.db2.gz RZDQRFJQKGGRJV-KCJUWKMLSA-N 2 1 282.344 -1.398 20 0 CAADMP [NH3+]CCOCCOCCNC(=O)C[NH2+]C1CC[NH2+]CC1 ZINC001220519232 780360107 /nfs/dbraw/zinc/36/01/07/780360107.db2.gz HHRAMDMQWWULEF-UHFFFAOYSA-N 3 1 288.392 -1.564 20 0 CAADMP CCOC(=O)C1=C(NC(=O)[C@@H]2COCC[NH2+]2)CC[NH2+]C1 ZINC001220523579 780360203 /nfs/dbraw/zinc/36/02/03/780360203.db2.gz RTJZYMMFIVWLJE-NSHDSACASA-N 2 1 283.328 -1.099 20 0 CAADMP O=C(NCC[NH+]1CC2(COC2)C1)[C@H]1C[NH2+]C[C@@H]1O ZINC001220570792 780364469 /nfs/dbraw/zinc/36/44/69/780364469.db2.gz AIHJQGKMVKYCKE-UWVGGRQHSA-N 2 1 255.318 -1.985 20 0 CAADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](CCCO)C[C@@H]1O ZINC001220584975 780368346 /nfs/dbraw/zinc/36/83/46/780368346.db2.gz RFCFCGVCOPDLER-NEPJUHHUSA-N 2 1 273.377 -1.128 20 0 CAADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001220584765 780368399 /nfs/dbraw/zinc/36/83/99/780368399.db2.gz IVAJCFIBIDTVOF-MNOVXSKESA-N 2 1 259.350 -1.518 20 0 CAADMP COC(=O)[C@@H](NC(=O)[C@@H]([NH3+])CC[NH3+])C(F)(F)F ZINC001220588047 780370114 /nfs/dbraw/zinc/37/01/14/780370114.db2.gz OWDKLPCRIRYEOK-CRCLSJGQSA-N 2 1 257.212 -1.117 20 0 CAADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@H](C)O)C[C@@H]1O ZINC001220688549 780373715 /nfs/dbraw/zinc/37/37/15/780373715.db2.gz JTSLWWLBVPYMQU-TUAOUCFPSA-N 2 1 273.377 -1.130 20 0 CAADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](C[C@H](C)O)C[C@@H]1O ZINC001220688549 780373722 /nfs/dbraw/zinc/37/37/22/780373722.db2.gz JTSLWWLBVPYMQU-TUAOUCFPSA-N 2 1 273.377 -1.130 20 0 CAADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](C[C@H](C)O)C[C@@H]1O ZINC001220688549 780373729 /nfs/dbraw/zinc/37/37/29/780373729.db2.gz JTSLWWLBVPYMQU-TUAOUCFPSA-N 2 1 273.377 -1.130 20 0 CAADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@@H](C)O)C[C@@H]1O ZINC001220688550 780373840 /nfs/dbraw/zinc/37/38/40/780373840.db2.gz JTSLWWLBVPYMQU-UTUOFQBUSA-N 2 1 273.377 -1.130 20 0 CAADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](C[C@@H](C)O)C[C@@H]1O ZINC001220688550 780373846 /nfs/dbraw/zinc/37/38/46/780373846.db2.gz JTSLWWLBVPYMQU-UTUOFQBUSA-N 2 1 273.377 -1.130 20 0 CAADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](C[C@@H](C)O)C[C@@H]1O ZINC001220688550 780373851 /nfs/dbraw/zinc/37/38/51/780373851.db2.gz JTSLWWLBVPYMQU-UTUOFQBUSA-N 2 1 273.377 -1.130 20 0 CAADMP NC(=O)c1ccccc1OCCNC(=O)[C@@H]([NH3+])CC[NH3+] ZINC001220719043 780377084 /nfs/dbraw/zinc/37/70/84/780377084.db2.gz PTUKARQATQILAR-JTQLQIEISA-N 2 1 280.328 -1.043 20 0 CAADMP [NH3+]CC[C@H]([NH3+])C(=O)NCCCN1CCS(=O)(=O)CC1 ZINC001220756842 780378767 /nfs/dbraw/zinc/37/87/67/780378767.db2.gz LPIMJJBTDVDWMQ-JTQLQIEISA-N 2 1 292.405 -2.101 20 0 CAADMP COC(=O)[C@@H](Cc1cncn1C)NC(=O)[C@@H]([NH3+])CC[NH3+] ZINC001220772117 780379788 /nfs/dbraw/zinc/37/97/88/780379788.db2.gz JLDHDYSDFVRJKX-VHSXEESVSA-N 2 1 283.332 -1.704 20 0 CAADMP COCC[N@@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001220764541 780379979 /nfs/dbraw/zinc/37/99/79/780379979.db2.gz OFSIYRVJCHLRSZ-NEPJUHHUSA-N 2 1 289.376 -1.628 20 0 CAADMP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@@H+](CCCO)C[C@@H]1O ZINC001220764795 780380453 /nfs/dbraw/zinc/38/04/53/780380453.db2.gz WRCHIMTWEUMPHT-NEPJUHHUSA-N 2 1 289.376 -1.892 20 0 CAADMP CCOC(=O)C1=C(NC(=O)[C@@H]2COCC[NH2+]2)C[NH2+]C1 ZINC001220828819 780384246 /nfs/dbraw/zinc/38/42/46/780384246.db2.gz UPWOMTTUJKQJGC-JTQLQIEISA-N 2 1 269.301 -1.489 20 0 CAADMP CCOC(=O)C1=C(NC(=O)[C@@H]([NH3+])CC[NH3+])C[NH2+]C1 ZINC001220827914 780384868 /nfs/dbraw/zinc/38/48/68/780384868.db2.gz CNBCQZDYHJRKLW-QMMMGPOBSA-N 3 1 256.306 -1.801 20 0 CAADMP CCOC(=O)C1=C(NC(=O)C2([NH3+])COC2)C[NH2+]C1 ZINC001220827856 780385001 /nfs/dbraw/zinc/38/50/01/780385001.db2.gz AJBRLPFZUJSPGG-UHFFFAOYSA-N 2 1 255.274 -1.749 20 0 CAADMP CCOC(=O)C1(NC(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)CNC1 ZINC001220851065 780386657 /nfs/dbraw/zinc/38/66/57/780386657.db2.gz GATHLFCQZMQQRZ-VIFPVBQESA-N 2 1 282.344 -2.183 20 0 CAADMP C[C@H]1[NH2+]CCC[C@@H]1C(=O)NCCN1CC[NH2+]CC1=O ZINC001220871922 780387428 /nfs/dbraw/zinc/38/74/28/780387428.db2.gz CTQORKCLVXVPSL-MNOVXSKESA-N 2 1 268.361 -1.078 20 0 CAADMP C[C@H]1[NH2+]CCC[C@H]1C(=O)NCCN1CC[NH2+]CC1=O ZINC001220871921 780387537 /nfs/dbraw/zinc/38/75/37/780387537.db2.gz CTQORKCLVXVPSL-GHMZBOCLSA-N 2 1 268.361 -1.078 20 0 CAADMP C[NH2+][C@@H](CCCC[NH3+])C(=O)NCCN1CC[NH2+]CC1=O ZINC001220871880 780388491 /nfs/dbraw/zinc/38/84/91/780388491.db2.gz BDIKORYDEAJMML-NSHDSACASA-N 3 1 285.392 -1.749 20 0 CAADMP C[C@@H]1CCC[NH2+][C@@H]1C(=O)NCCN1CC[NH2+]CC1=O ZINC001220872008 780389275 /nfs/dbraw/zinc/38/92/75/780389275.db2.gz GTFXYGPOWGNGFH-PWSUYJOCSA-N 2 1 268.361 -1.078 20 0 CAADMP CCOC(=O)C1(NC(=O)[C@@H]([NH3+])CCC[NH3+])CNC1 ZINC001220851467 780389435 /nfs/dbraw/zinc/38/94/35/780389435.db2.gz XBESAKLGHCFTQG-QMMMGPOBSA-N 2 1 258.322 -1.926 20 0 CAADMP O=C(NCCN1CC[NH2+]CC1=O)[C@@H]1C[C@@H]2CC[NH2+]C[C@H]2O1 ZINC001220872246 780389971 /nfs/dbraw/zinc/38/99/71/780389971.db2.gz QIMMYQQDDKLRFE-SDDRHHMPSA-N 2 1 296.371 -1.699 20 0 CAADMP [NH3+]CC(=O)N1CCC[C@H]1C(=O)NCCN1CC[NH2+]CC1=O ZINC001220874364 780390096 /nfs/dbraw/zinc/39/00/96/780390096.db2.gz GVWNAQMQXNRHKG-JTQLQIEISA-N 2 1 297.359 -2.516 20 0 CAADMP Cn1cncc1C[C@H]([NH3+])C(=O)NCCN1CC[NH2+]CC1=O ZINC001220872509 780390175 /nfs/dbraw/zinc/39/01/75/780390175.db2.gz XDAJGNJZLCNZNJ-NSHDSACASA-N 2 1 294.359 -2.162 20 0 CAADMP O=C(NCCN1CC[NH2+]CC1=O)[C@H]1[NH2+]CC[C@@H]1O ZINC001220874407 780390308 /nfs/dbraw/zinc/39/03/08/780390308.db2.gz IRKOZBCNVXBRCF-WPRPVWTQSA-N 2 1 256.306 -2.743 20 0 CAADMP [NH3+][C@@H](CC(F)F)C(=O)NCCN1CC[NH2+]CC1=O ZINC001220874214 780390451 /nfs/dbraw/zinc/39/04/51/780390451.db2.gz FAZJQPUTIFPHDN-ZETCQYMHSA-N 2 1 264.276 -1.483 20 0 CAADMP [NH3+]CCSC[C@H]([NH3+])C(=O)NCCN1CC[NH2+]CC1=O ZINC001220875126 780390481 /nfs/dbraw/zinc/39/04/81/780390481.db2.gz UEECBHUHEQWAIS-VIFPVBQESA-N 3 1 289.405 -2.446 20 0 CAADMP O=C(NCCN1CC[NH2+]CC1=O)[C@]12C[NH2+]C[C@H]1CCN2 ZINC001220872506 780391348 /nfs/dbraw/zinc/39/13/48/780391348.db2.gz XAXUNRQZOGABRJ-MFKMUULPSA-N 2 1 281.360 -2.514 20 0 CAADMP O=C(NCCN1CC[NH2+]CC1=O)C1CC2(C[NH2+]C2)C1 ZINC001220874362 780391421 /nfs/dbraw/zinc/39/14/21/780391421.db2.gz GVPWBPXNDZXZDP-UHFFFAOYSA-N 2 1 266.345 -1.466 20 0 CAADMP N[C@]1(C(=O)NCCN2CC[NH2+]CC2=O)CCC[NH2+]C1 ZINC001220874647 780391549 /nfs/dbraw/zinc/39/15/49/780391549.db2.gz KDPNKCLXUREJID-GFCCVEGCSA-N 2 1 269.349 -2.385 20 0 CAADMP O=C(NCCN1CC[NH2+]CC1=O)[C@H]1C[NH2+]CCN1 ZINC001220875139 780391623 /nfs/dbraw/zinc/39/16/23/780391623.db2.gz UODYBEGCFTWSNS-SECBINFHSA-N 2 1 255.322 -2.904 20 0 CAADMP [NH3+]CC[C@H]([NH3+])C(=O)NCCOCCN1C(=O)C=CC1=O ZINC001220878565 780391703 /nfs/dbraw/zinc/39/17/03/780391703.db2.gz HXDDUQIJOKNZJL-VIFPVBQESA-N 2 1 284.316 -2.280 20 0 CAADMP O=C(CC1CC[NH2+]CC1)NCCN1CC[NH2+]CC1=O ZINC001220872476 780391745 /nfs/dbraw/zinc/39/17/45/780391745.db2.gz WKINOOOKVCFNBO-UHFFFAOYSA-N 2 1 268.361 -1.076 20 0 CAADMP N[C@H](CN1CCC([NH3+])CC1)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC001220889251 780394658 /nfs/dbraw/zinc/39/46/58/780394658.db2.gz GQXBGKZXFBUCBE-VXGBXAGGSA-N 2 1 269.393 -1.395 20 0 CAADMP N[C@H](CN1CCC([NH3+])CC1)C(=O)NCCO[C@H]1CC[NH2+]C1 ZINC001220936534 780395602 /nfs/dbraw/zinc/39/56/02/780395602.db2.gz GUZDFJHNWUJOBR-QWHCGFSZSA-N 2 1 299.419 -1.769 20 0 CAADMP N[C@@H](CN1CCC([NH3+])CC1)C(=O)NCCO[C@@H]1CC[NH2+]C1 ZINC001220936533 780396023 /nfs/dbraw/zinc/39/60/23/780396023.db2.gz GUZDFJHNWUJOBR-OLZOCXBDSA-N 2 1 299.419 -1.769 20 0 CAADMP N[C@H](CN1CCC([NH3+])CC1)C(=O)NCCO[C@@H]1CC[NH2+]C1 ZINC001220936532 780396313 /nfs/dbraw/zinc/39/63/13/780396313.db2.gz GUZDFJHNWUJOBR-CHWSQXEVSA-N 2 1 299.419 -1.769 20 0 CAADMP N[C@@H](CN1CCC([NH3+])CC1)C(=O)NCCO[C@H]1CC[NH2+]C1 ZINC001220936535 780396397 /nfs/dbraw/zinc/39/63/97/780396397.db2.gz GUZDFJHNWUJOBR-STQMWFEESA-N 2 1 299.419 -1.769 20 0 CAADMP O=C(C[NH2+]C1CC[NH2+]CC1)NCCO[C@@H]1CC[NH2+]C1 ZINC001220937289 780396482 /nfs/dbraw/zinc/39/64/82/780396482.db2.gz NUSQHLCBOQYONR-GFCCVEGCSA-N 3 1 270.377 -1.177 20 0 CAADMP N=c1ncc(C[NH3+])cn1C(=O)[C@H](N)C1CC[NH2+]CC1 ZINC001220950944 780398088 /nfs/dbraw/zinc/39/80/88/780398088.db2.gz LHZGUGKEYVUVKH-SNVBAGLBSA-N 2 1 264.333 -1.212 20 0 CAADMP [NH3+][C@H](Cc1c[nH]cn1)C(=O)NCCO[C@@H]1CC[NH2+]C1 ZINC001220937409 780398340 /nfs/dbraw/zinc/39/83/40/780398340.db2.gz QUQBBOXLRFWQMG-GHMZBOCLSA-N 2 1 267.333 -1.226 20 0 CAADMP CC(=O)OC[C@H]([NH3+])C(=O)n1cc(C[NH3+])cnc1=N ZINC001220951241 780398586 /nfs/dbraw/zinc/39/85/86/780398586.db2.gz UQQYUMXJWOTSFO-QMMMGPOBSA-N 2 1 253.262 -1.648 20 0 CAADMP N=c1ncc(C[NH3+])cn1C(=O)[C@@H](N)CCCC[NH3+] ZINC001220950655 780398627 /nfs/dbraw/zinc/39/86/27/780398627.db2.gz BAXRBQUYRPYKDZ-VIFPVBQESA-N 2 1 252.322 -1.082 20 0 CAADMP [NH3+][C@@H](Cc1c[nH]cn1)C(=O)NCCO[C@@H]1CC[NH2+]C1 ZINC001220937410 780398898 /nfs/dbraw/zinc/39/88/98/780398898.db2.gz QUQBBOXLRFWQMG-MNOVXSKESA-N 2 1 267.333 -1.226 20 0 CAADMP COC(=O)[C@@H]([NH3+])CCC(=O)NCCO[C@@H]1CC[NH2+]C1 ZINC001220937490 780399403 /nfs/dbraw/zinc/39/94/03/780399403.db2.gz STVLSVLTMPKFHE-ZJUUUORDSA-N 2 1 273.333 -1.238 20 0 CAADMP COC(=O)[C@@H]([NH3+])CCC(=O)n1cc(C[NH3+])cnc1=N ZINC001220951304 780399451 /nfs/dbraw/zinc/39/94/51/780399451.db2.gz XDDAGRXOQNFYRN-QMMMGPOBSA-N 2 1 267.289 -1.258 20 0 CAADMP [NH3+][C@H](Cc1c[nH]cn1)C(=O)NCCO[C@H]1CC[NH2+]C1 ZINC001220937412 780399797 /nfs/dbraw/zinc/39/97/97/780399797.db2.gz QUQBBOXLRFWQMG-WDEREUQCSA-N 2 1 267.333 -1.226 20 0 CAADMP C[N@H+]1CCC[C@](C)(NC(=O)[C@H]2COC3(C[NH2+]C3)CN2)C1 ZINC001221240828 780407078 /nfs/dbraw/zinc/40/70/78/780407078.db2.gz DKEPLOZLWJQYFZ-YPMHNXCESA-N 2 1 282.388 -1.083 20 0 CAADMP [NH3+][C@@H](CC(F)F)C(=O)N1CN[C@@H]([NH3+])[C@@H]2NCN[C@@H]21 ZINC001221266121 780408130 /nfs/dbraw/zinc/40/81/30/780408130.db2.gz SJYXYFIDWVPIPE-ZAKLUEHWSA-N 2 1 264.280 -2.512 20 0 CAADMP C[N@H+]1CC[C@@H](CNC(=O)[C@H]2COC3(C[NH2+]C3)CN2)C1 ZINC001221254152 780408239 /nfs/dbraw/zinc/40/82/39/780408239.db2.gz GXZHGFKQZRPSLM-WDEREUQCSA-N 2 1 268.361 -1.615 20 0 CAADMP C[C@@]1([NH3+])C[C@H](NC(=O)[C@@H](N)CN2CCC([NH3+])CC2)C1 ZINC001221241138 780408289 /nfs/dbraw/zinc/40/82/89/780408289.db2.gz OWXJWNQZOZVUJC-GMXVVIOVSA-N 2 1 269.393 -1.267 20 0 CAADMP CC(=O)OCN1CCC(NC(=O)[C@@H]([NH3+])CC[NH3+])CC1 ZINC001221258595 780408550 /nfs/dbraw/zinc/40/85/50/780408550.db2.gz KSMPEIKMNFAMQF-NSHDSACASA-N 2 1 272.349 -1.236 20 0 CAADMP C[N@H+]1CC[C@@H](CNC(=O)[C@@H]2COC3(C[NH2+]C3)CN2)C1 ZINC001221254151 780408636 /nfs/dbraw/zinc/40/86/36/780408636.db2.gz GXZHGFKQZRPSLM-QWRGUYRKSA-N 2 1 268.361 -1.615 20 0 CAADMP CC(C)[C@]1(C(=O)N2CN[C@H]([NH3+])[C@H]3NCN[C@@H]32)CCC[NH2+]C1 ZINC001221266582 780411125 /nfs/dbraw/zinc/41/11/25/780411125.db2.gz XMBALPAYNZUMEM-CZXHOFHRSA-N 2 1 296.419 -1.469 20 0 CAADMP [NH3+][C@@H]1NCN(C(=O)C[C@@H]2CCC[NH2+]C2)[C@H]2NCN[C@H]21 ZINC001221265918 780411202 /nfs/dbraw/zinc/41/12/02/780411202.db2.gz QKBULJFRUWJCBQ-OHBODLIOSA-N 2 1 268.365 -2.105 20 0 CAADMP [NH3+][C@@H]1CCC[C@H]1C(=O)N1CN[C@@H]([NH3+])[C@@H]2NCN[C@@H]21 ZINC001221265330 780411269 /nfs/dbraw/zinc/41/12/69/780411269.db2.gz KGEKGGQHMHFDKT-HOTMZDKISA-N 2 1 254.338 -2.367 20 0 CAADMP CC(C)(C)[C@H]([NH3+])CC(=O)N1CN[C@H]([NH3+])[C@H]2NCN[C@H]21 ZINC001221265357 780411414 /nfs/dbraw/zinc/41/14/14/780411414.db2.gz KMYSHBZHCVFARV-SNXWAXQRSA-N 2 1 270.381 -1.731 20 0 CAADMP [NH3+][C@@H]1NCN(C(=O)[C@@H]2CC[NH2+]C[C@@H]2F)[C@@H]2NCN[C@@H]21 ZINC001221265325 780411463 /nfs/dbraw/zinc/41/14/63/780411463.db2.gz KDGRUPYTCOLCTM-ZOZBQHSOSA-N 2 1 272.328 -2.547 20 0 CAADMP [NH3+][C@@H]1NCN(C(=O)[C@@H]2C[C@@H]3CC[NH2+]C[C@H]3O2)[C@H]2NCN[C@H]21 ZINC001221265818 780411494 /nfs/dbraw/zinc/41/14/94/780411494.db2.gz PVARLEFXHHDMDE-NEJQNHLGSA-N 2 1 296.375 -2.728 20 0 CAADMP C[C@]1(C(=O)N2CN[C@H]([NH3+])[C@H]3NCN[C@@H]32)CC[NH2+]C1 ZINC001221266055 780411651 /nfs/dbraw/zinc/41/16/51/780411651.db2.gz RXTURKYXXSTPCU-LOKLDPHHSA-N 2 1 254.338 -2.495 20 0 CAADMP [NH3+][C@@H]1NCN(C(=O)[C@@H]2C[C@@H](F)CC[NH2+]2)[C@H]2NCN[C@@H]21 ZINC001221265328 780411657 /nfs/dbraw/zinc/41/16/57/780411657.db2.gz KFBXJJVBMHOGLQ-SRQGCSHVSA-N 2 1 272.328 -2.404 20 0 CAADMP C[C@]1(C(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@H]32)CC[NH2+]C1 ZINC001221266054 780411681 /nfs/dbraw/zinc/41/16/81/780411681.db2.gz RXTURKYXXSTPCU-KBIXCLLPSA-N 2 1 254.338 -2.495 20 0 CAADMP [NH3+][C@@H]1NCN(C(=O)[C@@H]2CCCC[NH2+]2)[C@@H]2NCN[C@H]21 ZINC001221267059 780411689 /nfs/dbraw/zinc/41/16/89/780411689.db2.gz ZXOYDIHTLVATKB-QEYWKRMJSA-N 2 1 254.338 -2.352 20 0 CAADMP [NH3+][C@@H]1NCN(C(=O)[C@@H]2CCCC[NH2+]2)[C@H]2NCN[C@@H]21 ZINC001221267060 780411732 /nfs/dbraw/zinc/41/17/32/780411732.db2.gz ZXOYDIHTLVATKB-SGIHWFKDSA-N 2 1 254.338 -2.352 20 0 CAADMP [NH3+]CCCCCCCC(=O)N1CN[C@H]([NH3+])[C@@H]2NCN[C@H]21 ZINC001221265563 780411753 /nfs/dbraw/zinc/41/17/53/780411753.db2.gz MLEFVEOVNYMWRR-AVGNSLFASA-N 2 1 284.408 -1.195 20 0 CAADMP [NH3+][C@@H]1NCN(C(=O)[C@@H]2C[C@@H]3CC[NH2+]C[C@H]3O2)[C@@H]2NCN[C@H]21 ZINC001221265821 780411814 /nfs/dbraw/zinc/41/18/14/780411814.db2.gz PVARLEFXHHDMDE-ZXZMWMBJSA-N 2 1 296.375 -2.728 20 0 CAADMP CC(C)[C@]1(C(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@H]32)CCC[NH2+]C1 ZINC001221266589 780411829 /nfs/dbraw/zinc/41/18/29/780411829.db2.gz XMBALPAYNZUMEM-MNXVOIDGSA-N 2 1 296.419 -1.469 20 0 CAADMP [NH3+][C@@H]1NCN(C(=O)[C@@H]2CC[NH2+]C[C@@H]2F)[C@@H]2NCN[C@H]21 ZINC001221265323 780411852 /nfs/dbraw/zinc/41/18/52/780411852.db2.gz KDGRUPYTCOLCTM-KBDSZGMXSA-N 2 1 272.328 -2.547 20 0 CAADMP C[N@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)CNC(=O)C[NH3+] ZINC000720880588 780431969 /nfs/dbraw/zinc/43/19/69/780431969.db2.gz PGZVWDSBBQGWPV-UWVGGRQHSA-N 2 1 254.334 -1.244 20 0 CAADMP CN1CCN(C(=O)CN2C[C@@H]3C[N@@H+](C)C[C@H](C2)O3)CC1 ZINC001277632539 780470574 /nfs/dbraw/zinc/47/05/74/780470574.db2.gz WMTCUKVFMWJFIC-BETUJISGSA-N 2 1 282.388 -1.225 20 0 CAADMP Cn1cc(CN2CC[NH2+]C[C@]23CC[NH2+]C3)c(=O)n(C)c1=O ZINC001234987594 780489501 /nfs/dbraw/zinc/48/95/01/780489501.db2.gz HPAGCLRYQSGZRV-CQSZACIVSA-N 2 1 293.371 -1.779 20 0 CAADMP c1ncc(CN2CC[NH2+]CCNCC[NH2+]CC2)[nH]1 ZINC001235868156 780494449 /nfs/dbraw/zinc/49/44/49/780494449.db2.gz BJXLHYYJQNUJKO-UHFFFAOYSA-N 2 1 252.366 -1.006 20 0 CAADMP c1nnc(CN2CC[NH2+]CCNCC[NH2+]CC2)[nH]1 ZINC001235874159 780495221 /nfs/dbraw/zinc/49/52/21/780495221.db2.gz LTDXNQSWDQNCGD-UHFFFAOYSA-N 2 1 253.354 -1.611 20 0 CAADMP Nc1[nH]cc(CN2CC[NH2+]CCNCC[NH2+]CC2)[nH+]1 ZINC001235875112 780495771 /nfs/dbraw/zinc/49/57/71/780495771.db2.gz OYELCXRALRMKEF-UHFFFAOYSA-N 3 1 267.381 -1.424 20 0 CAADMP Nc1[nH]cc(CN(CCC[NH3+])CC(=O)NCCC[NH3+])[nH+]1 ZINC001236318066 780496461 /nfs/dbraw/zinc/49/64/61/780496461.db2.gz ZNJPFHOMMCLMSW-UHFFFAOYSA-N 3 1 283.380 -1.392 20 0 CAADMP [NH3+]CCCNC(=O)C[N@H+](CCC[NH3+])CCC1C[NH2+]C1 ZINC001236310108 780496565 /nfs/dbraw/zinc/49/65/65/780496565.db2.gz UXGVNFPAKLUVPA-UHFFFAOYSA-N 4 1 271.409 -1.288 20 0 CAADMP [NH3+]CCCNC(=O)C[N@@H+](CCC[NH3+])CCC1C[NH2+]C1 ZINC001236310108 780496571 /nfs/dbraw/zinc/49/65/71/780496571.db2.gz UXGVNFPAKLUVPA-UHFFFAOYSA-N 4 1 271.409 -1.288 20 0 CAADMP [NH3+]CCCNC(=O)C[N@H+](CCC[NH3+])C[C@H]1[C@@H]2C[NH2+]C[C@H]12 ZINC001236310302 780496745 /nfs/dbraw/zinc/49/67/45/780496745.db2.gz WPUSPZDHGMCOSW-ITGUQSILSA-N 4 1 283.420 -1.432 20 0 CAADMP [NH3+]CCCNC(=O)C[N@@H+](CCC[NH3+])C[C@H]1[C@@H]2C[NH2+]C[C@H]12 ZINC001236310302 780496748 /nfs/dbraw/zinc/49/67/48/780496748.db2.gz WPUSPZDHGMCOSW-ITGUQSILSA-N 4 1 283.420 -1.432 20 0 CAADMP COC(=O)[C@@H]1C[N@H+](CC[C@@H]2C[NH2+]CCO2)C[C@@H]1N ZINC001236346139 780496896 /nfs/dbraw/zinc/49/68/96/780496896.db2.gz WWHXLAKDUKVXPX-MXWKQRLJSA-N 2 1 257.334 -1.203 20 0 CAADMP COC(=O)[C@@H]1C[N@@H+](CC[C@@H]2C[NH2+]CCO2)C[C@@H]1N ZINC001236346139 780496901 /nfs/dbraw/zinc/49/69/01/780496901.db2.gz WWHXLAKDUKVXPX-MXWKQRLJSA-N 2 1 257.334 -1.203 20 0 CAADMP COC(=O)[C@@H]1CN(Cc2cn3c(n2)C[NH2+]CC3)C[C@H]1[NH3+] ZINC001236338919 780497016 /nfs/dbraw/zinc/49/70/16/780497016.db2.gz CGXIHVOALSHYBO-GHMZBOCLSA-N 2 1 279.344 -1.082 20 0 CAADMP CNC(=O)C[NH+]1CCC2(CC1)NC(=O)[C@H]1C[N@H+](C)C[C@@H]12 ZINC001278010854 780497914 /nfs/dbraw/zinc/49/79/14/780497914.db2.gz AFNJGGCLYPCXSO-QWRGUYRKSA-N 2 1 280.372 -1.125 20 0 CAADMP CNC(=O)C[NH+]1CCC2(CC1)NC(=O)[C@H]1C[N@@H+](C)C[C@@H]12 ZINC001278010854 780497919 /nfs/dbraw/zinc/49/79/19/780497919.db2.gz AFNJGGCLYPCXSO-QWRGUYRKSA-N 2 1 280.372 -1.125 20 0 CAADMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](CO)[NH2+]CCCO ZINC001278054828 780502069 /nfs/dbraw/zinc/50/20/69/780502069.db2.gz WUOOKRVPAPDUKX-WDEREUQCSA-N 2 1 259.350 -1.470 20 0 CAADMP CC(C)[NH2+][C@@H](CO)CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001278061347 780502202 /nfs/dbraw/zinc/50/22/02/780502202.db2.gz KODFYGGJZPLWSY-MNOVXSKESA-N 2 1 259.350 -1.208 20 0 CAADMP CC(C)[NH2+][C@@H](CO)CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001278061347 780502204 /nfs/dbraw/zinc/50/22/04/780502204.db2.gz KODFYGGJZPLWSY-MNOVXSKESA-N 2 1 259.350 -1.208 20 0 CAADMP CC[N@@H+]1CCO[C@H](C(=O)NC[C@@H](CO)[NH2+]CCCO)C1 ZINC001278201724 780514350 /nfs/dbraw/zinc/51/43/50/780514350.db2.gz JMFZMCCGKZSZFF-RYUDHWBXSA-N 2 1 289.376 -1.844 20 0 CAADMP CC[N@H+]1CCO[C@H](C(=O)NC[C@@H](CO)[NH2+]CCCO)C1 ZINC001278201724 780514358 /nfs/dbraw/zinc/51/43/58/780514358.db2.gz JMFZMCCGKZSZFF-RYUDHWBXSA-N 2 1 289.376 -1.844 20 0 CAADMP CC[N@@H+]1CCO[C@H](C(=O)NC[C@H](CO)[NH2+]CCCO)C1 ZINC001278201721 780514427 /nfs/dbraw/zinc/51/44/27/780514427.db2.gz JMFZMCCGKZSZFF-NEPJUHHUSA-N 2 1 289.376 -1.844 20 0 CAADMP CC[N@H+]1CCO[C@H](C(=O)NC[C@H](CO)[NH2+]CCCO)C1 ZINC001278201721 780514437 /nfs/dbraw/zinc/51/44/37/780514437.db2.gz JMFZMCCGKZSZFF-NEPJUHHUSA-N 2 1 289.376 -1.844 20 0 CAADMP COC(=O)[C@@H]([NH3+])CCNS(=O)(=O)CC1CC[NH2+]CC1 ZINC001238733639 780522611 /nfs/dbraw/zinc/52/26/11/780522611.db2.gz IFCYNYQVVVQIRJ-JTQLQIEISA-N 2 1 293.389 -1.204 20 0 CAADMP CC(C)(C)OC(=O)[C@@H]([NH3+])CCNS(=O)(=O)CC[NH3+] ZINC001238828837 780523487 /nfs/dbraw/zinc/52/34/87/780523487.db2.gz UYRPILVGBVEPKW-QMMMGPOBSA-N 2 1 281.378 -1.076 20 0 CAADMP COC(=O)C1([NH3+])CCN(S(=O)(=O)CC[NH3+])CC1 ZINC001239092142 780529880 /nfs/dbraw/zinc/52/98/80/780529880.db2.gz WJOXGBKAUBJVDX-UHFFFAOYSA-N 2 1 265.335 -1.759 20 0 CAADMP COC(=O)[C@@H]([NH3+])C1CCN(S(=O)(=O)CC[NH3+])CC1 ZINC001239112372 780531995 /nfs/dbraw/zinc/53/19/95/780531995.db2.gz QYZLUISJXNQYHU-VIFPVBQESA-N 2 1 279.362 -1.513 20 0 CAADMP CC(C)(C)OC(=O)[C@H](O)C[N@@H+]1C[C@H](O)[C@@H](C[NH3+])C1 ZINC001246020668 780539031 /nfs/dbraw/zinc/53/90/31/780539031.db2.gz JQLDKOLLJJPWFK-LPEHRKFASA-N 2 1 260.334 -1.060 20 0 CAADMP CC(C)(C)OC(=O)[C@H](O)C[N@H+]1C[C@H](O)[C@@H](C[NH3+])C1 ZINC001246020668 780539040 /nfs/dbraw/zinc/53/90/40/780539040.db2.gz JQLDKOLLJJPWFK-LPEHRKFASA-N 2 1 260.334 -1.060 20 0 CAADMP O=C1CC[NH2+]C[C@H]1NC[C@H](O)CC1(O)CC[NH2+]CC1 ZINC001245993928 780539113 /nfs/dbraw/zinc/53/91/13/780539113.db2.gz JFGAVIUWYKVGRE-GHMZBOCLSA-N 2 1 271.361 -1.628 20 0 CAADMP O=C1CCNC[C@H]1[NH2+]C[C@H](O)CC1(O)CC[NH2+]CC1 ZINC001245993928 780539118 /nfs/dbraw/zinc/53/91/18/780539118.db2.gz JFGAVIUWYKVGRE-GHMZBOCLSA-N 2 1 271.361 -1.628 20 0 CAADMP CNC(=O)[C@H](CCCC[NH3+])[NH2+]C[C@@]1(O)CCC[NH2+]C1 ZINC001246019220 780539343 /nfs/dbraw/zinc/53/93/43/780539343.db2.gz JQYLPRDXPRGCQC-WCQYABFASA-N 3 1 272.393 -1.066 20 0 CAADMP CCOC(=O)C1=C(NC[C@@H](O)C[NH+]2CCOCC2)C[NH2+]C1 ZINC001246010345 780539362 /nfs/dbraw/zinc/53/93/62/780539362.db2.gz LTODDWQAQPECOU-LLVKDONJSA-N 2 1 299.371 -1.311 20 0 CAADMP COC(=O)[C@@H](O)C[NH2+]C[C@H]1CCC2(CC[NH2+]CC2)N1 ZINC001245984752 780539380 /nfs/dbraw/zinc/53/93/80/780539380.db2.gz JVBVWWRCRJHHEI-MNOVXSKESA-N 2 1 271.361 -1.016 20 0 CAADMP COC(=O)[C@H](CCC[NH3+])NC[C@H](O)C[NH+]1CCOCC1 ZINC001246010003 780539413 /nfs/dbraw/zinc/53/94/13/780539413.db2.gz VSHOBFAVLFXLSN-RYUDHWBXSA-N 2 1 289.376 -1.450 20 0 CAADMP CCOC(=O)C1=C(NC[C@H](O)C[NH+]2CCOCC2)C[NH2+]C1 ZINC001246010359 780539635 /nfs/dbraw/zinc/53/96/35/780539635.db2.gz LTODDWQAQPECOU-NSHDSACASA-N 2 1 299.371 -1.311 20 0 CAADMP CNC(=O)[C@H](CCCC[NH3+])[NH2+]C[C@]1(O)CCC[NH2+]C1 ZINC001246019191 780539949 /nfs/dbraw/zinc/53/99/49/780539949.db2.gz JQYLPRDXPRGCQC-AAEUAGOBSA-N 3 1 272.393 -1.066 20 0 CAADMP [NH3+]C[C@H]1C[N@@H+](C[C@H](O)CN2CCOCC2)C[C@@H]1O ZINC001246025972 780540642 /nfs/dbraw/zinc/54/06/42/780540642.db2.gz YNKZSTSLJHANPK-TUAOUCFPSA-N 2 1 259.350 -2.069 20 0 CAADMP O[C@@H](CN1CCOCC1)CN1CC[NH2+]C[C@@]12CC[NH2+]C2 ZINC001246027526 780540821 /nfs/dbraw/zinc/54/08/21/780540821.db2.gz KURPWDFANYQFSS-KBPBESRZSA-N 2 1 284.404 -1.683 20 0 CAADMP O[C@H](CN1CC[NH2+]C[C@]12CC[NH2+]C2)CC1(O)CC[NH2+]CC1 ZINC001246024303 780541060 /nfs/dbraw/zinc/54/10/60/780541060.db2.gz DZROGQPBMVYMKV-UONOGXRCSA-N 3 1 298.431 -1.511 20 0 CAADMP [NH3+]C[C@]1(O)CCCC[N@@H+](C[C@H](O)CN2CCOCC2)C1 ZINC001246022425 780541118 /nfs/dbraw/zinc/54/11/18/780541118.db2.gz NUWHUEKWCXHDEH-ZIAGYGMSSA-N 2 1 287.404 -1.145 20 0 CAADMP O[C@@H](CN1CCOCC1)C[N@H+]1CCNC2(CC[NH2+]CC2)C1 ZINC001246029966 780541256 /nfs/dbraw/zinc/54/12/56/780541256.db2.gz NPOJNHZSSIPIBG-AWEZNQCLSA-N 2 1 298.431 -1.293 20 0 CAADMP [NH3+]C[C@H]1C[N@@H+](C[C@@H](O)CN2CCOCC2)C[C@@H]1O ZINC001246025970 780541385 /nfs/dbraw/zinc/54/13/85/780541385.db2.gz YNKZSTSLJHANPK-SRVKXCTJSA-N 2 1 259.350 -2.069 20 0 CAADMP COC(=O)[C@@H](O)CN1CC[NH2+][C@H]2CC[NH2+]CC[C@@H]21 ZINC001246026841 780541454 /nfs/dbraw/zinc/54/14/54/780541454.db2.gz VDMNUQWRCUGRMV-DCAQKATOSA-N 2 1 257.334 -1.454 20 0 CAADMP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1C[N@@H+](C[C@H](O)CO)C[C@H]1C2 ZINC001246045445 780541471 /nfs/dbraw/zinc/54/14/71/780541471.db2.gz KIKUCFLAIFKNMX-LARJDALCSA-N 2 1 284.356 -1.330 20 0 CAADMP O[C@]1(CN2CC[NH2+][C@H]3CC[NH2+]CC[C@@H]32)CC[NH2+]C1 ZINC001246022390 780541490 /nfs/dbraw/zinc/54/14/90/780541490.db2.gz JPQCWXLXJDXRHE-RWMBFGLXSA-N 3 1 254.378 -1.263 20 0 CAADMP COC(=O)[C@H](O)C[N@H+]1CCNC2(CC[NH2+]CC2)C1 ZINC001246033374 780541570 /nfs/dbraw/zinc/54/15/70/780541570.db2.gz VGLNKCJZGBECFD-SNVBAGLBSA-N 2 1 257.334 -1.452 20 0 CAADMP O[C@@H](CN1CC[NH2+]C[C@@]12CC[NH2+]C2)CC1(O)CC[NH2+]CC1 ZINC001246024301 780541879 /nfs/dbraw/zinc/54/18/79/780541879.db2.gz DZROGQPBMVYMKV-KGLIPLIRSA-N 3 1 298.431 -1.511 20 0 CAADMP C[C@@H]1CC[C@@H](NCCS(=O)(=O)N2CC[NH2+]CC2)C[NH2+]1 ZINC001246099485 780543764 /nfs/dbraw/zinc/54/37/64/780543764.db2.gz HQRJLWCELHDYPZ-VXGBXAGGSA-N 2 1 290.433 -1.049 20 0 CAADMP O=C(CC[NH2+][C@H]1CCNC2(C[NH2+]C2)C1)N1CCNCC1 ZINC001246105399 780543920 /nfs/dbraw/zinc/54/39/20/780543920.db2.gz BGSQCRNTZWHKBR-LBPRGKRZSA-N 2 1 281.404 -1.508 20 0 CAADMP C[C@H]1C[C@H](NCCS(=O)(=O)N2CC[NH2+]CC2)CC[NH2+]1 ZINC001246100782 780544168 /nfs/dbraw/zinc/54/41/68/780544168.db2.gz NTKWLIFOKYHTAY-NWDGAFQWSA-N 2 1 290.433 -1.049 20 0 CAADMP C[C@@H]1C[C@H](NCCS(=O)(=O)N2CC[NH2+]CC2)CC[NH2+]1 ZINC001246100790 780544614 /nfs/dbraw/zinc/54/46/14/780544614.db2.gz NTKWLIFOKYHTAY-VXGBXAGGSA-N 2 1 290.433 -1.049 20 0 CAADMP C([NH2+][C@@H]1CCNC2(C[NH2+]C2)C1)[C@@]12CN[C@@H](CO1)C2 ZINC001246150934 780545507 /nfs/dbraw/zinc/54/55/07/780545507.db2.gz UUUYYEJLHINILV-WZRBSPASSA-N 2 1 252.362 -1.199 20 0 CAADMP COC(=O)[C@@H]1C[C@H]([NH2+]C[C@]23C[NH2+]C[C@H]2COC3)CN1 ZINC001246134024 780545520 /nfs/dbraw/zinc/54/55/20/780545520.db2.gz LPQLULRLVSZGNO-ZPFDUUQYSA-N 2 1 269.345 -1.285 20 0 CAADMP COC(=O)[C@@H]1C[C@H]([NH2+][C@@H]2[C@H]3C[NH2+]C[C@@H]2COC3)CN1 ZINC001246150921 780545674 /nfs/dbraw/zinc/54/56/74/780545674.db2.gz URKIKJGNETXRSC-KZZRWZIVSA-N 2 1 269.345 -1.286 20 0 CAADMP COC(=O)[C@@H]1CC[C@@H]([NH2+][C@H]2CO[C@@H]3C[NH2+]C[C@H]23)CN1 ZINC001246146342 780545937 /nfs/dbraw/zinc/54/59/37/780545937.db2.gz GYRGTWIYKDQJEH-LDMBFOFVSA-N 2 1 269.345 -1.144 20 0 CAADMP C(N[C@H]1CCNC2(C[NH2+]C2)C1)c1nnn2c1C[NH2+]CCC2 ZINC001246133573 780546174 /nfs/dbraw/zinc/54/61/74/780546174.db2.gz OLNGUVVRQSSJCD-NSHDSACASA-N 2 1 291.403 -1.045 20 0 CAADMP COC(=O)[C@@H]1CC[C@H]([NH+]2CCN(CC[NH3+])CC2)CN1 ZINC001246198313 780548366 /nfs/dbraw/zinc/54/83/66/780548366.db2.gz DZDVQHSPEZWVSX-RYUDHWBXSA-N 2 1 270.377 -1.144 20 0 CAADMP C[NH+]1CCN(C(=O)CC[NH2+][C@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246257856 780550038 /nfs/dbraw/zinc/55/00/38/780550038.db2.gz YDZGHFMAVNVXAQ-ZDUSSCGKSA-N 3 1 295.431 -1.166 20 0 CAADMP OCC[C@@]1([NH2+][C@@H]2CCNC3(C[NH2+]C3)C2)CC[NH2+]C1 ZINC001246297980 780551094 /nfs/dbraw/zinc/55/10/94/780551094.db2.gz YNJVYHKTJNWNHE-NEPJUHHUSA-N 3 1 254.378 -1.216 20 0 CAADMP CCOC(=O)[C@@H]1CNC[C@H]1[NH2+][C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246299371 780551141 /nfs/dbraw/zinc/55/11/41/780551141.db2.gz JOHAMTLIYDDHMA-IJLUTSLNSA-N 2 1 282.388 -1.179 20 0 CAADMP COC(=O)[C@@H]1C[C@@H](N2CCN(CCC[NH3+])CC2)C[NH2+]1 ZINC001246265695 780551352 /nfs/dbraw/zinc/55/13/52/780551352.db2.gz PXSYZWFYHAOXEA-NEPJUHHUSA-N 2 1 270.377 -1.144 20 0 CAADMP OCC[C@@]1([NH2+][C@H]2CCNC3(C[NH2+]C3)C2)CC[NH2+]C1 ZINC001246297982 780551388 /nfs/dbraw/zinc/55/13/88/780551388.db2.gz YNJVYHKTJNWNHE-RYUDHWBXSA-N 3 1 254.378 -1.216 20 0 CAADMP COC(=O)[C@@H]1C[NH2+]CC[C@@H]1[NH2+][C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246332087 780551768 /nfs/dbraw/zinc/55/17/68/780551768.db2.gz YXTMCWNLSYDVOR-UTUOFQBUSA-N 3 1 282.388 -1.179 20 0 CAADMP COC(=O)[C@@H]1C[C@H]([NH2+]CCN2CC[NH2+]CC2=O)CN1 ZINC001246356290 780552487 /nfs/dbraw/zinc/55/24/87/780552487.db2.gz NFAXBAIVGDZIPA-UWVGGRQHSA-N 2 1 270.333 -2.089 20 0 CAADMP [NH3+]CCC[NH2+]CCC[NH2+][C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246450094 780553356 /nfs/dbraw/zinc/55/33/56/780553356.db2.gz APHBKPUKSDCQFE-LBPRGKRZSA-N 4 1 255.410 -1.002 20 0 CAADMP [NH3+][C@@H]1NCN(C2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@@H]2NCN[C@@H]21 ZINC001246460260 780553697 /nfs/dbraw/zinc/55/36/97/780553697.db2.gz FEEAUAADLARCTF-WBTBXEGNSA-N 2 1 252.366 -1.738 20 0 CAADMP [NH3+]CCNCC[NH2+][C@@H]1CN[C@H](C(=O)N2CCSC2)C1 ZINC001246403819 780553986 /nfs/dbraw/zinc/55/39/86/780553986.db2.gz IAYUWFMUGHGRAM-QWRGUYRKSA-N 2 1 287.433 -1.612 20 0 CAADMP [NH3+]CCC[NH2+]CCC[NH2+][C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246450089 780554026 /nfs/dbraw/zinc/55/40/26/780554026.db2.gz APHBKPUKSDCQFE-GFCCVEGCSA-N 4 1 255.410 -1.002 20 0 CAADMP O=C([C@@H]1C[C@H](NC[C@H]2CNCC[NH2+]2)C[NH2+]1)N1CCSC1 ZINC001246493426 780555443 /nfs/dbraw/zinc/55/54/43/780555443.db2.gz ZAGVDECNEUHEJJ-TUAOUCFPSA-N 2 1 299.444 -1.599 20 0 CAADMP O=C([C@@H]1C[C@H](NC[C@@H]2CNCC[NH2+]2)C[NH2+]1)N1CCSC1 ZINC001246493390 780555849 /nfs/dbraw/zinc/55/58/49/780555849.db2.gz ZAGVDECNEUHEJJ-SRVKXCTJSA-N 2 1 299.444 -1.599 20 0 CAADMP OC[C@@H]1CC[N@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)C[C@@H]1O ZINC001246575500 780556247 /nfs/dbraw/zinc/55/62/47/780556247.db2.gz MPUCFURJRIZVPD-TUAOUCFPSA-N 2 1 255.362 -1.245 20 0 CAADMP COC(=O)[C@@H]1C[C@H](N2CCO[C@@H](CC[NH3+])C2)C[NH2+]1 ZINC001246533063 780556309 /nfs/dbraw/zinc/55/63/09/780556309.db2.gz BSOYKCWTJZGXTN-DCAQKATOSA-N 2 1 257.334 -1.061 20 0 CAADMP COC(=O)[C@@H]1C[C@@H]([N@H+]2C[C@H](O)[C@@H](C[NH3+])C2)CCN1 ZINC001246581136 780556376 /nfs/dbraw/zinc/55/63/76/780556376.db2.gz PVOKGGUOZPSTIM-NAKRPEOUSA-N 2 1 257.334 -1.469 20 0 CAADMP OC[C@@H]1C[N@H+]([C@H]2CCNC3(C[NH2+]C3)C2)CC[C@@H]1O ZINC001246588856 780556543 /nfs/dbraw/zinc/55/65/43/780556543.db2.gz LKQOEGAFYNXGMS-SRVKXCTJSA-N 2 1 255.362 -1.245 20 0 CAADMP COC(=O)[C@@H]1C[C@@H](N2CCO[C@H](CC[NH3+])C2)C[NH2+]1 ZINC001246533064 780556553 /nfs/dbraw/zinc/55/65/53/780556553.db2.gz BSOYKCWTJZGXTN-MXWKQRLJSA-N 2 1 257.334 -1.061 20 0 CAADMP OC[C@@H]1C[N@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)CC[C@H]1O ZINC001246588854 780556630 /nfs/dbraw/zinc/55/66/30/780556630.db2.gz LKQOEGAFYNXGMS-QJPTWQEYSA-N 2 1 255.362 -1.245 20 0 CAADMP CCOC(=O)[C@@H]1CC[C@@H]([N@@H+]2C[C@H](O)[C@@H](C[NH3+])C2)CN1 ZINC001246584424 780556883 /nfs/dbraw/zinc/55/68/83/780556883.db2.gz MOXVVQKGRJNUMZ-USZNOCQGSA-N 2 1 271.361 -1.079 20 0 CAADMP CCOC(=O)[C@@H]1CC[C@@H]([N@H+]2C[C@H](O)[C@@H](C[NH3+])C2)CN1 ZINC001246584424 780556892 /nfs/dbraw/zinc/55/68/92/780556892.db2.gz MOXVVQKGRJNUMZ-USZNOCQGSA-N 2 1 271.361 -1.079 20 0 CAADMP C[C@H](CC(=O)N1CCOCC1)[N@H+]1C[C@@H](O)[C@@H](C[NH3+])C1 ZINC001246575363 780556927 /nfs/dbraw/zinc/55/69/27/780556927.db2.gz CDAITZMYSNKUFD-GRYCIOLGSA-N 2 1 271.361 -1.125 20 0 CAADMP CCOC(=O)[C@@H]1CC[C@H]([N@@H+]2C[C@H](O)[C@@H](C[NH3+])C2)CN1 ZINC001246584421 780557177 /nfs/dbraw/zinc/55/71/77/780557177.db2.gz MOXVVQKGRJNUMZ-BJDJZHNGSA-N 2 1 271.361 -1.079 20 0 CAADMP CCOC(=O)[C@@H]1CC[C@H]([N@H+]2C[C@H](O)[C@@H](C[NH3+])C2)CN1 ZINC001246584421 780557186 /nfs/dbraw/zinc/55/71/86/780557186.db2.gz MOXVVQKGRJNUMZ-BJDJZHNGSA-N 2 1 271.361 -1.079 20 0 CAADMP CCOC(=O)[C@@H]1CC[C@@H]([N@@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)CN1 ZINC001246580313 780557388 /nfs/dbraw/zinc/55/73/88/780557388.db2.gz MOXVVQKGRJNUMZ-WHOHXGKFSA-N 2 1 271.361 -1.079 20 0 CAADMP CCOC(=O)[C@@H]1CC[C@@H]([N@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)CN1 ZINC001246580313 780557392 /nfs/dbraw/zinc/55/73/92/780557392.db2.gz MOXVVQKGRJNUMZ-WHOHXGKFSA-N 2 1 271.361 -1.079 20 0 CAADMP CCOC(=O)[C@@H]1CC[C@H]([N@@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)CN1 ZINC001246580311 780557426 /nfs/dbraw/zinc/55/74/26/780557426.db2.gz MOXVVQKGRJNUMZ-FIQHERPVSA-N 2 1 271.361 -1.079 20 0 CAADMP CCOC(=O)[C@@H]1CC[C@H]([N@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)CN1 ZINC001246580311 780557431 /nfs/dbraw/zinc/55/74/31/780557431.db2.gz MOXVVQKGRJNUMZ-FIQHERPVSA-N 2 1 271.361 -1.079 20 0 CAADMP CC[C@]1(C(=O)OC)C[C@H](N2C[C@H](O)[C@@H](C[NH3+])C2)C[NH2+]1 ZINC001246585048 780557435 /nfs/dbraw/zinc/55/74/35/780557435.db2.gz OATNLBUKOOPFGE-MRBYEJRBSA-N 2 1 271.361 -1.079 20 0 CAADMP COC(=O)[C@@H]1C[C@H](N2CCO[C@@H]3CC[NH2+]C[C@@H]32)C[NH2+]1 ZINC001246647865 780559613 /nfs/dbraw/zinc/55/96/13/780559613.db2.gz VYABWPMMWQKGPK-FIQHERPVSA-N 2 1 269.345 -1.047 20 0 CAADMP COC(=O)[C@@H]1C[C@@H](N2CC[NH2+]C[C@@H]2C(=O)OC)C[NH2+]1 ZINC001246627788 780559666 /nfs/dbraw/zinc/55/96/66/780559666.db2.gz XKBCBRAGZXXDRO-KXUCPTDWSA-N 2 1 271.317 -1.663 20 0 CAADMP COC(=O)[C@@H]1C[C@@H](N2CCO[C@]3(C2)C[NH2+]CCOC3)C[NH2+]1 ZINC001246632482 780559761 /nfs/dbraw/zinc/55/97/61/780559761.db2.gz VSJJLOZBHVOYMF-DYEKYZERSA-N 2 1 299.371 -1.419 20 0 CAADMP COC(=O)[C@@H]1C[C@H](N2CC[C@@H]3[NH2+]CCO[C@H]3C2)C[NH2+]1 ZINC001246635466 780559772 /nfs/dbraw/zinc/55/97/72/780559772.db2.gz UWNQNJJQAYBSDQ-BJDJZHNGSA-N 2 1 269.345 -1.047 20 0 CAADMP COC(=O)[C@@H]1C[C@@H](N2CC[C@@H]3[NH2+]CCO[C@H]3C2)C[NH2+]1 ZINC001246635467 780559893 /nfs/dbraw/zinc/55/98/93/780559893.db2.gz UWNQNJJQAYBSDQ-RHYQMDGZSA-N 2 1 269.345 -1.047 20 0 CAADMP COC(=O)[C@@H]1C[C@@H](N2CCOCC23C[NH2+]C3)C[NH2+]1 ZINC001246642371 780560047 /nfs/dbraw/zinc/56/00/47/780560047.db2.gz VWLGJVZGVKPOMP-ZJUUUORDSA-N 2 1 255.318 -1.436 20 0 CAADMP COC(=O)[C@@H]1C[C@H](N2CC[NH2+]C[C@]23CC[NH2+]C3)CN1 ZINC001246627260 780560133 /nfs/dbraw/zinc/56/01/33/780560133.db2.gz UWCQIFLANKQCPQ-GMXVVIOVSA-N 2 1 268.361 -1.473 20 0 CAADMP COC(=O)[C@@H]1CC[C@H](N2CC[NH2+]C[C@@]23CC[NH2+]C3)CN1 ZINC001246630364 780560448 /nfs/dbraw/zinc/56/04/48/780560448.db2.gz OOZQQAFMQFLYAK-OBJOEFQTSA-N 2 1 282.388 -1.083 20 0 CAADMP COC(=O)[C@@H]1CC[C@H]([N@@H+]2C[C@H]3C[NH2+]C[C@@]3(CO)C2)CN1 ZINC001246646491 780560550 /nfs/dbraw/zinc/56/05/50/780560550.db2.gz NGMQCELCYWZZEI-UHXUPSOCSA-N 2 1 283.372 -1.206 20 0 CAADMP COC(=O)[C@@H]1CC[C@H]([N@H+]2C[C@H]3C[NH2+]C[C@@]3(CO)C2)CN1 ZINC001246646491 780560557 /nfs/dbraw/zinc/56/05/57/780560557.db2.gz NGMQCELCYWZZEI-UHXUPSOCSA-N 2 1 283.372 -1.206 20 0 CAADMP COC(=O)[C@@H]1C[C@@H](N2CCO[C@@H]3CC[NH2+]C[C@@H]32)C[NH2+]1 ZINC001246647869 780560701 /nfs/dbraw/zinc/56/07/01/780560701.db2.gz VYABWPMMWQKGPK-NOOOWODRSA-N 2 1 269.345 -1.047 20 0 CAADMP COC(=O)[C@@H]1C[C@H](N2CCO[C@]3(C2)C[NH2+]CCOC3)C[NH2+]1 ZINC001246632484 780560757 /nfs/dbraw/zinc/56/07/57/780560757.db2.gz VSJJLOZBHVOYMF-OBJOEFQTSA-N 2 1 299.371 -1.419 20 0 CAADMP NC(=O)[C@H]1C[N@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)CCN1 ZINC001246799316 780561550 /nfs/dbraw/zinc/56/15/50/780561550.db2.gz YEGBWZGTUIFDST-NXEZZACHSA-N 2 1 253.350 -2.161 20 0 CAADMP COC(=O)[C@@H]1C[N@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)CCN1 ZINC001246691834 780561587 /nfs/dbraw/zinc/56/15/87/780561587.db2.gz GAQKNQRZLHSSRD-MNOVXSKESA-N 2 1 268.361 -1.473 20 0 CAADMP NC(=O)[C@@H]1C[C@H](F)C[N@@H+]1[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246806633 780561812 /nfs/dbraw/zinc/56/18/12/780561812.db2.gz YATHPCUDZHSMCM-AEJSXWLSSA-N 2 1 256.325 -1.022 20 0 CAADMP NC(=O)[C@@H]1C[C@H](F)C[N@H+]1[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246806633 780561813 /nfs/dbraw/zinc/56/18/13/780561813.db2.gz YATHPCUDZHSMCM-AEJSXWLSSA-N 2 1 256.325 -1.022 20 0 CAADMP COC(=O)C[C@@H]1CNCC[N@@H+]1[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246811933 780561935 /nfs/dbraw/zinc/56/19/35/780561935.db2.gz AGYRNWRDDMRWSN-NWDGAFQWSA-N 2 1 282.388 -1.083 20 0 CAADMP COC(=O)C[C@@H]1CNCC[N@H+]1[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246811933 780561938 /nfs/dbraw/zinc/56/19/38/780561938.db2.gz AGYRNWRDDMRWSN-NWDGAFQWSA-N 2 1 282.388 -1.083 20 0 CAADMP COC(=O)C[C@H]1CNCC[N@@H+]1[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246811934 780562095 /nfs/dbraw/zinc/56/20/95/780562095.db2.gz AGYRNWRDDMRWSN-RYUDHWBXSA-N 2 1 282.388 -1.083 20 0 CAADMP COC(=O)C[C@H]1CNCC[N@H+]1[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246811934 780562105 /nfs/dbraw/zinc/56/21/05/780562105.db2.gz AGYRNWRDDMRWSN-RYUDHWBXSA-N 2 1 282.388 -1.083 20 0 CAADMP C[N@H+]1CC[C@@H](N2CC[NH2+]CCNCC[NH2+]CC2)C1 ZINC001246819688 780562634 /nfs/dbraw/zinc/56/26/34/780562634.db2.gz HQIMGSBBLJWSIR-CYBMUJFWSA-N 3 1 255.410 -1.225 20 0 CAADMP COC(=O)[C@@H]1C[C@@H](N2C[C@H]([NH3+])C[C@H]2C(=O)OC)C[NH2+]1 ZINC001246839667 780562792 /nfs/dbraw/zinc/56/27/92/780562792.db2.gz YZZGOXRBDSKNDL-IMSYWVGJSA-N 2 1 271.317 -1.536 20 0 CAADMP C1[NH2+]CC12C[C@@H]([NH+]1CCNCC[NH2+]CCNCC1)CCO2 ZINC001246823215 780562850 /nfs/dbraw/zinc/56/28/50/780562850.db2.gz URLYNYLNWSFNLF-AWEZNQCLSA-N 3 1 297.447 -1.408 20 0 CAADMP CC[C@@]1(C(=O)OC)C[C@@H](N(CC[NH3+])CC[NH3+])C[NH2+]1 ZINC001246830680 780562868 /nfs/dbraw/zinc/56/28/68/780562868.db2.gz LJWJVIOSPPLMKF-PWSUYJOCSA-N 3 1 258.366 -1.111 20 0 CAADMP COC(=O)C[C@@H]1C[NH2+]CCN1[C@@H]1C[NH2+][C@H](C(=O)OC)C1 ZINC001246819962 780562879 /nfs/dbraw/zinc/56/28/79/780562879.db2.gz UXDSKLOUKFGFLC-AXFHLTTASA-N 2 1 285.344 -1.273 20 0 CAADMP CC[C@]1(C(=O)OC)C[C@@H](N(CC[NH3+])CC[NH3+])C[NH2+]1 ZINC001246830681 780562906 /nfs/dbraw/zinc/56/29/06/780562906.db2.gz LJWJVIOSPPLMKF-ZYHUDNBSSA-N 3 1 258.366 -1.111 20 0 CAADMP COC(=O)[C@@H]1C[C@H](N2C[C@H]([NH3+])C[C@H]2C(=O)OC)C[NH2+]1 ZINC001246839677 780562919 /nfs/dbraw/zinc/56/29/19/780562919.db2.gz YZZGOXRBDSKNDL-KATARQTJSA-N 2 1 271.317 -1.536 20 0 CAADMP COC(=O)[C@H]1C[C@@H](N2CC[NH2+]C[C@H]2C(=O)OC)C[NH2+]1 ZINC001246857931 780563005 /nfs/dbraw/zinc/56/30/05/780563005.db2.gz XKBCBRAGZXXDRO-BBBLOLIVSA-N 2 1 271.317 -1.663 20 0 CAADMP COC(=O)[C@H]1C[C@@H](N2CC[NH2+]CCNCC[NH2+]CC2)C[NH2+]1 ZINC001246822825 780563602 /nfs/dbraw/zinc/56/36/02/780563602.db2.gz SVZUPXORDNOPSX-CHWSQXEVSA-N 3 1 299.419 -2.026 20 0 CAADMP COC(=O)[C@@H]1C[N@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)C[C@H]1N ZINC001246929782 780563894 /nfs/dbraw/zinc/56/38/94/780563894.db2.gz HQAHSXIRMJHCLW-GMTAPVOTSA-N 2 1 268.361 -1.488 20 0 CAADMP COC(=O)[C@@H]1CN([C@@H]2CCNC3(C[NH2+]C3)C2)C[C@H]1[NH3+] ZINC001246929782 780563899 /nfs/dbraw/zinc/56/38/99/780563899.db2.gz HQAHSXIRMJHCLW-GMTAPVOTSA-N 2 1 268.361 -1.488 20 0 CAADMP O=C1COC[C@@H]2C[N@H+]([C@H]3CCNC4(C[NH2+]C4)C3)CCN12 ZINC001246872336 780564270 /nfs/dbraw/zinc/56/42/70/780564270.db2.gz ROUCLEUGWFLHAW-RYUDHWBXSA-N 2 1 280.372 -1.377 20 0 CAADMP COC(=O)[C@@]1(N)CC[N@H+]([C@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246928438 780564508 /nfs/dbraw/zinc/56/45/08/780564508.db2.gz ZNRZPHBCFWJWIE-GXFFZTMASA-N 2 1 268.361 -1.343 20 0 CAADMP COC(=O)[C@@H]1C[C@H](N2CC(N3CC[NH2+]CC3)C2)C[NH2+]1 ZINC001246894227 780564552 /nfs/dbraw/zinc/56/45/52/780564552.db2.gz MHSWFKFQXXAPMW-JQWIXIFHSA-N 2 1 268.361 -1.521 20 0 CAADMP COC(=O)[C@@H]1CN([C@H]2C[NH2+][C@H](C(=O)OC)C2)C[C@H]1[NH3+] ZINC001246930151 780564680 /nfs/dbraw/zinc/56/46/80/780564680.db2.gz KAIMVGGWUFRWTG-KYXWUPHJSA-N 2 1 271.317 -1.678 20 0 CAADMP COC(=O)[C@@H]1C[C@@H]([N@@H+]2CCC[C@H](N3CC([NH3+])C3)C2)CN1 ZINC001246875256 780564706 /nfs/dbraw/zinc/56/47/06/780564706.db2.gz ZPJSJDMWBNAQPB-XQQFMLRXSA-N 2 1 282.388 -1.003 20 0 CAADMP COC(=O)[C@@H]1C[C@@H]([N@H+]2CCC[C@H](N3CC([NH3+])C3)C2)CN1 ZINC001246875256 780564714 /nfs/dbraw/zinc/56/47/14/780564714.db2.gz ZPJSJDMWBNAQPB-XQQFMLRXSA-N 2 1 282.388 -1.003 20 0 CAADMP O=C1COC[C@@H]2C[N@H+]([C@@H]3CCNC4(C[NH2+]C4)C3)CCN12 ZINC001246872296 780564823 /nfs/dbraw/zinc/56/48/23/780564823.db2.gz ROUCLEUGWFLHAW-NEPJUHHUSA-N 2 1 280.372 -1.377 20 0 CAADMP COC(=O)[C@@H]1C[N@H+]([C@H]2CCNC3(C[NH2+]C3)C2)C[C@H]1N ZINC001246929784 780564922 /nfs/dbraw/zinc/56/49/22/780564922.db2.gz HQAHSXIRMJHCLW-HBNTYKKESA-N 2 1 268.361 -1.488 20 0 CAADMP COC(=O)[C@@H]1CN([C@H]2CCNC3(C[NH2+]C3)C2)C[C@H]1[NH3+] ZINC001246929784 780564923 /nfs/dbraw/zinc/56/49/23/780564923.db2.gz HQAHSXIRMJHCLW-HBNTYKKESA-N 2 1 268.361 -1.488 20 0 CAADMP COC(=O)[C@H]1C[C@H](N2C[C@@H]([NH3+])C[C@H]2C(=O)OC)C[NH2+]1 ZINC001246909999 780565019 /nfs/dbraw/zinc/56/50/19/780565019.db2.gz YZZGOXRBDSKNDL-QEYWKRMJSA-N 2 1 271.317 -1.536 20 0 CAADMP COC(=O)[C@@H]1CN([C@@H]2C[NH2+][C@H](C(=O)OC)C2)C[C@@H]1[NH3+] ZINC001246930150 780565027 /nfs/dbraw/zinc/56/50/27/780565027.db2.gz KAIMVGGWUFRWTG-JXUBOQSCSA-N 2 1 271.317 -1.678 20 0 CAADMP COC(=O)[C@@H]1C[N@H+]([C@@H]2CCOC3(C[NH2+]C3)C2)C[C@H]1N ZINC001246929936 780565125 /nfs/dbraw/zinc/56/51/25/780565125.db2.gz ITBUPACFQRVUEY-GMTAPVOTSA-N 2 1 269.345 -1.061 20 0 CAADMP COC(=O)[C@@H]1CN([C@@H]2CCOC3(C[NH2+]C3)C2)C[C@H]1[NH3+] ZINC001246929936 780565131 /nfs/dbraw/zinc/56/51/31/780565131.db2.gz ITBUPACFQRVUEY-GMTAPVOTSA-N 2 1 269.345 -1.061 20 0 CAADMP COC(=O)[C@H]1C[N@@H+]([C@H]2CCNC3(C[NH2+]C3)C2)CC[C@@H]1N ZINC001246949752 780565758 /nfs/dbraw/zinc/56/57/58/780565758.db2.gz UYDUGHIXWVLMRY-SRVKXCTJSA-N 2 1 282.388 -1.097 20 0 CAADMP COC(=O)[C@H]1C[N@H+]([C@H]2CCNC3(C[NH2+]C3)C2)CC[C@@H]1N ZINC001246949752 780565763 /nfs/dbraw/zinc/56/57/63/780565763.db2.gz UYDUGHIXWVLMRY-SRVKXCTJSA-N 2 1 282.388 -1.097 20 0 CAADMP N[C@@H]1C[N@@H+]([C@H]2CCNC3(C[NH2+]C3)C2)CC12COC2 ZINC001246990792 780566044 /nfs/dbraw/zinc/56/60/44/780566044.db2.gz QPSQBPUNONXYRO-WDEREUQCSA-N 2 1 252.362 -1.260 20 0 CAADMP N[C@@H]1C[N@H+]([C@H]2CCNC3(C[NH2+]C3)C2)CC12COC2 ZINC001246990792 780566048 /nfs/dbraw/zinc/56/60/48/780566048.db2.gz QPSQBPUNONXYRO-WDEREUQCSA-N 2 1 252.362 -1.260 20 0 CAADMP COC(=O)[C@@H]1C[C@@H](N2CC[C@H]([NH3+])[C@@H](C(=O)OC)C2)C[NH2+]1 ZINC001246947227 780566181 /nfs/dbraw/zinc/56/61/81/780566181.db2.gz JVPDQLUJVIUXMA-RCWTZXSCSA-N 2 1 285.344 -1.288 20 0 CAADMP COC(=O)[C@@H]1C[C@H](N2CC[C@H]([NH3+])[C@@H](C(=O)OC)C2)C[NH2+]1 ZINC001246947226 780566414 /nfs/dbraw/zinc/56/64/14/780566414.db2.gz JVPDQLUJVIUXMA-NAKRPEOUSA-N 2 1 285.344 -1.288 20 0 CAADMP CC[NH+](CC)C[C@@H](O)C[NH2+]C[C@@H]1CNC(=O)CO1 ZINC001253208769 780591939 /nfs/dbraw/zinc/59/19/39/780591939.db2.gz SUAVBRXDOHVJAW-WDEREUQCSA-N 2 1 259.350 -1.206 20 0 CAADMP CCOC[C@@H](O)C[NH2+]CCC[NH+](CCO)CCO ZINC001252042734 780580814 /nfs/dbraw/zinc/58/08/14/780580814.db2.gz VLGKTKJQLRRZKC-LBPRGKRZSA-N 2 1 264.366 -1.350 20 0 CAADMP COC(=O)[C@H](O)C[NH2+]CCC(=O)N1CC[NH+](C)CC1 ZINC001252446561 780587385 /nfs/dbraw/zinc/58/73/85/780587385.db2.gz SIQAYAJIWZLGNB-SNVBAGLBSA-N 2 1 273.333 -1.726 20 0 CAADMP COC(=O)[C@@H](O)C[NH2+]CCC(=O)N1CC[NH+](C)CC1 ZINC001252446560 780587451 /nfs/dbraw/zinc/58/74/51/780587451.db2.gz SIQAYAJIWZLGNB-JTQLQIEISA-N 2 1 273.333 -1.726 20 0 CAADMP CN(C[C@H](O)C[NH2+]CCO)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001278833670 780611168 /nfs/dbraw/zinc/61/11/68/780611168.db2.gz VNIQMNXFNLEQFC-WDEREUQCSA-N 2 1 259.350 -1.661 20 0 CAADMP C[NH+](C)C[C@H](O)C[NH2+]C[C@@H](O)C[C@@]1(O)CCOC1 ZINC001262489660 780712010 /nfs/dbraw/zinc/71/20/10/780712010.db2.gz FPQRSZZOJSBSNL-TUAOUCFPSA-N 2 1 262.350 -1.599 20 0 CAADMP CC[N@@H+]1CCO[C@H](C(=O)N(C)C[C@H](O)C[NH2+]C)C1 ZINC001263170275 780722961 /nfs/dbraw/zinc/72/29/61/780722961.db2.gz MNKUDJCGNXMRNH-MNOVXSKESA-N 2 1 259.350 -1.254 20 0 CAADMP CC[N@H+]1CCO[C@H](C(=O)N(C)C[C@H](O)C[NH2+]C)C1 ZINC001263170275 780722965 /nfs/dbraw/zinc/72/29/65/780722965.db2.gz MNKUDJCGNXMRNH-MNOVXSKESA-N 2 1 259.350 -1.254 20 0 CAADMP C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)C[C@H]1[NH3+] ZINC001262542445 780713955 /nfs/dbraw/zinc/71/39/55/780713955.db2.gz AONUCKWNMLWBEG-IJLUTSLNSA-N 2 1 297.403 -1.846 20 0 CAADMP [NH3+]CCNCC(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC001263105275 780720781 /nfs/dbraw/zinc/72/07/81/780720781.db2.gz JTBSUPONXDDUEX-NSHDSACASA-N 2 1 283.376 -2.043 20 0 CAADMP COCC[N@H+]1CCCN(C(=O)CNCC[NH3+])CC1 ZINC001263110651 780721289 /nfs/dbraw/zinc/72/12/89/780721289.db2.gz CUFRZANFOIANFP-UHFFFAOYSA-N 2 1 258.366 -1.285 20 0 CAADMP C[N@@H+]1CCO[C@H](C(=O)NC[C@@H](CO)[NH2+]CCO)C1 ZINC001283742797 780860497 /nfs/dbraw/zinc/86/04/97/780860497.db2.gz NNHQNWRWDBUTSI-UWVGGRQHSA-N 2 1 261.322 -2.624 20 0 CAADMP C[N@H+]1CCO[C@H](C(=O)NC[C@@H](CO)[NH2+]CCO)C1 ZINC001283742797 780860503 /nfs/dbraw/zinc/86/05/03/780860503.db2.gz NNHQNWRWDBUTSI-UWVGGRQHSA-N 2 1 261.322 -2.624 20 0 CAADMP NC(=O)C[NH2+]CCNC(=O)CCCC[NH+]1CCOCC1 ZINC001135322741 781359668 /nfs/dbraw/zinc/35/96/68/781359668.db2.gz DNQBNMYRDCAFAF-UHFFFAOYSA-N 2 1 286.376 -1.320 20 0 CAADMP C[C@@H]([NH2+]CCNC(=O)CC[NH+]1CCOCC1)C(N)=O ZINC001135340503 781361226 /nfs/dbraw/zinc/36/12/26/781361226.db2.gz BQOBQCIYKDMUNY-SNVBAGLBSA-N 2 1 272.349 -1.712 20 0 CAADMP O=C(CC[NH+]1CCOCC1)NCC[NH2+][C@@H]1CCNC1=O ZINC001135352741 781362602 /nfs/dbraw/zinc/36/26/02/781362602.db2.gz PUXVTHYSTKUJBG-LLVKDONJSA-N 2 1 284.360 -1.697 20 0 CAADMP O=C(CC[NH+]1CCOCC1)NCC[NH2+][C@H]1CCNC1=O ZINC001135352742 781362998 /nfs/dbraw/zinc/36/29/98/781362998.db2.gz PUXVTHYSTKUJBG-NSHDSACASA-N 2 1 284.360 -1.697 20 0 CAADMP C[C@@H](O)C[NH2+]CCNC(=O)CC[NH+]1CCOCC1 ZINC001135352606 781363035 /nfs/dbraw/zinc/36/30/35/781363035.db2.gz JXZQQVCZJCJGFA-LLVKDONJSA-N 2 1 259.350 -1.205 20 0 CAADMP COC[C@H](O)C[NH2+]CCNC(=O)CC[NH+]1CCOCC1 ZINC001135352905 781363189 /nfs/dbraw/zinc/36/31/89/781363189.db2.gz YXIGHYLGOFMYEO-GFCCVEGCSA-N 2 1 289.376 -1.578 20 0 CAADMP O=C(CC[NH+]1CCOCC1)NCC[NH2+]CCOCCO ZINC001135352725 781363208 /nfs/dbraw/zinc/36/32/08/781363208.db2.gz PEHKZHISCQLRPN-UHFFFAOYSA-N 2 1 289.376 -1.577 20 0 CAADMP O=C(CC[NH+]1CCOCC1)NCC[NH2+]CCn1cncn1 ZINC001135352796 781363367 /nfs/dbraw/zinc/36/33/67/781363367.db2.gz SMXFFAJXLFVKQQ-UHFFFAOYSA-N 2 1 296.375 -1.294 20 0 CAADMP CC[C@H]([NH2+]CCNC(=O)CC[NH+]1CCOCC1)C(N)=O ZINC001135352524 781363455 /nfs/dbraw/zinc/36/34/55/781363455.db2.gz FZBXWTQLZBUVIB-NSHDSACASA-N 2 1 286.376 -1.322 20 0 CAADMP Cn1nncc1C[NH2+]CCNC(=O)CC[NH+]1CCOCC1 ZINC001135349904 781363792 /nfs/dbraw/zinc/36/37/92/781363792.db2.gz HRASTSAKIBHVFZ-UHFFFAOYSA-N 2 1 296.375 -1.257 20 0 CAADMP O=C(CC[NH+]1CCOCC1)NCC[NH2+][C@@H]1CCCNC1=O ZINC001135352198 781363815 /nfs/dbraw/zinc/36/38/15/781363815.db2.gz CPIPBRWTTBIKOL-GFCCVEGCSA-N 2 1 298.387 -1.307 20 0 CAADMP O=C(CC[NH+]1CCOCC1)NCC[NH2+]CC(=O)N1CCC1 ZINC001135336796 781363941 /nfs/dbraw/zinc/36/39/41/781363941.db2.gz KOSJMPYNZXFPQI-UHFFFAOYSA-N 2 1 298.387 -1.353 20 0 CAADMP CNC(=O)[C@@H](C)[NH2+]CCNC(=O)CC[NH+]1CCOCC1 ZINC001135352404 781364044 /nfs/dbraw/zinc/36/40/44/781364044.db2.gz DFEKKKBOWDJUKS-LLVKDONJSA-N 2 1 286.376 -1.451 20 0 CAADMP NC(=O)C[NH2+]CCNC(=O)CC[NH+]1CCOCC1 ZINC001135349959 781364065 /nfs/dbraw/zinc/36/40/65/781364065.db2.gz ISWPMEGMVYAGHE-UHFFFAOYSA-N 2 1 258.322 -2.100 20 0 CAADMP COC(=O)[C@@H]1C[C@H](NCCC[NH2+]CCC[NH3+])CN1 ZINC001246451475 781438101 /nfs/dbraw/zinc/43/81/01/781438101.db2.gz HGXQREQOCHCXPT-QWRGUYRKSA-N 2 1 258.366 -1.192 20 0 CAADMP [NH3+][C@@H]1CN(Cc2cn3c(n2)C[NH2+]CC3)CC[C@H]1O ZINC001206088199 781389471 /nfs/dbraw/zinc/38/94/71/781389471.db2.gz WQDFTZJYOLQPBU-GHMZBOCLSA-N 2 1 251.334 -1.120 20 0 CAADMP [NH3+]C[C@H]1C[N@@H+](C[C@@H](O)CC2(O)CC[NH2+]CC2)C[C@@H]1O ZINC001246019528 781398555 /nfs/dbraw/zinc/39/85/55/781398555.db2.gz FUJGLEIYNLDREW-SRVKXCTJSA-N 3 1 273.377 -1.897 20 0 CAADMP [NH3+]C[C@H]1CN(C[C@@H](O)CC2(O)CC[NH2+]CC2)C[C@@H]1O ZINC001246019528 781398564 /nfs/dbraw/zinc/39/85/64/781398564.db2.gz FUJGLEIYNLDREW-SRVKXCTJSA-N 2 1 273.377 -1.897 20 0 CAADMP O=C(Cc1c[nH]cn1)N[C@@H]1CC[N@H+](CCO)C[C@@H]1O ZINC001090601476 781411978 /nfs/dbraw/zinc/41/19/78/781411978.db2.gz RSVVIZDCKGVBNA-MNOVXSKESA-N 2 1 268.317 -1.504 20 0 CAADMP COC(=O)[C@H](CN)C[NH2+][C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246236628 781420387 /nfs/dbraw/zinc/42/03/87/781420387.db2.gz PYXHDGQHHOFNQD-NXEZZACHSA-N 2 1 256.350 -1.582 20 0 CAADMP O=C(N[C@H]1CC[N@H+](CCO)C[C@H]1O)C12CC[NH+](CC1)C2 ZINC001090730178 781426394 /nfs/dbraw/zinc/42/63/94/781426394.db2.gz HSHWWLXGYQPWMN-NWDGAFQWSA-N 2 1 283.372 -1.374 20 0 CAADMP O=C([C@@H]1C[C@H](N[C@@H]2C[NH2+]CCC2=O)C[NH2+]1)N1CCSC1 ZINC001246287983 781427526 /nfs/dbraw/zinc/42/75/26/781427526.db2.gz HBLJTTMWMIILFB-GARJFASQSA-N 2 1 298.412 -1.230 20 0 CAADMP CS(=O)(=O)N1CCC([NH2+][C@H]2C[NH2+]C[C@H]2CO)CC1 ZINC001246300796 781428195 /nfs/dbraw/zinc/42/81/95/781428195.db2.gz TZIOABKCYQWOKD-ONGXEEELSA-N 2 1 277.390 -1.420 20 0 CAADMP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[N@H+](CCO)C[C@@H]1O ZINC001090808395 781432698 /nfs/dbraw/zinc/43/26/98/781432698.db2.gz KDECYUFQRMUYRZ-RYUDHWBXSA-N 2 1 282.344 -1.265 20 0 CAADMP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[N@@H+](CCO)C[C@@H]1O ZINC001090808395 781432707 /nfs/dbraw/zinc/43/27/07/781432707.db2.gz KDECYUFQRMUYRZ-RYUDHWBXSA-N 2 1 282.344 -1.265 20 0 CAADMP C[NH+]1CCC(CC(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@@H]32)CC1 ZINC001143366720 781438186 /nfs/dbraw/zinc/43/81/86/781438186.db2.gz GOBSRNUPXMSFMG-RWMBFGLXSA-N 2 1 282.392 -1.763 20 0 CAADMP C[C@@H]1C(=O)NCCN1C(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001160451661 781441005 /nfs/dbraw/zinc/44/10/05/781441005.db2.gz SXBNCPWNOBOYNK-KOLCDFICSA-N 2 1 283.376 -1.916 20 0 CAADMP C[N@@H+]1CCO[C@H](C(=O)NCC2CC([NH2+]CC(N)=O)C2)C1 ZINC001090970936 781442693 /nfs/dbraw/zinc/44/26/93/781442693.db2.gz NRWFVYHIKKSXPA-ILDUYXDCSA-N 2 1 284.360 -1.713 20 0 CAADMP C[N@H+]1CCO[C@H](C(=O)NCC2CC([NH2+]CC(N)=O)C2)C1 ZINC001090970936 781442703 /nfs/dbraw/zinc/44/27/03/781442703.db2.gz NRWFVYHIKKSXPA-ILDUYXDCSA-N 2 1 284.360 -1.713 20 0 CAADMP CN(CC(=O)NCC1([NH+]2CCCC2)COC1)C(N)=[NH2+] ZINC001144143931 781445602 /nfs/dbraw/zinc/44/56/02/781445602.db2.gz UTYOKMOIMZIZCP-UHFFFAOYSA-N 2 1 269.349 -1.207 20 0 CAADMP Cc1cc(N(C(N)=[NH2+])C(=O)CN(C)C(N)=[NH2+])n[nH]1 ZINC001144149145 781445777 /nfs/dbraw/zinc/44/57/77/781445777.db2.gz GQHVRJIMGZMAJZ-UHFFFAOYSA-N 2 1 252.282 -1.230 20 0 CAADMP CN(CC(=O)NCCN1CCC[N@@H+](C)CC1)C(N)=[NH2+] ZINC001144143799 781446177 /nfs/dbraw/zinc/44/61/77/781446177.db2.gz SBBZQESDDZGWKH-UHFFFAOYSA-N 2 1 270.381 -1.435 20 0 CAADMP COC(=O)[C@@H]1C[C@@H](N(C)C[C@@H]2C[NH2+]CCO2)C[NH2+]1 ZINC001246560190 781453153 /nfs/dbraw/zinc/45/31/53/781453153.db2.gz UXRVRNUVXUKLTL-VWYCJHECSA-N 2 1 257.334 -1.190 20 0 CAADMP COC(=O)[C@H]1C[N@H+]([C@H]2CCNC3(C[NH2+]C3)C2)CCO1 ZINC001246565132 781455082 /nfs/dbraw/zinc/45/50/82/781455082.db2.gz ACEWGEIMMGLFCK-WDEREUQCSA-N 2 1 269.345 -1.046 20 0 CAADMP [NH3+]C[C@H]1CN(C(=O)[C@@H]([NH3+])Cc2c[nH]cn2)CCO1 ZINC001160643866 781457735 /nfs/dbraw/zinc/45/77/35/781457735.db2.gz OWFYWMAPUPPGLH-UWVGGRQHSA-N 2 1 253.306 -1.534 20 0 CAADMP CC[C@@]1(C(=O)OC)C[C@@H](N2C[C@@H](O)[C@@H](C[NH3+])C2)C[NH2+]1 ZINC001246580721 781462116 /nfs/dbraw/zinc/46/21/16/781462116.db2.gz OATNLBUKOOPFGE-WGBDABJCSA-N 2 1 271.361 -1.079 20 0 CAADMP C[N@@H+]1C[C@H]2CN(C(=O)[C@]34C[NH2+]C[C@@H]3CCN4)C[C@H]2C1 ZINC001160704570 781463782 /nfs/dbraw/zinc/46/37/82/781463782.db2.gz LVRKWAWRKSLCKO-OPDFLTKYSA-N 3 1 264.373 -1.042 20 0 CAADMP NC[C@@H]([NH3+])c1ccc(C(=O)N2CCO[C@H](C(N)=O)C2)cc1 ZINC001160705319 781463929 /nfs/dbraw/zinc/46/39/29/781463929.db2.gz VGASXUPWFSDXIX-NEPJUHHUSA-N 2 1 292.339 -1.029 20 0 CAADMP COC[C@@H]1C[NH2+]CCN1[C@H]1C[NH2+][C@H](C(=O)OC)C1 ZINC001246593479 781464183 /nfs/dbraw/zinc/46/41/83/781464183.db2.gz ICLYOZFMJLFAOH-VWYCJHECSA-N 2 1 257.334 -1.190 20 0 CAADMP C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]([NH3+])Cc3nnn[n-]3)C[C@H]2C1 ZINC001160703868 781464354 /nfs/dbraw/zinc/46/43/54/781464354.db2.gz GPPLZENJGQNVTF-YIZRAAEISA-N 2 1 265.321 -1.911 20 0 CAADMP C[N@H+]1CC[C@H](CC(=O)NCCC[NH2+]CC(N)=O)C1 ZINC001171218693 781464458 /nfs/dbraw/zinc/46/44/58/781464458.db2.gz RLZMIILHLBOPNI-SNVBAGLBSA-N 2 1 256.350 -1.091 20 0 CAADMP COC(=O)[C@H]1C[C@H]([N@H+]2CCNC3(CC[NH2+]CC3)C2)CN1 ZINC001246599701 781465713 /nfs/dbraw/zinc/46/57/13/781465713.db2.gz DGWUGDNUQYFXLM-NWDGAFQWSA-N 2 1 282.388 -1.083 20 0 CAADMP COC(=O)[C@@H]1C[C@@H](N2CC[NH2+]C[C@]23CC[NH2+]C3)CN1 ZINC001246627277 781477022 /nfs/dbraw/zinc/47/70/22/781477022.db2.gz UWCQIFLANKQCPQ-NTZNESFSSA-N 2 1 268.361 -1.473 20 0 CAADMP COC(=O)[C@H]1C[C@@H](N2CCN[C@]3(CC[NH2+]C3)C2)C[NH2+]1 ZINC001246646734 781477931 /nfs/dbraw/zinc/47/79/31/781477931.db2.gz XITLCYDGTADVAI-WZRBSPASSA-N 2 1 268.361 -1.473 20 0 CAADMP C1[NH2+]CC12C[C@@H]([N@H+]1CCN[C@@]3(CC[NH2+]C3)C1)CCN2 ZINC001246645145 781479148 /nfs/dbraw/zinc/47/91/48/781479148.db2.gz UANIJWTZZNOTCE-QWHCGFSZSA-N 3 1 265.405 -1.282 20 0 CAADMP C1[NH2+]CC12C[C@@H](N1CCN[C@@]3(CC[NH2+]C3)C1)CCN2 ZINC001246645145 781479159 /nfs/dbraw/zinc/47/91/59/781479159.db2.gz UANIJWTZZNOTCE-QWHCGFSZSA-N 2 1 265.405 -1.282 20 0 CAADMP OC[C@@]12C[NH2+]C[C@@H]1C[N@H+]([C@H]1CCNC3(C[NH2+]C3)C1)C2 ZINC001246648398 781479190 /nfs/dbraw/zinc/47/91/90/781479190.db2.gz YBNBKTMDASGFNU-AGIUHOORSA-N 3 1 266.389 -1.406 20 0 CAADMP Nc1ccc[nH+]c1N1CCN(C(=O)[C@@H]2C[NH2+]C[C@H]2O)CC1 ZINC001160826128 781480067 /nfs/dbraw/zinc/48/00/67/781480067.db2.gz SBQPSIBULMRVRK-ZYHUDNBSSA-N 2 1 291.355 -1.107 20 0 CAADMP C[NH+](C)C[C@H]1COCCN1C(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H](N)C2 ZINC001160839231 781480150 /nfs/dbraw/zinc/48/01/50/781480150.db2.gz RMMIAAWRWLFCLI-SFTQSGBHSA-N 2 1 282.388 -1.003 20 0 CAADMP C1[NH2+]CC12C[C@@H]([N@H+]1C[C@@H]3COC[C@H](C1)N3)CCN2 ZINC001246672273 781480554 /nfs/dbraw/zinc/48/05/54/781480554.db2.gz JCHVBFPRMIBDJJ-TUAOUCFPSA-N 2 1 252.362 -1.247 20 0 CAADMP Nc1ccc[nH+]c1N1CCN(C(=O)[C@@H]2C[NH2+]C[C@@H]2O)CC1 ZINC001160826127 781480601 /nfs/dbraw/zinc/48/06/01/781480601.db2.gz SBQPSIBULMRVRK-PWSUYJOCSA-N 2 1 291.355 -1.107 20 0 CAADMP CS(=O)(=O)N(C1C[NH2+]C1)[C@H]1CC[NH2+]C2(CNC2)C1 ZINC001246828675 781481675 /nfs/dbraw/zinc/48/16/75/781481675.db2.gz FREAZPOEDYCGLN-VIFPVBQESA-N 2 1 274.390 -1.686 20 0 CAADMP CC[N@@H+](C)CCC(=O)NCC[NH2+][C@H]1CCNC1=O ZINC001146719910 781490228 /nfs/dbraw/zinc/49/02/28/781490228.db2.gz WCHOHHCLFVZKNU-JTQLQIEISA-N 2 1 256.350 -1.078 20 0 CAADMP CC[N@@H+](C)CCC(=O)NCC[NH2+][C@@H]1CCNC1=O ZINC001146719912 781490630 /nfs/dbraw/zinc/49/06/30/781490630.db2.gz WCHOHHCLFVZKNU-SNVBAGLBSA-N 2 1 256.350 -1.078 20 0 CAADMP CC[N@@H+](C)CCC(=O)NCC[NH2+][C@@H]1CCC(=O)NC1=O ZINC001146728258 781490939 /nfs/dbraw/zinc/49/09/39/781490939.db2.gz XDRBGZRZMVOEOH-SNVBAGLBSA-N 2 1 284.360 -1.161 20 0 CAADMP CC[N@@H+](C)CCC(=O)NCC[NH2+][C@H](C)C(=O)NC(N)=O ZINC001146711443 781491136 /nfs/dbraw/zinc/49/11/36/781491136.db2.gz SBFIQFUAGBIGIM-SECBINFHSA-N 2 1 287.364 -1.383 20 0 CAADMP CC[N@H+](C)CCC(=O)NCC[NH2+]Cc1nnnn1C ZINC001146718891 781491226 /nfs/dbraw/zinc/49/12/26/781491226.db2.gz JUYZUEUJPUWFPN-UHFFFAOYSA-N 2 1 269.353 -1.242 20 0 CAADMP CC[N@@H+](C)CCC(=O)NCC[NH2+]Cc1nnnn1C ZINC001146718891 781491230 /nfs/dbraw/zinc/49/12/30/781491230.db2.gz JUYZUEUJPUWFPN-UHFFFAOYSA-N 2 1 269.353 -1.242 20 0 CAADMP CC[NH+]1CCC(C(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@H]32)CC1 ZINC001146793178 781492704 /nfs/dbraw/zinc/49/27/04/781492704.db2.gz WQVJNWHCZFXCAI-SRVKXCTJSA-N 2 1 282.392 -1.763 20 0 CAADMP N[C@H]1C[NH2+][C@H](C(=O)N2CC(O)([C@H]3CCCC[NH2+]3)C2)C1 ZINC001161009459 781494158 /nfs/dbraw/zinc/49/41/58/781494158.db2.gz VWKYPAWZHBICAU-OUAUKWLOSA-N 2 1 268.361 -1.609 20 0 CAADMP N[C@@H]1C[NH2+][C@H](C(=O)N2CC(O)([C@H]3CCCC[NH2+]3)C2)C1 ZINC001161009452 781494274 /nfs/dbraw/zinc/49/42/74/781494274.db2.gz VWKYPAWZHBICAU-GARJFASQSA-N 2 1 268.361 -1.609 20 0 CAADMP COC(=O)[C@@H]1C[C@H](N2CC[C@]3(C2)C[NH2+]CCO3)C[NH2+]1 ZINC001246988398 781521444 /nfs/dbraw/zinc/52/14/44/781521444.db2.gz PWVQMKPJOXTXSA-GMXVVIOVSA-N 2 1 269.345 -1.046 20 0 CAADMP C[N@H+]1CC[C@H](CC(=O)NCC[NH2+][C@H]2CCNC2=O)C1 ZINC001147886034 781522531 /nfs/dbraw/zinc/52/25/31/781522531.db2.gz RTNQEKDJUDHWMC-MNOVXSKESA-N 2 1 268.361 -1.078 20 0 CAADMP C[C@H]([NH2+]CCNC(=O)COCC[NH+](C)C)c1nnnn1C ZINC001147848220 781522899 /nfs/dbraw/zinc/52/28/99/781522899.db2.gz IQHWFDUDIXDOSJ-JTQLQIEISA-N 2 1 299.379 -1.445 20 0 CAADMP C[N@H+]1CC[C@H](CC(=O)NCC[NH2+]CC(=O)NC(N)=O)C1 ZINC001147885620 781523222 /nfs/dbraw/zinc/52/32/22/781523222.db2.gz NSWFPABZJFDLJF-SECBINFHSA-N 2 1 285.348 -1.771 20 0 CAADMP C[N@H+]1CC[C@@H](CC(=O)NCC[NH2+][C@@H]2CCNC2=O)C1 ZINC001147886036 781523252 /nfs/dbraw/zinc/52/32/52/781523252.db2.gz RTNQEKDJUDHWMC-WDEREUQCSA-N 2 1 268.361 -1.078 20 0 CAADMP Cn1ncc(C[NH2+]CCNC(=O)COCC[NH+](C)C)n1 ZINC001147842477 781523643 /nfs/dbraw/zinc/52/36/43/781523643.db2.gz ZQYNITPQEKWNSS-UHFFFAOYSA-N 2 1 284.364 -1.401 20 0 CAADMP CNC(=O)NC(=O)C[NH2+]CCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001147886554 781523662 /nfs/dbraw/zinc/52/36/62/781523662.db2.gz XNGCYJVQCMUWDJ-SNVBAGLBSA-N 2 1 299.375 -1.510 20 0 CAADMP Cn1cc(C[NH2+]CCNC(=O)COCC[NH+](C)C)nn1 ZINC001147848703 781523793 /nfs/dbraw/zinc/52/37/93/781523793.db2.gz SOQICSSLLHOYRB-UHFFFAOYSA-N 2 1 284.364 -1.401 20 0 CAADMP C[N@H+]1CC[C@@H](CC(=O)NCC[NH2+]CC(=O)NC(N)=O)C1 ZINC001147885621 781523864 /nfs/dbraw/zinc/52/38/64/781523864.db2.gz NSWFPABZJFDLJF-VIFPVBQESA-N 2 1 285.348 -1.771 20 0 CAADMP C[C@H]([NH2+]CCNC(=O)C[C@@H]1CC[N@@H+](C)C1)C(=O)NC(N)=O ZINC001147899930 781524799 /nfs/dbraw/zinc/52/47/99/781524799.db2.gz CUDSEOBUGXMJNI-UWVGGRQHSA-N 2 1 299.375 -1.383 20 0 CAADMP Cn1nnnc1C[NH2+]CCNC(=O)C12CC[NH+](CC1)C2 ZINC001147970788 781524984 /nfs/dbraw/zinc/52/49/84/781524984.db2.gz PCFHUNNKCVJHKI-UHFFFAOYSA-N 2 1 279.348 -1.488 20 0 CAADMP Cn1nnnc1C[NH2+]CCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001147877379 781525596 /nfs/dbraw/zinc/52/55/96/781525596.db2.gz IXRNOEMWTSRRRD-JTQLQIEISA-N 2 1 281.364 -1.242 20 0 CAADMP Cn1nnnc1C[NH2+]CCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001147877379 781525600 /nfs/dbraw/zinc/52/56/00/781525600.db2.gz IXRNOEMWTSRRRD-JTQLQIEISA-N 2 1 281.364 -1.242 20 0 CAADMP C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N1C[C@H]2CCC[N@@H+](C)[C@H]2C1 ZINC001161085295 781526171 /nfs/dbraw/zinc/52/61/71/781526171.db2.gz SIKRGBZYYPKBDR-USZNOCQGSA-N 2 1 298.387 -1.637 20 0 CAADMP CCC[N@@H+](C)CC(=O)NCC[NH2+][C@H]1CCNC1=O ZINC001148638411 781538265 /nfs/dbraw/zinc/53/82/65/781538265.db2.gz HCOHIRDNNMIFOL-JTQLQIEISA-N 2 1 256.350 -1.078 20 0 CAADMP CCC[N@@H+](C)CC(=O)NCC[NH2+][C@H](C)C(=O)NC(N)=O ZINC001148656109 781538304 /nfs/dbraw/zinc/53/83/04/781538304.db2.gz VOUPJKHHVPSGPX-SECBINFHSA-N 2 1 287.364 -1.383 20 0 CAADMP CCC[N@@H+](C)CC(=O)NCC[NH2+][C@@H](C)C(=O)NC(N)=O ZINC001148656110 781539647 /nfs/dbraw/zinc/53/96/47/781539647.db2.gz VOUPJKHHVPSGPX-VIFPVBQESA-N 2 1 287.364 -1.383 20 0 CAADMP CCC[N@@H+](C)CC(=O)NCCC[NH2+]CC(=O)NC(N)=O ZINC001171763046 781572089 /nfs/dbraw/zinc/57/20/89/781572089.db2.gz SJYNAIIDNATUMD-UHFFFAOYSA-N 2 1 287.364 -1.381 20 0 CAADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](N1CN[C@H]([NH3+])[C@H]3NCN[C@H]31)C2 ZINC001172111526 781575350 /nfs/dbraw/zinc/57/53/50/781575350.db2.gz VETRIAHPXMTMJI-XNJGVTPASA-N 2 1 280.420 -1.006 20 0 CAADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](N1CN[C@H]([NH3+])[C@H]3NCN[C@H]31)C2 ZINC001172111526 781575356 /nfs/dbraw/zinc/57/53/56/781575356.db2.gz VETRIAHPXMTMJI-XNJGVTPASA-N 2 1 280.420 -1.006 20 0 CAADMP COCCC[NH+]1CCC(N2CN[C@H]([NH3+])[C@@H]3NCN[C@H]32)CC1 ZINC001172250580 781575684 /nfs/dbraw/zinc/57/56/84/781575684.db2.gz YSXOMOBTUOKYBE-IHRRRGAJSA-N 2 1 298.435 -1.520 20 0 CAADMP COC(=O)[C@@H]1C[C@@H]([NH2+]C[C@H](O)C[NH3+])C[C@@H]1C(=O)OC ZINC001173563105 781581085 /nfs/dbraw/zinc/58/10/85/781581085.db2.gz WJCHOQULXJHFJU-KYXWUPHJSA-N 2 1 274.317 -1.364 20 0 CAADMP CNC(=O)C[NH2+]CCCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001176058139 781597593 /nfs/dbraw/zinc/59/75/93/781597593.db2.gz VHWNJSRYUPYTSU-SNVBAGLBSA-N 2 1 256.350 -1.220 20 0 CAADMP C[C@H]([NH2+]CCCNC(=O)[C@@H]1CC[N@@H+](C)C1)C(N)=O ZINC001176056592 781597738 /nfs/dbraw/zinc/59/77/38/781597738.db2.gz HRGSFTNVPLVOSC-VHSXEESVSA-N 2 1 256.350 -1.092 20 0 CAADMP C[N@H+]1CC[C@@H](C(=O)NCCC[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001176057706 781597747 /nfs/dbraw/zinc/59/77/47/781597747.db2.gz RMQZFFBESLLTMO-GHMZBOCLSA-N 2 1 296.371 -1.161 20 0 CAADMP C[C@H]([NH2+]CCCNC(=O)[C@H]1CC[N@@H+](C)C1)C(N)=O ZINC001176056591 781597841 /nfs/dbraw/zinc/59/78/41/781597841.db2.gz HRGSFTNVPLVOSC-UWVGGRQHSA-N 2 1 256.350 -1.092 20 0 CAADMP Cn1nnnc1C[NH2+]CCCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001176072354 781597901 /nfs/dbraw/zinc/59/79/01/781597901.db2.gz QPAZRDIQVUNQBR-SNVBAGLBSA-N 2 1 281.364 -1.242 20 0 CAADMP CC[N@@H+]1CCO[C@H](C(=O)NCCC[NH2+][C@@H]2CCNC2=O)C1 ZINC001176644168 781603084 /nfs/dbraw/zinc/60/30/84/781603084.db2.gz NEGDIGZYVVHISD-NEPJUHHUSA-N 2 1 298.387 -1.309 20 0 CAADMP CC[N@H+]1CCO[C@H](C(=O)NCCC[NH2+][C@@H]2CCNC2=O)C1 ZINC001176644168 781603091 /nfs/dbraw/zinc/60/30/91/781603091.db2.gz NEGDIGZYVVHISD-NEPJUHHUSA-N 2 1 298.387 -1.309 20 0 CAADMP CC[N@@H+]1CCO[C@@H](C(=O)NCCC[NH2+][C@H]2CCNC2=O)C1 ZINC001176644173 781604171 /nfs/dbraw/zinc/60/41/71/781604171.db2.gz NEGDIGZYVVHISD-NWDGAFQWSA-N 2 1 298.387 -1.309 20 0 CAADMP CC[N@H+]1CCO[C@@H](C(=O)NCCC[NH2+][C@H]2CCNC2=O)C1 ZINC001176644173 781604175 /nfs/dbraw/zinc/60/41/75/781604175.db2.gz NEGDIGZYVVHISD-NWDGAFQWSA-N 2 1 298.387 -1.309 20 0 CAADMP C[N@H+](CC(=O)N1CN[C@H]([NH3+])[C@H]2NCN[C@@H]21)C1CCCC1 ZINC001180630923 781672239 /nfs/dbraw/zinc/67/22/39/781672239.db2.gz RUWCGBZAAJTTDT-FRRDWIJNSA-N 2 1 282.392 -1.620 20 0 CAADMP C[N@@H+](CC(=O)N1CN[C@H]([NH3+])[C@H]2NCN[C@@H]21)C1CCCC1 ZINC001180630923 781672246 /nfs/dbraw/zinc/67/22/46/781672246.db2.gz RUWCGBZAAJTTDT-FRRDWIJNSA-N 2 1 282.392 -1.620 20 0 CAADMP CCOC(=O)CN(CC[NH3+])C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001180763788 781678363 /nfs/dbraw/zinc/67/83/63/781678363.db2.gz LZUUWYASVIRZHN-SNVBAGLBSA-N 2 1 273.333 -1.333 20 0 CAADMP CCOC(=O)CN(CC[NH3+])C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001180763788 781678367 /nfs/dbraw/zinc/67/83/67/781678367.db2.gz LZUUWYASVIRZHN-SNVBAGLBSA-N 2 1 273.333 -1.333 20 0 CAADMP [NH3+][C@@H]1NCN(C(=O)CC23CCC[NH+]2CCC3)[C@H]2NCN[C@@H]21 ZINC001181114306 781686908 /nfs/dbraw/zinc/68/69/08/781686908.db2.gz NQKKEOLAAJTDDE-JHJVBQTASA-N 2 1 294.403 -1.476 20 0 CAADMP [NH3+][C@@H]1NCN(C(=O)C23CC[NH+](CC2)CC3)[C@H]2NCN[C@H]21 ZINC001181555962 781694643 /nfs/dbraw/zinc/69/46/43/781694643.db2.gz UVMKEVAIQHRAPM-HBNTYKKESA-N 2 1 280.376 -2.009 20 0 CAADMP C[N@H+]1CC[C@@H](C(=O)NCC[NH2+][C@@H]2CCNC2=O)C1 ZINC001151049407 781696334 /nfs/dbraw/zinc/69/63/34/781696334.db2.gz NPUFOJOKLXVOTB-NXEZZACHSA-N 2 1 254.334 -1.468 20 0 CAADMP C[N@H+]1CC[C@H](C(=O)NCC[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001151056353 781700151 /nfs/dbraw/zinc/70/01/51/781700151.db2.gz LNPMVYNHOQGPNV-VHSXEESVSA-N 2 1 282.344 -1.551 20 0 CAADMP CN1CC[C@@H]([NH2+]CCNC(=O)[C@@H]2CC[N@@H+](C)C2)C1=O ZINC001151065701 781700958 /nfs/dbraw/zinc/70/09/58/781700958.db2.gz NCVVGEILDYYNRN-GHMZBOCLSA-N 2 1 268.361 -1.125 20 0 CAADMP CNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001151065938 781701017 /nfs/dbraw/zinc/70/10/17/781701017.db2.gz OKLIUMFEYNTBGC-ZJUUUORDSA-N 2 1 256.350 -1.222 20 0 CAADMP C[N@H+]1CC[C@H](C(=O)NCC[NH2+]CCn2cncn2)C1 ZINC001151066164 781701222 /nfs/dbraw/zinc/70/12/22/781701222.db2.gz REVITZNYIVJOHV-NSHDSACASA-N 2 1 266.349 -1.064 20 0 CAADMP C[N@@H+]1CCO[C@@H](C(=O)N2CC[C@@H]([NH2+]CCCO)C2)C1 ZINC001181822657 781701444 /nfs/dbraw/zinc/70/14/44/781701444.db2.gz SWLCPCVOHZYXHG-VXGBXAGGSA-N 2 1 271.361 -1.110 20 0 CAADMP C[N@H+]1CCO[C@@H](C(=O)N2CC[C@@H]([NH2+]CCCO)C2)C1 ZINC001181822657 781701450 /nfs/dbraw/zinc/70/14/50/781701450.db2.gz SWLCPCVOHZYXHG-VXGBXAGGSA-N 2 1 271.361 -1.110 20 0 CAADMP CN1CC[C@@H]([NH2+]CCNC(=O)[C@H]2CC[N@@H+](C)C2)C1=O ZINC001151065706 781701893 /nfs/dbraw/zinc/70/18/93/781701893.db2.gz NCVVGEILDYYNRN-WDEREUQCSA-N 2 1 268.361 -1.125 20 0 CAADMP C[N@H+]1CC[C@@H](C(=O)NCC[NH2+]CCn2cncn2)C1 ZINC001151066163 781702052 /nfs/dbraw/zinc/70/20/52/781702052.db2.gz REVITZNYIVJOHV-LLVKDONJSA-N 2 1 266.349 -1.064 20 0 CAADMP CN1CC[C@H]([NH2+]CCNC(=O)[C@@H]2CC[N@@H+](C)C2)C1=O ZINC001151065703 781702181 /nfs/dbraw/zinc/70/21/81/781702181.db2.gz NCVVGEILDYYNRN-MNOVXSKESA-N 2 1 268.361 -1.125 20 0 CAADMP CC(C)[N@@H+]1CC[C@H](C(=O)N2CN[C@H]([NH3+])[C@H]3NCN[C@H]32)C1 ZINC001181983533 781703107 /nfs/dbraw/zinc/70/31/07/781703107.db2.gz QSHLUFCWKXHXOM-USZNOCQGSA-N 2 1 282.392 -1.764 20 0 CAADMP CC(C)[N@H+]1CC[C@H](C(=O)N2CN[C@H]([NH3+])[C@H]3NCN[C@H]32)C1 ZINC001181983533 781703109 /nfs/dbraw/zinc/70/31/09/781703109.db2.gz QSHLUFCWKXHXOM-USZNOCQGSA-N 2 1 282.392 -1.764 20 0 CAADMP C[NH+]1CCC(O)(C(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@H]32)CC1 ZINC001182036959 781705234 /nfs/dbraw/zinc/70/52/34/781705234.db2.gz OJBNNFDFWNIKMX-GUBZILKMSA-N 2 1 284.364 -3.038 20 0 CAADMP C[NH+]1CCC(O)(C(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@@H]32)CC1 ZINC001182036961 781705342 /nfs/dbraw/zinc/70/53/42/781705342.db2.gz OJBNNFDFWNIKMX-LPEHRKFASA-N 2 1 284.364 -3.038 20 0 CAADMP [NH3+][C@@H]1NCN(C(=O)[C@@H]2CCC[N@@H+]2CC2CC2)[C@@H]2NCN[C@H]21 ZINC001182560559 781724157 /nfs/dbraw/zinc/72/41/57/781724157.db2.gz ICKQFXYIKSSLNF-RVMXOQNASA-N 2 1 294.403 -1.620 20 0 CAADMP [NH3+][C@@H]1NCN(C(=O)[C@@H]2CCC[N@H+]2CC2CC2)[C@@H]2NCN[C@H]21 ZINC001182560559 781724164 /nfs/dbraw/zinc/72/41/64/781724164.db2.gz ICKQFXYIKSSLNF-RVMXOQNASA-N 2 1 294.403 -1.620 20 0 CAADMP [NH3+][C@@H]1NCN(C(=O)C23CCC[NH+]2CCC3)[C@@H]2NCN[C@@H]21 ZINC001183563180 781744851 /nfs/dbraw/zinc/74/48/51/781744851.db2.gz SOWJMYCAURUGPH-MXWKQRLJSA-N 2 1 280.376 -1.866 20 0 CAADMP [NH3+][C@@H]1NCN(C(=O)C23CCC[NH+]2CCC3)[C@H]2NCN[C@H]21 ZINC001183563179 781745076 /nfs/dbraw/zinc/74/50/76/781745076.db2.gz SOWJMYCAURUGPH-HBNTYKKESA-N 2 1 280.376 -1.866 20 0 CAADMP CN1CC[N@H+](C)C[C@@H]1C(=O)N(CC[NH3+])S(C)(=O)=O ZINC001185246074 781776704 /nfs/dbraw/zinc/77/67/04/781776704.db2.gz ZGMRAMKWSMGJSW-SECBINFHSA-N 2 1 278.378 -2.021 20 0 CAADMP CN1CC[N@@H+](C)C[C@@H]1C(=O)N(CC[NH3+])S(C)(=O)=O ZINC001185246074 781776707 /nfs/dbraw/zinc/77/67/07/781776707.db2.gz ZGMRAMKWSMGJSW-SECBINFHSA-N 2 1 278.378 -2.021 20 0 CAADMP CN1CC[N@H+](C)C[C@@H]1C(=O)N(CCCC[NH3+])C(N)=[NH2+] ZINC001185263719 781778365 /nfs/dbraw/zinc/77/83/65/781778365.db2.gz VFEBJIAMVUDNCO-SNVBAGLBSA-N 3 1 270.381 -1.307 20 0 CAADMP CN1CC[N@@H+](C)C[C@@H]1C(=O)N(CCCC[NH3+])C(N)=[NH2+] ZINC001185263719 781778373 /nfs/dbraw/zinc/77/83/73/781778373.db2.gz VFEBJIAMVUDNCO-SNVBAGLBSA-N 3 1 270.381 -1.307 20 0 CAADMP CN1CC[N@@H+](C)C[C@@H]1C(=O)n1cnc(C[NH3+])cc1=N ZINC001185261340 781779175 /nfs/dbraw/zinc/77/91/75/781779175.db2.gz FGAKUFKSJOQSCH-SNVBAGLBSA-N 2 1 264.333 -1.293 20 0 CAADMP CN1CC[N@@H+](C)C[C@@H]1C(=O)NC1(CO)CC[NH+](C)CC1 ZINC001185268573 781781232 /nfs/dbraw/zinc/78/12/32/781781232.db2.gz DIBYXVWVAPEUGQ-GFCCVEGCSA-N 2 1 284.404 -1.195 20 0 CAADMP CCOC(=O)CN(CC[NH3+])C(=O)[C@@H]1C[N@@H+](C)CCN1C ZINC001185267236 781781513 /nfs/dbraw/zinc/78/15/13/781781513.db2.gz PRKYKKAWPXODJT-NSHDSACASA-N 2 1 286.376 -1.417 20 0 CAADMP CN1CC[N@@H+](C)C[C@H]1C(=O)n1cc(C[NH3+])cnc1=N ZINC001185267307 781781939 /nfs/dbraw/zinc/78/19/39/781781939.db2.gz RBKBYDPFZOVQSB-JTQLQIEISA-N 2 1 264.333 -1.293 20 0 CAADMP CN1CC[N@@H+](C)C[C@@H]1C(=O)n1cc(C[NH3+])cnc1=N ZINC001185267308 781782480 /nfs/dbraw/zinc/78/24/80/781782480.db2.gz RBKBYDPFZOVQSB-SNVBAGLBSA-N 2 1 264.333 -1.293 20 0 CAADMP C[NH+](C)C[C@H]1COCCN1C(=O)C[N@@H+]1CC[C@H](O)C1 ZINC001186044806 781793084 /nfs/dbraw/zinc/79/30/84/781793084.db2.gz KSKWXFCIDLHJNI-RYUDHWBXSA-N 2 1 271.361 -1.158 20 0 CAADMP C[NH+](C)C[C@H]1COCCN1C(=O)C[N@H+]1CC[C@H](O)C1 ZINC001186044806 781793090 /nfs/dbraw/zinc/79/30/90/781793090.db2.gz KSKWXFCIDLHJNI-RYUDHWBXSA-N 2 1 271.361 -1.158 20 0 CAADMP C[NH+](C)C[C@@H]1COCCN1C(=O)C[N@@H+]1CC[C@H](O)C1 ZINC001186044804 781793975 /nfs/dbraw/zinc/79/39/75/781793975.db2.gz KSKWXFCIDLHJNI-NEPJUHHUSA-N 2 1 271.361 -1.158 20 0 CAADMP C[NH+](C)C[C@@H]1COCCN1C(=O)C[N@H+]1CC[C@H](O)C1 ZINC001186044804 781793980 /nfs/dbraw/zinc/79/39/80/781793980.db2.gz KSKWXFCIDLHJNI-NEPJUHHUSA-N 2 1 271.361 -1.158 20 0 CAADMP Cc1ncc(C[NH3+])c(=N)n1C(=O)C[N@@H+]1CC[C@H](O)C1 ZINC001186048696 781797304 /nfs/dbraw/zinc/79/73/04/781797304.db2.gz HUNHQVQEWOIEAS-JTQLQIEISA-N 2 1 265.317 -1.164 20 0 CAADMP Cc1ncc(C[NH3+])c(=N)n1C(=O)C[N@H+]1CC[C@H](O)C1 ZINC001186048696 781797309 /nfs/dbraw/zinc/79/73/09/781797309.db2.gz HUNHQVQEWOIEAS-JTQLQIEISA-N 2 1 265.317 -1.164 20 0 CAADMP C[N@@H+]1CCCN(CCNC(=O)C[NH+]2CC[C@@H](O)C2)CC1 ZINC001186054960 781798024 /nfs/dbraw/zinc/79/80/24/781798024.db2.gz JWCDLWBQXWJXQH-CYBMUJFWSA-N 2 1 284.404 -1.193 20 0 CAADMP C[N@H+]1CCCN(CCNC(=O)C[NH+]2CC[C@@H](O)C2)CC1 ZINC001186054960 781798031 /nfs/dbraw/zinc/79/80/31/781798031.db2.gz JWCDLWBQXWJXQH-CYBMUJFWSA-N 2 1 284.404 -1.193 20 0 CAADMP C[NH+]1CCCN(CCNC(=O)C[N@@H+]2CC[C@@H](O)C2)CC1 ZINC001186054960 781798037 /nfs/dbraw/zinc/79/80/37/781798037.db2.gz JWCDLWBQXWJXQH-CYBMUJFWSA-N 2 1 284.404 -1.193 20 0 CAADMP C[NH+]1CCCN(CCNC(=O)C[N@H+]2CC[C@@H](O)C2)CC1 ZINC001186054960 781798046 /nfs/dbraw/zinc/79/80/46/781798046.db2.gz JWCDLWBQXWJXQH-CYBMUJFWSA-N 2 1 284.404 -1.193 20 0 CAADMP CCOC(=O)CN(CC[NH3+])C(=O)C[N@@H+]1CC[C@@H](O)C1 ZINC001186054156 781799076 /nfs/dbraw/zinc/79/90/76/781799076.db2.gz BMLOQVPFYPPRPY-SNVBAGLBSA-N 2 1 273.333 -1.597 20 0 CAADMP CCOC(=O)CN(CC[NH3+])C(=O)C[N@H+]1CC[C@@H](O)C1 ZINC001186054156 781799083 /nfs/dbraw/zinc/79/90/83/781799083.db2.gz BMLOQVPFYPPRPY-SNVBAGLBSA-N 2 1 273.333 -1.597 20 0 CAADMP [NH3+]CCN(CCNC(=O)C[N@@H+]1CC[C@@H](O)C1)N(O)N=O ZINC001186054103 781799696 /nfs/dbraw/zinc/79/96/96/781799696.db2.gz ATOQJCIUYPRCJC-SECBINFHSA-N 2 1 290.324 -2.283 20 0 CAADMP [NH3+]CCN(CCNC(=O)C[N@H+]1CC[C@@H](O)C1)N(O)N=O ZINC001186054103 781799706 /nfs/dbraw/zinc/79/97/06/781799706.db2.gz ATOQJCIUYPRCJC-SECBINFHSA-N 2 1 290.324 -2.283 20 0 CAADMP COC(=O)[C@H]1CC[N@H+](CC(=O)N[C@H]2CC[NH2+]C2)C1 ZINC001186115931 781800733 /nfs/dbraw/zinc/80/07/33/781800733.db2.gz PIBPHGHAKCTUTH-UWVGGRQHSA-N 2 1 255.318 -1.041 20 0 CAADMP COC(=O)[C@H]1CC[N@@H+](CC(=O)N[C@H]2CC[NH2+]C2)C1 ZINC001186115931 781800745 /nfs/dbraw/zinc/80/07/45/781800745.db2.gz PIBPHGHAKCTUTH-UWVGGRQHSA-N 2 1 255.318 -1.041 20 0 CAADMP COC(=O)[C@H]1CC[N@H+](CC(=O)N(CCCC[NH3+])C(N)=[NH2+])C1 ZINC001186116064 781800797 /nfs/dbraw/zinc/80/07/97/781800797.db2.gz SMRYENZWKDTEOE-JTQLQIEISA-N 3 1 299.375 -1.058 20 0 CAADMP COC(=O)[C@H]1CC[N@@H+](CC(=O)N(CCCC[NH3+])C(N)=[NH2+])C1 ZINC001186116064 781800810 /nfs/dbraw/zinc/80/08/10/781800810.db2.gz SMRYENZWKDTEOE-JTQLQIEISA-N 3 1 299.375 -1.058 20 0 CAADMP COC(=O)[C@H]1CC[N@H+](CC(=O)n2cnc(C[NH3+])cc2=N)C1 ZINC001186115689 781800831 /nfs/dbraw/zinc/80/08/31/781800831.db2.gz IWAKIGDARLMLSY-VIFPVBQESA-N 2 1 293.327 -1.044 20 0 CAADMP COC(=O)[C@H]1CC[N@@H+](CC(=O)n2cnc(C[NH3+])cc2=N)C1 ZINC001186115689 781800840 /nfs/dbraw/zinc/80/08/40/781800840.db2.gz IWAKIGDARLMLSY-VIFPVBQESA-N 2 1 293.327 -1.044 20 0 CAADMP COC(=O)[C@H]1CC[N@H+](CC(=O)n2cc(C[NH3+])cnc2=N)C1 ZINC001186116523 781802247 /nfs/dbraw/zinc/80/22/47/781802247.db2.gz FYXBHKBITXITMZ-JTQLQIEISA-N 2 1 293.327 -1.044 20 0 CAADMP COC(=O)[C@H]1CC[N@@H+](CC(=O)n2cc(C[NH3+])cnc2=N)C1 ZINC001186116523 781802256 /nfs/dbraw/zinc/80/22/56/781802256.db2.gz FYXBHKBITXITMZ-JTQLQIEISA-N 2 1 293.327 -1.044 20 0 CAADMP COC(=O)[C@H]1CC[N@H+](CC(=O)NCC[NH2+]CCO)C1 ZINC001186115630 781803010 /nfs/dbraw/zinc/80/30/10/781803010.db2.gz GVPGVUQEMTXWDA-JTQLQIEISA-N 2 1 273.333 -1.821 20 0 CAADMP COC(=O)[C@H]1CC[N@@H+](CC(=O)NCC[NH2+]CCO)C1 ZINC001186115630 781803016 /nfs/dbraw/zinc/80/30/16/781803016.db2.gz GVPGVUQEMTXWDA-JTQLQIEISA-N 2 1 273.333 -1.821 20 0 CAADMP C[N@@H+]1CCC[C@H](C(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@@H]32)C1 ZINC001186370134 781803703 /nfs/dbraw/zinc/80/37/03/781803703.db2.gz QODLMWIMADVFAT-XWLWVQCSSA-N 2 1 268.365 -2.153 20 0 CAADMP C[N@H+]1CCC[C@H](C(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@@H]32)C1 ZINC001186370134 781803710 /nfs/dbraw/zinc/80/37/10/781803710.db2.gz QODLMWIMADVFAT-XWLWVQCSSA-N 2 1 268.365 -2.153 20 0 CAADMP C[N@H+]1CC[C@H](C(=O)N2CC[C@@H]([NH2+]CC(=O)NC(N)=O)C2)C1 ZINC001187825540 781830671 /nfs/dbraw/zinc/83/06/71/781830671.db2.gz PNROHNFLBDHSQH-VHSXEESVSA-N 2 1 297.359 -1.677 20 0 CAADMP C[N@H+]1CC[C@@H](C(=O)N2CC[C@@H]([NH2+]CC(=O)NC(N)=O)C2)C1 ZINC001187825539 781831034 /nfs/dbraw/zinc/83/10/34/781831034.db2.gz PNROHNFLBDHSQH-NXEZZACHSA-N 2 1 297.359 -1.677 20 0 CAADMP CC[N@@H+]1CCO[C@H](C(=O)NCC[NH2+]Cc2cnnn2C)C1 ZINC001151748721 781851640 /nfs/dbraw/zinc/85/16/40/781851640.db2.gz JFLDHLUEGDNWLR-LBPRGKRZSA-N 2 1 296.375 -1.258 20 0 CAADMP CC[N@H+]1CCO[C@H](C(=O)NCC[NH2+]Cc2cnnn2C)C1 ZINC001151748721 781851644 /nfs/dbraw/zinc/85/16/44/781851644.db2.gz JFLDHLUEGDNWLR-LBPRGKRZSA-N 2 1 296.375 -1.258 20 0 CAADMP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H](CO)[NH2+]CC(N)=O ZINC001425835826 890829754 /nfs/dbraw/zinc/82/97/54/890829754.db2.gz ARVJMIFYROPFAC-GHMZBOCLSA-N 2 1 286.376 -1.587 20 0 CAADMP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@H](CO)[NH2+]CC(N)=O ZINC001425835826 890829766 /nfs/dbraw/zinc/82/97/66/890829766.db2.gz ARVJMIFYROPFAC-GHMZBOCLSA-N 2 1 286.376 -1.587 20 0 CAADMP C[NH+]1CCN(C(=O)CN2C[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000090322449 883985013 /nfs/dbraw/zinc/98/50/13/883985013.db2.gz OBYIJZHBXHAYIC-TXEJJXNPSA-N 2 1 252.362 -1.088 20 0 CAADMP CC[C@H](C(=O)N[C@@H]1[C@H]2C[N@H+](CC(N)=O)C[C@H]21)[NH+](C)C ZINC001114463347 884044158 /nfs/dbraw/zinc/04/41/58/884044158.db2.gz HPPWYWLJZRPQLB-KLBPJQLPSA-N 2 1 268.361 -1.142 20 0 CAADMP CC[C@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(N)=O)C[C@H]21)[NH+](C)C ZINC001114463347 884044170 /nfs/dbraw/zinc/04/41/70/884044170.db2.gz HPPWYWLJZRPQLB-KLBPJQLPSA-N 2 1 268.361 -1.142 20 0 CAADMP C[NH+](C)CC1(O)CCN(c2nc(N)nc(N)[nH+]2)CC1 ZINC001307178390 884120985 /nfs/dbraw/zinc/12/09/85/884120985.db2.gz ZJLFVVJTKLHPKS-UHFFFAOYSA-N 2 1 267.337 -1.071 20 0 CAADMP CC[N@@H+]1CCO[C@@H](C(=O)N(C)CC[NH2+]CC(=O)NC)C1 ZINC001317662771 884236667 /nfs/dbraw/zinc/23/66/67/884236667.db2.gz ARQJXSQHJWDNDA-LLVKDONJSA-N 2 1 286.376 -1.499 20 0 CAADMP CC[N@H+]1CCO[C@@H](C(=O)N(C)CC[NH2+]CC(=O)NC)C1 ZINC001317662771 884236681 /nfs/dbraw/zinc/23/66/81/884236681.db2.gz ARQJXSQHJWDNDA-LLVKDONJSA-N 2 1 286.376 -1.499 20 0 CAADMP C[N@H+]1CC[C@H](CNC(=O)CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC001326026141 884761089 /nfs/dbraw/zinc/76/10/89/884761089.db2.gz CBCFULCKPFLZDE-GHMZBOCLSA-N 2 1 268.361 -1.078 20 0 CAADMP C[N@@H+](C[C@H](O)C[NH2+]C[C@H](O)Cn1ccnn1)C1CC1 ZINC001326520235 884803862 /nfs/dbraw/zinc/80/38/62/884803862.db2.gz ZDCHIRQSJRNMDK-NEPJUHHUSA-N 2 1 269.349 -1.316 20 0 CAADMP C[C@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)CNC(=O)C[NH3+] ZINC001329273596 885086433 /nfs/dbraw/zinc/08/64/33/885086433.db2.gz SDRRHFOOQGXWRS-VHSXEESVSA-N 2 1 256.350 -1.140 20 0 CAADMP Cn1cc(C[N@@H+](C)CCOCC[NH3+])c(=O)n(C)c1=O ZINC001330196775 885182857 /nfs/dbraw/zinc/18/28/57/885182857.db2.gz CGBDQZMXSLGGRD-UHFFFAOYSA-N 2 1 270.333 -1.509 20 0 CAADMP COCC[NH2+][C@H](CO)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001331683917 885311767 /nfs/dbraw/zinc/31/17/67/885311767.db2.gz MNBDZXXMAGEBET-QWRGUYRKSA-N 2 1 259.350 -1.206 20 0 CAADMP C[C@@H](NC(=O)CN1CC[NH2+]CC[NH2+]CC1)C(=O)N(C)C ZINC001332363327 885403586 /nfs/dbraw/zinc/40/35/86/885403586.db2.gz FDMFMNUDCALVAE-LLVKDONJSA-N 2 1 285.392 -1.926 20 0 CAADMP COCC[N@@H+](C)CCNC(=O)N1CCNCC[NH2+]CC1 ZINC001335998745 885643635 /nfs/dbraw/zinc/64/36/35/885643635.db2.gz ABQVFIIQRAXKOA-UHFFFAOYSA-N 2 1 287.408 -1.231 20 0 CAADMP NC(=O)[C@@H]1C[N@H+](C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)CCO1 ZINC001337824439 885722822 /nfs/dbraw/zinc/72/28/22/885722822.db2.gz NUNYFIJDHJETME-GVXVVHGQSA-N 2 1 269.345 -1.059 20 0 CAADMP NC(=O)[C@@H]1C[N@@H+](C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)CCO1 ZINC001337824439 885722835 /nfs/dbraw/zinc/72/28/35/885722835.db2.gz NUNYFIJDHJETME-GVXVVHGQSA-N 2 1 269.345 -1.059 20 0 CAADMP [NH3+][C@H](CO)C(=O)N1CC[NH2+]C[C@H]1c1ccncc1 ZINC001340335627 885803912 /nfs/dbraw/zinc/80/39/12/885803912.db2.gz YUWNNMHCIPEKAV-MNOVXSKESA-N 2 1 250.302 -1.126 20 0 CAADMP [NH3+]C[C@H](O)CC(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC001340738068 885812699 /nfs/dbraw/zinc/81/26/99/885812699.db2.gz DFNRDILCKOETLE-WDEREUQCSA-N 2 1 257.334 -1.371 20 0 CAADMP C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N[C@@H]1C[NH2+]C[C@@H]1O ZINC001341418837 885837219 /nfs/dbraw/zinc/83/72/19/885837219.db2.gz VMIJGOAWEYNKEL-DBIOUOCHSA-N 2 1 254.334 -2.176 20 0 CAADMP C[NH2+][C@H](C(=O)N[C@@H]1C[NH2+]C[C@@H]1O)c1cnn(C)c1 ZINC001342175569 885876168 /nfs/dbraw/zinc/87/61/68/885876168.db2.gz HSCNWCRBNJJLAL-UTLUCORTSA-N 2 1 253.306 -1.871 20 0 CAADMP [NH3+]CCNCC(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC001343353386 885912937 /nfs/dbraw/zinc/91/29/37/885912937.db2.gz DEXMTMFGYOETQO-LBPRGKRZSA-N 2 1 270.377 -1.142 20 0 CAADMP C[C@H](C(=O)N[C@@H]1C[NH2+]C[C@@H]1O)N1CC[NH+](C)CC1 ZINC001344081264 885932192 /nfs/dbraw/zinc/93/21/92/885932192.db2.gz JRLPKOYGHSJWNQ-MXWKQRLJSA-N 2 1 256.350 -1.929 20 0 CAADMP COCC[N@@H+](C)C[C@H](O)CN1C[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC001346428171 886005543 /nfs/dbraw/zinc/00/55/43/886005543.db2.gz VDWWYTYIJJPPSX-GARJFASQSA-N 2 1 285.344 -1.870 20 0 CAADMP C[NH2+]C[C@@H](C)NC(=O)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC001350330988 886163832 /nfs/dbraw/zinc/16/38/32/886163832.db2.gz CDDKNUYUEDNXAA-GHMZBOCLSA-N 2 1 285.392 -1.928 20 0 CAADMP C[NH+]1CCC(NC(=O)C[NH+](CCO)CCO)CC1 ZINC001352887948 886253526 /nfs/dbraw/zinc/25/35/26/886253526.db2.gz NCFRBDKRFUROHX-UHFFFAOYSA-N 2 1 259.350 -1.517 20 0 CAADMP CN1CC[NH+](CCCNC(=O)C2(C[NH3+])CC(O)C2)CC1 ZINC001353581648 886285304 /nfs/dbraw/zinc/28/53/04/886285304.db2.gz LUULELYMEQSSHG-UHFFFAOYSA-N 2 1 284.404 -1.160 20 0 CAADMP C[NH2+]C[C@H](O)[C@H](C)C(=O)N1CCN(C)CC[N@@H+](C)CC1 ZINC001358444736 886427577 /nfs/dbraw/zinc/42/75/77/886427577.db2.gz ONZKETUAYJJXMP-STQMWFEESA-N 2 1 286.420 -1.091 20 0 CAADMP C[NH+](C)CCC(=O)NC[C@H](O)C[NH2+]Cc1ncccn1 ZINC001374644293 887824857 /nfs/dbraw/zinc/82/48/57/887824857.db2.gz VLUKRLABBDODIK-LLVKDONJSA-N 2 1 281.360 -1.005 20 0 CAADMP CC[N@H+]1CCO[C@H](C(=O)NCC[C@@H](C)[NH2+]CC(N)=O)C1 ZINC001377102530 887976575 /nfs/dbraw/zinc/97/65/75/887976575.db2.gz AKWMTDGVWAAVDT-MNOVXSKESA-N 2 1 286.376 -1.323 20 0 CAADMP COC[C@@H](O)C[N@@H+](C)CCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001377259922 887985492 /nfs/dbraw/zinc/98/54/92/887985492.db2.gz FQTODKCVTOEKFS-RYUDHWBXSA-N 2 1 273.377 -1.007 20 0 CAADMP COC[C@@H](O)C[NH+](C)CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001377259922 887985501 /nfs/dbraw/zinc/98/55/01/887985501.db2.gz FQTODKCVTOEKFS-RYUDHWBXSA-N 2 1 273.377 -1.007 20 0 CAADMP COC[C@@H](O)C[NH+](C)CCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001377259922 887985509 /nfs/dbraw/zinc/98/55/09/887985509.db2.gz FQTODKCVTOEKFS-RYUDHWBXSA-N 2 1 273.377 -1.007 20 0 CAADMP C[N@@H+]1CCO[C@H](C(=O)NC[C@H](O)C[NH2+]CC(N)=O)C1 ZINC001379173711 888095288 /nfs/dbraw/zinc/09/52/88/888095288.db2.gz AAMOCLVKEINPJQ-BDAKNGLRSA-N 2 1 274.321 -3.131 20 0 CAADMP C[N@H+]1CCO[C@H](C(=O)NC[C@H](O)C[NH2+]CC(N)=O)C1 ZINC001379173711 888095303 /nfs/dbraw/zinc/09/53/03/888095303.db2.gz AAMOCLVKEINPJQ-BDAKNGLRSA-N 2 1 274.321 -3.131 20 0 CAADMP Cc1[nH+]ccn1CC(=O)NC[C@H](O)C[NH2+][C@@H](C)C(N)=O ZINC001379290074 888117022 /nfs/dbraw/zinc/11/70/22/888117022.db2.gz QNCQVYNBLDDYFJ-WCBMZHEXSA-N 2 1 283.332 -1.868 20 0 CAADMP C[C@@H]([NH2+]CCN(C)C(=O)CC[NH+]1CCOCC1)C(N)=O ZINC001391214133 888618478 /nfs/dbraw/zinc/61/84/78/888618478.db2.gz OGFBZBLNPAMVKN-LLVKDONJSA-N 2 1 286.376 -1.370 20 0 CAADMP CN(C[C@H](O)C[NH+](C)CC(N)=O)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001403898366 889386770 /nfs/dbraw/zinc/38/67/70/889386770.db2.gz QLANZDYUHAOWSZ-MNOVXSKESA-N 2 1 286.376 -1.683 20 0 CAADMP CN(C[C@H](O)C[NH+](C)CC(N)=O)C(=O)[C@@H]1CCC[N@H+]1C ZINC001403898366 889386785 /nfs/dbraw/zinc/38/67/85/889386785.db2.gz QLANZDYUHAOWSZ-MNOVXSKESA-N 2 1 286.376 -1.683 20 0 CAADMP CN(C[C@@H](O)C[N@@H+](C)CC(N)=O)C(=O)[C@@H]1CCC[NH+]1C ZINC001403898370 889387067 /nfs/dbraw/zinc/38/70/67/889387067.db2.gz QLANZDYUHAOWSZ-QWRGUYRKSA-N 2 1 286.376 -1.683 20 0 CAADMP CN(C[C@@H](O)C[NH+](C)CC(N)=O)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001403898370 889387077 /nfs/dbraw/zinc/38/70/77/889387077.db2.gz QLANZDYUHAOWSZ-QWRGUYRKSA-N 2 1 286.376 -1.683 20 0 CAADMP CN(C[C@@H](O)C[NH+](C)CC(N)=O)C(=O)[C@@H]1CCC[N@H+]1C ZINC001403898370 889387084 /nfs/dbraw/zinc/38/70/84/889387084.db2.gz QLANZDYUHAOWSZ-QWRGUYRKSA-N 2 1 286.376 -1.683 20 0 CAADMP CC[N@@H+]1CCO[C@@H](C(=O)N(C)[C@@H](C)C[NH2+]CC(N)=O)C1 ZINC001405899285 889470933 /nfs/dbraw/zinc/47/09/33/889470933.db2.gz QGZLBSVHVAQFLO-WDEREUQCSA-N 2 1 286.376 -1.371 20 0 CAADMP CC[N@H+]1CCO[C@@H](C(=O)N(C)[C@@H](C)C[NH2+]CC(N)=O)C1 ZINC001405899285 889470936 /nfs/dbraw/zinc/47/09/36/889470936.db2.gz QGZLBSVHVAQFLO-WDEREUQCSA-N 2 1 286.376 -1.371 20 0 CAADMP C[N@@H+]1CCO[C@H](C(=O)NC[C@H](O)C[NH2+]CC2CC2)C1 ZINC001406220077 889487584 /nfs/dbraw/zinc/48/75/84/889487584.db2.gz VJJTVAWVXXLATN-NEPJUHHUSA-N 2 1 271.361 -1.206 20 0 CAADMP C[N@H+]1CCO[C@H](C(=O)NC[C@H](O)C[NH2+]CC2CC2)C1 ZINC001406220077 889487596 /nfs/dbraw/zinc/48/75/96/889487596.db2.gz VJJTVAWVXXLATN-NEPJUHHUSA-N 2 1 271.361 -1.206 20 0 CAADMP C[C@H](C[NH2+]Cc1nnnn1C)NC(=O)C[NH+]1CCCC1 ZINC001406438489 889519976 /nfs/dbraw/zinc/51/99/76/889519976.db2.gz ZTRDWXSWYXIOCU-SNVBAGLBSA-N 2 1 281.364 -1.100 20 0 CAADMP C[N@@H+]1CCO[C@H](C(=O)NC[C@H](CO)[NH2+]CC2CC2)C1 ZINC001410575993 889683783 /nfs/dbraw/zinc/68/37/83/889683783.db2.gz FJCINBNRWKEFFP-NEPJUHHUSA-N 2 1 271.361 -1.206 20 0 CAADMP C[N@H+]1CCO[C@H](C(=O)NC[C@H](CO)[NH2+]CC2CC2)C1 ZINC001410575993 889683790 /nfs/dbraw/zinc/68/37/90/889683790.db2.gz FJCINBNRWKEFFP-NEPJUHHUSA-N 2 1 271.361 -1.206 20 0 CAADMP CC(C)(C(=O)NC[C@@H](CO)[NH2+]CC(N)=O)[NH+]1CCCC1 ZINC001410704840 889700769 /nfs/dbraw/zinc/70/07/69/889700769.db2.gz NXSKLFLFEMOSNS-JTQLQIEISA-N 2 1 286.376 -1.587 20 0 CAADMP C[N@H+](C[C@H](O)C[NH+]1C[C@@H](C(N)=O)[C@H](C(N)=O)C1)C1CC1 ZINC001414017370 890038325 /nfs/dbraw/zinc/03/83/25/890038325.db2.gz OBPHUMBKYRELEH-HBNTYKKESA-N 2 1 284.360 -2.040 20 0 CAADMP C[N@@H+](C[C@H](O)C[NH+]1C[C@@H](C(N)=O)[C@H](C(N)=O)C1)C1CC1 ZINC001414017370 890038339 /nfs/dbraw/zinc/03/83/39/890038339.db2.gz OBPHUMBKYRELEH-HBNTYKKESA-N 2 1 284.360 -2.040 20 0 CAADMP C[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)[NH2+]CC(=O)NC(N)=O ZINC001418320156 890208627 /nfs/dbraw/zinc/20/86/27/890208627.db2.gz VJVOPVLUMFDYNY-BDAKNGLRSA-N 2 1 285.348 -1.773 20 0 CAADMP CC[N@@H+](C)CCC(=O)NC[C@H](O)C[NH2+][C@H]1CCNC1=O ZINC001420193045 890410298 /nfs/dbraw/zinc/41/02/98/890410298.db2.gz IFCCHGNFPOAUJH-MNOVXSKESA-N 2 1 286.376 -1.717 20 0 CAADMP C[C@H]1[C@@H]([NH2+]CC(N)=O)CCN1C(=O)CC[NH+]1CCOCC1 ZINC000987191446 884006165 /nfs/dbraw/zinc/00/61/65/884006165.db2.gz LXVURONZQKEUME-RYUDHWBXSA-N 2 1 298.387 -1.227 20 0 CAADMP C[C@@H]1[C@H]([NH2+]CC(N)=O)CCN1C(=O)CC[NH+]1CCOCC1 ZINC000987191452 884007962 /nfs/dbraw/zinc/00/79/62/884007962.db2.gz LXVURONZQKEUME-VXGBXAGGSA-N 2 1 298.387 -1.227 20 0 CAADMP C[N@@H+]1CCO[C@H](C(=O)NC2CCC([NH2+]CC(N)=O)CC2)C1 ZINC001026470609 884012719 /nfs/dbraw/zinc/01/27/19/884012719.db2.gz JKXFJSOJZNXTHG-MCIGGMRASA-N 2 1 298.387 -1.181 20 0 CAADMP C[N@H+]1CCO[C@H](C(=O)NC2CCC([NH2+]CC(N)=O)CC2)C1 ZINC001026470609 884012735 /nfs/dbraw/zinc/01/27/35/884012735.db2.gz JKXFJSOJZNXTHG-MCIGGMRASA-N 2 1 298.387 -1.181 20 0 CAADMP C[N@@H+](CCCNC(=O)[C@@H]1CC[NH+](C)C1)CC(=O)NC(N)=O ZINC001316864736 884159354 /nfs/dbraw/zinc/15/93/54/884159354.db2.gz AVPOTNMXBDGWPJ-SNVBAGLBSA-N 2 1 299.375 -1.429 20 0 CAADMP C[NH+](CCCNC(=O)[C@@H]1CC[N@H+](C)C1)CC(=O)NC(N)=O ZINC001316864736 884159363 /nfs/dbraw/zinc/15/93/63/884159363.db2.gz AVPOTNMXBDGWPJ-SNVBAGLBSA-N 2 1 299.375 -1.429 20 0 CAADMP C[NH+](CCCNC(=O)[C@@H]1CC[N@@H+](C)C1)CC(=O)NC(N)=O ZINC001316864736 884159372 /nfs/dbraw/zinc/15/93/72/884159372.db2.gz AVPOTNMXBDGWPJ-SNVBAGLBSA-N 2 1 299.375 -1.429 20 0 CAADMP CNC(=O)C[NH2+][C@@H](C)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001317228051 884177685 /nfs/dbraw/zinc/17/76/85/884177685.db2.gz DYTYDISRRKQXBZ-UWVGGRQHSA-N 2 1 256.350 -1.079 20 0 CAADMP CN(CC[NH2+]CC(N)=O)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001317578931 884219505 /nfs/dbraw/zinc/21/95/05/884219505.db2.gz RSYJLKMMGLYLFI-SECBINFHSA-N 2 1 258.322 -2.150 20 0 CAADMP CN(CC[NH2+]CC(N)=O)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001317578931 884219525 /nfs/dbraw/zinc/21/95/25/884219525.db2.gz RSYJLKMMGLYLFI-SECBINFHSA-N 2 1 258.322 -2.150 20 0 CAADMP CN(CC[NH2+]CC(=O)NC(N)=O)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001317654096 884233620 /nfs/dbraw/zinc/23/36/20/884233620.db2.gz IATUFJBUEPPTPC-SNVBAGLBSA-N 2 1 299.375 -1.429 20 0 CAADMP CC[N@@H+]1CCO[C@H](C(=O)N(C)CC[NH2+]CC(=O)NC)C1 ZINC001317662772 884238180 /nfs/dbraw/zinc/23/81/80/884238180.db2.gz ARQJXSQHJWDNDA-NSHDSACASA-N 2 1 286.376 -1.499 20 0 CAADMP CC[N@H+]1CCO[C@H](C(=O)N(C)CC[NH2+]CC(=O)NC)C1 ZINC001317662772 884238192 /nfs/dbraw/zinc/23/81/92/884238192.db2.gz ARQJXSQHJWDNDA-NSHDSACASA-N 2 1 286.376 -1.499 20 0 CAADMP C[NH+](C)CCC(=O)N[C@H]1CC[N@@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC001318276708 884265727 /nfs/dbraw/zinc/26/57/27/884265727.db2.gz RBTCOLMCGZAEBA-QWRGUYRKSA-N 2 1 296.371 -1.066 20 0 CAADMP C[NH+](C)CCC(=O)N[C@H]1CC[N@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC001318276708 884265746 /nfs/dbraw/zinc/26/57/46/884265746.db2.gz RBTCOLMCGZAEBA-QWRGUYRKSA-N 2 1 296.371 -1.066 20 0 CAADMP C[NH+](C)CCC(=O)N[C@H]1CC[N@@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001318276710 884267055 /nfs/dbraw/zinc/26/70/55/884267055.db2.gz RBTCOLMCGZAEBA-WDEREUQCSA-N 2 1 296.371 -1.066 20 0 CAADMP C[NH+](C)CCC(=O)N[C@H]1CC[N@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001318276710 884267073 /nfs/dbraw/zinc/26/70/73/884267073.db2.gz RBTCOLMCGZAEBA-WDEREUQCSA-N 2 1 296.371 -1.066 20 0 CAADMP CC[NH2+]C[C@@H](O)CNC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001320315857 884414877 /nfs/dbraw/zinc/41/48/77/884414877.db2.gz VZTBOEFNRITTCX-GHMZBOCLSA-N 2 1 259.350 -1.206 20 0 CAADMP C[C@@H]1[C@H](C(=O)NC[C@@H](O)C[NH2+]CCCO)CC[N@H+]1C ZINC001320228556 884394787 /nfs/dbraw/zinc/39/47/87/884394787.db2.gz ABTHALGJFRUPFB-GRYCIOLGSA-N 2 1 273.377 -1.224 20 0 CAADMP C[C@@H]1[C@H](C(=O)NC[C@H](O)C[NH2+]CCCO)CC[N@H+]1C ZINC001320228557 884395456 /nfs/dbraw/zinc/39/54/56/884395456.db2.gz ABTHALGJFRUPFB-IJLUTSLNSA-N 2 1 273.377 -1.224 20 0 CAADMP CC[NH2+]C[C@@H](O)CNC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001320315857 884414872 /nfs/dbraw/zinc/41/48/72/884414872.db2.gz VZTBOEFNRITTCX-GHMZBOCLSA-N 2 1 259.350 -1.206 20 0 CAADMP CC[NH2+]C[C@H](O)CNC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001320315886 884414815 /nfs/dbraw/zinc/41/48/15/884414815.db2.gz VZTBOEFNRITTCX-QWRGUYRKSA-N 2 1 259.350 -1.206 20 0 CAADMP CC[NH2+]C[C@H](O)CNC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001320315886 884414817 /nfs/dbraw/zinc/41/48/17/884414817.db2.gz VZTBOEFNRITTCX-QWRGUYRKSA-N 2 1 259.350 -1.206 20 0 CAADMP C[C@@H](CC[NH2+]CC(N)=O)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001320641317 884435577 /nfs/dbraw/zinc/43/55/77/884435577.db2.gz WRAOYLOTPFLWQJ-VHSXEESVSA-N 2 1 256.350 -1.092 20 0 CAADMP C[N@H+]1CCC[C@@H]1C(=O)NC/C=C\C[NH2+]CC(=O)NC(N)=O ZINC001321188914 884476769 /nfs/dbraw/zinc/47/67/69/884476769.db2.gz KELCVABUQOSYAE-MXQLGCADSA-N 2 1 297.359 -1.463 20 0 CAADMP C[C@H]([NH2+]C/C=C\CNC(=O)CC[NH+]1CCOCC1)C(N)=O ZINC001321295233 884483587 /nfs/dbraw/zinc/48/35/87/884483587.db2.gz WYVUXTVYDNMYFW-DLGQBQFBSA-N 2 1 298.387 -1.156 20 0 CAADMP O=C(CC[NH+]1CCOCC1)NC/C=C\C[NH2+]CCO ZINC001321293672 884484524 /nfs/dbraw/zinc/48/45/24/884484524.db2.gz JJVNDRLTDONEIY-UPHRSURJSA-N 2 1 271.361 -1.037 20 0 CAADMP CC[N@@H+]1CCO[C@@H](C(=O)NC/C=C\C[NH2+]CC(=O)NC)C1 ZINC001321401626 884493285 /nfs/dbraw/zinc/49/32/85/884493285.db2.gz ALOUDCNWGOTQAF-QMAVJUDZSA-N 2 1 298.387 -1.285 20 0 CAADMP CC[N@H+]1CCO[C@@H](C(=O)NC/C=C\C[NH2+]CC(=O)NC)C1 ZINC001321401626 884493291 /nfs/dbraw/zinc/49/32/91/884493291.db2.gz ALOUDCNWGOTQAF-QMAVJUDZSA-N 2 1 298.387 -1.285 20 0 CAADMP CC[N@@H+]1CCO[C@H](C(=O)NC/C=C/C[NH2+]CC(=O)NC)C1 ZINC001321401625 884494343 /nfs/dbraw/zinc/49/43/43/884494343.db2.gz ALOUDCNWGOTQAF-ITKZLYELSA-N 2 1 298.387 -1.285 20 0 CAADMP CC[N@H+]1CCO[C@H](C(=O)NC/C=C/C[NH2+]CC(=O)NC)C1 ZINC001321401625 884494354 /nfs/dbraw/zinc/49/43/54/884494354.db2.gz ALOUDCNWGOTQAF-ITKZLYELSA-N 2 1 298.387 -1.285 20 0 CAADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@H](C)C[NH2+]CCO)C1 ZINC001321751516 884515601 /nfs/dbraw/zinc/51/56/01/884515601.db2.gz XORXXCJPPJMYNL-MNOVXSKESA-N 2 1 259.350 -1.206 20 0 CAADMP CC[N@H+]1CCO[C@H](C(=O)N[C@H](C)C[NH2+]CCO)C1 ZINC001321751516 884515604 /nfs/dbraw/zinc/51/56/04/884515604.db2.gz XORXXCJPPJMYNL-MNOVXSKESA-N 2 1 259.350 -1.206 20 0 CAADMP OC(CN1C[C@H]2C[NH2+]C[C@H]2C1)C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001322106988 884536501 /nfs/dbraw/zinc/53/65/01/884536501.db2.gz MVJNTSCNMZCKFT-KPWCQOOUSA-N 3 1 280.416 -1.350 20 0 CAADMP OC(CN1C[C@H]2C[NH2+]C[C@H]2C1)CN1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001322106988 884536517 /nfs/dbraw/zinc/53/65/17/884536517.db2.gz MVJNTSCNMZCKFT-KPWCQOOUSA-N 2 1 280.416 -1.350 20 0 CAADMP O[C@H](CN1C[C@@H]2C[NH2+]C[C@H]2C1)C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001322106987 884538140 /nfs/dbraw/zinc/53/81/40/884538140.db2.gz MVJNTSCNMZCKFT-BTFPBAQTSA-N 3 1 280.416 -1.350 20 0 CAADMP O[C@H](CN1C[C@@H]2C[NH2+]C[C@H]2C1)C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001322106987 884538130 /nfs/dbraw/zinc/53/81/30/884538130.db2.gz MVJNTSCNMZCKFT-BTFPBAQTSA-N 2 1 280.416 -1.350 20 0 CAADMP O[C@@H](CN1C[C@H]2C[NH2+]C[C@H]2C1)CN1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC001322106987 884538150 /nfs/dbraw/zinc/53/81/50/884538150.db2.gz MVJNTSCNMZCKFT-BTFPBAQTSA-N 2 1 280.416 -1.350 20 0 CAADMP C[N@H+]1CCCC[C@H]1C(=O)N(CCO)CC[NH2+]CC(N)=O ZINC001326073735 884766651 /nfs/dbraw/zinc/76/66/51/884766651.db2.gz LIUVBVDLGJZUHJ-NSHDSACASA-N 2 1 286.376 -1.634 20 0 CAADMP C[N@H+](C[C@H](O)C[NH2+]C[C@H](O)Cn1ccnn1)C1CC1 ZINC001326520235 884803847 /nfs/dbraw/zinc/80/38/47/884803847.db2.gz ZDCHIRQSJRNMDK-NEPJUHHUSA-N 2 1 269.349 -1.316 20 0 CAADMP CC[NH+]1CCN(CCNC(=O)CN2CC[NH+](C)CC2)CC1 ZINC001326839871 884838372 /nfs/dbraw/zinc/83/83/72/884838372.db2.gz BMPLPSJRBPIUGB-UHFFFAOYSA-N 2 1 297.447 -1.013 20 0 CAADMP O=C(C[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1)N1CC[NH2+]CC1 ZINC001327088812 884860821 /nfs/dbraw/zinc/86/08/21/884860821.db2.gz CVYUQLDDUMUTCX-CYBMUJFWSA-N 3 1 281.404 -1.602 20 0 CAADMP O=C(CN1CC[C@@H](N2CC[NH2+]CC2)C1)N1CC[NH2+]CC1 ZINC001327088812 884860833 /nfs/dbraw/zinc/86/08/33/884860833.db2.gz CVYUQLDDUMUTCX-CYBMUJFWSA-N 2 1 281.404 -1.602 20 0 CAADMP CNC(=O)[C@H]1C[N@H+](CCN2CC[NH2+]CC2)CCO1 ZINC001327090296 884861088 /nfs/dbraw/zinc/86/10/88/884861088.db2.gz VBDLMWZOAQTSLS-LLVKDONJSA-N 2 1 256.350 -1.662 20 0 CAADMP CNC(=O)[C@H]1C[N@@H+](CCN2CC[NH2+]CC2)CCO1 ZINC001327090296 884861099 /nfs/dbraw/zinc/86/10/99/884861099.db2.gz VBDLMWZOAQTSLS-LLVKDONJSA-N 2 1 256.350 -1.662 20 0 CAADMP [NH3+]CC(=O)NCC(=O)NCC[N@H+]1CCCOCC1 ZINC001327106786 884863709 /nfs/dbraw/zinc/86/37/09/884863709.db2.gz HHCHPESWNWLWRZ-UHFFFAOYSA-N 2 1 258.322 -2.100 20 0 CAADMP Cn1ccnc1[C@@H]1C[NH2+]CCN1C(=O)COCC[NH3+] ZINC001327120106 884864779 /nfs/dbraw/zinc/86/47/79/884864779.db2.gz ASEYXOXNFXJTJJ-JTQLQIEISA-N 2 1 267.333 -1.132 20 0 CAADMP CN(CCC[NH3+])C(=O)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC001327470595 884890134 /nfs/dbraw/zinc/89/01/34/884890134.db2.gz FEBWIUYESUDYMA-LLVKDONJSA-N 2 1 285.392 -1.844 20 0 CAADMP C([C@H]1CNCCO1)[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC001327597713 884909440 /nfs/dbraw/zinc/90/94/40/884909440.db2.gz SPCWAUFUVUUCRF-QWHCGFSZSA-N 3 1 254.378 -1.046 20 0 CAADMP C([C@H]1C[NH2+]CCO1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC001327597713 884909458 /nfs/dbraw/zinc/90/94/58/884909458.db2.gz SPCWAUFUVUUCRF-QWHCGFSZSA-N 3 1 254.378 -1.046 20 0 CAADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C1=NO[C@H](C[NH3+])C1 ZINC001327929142 884940908 /nfs/dbraw/zinc/94/09/08/884940908.db2.gz OAJOFZMTEKMFFB-UWVGGRQHSA-N 2 1 269.349 -1.548 20 0 CAADMP C[N@H+]1CC[C@H](C(=O)N2CCC(O)(C[NH2+]CCO)CC2)C1 ZINC001328217649 884961469 /nfs/dbraw/zinc/96/14/69/884961469.db2.gz KMAGRISYSWRXHS-LBPRGKRZSA-N 2 1 285.388 -1.127 20 0 CAADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)CNC(=O)C[NH3+] ZINC001329273597 885084822 /nfs/dbraw/zinc/08/48/22/885084822.db2.gz SDRRHFOOQGXWRS-ZJUUUORDSA-N 2 1 256.350 -1.140 20 0 CAADMP C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC001329466331 885105830 /nfs/dbraw/zinc/10/58/30/885105830.db2.gz AMCMZNOAEGKOFD-QJPTWQEYSA-N 2 1 299.419 -1.410 20 0 CAADMP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC001329466332 885107921 /nfs/dbraw/zinc/10/79/21/885107921.db2.gz AMCMZNOAEGKOFD-SDDRHHMPSA-N 2 1 299.419 -1.410 20 0 CAADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](CCN2CC[NH2+]CC2)C1 ZINC001329490446 885110946 /nfs/dbraw/zinc/11/09/46/885110946.db2.gz LMPDNWKNBOELKU-CYBMUJFWSA-N 3 1 283.420 -1.322 20 0 CAADMP O=C(CC[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1)N1CC[NH2+]CC1 ZINC001329498688 885111016 /nfs/dbraw/zinc/11/10/16/885111016.db2.gz HCUGNFCTEWQREG-CQSZACIVSA-N 2 1 295.431 -1.212 20 0 CAADMP O=C(CC[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1)N1CCNCC1 ZINC001329498688 885111020 /nfs/dbraw/zinc/11/10/20/885111020.db2.gz HCUGNFCTEWQREG-CQSZACIVSA-N 2 1 295.431 -1.212 20 0 CAADMP O=C(CC[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1)N1CCNCC1 ZINC001329498688 885111025 /nfs/dbraw/zinc/11/10/25/885111025.db2.gz HCUGNFCTEWQREG-CQSZACIVSA-N 2 1 295.431 -1.212 20 0 CAADMP [NH3+]C[C@@H]1CCN(C(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)C1 ZINC001329974608 885163061 /nfs/dbraw/zinc/16/30/61/885163061.db2.gz VUBDOVWBPLLHKN-SDDRHHMPSA-N 2 1 296.371 -1.929 20 0 CAADMP C[C@H]([NH3+])CN(C)C(=O)C(=O)N1C[C@@H]2CC[N@@H+](C)[C@@H]2C1 ZINC001330214964 885182798 /nfs/dbraw/zinc/18/27/98/885182798.db2.gz OBOHUEQHLHXIKP-GARJFASQSA-N 2 1 268.361 -1.046 20 0 CAADMP CN1CC[NH+](CCCNC(=O)C2=NO[C@H](C[NH3+])C2)CC1 ZINC001330592288 885209491 /nfs/dbraw/zinc/20/94/91/885209491.db2.gz PAJDWBOQWSFHRW-NSHDSACASA-N 2 1 283.376 -1.156 20 0 CAADMP CN1CC[NH+](CCCNC(=O)C2=NO[C@@H](C[NH3+])C2)CC1 ZINC001330592287 885209980 /nfs/dbraw/zinc/20/99/80/885209980.db2.gz PAJDWBOQWSFHRW-LLVKDONJSA-N 2 1 283.376 -1.156 20 0 CAADMP C[N@H+]1CC[C@@H]2CN(C(=O)CNC(=O)C[NH3+])CC[C@@H]21 ZINC001330649297 885214378 /nfs/dbraw/zinc/21/43/78/885214378.db2.gz XQHMSUIUCDCEQF-ZJUUUORDSA-N 2 1 254.334 -1.386 20 0 CAADMP C[C@H]([NH3+])CCNC(=O)C(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001330859135 885234314 /nfs/dbraw/zinc/23/43/14/885234314.db2.gz BLTUTGXUXJULPP-SRVKXCTJSA-N 2 1 298.387 -1.181 20 0 CAADMP C[C@H]([NH3+])CCNC(=O)C(=O)NCCC[NH+]1CCOCC1 ZINC001330860903 885238775 /nfs/dbraw/zinc/23/87/75/885238775.db2.gz SRYHSDXJCMIFEQ-NSHDSACASA-N 2 1 286.376 -1.322 20 0 CAADMP CN1CCN(C(=O)C[N@@H+](C)C[C@H]2CNC(=O)C2)CC1 ZINC001331142509 885252940 /nfs/dbraw/zinc/25/29/40/885252940.db2.gz BSPYBWKIZMSDLB-LLVKDONJSA-N 2 1 268.361 -1.172 20 0 CAADMP CN(C)c1[nH+]cc(CNC(=O)C(=O)N[C@@H]2CC[NH2+]C2)n1C ZINC001331572851 885286759 /nfs/dbraw/zinc/28/67/59/885286759.db2.gz LYZWQBNOSXLEHR-SECBINFHSA-N 2 1 294.359 -1.420 20 0 CAADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)N1CCC[C@@H]1C[NH3+] ZINC001331588169 885291480 /nfs/dbraw/zinc/29/14/80/885291480.db2.gz ZBCXIULOALJEPD-NEPJUHHUSA-N 2 1 297.403 -1.702 20 0 CAADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)N1CCC[C@@H]1C[NH3+] ZINC001331588171 885293290 /nfs/dbraw/zinc/29/32/90/885293290.db2.gz ZBCXIULOALJEPD-VXGBXAGGSA-N 2 1 297.403 -1.702 20 0 CAADMP COCC[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001331683915 885307866 /nfs/dbraw/zinc/30/78/66/885307866.db2.gz MNBDZXXMAGEBET-MNOVXSKESA-N 2 1 259.350 -1.206 20 0 CAADMP C[C@@H]([NH3+])CN(C)C(=O)C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC001331731440 885326745 /nfs/dbraw/zinc/32/67/45/885326745.db2.gz MWDSRFSWZAOGFW-MNOVXSKESA-N 2 1 285.392 -1.846 20 0 CAADMP C[C@@H]([NH3+])CN(C)C(=O)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC001331731439 885329248 /nfs/dbraw/zinc/32/92/48/885329248.db2.gz MWDSRFSWZAOGFW-GHMZBOCLSA-N 2 1 285.392 -1.846 20 0 CAADMP Cc1[nH+]ccn1CC(=O)NC[C@@H](CO)[NH2+]CCCO ZINC001331834239 885356464 /nfs/dbraw/zinc/35/64/64/885356464.db2.gz GMGYFDCLFZYJAO-NSHDSACASA-N 2 1 270.333 -1.359 20 0 CAADMP [NH3+][C@H]1C[C@@H](CNC(=O)C(=O)NCCC[NH+]2CCOCC2)C1 ZINC001332288227 885396425 /nfs/dbraw/zinc/39/64/25/885396425.db2.gz QUDKNKTYBNPHPR-TXEJJXNPSA-N 2 1 298.387 -1.322 20 0 CAADMP C[C@H](NC(=O)C(=O)NC[C@H]1C[C@H]([NH3+])C1)[C@@H]1C[N@H+](C)CCO1 ZINC001332287307 885396657 /nfs/dbraw/zinc/39/66/57/885396657.db2.gz GQQKVTHYUBFBAB-BJDJZHNGSA-N 2 1 298.387 -1.325 20 0 CAADMP C[C@H](NC(=O)C(=O)NC[C@H]1C[C@H]([NH3+])C1)[C@@H]1C[N@@H+](C)CCO1 ZINC001332287307 885396673 /nfs/dbraw/zinc/39/66/73/885396673.db2.gz GQQKVTHYUBFBAB-BJDJZHNGSA-N 2 1 298.387 -1.325 20 0 CAADMP C[C@@H](NC(=O)C(=O)NC[C@H]1C[C@H]([NH3+])C1)[C@H]1C[N@H+](C)CCO1 ZINC001332287308 885398163 /nfs/dbraw/zinc/39/81/63/885398163.db2.gz GQQKVTHYUBFBAB-DDHJBXDOSA-N 2 1 298.387 -1.325 20 0 CAADMP C[C@@H](NC(=O)C(=O)NC[C@H]1C[C@H]([NH3+])C1)[C@H]1C[N@@H+](C)CCO1 ZINC001332287308 885398178 /nfs/dbraw/zinc/39/81/78/885398178.db2.gz GQQKVTHYUBFBAB-DDHJBXDOSA-N 2 1 298.387 -1.325 20 0 CAADMP CN1C(=O)[C@H]2C[N@H+]([C@H]3C[C@H]([NH3+])C[C@@H]3O)C[C@H]2C1=O ZINC001332333873 885401249 /nfs/dbraw/zinc/40/12/49/885401249.db2.gz FNBUHEAPOMWNJY-CIQUZCHMSA-N 2 1 253.302 -1.616 20 0 CAADMP C[C@@H]1CC[N@@H+](CC(=O)N(C)C[C@@H](O)C[NH2+]CCO)C1 ZINC001332566302 885421427 /nfs/dbraw/zinc/42/14/27/885421427.db2.gz NROVOGVCMYEKNN-NEPJUHHUSA-N 2 1 273.377 -1.271 20 0 CAADMP C[NH2+]C[C@](C)(O)C[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC001332629042 885429542 /nfs/dbraw/zinc/42/95/42/885429542.db2.gz YSHJFOFYSNJWLX-OLZOCXBDSA-N 3 1 256.394 -1.064 20 0 CAADMP C[NH2+]C[C@](C)(O)CN1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC001332629042 885429547 /nfs/dbraw/zinc/42/95/47/885429547.db2.gz YSHJFOFYSNJWLX-OLZOCXBDSA-N 2 1 256.394 -1.064 20 0 CAADMP C[NH2+]C[C@@](C)(O)C[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC001332629040 885430361 /nfs/dbraw/zinc/43/03/61/885430361.db2.gz YSHJFOFYSNJWLX-CHWSQXEVSA-N 3 1 256.394 -1.064 20 0 CAADMP C[NH2+]C[C@@](C)(O)CN1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC001332629040 885430367 /nfs/dbraw/zinc/43/03/67/885430367.db2.gz YSHJFOFYSNJWLX-CHWSQXEVSA-N 2 1 256.394 -1.064 20 0 CAADMP C[N@H+](CCO)CCNC(=O)CN1CC[NH+](C)CC1 ZINC001333073483 885457055 /nfs/dbraw/zinc/45/70/55/885457055.db2.gz JRIGTRCVMNNVFS-UHFFFAOYSA-N 2 1 258.366 -1.726 20 0 CAADMP C[N@@H+](CCO)CCNC(=O)CN1CC[NH+](C)CC1 ZINC001333073483 885457060 /nfs/dbraw/zinc/45/70/60/885457060.db2.gz JRIGTRCVMNNVFS-UHFFFAOYSA-N 2 1 258.366 -1.726 20 0 CAADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)NCCC(C)(C)[NH3+] ZINC001333378599 885473905 /nfs/dbraw/zinc/47/39/05/885473905.db2.gz MLCDLHKCONGCPZ-NSHDSACASA-N 2 1 299.419 -1.408 20 0 CAADMP COCC[N@@H+](C)CCNC(=O)C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC001333405691 885477117 /nfs/dbraw/zinc/47/71/17/885477117.db2.gz NKUUTSXTHPCNKC-PHIMTYICSA-N 2 1 286.376 -1.466 20 0 CAADMP C[N@H+]1CC[C@H]2CN(C(=O)C(=O)NCC3C[NH2+]C3)CC[C@H]21 ZINC001333423497 885479555 /nfs/dbraw/zinc/47/95/55/885479555.db2.gz OIRRTAOKNBZTAH-NWDGAFQWSA-N 2 1 280.372 -1.125 20 0 CAADMP C[N@H+]1CC[C@H]2CN(C(=O)C(=O)NCC3C[NH2+]C3)CC[C@@H]21 ZINC001333423499 885479739 /nfs/dbraw/zinc/47/97/39/885479739.db2.gz OIRRTAOKNBZTAH-RYUDHWBXSA-N 2 1 280.372 -1.125 20 0 CAADMP NC(=O)C[C@H]1C[N@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)CCO1 ZINC001333529592 885486920 /nfs/dbraw/zinc/48/69/20/885486920.db2.gz OLSOALJGVJLZKD-QWRGUYRKSA-N 2 1 269.345 -1.059 20 0 CAADMP NC(=O)C[C@H]1C[N@@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)CCO1 ZINC001333529592 885486930 /nfs/dbraw/zinc/48/69/30/885486930.db2.gz OLSOALJGVJLZKD-QWRGUYRKSA-N 2 1 269.345 -1.059 20 0 CAADMP CN1CC[N@H+](C)C[C@H]1CN1C(=O)N[C@H](C[NH+](C)C)C1=O ZINC001333582387 885493272 /nfs/dbraw/zinc/49/32/72/885493272.db2.gz ISDKMNBMHJQXOV-WDEREUQCSA-N 2 1 283.376 -1.286 20 0 CAADMP CN1CC[N@@H+](C)C[C@H]1CN1C(=O)N[C@H](C[NH+](C)C)C1=O ZINC001333582387 885493277 /nfs/dbraw/zinc/49/32/77/885493277.db2.gz ISDKMNBMHJQXOV-WDEREUQCSA-N 2 1 283.376 -1.286 20 0 CAADMP CN1CC[N@H+](C)C[C@H]1CN1C(=O)N[C@@H](C[NH+](C)C)C1=O ZINC001333582385 885493586 /nfs/dbraw/zinc/49/35/86/885493586.db2.gz ISDKMNBMHJQXOV-QWRGUYRKSA-N 2 1 283.376 -1.286 20 0 CAADMP CN1CC[N@@H+](C)C[C@H]1CN1C(=O)N[C@@H](C[NH+](C)C)C1=O ZINC001333582385 885493593 /nfs/dbraw/zinc/49/35/93/885493593.db2.gz ISDKMNBMHJQXOV-QWRGUYRKSA-N 2 1 283.376 -1.286 20 0 CAADMP CN1CC[N@H+](C)C[C@@H]1CN1C(=O)N[C@@H](C[NH+](C)C)C1=O ZINC001333582383 885494157 /nfs/dbraw/zinc/49/41/57/885494157.db2.gz ISDKMNBMHJQXOV-MNOVXSKESA-N 2 1 283.376 -1.286 20 0 CAADMP CN1CC[N@@H+](C)C[C@@H]1CN1C(=O)N[C@@H](C[NH+](C)C)C1=O ZINC001333582383 885494160 /nfs/dbraw/zinc/49/41/60/885494160.db2.gz ISDKMNBMHJQXOV-MNOVXSKESA-N 2 1 283.376 -1.286 20 0 CAADMP C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CC[N@@H+](C)[C@@H]3C2)C[C@H]1[NH3+] ZINC001333616743 885497094 /nfs/dbraw/zinc/49/70/94/885497094.db2.gz NVGVWOHTNHJESA-WRWGMCAJSA-N 2 1 280.372 -1.046 20 0 CAADMP CO[C@@H](C[NH3+])C(=O)N1CC[NH2+]C[C@H]1c1nccn1C ZINC001333643197 885501237 /nfs/dbraw/zinc/50/12/37/885501237.db2.gz MVZVSFUFVQZALO-UWVGGRQHSA-N 2 1 267.333 -1.133 20 0 CAADMP O=C(N[C@H]1CC[N@H+](C2CC2)C1)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC001333942280 885512461 /nfs/dbraw/zinc/51/24/61/885512461.db2.gz DGOCOCOZJAKOTJ-NHCYSSNCSA-N 2 1 278.356 -1.088 20 0 CAADMP NS(=O)(=O)C[C@@H]1CC[N@@H+](CCOCC[NH3+])C1 ZINC001335182403 885588787 /nfs/dbraw/zinc/58/87/87/885588787.db2.gz WBIJMZMVILACBD-SECBINFHSA-N 2 1 251.352 -1.428 20 0 CAADMP O=C(CN1CC[NH2+]CC[NH2+]CC1)N1CCOCC1 ZINC001335182529 885589229 /nfs/dbraw/zinc/58/92/29/885589229.db2.gz ZAACYORQKWVOIM-UHFFFAOYSA-N 2 1 256.350 -1.660 20 0 CAADMP COCC[N@@H+](C)CCNC(=O)C(=O)N[C@H]1C[C@H](C[NH3+])C1 ZINC001335187023 885589394 /nfs/dbraw/zinc/58/93/94/885589394.db2.gz LNDWFBPDCOWNKZ-XYPYZODXSA-N 2 1 286.376 -1.466 20 0 CAADMP NS(=O)(=O)C[C@H]1CC[N@@H+](CCOCC[NH3+])C1 ZINC001335182410 885589888 /nfs/dbraw/zinc/58/98/88/885589888.db2.gz WBIJMZMVILACBD-VIFPVBQESA-N 2 1 251.352 -1.428 20 0 CAADMP C[C@@H]1C[NH2+]C[C@H]1NC(=O)NC[C@@]1(O)CC[N@@H+](C)C1 ZINC001336163282 885650648 /nfs/dbraw/zinc/65/06/48/885650648.db2.gz MWRJGZMNNDYDNQ-FOGDFJRCSA-N 2 1 256.350 -1.040 20 0 CAADMP C[C@@H](NC(=O)C(=O)N[C@H]1C[C@H](C[NH3+])C1)[C@@H]1C[N@H+](C)CCO1 ZINC001336631433 885671702 /nfs/dbraw/zinc/67/17/02/885671702.db2.gz PRQYGGIUVJSSIG-KKOKHZNYSA-N 2 1 298.387 -1.325 20 0 CAADMP C[C@@H](NC(=O)C(=O)N[C@H]1C[C@H](C[NH3+])C1)[C@@H]1C[N@@H+](C)CCO1 ZINC001336631433 885671710 /nfs/dbraw/zinc/67/17/10/885671710.db2.gz PRQYGGIUVJSSIG-KKOKHZNYSA-N 2 1 298.387 -1.325 20 0 CAADMP COCC[N@H+]1CC[C@@H](NC(=O)N2CCNCC[NH2+]CC2)C1 ZINC001336829089 885684148 /nfs/dbraw/zinc/68/41/48/885684148.db2.gz CCEWQJCCOAIWAF-CYBMUJFWSA-N 2 1 299.419 -1.089 20 0 CAADMP COCC[N@H+]1CC[C@H](NC(=O)N2CCNCC[NH2+]CC2)C1 ZINC001336829090 885684305 /nfs/dbraw/zinc/68/43/05/885684305.db2.gz CCEWQJCCOAIWAF-ZDUSSCGKSA-N 2 1 299.419 -1.089 20 0 CAADMP NC(=O)[C@@H]1C[N@H+](C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)CCO1 ZINC001337824438 885720986 /nfs/dbraw/zinc/72/09/86/885720986.db2.gz NUNYFIJDHJETME-GMXVVIOVSA-N 2 1 269.345 -1.059 20 0 CAADMP NC(=O)[C@@H]1C[N@@H+](C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)CCO1 ZINC001337824438 885721000 /nfs/dbraw/zinc/72/10/00/885721000.db2.gz NUNYFIJDHJETME-GMXVVIOVSA-N 2 1 269.345 -1.059 20 0 CAADMP NC(=O)C12CCC(CC1)N2CC(=O)N1CCNCC1 ZINC001339932350 885783605 /nfs/dbraw/zinc/78/36/05/885783605.db2.gz IGWRDPDLPMJROY-UHFFFAOYSA-N 2 1 266.345 -1.100 20 0 CAADMP CN1CC[NH2+]C[C@@H]1C(=O)N1CC[NH2+]C[C@H]1C(F)F ZINC001340165057 885794522 /nfs/dbraw/zinc/79/45/22/885794522.db2.gz RXIVXTTWHGUFMP-DTWKUNHWSA-N 2 1 262.304 -1.045 20 0 CAADMP COCC[N@H+]1CC[C@H](NC(=O)[C@@H]([NH3+])C(C)(C)O)C1 ZINC001340852290 885816190 /nfs/dbraw/zinc/81/61/90/885816190.db2.gz FIPZMEGWEQHCFX-VHSXEESVSA-N 2 1 259.350 -1.079 20 0 CAADMP [NH3+][C@H](CO)C(=O)N1CC[NH2+]C[C@@H]1c1ccncc1 ZINC001340335626 885802386 /nfs/dbraw/zinc/80/23/86/885802386.db2.gz YUWNNMHCIPEKAV-GHMZBOCLSA-N 2 1 250.302 -1.126 20 0 CAADMP CN1CC[NH2+]C[C@@H]1C(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O ZINC001340689697 885810641 /nfs/dbraw/zinc/81/06/41/885810641.db2.gz CBNIMRPRLGMNGV-NWDGAFQWSA-N 2 1 297.403 -1.654 20 0 CAADMP [NH3+]C[C@@H](O)CC(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC001340738067 885813202 /nfs/dbraw/zinc/81/32/02/885813202.db2.gz DFNRDILCKOETLE-QWRGUYRKSA-N 2 1 257.334 -1.371 20 0 CAADMP COCC[N@H+]1CC[C@@H](NC(=O)[C@@H]([NH3+])C(C)(C)O)C1 ZINC001340852289 885815425 /nfs/dbraw/zinc/81/54/25/885815425.db2.gz FIPZMEGWEQHCFX-NXEZZACHSA-N 2 1 259.350 -1.079 20 0 CAADMP [NH3+]C[C@@H](O)CC(=O)NCCCCC[NH+]1CCNCC1 ZINC001341072499 885822633 /nfs/dbraw/zinc/82/26/33/885822633.db2.gz PCWGONCEUIEBAS-LBPRGKRZSA-N 2 1 272.393 -1.112 20 0 CAADMP COC(=O)CC[N@@H+]1CCN(C(=O)CNCC[NH3+])C[C@@H]1C ZINC001341073037 885823023 /nfs/dbraw/zinc/82/30/23/885823023.db2.gz RGIXGIZHKWDZMV-NSHDSACASA-N 2 1 286.376 -1.370 20 0 CAADMP COC(=O)CC[N@H+]1CCN(C(=O)CNCC[NH3+])C[C@@H]1C ZINC001341073037 885823033 /nfs/dbraw/zinc/82/30/33/885823033.db2.gz RGIXGIZHKWDZMV-NSHDSACASA-N 2 1 286.376 -1.370 20 0 CAADMP COC[C@H]([NH3+])C(=O)N[C@H](C)[C@H]1C[N@@H+](C)CCN1C ZINC001341940445 885864748 /nfs/dbraw/zinc/86/47/48/885864748.db2.gz IZMYFIINUFWAQU-OUAUKWLOSA-N 2 1 258.366 -1.289 20 0 CAADMP C[C@H]1CN2CC[N@H+]1C[C@H]2C(=O)NCCN1CC[NH2+]CC1 ZINC001341245445 885829930 /nfs/dbraw/zinc/82/99/30/885829930.db2.gz XNMLDOMMZSFJDZ-STQMWFEESA-N 2 1 281.404 -1.604 20 0 CAADMP C[C@H]1CN2CC[N@H+]1C[C@@H]2C(=O)NCCN1CC[NH2+]CC1 ZINC001341245443 885830432 /nfs/dbraw/zinc/83/04/32/885830432.db2.gz XNMLDOMMZSFJDZ-QWHCGFSZSA-N 2 1 281.404 -1.604 20 0 CAADMP C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)NCCN1CC[NH2+]CC1 ZINC001341245437 885830506 /nfs/dbraw/zinc/83/05/06/885830506.db2.gz XNMLDOMMZSFJDZ-CHWSQXEVSA-N 2 1 281.404 -1.604 20 0 CAADMP C[C@H]1CN2CC[N@H+]1C[C@H]2C(=O)N[C@@H]1C[NH2+]C[C@@H]1O ZINC001341418839 885839351 /nfs/dbraw/zinc/83/93/51/885839351.db2.gz VMIJGOAWEYNKEL-VLEAKVRGSA-N 2 1 254.334 -2.176 20 0 CAADMP C[C@H](CNC(=O)[C@@H]1C[NH2+]CCN1C)CN1CC[NH+](C)CC1 ZINC001341731893 885853072 /nfs/dbraw/zinc/85/30/72/885853072.db2.gz HGZMEIOQTVJMHT-KGLIPLIRSA-N 2 1 297.447 -1.110 20 0 CAADMP C[NH+]1CCN(C(=O)[C@H]2CCCN(CC[NH3+])C2=O)CC1 ZINC001341732719 885854440 /nfs/dbraw/zinc/85/44/40/885854440.db2.gz KBXBJVJNFMYHQY-NSHDSACASA-N 2 1 268.361 -1.042 20 0 CAADMP COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)CNCC[NH3+])CC1 ZINC001341742707 885854624 /nfs/dbraw/zinc/85/46/24/885854624.db2.gz OBVDASNATPVTFY-LLVKDONJSA-N 2 1 286.376 -1.370 20 0 CAADMP C[C@@H](CNC(=O)[C@@H]1C[NH2+]CCN1C)CN1CC[NH+](C)CC1 ZINC001341731887 885855051 /nfs/dbraw/zinc/85/50/51/885855051.db2.gz HGZMEIOQTVJMHT-KBPBESRZSA-N 2 1 297.447 -1.110 20 0 CAADMP C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC001341847105 885862053 /nfs/dbraw/zinc/86/20/53/885862053.db2.gz KAADGGASQMFALT-GRYCIOLGSA-N 2 1 268.361 -1.521 20 0 CAADMP COC[C@H]([NH3+])C(=O)N[C@H](C)[C@@H]1C[N@@H+](C)CCN1C ZINC001341940446 885865248 /nfs/dbraw/zinc/86/52/48/885865248.db2.gz IZMYFIINUFWAQU-VWYCJHECSA-N 2 1 258.366 -1.289 20 0 CAADMP C[C@H](NC(=O)COCC[NH3+])[C@@H]1C[N@@H+](C)CCN1C ZINC001342035735 885868082 /nfs/dbraw/zinc/86/80/82/885868082.db2.gz NWZBXGYDJHQZNT-QWRGUYRKSA-N 2 1 258.366 -1.288 20 0 CAADMP C[C@@H](NC(=O)COCC[NH3+])[C@@H]1C[N@@H+](C)CCN1C ZINC001342035734 885868458 /nfs/dbraw/zinc/86/84/58/885868458.db2.gz NWZBXGYDJHQZNT-MNOVXSKESA-N 2 1 258.366 -1.288 20 0 CAADMP C[NH2+]C[C@H](O)[C@H](C)C(=O)N1CC[N@H+](C)C[C@@H]1CO ZINC001342032734 885869218 /nfs/dbraw/zinc/86/92/18/885869218.db2.gz ASKVGRFEZNORMI-AXFHLTTASA-N 2 1 259.350 -1.662 20 0 CAADMP C[NH2+]C[C@H](O)[C@H](C)C(=O)N1CC[N@@H+](C)C[C@@H]1CO ZINC001342032734 885869231 /nfs/dbraw/zinc/86/92/31/885869231.db2.gz ASKVGRFEZNORMI-AXFHLTTASA-N 2 1 259.350 -1.662 20 0 CAADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@H]2COC3(C[NH2+]C3)C2)C1 ZINC001342125194 885871984 /nfs/dbraw/zinc/87/19/84/885871984.db2.gz HETFHWACHOZEHP-GHMZBOCLSA-N 2 1 269.345 -1.046 20 0 CAADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@H]2COC3(C[NH2+]C3)C2)C1 ZINC001342125194 885871995 /nfs/dbraw/zinc/87/19/95/885871995.db2.gz HETFHWACHOZEHP-GHMZBOCLSA-N 2 1 269.345 -1.046 20 0 CAADMP O=C(N[C@H]1C[NH2+]C[C@H]1O)[C@H]1[NH2+]CCc2occc21 ZINC001342176611 885875180 /nfs/dbraw/zinc/87/51/80/885875180.db2.gz SDLHMXJMEFBXRR-NGZCFLSTSA-N 2 1 251.286 -1.085 20 0 CAADMP C[NH2+][C@@H](C(=O)N[C@@H]1C[NH2+]C[C@@H]1O)c1cnn(C)c1 ZINC001342175568 885876034 /nfs/dbraw/zinc/87/60/34/885876034.db2.gz HSCNWCRBNJJLAL-KXUCPTDWSA-N 2 1 253.306 -1.871 20 0 CAADMP CN1CC[NH2+]C[C@@H]1C(=O)Nc1cc2n(n1)CC[NH2+]C2 ZINC001342152597 885876527 /nfs/dbraw/zinc/87/65/27/885876527.db2.gz HRBKEXMFWHLOSE-SNVBAGLBSA-N 2 1 264.333 -1.172 20 0 CAADMP O=C([C@H]1CC[NH2+]1)N1CC[NH2+]CCN(C(=O)[C@H]2CC[NH2+]2)CC1 ZINC001342564611 885890953 /nfs/dbraw/zinc/89/09/53/885890953.db2.gz NGJFSXAOFDSSTD-VXGBXAGGSA-N 3 1 295.387 -2.029 20 0 CAADMP OC[C@@H]1C[C@@H](O)C[NH+]1CCCC[N@@H+]1C[C@H](O)C[C@H]1CO ZINC001342859671 885901891 /nfs/dbraw/zinc/90/18/91/885901891.db2.gz YPUUQMJCBOCXHT-IGQOVBAYSA-N 2 1 288.388 -1.378 20 0 CAADMP C[C@H](CNC(=O)C[C@@H](O)C[NH3+])C[NH+]1CCOCC1 ZINC001343409445 885915246 /nfs/dbraw/zinc/91/52/46/885915246.db2.gz ODPYLINZISRYQS-GHMZBOCLSA-N 2 1 259.350 -1.219 20 0 CAADMP C[N@H+]1C[C@@H]2CC[C@H](NC(=O)CNC(=O)C[NH3+])[C@@H]2C1 ZINC001343592502 885921149 /nfs/dbraw/zinc/92/11/49/885921149.db2.gz MVRSDXAGJSZUPR-AEJSXWLSSA-N 2 1 254.334 -1.482 20 0 CAADMP O=C(NC1C[NH2+]C1)C(=O)N1CCC[N@H+]2CCC[C@H]2C1 ZINC001345198862 885960289 /nfs/dbraw/zinc/96/02/89/885960289.db2.gz VEZAWDNRXVCLNY-NSHDSACASA-N 2 1 266.345 -1.229 20 0 CAADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)NCC1([NH3+])CC1 ZINC001345914292 885973857 /nfs/dbraw/zinc/97/38/57/885973857.db2.gz XGFMNQVIIROLPM-JTQLQIEISA-N 2 1 283.376 -2.044 20 0 CAADMP CN(CCOCC[NH3+])C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC001348306145 886067882 /nfs/dbraw/zinc/06/78/82/886067882.db2.gz IPZRWCFJYOWJTH-GFCCVEGCSA-N 2 1 287.408 -1.151 20 0 CAADMP CN1CCN(C(=O)CNC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001349254473 886119593 /nfs/dbraw/zinc/11/95/93/886119593.db2.gz FJLMLGPVZILEAZ-NSHDSACASA-N 2 1 268.361 -1.172 20 0 CAADMP C[N@@H+]1CC[C@H](C(=O)NCC(=O)N2CC[NH+](C)CC2)C1 ZINC001349254473 886119597 /nfs/dbraw/zinc/11/95/97/886119597.db2.gz FJLMLGPVZILEAZ-NSHDSACASA-N 2 1 268.361 -1.172 20 0 CAADMP C[N@H+]1CC[C@H](C(=O)NCC(=O)N2CC[NH+](C)CC2)C1 ZINC001349254473 886119602 /nfs/dbraw/zinc/11/96/02/886119602.db2.gz FJLMLGPVZILEAZ-NSHDSACASA-N 2 1 268.361 -1.172 20 0 CAADMP NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)CNC(=O)C[NH3+])C1 ZINC001349457712 886128744 /nfs/dbraw/zinc/12/87/44/886128744.db2.gz IAWRQDSSYNMPKD-JTQLQIEISA-N 2 1 299.375 -2.235 20 0 CAADMP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)CNC(=O)C[NH3+])C1 ZINC001349457713 886129035 /nfs/dbraw/zinc/12/90/35/886129035.db2.gz IAWRQDSSYNMPKD-SNVBAGLBSA-N 2 1 299.375 -2.235 20 0 CAADMP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)COCC[NH3+])C1 ZINC001349457682 886129763 /nfs/dbraw/zinc/12/97/63/886129763.db2.gz HMNBBWMITMWOPQ-LLVKDONJSA-N 2 1 286.376 -1.335 20 0 CAADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC001350006094 886157914 /nfs/dbraw/zinc/15/79/14/886157914.db2.gz UFEYRPCECXUKAY-SRVKXCTJSA-N 2 1 295.387 -2.079 20 0 CAADMP C[NH2+]C[C@@H](C)NC(=O)C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC001350330989 886164237 /nfs/dbraw/zinc/16/42/37/886164237.db2.gz CDDKNUYUEDNXAA-MNOVXSKESA-N 2 1 285.392 -1.928 20 0 CAADMP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)[C@@H]2CSC[NH2+]2)n1 ZINC001350420068 886174996 /nfs/dbraw/zinc/17/49/96/886174996.db2.gz WBTHSIRFZMACKL-ZETCQYMHSA-N 2 1 269.330 -1.080 20 0 CAADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC001351552913 886211495 /nfs/dbraw/zinc/21/14/95/886211495.db2.gz RFNNLPOICJVOAY-MNOVXSKESA-N 2 1 283.376 -2.174 20 0 CAADMP O[C@@H]1CC[NH+](C/C=C\C[N@@H+]2CC[C@@H](O)[C@@H](O)C2)C[C@@H]1O ZINC001352925484 886253568 /nfs/dbraw/zinc/25/35/68/886253568.db2.gz MRDIWEDKHWXNEK-YQQXMBKZSA-N 2 1 286.372 -1.602 20 0 CAADMP C[NH2+]CCOCCNC(=O)[C@@H](C)N1CC[NH+](C)CC1 ZINC001352849889 886253824 /nfs/dbraw/zinc/25/38/24/886253824.db2.gz MYVKMIOCTVFLLZ-GFCCVEGCSA-N 2 1 272.393 -1.026 20 0 CAADMP C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC001353005276 886255096 /nfs/dbraw/zinc/25/50/96/886255096.db2.gz QRPLKERWUSLSCR-AGIUHOORSA-N 2 1 281.404 -1.524 20 0 CAADMP C[C@H]([NH3+])CCNC(=O)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC001353047430 886261055 /nfs/dbraw/zinc/26/10/55/886261055.db2.gz DUOOANBPCPPNNN-WDEREUQCSA-N 2 1 285.392 -1.798 20 0 CAADMP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC001353263087 886273488 /nfs/dbraw/zinc/27/34/88/886273488.db2.gz NWSCEEDLAODKRK-WOPDTQHZSA-N 2 1 297.403 -1.704 20 0 CAADMP COCC[N@@H+](C)CCNC(=O)[C@]1(C)C[C@@H](O)C[NH2+]1 ZINC001353526856 886278769 /nfs/dbraw/zinc/27/87/69/886278769.db2.gz PPWSLUIDXGLMMQ-PWSUYJOCSA-N 2 1 259.350 -1.206 20 0 CAADMP COCC[N@@H+](C)CCNC(=O)[C@@]1(C)C[C@@H](O)C[NH2+]1 ZINC001353526858 886279082 /nfs/dbraw/zinc/27/90/82/886279082.db2.gz PPWSLUIDXGLMMQ-ZYHUDNBSSA-N 2 1 259.350 -1.206 20 0 CAADMP C[NH+]1CCN(C(=O)CCNC(=O)[C@@H]2C[C@@H]2C[NH3+])CC1 ZINC001353483519 886279769 /nfs/dbraw/zinc/27/97/69/886279769.db2.gz WURQLJGCQONXIU-GHMZBOCLSA-N 2 1 268.361 -1.139 20 0 CAADMP C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC001353613205 886283832 /nfs/dbraw/zinc/28/38/32/886283832.db2.gz LZKQFCCGJSDDFX-WOPDTQHZSA-N 2 1 268.361 -1.439 20 0 CAADMP COCC[NH2+]CCNC(=O)[C@H]1C[N@H+]2CCN1C[C@@H]2C ZINC001353602459 886285386 /nfs/dbraw/zinc/28/53/86/886285386.db2.gz OLJLNDQPLNZWDV-NWDGAFQWSA-N 2 1 270.377 -1.273 20 0 CAADMP CNC(=O)NC(=O)[C@H](C)N1CC[NH2+]CC[NH2+]CC1 ZINC001354186076 886302692 /nfs/dbraw/zinc/30/26/92/886302692.db2.gz YOQJZHKWBHQVPM-VIFPVBQESA-N 2 1 257.338 -1.675 20 0 CAADMP C[C@H]1CN2CC[N@H+]1C[C@H]2C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC001354474629 886312572 /nfs/dbraw/zinc/31/25/72/886312572.db2.gz MGKUGMKBJGRZDG-BJDJZHNGSA-N 2 1 250.346 -1.053 20 0 CAADMP C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC001354474632 886314877 /nfs/dbraw/zinc/31/48/77/886314877.db2.gz MGKUGMKBJGRZDG-RHYQMDGZSA-N 2 1 250.346 -1.053 20 0 CAADMP C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC001354474631 886315588 /nfs/dbraw/zinc/31/55/88/886315588.db2.gz MGKUGMKBJGRZDG-NOOOWODRSA-N 2 1 250.346 -1.053 20 0 CAADMP C[NH+](C)CCOCCNC(=O)C(=O)NC[C@H]1CC[N@@H+]1C ZINC001354697892 886323668 /nfs/dbraw/zinc/32/36/68/886323668.db2.gz SEBSCYAGSRLCPA-LLVKDONJSA-N 2 1 286.376 -1.499 20 0 CAADMP C[NH+](C)CCOCCNC(=O)C(=O)NC[C@H]1CC[N@H+]1C ZINC001354697892 886323681 /nfs/dbraw/zinc/32/36/81/886323681.db2.gz SEBSCYAGSRLCPA-LLVKDONJSA-N 2 1 286.376 -1.499 20 0 CAADMP CO[C@@H](C[NH3+])CC(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001354771397 886325764 /nfs/dbraw/zinc/32/57/64/886325764.db2.gz VXIBQZOHTIYJGA-LLVKDONJSA-N 3 1 258.366 -1.111 20 0 CAADMP CO[C@H](C[NH3+])CC(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001354771398 886327406 /nfs/dbraw/zinc/32/74/06/886327406.db2.gz VXIBQZOHTIYJGA-NSHDSACASA-N 3 1 258.366 -1.111 20 0 CAADMP C[N@@H+]1CCN(C(=O)[C@@H]2CCCN(CC[NH3+])C2=O)[C@H](CO)C1 ZINC001356251616 886358771 /nfs/dbraw/zinc/35/87/71/886358771.db2.gz BXHBOVFLIKXHRI-NWDGAFQWSA-N 2 1 298.387 -1.681 20 0 CAADMP C[N@H+]1CCN(C(=O)[C@@H]2CCCN(CC[NH3+])C2=O)[C@H](CO)C1 ZINC001356251616 886358783 /nfs/dbraw/zinc/35/87/83/886358783.db2.gz BXHBOVFLIKXHRI-NWDGAFQWSA-N 2 1 298.387 -1.681 20 0 CAADMP C[N@@H+]1CCN(C(=O)[C@@H]2CCCN(CC[NH3+])C2=O)[C@@H](CO)C1 ZINC001356251620 886360933 /nfs/dbraw/zinc/36/09/33/886360933.db2.gz BXHBOVFLIKXHRI-VXGBXAGGSA-N 2 1 298.387 -1.681 20 0 CAADMP C[N@H+]1CCN(C(=O)[C@@H]2CCCN(CC[NH3+])C2=O)[C@@H](CO)C1 ZINC001356251620 886360951 /nfs/dbraw/zinc/36/09/51/886360951.db2.gz BXHBOVFLIKXHRI-VXGBXAGGSA-N 2 1 298.387 -1.681 20 0 CAADMP CN(C)S(=O)(=O)NCC[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC001356630432 886370028 /nfs/dbraw/zinc/37/00/28/886370028.db2.gz YQUWGMHRCFSLTK-NSHDSACASA-N 2 1 294.421 -1.571 20 0 CAADMP CN(C)S(=O)(=O)NCC[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC001356630431 886371052 /nfs/dbraw/zinc/37/10/52/886371052.db2.gz YQUWGMHRCFSLTK-LLVKDONJSA-N 2 1 294.421 -1.571 20 0 CAADMP C[C@@H]1Cn2nc(C(=O)NCC3(O)C[NH2+]C3)cc2C[NH2+]1 ZINC001357820802 886414886 /nfs/dbraw/zinc/41/48/86/886414886.db2.gz IHVFIBXAPJBCMV-MRVPVSSYSA-N 2 1 265.317 -1.561 20 0 CAADMP C[C@H]1CN2CC[N@H+]1C[C@@H]2C(=O)NCCN1CCC([NH3+])CC1 ZINC001358112348 886420500 /nfs/dbraw/zinc/42/05/00/886420500.db2.gz YQNPABBJTSGWAP-GXTWGEPZSA-N 2 1 295.431 -1.086 20 0 CAADMP [NH3+]CC(=O)NCC(=O)NCCCCC[NH+]1CCNCC1 ZINC001358214344 886422101 /nfs/dbraw/zinc/42/21/01/886422101.db2.gz SLYBWJYQWLGIRS-UHFFFAOYSA-N 2 1 285.392 -1.747 20 0 CAADMP C[NH+](C)C[C@@H](CO)NC(=O)C[N@@H+](C)[C@@H]1CCC[C@H]1O ZINC001362838342 886725927 /nfs/dbraw/zinc/72/59/27/886725927.db2.gz HBEYNAPIWIULPQ-QJPTWQEYSA-N 2 1 273.377 -1.130 20 0 CAADMP C[NH+]1CCN(C(=O)CC[NH+]2C[C@@H](CO)[C@H](CO)C2)CC1 ZINC001364776608 887132280 /nfs/dbraw/zinc/13/22/80/887132280.db2.gz MDKDCXIFGMCPQO-STQMWFEESA-N 2 1 285.388 -1.317 20 0 CAADMP C[NH+]1CCN(C(=O)CC[NH+]2CCC(O)(C(N)=O)CC2)CC1 ZINC001365297509 887191536 /nfs/dbraw/zinc/19/15/36/887191536.db2.gz INAGTPJTHFGMHG-UHFFFAOYSA-N 2 1 298.387 -1.537 20 0 CAADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]CC(=O)NC)C2)C1 ZINC001366130085 887271439 /nfs/dbraw/zinc/27/14/39/887271439.db2.gz KDSGMBJRPFVUKK-IJLUTSLNSA-N 2 1 298.387 -1.310 20 0 CAADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]CC(=O)NC)C2)C1 ZINC001366130085 887271452 /nfs/dbraw/zinc/27/14/52/887271452.db2.gz KDSGMBJRPFVUKK-IJLUTSLNSA-N 2 1 298.387 -1.310 20 0 CAADMP CNC(=O)NC(=O)C[NH2+][C@@H](C)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001366314399 887290112 /nfs/dbraw/zinc/29/01/12/887290112.db2.gz YNSNQLZQMHBVRK-VHSXEESVSA-N 2 1 299.375 -1.370 20 0 CAADMP CC[N@@H+]1CCO[C@H](C(=O)N2CC[C@@H](C[NH2+]CC(N)=O)C2)C1 ZINC001366405856 887299514 /nfs/dbraw/zinc/29/95/14/887299514.db2.gz DKIILYQZVVKYMQ-RYUDHWBXSA-N 2 1 298.387 -1.370 20 0 CAADMP CC[N@H+]1CCO[C@H](C(=O)N2CC[C@@H](C[NH2+]CC(N)=O)C2)C1 ZINC001366405856 887299527 /nfs/dbraw/zinc/29/95/27/887299527.db2.gz DKIILYQZVVKYMQ-RYUDHWBXSA-N 2 1 298.387 -1.370 20 0 CAADMP CC[N@H+](CCNC(=O)C[NH+]1CCCC1)CC(=O)NC(N)=O ZINC001366641273 887323607 /nfs/dbraw/zinc/32/36/07/887323607.db2.gz RAEJITOACQRKFD-UHFFFAOYSA-N 2 1 299.375 -1.285 20 0 CAADMP CC[N@@H+](CCNC(=O)C[NH+]1CCCC1)CC(=O)NC(N)=O ZINC001366641273 887323623 /nfs/dbraw/zinc/32/36/23/887323623.db2.gz RAEJITOACQRKFD-UHFFFAOYSA-N 2 1 299.375 -1.285 20 0 CAADMP CN(CC[NH2+][C@@H]1CCN(C)C1=O)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001366765608 887332417 /nfs/dbraw/zinc/33/24/17/887332417.db2.gz TXYBMLHTWCJMCV-NEPJUHHUSA-N 2 1 298.387 -1.404 20 0 CAADMP CN(CC[NH2+][C@@H]1CCN(C)C1=O)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001366765608 887332429 /nfs/dbraw/zinc/33/24/29/887332429.db2.gz TXYBMLHTWCJMCV-NEPJUHHUSA-N 2 1 298.387 -1.404 20 0 CAADMP C[C@H]([NH2+]CCN(C)C(=O)[C@@H]1C[N@H+](C)CCO1)C(N)=O ZINC001366766143 887332878 /nfs/dbraw/zinc/33/28/78/887332878.db2.gz VNCBEGPPCNSZDL-UWVGGRQHSA-N 2 1 272.349 -1.761 20 0 CAADMP C[C@H]([NH2+]CCN(C)C(=O)[C@@H]1C[N@@H+](C)CCO1)C(N)=O ZINC001366766143 887332894 /nfs/dbraw/zinc/33/28/94/887332894.db2.gz VNCBEGPPCNSZDL-UWVGGRQHSA-N 2 1 272.349 -1.761 20 0 CAADMP CN(CC[NH2+][C@@H]1CCN(C)C1=O)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001366765611 887334200 /nfs/dbraw/zinc/33/42/00/887334200.db2.gz TXYBMLHTWCJMCV-VXGBXAGGSA-N 2 1 298.387 -1.404 20 0 CAADMP CN(CC[NH2+][C@@H]1CCN(C)C1=O)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001366765611 887334213 /nfs/dbraw/zinc/33/42/13/887334213.db2.gz TXYBMLHTWCJMCV-VXGBXAGGSA-N 2 1 298.387 -1.404 20 0 CAADMP C[C@@H]([NH2+]CCN(C)C(=O)[C@H]1C[N@H+](C)CCO1)C(N)=O ZINC001366766141 887335760 /nfs/dbraw/zinc/33/57/60/887335760.db2.gz VNCBEGPPCNSZDL-NXEZZACHSA-N 2 1 272.349 -1.761 20 0 CAADMP C[C@@H]([NH2+]CCN(C)C(=O)[C@H]1C[N@@H+](C)CCO1)C(N)=O ZINC001366766141 887335772 /nfs/dbraw/zinc/33/57/72/887335772.db2.gz VNCBEGPPCNSZDL-NXEZZACHSA-N 2 1 272.349 -1.761 20 0 CAADMP CNC(=O)C[NH2+]C[C@H](O)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001367576455 887393720 /nfs/dbraw/zinc/39/37/20/887393720.db2.gz HJCVEJWUQIGUMJ-VHSXEESVSA-N 2 1 272.349 -2.107 20 0 CAADMP CNC(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001367576446 887394591 /nfs/dbraw/zinc/39/45/91/887394591.db2.gz HJCVEJWUQIGUMJ-NXEZZACHSA-N 2 1 272.349 -2.107 20 0 CAADMP CNC(=O)C[NH2+]C[C@@H](O)CNC(=O)C[N@@H+](C)C1CCC1 ZINC001367595474 887407443 /nfs/dbraw/zinc/40/74/43/887407443.db2.gz RVEDEHLHDPMLSO-LLVKDONJSA-N 2 1 286.376 -1.717 20 0 CAADMP CC[C@@H](C(=O)NC[C@H](O)C[NH2+]Cc1nnnn1C)[NH+](C)C ZINC001367614491 887411461 /nfs/dbraw/zinc/41/14/61/887411461.db2.gz FJSJUOJZIOGVAE-ZJUUUORDSA-N 2 1 299.379 -1.883 20 0 CAADMP Cn1nnnc1C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001367623376 887411753 /nfs/dbraw/zinc/41/17/53/887411753.db2.gz KMSLNEHUYKTLRU-NXEZZACHSA-N 2 1 297.363 -2.272 20 0 CAADMP Cn1nnnc1C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001367623376 887411762 /nfs/dbraw/zinc/41/17/62/887411762.db2.gz KMSLNEHUYKTLRU-NXEZZACHSA-N 2 1 297.363 -2.272 20 0 CAADMP Cn1nnnc1C[NH2+]C[C@@H](O)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001367623379 887413356 /nfs/dbraw/zinc/41/33/56/887413356.db2.gz KMSLNEHUYKTLRU-VHSXEESVSA-N 2 1 297.363 -2.272 20 0 CAADMP Cn1nnnc1C[NH2+]C[C@@H](O)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001367623379 887413360 /nfs/dbraw/zinc/41/33/60/887413360.db2.gz KMSLNEHUYKTLRU-VHSXEESVSA-N 2 1 297.363 -2.272 20 0 CAADMP COC[C@H](O)C[NH2+]C[C@@H](C)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001367664612 887420655 /nfs/dbraw/zinc/42/06/55/887420655.db2.gz DRCQFEWMPKGGKG-IJLUTSLNSA-N 2 1 289.376 -1.581 20 0 CAADMP COC[C@H](O)C[NH2+]C[C@@H](C)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001367664612 887420661 /nfs/dbraw/zinc/42/06/61/887420661.db2.gz DRCQFEWMPKGGKG-IJLUTSLNSA-N 2 1 289.376 -1.581 20 0 CAADMP CNC(=O)[C@H](C)[NH2+]C1(CNC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001367988324 887444077 /nfs/dbraw/zinc/44/40/77/887444077.db2.gz BNAVTBYRFPSGIF-QWRGUYRKSA-N 2 1 298.387 -1.310 20 0 CAADMP CNC(=O)[C@H](C)[NH2+]C1(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001367988324 887444085 /nfs/dbraw/zinc/44/40/85/887444085.db2.gz BNAVTBYRFPSGIF-QWRGUYRKSA-N 2 1 298.387 -1.310 20 0 CAADMP CC[C@H]([NH2+]C1(CNC(=O)[C@H]2C[N@H+](C)CCO2)CC1)C(N)=O ZINC001367992304 887444482 /nfs/dbraw/zinc/44/44/82/887444482.db2.gz WWSGVVOOSBCXTP-WDEREUQCSA-N 2 1 298.387 -1.181 20 0 CAADMP CC[C@H]([NH2+]C1(CNC(=O)[C@H]2C[N@@H+](C)CCO2)CC1)C(N)=O ZINC001367992304 887444487 /nfs/dbraw/zinc/44/44/87/887444487.db2.gz WWSGVVOOSBCXTP-WDEREUQCSA-N 2 1 298.387 -1.181 20 0 CAADMP CC[C@H]([NH2+]C1(CNC(=O)[C@@H]2C[N@H+](C)CCO2)CC1)C(N)=O ZINC001367992303 887444732 /nfs/dbraw/zinc/44/47/32/887444732.db2.gz WWSGVVOOSBCXTP-QWRGUYRKSA-N 2 1 298.387 -1.181 20 0 CAADMP CC[C@H]([NH2+]C1(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1)C(N)=O ZINC001367992303 887444738 /nfs/dbraw/zinc/44/47/38/887444738.db2.gz WWSGVVOOSBCXTP-QWRGUYRKSA-N 2 1 298.387 -1.181 20 0 CAADMP CNC(=O)[C@@H](C)[NH2+]C1(CNC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001367988322 887445543 /nfs/dbraw/zinc/44/55/43/887445543.db2.gz BNAVTBYRFPSGIF-MNOVXSKESA-N 2 1 298.387 -1.310 20 0 CAADMP CNC(=O)[C@@H](C)[NH2+]C1(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001367988322 887445547 /nfs/dbraw/zinc/44/55/47/887445547.db2.gz BNAVTBYRFPSGIF-MNOVXSKESA-N 2 1 298.387 -1.310 20 0 CAADMP CC[N@@H+]1CCO[C@@H](C(=O)NCC2([NH2+][C@H](C)C(N)=O)CC2)C1 ZINC001368045999 887449449 /nfs/dbraw/zinc/44/94/49/887449449.db2.gz ISYLJLVQIQLCOJ-GHMZBOCLSA-N 2 1 298.387 -1.181 20 0 CAADMP CC[N@H+]1CCO[C@@H](C(=O)NCC2([NH2+][C@H](C)C(N)=O)CC2)C1 ZINC001368045999 887449458 /nfs/dbraw/zinc/44/94/58/887449458.db2.gz ISYLJLVQIQLCOJ-GHMZBOCLSA-N 2 1 298.387 -1.181 20 0 CAADMP CC[N@@H+]1CCO[C@H](C(=O)NCC2([NH2+][C@@H](C)C(N)=O)CC2)C1 ZINC001368046003 887450882 /nfs/dbraw/zinc/45/08/82/887450882.db2.gz ISYLJLVQIQLCOJ-QWRGUYRKSA-N 2 1 298.387 -1.181 20 0 CAADMP CC[N@H+]1CCO[C@H](C(=O)NCC2([NH2+][C@@H](C)C(N)=O)CC2)C1 ZINC001368046003 887450887 /nfs/dbraw/zinc/45/08/87/887450887.db2.gz ISYLJLVQIQLCOJ-QWRGUYRKSA-N 2 1 298.387 -1.181 20 0 CAADMP C[N@H+]1CC[C@H](C(=O)NC[C@]2(O)CC[NH+](CCCO)C2)C1 ZINC001368291600 887469785 /nfs/dbraw/zinc/46/97/85/887469785.db2.gz WYIMGJNSSIRVRS-GXTWGEPZSA-N 2 1 285.388 -1.127 20 0 CAADMP C[NH+]1CC[C@H](C(=O)NC[C@]2(O)CC[N@H+](CCCO)C2)C1 ZINC001368291600 887469791 /nfs/dbraw/zinc/46/97/91/887469791.db2.gz WYIMGJNSSIRVRS-GXTWGEPZSA-N 2 1 285.388 -1.127 20 0 CAADMP C[NH+]1CC[C@H](C(=O)NC[C@]2(O)CC[N@@H+](CCCO)C2)C1 ZINC001368291600 887469798 /nfs/dbraw/zinc/46/97/98/887469798.db2.gz WYIMGJNSSIRVRS-GXTWGEPZSA-N 2 1 285.388 -1.127 20 0 CAADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCC(O)(C[NH2+]CC(N)=O)CC1 ZINC001368679046 887497029 /nfs/dbraw/zinc/49/70/29/887497029.db2.gz OHNYDXGEZBATPR-LLVKDONJSA-N 2 1 298.387 -1.491 20 0 CAADMP CNC(=O)C[NH2+]CC1CC(NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001368816144 887499956 /nfs/dbraw/zinc/49/99/56/887499956.db2.gz NHJGHWCMUANISE-HTAVTVPLSA-N 2 1 298.387 -1.453 20 0 CAADMP CNC(=O)C[NH2+]CC1CC(NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001368816144 887499967 /nfs/dbraw/zinc/49/99/67/887499967.db2.gz NHJGHWCMUANISE-HTAVTVPLSA-N 2 1 298.387 -1.453 20 0 CAADMP CNC(=O)C[NH2+]CC1CC(NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001368816149 887503020 /nfs/dbraw/zinc/50/30/20/887503020.db2.gz NHJGHWCMUANISE-MCIGGMRASA-N 2 1 298.387 -1.453 20 0 CAADMP CNC(=O)C[NH2+]CC1CC(NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001368816149 887503032 /nfs/dbraw/zinc/50/30/32/887503032.db2.gz NHJGHWCMUANISE-MCIGGMRASA-N 2 1 298.387 -1.453 20 0 CAADMP C[C@@H](NC(=O)CC[NH+]1CCOCC1)[C@H](C)[NH2+]CC(N)=O ZINC001368874201 887505450 /nfs/dbraw/zinc/50/54/50/887505450.db2.gz IDYSVGRBAKSMKQ-WDEREUQCSA-N 2 1 286.376 -1.323 20 0 CAADMP Cn1nncc1C[NH2+][C@H](CO)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001369325864 887543947 /nfs/dbraw/zinc/54/39/47/887543947.db2.gz ZNALBFLMKSQAKK-JQWIXIFHSA-N 2 1 296.375 -1.524 20 0 CAADMP Cn1nncc1C[NH2+][C@H](CO)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001369325864 887543954 /nfs/dbraw/zinc/54/39/54/887543954.db2.gz ZNALBFLMKSQAKK-JQWIXIFHSA-N 2 1 296.375 -1.524 20 0 CAADMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@H](CO)[NH2+]CCn1cncn1 ZINC001369349738 887550756 /nfs/dbraw/zinc/55/07/56/887550756.db2.gz FNZSMTPKUPRXEO-VXGBXAGGSA-N 2 1 296.375 -1.561 20 0 CAADMP CC(C)[N@@H+](C)CC(=O)NC[C@@H](CO)[NH2+][C@@H](C)C(N)=O ZINC001369371435 887560947 /nfs/dbraw/zinc/56/09/47/887560947.db2.gz GUIDXSBZKWYDPZ-UWVGGRQHSA-N 2 1 274.365 -1.733 20 0 CAADMP CC(C)[N@@H+](C)CC(=O)NC[C@H](CO)[NH2+][C@@H](C)C(N)=O ZINC001369371441 887562250 /nfs/dbraw/zinc/56/22/50/887562250.db2.gz GUIDXSBZKWYDPZ-VHSXEESVSA-N 2 1 274.365 -1.733 20 0 CAADMP Cn1cc(C[NH2+][C@H](CO)CNC(=O)[C@H]2CC[N@@H+](C)C2)cn1 ZINC001369388901 887564951 /nfs/dbraw/zinc/56/49/51/887564951.db2.gz WXLAAHCMPXSATF-STQMWFEESA-N 2 1 295.387 -1.062 20 0 CAADMP Cn1cc(C[NH2+][C@@H](CO)CNC(=O)[C@H]2CC[N@@H+](C)C2)cn1 ZINC001369388899 887566112 /nfs/dbraw/zinc/56/61/12/887566112.db2.gz WXLAAHCMPXSATF-QWHCGFSZSA-N 2 1 295.387 -1.062 20 0 CAADMP CN(C[C@H](O)C[NH2+]Cc1cnon1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001369487532 887579255 /nfs/dbraw/zinc/57/92/55/887579255.db2.gz VRQMAEYXTCRHHA-ZYHUDNBSSA-N 2 1 297.359 -1.070 20 0 CAADMP CN(C[C@H](O)C[NH2+]Cc1cnon1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001369487532 887579267 /nfs/dbraw/zinc/57/92/67/887579267.db2.gz VRQMAEYXTCRHHA-ZYHUDNBSSA-N 2 1 297.359 -1.070 20 0 CAADMP CC[C@@H](C(=O)N(C)C[C@@H](O)C[N@H+](C)CC(N)=O)[NH+](C)C ZINC001369513560 887580459 /nfs/dbraw/zinc/58/04/59/887580459.db2.gz MQSYHNSSHYKEDO-QWRGUYRKSA-N 2 1 288.392 -1.437 20 0 CAADMP CC[C@@H](C(=O)N(C)C[C@@H](O)C[N@@H+](C)CC(N)=O)[NH+](C)C ZINC001369513560 887580465 /nfs/dbraw/zinc/58/04/65/887580465.db2.gz MQSYHNSSHYKEDO-QWRGUYRKSA-N 2 1 288.392 -1.437 20 0 CAADMP C[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001370628874 887614779 /nfs/dbraw/zinc/61/47/79/887614779.db2.gz TZIDTJBJGVIYQV-AEJSXWLSSA-N 2 1 297.359 -1.488 20 0 CAADMP C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[NH2+]CC(=O)NC(N)=O ZINC001371186267 887652518 /nfs/dbraw/zinc/65/25/18/887652518.db2.gz JVGSVKRHZMKRCO-OPRDCNLKSA-N 2 1 299.375 -1.384 20 0 CAADMP COC[C@@H](O)C[N@H+](C)CCNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001371938738 887677331 /nfs/dbraw/zinc/67/73/31/887677331.db2.gz IFFDNJIHRBIYOB-RYUDHWBXSA-N 2 1 289.376 -1.628 20 0 CAADMP COC[C@@H](O)C[N@@H+](C)CCNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001371938738 887677336 /nfs/dbraw/zinc/67/73/36/887677336.db2.gz IFFDNJIHRBIYOB-RYUDHWBXSA-N 2 1 289.376 -1.628 20 0 CAADMP COC[C@@H](O)C[NH+](C)CCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001371938738 887677342 /nfs/dbraw/zinc/67/73/42/887677342.db2.gz IFFDNJIHRBIYOB-RYUDHWBXSA-N 2 1 289.376 -1.628 20 0 CAADMP COC[C@@H](O)C[NH+](C)CCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001371938738 887677349 /nfs/dbraw/zinc/67/73/49/887677349.db2.gz IFFDNJIHRBIYOB-RYUDHWBXSA-N 2 1 289.376 -1.628 20 0 CAADMP C[NH+](C)CCC(=O)NC[C@@H]1CCC[N@@H+]1CC(=O)NC(N)=O ZINC001372539953 887699844 /nfs/dbraw/zinc/69/98/44/887699844.db2.gz CXJBUGYETNKTON-JTQLQIEISA-N 2 1 299.375 -1.286 20 0 CAADMP C[NH+](C)CCC(=O)NC[C@@H]1CCC[N@H+]1CC(=O)NC(N)=O ZINC001372539953 887699851 /nfs/dbraw/zinc/69/98/51/887699851.db2.gz CXJBUGYETNKTON-JTQLQIEISA-N 2 1 299.375 -1.286 20 0 CAADMP C[N@@H+]1CCO[C@@H](C(=O)NCC[C@@H]2CC[NH+](CC(N)=O)C2)C1 ZINC001373145258 887727118 /nfs/dbraw/zinc/72/71/18/887727118.db2.gz BWXGBEWSOCZRTB-VXGBXAGGSA-N 2 1 298.387 -1.370 20 0 CAADMP C[N@H+]1CCO[C@@H](C(=O)NCC[C@@H]2CC[NH+](CC(N)=O)C2)C1 ZINC001373145258 887727131 /nfs/dbraw/zinc/72/71/31/887727131.db2.gz BWXGBEWSOCZRTB-VXGBXAGGSA-N 2 1 298.387 -1.370 20 0 CAADMP C[NH+]1CCO[C@@H](C(=O)NCC[C@@H]2CC[N@H+](CC(N)=O)C2)C1 ZINC001373145258 887727144 /nfs/dbraw/zinc/72/71/44/887727144.db2.gz BWXGBEWSOCZRTB-VXGBXAGGSA-N 2 1 298.387 -1.370 20 0 CAADMP C[NH+]1CCO[C@@H](C(=O)NCC[C@@H]2CC[N@@H+](CC(N)=O)C2)C1 ZINC001373145258 887727156 /nfs/dbraw/zinc/72/71/56/887727156.db2.gz BWXGBEWSOCZRTB-VXGBXAGGSA-N 2 1 298.387 -1.370 20 0 CAADMP C[C@@H](C[NH2+]CC(=O)NC(N)=O)N(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001374323461 887784205 /nfs/dbraw/zinc/78/42/05/887784205.db2.gz BREGLWZDMVQJBL-UWVGGRQHSA-N 2 1 299.375 -1.431 20 0 CAADMP Cn1cnnc1C[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001374592133 887804157 /nfs/dbraw/zinc/80/41/57/887804157.db2.gz UBYCTEKONIKRIW-GHMZBOCLSA-N 2 1 296.375 -1.524 20 0 CAADMP Cn1cnnc1C[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001374592133 887804172 /nfs/dbraw/zinc/80/41/72/887804172.db2.gz UBYCTEKONIKRIW-GHMZBOCLSA-N 2 1 296.375 -1.524 20 0 CAADMP Cn1cc(C[NH2+]C[C@H](O)CNC(=O)[C@H]2CCC[N@@H+]2C)nn1 ZINC001374592335 887805647 /nfs/dbraw/zinc/80/56/47/887805647.db2.gz UOUQXSMJEKPQKZ-NWDGAFQWSA-N 2 1 296.375 -1.524 20 0 CAADMP Cn1cc(C[NH2+]C[C@H](O)CNC(=O)[C@H]2CCC[N@H+]2C)nn1 ZINC001374592335 887805659 /nfs/dbraw/zinc/80/56/59/887805659.db2.gz UOUQXSMJEKPQKZ-NWDGAFQWSA-N 2 1 296.375 -1.524 20 0 CAADMP CN(C)C(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001374631524 887817153 /nfs/dbraw/zinc/81/71/53/887817153.db2.gz CQOARBDSFVBULM-GHMZBOCLSA-N 2 1 286.376 -1.765 20 0 CAADMP Cn1ncnc1C[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001374636289 887819601 /nfs/dbraw/zinc/81/96/01/887819601.db2.gz ZIDXBFBRSLMNDT-GHMZBOCLSA-N 2 1 296.375 -1.524 20 0 CAADMP Cn1ncnc1C[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001374636289 887819616 /nfs/dbraw/zinc/81/96/16/887819616.db2.gz ZIDXBFBRSLMNDT-GHMZBOCLSA-N 2 1 296.375 -1.524 20 0 CAADMP COC[C@@H](O)C[NH2+]C[C@H](O)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001374632272 887819964 /nfs/dbraw/zinc/81/99/64/887819964.db2.gz IXLVTTQAFGWNLJ-SDDRHHMPSA-N 2 1 289.376 -1.845 20 0 CAADMP CNC(=O)C[NH2+]C[C@H](O)CNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001374650596 887823531 /nfs/dbraw/zinc/82/35/31/887823531.db2.gz FIDJMJJOWJAQFG-MNOVXSKESA-N 2 1 286.376 -1.859 20 0 CAADMP Cn1ncc(C[NH2+]C[C@H](O)CNC(=O)[C@H]2CC[N@H+](C)C2)n1 ZINC001374679309 887833719 /nfs/dbraw/zinc/83/37/19/887833719.db2.gz XOXDJMBCVIREMS-JQWIXIFHSA-N 2 1 296.375 -1.667 20 0 CAADMP Cn1ncc(C[NH2+]C[C@H](O)CNC(=O)[C@H]2CC[N@@H+](C)C2)n1 ZINC001374679309 887833729 /nfs/dbraw/zinc/83/37/29/887833729.db2.gz XOXDJMBCVIREMS-JQWIXIFHSA-N 2 1 296.375 -1.667 20 0 CAADMP C[C@H](C[NH2+]CC(=O)NC(N)=O)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001374738452 887839288 /nfs/dbraw/zinc/83/92/88/887839288.db2.gz QLUXDXXYSKWPHO-BDAKNGLRSA-N 2 1 285.348 -1.630 20 0 CAADMP C[C@@H](C[NH2+]CC(=O)NC(N)=O)NC(=O)C[N@@H+](C)C1CCC1 ZINC001374900529 887851352 /nfs/dbraw/zinc/85/13/52/887851352.db2.gz YAVOHTAZLKGNCI-VIFPVBQESA-N 2 1 299.375 -1.240 20 0 CAADMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@@]1(O)CC[NH+](CCO)C1 ZINC001376005733 887898734 /nfs/dbraw/zinc/89/87/34/887898734.db2.gz NUGWXRLRWCFOPF-YPMHNXCESA-N 2 1 271.361 -1.374 20 0 CAADMP C[NH+]1CCC[C@@H]1C(=O)NC[C@@]1(O)CC[N@H+](CCO)C1 ZINC001376005733 887898745 /nfs/dbraw/zinc/89/87/45/887898745.db2.gz NUGWXRLRWCFOPF-YPMHNXCESA-N 2 1 271.361 -1.374 20 0 CAADMP C[NH+]1CCC[C@@H]1C(=O)NC[C@@]1(O)CC[N@@H+](CCO)C1 ZINC001376005733 887898751 /nfs/dbraw/zinc/89/87/51/887898751.db2.gz NUGWXRLRWCFOPF-YPMHNXCESA-N 2 1 271.361 -1.374 20 0 CAADMP NC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001376087450 887903109 /nfs/dbraw/zinc/90/31/09/887903109.db2.gz HLHNDFFBPOSMCU-CQSZACIVSA-N 2 1 296.371 -1.880 20 0 CAADMP NC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001376087450 887903113 /nfs/dbraw/zinc/90/31/13/887903113.db2.gz HLHNDFFBPOSMCU-CQSZACIVSA-N 2 1 296.371 -1.880 20 0 CAADMP CCNC(=O)C[NH2+][C@@H](C)CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001376691683 887948765 /nfs/dbraw/zinc/94/87/65/887948765.db2.gz DAOKCKJXVHYPIS-WDEREUQCSA-N 2 1 286.376 -1.453 20 0 CAADMP CCNC(=O)C[NH2+][C@@H](C)CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001376691683 887948774 /nfs/dbraw/zinc/94/87/74/887948774.db2.gz DAOKCKJXVHYPIS-WDEREUQCSA-N 2 1 286.376 -1.453 20 0 CAADMP CCNC(=O)C[NH2+][C@H](C)CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001376691609 887949541 /nfs/dbraw/zinc/94/95/41/887949541.db2.gz DAOKCKJXVHYPIS-GHMZBOCLSA-N 2 1 286.376 -1.453 20 0 CAADMP CCNC(=O)C[NH2+][C@H](C)CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001376691609 887949546 /nfs/dbraw/zinc/94/95/46/887949546.db2.gz DAOKCKJXVHYPIS-GHMZBOCLSA-N 2 1 286.376 -1.453 20 0 CAADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCO[C@@H](C[NH2+]CC(N)=O)C1 ZINC001376847172 887963338 /nfs/dbraw/zinc/96/33/38/887963338.db2.gz BPCMWNSYAGVHCV-WDEREUQCSA-N 2 1 284.360 -1.617 20 0 CAADMP CNC(=O)C[NH2+][C@H](C)CCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001377022741 887972850 /nfs/dbraw/zinc/97/28/50/887972850.db2.gz JUWMUFVJNITXER-MNOVXSKESA-N 2 1 286.376 -1.453 20 0 CAADMP CNC(=O)C[NH2+][C@H](C)CCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001377022741 887972859 /nfs/dbraw/zinc/97/28/59/887972859.db2.gz JUWMUFVJNITXER-MNOVXSKESA-N 2 1 286.376 -1.453 20 0 CAADMP CC[N@@H+]1CCO[C@H](C(=O)NCC[C@@H](C)[NH2+]CC(N)=O)C1 ZINC001377102530 887976571 /nfs/dbraw/zinc/97/65/71/887976571.db2.gz AKWMTDGVWAAVDT-MNOVXSKESA-N 2 1 286.376 -1.323 20 0 CAADMP CC[N@@H+]1CCO[C@H](C(=O)NCC[C@H](C)[NH2+]CC(N)=O)C1 ZINC001377102540 887976779 /nfs/dbraw/zinc/97/67/79/887976779.db2.gz AKWMTDGVWAAVDT-QWRGUYRKSA-N 2 1 286.376 -1.323 20 0 CAADMP CC[N@H+]1CCO[C@H](C(=O)NCC[C@H](C)[NH2+]CC(N)=O)C1 ZINC001377102540 887976782 /nfs/dbraw/zinc/97/67/82/887976782.db2.gz AKWMTDGVWAAVDT-QWRGUYRKSA-N 2 1 286.376 -1.323 20 0 CAADMP CN(C(=O)CC[NH+](C)C)[C@@H]1CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001378165531 888038213 /nfs/dbraw/zinc/03/82/13/888038213.db2.gz MWVCMHHPLUGBKD-SNVBAGLBSA-N 2 1 299.375 -1.334 20 0 CAADMP CN(C(=O)CC[NH+](C)C)[C@@H]1CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001378165531 888038225 /nfs/dbraw/zinc/03/82/25/888038225.db2.gz MWVCMHHPLUGBKD-SNVBAGLBSA-N 2 1 299.375 -1.334 20 0 CAADMP Cc1[nH+]ccn1CC(=O)NC[C@@H](O)C[NH2+][C@@H](C)C(N)=O ZINC001379290078 888118012 /nfs/dbraw/zinc/11/80/12/888118012.db2.gz QNCQVYNBLDDYFJ-WPRPVWTQSA-N 2 1 283.332 -1.868 20 0 CAADMP C[N@H+]1CC[C@H](C(=O)NC[C@@H](O)C[NH2+]CC(=O)N2CCC2)C1 ZINC001379289006 888117351 /nfs/dbraw/zinc/11/73/51/888117351.db2.gz NOKPRJIZFBJPAX-RYUDHWBXSA-N 2 1 298.387 -1.763 20 0 CAADMP Cc1[nH+]ccn1CC(=O)NC[C@H](O)C[NH2+][C@@H]1CCNC1=O ZINC001379283101 888117482 /nfs/dbraw/zinc/11/74/82/888117482.db2.gz GMKBOIKEFJYGPE-GHMZBOCLSA-N 2 1 295.343 -1.853 20 0 CAADMP C[N@H+]1CC[C@@H](C(=O)NC[C@H](O)C[NH2+]CC(=O)N2CCC2)C1 ZINC001379289009 888119588 /nfs/dbraw/zinc/11/95/88/888119588.db2.gz NOKPRJIZFBJPAX-VXGBXAGGSA-N 2 1 298.387 -1.763 20 0 CAADMP CC[N@@H+]1CCO[C@@H](C(=O)N(C)C[C@H](C)[NH2+]CC(N)=O)C1 ZINC001379326283 888121184 /nfs/dbraw/zinc/12/11/84/888121184.db2.gz UFIFWDIZFLYBJT-WDEREUQCSA-N 2 1 286.376 -1.371 20 0 CAADMP CC[N@H+]1CCO[C@@H](C(=O)N(C)C[C@H](C)[NH2+]CC(N)=O)C1 ZINC001379326283 888121189 /nfs/dbraw/zinc/12/11/89/888121189.db2.gz UFIFWDIZFLYBJT-WDEREUQCSA-N 2 1 286.376 -1.371 20 0 CAADMP CC[N@@H+]1CCO[C@@H](C(=O)N(C)C[C@@H](C)[NH2+]CC(N)=O)C1 ZINC001379326280 888121423 /nfs/dbraw/zinc/12/14/23/888121423.db2.gz UFIFWDIZFLYBJT-GHMZBOCLSA-N 2 1 286.376 -1.371 20 0 CAADMP CC[N@H+]1CCO[C@@H](C(=O)N(C)C[C@@H](C)[NH2+]CC(N)=O)C1 ZINC001379326280 888121425 /nfs/dbraw/zinc/12/14/25/888121425.db2.gz UFIFWDIZFLYBJT-GHMZBOCLSA-N 2 1 286.376 -1.371 20 0 CAADMP Cn1nccc1C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001379293605 888121699 /nfs/dbraw/zinc/12/16/99/888121699.db2.gz XEJSCHPHKBVTSO-DGCLKSJQSA-N 2 1 295.387 -1.062 20 0 CAADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H](CO)[NH2+]CCO)CC[N@H+]1C ZINC001379392248 888133853 /nfs/dbraw/zinc/13/38/53/888133853.db2.gz BYQPJWYWLIUEJL-SDDRHHMPSA-N 2 1 273.377 -1.224 20 0 CAADMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](CO)[NH2+]CCO ZINC001379413661 888139558 /nfs/dbraw/zinc/13/95/58/888139558.db2.gz QDTSDCWWNHZJSF-RYUDHWBXSA-N 2 1 273.377 -1.080 20 0 CAADMP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](CO)[NH2+]CC(N)=O ZINC001379411103 888139613 /nfs/dbraw/zinc/13/96/13/888139613.db2.gz LEKWPHDVHOIFRF-GHMZBOCLSA-N 2 1 286.376 -1.587 20 0 CAADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@H](CO)[NH2+]CC(N)=O ZINC001379411103 888139618 /nfs/dbraw/zinc/13/96/18/888139618.db2.gz LEKWPHDVHOIFRF-GHMZBOCLSA-N 2 1 286.376 -1.587 20 0 CAADMP C[C@@H]([NH2+][C@H](CO)CNC(=O)C[N@@H+](C)C1CCC1)C(N)=O ZINC001379406670 888140115 /nfs/dbraw/zinc/14/01/15/888140115.db2.gz ALCNNGSVYMZEPJ-ZJUUUORDSA-N 2 1 286.376 -1.589 20 0 CAADMP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](CO)[NH2+]CC(N)=O ZINC001379411106 888140252 /nfs/dbraw/zinc/14/02/52/888140252.db2.gz LEKWPHDVHOIFRF-WDEREUQCSA-N 2 1 286.376 -1.587 20 0 CAADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](CO)[NH2+]CC(N)=O ZINC001379411106 888140257 /nfs/dbraw/zinc/14/02/57/888140257.db2.gz LEKWPHDVHOIFRF-WDEREUQCSA-N 2 1 286.376 -1.587 20 0 CAADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@H](CO)[NH2+]CCO ZINC001379409758 888140705 /nfs/dbraw/zinc/14/07/05/888140705.db2.gz XFYGRVIEFLBZJM-VXGBXAGGSA-N 2 1 273.377 -1.082 20 0 CAADMP C[C@H](C[NH2+]CC(=O)NC(N)=O)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001379416626 888140797 /nfs/dbraw/zinc/14/07/97/888140797.db2.gz LNHMGCZUZQUMIT-NXEZZACHSA-N 2 1 299.375 -1.383 20 0 CAADMP C[C@@H]([NH2+][C@@H](CO)CNC(=O)C[N@@H+](C)C1CCC1)C(N)=O ZINC001379406667 888141325 /nfs/dbraw/zinc/14/13/25/888141325.db2.gz ALCNNGSVYMZEPJ-NXEZZACHSA-N 2 1 286.376 -1.589 20 0 CAADMP CC[C@@H]([NH2+][C@@H](CO)CNC(=O)Cn1c[nH+]cc1C)C(N)=O ZINC001379440496 888143174 /nfs/dbraw/zinc/14/31/74/888143174.db2.gz JHLAEEZLXVQHSO-GHMZBOCLSA-N 2 1 297.359 -1.478 20 0 CAADMP COC[C@@H](O)C[NH2+]C[C@H](C)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001379490208 888152925 /nfs/dbraw/zinc/15/29/25/888152925.db2.gz DRCQFEWMPKGGKG-SDDRHHMPSA-N 2 1 289.376 -1.581 20 0 CAADMP COC[C@@H](O)C[NH2+]C[C@H](C)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001379490208 888152932 /nfs/dbraw/zinc/15/29/32/888152932.db2.gz DRCQFEWMPKGGKG-SDDRHHMPSA-N 2 1 289.376 -1.581 20 0 CAADMP CNC(=O)[C@@H](C)[NH2+][C@H](CO)CNC(=O)C[N@@H+](C)C(C)C ZINC001379526654 888161216 /nfs/dbraw/zinc/16/12/16/888161216.db2.gz RCLYTIKMZGSVMV-MNOVXSKESA-N 2 1 288.392 -1.472 20 0 CAADMP C[N@H+]1CC[C@H](C(=O)NC[C@H](CO)[NH2+]CC(=O)NC2CC2)C1 ZINC001379524838 888159591 /nfs/dbraw/zinc/15/95/91/888159591.db2.gz GKKRJYYUJPUGFQ-CMPLNLGQSA-N 2 1 298.387 -1.717 20 0 CAADMP CNC(=O)[C@H](C)[NH2+][C@@H](CO)CNC(=O)C[N@@H+](C)C(C)C ZINC001379526657 888159952 /nfs/dbraw/zinc/15/99/52/888159952.db2.gz RCLYTIKMZGSVMV-WDEREUQCSA-N 2 1 288.392 -1.472 20 0 CAADMP CNC(=O)[C@H](C)[NH2+][C@H](CO)CNC(=O)C[N@@H+](C)C(C)C ZINC001379526656 888160609 /nfs/dbraw/zinc/16/06/09/888160609.db2.gz RCLYTIKMZGSVMV-QWRGUYRKSA-N 2 1 288.392 -1.472 20 0 CAADMP C[N@H+]1CC[C@H](C(=O)NC[C@@H](CO)[NH2+]CC(=O)NC2CC2)C1 ZINC001379524842 888160633 /nfs/dbraw/zinc/16/06/33/888160633.db2.gz GKKRJYYUJPUGFQ-JQWIXIFHSA-N 2 1 298.387 -1.717 20 0 CAADMP Cc1[nH+]ccn1CC(=O)NC[C@H](CO)[NH2+][C@@H](C)C(N)=O ZINC001379531560 888164116 /nfs/dbraw/zinc/16/41/16/888164116.db2.gz WKGQPYUQCCKHGO-WCBMZHEXSA-N 2 1 283.332 -1.868 20 0 CAADMP Cc1[nH+]ccn1CC(=O)N[C@@H](C)C[NH2+]CC(=O)NC(N)=O ZINC001379594303 888167410 /nfs/dbraw/zinc/16/74/10/888167410.db2.gz BSPDQLIRLMNJHQ-QMMMGPOBSA-N 2 1 296.331 -1.519 20 0 CAADMP Cc1[nH+]ccn1CC(=O)N(C)C[C@@H](O)C[NH2+]C[C@H](C)O ZINC001379856790 888176242 /nfs/dbraw/zinc/17/62/42/888176242.db2.gz GCFYTBJJSLCEJV-JQWIXIFHSA-N 2 1 284.360 -1.019 20 0 CAADMP Cc1[nH+]ccn1CC(=O)N(C)C[C@H](O)C[NH2+]C[C@@H](C)O ZINC001379856793 888176345 /nfs/dbraw/zinc/17/63/45/888176345.db2.gz GCFYTBJJSLCEJV-ZYHUDNBSSA-N 2 1 284.360 -1.019 20 0 CAADMP CN(C[C@H](O)C[N@@H+](C)CCO)C(=O)[C@@H]1CN(C)CCO1 ZINC001379921047 888179123 /nfs/dbraw/zinc/17/91/23/888179123.db2.gz XSLBLNDABVVMFP-NEPJUHHUSA-N 2 1 289.376 -1.940 20 0 CAADMP CN(C[C@H](O)C[N@H+](C)CCO)C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001379921047 888179126 /nfs/dbraw/zinc/17/91/26/888179126.db2.gz XSLBLNDABVVMFP-NEPJUHHUSA-N 2 1 289.376 -1.940 20 0 CAADMP CN(C[C@H](O)C[N@@H+](C)CCO)C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001379921047 888179131 /nfs/dbraw/zinc/17/91/31/888179131.db2.gz XSLBLNDABVVMFP-NEPJUHHUSA-N 2 1 289.376 -1.940 20 0 CAADMP CN(C[C@H](O)C[NH+](C)CCO)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001379921047 888179134 /nfs/dbraw/zinc/17/91/34/888179134.db2.gz XSLBLNDABVVMFP-NEPJUHHUSA-N 2 1 289.376 -1.940 20 0 CAADMP CN(C[C@H](O)C[NH+](C)CCO)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001379921047 888179139 /nfs/dbraw/zinc/17/91/39/888179139.db2.gz XSLBLNDABVVMFP-NEPJUHHUSA-N 2 1 289.376 -1.940 20 0 CAADMP CN(C[C@@H](O)C[N@H+](C)CCO)C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001379921058 888184649 /nfs/dbraw/zinc/18/46/49/888184649.db2.gz XSLBLNDABVVMFP-RYUDHWBXSA-N 2 1 289.376 -1.940 20 0 CAADMP CN(C[C@@H](O)C[N@@H+](C)CCO)C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001379921058 888184658 /nfs/dbraw/zinc/18/46/58/888184658.db2.gz XSLBLNDABVVMFP-RYUDHWBXSA-N 2 1 289.376 -1.940 20 0 CAADMP CN(C[C@@H](O)C[NH+](C)CCO)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001379921058 888184663 /nfs/dbraw/zinc/18/46/63/888184663.db2.gz XSLBLNDABVVMFP-RYUDHWBXSA-N 2 1 289.376 -1.940 20 0 CAADMP CN(C[C@@H](O)C[NH+](C)CCO)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001379921058 888184669 /nfs/dbraw/zinc/18/46/69/888184669.db2.gz XSLBLNDABVVMFP-RYUDHWBXSA-N 2 1 289.376 -1.940 20 0 CAADMP Cc1[nH+]ccn1CC(=O)N(C)C[C@@H](O)C[N@H+](C)CCO ZINC001379977419 888187932 /nfs/dbraw/zinc/18/79/32/888187932.db2.gz YNSGTKGIJATZFA-LBPRGKRZSA-N 2 1 284.360 -1.065 20 0 CAADMP Cc1[nH+]ccn1CC(=O)N(C)C[C@@H](O)C[N@@H+](C)CCO ZINC001379977419 888187937 /nfs/dbraw/zinc/18/79/37/888187937.db2.gz YNSGTKGIJATZFA-LBPRGKRZSA-N 2 1 284.360 -1.065 20 0 CAADMP CCC[N@@H+](C)CC(=O)NCC1([NH2+]CC(=O)NC(N)=O)CC1 ZINC001380161543 888194362 /nfs/dbraw/zinc/19/43/62/888194362.db2.gz ZUAAECSCGCPOKV-UHFFFAOYSA-N 2 1 299.375 -1.239 20 0 CAADMP C[C@@H](O)C[N@H+]1CC[C@](O)(CNC(=O)CC[NH+](C)C)C1 ZINC001380553007 888209100 /nfs/dbraw/zinc/20/91/00/888209100.db2.gz MURUQAWVPPBRHI-YPMHNXCESA-N 2 1 273.377 -1.128 20 0 CAADMP C[C@H]1CC[N@@H+](CC(=O)N2CCO[C@H](C[NH2+]CC(N)=O)C2)C1 ZINC001380909271 888234881 /nfs/dbraw/zinc/23/48/81/888234881.db2.gz AZCNLTQKNAZJJA-NWDGAFQWSA-N 2 1 298.387 -1.370 20 0 CAADMP Cc1c[nH+]cn1CC(=O)N1CCO[C@H](C[NH2+]CC(N)=O)C1 ZINC001380915149 888235473 /nfs/dbraw/zinc/23/54/73/888235473.db2.gz QHQRDMZIUCNZTH-LLVKDONJSA-N 2 1 295.343 -1.506 20 0 CAADMP Cc1c[nH+]cn1CC(=O)N1CCO[C@@H](C[NH2+]CC(N)=O)C1 ZINC001380915151 888237345 /nfs/dbraw/zinc/23/73/45/888237345.db2.gz QHQRDMZIUCNZTH-NSHDSACASA-N 2 1 295.343 -1.506 20 0 CAADMP CNC(=O)C[NH2+][C@@H](C)CN(C)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001382059800 888273887 /nfs/dbraw/zinc/27/38/87/888273887.db2.gz NJGWRXYBGBNUQH-WDEREUQCSA-N 2 1 286.376 -1.501 20 0 CAADMP CNC(=O)C[NH2+][C@@H](C)CN(C)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001382059800 888273897 /nfs/dbraw/zinc/27/38/97/888273897.db2.gz NJGWRXYBGBNUQH-WDEREUQCSA-N 2 1 286.376 -1.501 20 0 CAADMP CNC(=O)C[NH2+][C@H](C)CN(C)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001382059777 888274113 /nfs/dbraw/zinc/27/41/13/888274113.db2.gz NJGWRXYBGBNUQH-GHMZBOCLSA-N 2 1 286.376 -1.501 20 0 CAADMP CNC(=O)C[NH2+][C@H](C)CN(C)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001382059777 888274127 /nfs/dbraw/zinc/27/41/27/888274127.db2.gz NJGWRXYBGBNUQH-GHMZBOCLSA-N 2 1 286.376 -1.501 20 0 CAADMP CN(C)C(=O)C[NH2+][C@H](CO)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001382184208 888289811 /nfs/dbraw/zinc/28/98/11/888289811.db2.gz NJGHVLHDYPIHFT-WDEREUQCSA-N 2 1 286.376 -1.765 20 0 CAADMP C[C@H]1CC[N@H+](CC(=O)NC[C@H](CO)[NH2+]CC(N)=O)C1 ZINC001382243295 888314058 /nfs/dbraw/zinc/31/40/58/888314058.db2.gz FSAHGMWZSFDLKV-VHSXEESVSA-N 2 1 272.349 -2.120 20 0 CAADMP C[C@H]1CC[N@@H+](CC(=O)NC[C@H](CO)[NH2+]CC(N)=O)C1 ZINC001382243295 888314070 /nfs/dbraw/zinc/31/40/70/888314070.db2.gz FSAHGMWZSFDLKV-VHSXEESVSA-N 2 1 272.349 -2.120 20 0 CAADMP C[N@@H+](CC(=O)NC[C@H](CO)[NH2+]CC(N)=O)CC(C)(C)C ZINC001382258766 888318258 /nfs/dbraw/zinc/31/82/58/888318258.db2.gz YHIPDJBQHCUFEA-SNVBAGLBSA-N 2 1 288.392 -1.484 20 0 CAADMP O=C(CC[NH+]1CCOCC1)NC[C@H](CO)[NH2+]CCO ZINC001382256576 888318870 /nfs/dbraw/zinc/31/88/70/888318870.db2.gz OXQWJYXNEFCBCI-LLVKDONJSA-N 2 1 275.349 -2.232 20 0 CAADMP O=C(CC[NH+]1CCOCC1)NC[C@@H](CO)[NH2+]CCO ZINC001382256584 888319580 /nfs/dbraw/zinc/31/95/80/888319580.db2.gz OXQWJYXNEFCBCI-NSHDSACASA-N 2 1 275.349 -2.232 20 0 CAADMP CNC(=O)[C@H](C)[NH2+][C@@H](CO)CNC(=O)Cn1cc[nH+]c1C ZINC001382276766 888324680 /nfs/dbraw/zinc/32/46/80/888324680.db2.gz XRCMPFDWRLEVPZ-GXSJLCMTSA-N 2 1 297.359 -1.607 20 0 CAADMP Cc1[nH+]ccn1CC(=O)NC[C@H](CO)[NH2+]C[C@@H](C)O ZINC001382275379 888325531 /nfs/dbraw/zinc/32/55/31/888325531.db2.gz SQSGTHUMCSDFGL-MWLCHTKSSA-N 2 1 270.333 -1.361 20 0 CAADMP CN(C[C@H](O)C[NH2+]CC(N)=O)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001382378443 888344383 /nfs/dbraw/zinc/34/43/83/888344383.db2.gz BTXFVDFGIKEBQV-NXEZZACHSA-N 2 1 288.348 -2.789 20 0 CAADMP CN(C[C@H](O)C[NH2+]CC(N)=O)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001382378443 888344398 /nfs/dbraw/zinc/34/43/98/888344398.db2.gz BTXFVDFGIKEBQV-NXEZZACHSA-N 2 1 288.348 -2.789 20 0 CAADMP CN(C[C@@H](O)C[NH2+]CC(N)=O)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001382378459 888344930 /nfs/dbraw/zinc/34/49/30/888344930.db2.gz BTXFVDFGIKEBQV-UWVGGRQHSA-N 2 1 288.348 -2.789 20 0 CAADMP CN(C[C@@H](O)C[NH2+]CC(N)=O)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001382378459 888344943 /nfs/dbraw/zinc/34/49/43/888344943.db2.gz BTXFVDFGIKEBQV-UWVGGRQHSA-N 2 1 288.348 -2.789 20 0 CAADMP CN(C[C@@H](O)C[N@H+](C)CC(N)=O)C(=O)[C@H]1CC[NH+](C)C1 ZINC001382479727 888364922 /nfs/dbraw/zinc/36/49/22/888364922.db2.gz GXRWAWWCVQPBBR-QWRGUYRKSA-N 2 1 286.376 -1.826 20 0 CAADMP CN(C[C@@H](O)C[N@@H+](C)CC(N)=O)C(=O)[C@H]1CC[NH+](C)C1 ZINC001382479727 888364931 /nfs/dbraw/zinc/36/49/31/888364931.db2.gz GXRWAWWCVQPBBR-QWRGUYRKSA-N 2 1 286.376 -1.826 20 0 CAADMP CN(C[C@@H](O)C[NH+](C)CC(N)=O)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001382479727 888364955 /nfs/dbraw/zinc/36/49/55/888364955.db2.gz GXRWAWWCVQPBBR-QWRGUYRKSA-N 2 1 286.376 -1.826 20 0 CAADMP CN(C[C@@H](O)C[NH+](C)CC(N)=O)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001382479727 888364964 /nfs/dbraw/zinc/36/49/64/888364964.db2.gz GXRWAWWCVQPBBR-QWRGUYRKSA-N 2 1 286.376 -1.826 20 0 CAADMP C[C@@H](C(=O)NC(N)=O)[N@@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001389489201 888550010 /nfs/dbraw/zinc/55/00/10/888550010.db2.gz QJIWWCMFQLZXQK-VHSXEESVSA-N 2 1 299.375 -1.288 20 0 CAADMP C[C@@H](C(=O)NC(N)=O)[N@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001389489201 888550017 /nfs/dbraw/zinc/55/00/17/888550017.db2.gz QJIWWCMFQLZXQK-VHSXEESVSA-N 2 1 299.375 -1.288 20 0 CAADMP CC[N@@H+]1CCO[C@H](C(=O)NC[C@@H]([NH2+]CC(N)=O)C2CC2)C1 ZINC001389688032 888557581 /nfs/dbraw/zinc/55/75/81/888557581.db2.gz LMIFNXRVTBXTTP-NEPJUHHUSA-N 2 1 298.387 -1.323 20 0 CAADMP CC[N@H+]1CCO[C@H](C(=O)NC[C@@H]([NH2+]CC(N)=O)C2CC2)C1 ZINC001389688032 888557590 /nfs/dbraw/zinc/55/75/90/888557590.db2.gz LMIFNXRVTBXTTP-NEPJUHHUSA-N 2 1 298.387 -1.323 20 0 CAADMP CNC(=O)C[NH2+][C@@H](C)CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001390331545 888576033 /nfs/dbraw/zinc/57/60/33/888576033.db2.gz UCCHQBAKVGWIEP-UWVGGRQHSA-N 2 1 272.349 -1.843 20 0 CAADMP CNC(=O)C[NH2+][C@@H](C)CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001390331545 888576039 /nfs/dbraw/zinc/57/60/39/888576039.db2.gz UCCHQBAKVGWIEP-UWVGGRQHSA-N 2 1 272.349 -1.843 20 0 CAADMP C[C@@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)[NH2+]CC(=O)NC1CC1 ZINC001390332099 888577962 /nfs/dbraw/zinc/57/79/62/888577962.db2.gz VNRGTOQXXKMDLC-JQWIXIFHSA-N 2 1 298.387 -1.310 20 0 CAADMP C[C@@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)[NH2+]CC(=O)NC1CC1 ZINC001390332099 888577970 /nfs/dbraw/zinc/57/79/70/888577970.db2.gz VNRGTOQXXKMDLC-JQWIXIFHSA-N 2 1 298.387 -1.310 20 0 CAADMP C[C@H](CNC(=O)[C@@H]1CCCC[N@H+]1C)[NH2+]CC(=O)NC(N)=O ZINC001390453517 888580166 /nfs/dbraw/zinc/58/01/66/888580166.db2.gz LYDWDBTYLPDQTI-ZJUUUORDSA-N 2 1 299.375 -1.240 20 0 CAADMP C[C@@H](CNC(=O)[C@H]1CCC[N@H+]1C)[NH2+]CC(=O)NC(N)=O ZINC001390464025 888585032 /nfs/dbraw/zinc/58/50/32/888585032.db2.gz XAPDEZQJJBADRO-DTWKUNHWSA-N 2 1 285.348 -1.630 20 0 CAADMP CC[N@@H+]1CCO[C@H](C(=O)N2CC[C@H]([NH2+]CC(=O)NC)C2)C1 ZINC001390577826 888587906 /nfs/dbraw/zinc/58/79/06/888587906.db2.gz VFOUCIXTGYEOCP-RYUDHWBXSA-N 2 1 298.387 -1.356 20 0 CAADMP CC[N@H+]1CCO[C@H](C(=O)N2CC[C@H]([NH2+]CC(=O)NC)C2)C1 ZINC001390577826 888587916 /nfs/dbraw/zinc/58/79/16/888587916.db2.gz VFOUCIXTGYEOCP-RYUDHWBXSA-N 2 1 298.387 -1.356 20 0 CAADMP C[C@@H](CCNC(=O)CC[NH+]1CCOCC1)[NH2+]CC(N)=O ZINC001390706870 888593052 /nfs/dbraw/zinc/59/30/52/888593052.db2.gz QRSBYRDWPOPDMA-NSHDSACASA-N 2 1 286.376 -1.322 20 0 CAADMP CC[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)[NH2+]CC(=O)NC(N)=O ZINC001391746980 888643132 /nfs/dbraw/zinc/64/31/32/888643132.db2.gz DHAHAEXXZZVOOQ-ZJUUUORDSA-N 2 1 299.375 -1.383 20 0 CAADMP CC[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)[NH2+]CC(=O)NC(N)=O ZINC001391746978 888643541 /nfs/dbraw/zinc/64/35/41/888643541.db2.gz DHAHAEXXZZVOOQ-UWVGGRQHSA-N 2 1 299.375 -1.383 20 0 CAADMP CC[N@@H+]1CCO[C@H](C(=O)N2CCC[C@@H]2C[NH2+]CC(N)=O)C1 ZINC001391861375 888647421 /nfs/dbraw/zinc/64/74/21/888647421.db2.gz MEHAZSNHXQCVAS-NEPJUHHUSA-N 2 1 298.387 -1.227 20 0 CAADMP CC[N@H+]1CCO[C@H](C(=O)N2CCC[C@@H]2C[NH2+]CC(N)=O)C1 ZINC001391861375 888647424 /nfs/dbraw/zinc/64/74/24/888647424.db2.gz MEHAZSNHXQCVAS-NEPJUHHUSA-N 2 1 298.387 -1.227 20 0 CAADMP CNC(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001392384979 888689641 /nfs/dbraw/zinc/68/96/41/888689641.db2.gz IXQJDHVCDREHLB-MNOVXSKESA-N 2 1 286.376 -1.717 20 0 CAADMP C[NH+](C)CC1(C(=O)NC[C@H](O)C[NH2+]Cc2cnon2)CC1 ZINC001392387977 888690864 /nfs/dbraw/zinc/69/08/64/888690864.db2.gz AWJFHPMFHJEEJP-LLVKDONJSA-N 2 1 297.359 -1.022 20 0 CAADMP CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)Cn1c[nH+]cc1C ZINC001392391014 888694232 /nfs/dbraw/zinc/69/42/32/888694232.db2.gz QGPZMVNOLVAPPA-LLVKDONJSA-N 2 1 297.359 -1.606 20 0 CAADMP Cn1cnnc1C[NH2+]C[C@H](O)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001392415986 888703378 /nfs/dbraw/zinc/70/33/78/888703378.db2.gz ALCMUBKRAWSDLU-QWRGUYRKSA-N 2 1 296.375 -1.667 20 0 CAADMP Cn1cnnc1C[NH2+]C[C@H](O)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001392415986 888703396 /nfs/dbraw/zinc/70/33/96/888703396.db2.gz ALCMUBKRAWSDLU-QWRGUYRKSA-N 2 1 296.375 -1.667 20 0 CAADMP Cn1nncc1C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001392421591 888704961 /nfs/dbraw/zinc/70/49/61/888704961.db2.gz GIXDEHUHQZGBPI-ZYHUDNBSSA-N 2 1 296.375 -1.667 20 0 CAADMP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H](O)C[NH2+]CC(N)=O ZINC001392434375 888705349 /nfs/dbraw/zinc/70/53/49/888705349.db2.gz XGFVXBBNSFQHSJ-WDEREUQCSA-N 2 1 286.376 -1.587 20 0 CAADMP CNC(=O)C[NH2+]C[C@@H](O)CNC(=O)C[N@@H+](C)C(C)C ZINC001392427037 888706724 /nfs/dbraw/zinc/70/67/24/888706724.db2.gz LJRDUYOGZLBBJA-SNVBAGLBSA-N 2 1 274.365 -1.861 20 0 CAADMP CC[C@@H](C(=O)NC[C@@H](O)C[NH2+]Cc1cnn(C)n1)[NH+](C)C ZINC001392425450 888707978 /nfs/dbraw/zinc/70/79/78/888707978.db2.gz WLSUDXIOGDWJTR-RYUDHWBXSA-N 2 1 298.391 -1.278 20 0 CAADMP C[C@H](C[NH2+]CC(=O)NC(N)=O)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001392478652 888716099 /nfs/dbraw/zinc/71/60/99/888716099.db2.gz YOCSSHOMVSRDJQ-OPRDCNLKSA-N 2 1 299.375 -1.384 20 0 CAADMP C[C@H](C[NH2+]Cc1nnnn1C)NC(=O)C12CC[NH+](CC1)C2 ZINC001392525061 888718162 /nfs/dbraw/zinc/71/81/62/888718162.db2.gz SQLJYULHRADKAR-SNVBAGLBSA-N 2 1 293.375 -1.100 20 0 CAADMP CNC(=O)NC(=O)C[NH2+]C[C@H](C)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001392613755 888727618 /nfs/dbraw/zinc/72/76/18/888727618.db2.gz MGKKEGTXFRXITQ-VHSXEESVSA-N 2 1 299.375 -1.512 20 0 CAADMP CNC(=O)NC(=O)C[NH2+]C[C@H](C)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001392613731 888728111 /nfs/dbraw/zinc/72/81/11/888728111.db2.gz MGKKEGTXFRXITQ-UWVGGRQHSA-N 2 1 299.375 -1.512 20 0 CAADMP C[C@@H](C[N@H+](C)CC(=O)NC(N)=O)NC(=O)C[NH+]1CCCC1 ZINC001392719424 888731811 /nfs/dbraw/zinc/73/18/11/888731811.db2.gz AEAQESHXTMYRAW-JTQLQIEISA-N 2 1 299.375 -1.286 20 0 CAADMP C[C@@H](C[N@@H+](C)CC(=O)NC(N)=O)NC(=O)C[NH+]1CCCC1 ZINC001392719424 888731821 /nfs/dbraw/zinc/73/18/21/888731821.db2.gz AEAQESHXTMYRAW-JTQLQIEISA-N 2 1 299.375 -1.286 20 0 CAADMP CC[C@H](C(=O)NC[C@]1(O)CC[N@@H+](CCO)C1)[NH+](C)C ZINC001393284903 888771686 /nfs/dbraw/zinc/77/16/86/888771686.db2.gz ONSNNKMJYXAYKL-DGCLKSJQSA-N 2 1 273.377 -1.128 20 0 CAADMP CC[C@H](C(=O)NC[C@@]1(O)CC[N@@H+](CCO)C1)[NH+](C)C ZINC001393284910 888772818 /nfs/dbraw/zinc/77/28/18/888772818.db2.gz ONSNNKMJYXAYKL-YPMHNXCESA-N 2 1 273.377 -1.128 20 0 CAADMP C[N@@H+]1CCO[C@H](C(=O)NCC2([NH2+]CC(N)=O)CCC2)C1 ZINC001393547227 888794522 /nfs/dbraw/zinc/79/45/22/888794522.db2.gz SFULSWRCKREJDB-JTQLQIEISA-N 2 1 284.360 -1.569 20 0 CAADMP C[N@H+]1CCO[C@H](C(=O)NCC2([NH2+]CC(N)=O)CCC2)C1 ZINC001393547227 888794535 /nfs/dbraw/zinc/79/45/35/888794535.db2.gz SFULSWRCKREJDB-JTQLQIEISA-N 2 1 284.360 -1.569 20 0 CAADMP C[N@H+]1CC[C@H](C(=O)N2CCO[C@H](C[NH2+]CC(N)=O)C2)C1 ZINC001393587806 888794889 /nfs/dbraw/zinc/79/48/89/888794889.db2.gz TUNPTFGXJSDEKK-WDEREUQCSA-N 2 1 284.360 -1.760 20 0 CAADMP C[N@H+]1CC[C@H](C(=O)N2CCO[C@@H](C[NH2+]CC(N)=O)C2)C1 ZINC001393587805 888796287 /nfs/dbraw/zinc/79/62/87/888796287.db2.gz TUNPTFGXJSDEKK-QWRGUYRKSA-N 2 1 284.360 -1.760 20 0 CAADMP C[N@H+]1CC[C@@H](C(=O)N2CCC(O)(C[NH2+]CC(N)=O)CC2)C1 ZINC001393778590 888804788 /nfs/dbraw/zinc/80/47/88/888804788.db2.gz VNGXZWMOZXNWLB-LLVKDONJSA-N 2 1 298.387 -1.634 20 0 CAADMP CNC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001394349870 888826946 /nfs/dbraw/zinc/82/69/46/888826946.db2.gz WSUKVDGQOKCYSX-CNDDSTCGSA-N 2 1 282.388 -1.022 20 0 CAADMP CN(C(=O)[C@H]1C[N@H+](C)CCO1)[C@@H](C[NH2+]CC(N)=O)C1CC1 ZINC001394429275 888832046 /nfs/dbraw/zinc/83/20/46/888832046.db2.gz QPRSOKJIXZMSBM-NWDGAFQWSA-N 2 1 298.387 -1.371 20 0 CAADMP CN(C(=O)[C@H]1C[N@@H+](C)CCO1)[C@@H](C[NH2+]CC(N)=O)C1CC1 ZINC001394429275 888832061 /nfs/dbraw/zinc/83/20/61/888832061.db2.gz QPRSOKJIXZMSBM-NWDGAFQWSA-N 2 1 298.387 -1.371 20 0 CAADMP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@@H](CO)[NH2+]CCO ZINC001394642680 888868559 /nfs/dbraw/zinc/86/85/59/888868559.db2.gz CXMTVBQDDWGJBA-RYUDHWBXSA-N 2 1 273.377 -1.080 20 0 CAADMP Cn1nccc1C[NH2+][C@H](CO)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001394658509 888877916 /nfs/dbraw/zinc/87/79/16/888877916.db2.gz XMEDESRLRQEKNT-NEPJUHHUSA-N 2 1 295.387 -1.062 20 0 CAADMP Cn1nccc1C[NH2+][C@H](CO)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001394658518 888878229 /nfs/dbraw/zinc/87/82/29/888878229.db2.gz XMEDESRLRQEKNT-RYUDHWBXSA-N 2 1 295.387 -1.062 20 0 CAADMP CN(C[C@@H](O)C[NH2+]CC(N)=O)C(=O)C[N@@H+](C)C1CCC1 ZINC001394743506 888888959 /nfs/dbraw/zinc/88/89/59/888888959.db2.gz RWCBZMDPQPPJRJ-NSHDSACASA-N 2 1 286.376 -1.635 20 0 CAADMP CC(C)[N@@H+](C)CC(=O)N(C)C[C@@H](O)C[NH2+]CC(N)=O ZINC001394765691 888893441 /nfs/dbraw/zinc/89/34/41/888893441.db2.gz RNFKCKHSKFLDFV-JTQLQIEISA-N 2 1 274.365 -1.779 20 0 CAADMP CN(C[C@H](O)C[NH2+]Cc1cnon1)C(=O)CC[NH+](C)C ZINC001394761959 888893907 /nfs/dbraw/zinc/89/39/07/888893907.db2.gz PDWSJXZFIDIQKB-LLVKDONJSA-N 2 1 285.348 -1.070 20 0 CAADMP CN(C[C@H](O)C[N@H+](C)CC(N)=O)C(=O)C12CC[NH+](CC1)C2 ZINC001394780081 888896571 /nfs/dbraw/zinc/89/65/71/888896571.db2.gz CYQKBAZSYLWOEK-LLVKDONJSA-N 2 1 298.387 -1.681 20 0 CAADMP CN(C[C@H](O)C[N@@H+](C)CC(N)=O)C(=O)C12CC[NH+](CC1)C2 ZINC001394780081 888896585 /nfs/dbraw/zinc/89/65/85/888896585.db2.gz CYQKBAZSYLWOEK-LLVKDONJSA-N 2 1 298.387 -1.681 20 0 CAADMP NC(=O)C[NH2+][C@@H](CNC(=O)CC[NH+]1CCOCC1)C1CC1 ZINC001398439984 888995494 /nfs/dbraw/zinc/99/54/94/888995494.db2.gz IMEKJBIWKUXHRI-LBPRGKRZSA-N 2 1 298.387 -1.322 20 0 CAADMP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@@H](C)[NH2+]CC(N)=O)C1 ZINC001399153124 889030949 /nfs/dbraw/zinc/03/09/49/889030949.db2.gz HRAVJRMUXKKVET-NXEZZACHSA-N 2 1 272.349 -1.713 20 0 CAADMP CC[N@H+]1CCO[C@@H](C(=O)NC[C@@H](C)[NH2+]CC(N)=O)C1 ZINC001399153124 889030964 /nfs/dbraw/zinc/03/09/64/889030964.db2.gz HRAVJRMUXKKVET-NXEZZACHSA-N 2 1 272.349 -1.713 20 0 CAADMP C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1nnnn1C ZINC001399108604 889031507 /nfs/dbraw/zinc/03/15/07/889031507.db2.gz KCXFUGJCKOJWMJ-VHSXEESVSA-N 2 1 281.364 -1.244 20 0 CAADMP C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)[NH2+]Cc1nnnn1C ZINC001399108604 889031518 /nfs/dbraw/zinc/03/15/18/889031518.db2.gz KCXFUGJCKOJWMJ-VHSXEESVSA-N 2 1 281.364 -1.244 20 0 CAADMP C[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]Cc1nnnn1C ZINC001399108618 889033408 /nfs/dbraw/zinc/03/34/08/889033408.db2.gz KCXFUGJCKOJWMJ-ZJUUUORDSA-N 2 1 281.364 -1.244 20 0 CAADMP C[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)[NH2+]Cc1nnnn1C ZINC001399108618 889033418 /nfs/dbraw/zinc/03/34/18/889033418.db2.gz KCXFUGJCKOJWMJ-ZJUUUORDSA-N 2 1 281.364 -1.244 20 0 CAADMP Cc1[nH+]ccn1CC(=O)NC[C@H](C)[NH2+]CC(=O)NC(N)=O ZINC001399128104 889033790 /nfs/dbraw/zinc/03/37/90/889033790.db2.gz WOGHFMAETJSZBR-QMMMGPOBSA-N 2 1 296.331 -1.519 20 0 CAADMP C[NH+](C)CCC(=O)NC[C@@H]1CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001399925299 889076142 /nfs/dbraw/zinc/07/61/42/889076142.db2.gz GPADCKHPXFLSES-JTQLQIEISA-N 2 1 299.375 -1.429 20 0 CAADMP C[NH+](C)CCC(=O)NC[C@H]1CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001399925304 889077296 /nfs/dbraw/zinc/07/72/96/889077296.db2.gz GPADCKHPXFLSES-SNVBAGLBSA-N 2 1 299.375 -1.429 20 0 CAADMP C[C@H](C[NH2+]CC(=O)NC(N)=O)N(C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001401204021 889132782 /nfs/dbraw/zinc/13/27/82/889132782.db2.gz QGKIWLAWQNJFDZ-ZJUUUORDSA-N 2 1 299.375 -1.288 20 0 CAADMP C[N@@H+]1CC[C@@H](CC(=O)NC[C@H](O)C[NH2+]Cc2cnon2)C1 ZINC001401585549 889163454 /nfs/dbraw/zinc/16/34/54/889163454.db2.gz PQNNGLZHDJGFFD-CMPLNLGQSA-N 2 1 297.359 -1.022 20 0 CAADMP C[N@H+]1CC[C@@H](CC(=O)NC[C@H](O)C[NH2+]Cc2cnon2)C1 ZINC001401585549 889163459 /nfs/dbraw/zinc/16/34/59/889163459.db2.gz PQNNGLZHDJGFFD-CMPLNLGQSA-N 2 1 297.359 -1.022 20 0 CAADMP CN(C)C(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001401574956 889163527 /nfs/dbraw/zinc/16/35/27/889163527.db2.gz FCBVZDSIZNFPPH-WDEREUQCSA-N 2 1 286.376 -1.907 20 0 CAADMP C[N@@H+]1CC[C@H](C(=O)NC[C@H](O)C[NH2+]Cc2ncccn2)C1 ZINC001401575050 889163781 /nfs/dbraw/zinc/16/37/81/889163781.db2.gz FHJQQYGBLVCXLE-NWDGAFQWSA-N 2 1 293.371 -1.005 20 0 CAADMP C[N@H+]1CC[C@H](C(=O)NC[C@H](O)C[NH2+]Cc2ncccn2)C1 ZINC001401575050 889163790 /nfs/dbraw/zinc/16/37/90/889163790.db2.gz FHJQQYGBLVCXLE-NWDGAFQWSA-N 2 1 293.371 -1.005 20 0 CAADMP C[N@@H+]1CC[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc2ncccn2)C1 ZINC001401575056 889164286 /nfs/dbraw/zinc/16/42/86/889164286.db2.gz FHJQQYGBLVCXLE-RYUDHWBXSA-N 2 1 293.371 -1.005 20 0 CAADMP C[N@H+]1CC[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc2ncccn2)C1 ZINC001401575056 889164292 /nfs/dbraw/zinc/16/42/92/889164292.db2.gz FHJQQYGBLVCXLE-RYUDHWBXSA-N 2 1 293.371 -1.005 20 0 CAADMP C[N@@H+]1CC[C@H](CC(=O)NC[C@@H](O)C[NH2+]Cc2cnon2)C1 ZINC001401585556 889165287 /nfs/dbraw/zinc/16/52/87/889165287.db2.gz PQNNGLZHDJGFFD-PWSUYJOCSA-N 2 1 297.359 -1.022 20 0 CAADMP C[N@H+]1CC[C@H](CC(=O)NC[C@@H](O)C[NH2+]Cc2cnon2)C1 ZINC001401585556 889165292 /nfs/dbraw/zinc/16/52/92/889165292.db2.gz PQNNGLZHDJGFFD-PWSUYJOCSA-N 2 1 297.359 -1.022 20 0 CAADMP CN(C)C(=O)C[NH2+]C[C@H](O)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001401574949 889165408 /nfs/dbraw/zinc/16/54/08/889165408.db2.gz FCBVZDSIZNFPPH-QWRGUYRKSA-N 2 1 286.376 -1.907 20 0 CAADMP C[N@@H+]1CC[C@@H](C(=O)NC[C@@H](O)C[NH2+]Cc2ncccn2)C1 ZINC001401575042 889165463 /nfs/dbraw/zinc/16/54/63/889165463.db2.gz FHJQQYGBLVCXLE-NEPJUHHUSA-N 2 1 293.371 -1.005 20 0 CAADMP C[N@H+]1CC[C@@H](C(=O)NC[C@@H](O)C[NH2+]Cc2ncccn2)C1 ZINC001401575042 889165473 /nfs/dbraw/zinc/16/54/73/889165473.db2.gz FHJQQYGBLVCXLE-NEPJUHHUSA-N 2 1 293.371 -1.005 20 0 CAADMP CNC(=O)NC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001401620348 889170566 /nfs/dbraw/zinc/17/05/66/889170566.db2.gz KIZLTGGKHPZHSX-ZJUUUORDSA-N 2 1 299.375 -1.370 20 0 CAADMP C[C@H](C[NH2+]CC(=O)NC(N)=O)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001401652659 889174106 /nfs/dbraw/zinc/17/41/06/889174106.db2.gz NQYZNKOTLWIIGP-NXEZZACHSA-N 2 1 299.375 -1.383 20 0 CAADMP CC(C)[N@@H+](C)CC(=O)N[C@H](C)C[NH2+]CC(=O)NC(N)=O ZINC001401676942 889175667 /nfs/dbraw/zinc/17/56/67/889175667.db2.gz YRCQABVYCJRQMM-SECBINFHSA-N 2 1 287.364 -1.384 20 0 CAADMP C[C@@H](C[NH2+]Cc1nnnn1C)NC(=O)C[NH+]1CCCC1 ZINC001401724616 889179210 /nfs/dbraw/zinc/17/92/10/889179210.db2.gz ZTRDWXSWYXIOCU-JTQLQIEISA-N 2 1 281.364 -1.100 20 0 CAADMP C[NH+]1CCC(C(=O)NC[C@@]2(O)CC[N@H+](CC(N)=O)C2)CC1 ZINC001402274230 889215302 /nfs/dbraw/zinc/21/53/02/889215302.db2.gz WNEQTIPDBUKFQQ-AWEZNQCLSA-N 2 1 298.387 -1.634 20 0 CAADMP C[NH+]1CCC(C(=O)NC[C@@]2(O)CC[N@@H+](CC(N)=O)C2)CC1 ZINC001402274230 889215311 /nfs/dbraw/zinc/21/53/11/889215311.db2.gz WNEQTIPDBUKFQQ-AWEZNQCLSA-N 2 1 298.387 -1.634 20 0 CAADMP C[NH+]1CCC(C(=O)NC[C@]2(O)CC[N@H+](CC(N)=O)C2)CC1 ZINC001402274233 889216867 /nfs/dbraw/zinc/21/68/67/889216867.db2.gz WNEQTIPDBUKFQQ-CQSZACIVSA-N 2 1 298.387 -1.634 20 0 CAADMP C[NH+]1CCC(C(=O)NC[C@]2(O)CC[N@@H+](CC(N)=O)C2)CC1 ZINC001402274233 889216879 /nfs/dbraw/zinc/21/68/79/889216879.db2.gz WNEQTIPDBUKFQQ-CQSZACIVSA-N 2 1 298.387 -1.634 20 0 CAADMP CCN1CC(O)(CNC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001402393811 889235737 /nfs/dbraw/zinc/23/57/37/889235737.db2.gz URFYHQYAVKHYDE-LLVKDONJSA-N 2 1 271.361 -1.110 20 0 CAADMP CC(C)[N@@H+](C)CC(=O)N[C@H]1C[C@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001402545214 889248795 /nfs/dbraw/zinc/24/87/95/889248795.db2.gz ATCAFHCZSQGWSS-MGCOHNPYSA-N 2 1 299.375 -1.242 20 0 CAADMP C[N@H+]1CCC[C@H]1C(=O)N1CCC[C@](CO)([NH2+]CC(N)=O)C1 ZINC001402727062 889257319 /nfs/dbraw/zinc/25/73/19/889257319.db2.gz QZEPPANVFWXINL-FZMZJTMJSA-N 2 1 298.387 -1.491 20 0 CAADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@](CO)([NH2+]CC(N)=O)C1 ZINC001402727064 889258798 /nfs/dbraw/zinc/25/87/98/889258798.db2.gz QZEPPANVFWXINL-RISCZKNCSA-N 2 1 298.387 -1.491 20 0 CAADMP CNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001403356097 889299257 /nfs/dbraw/zinc/29/92/57/889299257.db2.gz SXLXPZSFGALSDA-RYUDHWBXSA-N 2 1 298.387 -1.499 20 0 CAADMP CNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001403356097 889299270 /nfs/dbraw/zinc/29/92/70/889299270.db2.gz SXLXPZSFGALSDA-RYUDHWBXSA-N 2 1 298.387 -1.499 20 0 CAADMP CNC(=O)C[NH2+]C[C@H]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001403356100 889299918 /nfs/dbraw/zinc/29/99/18/889299918.db2.gz SXLXPZSFGALSDA-VXGBXAGGSA-N 2 1 298.387 -1.499 20 0 CAADMP CNC(=O)C[NH2+]C[C@H]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001403356100 889299935 /nfs/dbraw/zinc/29/99/35/889299935.db2.gz SXLXPZSFGALSDA-VXGBXAGGSA-N 2 1 298.387 -1.499 20 0 CAADMP CNC(=O)C[NH2+]C[C@H]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001403356093 889300181 /nfs/dbraw/zinc/30/01/81/889300181.db2.gz SXLXPZSFGALSDA-NEPJUHHUSA-N 2 1 298.387 -1.499 20 0 CAADMP CNC(=O)C[NH2+]C[C@H]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001403356093 889300201 /nfs/dbraw/zinc/30/02/01/889300201.db2.gz SXLXPZSFGALSDA-NEPJUHHUSA-N 2 1 298.387 -1.499 20 0 CAADMP COC[C@H](O)C[N@H+](C)CCNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001403529844 889308917 /nfs/dbraw/zinc/30/89/17/889308917.db2.gz IFFDNJIHRBIYOB-VXGBXAGGSA-N 2 1 289.376 -1.628 20 0 CAADMP COC[C@H](O)C[N@@H+](C)CCNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001403529844 889308921 /nfs/dbraw/zinc/30/89/21/889308921.db2.gz IFFDNJIHRBIYOB-VXGBXAGGSA-N 2 1 289.376 -1.628 20 0 CAADMP COC[C@H](O)C[NH+](C)CCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001403529844 889308927 /nfs/dbraw/zinc/30/89/27/889308927.db2.gz IFFDNJIHRBIYOB-VXGBXAGGSA-N 2 1 289.376 -1.628 20 0 CAADMP COC[C@H](O)C[NH+](C)CCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001403529844 889308932 /nfs/dbraw/zinc/30/89/32/889308932.db2.gz IFFDNJIHRBIYOB-VXGBXAGGSA-N 2 1 289.376 -1.628 20 0 CAADMP NC(=O)C[NH2+][C@@H](CO)CNC(=O)C12CCC[NH+]1CCC2 ZINC001403675194 889343427 /nfs/dbraw/zinc/34/34/27/889343427.db2.gz PFMKIZSCYZAXIC-SNVBAGLBSA-N 2 1 284.360 -1.833 20 0 CAADMP Cc1c[nH+]cn1CC(=O)NC[C@@H](CO)[NH2+][C@@H](C)C(N)=O ZINC001403686595 889346862 /nfs/dbraw/zinc/34/68/62/889346862.db2.gz OULJLNQRYGMUSX-UWVGGRQHSA-N 2 1 283.332 -1.868 20 0 CAADMP Cc1c[nH+]cn1CC(=O)NC[C@H](CO)[NH2+][C@H]1CCNC1=O ZINC001403685801 889348734 /nfs/dbraw/zinc/34/87/34/889348734.db2.gz MSFFLNNVIGZJKR-MNOVXSKESA-N 2 1 295.343 -1.853 20 0 CAADMP Cc1c[nH+]cn1CC(=O)NC[C@@H](CO)[NH2+][C@H](C)C(N)=O ZINC001403686602 889348847 /nfs/dbraw/zinc/34/88/47/889348847.db2.gz OULJLNQRYGMUSX-ZJUUUORDSA-N 2 1 283.332 -1.868 20 0 CAADMP Cc1c[nH+]cn1CC(=O)NC[C@H](CO)[NH2+][C@@H]1CCNC1=O ZINC001403685296 889349811 /nfs/dbraw/zinc/34/98/11/889349811.db2.gz MSFFLNNVIGZJKR-GHMZBOCLSA-N 2 1 295.343 -1.853 20 0 CAADMP Cn1cncc1C[NH2+][C@@H](CO)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001403747037 889365500 /nfs/dbraw/zinc/36/55/00/889365500.db2.gz NQWUYBNZQPMDJR-VXGBXAGGSA-N 2 1 295.387 -1.062 20 0 CAADMP Cn1cncc1C[NH2+][C@H](CO)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001403747004 889366254 /nfs/dbraw/zinc/36/62/54/889366254.db2.gz NQWUYBNZQPMDJR-NEPJUHHUSA-N 2 1 295.387 -1.062 20 0 CAADMP C[C@@H](C(=O)NC(N)=O)[N@H+](C)CCNC(=O)C[NH+]1CCCC1 ZINC001403767581 889366528 /nfs/dbraw/zinc/36/65/28/889366528.db2.gz RLGWRJWBGMSKKO-JTQLQIEISA-N 2 1 299.375 -1.286 20 0 CAADMP C[C@@H](C(=O)NC(N)=O)[N@@H+](C)CCNC(=O)C[NH+]1CCCC1 ZINC001403767581 889366537 /nfs/dbraw/zinc/36/65/37/889366537.db2.gz RLGWRJWBGMSKKO-JTQLQIEISA-N 2 1 299.375 -1.286 20 0 CAADMP Cc1c[nH+]cn1CC(=O)N(C)C[C@@H](O)C[NH2+]CC(N)=O ZINC001403847261 889375579 /nfs/dbraw/zinc/37/55/79/889375579.db2.gz JBZKGKHUPCUKAT-JTQLQIEISA-N 2 1 283.332 -1.914 20 0 CAADMP Cc1c[nH+]cn1CC(=O)N(C)C[C@H](O)C[NH2+]C[C@@H](C)O ZINC001403855456 889378710 /nfs/dbraw/zinc/37/87/10/889378710.db2.gz WNYSHBNCMAQXQQ-VXGBXAGGSA-N 2 1 284.360 -1.019 20 0 CAADMP Cc1c[nH+]cn1CC(=O)N(C)C[C@H](O)C[NH2+]C[C@H](C)O ZINC001403855451 889381008 /nfs/dbraw/zinc/38/10/08/889381008.db2.gz WNYSHBNCMAQXQQ-NWDGAFQWSA-N 2 1 284.360 -1.019 20 0 CAADMP CN(C[C@H](O)C[N@H+](C)CC(N)=O)C(=O)[C@@H]1CCC[NH+]1C ZINC001403898366 889386750 /nfs/dbraw/zinc/38/67/50/889386750.db2.gz QLANZDYUHAOWSZ-MNOVXSKESA-N 2 1 286.376 -1.683 20 0 CAADMP CN(C[C@H](O)C[N@@H+](C)CC(N)=O)C(=O)[C@@H]1CCC[NH+]1C ZINC001403898366 889386762 /nfs/dbraw/zinc/38/67/62/889386762.db2.gz QLANZDYUHAOWSZ-MNOVXSKESA-N 2 1 286.376 -1.683 20 0 CAADMP CN(C[C@@H](O)C[N@H+](C)CC(N)=O)C(=O)[C@@H]1CCC[NH+]1C ZINC001403898370 889387056 /nfs/dbraw/zinc/38/70/56/889387056.db2.gz QLANZDYUHAOWSZ-QWRGUYRKSA-N 2 1 286.376 -1.683 20 0 CAADMP CC[N@H+](CCNC(=O)CC[NH+](C)C)CC(=O)NC(N)=O ZINC001403908028 889388607 /nfs/dbraw/zinc/38/86/07/889388607.db2.gz OIYLKGKRFABZSZ-UHFFFAOYSA-N 2 1 287.364 -1.429 20 0 CAADMP CC[N@@H+](CCNC(=O)CC[NH+](C)C)CC(=O)NC(N)=O ZINC001403908028 889388619 /nfs/dbraw/zinc/38/86/19/889388619.db2.gz OIYLKGKRFABZSZ-UHFFFAOYSA-N 2 1 287.364 -1.429 20 0 CAADMP CC[N@@H+]1CCO[C@H](C(=O)N(C)[C@@H](C)C[NH2+]CC(N)=O)C1 ZINC001405899279 889472413 /nfs/dbraw/zinc/47/24/13/889472413.db2.gz QGZLBSVHVAQFLO-QWRGUYRKSA-N 2 1 286.376 -1.371 20 0 CAADMP CC[N@H+]1CCO[C@H](C(=O)N(C)[C@@H](C)C[NH2+]CC(N)=O)C1 ZINC001405899279 889472419 /nfs/dbraw/zinc/47/24/19/889472419.db2.gz QGZLBSVHVAQFLO-QWRGUYRKSA-N 2 1 286.376 -1.371 20 0 CAADMP CC[C@H]([NH2+]C[C@@H](O)CNC(=O)Cn1c[nH+]cc1C)C(N)=O ZINC001406240797 889495250 /nfs/dbraw/zinc/49/52/50/889495250.db2.gz GXBQYRBSOPGZIO-MNOVXSKESA-N 2 1 297.359 -1.478 20 0 CAADMP CC[C@@H]([NH2+]C[C@H](O)CNC(=O)Cn1c[nH+]cc1C)C(N)=O ZINC001406240837 889496152 /nfs/dbraw/zinc/49/61/52/889496152.db2.gz GXBQYRBSOPGZIO-WDEREUQCSA-N 2 1 297.359 -1.478 20 0 CAADMP CC[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc1cn(C)nn1)[NH+](C)C ZINC001406245300 889496439 /nfs/dbraw/zinc/49/64/39/889496439.db2.gz PJFXEDJIZADIJO-NWDGAFQWSA-N 2 1 298.391 -1.278 20 0 CAADMP C[N@H+]1CCC[C@@H]1CCC(=O)NC[C@H](O)C[NH2+]CC(N)=O ZINC001406253198 889497643 /nfs/dbraw/zinc/49/76/43/889497643.db2.gz XEWHXHOODCZQJF-GHMZBOCLSA-N 2 1 286.376 -1.587 20 0 CAADMP C[C@H]([NH2+]C[C@@H](O)CNC(=O)CC[NH+](C)C)c1nncn1C ZINC001406255229 889498066 /nfs/dbraw/zinc/49/80/66/889498066.db2.gz GISJMISKLMSJEE-WDEREUQCSA-N 2 1 298.391 -1.106 20 0 CAADMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](O)C[NH2+]CC(=O)NC1CC1 ZINC001406259600 889498918 /nfs/dbraw/zinc/49/89/18/889498918.db2.gz UEWAKWVGFJDEGQ-NWDGAFQWSA-N 2 1 298.387 -1.574 20 0 CAADMP Cn1cc(C[NH2+]C[C@H](O)CNC(=O)[C@@H]2CC[N@@H+](C)C2)cn1 ZINC001406275508 889507680 /nfs/dbraw/zinc/50/76/80/889507680.db2.gz CGDVUQVGHCGSCZ-OLZOCXBDSA-N 2 1 295.387 -1.062 20 0 CAADMP CC(C)[N@@H+](C)CC(=O)NC[C@H](O)C[NH2+]CC(=O)N(C)C ZINC001406301185 889509677 /nfs/dbraw/zinc/50/96/77/889509677.db2.gz KTSAWXRAIAJWTD-LLVKDONJSA-N 2 1 288.392 -1.519 20 0 CAADMP C[C@@H]([NH2+]C[C@H](C)NC(=O)[C@H]1CCC[N@H+]1C)C(=O)NC(N)=O ZINC001406517176 889523848 /nfs/dbraw/zinc/52/38/48/889523848.db2.gz NGGQUHRFQILHOZ-IVZWLZJFSA-N 2 1 299.375 -1.242 20 0 CAADMP C[C@@H](C[NH2+][C@@H](C)C(=O)NC(N)=O)NC(=O)[C@H]1CCC[N@H+]1C ZINC001406517190 889525473 /nfs/dbraw/zinc/52/54/73/889525473.db2.gz NGGQUHRFQILHOZ-LPEHRKFASA-N 2 1 299.375 -1.242 20 0 CAADMP C[C@H]([NH2+]C1(CNC(=O)[C@H]2C[N@H+](C)CCO2)CC1)C(N)=O ZINC001406914422 889544853 /nfs/dbraw/zinc/54/48/53/889544853.db2.gz VQEQETKPCRWFQH-VHSXEESVSA-N 2 1 284.360 -1.571 20 0 CAADMP C[C@H]([NH2+]C1(CNC(=O)[C@H]2C[N@@H+](C)CCO2)CC1)C(N)=O ZINC001406914422 889544862 /nfs/dbraw/zinc/54/48/62/889544862.db2.gz VQEQETKPCRWFQH-VHSXEESVSA-N 2 1 284.360 -1.571 20 0 CAADMP C[C@@H](O)C[NH2+]C1(CNC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001406912781 889546881 /nfs/dbraw/zinc/54/68/81/889546881.db2.gz SSSUMBZXKNYMRT-MNOVXSKESA-N 2 1 271.361 -1.064 20 0 CAADMP C[C@@H](O)C[NH2+]C1(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001406912781 889546896 /nfs/dbraw/zinc/54/68/96/889546896.db2.gz SSSUMBZXKNYMRT-MNOVXSKESA-N 2 1 271.361 -1.064 20 0 CAADMP C[C@@H](O)C[NH2+]C1(CNC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001406912768 889547099 /nfs/dbraw/zinc/54/70/99/889547099.db2.gz SSSUMBZXKNYMRT-GHMZBOCLSA-N 2 1 271.361 -1.064 20 0 CAADMP C[C@@H](O)C[NH2+]C1(CNC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001406912768 889547109 /nfs/dbraw/zinc/54/71/09/889547109.db2.gz SSSUMBZXKNYMRT-GHMZBOCLSA-N 2 1 271.361 -1.064 20 0 CAADMP O=C(NC[C@@]1(O)CC[N@H+](CCO)C1)C12CC[NH+](CC1)C2 ZINC001407373842 889567236 /nfs/dbraw/zinc/56/72/36/889567236.db2.gz QCDJAQQNIHYXCY-AWEZNQCLSA-N 2 1 283.372 -1.373 20 0 CAADMP C[N@@H+]1CC[C@H](C(=O)NC[C@]2(O)CC[NH+](CC(N)=O)C2)C1 ZINC001407393286 889568924 /nfs/dbraw/zinc/56/89/24/889568924.db2.gz ZSVPZMKEFLCUFY-GXFFZTMASA-N 2 1 284.360 -2.024 20 0 CAADMP C[N@H+]1CC[C@H](C(=O)NC[C@]2(O)CC[NH+](CC(N)=O)C2)C1 ZINC001407393286 889568939 /nfs/dbraw/zinc/56/89/39/889568939.db2.gz ZSVPZMKEFLCUFY-GXFFZTMASA-N 2 1 284.360 -2.024 20 0 CAADMP C[NH+]1CC[C@H](C(=O)NC[C@]2(O)CC[N@H+](CC(N)=O)C2)C1 ZINC001407393286 889568950 /nfs/dbraw/zinc/56/89/50/889568950.db2.gz ZSVPZMKEFLCUFY-GXFFZTMASA-N 2 1 284.360 -2.024 20 0 CAADMP C[NH+]1CC[C@H](C(=O)NC[C@]2(O)CC[N@@H+](CC(N)=O)C2)C1 ZINC001407393286 889568961 /nfs/dbraw/zinc/56/89/61/889568961.db2.gz ZSVPZMKEFLCUFY-GXFFZTMASA-N 2 1 284.360 -2.024 20 0 CAADMP C[N@@H+]1CC[C@H](C(=O)NC[C@@]2(O)CC[NH+](CC(N)=O)C2)C1 ZINC001407393178 889569428 /nfs/dbraw/zinc/56/94/28/889569428.db2.gz ZSVPZMKEFLCUFY-GWCFXTLKSA-N 2 1 284.360 -2.024 20 0 CAADMP C[N@H+]1CC[C@H](C(=O)NC[C@@]2(O)CC[NH+](CC(N)=O)C2)C1 ZINC001407393178 889569441 /nfs/dbraw/zinc/56/94/41/889569441.db2.gz ZSVPZMKEFLCUFY-GWCFXTLKSA-N 2 1 284.360 -2.024 20 0 CAADMP C[NH+]1CC[C@H](C(=O)NC[C@@]2(O)CC[N@H+](CC(N)=O)C2)C1 ZINC001407393178 889569447 /nfs/dbraw/zinc/56/94/47/889569447.db2.gz ZSVPZMKEFLCUFY-GWCFXTLKSA-N 2 1 284.360 -2.024 20 0 CAADMP C[NH+]1CC[C@H](C(=O)NC[C@@]2(O)CC[N@@H+](CC(N)=O)C2)C1 ZINC001407393178 889569453 /nfs/dbraw/zinc/56/94/53/889569453.db2.gz ZSVPZMKEFLCUFY-GWCFXTLKSA-N 2 1 284.360 -2.024 20 0 CAADMP CNC(=O)C[NH2+]C1(CNC(=O)[C@@H]2C[N@H+](C)CCO2)CCC1 ZINC001407783842 889592078 /nfs/dbraw/zinc/59/20/78/889592078.db2.gz RJNAXBZFSLUHRS-NSHDSACASA-N 2 1 298.387 -1.309 20 0 CAADMP CNC(=O)C[NH2+]C1(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)CCC1 ZINC001407783842 889592082 /nfs/dbraw/zinc/59/20/82/889592082.db2.gz RJNAXBZFSLUHRS-NSHDSACASA-N 2 1 298.387 -1.309 20 0 CAADMP C[NH+](C)CCC(=O)N1CC(NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001409040206 889623776 /nfs/dbraw/zinc/62/37/76/889623776.db2.gz ASAZRVYNLUGINO-GFCCVEGCSA-N 2 1 298.387 -1.404 20 0 CAADMP C[NH+](C)CCC(=O)N1CC(NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001409040206 889623788 /nfs/dbraw/zinc/62/37/88/889623788.db2.gz ASAZRVYNLUGINO-GFCCVEGCSA-N 2 1 298.387 -1.404 20 0 CAADMP C[C@H](CNC(=O)C[NH+]1CCCC1)[N@H+](C)CC(=O)NC(N)=O ZINC001409674989 889642515 /nfs/dbraw/zinc/64/25/15/889642515.db2.gz HCTDTMPREMUQAS-SNVBAGLBSA-N 2 1 299.375 -1.286 20 0 CAADMP C[C@H](CNC(=O)C[NH+]1CCCC1)[N@@H+](C)CC(=O)NC(N)=O ZINC001409674989 889642526 /nfs/dbraw/zinc/64/25/26/889642526.db2.gz HCTDTMPREMUQAS-SNVBAGLBSA-N 2 1 299.375 -1.286 20 0 CAADMP C[C@@H](O)C[NH2+][C@H](CO)CNC(=O)C[N@@H+](C)C1CCC1 ZINC001410646807 889694480 /nfs/dbraw/zinc/69/44/80/889694480.db2.gz DEHFTWRPICUBSO-MNOVXSKESA-N 2 1 273.377 -1.082 20 0 CAADMP Cc1[nH+]cc2n1CC[C@H](C(=O)NC[C@H](CO)[NH2+]CCO)C2 ZINC001410716798 889707417 /nfs/dbraw/zinc/70/74/17/889707417.db2.gz CMLCMYQDTFSACN-NWDGAFQWSA-N 2 1 296.371 -1.187 20 0 CAADMP CCNC(=O)C[NH2+][C@H](CO)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001410780325 889712959 /nfs/dbraw/zinc/71/29/59/889712959.db2.gz DXXFTNGCQPGMJY-QWRGUYRKSA-N 2 1 286.376 -1.859 20 0 CAADMP CNC(=O)C[NH2+][C@@H](CO)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001410783305 889713909 /nfs/dbraw/zinc/71/39/09/889713909.db2.gz ICBZCGVTEFXRAG-NXEZZACHSA-N 2 1 272.349 -2.249 20 0 CAADMP CC[N@@H+](C)CCC(=O)NC[C@@H](CO)[NH2+][C@H]1CCNC1=O ZINC001410768198 889713950 /nfs/dbraw/zinc/71/39/50/889713950.db2.gz HUTSLCHOFIQSQQ-QWRGUYRKSA-N 2 1 286.376 -1.717 20 0 CAADMP CNC(=O)C[NH2+][C@@H](CO)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001410783318 889714918 /nfs/dbraw/zinc/71/49/18/889714918.db2.gz ICBZCGVTEFXRAG-VHSXEESVSA-N 2 1 272.349 -2.249 20 0 CAADMP Cn1ccnc1C[NH2+][C@@H](CO)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001410782238 889715673 /nfs/dbraw/zinc/71/56/73/889715673.db2.gz HMERHHXUEKXOBK-NWDGAFQWSA-N 2 1 295.387 -1.062 20 0 CAADMP Cn1ccnc1C[NH2+][C@@H](CO)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001410782238 889715679 /nfs/dbraw/zinc/71/56/79/889715679.db2.gz HMERHHXUEKXOBK-NWDGAFQWSA-N 2 1 295.387 -1.062 20 0 CAADMP Cc1[nH+]ccn1CC(=O)N(C)C[C@H](O)C[NH2+][C@@H](C)C(N)=O ZINC001411121509 889734480 /nfs/dbraw/zinc/73/44/80/889734480.db2.gz DMSINTSCVAMLPH-GXSJLCMTSA-N 2 1 297.359 -1.526 20 0 CAADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)Cn1nnc(N)n1 ZINC001412328823 889812629 /nfs/dbraw/zinc/81/26/29/889812629.db2.gz IJVGPOREIAXRMU-JTQLQIEISA-N 2 1 298.395 -1.357 20 0 CAADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)Cn1nnc(N)n1 ZINC001412328823 889812642 /nfs/dbraw/zinc/81/26/42/889812642.db2.gz IJVGPOREIAXRMU-JTQLQIEISA-N 2 1 298.395 -1.357 20 0 CAADMP O=C(CC[N@@H+]1CC[C@@H](F)C1)NC[C@]1(CO)COCC[NH2+]1 ZINC001412465709 889835781 /nfs/dbraw/zinc/83/57/81/889835781.db2.gz NFMWNOQQHUQUSR-YPMHNXCESA-N 2 1 289.351 -1.113 20 0 CAADMP O=C(CC[N@H+]1CC[C@@H](F)C1)NC[C@]1(CO)COCC[NH2+]1 ZINC001412465709 889835793 /nfs/dbraw/zinc/83/57/93/889835793.db2.gz NFMWNOQQHUQUSR-YPMHNXCESA-N 2 1 289.351 -1.113 20 0 CAADMP O=C(CC[N@@H+]1CC[C@@H](F)C1)NC[C@@]1(CO)COCC[NH2+]1 ZINC001412465683 889836170 /nfs/dbraw/zinc/83/61/70/889836170.db2.gz NFMWNOQQHUQUSR-DGCLKSJQSA-N 2 1 289.351 -1.113 20 0 CAADMP O=C(CC[N@H+]1CC[C@@H](F)C1)NC[C@@]1(CO)COCC[NH2+]1 ZINC001412465683 889836178 /nfs/dbraw/zinc/83/61/78/889836178.db2.gz NFMWNOQQHUQUSR-DGCLKSJQSA-N 2 1 289.351 -1.113 20 0 CAADMP O=C(CC[N@@H+]1CC[C@H](F)C1)NC[C@]1(CO)COCC[NH2+]1 ZINC001412465675 889836547 /nfs/dbraw/zinc/83/65/47/889836547.db2.gz NFMWNOQQHUQUSR-AAEUAGOBSA-N 2 1 289.351 -1.113 20 0 CAADMP O=C(CC[N@H+]1CC[C@H](F)C1)NC[C@]1(CO)COCC[NH2+]1 ZINC001412465675 889836560 /nfs/dbraw/zinc/83/65/60/889836560.db2.gz NFMWNOQQHUQUSR-AAEUAGOBSA-N 2 1 289.351 -1.113 20 0 CAADMP C[N@H+]1CC[C@@H](C(=O)NCCN2CC[NH+](CCO)CC2)C1 ZINC001417928997 890179261 /nfs/dbraw/zinc/17/92/61/890179261.db2.gz OCOQTVLOJIFCQT-CYBMUJFWSA-N 2 1 284.404 -1.336 20 0 CAADMP C[N@@H+]1CCO[C@H](C(=O)NC[C@@H]([NH2+]CC(N)=O)C2CC2)C1 ZINC001417970514 890181287 /nfs/dbraw/zinc/18/12/87/890181287.db2.gz FNBZVMKNHJCRGQ-MNOVXSKESA-N 2 1 284.360 -1.713 20 0 CAADMP C[N@H+]1CCO[C@H](C(=O)NC[C@@H]([NH2+]CC(N)=O)C2CC2)C1 ZINC001417970514 890181294 /nfs/dbraw/zinc/18/12/94/890181294.db2.gz FNBZVMKNHJCRGQ-MNOVXSKESA-N 2 1 284.360 -1.713 20 0 CAADMP C[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]([NH2+]CC(N)=O)C2CC2)C1 ZINC001417970510 890181644 /nfs/dbraw/zinc/18/16/44/890181644.db2.gz FNBZVMKNHJCRGQ-GHMZBOCLSA-N 2 1 284.360 -1.713 20 0 CAADMP C[N@H+]1CCO[C@@H](C(=O)NC[C@@H]([NH2+]CC(N)=O)C2CC2)C1 ZINC001417970510 890181651 /nfs/dbraw/zinc/18/16/51/890181651.db2.gz FNBZVMKNHJCRGQ-GHMZBOCLSA-N 2 1 284.360 -1.713 20 0 CAADMP C[C@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)[NH2+]CC(=O)N1CCC1 ZINC001418206254 890195396 /nfs/dbraw/zinc/19/53/96/890195396.db2.gz FSTLNZCPRRXGSQ-NEPJUHHUSA-N 2 1 298.387 -1.356 20 0 CAADMP C[C@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)[NH2+]CC(=O)N1CCC1 ZINC001418206254 890195404 /nfs/dbraw/zinc/19/54/04/890195404.db2.gz FSTLNZCPRRXGSQ-NEPJUHHUSA-N 2 1 298.387 -1.356 20 0 CAADMP C[C@@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)[NH2+]CC(=O)N1CCC1 ZINC001418206256 890196321 /nfs/dbraw/zinc/19/63/21/890196321.db2.gz FSTLNZCPRRXGSQ-NWDGAFQWSA-N 2 1 298.387 -1.356 20 0 CAADMP C[C@@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)[NH2+]CC(=O)N1CCC1 ZINC001418206256 890196325 /nfs/dbraw/zinc/19/63/25/890196325.db2.gz FSTLNZCPRRXGSQ-NWDGAFQWSA-N 2 1 298.387 -1.356 20 0 CAADMP C[C@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)[NH2+]CC(=O)N1CCC1 ZINC001418206259 890196925 /nfs/dbraw/zinc/19/69/25/890196925.db2.gz FSTLNZCPRRXGSQ-VXGBXAGGSA-N 2 1 298.387 -1.356 20 0 CAADMP C[C@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)[NH2+]CC(=O)N1CCC1 ZINC001418206259 890196931 /nfs/dbraw/zinc/19/69/31/890196931.db2.gz FSTLNZCPRRXGSQ-VXGBXAGGSA-N 2 1 298.387 -1.356 20 0 CAADMP C[C@@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)[NH2+]CCn1cncn1 ZINC001418209105 890197042 /nfs/dbraw/zinc/19/70/42/890197042.db2.gz MAJSKKZRDDXDAK-NWDGAFQWSA-N 2 1 296.375 -1.297 20 0 CAADMP C[C@@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)[NH2+]CCn1cncn1 ZINC001418209105 890197045 /nfs/dbraw/zinc/19/70/45/890197045.db2.gz MAJSKKZRDDXDAK-NWDGAFQWSA-N 2 1 296.375 -1.297 20 0 CAADMP C[C@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)[NH2+]CCn1cncn1 ZINC001418209103 890197067 /nfs/dbraw/zinc/19/70/67/890197067.db2.gz MAJSKKZRDDXDAK-NEPJUHHUSA-N 2 1 296.375 -1.297 20 0 CAADMP C[C@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)[NH2+]CCn1cncn1 ZINC001418209103 890197070 /nfs/dbraw/zinc/19/70/70/890197070.db2.gz MAJSKKZRDDXDAK-NEPJUHHUSA-N 2 1 296.375 -1.297 20 0 CAADMP C[C@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)[NH2+]CCn1cncn1 ZINC001418209108 890197623 /nfs/dbraw/zinc/19/76/23/890197623.db2.gz MAJSKKZRDDXDAK-VXGBXAGGSA-N 2 1 296.375 -1.297 20 0 CAADMP C[C@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)[NH2+]CCn1cncn1 ZINC001418209108 890197630 /nfs/dbraw/zinc/19/76/30/890197630.db2.gz MAJSKKZRDDXDAK-VXGBXAGGSA-N 2 1 296.375 -1.297 20 0 CAADMP C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)[NH2+]CC(=O)NC(N)=O ZINC001418320659 890206659 /nfs/dbraw/zinc/20/66/59/890206659.db2.gz VJVOPVLUMFDYNY-RKDXNWHRSA-N 2 1 285.348 -1.773 20 0 CAADMP C[N@@H+]1CCO[C@@H](C(=O)N2CC[C@@H](C[NH2+]CC(N)=O)C2)C1 ZINC001418335950 890211321 /nfs/dbraw/zinc/21/13/21/890211321.db2.gz NQSPGSKRUIKXEN-WDEREUQCSA-N 2 1 284.360 -1.760 20 0 CAADMP C[N@H+]1CCO[C@@H](C(=O)N2CC[C@@H](C[NH2+]CC(N)=O)C2)C1 ZINC001418335950 890211336 /nfs/dbraw/zinc/21/13/36/890211336.db2.gz NQSPGSKRUIKXEN-WDEREUQCSA-N 2 1 284.360 -1.760 20 0 CAADMP C[N@@H+]1CCO[C@@H](C(=O)N2CC[C@H](C[NH2+]CC(N)=O)C2)C1 ZINC001418335941 890213005 /nfs/dbraw/zinc/21/30/05/890213005.db2.gz NQSPGSKRUIKXEN-GHMZBOCLSA-N 2 1 284.360 -1.760 20 0 CAADMP C[N@H+]1CCO[C@@H](C(=O)N2CC[C@H](C[NH2+]CC(N)=O)C2)C1 ZINC001418335941 890213021 /nfs/dbraw/zinc/21/30/21/890213021.db2.gz NQSPGSKRUIKXEN-GHMZBOCLSA-N 2 1 284.360 -1.760 20 0 CAADMP C[N@@H+]1CCO[C@H](C(=O)N2CC[C@@H](C[NH2+]CC(N)=O)C2)C1 ZINC001418335947 890213304 /nfs/dbraw/zinc/21/33/04/890213304.db2.gz NQSPGSKRUIKXEN-QWRGUYRKSA-N 2 1 284.360 -1.760 20 0 CAADMP C[N@H+]1CCO[C@H](C(=O)N2CC[C@@H](C[NH2+]CC(N)=O)C2)C1 ZINC001418335947 890213323 /nfs/dbraw/zinc/21/33/23/890213323.db2.gz NQSPGSKRUIKXEN-QWRGUYRKSA-N 2 1 284.360 -1.760 20 0 CAADMP C[C@H]([NH2+]CCN(C)C(=O)[C@H]1CCC[N@H+]1C)C(=O)NC(N)=O ZINC001418818543 890265952 /nfs/dbraw/zinc/26/59/52/890265952.db2.gz VHPSNZULCPDVSV-VHSXEESVSA-N 2 1 299.375 -1.288 20 0 CAADMP C[C@@H]([NH2+]CCN(C)C(=O)[C@H]1CCC[N@H+]1C)C(=O)NC(N)=O ZINC001418818535 890267193 /nfs/dbraw/zinc/26/71/93/890267193.db2.gz VHPSNZULCPDVSV-NXEZZACHSA-N 2 1 299.375 -1.288 20 0 CAADMP C[C@@H]([NH2+]CCN(C)C(=O)[C@@H]1CCC[N@H+]1C)C(=O)NC(N)=O ZINC001418818548 890268195 /nfs/dbraw/zinc/26/81/95/890268195.db2.gz VHPSNZULCPDVSV-ZJUUUORDSA-N 2 1 299.375 -1.288 20 0 CAADMP C[C@H]1CC[N@H+](CC(=O)NC[C@]2(CO)COCC[NH2+]2)C1 ZINC001418953378 890275481 /nfs/dbraw/zinc/27/54/81/890275481.db2.gz QZOAGKCRWUZRQG-AAEUAGOBSA-N 2 1 271.361 -1.205 20 0 CAADMP C[C@H]1CC[N@@H+](CC(=O)NC[C@]2(CO)COCC[NH2+]2)C1 ZINC001418953378 890275494 /nfs/dbraw/zinc/27/54/94/890275494.db2.gz QZOAGKCRWUZRQG-AAEUAGOBSA-N 2 1 271.361 -1.205 20 0 CAADMP CNC(=O)C[NH2+][C@@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)C1CC1 ZINC001419242250 890317098 /nfs/dbraw/zinc/31/70/98/890317098.db2.gz HRBXEDWFEGOONJ-NWDGAFQWSA-N 2 1 298.387 -1.453 20 0 CAADMP CNC(=O)C[NH2+][C@@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)C1CC1 ZINC001419242250 890317113 /nfs/dbraw/zinc/31/71/13/890317113.db2.gz HRBXEDWFEGOONJ-NWDGAFQWSA-N 2 1 298.387 -1.453 20 0 CAADMP C[C@H](CNC(=O)[C@@H]1CCC[N@H+]1C)C[NH2+]CC(=O)NC(N)=O ZINC001419460003 890328097 /nfs/dbraw/zinc/32/80/97/890328097.db2.gz WLAWBVFENKHQJI-UWVGGRQHSA-N 2 1 299.375 -1.383 20 0 CAADMP C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)C[NH2+]CC(=O)NC(N)=O ZINC001419553999 890335575 /nfs/dbraw/zinc/33/55/75/890335575.db2.gz YVBYVUUYCCETOR-VHSXEESVSA-N 2 1 299.375 -1.525 20 0 CAADMP Cn1nnnc1C[NH2+]C[C@@H](O)CNC(=O)CC[NH+](C)C ZINC001420145998 890398419 /nfs/dbraw/zinc/39/84/19/890398419.db2.gz NHYWOXHEEWXIBD-SECBINFHSA-N 2 1 285.352 -2.272 20 0 CAADMP Cn1nnnc1C[NH2+]C[C@H](O)CNC(=O)CC[NH+](C)C ZINC001420146008 890400185 /nfs/dbraw/zinc/40/01/85/890400185.db2.gz NHYWOXHEEWXIBD-VIFPVBQESA-N 2 1 285.352 -2.272 20 0 CAADMP C[C@H](CCNC(=O)[C@H]1CC[N@@H+](C)C1)[NH2+]CC(=O)NC(N)=O ZINC001420163729 890401916 /nfs/dbraw/zinc/40/19/16/890401916.db2.gz QNLAVPZYZCXSRV-ZJUUUORDSA-N 2 1 299.375 -1.383 20 0 CAADMP C[C@H](CCNC(=O)[C@@H]1CC[N@@H+](C)C1)[NH2+]CC(=O)NC(N)=O ZINC001420163725 890403703 /nfs/dbraw/zinc/40/37/03/890403703.db2.gz QNLAVPZYZCXSRV-NXEZZACHSA-N 2 1 299.375 -1.383 20 0 CAADMP C[N@H+]1CC[C@@H](C(=O)NC[C@@H](O)C[NH2+]CC(=O)NC2CC2)C1 ZINC001420195982 890411312 /nfs/dbraw/zinc/41/13/12/890411312.db2.gz ZGKBOFHEWQKFGY-PWSUYJOCSA-N 2 1 298.387 -1.717 20 0 CAADMP CC[N@@H+](C)CCC(=O)NC[C@@H](O)C[NH2+][C@H]1CCNC1=O ZINC001420193047 890412121 /nfs/dbraw/zinc/41/21/21/890412121.db2.gz IFCCHGNFPOAUJH-QWRGUYRKSA-N 2 1 286.376 -1.717 20 0 CAADMP C[N@H+]1CC[C@H](C(=O)NC[C@H](O)C[NH2+]CC(=O)NC2CC2)C1 ZINC001420195980 890412227 /nfs/dbraw/zinc/41/22/27/890412227.db2.gz ZGKBOFHEWQKFGY-CMPLNLGQSA-N 2 1 298.387 -1.717 20 0 CAADMP CC(C)[N@H+](C)CC(=O)NC[C@@H](O)C[NH2+]Cc1ncnn1C ZINC001420213749 890417506 /nfs/dbraw/zinc/41/75/06/890417506.db2.gz MNQIYGGEPXCHHK-NSHDSACASA-N 2 1 298.391 -1.278 20 0 CAADMP CC(C)[N@@H+](C)CC(=O)NC[C@@H](O)C[NH2+]Cc1ncnn1C ZINC001420213749 890417510 /nfs/dbraw/zinc/41/75/10/890417510.db2.gz MNQIYGGEPXCHHK-NSHDSACASA-N 2 1 298.391 -1.278 20 0 CAADMP Cc1[nH+]ccn1CC(=O)NC[C@H](O)C[NH2+]C[C@@H](C)O ZINC001420224571 890417713 /nfs/dbraw/zinc/41/77/13/890417713.db2.gz ZZGVQJKJZUGDLY-MWLCHTKSSA-N 2 1 270.333 -1.361 20 0 CAADMP CC(C)[N@H+](C)CC(=O)NC[C@H](O)C[NH2+]Cc1ncnn1C ZINC001420213744 890418344 /nfs/dbraw/zinc/41/83/44/890418344.db2.gz MNQIYGGEPXCHHK-LLVKDONJSA-N 2 1 298.391 -1.278 20 0 CAADMP CC(C)[N@@H+](C)CC(=O)NC[C@H](O)C[NH2+]Cc1ncnn1C ZINC001420213744 890418352 /nfs/dbraw/zinc/41/83/52/890418352.db2.gz MNQIYGGEPXCHHK-LLVKDONJSA-N 2 1 298.391 -1.278 20 0 CAADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H](C)C[NH2+]CC(=O)NC)C1 ZINC001420511606 890448898 /nfs/dbraw/zinc/44/88/98/890448898.db2.gz FQEXZUDEALKUGY-QWRGUYRKSA-N 2 1 286.376 -1.453 20 0 CAADMP CC[N@H+]1CCO[C@H](C(=O)N[C@@H](C)C[NH2+]CC(=O)NC)C1 ZINC001420511606 890448903 /nfs/dbraw/zinc/44/89/03/890448903.db2.gz FQEXZUDEALKUGY-QWRGUYRKSA-N 2 1 286.376 -1.453 20 0 CAADMP COC[C@@H](O)C[NH+]1CC(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001421184494 890492262 /nfs/dbraw/zinc/49/22/62/890492262.db2.gz COFLHCHGJWJNFD-OLZOCXBDSA-N 2 1 285.388 -1.007 20 0 CAADMP COC[C@H](O)C[NH+]1CC(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001421184500 890492284 /nfs/dbraw/zinc/49/22/84/890492284.db2.gz COFLHCHGJWJNFD-QWHCGFSZSA-N 2 1 285.388 -1.007 20 0 CAADMP C[NH+](C)CCC(=O)NC[C@]1(O)CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001421379712 890504495 /nfs/dbraw/zinc/50/44/95/890504495.db2.gz SVAGWWQLJUOLLQ-SMDDNHRTSA-N 2 1 298.387 -1.620 20 0 CAADMP C[NH+](C)CCC(=O)NC[C@]1(O)CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001421379712 890504511 /nfs/dbraw/zinc/50/45/11/890504511.db2.gz SVAGWWQLJUOLLQ-SMDDNHRTSA-N 2 1 298.387 -1.620 20 0 CAADMP C[NH+](C)CCC(=O)NC[C@@]1(O)CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001421379708 890505480 /nfs/dbraw/zinc/50/54/80/890505480.db2.gz SVAGWWQLJUOLLQ-RISCZKNCSA-N 2 1 298.387 -1.620 20 0 CAADMP C[NH+](C)CCC(=O)NC[C@@]1(O)CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001421379708 890505490 /nfs/dbraw/zinc/50/54/90/890505490.db2.gz SVAGWWQLJUOLLQ-RISCZKNCSA-N 2 1 298.387 -1.620 20 0 CAADMP C[N@H+]1CCC[C@@H]1C(=O)N(CCO)CC[NH2+][C@@H]1CCNC1=O ZINC001421635745 890520590 /nfs/dbraw/zinc/52/05/90/890520590.db2.gz MULTZTVSJWDKSQ-VXGBXAGGSA-N 2 1 298.387 -1.620 20 0 CAADMP C[N@H+]1CCC[C@@H]1C(=O)N(CCO)CC[NH2+][C@H]1CCNC1=O ZINC001421635735 890520901 /nfs/dbraw/zinc/52/09/01/890520901.db2.gz MULTZTVSJWDKSQ-NWDGAFQWSA-N 2 1 298.387 -1.620 20 0 CAADMP CC[N@@H+]1CCO[C@H](C(=O)NC[C@@H](C)C[NH2+]CC(N)=O)C1 ZINC001421763282 890531510 /nfs/dbraw/zinc/53/15/10/890531510.db2.gz DWMYBOWZVFLTJK-QWRGUYRKSA-N 2 1 286.376 -1.466 20 0 CAADMP CC[N@H+]1CCO[C@H](C(=O)NC[C@@H](C)C[NH2+]CC(N)=O)C1 ZINC001421763282 890531515 /nfs/dbraw/zinc/53/15/15/890531515.db2.gz DWMYBOWZVFLTJK-QWRGUYRKSA-N 2 1 286.376 -1.466 20 0 CAADMP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@H](C)C[NH2+]CC(N)=O)C1 ZINC001421763280 890533029 /nfs/dbraw/zinc/53/30/29/890533029.db2.gz DWMYBOWZVFLTJK-GHMZBOCLSA-N 2 1 286.376 -1.466 20 0 CAADMP CC[N@H+]1CCO[C@@H](C(=O)NC[C@H](C)C[NH2+]CC(N)=O)C1 ZINC001421763280 890533037 /nfs/dbraw/zinc/53/30/37/890533037.db2.gz DWMYBOWZVFLTJK-GHMZBOCLSA-N 2 1 286.376 -1.466 20 0 CAADMP C[N@H+]1CCCC[C@@H]1C(=O)N1CCO[C@@H](C[NH2+]CC(N)=O)C1 ZINC001421788107 890533160 /nfs/dbraw/zinc/53/31/60/890533160.db2.gz IEJWELURHQTAQQ-NWDGAFQWSA-N 2 1 298.387 -1.227 20 0 CAADMP CC(C)[N@H+](C)C[C@H](O)C[NH+]1C[C@H](C(N)=O)[C@@H](C(N)=O)C1 ZINC001422050899 890546258 /nfs/dbraw/zinc/54/62/58/890546258.db2.gz PDNULMATRODINJ-DCAQKATOSA-N 2 1 286.376 -1.794 20 0 CAADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1C[C@H](C(N)=O)[C@@H](C(N)=O)C1 ZINC001422050899 890546268 /nfs/dbraw/zinc/54/62/68/890546268.db2.gz PDNULMATRODINJ-DCAQKATOSA-N 2 1 286.376 -1.794 20 0 CAADMP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1C[C@H](C(N)=O)[C@H](C(N)=O)C1 ZINC001422050907 890546728 /nfs/dbraw/zinc/54/67/28/890546728.db2.gz PDNULMATRODINJ-MXWKQRLJSA-N 2 1 286.376 -1.794 20 0 CAADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1C[C@H](C(N)=O)[C@H](C(N)=O)C1 ZINC001422050907 890546733 /nfs/dbraw/zinc/54/67/33/890546733.db2.gz PDNULMATRODINJ-MXWKQRLJSA-N 2 1 286.376 -1.794 20 0 CAADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1C[C@H](C(N)=O)[C@H](C(N)=O)C1 ZINC001422050907 890546736 /nfs/dbraw/zinc/54/67/36/890546736.db2.gz PDNULMATRODINJ-MXWKQRLJSA-N 2 1 286.376 -1.794 20 0 CAADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1C[C@H](C(N)=O)[C@H](C(N)=O)C1 ZINC001422050907 890546740 /nfs/dbraw/zinc/54/67/40/890546740.db2.gz PDNULMATRODINJ-MXWKQRLJSA-N 2 1 286.376 -1.794 20 0 CAADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](O)C[NH2+]CC(N)=O ZINC001422319532 890575589 /nfs/dbraw/zinc/57/55/89/890575589.db2.gz LACYHIBNIFZZPC-WDEREUQCSA-N 2 1 286.376 -1.587 20 0 CAADMP CNC(=O)[C@H](C)[NH2+]C[C@@H](O)CNC(=O)Cn1c[nH+]cc1C ZINC001422334525 890575854 /nfs/dbraw/zinc/57/58/54/890575854.db2.gz SLPYEDSGSPYJLD-WDEREUQCSA-N 2 1 297.359 -1.607 20 0 CAADMP Cn1ncc(C[NH2+]C[C@H](O)CNC(=O)CC[NH+](C)C)n1 ZINC001422351104 890579433 /nfs/dbraw/zinc/57/94/33/890579433.db2.gz VVJVRBRKCKCFFQ-NSHDSACASA-N 2 1 284.364 -1.667 20 0 CAADMP C[N@H+]1CC[C@H](CC(=O)NC[C@H](O)C[NH2+]CC(N)=O)C1 ZINC001422400851 890586614 /nfs/dbraw/zinc/58/66/14/890586614.db2.gz PSZACIDSZALDSO-NXEZZACHSA-N 2 1 272.349 -2.120 20 0 CAADMP Cn1cncc1C[NH2+]C[C@@H](O)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001422399345 890586782 /nfs/dbraw/zinc/58/67/82/890586782.db2.gz AXPPWZMVLYLVCP-WCQYABFASA-N 2 1 295.387 -1.062 20 0 CAADMP Cn1cncc1C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001422399343 890588614 /nfs/dbraw/zinc/58/86/14/890588614.db2.gz AXPPWZMVLYLVCP-DGCLKSJQSA-N 2 1 295.387 -1.062 20 0 CAADMP Cn1cncc1C[NH2+]C[C@H](O)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001422399342 890588749 /nfs/dbraw/zinc/58/87/49/890588749.db2.gz AXPPWZMVLYLVCP-AAEUAGOBSA-N 2 1 295.387 -1.062 20 0 CAADMP Cn1ccc(C[NH2+]C[C@H](O)CNC(=O)[C@@H]2CC[N@@H+](C)C2)n1 ZINC001422403120 890590816 /nfs/dbraw/zinc/59/08/16/890590816.db2.gz LGGVQHQNHDTMPD-YPMHNXCESA-N 2 1 295.387 -1.062 20 0 CAADMP Cn1ccc(C[NH2+]C[C@H](O)CNC(=O)[C@H]2CC[N@@H+](C)C2)n1 ZINC001422403075 890591462 /nfs/dbraw/zinc/59/14/62/890591462.db2.gz LGGVQHQNHDTMPD-AAEUAGOBSA-N 2 1 295.387 -1.062 20 0 CAADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@H](C)C[NH2+]CC(N)=O)C1 ZINC001422597399 890600830 /nfs/dbraw/zinc/60/08/30/890600830.db2.gz IYMVUPDSLGEMOQ-ZJUUUORDSA-N 2 1 272.349 -1.713 20 0 CAADMP CC[N@H+]1CCO[C@H](C(=O)N[C@H](C)C[NH2+]CC(N)=O)C1 ZINC001422597399 890600833 /nfs/dbraw/zinc/60/08/33/890600833.db2.gz IYMVUPDSLGEMOQ-ZJUUUORDSA-N 2 1 272.349 -1.713 20 0 CAADMP C[N@@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H](C[NH2+]CC(N)=O)C2)C1 ZINC001422886277 890616401 /nfs/dbraw/zinc/61/64/01/890616401.db2.gz AXSSGRMPUIVSLV-DCAQKATOSA-N 2 1 284.360 -1.713 20 0 CAADMP C[N@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H](C[NH2+]CC(N)=O)C2)C1 ZINC001422886277 890616412 /nfs/dbraw/zinc/61/64/12/890616412.db2.gz AXSSGRMPUIVSLV-DCAQKATOSA-N 2 1 284.360 -1.713 20 0 CAADMP C[C@H]1C[C@@H](C(=O)NC[C@H](CO)[NH2+]CCO)CC[N@H+]1C ZINC001423253971 890655065 /nfs/dbraw/zinc/65/50/65/890655065.db2.gz DKIVHODBEZXRRL-SDDRHHMPSA-N 2 1 273.377 -1.224 20 0 CAADMP C[C@H]([NH2+]C1(CNC(=O)CC[NH+]2CCOCC2)CC1)C(N)=O ZINC001423288299 890661007 /nfs/dbraw/zinc/66/10/07/890661007.db2.gz OMCJWFIJARMPDC-NSHDSACASA-N 2 1 298.387 -1.179 20 0 CAADMP CC(C)[N@@H+](C)CC(=O)NC[C@H](CO)[NH2+][C@@H]1CCNC1=O ZINC001423306964 890663836 /nfs/dbraw/zinc/66/38/36/890663836.db2.gz YAXUDCIXPOWFCU-GHMZBOCLSA-N 2 1 286.376 -1.718 20 0 CAADMP CC(C)[N@@H+](C)CC(=O)NC[C@@H](CO)[NH2+][C@H]1CCNC1=O ZINC001423306992 890665407 /nfs/dbraw/zinc/66/54/07/890665407.db2.gz YAXUDCIXPOWFCU-QWRGUYRKSA-N 2 1 286.376 -1.718 20 0 CAADMP Cc1c[nH+]cn1CC(=O)N(C)C[C@H](O)C[NH2+][C@H](C)C(N)=O ZINC001423462743 890678259 /nfs/dbraw/zinc/67/82/59/890678259.db2.gz RVVMQPNRKZNLBG-GHMZBOCLSA-N 2 1 297.359 -1.526 20 0 CAADMP C[C@@H](C(N)=O)[N@H+](C)C[C@H](O)CN(C)C(=O)CC[NH+](C)C ZINC001423552288 890686171 /nfs/dbraw/zinc/68/61/71/890686171.db2.gz WDKREOILQPPTCP-QWRGUYRKSA-N 2 1 288.392 -1.437 20 0 CAADMP C[C@@H](C(N)=O)[N@@H+](C)C[C@H](O)CN(C)C(=O)CC[NH+](C)C ZINC001423552288 890686182 /nfs/dbraw/zinc/68/61/82/890686182.db2.gz WDKREOILQPPTCP-QWRGUYRKSA-N 2 1 288.392 -1.437 20 0 CAADMP C[N@H+]1CCC[C@@H]1C(=O)NCC1([NH2+]CC(N)=O)CCOCC1 ZINC001423710620 890688464 /nfs/dbraw/zinc/68/84/64/890688464.db2.gz BKLFDEHGHCNCRJ-LLVKDONJSA-N 2 1 298.387 -1.179 20 0 CAADMP COCC[N@@H+](CCO)CCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001423641054 890688784 /nfs/dbraw/zinc/68/87/84/890688784.db2.gz JLPRDGJGZRQMFR-GFCCVEGCSA-N 2 1 273.377 -1.005 20 0 CAADMP COCC[NH+](CCO)CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001423641054 890688791 /nfs/dbraw/zinc/68/87/91/890688791.db2.gz JLPRDGJGZRQMFR-GFCCVEGCSA-N 2 1 273.377 -1.005 20 0 CAADMP COCC[NH+](CCO)CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001423641054 890688797 /nfs/dbraw/zinc/68/87/97/890688797.db2.gz JLPRDGJGZRQMFR-GFCCVEGCSA-N 2 1 273.377 -1.005 20 0 CAADMP C[N@H+]1CC[C@@H](C(=O)NCC2([NH2+]CC(N)=O)CCOCC2)C1 ZINC001423731741 890688861 /nfs/dbraw/zinc/68/88/61/890688861.db2.gz VVBSSGYLOOWYHU-LLVKDONJSA-N 2 1 298.387 -1.322 20 0 CAADMP COCC[N@@H+](CCO)CCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001423641057 890689528 /nfs/dbraw/zinc/68/95/28/890689528.db2.gz JLPRDGJGZRQMFR-LBPRGKRZSA-N 2 1 273.377 -1.005 20 0 CAADMP COCC[NH+](CCO)CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001423641057 890689532 /nfs/dbraw/zinc/68/95/32/890689532.db2.gz JLPRDGJGZRQMFR-LBPRGKRZSA-N 2 1 273.377 -1.005 20 0 CAADMP COCC[NH+](CCO)CCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001423641057 890689542 /nfs/dbraw/zinc/68/95/42/890689542.db2.gz JLPRDGJGZRQMFR-LBPRGKRZSA-N 2 1 273.377 -1.005 20 0 CAADMP C[N@H+]1CC[C@H](C(=O)NCC2([NH2+]CC(N)=O)CCOCC2)C1 ZINC001423731742 890690634 /nfs/dbraw/zinc/69/06/34/890690634.db2.gz VVBSSGYLOOWYHU-NSHDSACASA-N 2 1 298.387 -1.322 20 0 CAADMP O=C(NC[C@@]1(O)CC[N@H+](CCO)C1)[C@@H]1C[NH+]2CCC1CC2 ZINC001423768416 890692078 /nfs/dbraw/zinc/69/20/78/890692078.db2.gz TYMXWNLUCMLZDF-HIFRSBDPSA-N 2 1 297.399 -1.127 20 0 CAADMP O=C(NC[C@@]1(O)CC[N@H+](CCO)C1)[C@H]1C[NH+]2CCC1CC2 ZINC001423768424 890693079 /nfs/dbraw/zinc/69/30/79/890693079.db2.gz TYMXWNLUCMLZDF-ZFWWWQNUSA-N 2 1 297.399 -1.127 20 0 CAADMP C[C@@H](C(N)=O)[N@H+]1CC[C@@](O)(CNC(=O)CC[NH+](C)C)C1 ZINC001423794916 890696556 /nfs/dbraw/zinc/69/65/56/890696556.db2.gz GWKWMCBLSAEVCC-GXFFZTMASA-N 2 1 286.376 -1.635 20 0 CAADMP C[C@@H](C(N)=O)[N@@H+]1CC[C@@](O)(CNC(=O)CC[NH+](C)C)C1 ZINC001423794916 890696547 /nfs/dbraw/zinc/69/65/47/890696547.db2.gz GWKWMCBLSAEVCC-GXFFZTMASA-N 2 1 286.376 -1.635 20 0 CAADMP C[C@@H]1CC[NH+](CC(=O)NC[C@@]2(O)CC[N@H+](CCO)C2)C1 ZINC001423782632 890699464 /nfs/dbraw/zinc/69/94/64/890699464.db2.gz ASZGZRCNKPLHRE-OCCSQVGLSA-N 2 1 285.388 -1.127 20 0 CAADMP C[C@@H]1CC[N@@H+](CC(=O)NC[C@@]2(O)CC[NH+](CCO)C2)C1 ZINC001423782632 890699453 /nfs/dbraw/zinc/69/94/53/890699453.db2.gz ASZGZRCNKPLHRE-OCCSQVGLSA-N 2 1 285.388 -1.127 20 0 CAADMP C[C@@H]1CC[NH+](CC(=O)NC[C@@]2(O)CC[N@@H+](CCO)C2)C1 ZINC001423782632 890699471 /nfs/dbraw/zinc/69/94/71/890699471.db2.gz ASZGZRCNKPLHRE-OCCSQVGLSA-N 2 1 285.388 -1.127 20 0 CAADMP CC[N@@H+](C)CCC(=O)N1CCO[C@@H](C[NH2+]CC(N)=O)C1 ZINC001424235482 890725812 /nfs/dbraw/zinc/72/58/12/890725812.db2.gz HDNVNSYIJMOZDV-NSHDSACASA-N 2 1 286.376 -1.370 20 0 CAADMP CC[N@@H+](C)CCC(=O)N1CCO[C@H](C[NH2+]CC(N)=O)C1 ZINC001424235480 890726404 /nfs/dbraw/zinc/72/64/04/890726404.db2.gz HDNVNSYIJMOZDV-LLVKDONJSA-N 2 1 286.376 -1.370 20 0 CAADMP C[C@@H]([NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1)C(N)=O ZINC001425397230 890776702 /nfs/dbraw/zinc/77/67/02/890776702.db2.gz UXWFPCSDFTXDND-DDHJBXDOSA-N 2 1 298.387 -1.325 20 0 CAADMP C[C@@H]([NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1)C(N)=O ZINC001425397230 890776719 /nfs/dbraw/zinc/77/67/19/890776719.db2.gz UXWFPCSDFTXDND-DDHJBXDOSA-N 2 1 298.387 -1.325 20 0 CAADMP C[C@@H]([NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1)C(N)=O ZINC001425397239 890777031 /nfs/dbraw/zinc/77/70/31/890777031.db2.gz UXWFPCSDFTXDND-KKOKHZNYSA-N 2 1 298.387 -1.325 20 0 CAADMP C[C@@H]([NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1)C(N)=O ZINC001425397239 890777040 /nfs/dbraw/zinc/77/70/40/890777040.db2.gz UXWFPCSDFTXDND-KKOKHZNYSA-N 2 1 298.387 -1.325 20 0 CAADMP CNC(=O)C[NH2+][C@H](CO)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001425752514 890811293 /nfs/dbraw/zinc/81/12/93/890811293.db2.gz HOYQXWMWEAUHFW-OUAUKWLOSA-N 2 1 286.376 -1.861 20 0 CAADMP CNC(=O)C[NH2+][C@@H](CO)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001425752510 890811594 /nfs/dbraw/zinc/81/15/94/890811594.db2.gz HOYQXWMWEAUHFW-GMTAPVOTSA-N 2 1 286.376 -1.861 20 0 CAADMP C[N@@H+](CC(=O)NC[C@@H](CO)[NH2+]CC(N)=O)C1CCC1 ZINC001425756350 890813833 /nfs/dbraw/zinc/81/38/33/890813833.db2.gz WSOVVJSALLNTLJ-VIFPVBQESA-N 2 1 272.349 -1.977 20 0 CAADMP CNC(=O)[C@@H](C)[NH2+][C@@H](CO)CNC(=O)Cn1c[nH+]cc1C ZINC001425788517 890818015 /nfs/dbraw/zinc/81/80/15/890818015.db2.gz UVZQENCRRVSXAZ-GHMZBOCLSA-N 2 1 297.359 -1.607 20 0 CAADMP COC[C@H](O)C[NH2+][C@H](CO)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001425786048 890819588 /nfs/dbraw/zinc/81/95/88/890819588.db2.gz ARDDIJXTAAHXEI-QJPTWQEYSA-N 2 1 289.376 -1.845 20 0 CAADMP Cc1[nH+]cc2n1C[C@H](C(=O)NC[C@@H](CO)[NH2+]CCO)CC2 ZINC001425805904 890821466 /nfs/dbraw/zinc/82/14/66/890821466.db2.gz ZBCSUFHOMZYBTL-NEPJUHHUSA-N 2 1 296.371 -1.187 20 0 CAADMP CCC[N@@H+](C)CC(=O)NC[C@@H](CO)[NH2+][C@H]1CCNC1=O ZINC001425840078 890827456 /nfs/dbraw/zinc/82/74/56/890827456.db2.gz MBUCMXOKNAOSFR-QWRGUYRKSA-N 2 1 286.376 -1.717 20 0 CAADMP CCC[N@@H+](C)CC(=O)NC[C@@H](CO)[NH2+][C@@H]1CCNC1=O ZINC001425840086 890830033 /nfs/dbraw/zinc/83/00/33/890830033.db2.gz MBUCMXOKNAOSFR-WDEREUQCSA-N 2 1 286.376 -1.717 20 0 CAADMP COCC[N@H+](C)C[C@@H](O)CN1[C@H](CO)CC[C@H]1CO ZINC001434478315 891120002 /nfs/dbraw/zinc/12/00/02/891120002.db2.gz RWEKQPIDERSSKH-RWMBFGLXSA-N 2 1 276.377 -1.257 20 0 CAADMP COCC[N@@H+](C)C[C@@H](O)CN1[C@H](CO)CC[C@H]1CO ZINC001434478315 891120008 /nfs/dbraw/zinc/12/00/08/891120008.db2.gz RWEKQPIDERSSKH-RWMBFGLXSA-N 2 1 276.377 -1.257 20 0 CAADMP CNC(=O)[C@H](C)[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001436944624 891158538 /nfs/dbraw/zinc/15/85/38/891158538.db2.gz MADMQABODUMVAE-NNYUYHANSA-N 2 1 298.387 -1.312 20 0 CAADMP CNC(=O)[C@H](C)[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001436944624 891158543 /nfs/dbraw/zinc/15/85/43/891158543.db2.gz MADMQABODUMVAE-NNYUYHANSA-N 2 1 298.387 -1.312 20 0 CAADMP C[C@@H]([NH2+]CCN(C)C(=O)[C@H]1CC[N@@H+](C)C1)C(=O)NC(N)=O ZINC001437851348 891196408 /nfs/dbraw/zinc/19/64/08/891196408.db2.gz XFVJOCFWRUHHBU-ZJUUUORDSA-N 2 1 299.375 -1.431 20 0 CAADMP C[C@@H]([NH2+]CCN(C)C(=O)[C@@H]1CC[N@@H+](C)C1)C(=O)NC(N)=O ZINC001437851330 891197663 /nfs/dbraw/zinc/19/76/63/891197663.db2.gz XFVJOCFWRUHHBU-NXEZZACHSA-N 2 1 299.375 -1.431 20 0 CAADMP C[C@H]([NH2+]CCN(C)C(=O)[C@@H]1CC[N@@H+](C)C1)C(=O)NC(N)=O ZINC001437851343 891197748 /nfs/dbraw/zinc/19/77/48/891197748.db2.gz XFVJOCFWRUHHBU-VHSXEESVSA-N 2 1 299.375 -1.431 20 0 CAADMP CN(CCN(C)C(=O)CC[NH+]1CCOCC1)CC(N)=O ZINC001438923472 891235913 /nfs/dbraw/zinc/23/59/13/891235913.db2.gz SXZBUVSHHJXCNT-UHFFFAOYSA-N 2 1 286.376 -1.416 20 0 CAADMP C[N@H+]1CCC[C@H]1C(=O)NC[C@@H](O)C[NH2+]CC(=O)NC1CC1 ZINC001438986949 891253052 /nfs/dbraw/zinc/25/30/52/891253052.db2.gz UEWAKWVGFJDEGQ-RYUDHWBXSA-N 2 1 298.387 -1.574 20 0 CAADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@@H](O)C[NH2+]CC(N)=O ZINC001438996516 891258617 /nfs/dbraw/zinc/25/86/17/891258617.db2.gz PNVPDSOQRMEJBK-QWRGUYRKSA-N 2 1 286.376 -1.589 20 0 CAADMP C[C@@H]1[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc2cnon2)CC[N@@H+]1C ZINC001438993219 891260289 /nfs/dbraw/zinc/26/02/89/891260289.db2.gz VKBOZOJLYUPYGD-ADEWGFFLSA-N 2 1 297.359 -1.024 20 0 CAADMP C[C@@H]1[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc2cnon2)CC[N@H+]1C ZINC001438993219 891260301 /nfs/dbraw/zinc/26/03/01/891260301.db2.gz VKBOZOJLYUPYGD-ADEWGFFLSA-N 2 1 297.359 -1.024 20 0 CAADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@H](O)C[NH2+]CC(N)=O ZINC001438996515 891261443 /nfs/dbraw/zinc/26/14/43/891261443.db2.gz PNVPDSOQRMEJBK-MNOVXSKESA-N 2 1 286.376 -1.589 20 0 CAADMP Cn1cnnc1C[NH2+]C[C@@H](O)CNC(=O)CC[NH+](C)C ZINC001439022692 891270611 /nfs/dbraw/zinc/27/06/11/891270611.db2.gz FHPXKSYSIVIYDZ-SNVBAGLBSA-N 2 1 284.364 -1.667 20 0 CAADMP Cn1cc(C[NH2+]C[C@H](O)CNC(=O)CC[NH+](C)C)nn1 ZINC001439028649 891271549 /nfs/dbraw/zinc/27/15/49/891271549.db2.gz VKJVEEGLDIZFSD-NSHDSACASA-N 2 1 284.364 -1.667 20 0 CAADMP CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)Cn1cc[nH+]c1C ZINC001439052349 891277603 /nfs/dbraw/zinc/27/76/03/891277603.db2.gz GRDBKLXNOKDOTH-LLVKDONJSA-N 2 1 297.359 -1.606 20 0 CAADMP CNC(=O)[C@H](C)[NH2+]C[C@@H](O)CNC(=O)Cn1cc[nH+]c1C ZINC001439061816 891277837 /nfs/dbraw/zinc/27/78/37/891277837.db2.gz SLTBIQNXSQKWCB-GXSJLCMTSA-N 2 1 297.359 -1.607 20 0 CAADMP CC(C)[N@H+](C)CC(=O)NC[C@H](O)C[NH2+]Cc1cnn(C)n1 ZINC001439060133 891278001 /nfs/dbraw/zinc/27/80/01/891278001.db2.gz UIWIBBVOAWRJIP-GFCCVEGCSA-N 2 1 298.391 -1.278 20 0 CAADMP CC(C)[N@@H+](C)CC(=O)NC[C@H](O)C[NH2+]Cc1cnn(C)n1 ZINC001439060133 891278014 /nfs/dbraw/zinc/27/80/14/891278014.db2.gz UIWIBBVOAWRJIP-GFCCVEGCSA-N 2 1 298.391 -1.278 20 0 CAADMP CC(C)[N@@H+](C)CC(=O)NC[C@H](O)C[NH2+][C@@H](C)C(N)=O ZINC001439061400 891278633 /nfs/dbraw/zinc/27/86/33/891278633.db2.gz UZPGNIYJMMLCTR-VHSXEESVSA-N 2 1 274.365 -1.733 20 0 CAADMP CC(C)[N@H+](C)CC(=O)NC[C@@H](O)C[NH2+]Cc1cnn(C)n1 ZINC001439060139 891279039 /nfs/dbraw/zinc/27/90/39/891279039.db2.gz UIWIBBVOAWRJIP-LBPRGKRZSA-N 2 1 298.391 -1.278 20 0 CAADMP CC(C)[N@@H+](C)CC(=O)NC[C@@H](O)C[NH2+]Cc1cnn(C)n1 ZINC001439060139 891279053 /nfs/dbraw/zinc/27/90/53/891279053.db2.gz UIWIBBVOAWRJIP-LBPRGKRZSA-N 2 1 298.391 -1.278 20 0 CAADMP CC(C)[N@@H+](C)CC(=O)NC[C@@H](O)C[NH2+][C@H](C)C(N)=O ZINC001439061402 891279671 /nfs/dbraw/zinc/27/96/71/891279671.db2.gz UZPGNIYJMMLCTR-ZJUUUORDSA-N 2 1 274.365 -1.733 20 0 CAADMP CC(C)[N@H+](C)CC(=O)NC[C@@H](O)C[NH2+]Cc1cn(C)nn1 ZINC001439050096 891279918 /nfs/dbraw/zinc/27/99/18/891279918.db2.gz DELNHLRGTCFZKP-LBPRGKRZSA-N 2 1 298.391 -1.278 20 0 CAADMP CC(C)[N@@H+](C)CC(=O)NC[C@@H](O)C[NH2+]Cc1cn(C)nn1 ZINC001439050096 891279934 /nfs/dbraw/zinc/27/99/34/891279934.db2.gz DELNHLRGTCFZKP-LBPRGKRZSA-N 2 1 298.391 -1.278 20 0 CAADMP CCC[N@@H+](C)CC(=O)N[C@H](C)C[NH2+]CC(=O)NC(N)=O ZINC001439177331 891286840 /nfs/dbraw/zinc/28/68/40/891286840.db2.gz XACPDSYBDJLYML-SECBINFHSA-N 2 1 287.364 -1.383 20 0 CAADMP C[NH+](C)C1(C(=O)NC[C@]2(O)CC[N@H+](CC(N)=O)C2)CCC1 ZINC001439986814 891332700 /nfs/dbraw/zinc/33/27/00/891332700.db2.gz FEGZCSCSZQFYHF-CYBMUJFWSA-N 2 1 298.387 -1.491 20 0 CAADMP C[NH+](C)C1(C(=O)NC[C@]2(O)CC[N@@H+](CC(N)=O)C2)CCC1 ZINC001439986814 891332718 /nfs/dbraw/zinc/33/27/18/891332718.db2.gz FEGZCSCSZQFYHF-CYBMUJFWSA-N 2 1 298.387 -1.491 20 0 CAADMP CNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)CC[NH+](C)C)C1 ZINC001440011118 891339228 /nfs/dbraw/zinc/33/92/28/891339228.db2.gz PKQOGHOUCXWZOR-CYBMUJFWSA-N 2 1 286.376 -1.763 20 0 CAADMP CNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)CC[NH+](C)C)C1 ZINC001440011118 891339244 /nfs/dbraw/zinc/33/92/44/891339244.db2.gz PKQOGHOUCXWZOR-CYBMUJFWSA-N 2 1 286.376 -1.763 20 0 CAADMP CC[N@H+](C)CCC(=O)NC[C@@]1(O)CC[NH+](CC(N)=O)C1 ZINC001440013743 891343554 /nfs/dbraw/zinc/34/35/54/891343554.db2.gz LPASULVGUUPKML-ZDUSSCGKSA-N 2 1 286.376 -1.634 20 0 CAADMP CC[N@@H+](C)CCC(=O)NC[C@@]1(O)CC[NH+](CC(N)=O)C1 ZINC001440013743 891343575 /nfs/dbraw/zinc/34/35/75/891343575.db2.gz LPASULVGUUPKML-ZDUSSCGKSA-N 2 1 286.376 -1.634 20 0 CAADMP CC[NH+](C)CCC(=O)NC[C@@]1(O)CC[N@H+](CC(N)=O)C1 ZINC001440013743 891343595 /nfs/dbraw/zinc/34/35/95/891343595.db2.gz LPASULVGUUPKML-ZDUSSCGKSA-N 2 1 286.376 -1.634 20 0 CAADMP CC[NH+](C)CCC(=O)NC[C@@]1(O)CC[N@@H+](CC(N)=O)C1 ZINC001440013743 891343611 /nfs/dbraw/zinc/34/36/11/891343611.db2.gz LPASULVGUUPKML-ZDUSSCGKSA-N 2 1 286.376 -1.634 20 0 CAADMP C[NH+](C)CCC(=O)NC[C@]1(O)CC[N@@H+](CCCO)C1 ZINC001440009424 891343815 /nfs/dbraw/zinc/34/38/15/891343815.db2.gz KZKBTLCSMCKDMT-CYBMUJFWSA-N 2 1 273.377 -1.127 20 0 CAADMP C[N@H+]1CC[C@@H](C(=O)N[C@@]2(CO)CCC[NH+](CCO)C2)C1 ZINC001440186168 891355277 /nfs/dbraw/zinc/35/52/77/891355277.db2.gz BBHNQSQBURLUQG-OCCSQVGLSA-N 2 1 285.388 -1.127 20 0 CAADMP C[NH+]1CC[C@@H](C(=O)N[C@@]2(CO)CCC[N@H+](CCO)C2)C1 ZINC001440186168 891355289 /nfs/dbraw/zinc/35/52/89/891355289.db2.gz BBHNQSQBURLUQG-OCCSQVGLSA-N 2 1 285.388 -1.127 20 0 CAADMP C[NH+]1CC[C@@H](C(=O)N[C@@]2(CO)CCC[N@@H+](CCO)C2)C1 ZINC001440186168 891355301 /nfs/dbraw/zinc/35/53/01/891355301.db2.gz BBHNQSQBURLUQG-OCCSQVGLSA-N 2 1 285.388 -1.127 20 0 CAADMP NC(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)CC[NH+]2CCOCC2)C1 ZINC001440328919 891365211 /nfs/dbraw/zinc/36/52/11/891365211.db2.gz XSHZDOABZIKYBI-TXEJJXNPSA-N 2 1 298.387 -1.322 20 0 CAADMP CNC(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001440275873 891366559 /nfs/dbraw/zinc/36/65/59/891366559.db2.gz NOVLVXHCWCHURX-TUAOUCFPSA-N 2 1 298.387 -1.453 20 0 CAADMP CNC(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001440275873 891366575 /nfs/dbraw/zinc/36/65/75/891366575.db2.gz NOVLVXHCWCHURX-TUAOUCFPSA-N 2 1 298.387 -1.453 20 0 CAADMP C[N@H+]1CC[C@@H](CC(=O)N2CCO[C@H](C[NH2+]CC(N)=O)C2)C1 ZINC001440378731 891371165 /nfs/dbraw/zinc/37/11/65/891371165.db2.gz VAHPJYFJRAPBIW-NWDGAFQWSA-N 2 1 298.387 -1.370 20 0 CAADMP C[N@H+]1CC[C@H](C(=O)N2CCC[C@](CO)([NH2+]CC(N)=O)C2)C1 ZINC001440554588 891374815 /nfs/dbraw/zinc/37/48/15/891374815.db2.gz NEEMZRKFAJMHDR-FZMZJTMJSA-N 2 1 298.387 -1.634 20 0 CAADMP C[C@@H](CN(C)C(=O)[C@H]1CC[N@@H+](C)C1)[NH2+]CC(=O)NC(N)=O ZINC001441661072 891423953 /nfs/dbraw/zinc/42/39/53/891423953.db2.gz SKCKUPYARDICSN-UWVGGRQHSA-N 2 1 299.375 -1.431 20 0 CAADMP C[C@H]([NH2+][C@@H](CO)CNC(=O)C12CCC[NH+]1CCC2)C(N)=O ZINC001441717906 891437668 /nfs/dbraw/zinc/43/76/68/891437668.db2.gz WAEHCEXJGPVPHE-WDEREUQCSA-N 2 1 298.387 -1.445 20 0 CAADMP CC[C@@H]([NH2+][C@@H](CO)CNC(=O)Cn1cc[nH+]c1C)C(N)=O ZINC001441791843 891455187 /nfs/dbraw/zinc/45/51/87/891455187.db2.gz LQABROKQZXPDJC-GHMZBOCLSA-N 2 1 297.359 -1.478 20 0 CAADMP C[C@@H](CNC(=O)C[N@H+]1CC[C@H](C)C1)[NH2+]CC(=O)NC(N)=O ZINC001441942482 891466201 /nfs/dbraw/zinc/46/62/01/891466201.db2.gz CJUROZJICNZOMF-UWVGGRQHSA-N 2 1 299.375 -1.383 20 0 CAADMP CN(C[C@@H](O)C[N@@H+](C)CCO)C(=O)[C@@H]1CCC[NH+]1C ZINC001442046758 891477231 /nfs/dbraw/zinc/47/72/31/891477231.db2.gz DNVPJHKUCHUBOU-RYUDHWBXSA-N 2 1 273.377 -1.176 20 0 CAADMP CN(C[C@@H](O)C[NH+](C)CCO)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001442046758 891477233 /nfs/dbraw/zinc/47/72/33/891477233.db2.gz DNVPJHKUCHUBOU-RYUDHWBXSA-N 2 1 273.377 -1.176 20 0 CAADMP CN(C[C@@H](O)C[NH+](C)CCO)C(=O)[C@@H]1CCC[N@H+]1C ZINC001442046758 891477238 /nfs/dbraw/zinc/47/72/38/891477238.db2.gz DNVPJHKUCHUBOU-RYUDHWBXSA-N 2 1 273.377 -1.176 20 0 CAADMP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@@H](C)[NH2+]CC(=O)NC)C1 ZINC001442043490 891477253 /nfs/dbraw/zinc/47/72/53/891477253.db2.gz FIFSNWLCOAOUHR-GHMZBOCLSA-N 2 1 286.376 -1.453 20 0 CAADMP CC[N@H+]1CCO[C@@H](C(=O)NC[C@@H](C)[NH2+]CC(=O)NC)C1 ZINC001442043490 891477257 /nfs/dbraw/zinc/47/72/57/891477257.db2.gz FIFSNWLCOAOUHR-GHMZBOCLSA-N 2 1 286.376 -1.453 20 0 CAADMP CNC(=O)C[NH2+][C@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001442106086 891484969 /nfs/dbraw/zinc/48/49/69/891484969.db2.gz UGKVQUZCIFQRBQ-LBPRGKRZSA-N 2 1 298.387 -1.355 20 0 CAADMP C[C@@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)C[NH2+]CC(N)=O ZINC001444283887 891566418 /nfs/dbraw/zinc/56/64/18/891566418.db2.gz FOUVXYKWYLGKLJ-ZJUUUORDSA-N 2 1 272.349 -1.856 20 0 CAADMP C[C@@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)C[NH2+]CC(N)=O ZINC001444283887 891566428 /nfs/dbraw/zinc/56/64/28/891566428.db2.gz FOUVXYKWYLGKLJ-ZJUUUORDSA-N 2 1 272.349 -1.856 20 0 CAADMP CNC(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001445161573 891609351 /nfs/dbraw/zinc/60/93/51/891609351.db2.gz SITCSPXUHDYTNM-NXEZZACHSA-N 2 1 288.348 -2.870 20 0 CAADMP CNC(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001445161573 891609358 /nfs/dbraw/zinc/60/93/58/891609358.db2.gz SITCSPXUHDYTNM-NXEZZACHSA-N 2 1 288.348 -2.870 20 0 CAADMP CNC(=O)C[NH2+]C[C@H](O)CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001445161949 891610559 /nfs/dbraw/zinc/61/05/59/891610559.db2.gz SITCSPXUHDYTNM-UWVGGRQHSA-N 2 1 288.348 -2.870 20 0 CAADMP CNC(=O)C[NH2+]C[C@H](O)CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001445161949 891610564 /nfs/dbraw/zinc/61/05/64/891610564.db2.gz SITCSPXUHDYTNM-UWVGGRQHSA-N 2 1 288.348 -2.870 20 0 CAADMP Cc1c[nH+]cn1CC(=O)NC[C@H](O)C[NH2+][C@H]1CCNC1=O ZINC001445207075 891615985 /nfs/dbraw/zinc/61/59/85/891615985.db2.gz KHGCDPBFLKBDCG-MNOVXSKESA-N 2 1 295.343 -1.853 20 0 CAADMP Cc1c[nH+]cn1CC(=O)NC[C@@H](O)C[NH2+][C@H]1CCNC1=O ZINC001445207077 891616614 /nfs/dbraw/zinc/61/66/14/891616614.db2.gz KHGCDPBFLKBDCG-QWRGUYRKSA-N 2 1 295.343 -1.853 20 0 CAADMP Cc1c[nH+]cn1CC(=O)NC[C@H](O)C[NH2+][C@@H]1CCNC1=O ZINC001445207067 891617117 /nfs/dbraw/zinc/61/71/17/891617117.db2.gz KHGCDPBFLKBDCG-GHMZBOCLSA-N 2 1 295.343 -1.853 20 0 CAADMP CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001445273800 891624462 /nfs/dbraw/zinc/62/44/62/891624462.db2.gz RELCYWSBIKYRIR-GHMZBOCLSA-N 2 1 286.376 -1.859 20 0 CAADMP CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001445273807 891625589 /nfs/dbraw/zinc/62/55/89/891625589.db2.gz RELCYWSBIKYRIR-QWRGUYRKSA-N 2 1 286.376 -1.859 20 0 CAADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H](C[NH2+]CC(N)=O)C2CC2)C1 ZINC001445992277 891659547 /nfs/dbraw/zinc/65/95/47/891659547.db2.gz ZICZTLNVFGIEIQ-NWDGAFQWSA-N 2 1 298.387 -1.323 20 0 CAADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H](C[NH2+]CC(N)=O)C2CC2)C1 ZINC001445992277 891659555 /nfs/dbraw/zinc/65/95/55/891659555.db2.gz ZICZTLNVFGIEIQ-NWDGAFQWSA-N 2 1 298.387 -1.323 20 0 CAADMP CC[N@@H+]1CCO[C@@H](C(=O)NCC2([NH2+]CCO)CC2)C1 ZINC001446301615 891672737 /nfs/dbraw/zinc/67/27/37/891672737.db2.gz UUCCKOQLMRWFLT-LLVKDONJSA-N 2 1 271.361 -1.062 20 0 CAADMP CC[N@H+]1CCO[C@@H](C(=O)NCC2([NH2+]CCO)CC2)C1 ZINC001446301615 891672746 /nfs/dbraw/zinc/67/27/46/891672746.db2.gz UUCCKOQLMRWFLT-LLVKDONJSA-N 2 1 271.361 -1.062 20 0 CAADMP C[N@@H+]1CCO[C@@H](C(=O)N2CC[C@@](C)(C[NH2+]CC(N)=O)C2)C1 ZINC001446586882 891682375 /nfs/dbraw/zinc/68/23/75/891682375.db2.gz RSAKFDMIZACEPR-RISCZKNCSA-N 2 1 298.387 -1.370 20 0 CAADMP C[N@H+]1CCO[C@@H](C(=O)N2CC[C@@](C)(C[NH2+]CC(N)=O)C2)C1 ZINC001446586882 891682380 /nfs/dbraw/zinc/68/23/80/891682380.db2.gz RSAKFDMIZACEPR-RISCZKNCSA-N 2 1 298.387 -1.370 20 0 CAADMP C[N@@H+]1CCO[C@H](C(=O)N2CC[C@@](C)(C[NH2+]CC(N)=O)C2)C1 ZINC001446586881 891682415 /nfs/dbraw/zinc/68/24/15/891682415.db2.gz RSAKFDMIZACEPR-FZMZJTMJSA-N 2 1 298.387 -1.370 20 0 CAADMP C[N@H+]1CCO[C@H](C(=O)N2CC[C@@](C)(C[NH2+]CC(N)=O)C2)C1 ZINC001446586881 891682422 /nfs/dbraw/zinc/68/24/22/891682422.db2.gz RSAKFDMIZACEPR-FZMZJTMJSA-N 2 1 298.387 -1.370 20 0 CAADMP C[C@@H]1[C@H](C(=O)NC[C@]2(O)CC[NH+](CCO)C2)CC[N@H+]1C ZINC001446770742 891691305 /nfs/dbraw/zinc/69/13/05/891691305.db2.gz SGEJJTRZYGSXAR-YRGRVCCFSA-N 2 1 285.388 -1.128 20 0 CAADMP C[C@@H]1[C@H](C(=O)NC[C@]2(O)CC[N@H+](CCO)C2)CC[NH+]1C ZINC001446770742 891691316 /nfs/dbraw/zinc/69/13/16/891691316.db2.gz SGEJJTRZYGSXAR-YRGRVCCFSA-N 2 1 285.388 -1.128 20 0 CAADMP C[C@@H]1[C@H](C(=O)NC[C@]2(O)CC[N@@H+](CCO)C2)CC[NH+]1C ZINC001446770742 891691321 /nfs/dbraw/zinc/69/13/21/891691321.db2.gz SGEJJTRZYGSXAR-YRGRVCCFSA-N 2 1 285.388 -1.128 20 0 CAADMP C[N@@H+]1CCO[C@@H](C(=O)NCC2([NH2+]CCO)CCC2)C1 ZINC001447195603 891717607 /nfs/dbraw/zinc/71/76/07/891717607.db2.gz DGRKQBKAAJEQND-LLVKDONJSA-N 2 1 271.361 -1.062 20 0 CAADMP C[N@H+]1CCO[C@@H](C(=O)NCC2([NH2+]CCO)CCC2)C1 ZINC001447195603 891717609 /nfs/dbraw/zinc/71/76/09/891717609.db2.gz DGRKQBKAAJEQND-LLVKDONJSA-N 2 1 271.361 -1.062 20 0 CAADMP C[N@@H+]1CCO[C@H](C(=O)NCC2([NH2+]CCO)CCC2)C1 ZINC001447195613 891718019 /nfs/dbraw/zinc/71/80/19/891718019.db2.gz DGRKQBKAAJEQND-NSHDSACASA-N 2 1 271.361 -1.062 20 0 CAADMP C[N@H+]1CCO[C@H](C(=O)NCC2([NH2+]CCO)CCC2)C1 ZINC001447195613 891718027 /nfs/dbraw/zinc/71/80/27/891718027.db2.gz DGRKQBKAAJEQND-NSHDSACASA-N 2 1 271.361 -1.062 20 0 CAADMP C[N@@H+](CC(=O)N1CCO[C@H](C[NH2+]CC(N)=O)C1)C1CCC1 ZINC001447288755 891722111 /nfs/dbraw/zinc/72/21/11/891722111.db2.gz RFYPSZYIHMPTFK-GFCCVEGCSA-N 2 1 298.387 -1.227 20 0 CAADMP C[N@H+]1CCC[C@H]1CCC(=O)NC[C@H](CO)[NH2+]CC(N)=O ZINC001448860869 891794901 /nfs/dbraw/zinc/79/49/01/891794901.db2.gz FAQNBYAZXZSQGM-MNOVXSKESA-N 2 1 286.376 -1.587 20 0 CAADMP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@H](CO)[NH2+]CC(N)=O ZINC001448846632 891796538 /nfs/dbraw/zinc/79/65/38/891796538.db2.gz SBRFOGWFGFEZAQ-MNOVXSKESA-N 2 1 286.376 -1.589 20 0 CAADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@H](CO)[NH2+]CC(N)=O ZINC001448846632 891796546 /nfs/dbraw/zinc/79/65/46/891796546.db2.gz SBRFOGWFGFEZAQ-MNOVXSKESA-N 2 1 286.376 -1.589 20 0 CAADMP C[N@H+]1CC[C@H](C(=O)NC[C@H](CO)[NH2+]CCn2cccn2)C1 ZINC001448949470 891816308 /nfs/dbraw/zinc/81/63/08/891816308.db2.gz GBDQIIAOUDBCOP-QWHCGFSZSA-N 2 1 295.387 -1.099 20 0 CAADMP C[N@H+]1CC[C@@H](C(=O)NC[C@@H](CO)[NH2+]CCn2cccn2)C1 ZINC001448949468 891817338 /nfs/dbraw/zinc/81/73/38/891817338.db2.gz GBDQIIAOUDBCOP-OLZOCXBDSA-N 2 1 295.387 -1.099 20 0 CAADMP C[C@H]1CC[N@@H+](CC(=O)N(C)C[C@@H](O)C[NH2+]CC(N)=O)C1 ZINC001449163370 891837610 /nfs/dbraw/zinc/83/76/10/891837610.db2.gz UNHZZTSHSDRMSW-QWRGUYRKSA-N 2 1 286.376 -1.778 20 0 CAADMP CC(C)[N@@H+](C)CC(=O)N(C)C[C@@H](O)C[NH2+][C@H](C)C(N)=O ZINC001449201956 891841274 /nfs/dbraw/zinc/84/12/74/891841274.db2.gz ZMOMGBLWKXTBFE-MNOVXSKESA-N 2 1 288.392 -1.391 20 0 CAADMP CN(C[C@H](O)C[N@H+](C)CC(N)=O)C(=O)CC[NH+](C)C ZINC001449218212 891843988 /nfs/dbraw/zinc/84/39/88/891843988.db2.gz QCNNGHBTZDQYPB-SNVBAGLBSA-N 2 1 274.365 -1.826 20 0 CAADMP CN(C[C@H](O)C[N@@H+](C)CC(N)=O)C(=O)CC[NH+](C)C ZINC001449218212 891843996 /nfs/dbraw/zinc/84/39/96/891843996.db2.gz QCNNGHBTZDQYPB-SNVBAGLBSA-N 2 1 274.365 -1.826 20 0 CAADMP CNC(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)Cn1cc[nH+]c1C ZINC001449193293 891844431 /nfs/dbraw/zinc/84/44/31/891844431.db2.gz QXJFSPGTILABLC-LLVKDONJSA-N 2 1 297.359 -1.654 20 0 CAADMP CN(C[C@@H](O)C[N@@H+](C)CCO)C(=O)[C@H]1CC[NH+](C)C1 ZINC001449249318 891845115 /nfs/dbraw/zinc/84/51/15/891845115.db2.gz UUOPROBAVZCHFP-RYUDHWBXSA-N 2 1 273.377 -1.319 20 0 CAADMP CN(C[C@@H](O)C[NH+](C)CCO)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001449249318 891845129 /nfs/dbraw/zinc/84/51/29/891845129.db2.gz UUOPROBAVZCHFP-RYUDHWBXSA-N 2 1 273.377 -1.319 20 0 CAADMP CN(C[C@@H](O)C[NH+](C)CCO)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001449249318 891845138 /nfs/dbraw/zinc/84/51/38/891845138.db2.gz UUOPROBAVZCHFP-RYUDHWBXSA-N 2 1 273.377 -1.319 20 0 CAADMP CC[N@H+](C)C[C@@H](O)C[NH+]1C[C@H](C(N)=O)[C@H](C(N)=O)C1 ZINC001460431019 892147364 /nfs/dbraw/zinc/14/73/64/892147364.db2.gz IUJWMJOAKXXRMJ-BBBLOLIVSA-N 2 1 272.349 -2.182 20 0 CAADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1C[C@H](C(N)=O)[C@H](C(N)=O)C1 ZINC001460431019 892147385 /nfs/dbraw/zinc/14/73/85/892147385.db2.gz IUJWMJOAKXXRMJ-BBBLOLIVSA-N 2 1 272.349 -2.182 20 0 CAADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1C[C@H](C(N)=O)[C@H](C(N)=O)C1 ZINC001460431019 892147397 /nfs/dbraw/zinc/14/73/97/892147397.db2.gz IUJWMJOAKXXRMJ-BBBLOLIVSA-N 2 1 272.349 -2.182 20 0 CAADMP CC[NH+](C)C[C@@H](O)C[N@H+]1C[C@H](C(N)=O)[C@H](C(N)=O)C1 ZINC001460431019 892147409 /nfs/dbraw/zinc/14/74/09/892147409.db2.gz IUJWMJOAKXXRMJ-BBBLOLIVSA-N 2 1 272.349 -2.182 20 0 CAADMP CC[N@H+](C)C[C@H](O)C[NH+]1C[C@H](C(N)=O)[C@@H](C(N)=O)C1 ZINC001460431026 892149800 /nfs/dbraw/zinc/14/98/00/892149800.db2.gz IUJWMJOAKXXRMJ-GUBZILKMSA-N 2 1 272.349 -2.182 20 0 CAADMP CC[N@@H+](C)C[C@H](O)C[NH+]1C[C@H](C(N)=O)[C@@H](C(N)=O)C1 ZINC001460431026 892149807 /nfs/dbraw/zinc/14/98/07/892149807.db2.gz IUJWMJOAKXXRMJ-GUBZILKMSA-N 2 1 272.349 -2.182 20 0 CAADMP O=C(NCC[NH+]1CCC(O)CC1)[C@@H]1C[N@H+]2CCN1CCC2 ZINC001472563004 892404471 /nfs/dbraw/zinc/40/44/71/892404471.db2.gz AOQFUKYPOZCXJL-AWEZNQCLSA-N 2 1 296.415 -1.051 20 0 CAADMP CN1CCN(C(=O)CC[N@H+]2C[C@@H](O)[C@H](CO)C2)CC1 ZINC001473538302 892418540 /nfs/dbraw/zinc/41/85/40/892418540.db2.gz LUCFCOOWZMSVHW-NWDGAFQWSA-N 2 1 271.361 -1.565 20 0 CAADMP C[NH+]1CCN(C(=O)CC[N@@H+]2C[C@@H](O)[C@H](CO)C2)CC1 ZINC001473538302 892418548 /nfs/dbraw/zinc/41/85/48/892418548.db2.gz LUCFCOOWZMSVHW-NWDGAFQWSA-N 2 1 271.361 -1.565 20 0 CAADMP C[NH+]1CCN(C(=O)CC[N@H+]2C[C@@H](O)[C@H](CO)C2)CC1 ZINC001473538302 892418554 /nfs/dbraw/zinc/41/85/54/892418554.db2.gz LUCFCOOWZMSVHW-NWDGAFQWSA-N 2 1 271.361 -1.565 20 0 CAADMP CN1CCN(C(=O)CC[N@H+]2C[C@H](O)[C@H](CO)C2)CC1 ZINC001473538303 892419957 /nfs/dbraw/zinc/41/99/57/892419957.db2.gz LUCFCOOWZMSVHW-RYUDHWBXSA-N 2 1 271.361 -1.565 20 0 CAADMP C[NH+]1CCN(C(=O)CC[N@@H+]2C[C@H](O)[C@H](CO)C2)CC1 ZINC001473538303 892419965 /nfs/dbraw/zinc/41/99/65/892419965.db2.gz LUCFCOOWZMSVHW-RYUDHWBXSA-N 2 1 271.361 -1.565 20 0 CAADMP C[NH+]1CCN(C(=O)CC[N@H+]2C[C@H](O)[C@H](CO)C2)CC1 ZINC001473538303 892419972 /nfs/dbraw/zinc/41/99/72/892419972.db2.gz LUCFCOOWZMSVHW-RYUDHWBXSA-N 2 1 271.361 -1.565 20 0 CAADMP C[N@H+](CCCNC(=O)[C@@H]1C[NH+](C)CCO1)[C@H]1CCNC1=O ZINC001479763554 892481847 /nfs/dbraw/zinc/48/18/47/892481847.db2.gz LSYSAKDSMDONGQ-RYUDHWBXSA-N 2 1 298.387 -1.356 20 0 CAADMP C[N@@H+](CCCNC(=O)[C@@H]1C[NH+](C)CCO1)[C@H]1CCNC1=O ZINC001479763554 892481853 /nfs/dbraw/zinc/48/18/53/892481853.db2.gz LSYSAKDSMDONGQ-RYUDHWBXSA-N 2 1 298.387 -1.356 20 0 CAADMP C[NH+](CCCNC(=O)[C@@H]1C[N@H+](C)CCO1)[C@H]1CCNC1=O ZINC001479763554 892481858 /nfs/dbraw/zinc/48/18/58/892481858.db2.gz LSYSAKDSMDONGQ-RYUDHWBXSA-N 2 1 298.387 -1.356 20 0 CAADMP C[NH+](CCCNC(=O)[C@@H]1C[N@@H+](C)CCO1)[C@H]1CCNC1=O ZINC001479763554 892481865 /nfs/dbraw/zinc/48/18/65/892481865.db2.gz LSYSAKDSMDONGQ-RYUDHWBXSA-N 2 1 298.387 -1.356 20 0 CAADMP C[N@H+](CCCNC(=O)[C@H]1C[NH+](C)CCO1)[C@@H]1CCNC1=O ZINC001479763596 892482395 /nfs/dbraw/zinc/48/23/95/892482395.db2.gz LSYSAKDSMDONGQ-VXGBXAGGSA-N 2 1 298.387 -1.356 20 0 CAADMP C[N@@H+](CCCNC(=O)[C@H]1C[NH+](C)CCO1)[C@@H]1CCNC1=O ZINC001479763596 892482401 /nfs/dbraw/zinc/48/24/01/892482401.db2.gz LSYSAKDSMDONGQ-VXGBXAGGSA-N 2 1 298.387 -1.356 20 0 CAADMP C[NH+](CCCNC(=O)[C@H]1C[N@H+](C)CCO1)[C@@H]1CCNC1=O ZINC001479763596 892482408 /nfs/dbraw/zinc/48/24/08/892482408.db2.gz LSYSAKDSMDONGQ-VXGBXAGGSA-N 2 1 298.387 -1.356 20 0 CAADMP C[NH+](CCCNC(=O)[C@H]1C[N@@H+](C)CCO1)[C@@H]1CCNC1=O ZINC001479763596 892482415 /nfs/dbraw/zinc/48/24/15/892482415.db2.gz LSYSAKDSMDONGQ-VXGBXAGGSA-N 2 1 298.387 -1.356 20 0 CAADMP C[N@H+]1CC[C@H](C(=O)N[C@H]2C[C@H]([NH2+]CC(=O)NC(N)=O)C2)C1 ZINC001480170870 892505567 /nfs/dbraw/zinc/50/55/67/892505567.db2.gz GUUXTKHBMRDXAH-GUBZILKMSA-N 2 1 297.359 -1.630 20 0 CAADMP C[N@H+]1CC[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]CC(=O)NC(N)=O)C2)C1 ZINC001480236925 892506813 /nfs/dbraw/zinc/50/68/13/892506813.db2.gz GUUXTKHBMRDXAH-BBBLOLIVSA-N 2 1 297.359 -1.630 20 0 CAADMP C[N@H+]1CC[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]CC(=O)NC(N)=O)C2)C1 ZINC001480236926 892508746 /nfs/dbraw/zinc/50/87/46/892508746.db2.gz GUUXTKHBMRDXAH-LPEHRKFASA-N 2 1 297.359 -1.630 20 0 CAADMP CNC(=O)NC(=O)C[NH2+][C@@H](C)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001480436842 892515849 /nfs/dbraw/zinc/51/58/49/892515849.db2.gz YNSNQLZQMHBVRK-UWVGGRQHSA-N 2 1 299.375 -1.370 20 0 CAADMP CC[N@H+](CCNC(=O)[C@H]1CC[NH+](C)C1)CC(=O)NC(N)=O ZINC001481016268 892572455 /nfs/dbraw/zinc/57/24/55/892572455.db2.gz HYFXZNUSJHEBFL-JTQLQIEISA-N 2 1 299.375 -1.429 20 0 CAADMP CC[N@@H+](CCNC(=O)[C@H]1CC[NH+](C)C1)CC(=O)NC(N)=O ZINC001481016268 892572463 /nfs/dbraw/zinc/57/24/63/892572463.db2.gz HYFXZNUSJHEBFL-JTQLQIEISA-N 2 1 299.375 -1.429 20 0 CAADMP CC[NH+](CCNC(=O)[C@H]1CC[N@H+](C)C1)CC(=O)NC(N)=O ZINC001481016268 892572466 /nfs/dbraw/zinc/57/24/66/892572466.db2.gz HYFXZNUSJHEBFL-JTQLQIEISA-N 2 1 299.375 -1.429 20 0 CAADMP CC[NH+](CCNC(=O)[C@H]1CC[N@@H+](C)C1)CC(=O)NC(N)=O ZINC001481016268 892572473 /nfs/dbraw/zinc/57/24/73/892572473.db2.gz HYFXZNUSJHEBFL-JTQLQIEISA-N 2 1 299.375 -1.429 20 0 CAADMP CC[N@H+](CCNC(=O)[C@@H]1CC[NH+](C)C1)CC(=O)NC(N)=O ZINC001481016269 892574648 /nfs/dbraw/zinc/57/46/48/892574648.db2.gz HYFXZNUSJHEBFL-SNVBAGLBSA-N 2 1 299.375 -1.429 20 0 CAADMP CC[N@@H+](CCNC(=O)[C@@H]1CC[NH+](C)C1)CC(=O)NC(N)=O ZINC001481016269 892574655 /nfs/dbraw/zinc/57/46/55/892574655.db2.gz HYFXZNUSJHEBFL-SNVBAGLBSA-N 2 1 299.375 -1.429 20 0 CAADMP CC[NH+](CCNC(=O)[C@@H]1CC[N@H+](C)C1)CC(=O)NC(N)=O ZINC001481016269 892574662 /nfs/dbraw/zinc/57/46/62/892574662.db2.gz HYFXZNUSJHEBFL-SNVBAGLBSA-N 2 1 299.375 -1.429 20 0 CAADMP CC[NH+](CCNC(=O)[C@@H]1CC[N@@H+](C)C1)CC(=O)NC(N)=O ZINC001481016269 892574666 /nfs/dbraw/zinc/57/46/66/892574666.db2.gz HYFXZNUSJHEBFL-SNVBAGLBSA-N 2 1 299.375 -1.429 20 0 CAADMP CC[C@@H]([NH2+]CCN(C)C(=O)[C@H]1C[N@H+](C)CCO1)C(N)=O ZINC001481217226 892586118 /nfs/dbraw/zinc/58/61/18/892586118.db2.gz GJYNSAZPZYPEEV-GHMZBOCLSA-N 2 1 286.376 -1.371 20 0 CAADMP CC[C@@H]([NH2+]CCN(C)C(=O)[C@H]1C[N@@H+](C)CCO1)C(N)=O ZINC001481217226 892586127 /nfs/dbraw/zinc/58/61/27/892586127.db2.gz GJYNSAZPZYPEEV-GHMZBOCLSA-N 2 1 286.376 -1.371 20 0 CAADMP CNC(=O)C[NH2+]CCN(C)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001481217106 892587593 /nfs/dbraw/zinc/58/75/93/892587593.db2.gz BVNFQNMMRWMUOC-JTQLQIEISA-N 2 1 272.349 -1.889 20 0 CAADMP CNC(=O)C[NH2+]CCN(C)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001481217106 892587598 /nfs/dbraw/zinc/58/75/98/892587598.db2.gz BVNFQNMMRWMUOC-JTQLQIEISA-N 2 1 272.349 -1.889 20 0 CAADMP CN(CC[NH2+][C@H]1CCCNC1=O)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001481217696 892588066 /nfs/dbraw/zinc/58/80/66/892588066.db2.gz QECOAHSFPUKKBU-NWDGAFQWSA-N 2 1 298.387 -1.356 20 0 CAADMP CN(CC[NH2+][C@H]1CCCNC1=O)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001481217696 892588079 /nfs/dbraw/zinc/58/80/79/892588079.db2.gz QECOAHSFPUKKBU-NWDGAFQWSA-N 2 1 298.387 -1.356 20 0 CAADMP O=C(CC[NH+]1CCOCC1)NCC1C[NH+](CCO)C1 ZINC001481650261 892615860 /nfs/dbraw/zinc/61/58/60/892615860.db2.gz FKATYEDEQSGGLF-UHFFFAOYSA-N 2 1 271.361 -1.251 20 0 CAADMP CC[C@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)[NH2+]CCO ZINC001481798834 892627854 /nfs/dbraw/zinc/62/78/54/892627854.db2.gz VJNGWAGEBWERPY-GHMZBOCLSA-N 2 1 259.350 -1.206 20 0 CAADMP CC[C@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)[NH2+]CCO ZINC001481798834 892627860 /nfs/dbraw/zinc/62/78/60/892627860.db2.gz VJNGWAGEBWERPY-GHMZBOCLSA-N 2 1 259.350 -1.206 20 0 CAADMP CC[C@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)[NH2+]CCO ZINC001481798835 892628580 /nfs/dbraw/zinc/62/85/80/892628580.db2.gz VJNGWAGEBWERPY-MNOVXSKESA-N 2 1 259.350 -1.206 20 0 CAADMP CC[C@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)[NH2+]CCO ZINC001481798835 892628584 /nfs/dbraw/zinc/62/85/84/892628584.db2.gz VJNGWAGEBWERPY-MNOVXSKESA-N 2 1 259.350 -1.206 20 0 CAADMP C[C@@H](O)C[NH2+]C[C@H](O)CNC(=O)C[N@@H+](C)C1CCC1 ZINC001482737490 892679700 /nfs/dbraw/zinc/67/97/00/892679700.db2.gz NTNCEWPJMZAWDT-PWSUYJOCSA-N 2 1 273.377 -1.082 20 0 CAADMP C[C@H](O)C[NH2+]C[C@@H](O)CNC(=O)C[N@@H+](C)C1CCC1 ZINC001482737488 892679833 /nfs/dbraw/zinc/67/98/33/892679833.db2.gz NTNCEWPJMZAWDT-CMPLNLGQSA-N 2 1 273.377 -1.082 20 0 CAADMP Cc1c[nH+]cn1CC(=O)NC[C@H](O)C[NH2+][C@H](C)C(N)=O ZINC001482750682 892684953 /nfs/dbraw/zinc/68/49/53/892684953.db2.gz XYLUYAQGFJVPGQ-NXEZZACHSA-N 2 1 283.332 -1.868 20 0 CAADMP CNC(=O)C[NH2+]C[C@@H](O)CNC(=O)Cn1c[nH+]cc1C ZINC001482749975 892686822 /nfs/dbraw/zinc/68/68/22/892686822.db2.gz IDGVYDXGFCYBDU-SNVBAGLBSA-N 2 1 283.332 -1.996 20 0 CAADMP C[C@H]1CC[N@@H+](CC(=O)NC[C@H](O)C[NH2+]CC(N)=O)C1 ZINC001482767484 892696059 /nfs/dbraw/zinc/69/60/59/892696059.db2.gz NNAUXWQSHDOCJA-VHSXEESVSA-N 2 1 272.349 -2.120 20 0 CAADMP Cn1ccnc1C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001482790449 892705889 /nfs/dbraw/zinc/70/58/89/892705889.db2.gz CHPTUAOSNKUZAF-VXGBXAGGSA-N 2 1 295.387 -1.062 20 0 CAADMP Cc1[nH+]ccn1CC(=O)NC[C@@H](O)C[NH2+]CC(N)=O ZINC001482791346 892706414 /nfs/dbraw/zinc/70/64/14/892706414.db2.gz AMFOKFLRZFIBQK-VIFPVBQESA-N 2 1 269.305 -2.256 20 0 CAADMP CC(C)[N@H+](C)CC(=O)NC[C@H](O)C[NH2+]Cc1nnnn1C ZINC001482798857 892707942 /nfs/dbraw/zinc/70/79/42/892707942.db2.gz KJVUOVBQQCVFDX-SNVBAGLBSA-N 2 1 299.379 -1.883 20 0 CAADMP CC(C)[N@@H+](C)CC(=O)NC[C@H](O)C[NH2+]Cc1nnnn1C ZINC001482798857 892707948 /nfs/dbraw/zinc/70/79/48/892707948.db2.gz KJVUOVBQQCVFDX-SNVBAGLBSA-N 2 1 299.379 -1.883 20 0 CAADMP CC[N@@H+]1CCO[C@H](C(=O)NC[C@H](O)C[NH2+]CC(N)=O)C1 ZINC001482797449 892709522 /nfs/dbraw/zinc/70/95/22/892709522.db2.gz QELUMMURCMRITP-ZJUUUORDSA-N 2 1 288.348 -2.741 20 0 CAADMP CC[N@H+]1CCO[C@H](C(=O)NC[C@H](O)C[NH2+]CC(N)=O)C1 ZINC001482797449 892709531 /nfs/dbraw/zinc/70/95/31/892709531.db2.gz QELUMMURCMRITP-ZJUUUORDSA-N 2 1 288.348 -2.741 20 0 CAADMP CNC(=O)[C@H](C)[NH2+]C/C=C/CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001482991811 892721601 /nfs/dbraw/zinc/72/16/01/892721601.db2.gz CKFWJDQBXAOXTN-RUULKOMLSA-N 2 1 298.387 -1.287 20 0 CAADMP CNC(=O)[C@H](C)[NH2+]C/C=C/CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001482991811 892721615 /nfs/dbraw/zinc/72/16/15/892721615.db2.gz CKFWJDQBXAOXTN-RUULKOMLSA-N 2 1 298.387 -1.287 20 0 CAADMP C[C@H](O)C[NH2+]C/C=C\CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001482993157 892721881 /nfs/dbraw/zinc/72/18/81/892721881.db2.gz OSWFNSYLRVVSFO-RRNNCXACSA-N 2 1 271.361 -1.040 20 0 CAADMP C[C@H](O)C[NH2+]C/C=C\CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001482993157 892721893 /nfs/dbraw/zinc/72/18/93/892721893.db2.gz OSWFNSYLRVVSFO-RRNNCXACSA-N 2 1 271.361 -1.040 20 0 CAADMP C[C@H](C[NH2+]CCOCCO)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001483118380 892732506 /nfs/dbraw/zinc/73/25/06/892732506.db2.gz VRGPIRATQMMYFL-NEPJUHHUSA-N 2 1 289.376 -1.580 20 0 CAADMP C[C@H](C[NH2+]CCOCCO)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001483118380 892732509 /nfs/dbraw/zinc/73/25/09/892732509.db2.gz VRGPIRATQMMYFL-NEPJUHHUSA-N 2 1 289.376 -1.580 20 0 CAADMP CNC(=O)C[NH2+]C[C@H](C)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001483214339 892743921 /nfs/dbraw/zinc/74/39/21/892743921.db2.gz JFAPPPJGGBBFPM-UWVGGRQHSA-N 2 1 256.350 -1.079 20 0 CAADMP C[NH+](C)CC1(C(=O)NC[C@@]2(O)CC[N@H+](CC(N)=O)C2)CC1 ZINC001484235045 892822153 /nfs/dbraw/zinc/82/21/53/892822153.db2.gz ZRPXCVDFOURCEG-AWEZNQCLSA-N 2 1 298.387 -1.634 20 0 CAADMP C[NH+](C)CC1(C(=O)NC[C@@]2(O)CC[N@@H+](CC(N)=O)C2)CC1 ZINC001484235045 892822174 /nfs/dbraw/zinc/82/21/74/892822174.db2.gz ZRPXCVDFOURCEG-AWEZNQCLSA-N 2 1 298.387 -1.634 20 0 CAADMP C[NH+](C)CCC(=O)NC[C@]1(O)CC[N@H+](CC(N)=O)C1 ZINC001484237890 892825347 /nfs/dbraw/zinc/82/53/47/892825347.db2.gz FOQDSEFGFOWACD-GFCCVEGCSA-N 2 1 272.349 -2.024 20 0 CAADMP C[NH+](C)CCC(=O)NC[C@]1(O)CC[N@@H+](CC(N)=O)C1 ZINC001484237890 892825353 /nfs/dbraw/zinc/82/53/53/892825353.db2.gz FOQDSEFGFOWACD-GFCCVEGCSA-N 2 1 272.349 -2.024 20 0 CAADMP C[N@H+]1CCCC[C@@H]1C(=O)N(CCO)CC[NH2+]CC(N)=O ZINC001484487464 892867158 /nfs/dbraw/zinc/86/71/58/892867158.db2.gz LIUVBVDLGJZUHJ-LLVKDONJSA-N 2 1 286.376 -1.634 20 0 CAADMP C[N@H+]1CC[C@H](C(=O)N2CCC[C@@](CO)([NH2+]CCO)C2)C1 ZINC001484855127 892894555 /nfs/dbraw/zinc/89/45/55/892894555.db2.gz YSXBGMBGJRWLEO-GXTWGEPZSA-N 2 1 285.388 -1.127 20 0 CAADMP COCC[NH2+][C@H](CO)CNC(=O)Cn1c[nH+]cc1C ZINC001486016356 892982853 /nfs/dbraw/zinc/98/28/53/892982853.db2.gz DOMWHBWEGIJHQJ-NSHDSACASA-N 2 1 270.333 -1.095 20 0 CAADMP C[N@H+]1CC[C@@H](CC(=O)NC[C@@H](CO)[NH2+]CC(N)=O)C1 ZINC001486052026 893003146 /nfs/dbraw/zinc/00/31/46/893003146.db2.gz BBNVPWFTBKMRJT-UWVGGRQHSA-N 2 1 272.349 -2.120 20 0 CAADMP CC[NH2+][C@@H](CO)CNC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001486063985 893006865 /nfs/dbraw/zinc/00/68/65/893006865.db2.gz WMZDBJMCAWXRAW-GHMZBOCLSA-N 2 1 259.350 -1.206 20 0 CAADMP CC[NH2+][C@@H](CO)CNC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001486063985 893006885 /nfs/dbraw/zinc/00/68/85/893006885.db2.gz WMZDBJMCAWXRAW-GHMZBOCLSA-N 2 1 259.350 -1.206 20 0 CAADMP CNC(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)Cn1c[nH+]cc1C ZINC001486289714 893040026 /nfs/dbraw/zinc/04/00/26/893040026.db2.gz QKCDFENZXOUQJP-LLVKDONJSA-N 2 1 297.359 -1.654 20 0 CAADMP CN(C[C@H](O)C[NH2+]Cc1ncnn1C)C(=O)CC[NH+](C)C ZINC001486298636 893042167 /nfs/dbraw/zinc/04/21/67/893042167.db2.gz UFCLEDAYKBLRMU-LLVKDONJSA-N 2 1 298.391 -1.324 20 0 CAADMP CN(C[C@@H](O)C[NH2+]Cc1ncnn1C)C(=O)CC[NH+](C)C ZINC001486298637 893042907 /nfs/dbraw/zinc/04/29/07/893042907.db2.gz UFCLEDAYKBLRMU-NSHDSACASA-N 2 1 298.391 -1.324 20 0 CAADMP CC(C)[N@@H+](C)CC(=O)N(C)C[C@H](O)C[NH2+]CCO ZINC001486317386 893053000 /nfs/dbraw/zinc/05/30/00/893053000.db2.gz HFDKJUJZEDIWSQ-LLVKDONJSA-N 2 1 261.366 -1.272 20 0 CAADMP CN(CCOCC[NH2+]CCO)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001486499121 893071994 /nfs/dbraw/zinc/07/19/94/893071994.db2.gz LVVLHVQYBPFADG-GFCCVEGCSA-N 2 1 273.377 -1.005 20 0 CAADMP CN(CCOCC[NH2+]CC(N)=O)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001486498799 893075900 /nfs/dbraw/zinc/07/59/00/893075900.db2.gz GQCUCDZTTNIPAM-LLVKDONJSA-N 2 1 286.376 -1.512 20 0 CAADMP C[N@@H+](CCCNC(=O)[C@H]1CC[NH+](C)C1)CC(N)=O ZINC001490280264 893195777 /nfs/dbraw/zinc/19/57/77/893195777.db2.gz WBMPJEXVTMWHHE-JTQLQIEISA-N 2 1 256.350 -1.139 20 0 CAADMP C[NH+](CCCNC(=O)[C@H]1CC[N@H+](C)C1)CC(N)=O ZINC001490280264 893195789 /nfs/dbraw/zinc/19/57/89/893195789.db2.gz WBMPJEXVTMWHHE-JTQLQIEISA-N 2 1 256.350 -1.139 20 0 CAADMP C[NH+](CCCNC(=O)[C@H]1CC[N@@H+](C)C1)CC(N)=O ZINC001490280264 893195799 /nfs/dbraw/zinc/19/57/99/893195799.db2.gz WBMPJEXVTMWHHE-JTQLQIEISA-N 2 1 256.350 -1.139 20 0 CAADMP Cc1c[nH+]cn1CC(=O)NC[C@@H](C)[NH2+]CC(N)=O ZINC001491528662 893286012 /nfs/dbraw/zinc/28/60/12/893286012.db2.gz NIWUYSRRRZYYPU-MRVPVSSYSA-N 2 1 253.306 -1.229 20 0 CAADMP C[C@H](CNC(=O)CC[NH+](C)C)[NH2+]Cc1nnnn1C ZINC001491569954 893294738 /nfs/dbraw/zinc/29/47/38/893294738.db2.gz WJDPJLBTKNBFIG-SECBINFHSA-N 2 1 269.353 -1.244 20 0 CAADMP C[N@@H+]1CCO[C@@H](C(=O)N2CC[C@H]([NH2+]CCCO)C2)C1 ZINC001491718639 893309370 /nfs/dbraw/zinc/30/93/70/893309370.db2.gz SWLCPCVOHZYXHG-NWDGAFQWSA-N 2 1 271.361 -1.110 20 0 CAADMP C[N@H+]1CCO[C@@H](C(=O)N2CC[C@H]([NH2+]CCCO)C2)C1 ZINC001491718639 893309385 /nfs/dbraw/zinc/30/93/85/893309385.db2.gz SWLCPCVOHZYXHG-NWDGAFQWSA-N 2 1 271.361 -1.110 20 0 CAADMP C[N@H+]1CC[C@@H](C(=O)N2CC[C@@H](C[NH2+]CC(N)=O)C2)C1 ZINC001491855799 893313939 /nfs/dbraw/zinc/31/39/39/893313939.db2.gz HNVDWIXXEZGAGE-WDEREUQCSA-N 2 1 268.361 -1.139 20 0 CAADMP C[N@H+](CCNC(=O)[C@@H]1CC[NH+](C)C1)CC(=O)NC(N)=O ZINC001492853374 893359460 /nfs/dbraw/zinc/35/94/60/893359460.db2.gz HDRZWJYAGVIWCJ-SECBINFHSA-N 2 1 285.348 -1.819 20 0 CAADMP C[N@@H+](CCNC(=O)[C@@H]1CC[NH+](C)C1)CC(=O)NC(N)=O ZINC001492853374 893359474 /nfs/dbraw/zinc/35/94/74/893359474.db2.gz HDRZWJYAGVIWCJ-SECBINFHSA-N 2 1 285.348 -1.819 20 0 CAADMP C[NH+](CCNC(=O)[C@@H]1CC[N@H+](C)C1)CC(=O)NC(N)=O ZINC001492853374 893359489 /nfs/dbraw/zinc/35/94/89/893359489.db2.gz HDRZWJYAGVIWCJ-SECBINFHSA-N 2 1 285.348 -1.819 20 0 CAADMP C[NH+](CCNC(=O)[C@@H]1CC[N@@H+](C)C1)CC(=O)NC(N)=O ZINC001492853374 893359502 /nfs/dbraw/zinc/35/95/02/893359502.db2.gz HDRZWJYAGVIWCJ-SECBINFHSA-N 2 1 285.348 -1.819 20 0 CAADMP CN(CC[NH2+][C@H]1CCC(=O)NC1=O)C(=O)[C@@H]1CCC[N@H+]1C ZINC001493499041 893399414 /nfs/dbraw/zinc/39/94/14/893399414.db2.gz GGHOULRSJSIMDG-QWRGUYRKSA-N 2 1 296.371 -1.066 20 0 CAADMP CN(CC[NH2+][C@@H]1CCC(=O)NC1=O)C(=O)[C@H]1CCC[N@H+]1C ZINC001493499034 893400311 /nfs/dbraw/zinc/40/03/11/893400311.db2.gz GGHOULRSJSIMDG-GHMZBOCLSA-N 2 1 296.371 -1.066 20 0 CAADMP CN(CC[NH2+]CCOCCO)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001493794718 893418208 /nfs/dbraw/zinc/41/82/08/893418208.db2.gz YYBKOIHTHRETPW-GFCCVEGCSA-N 2 1 273.377 -1.005 20 0 CAADMP CNC(=O)C[NH2+]C[C@@H](C)CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001495635966 893483197 /nfs/dbraw/zinc/48/31/97/893483197.db2.gz UILKQCPSFGWKNJ-MNOVXSKESA-N 2 1 286.376 -1.595 20 0 CAADMP CNC(=O)C[NH2+]C[C@@H](C)CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001495635966 893483205 /nfs/dbraw/zinc/48/32/05/893483205.db2.gz UILKQCPSFGWKNJ-MNOVXSKESA-N 2 1 286.376 -1.595 20 0 CAADMP C[C@H](C[NH2+]CC(N)=O)N(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001496229457 893511429 /nfs/dbraw/zinc/51/14/29/893511429.db2.gz IEGWRTPXXVOSMU-NXEZZACHSA-N 2 1 256.350 -1.140 20 0 CAADMP C[C@H](C[NH2+]CC(N)=O)N(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001496229460 893514692 /nfs/dbraw/zinc/51/46/92/893514692.db2.gz IEGWRTPXXVOSMU-ZJUUUORDSA-N 2 1 256.350 -1.140 20 0 CAADMP CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001496956023 893559333 /nfs/dbraw/zinc/55/93/33/893559333.db2.gz XHAZRBPGXNLIOP-QWRGUYRKSA-N 2 1 286.376 -1.717 20 0 CAADMP Cc1c[nH+]cn1CC(=O)NC[C@@H](O)C[NH2+]CCCO ZINC001497019825 893579720 /nfs/dbraw/zinc/57/97/20/893579720.db2.gz ZSBZIXUBRNTCTI-NSHDSACASA-N 2 1 270.333 -1.359 20 0 CAADMP Cc1[nH+]cc2n1C[C@H](C(=O)NC[C@H](O)C[NH2+]CCO)CC2 ZINC001497049836 893592364 /nfs/dbraw/zinc/59/23/64/893592364.db2.gz GSLLWCLODIBWCE-DGCLKSJQSA-N 2 1 296.371 -1.187 20 0 CAADMP Cc1[nH+]cc2n1CC[C@H](C(=O)NC[C@@H](O)C[NH2+]CCO)C2 ZINC001497052020 893593766 /nfs/dbraw/zinc/59/37/66/893593766.db2.gz BWCDFYHVKIFEKX-AAEUAGOBSA-N 2 1 296.371 -1.187 20 0 CAADMP CNC(=O)C[NH2+]C[C@@H](O)CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001497091010 893602350 /nfs/dbraw/zinc/60/23/50/893602350.db2.gz CXCOZJIHBFCIRB-GHMZBOCLSA-N 2 1 286.376 -1.859 20 0 CAADMP Cc1c[nH+]cn1CC(=O)NC/C=C\C[NH2+]CC(N)=O ZINC001497633272 893626599 /nfs/dbraw/zinc/62/65/99/893626599.db2.gz PPUMMMSLEMBIFE-IHWYPQMZSA-N 2 1 265.317 -1.061 20 0 CAADMP C[N@H+]1CCC[C@@H]1C(=O)NC/C=C/C[NH2+]CC(N)=O ZINC001497650618 893626656 /nfs/dbraw/zinc/62/66/56/893626656.db2.gz QVMLYFFUDRBZJP-VMZHVLLKSA-N 2 1 254.334 -1.172 20 0 CAADMP C[C@H](C[NH2+]CCCO)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001497799117 893635547 /nfs/dbraw/zinc/63/55/47/893635547.db2.gz PQNNSFPLKNGUNC-MNOVXSKESA-N 2 1 259.350 -1.206 20 0 CAADMP C[C@H](C[NH2+]CCCO)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001497799117 893635551 /nfs/dbraw/zinc/63/55/51/893635551.db2.gz PQNNSFPLKNGUNC-MNOVXSKESA-N 2 1 259.350 -1.206 20 0 CAADMP C[C@H](C[NH2+][C@H](C)C(=O)NC(N)=O)NC(=O)[C@H]1CCC[N@H+]1C ZINC001497877374 893639640 /nfs/dbraw/zinc/63/96/40/893639640.db2.gz NGGQUHRFQILHOZ-OPRDCNLKSA-N 2 1 299.375 -1.242 20 0 CAADMP C[C@@H](C[NH2+][C@@H](C)C(N)=O)NC(=O)CC[NH+]1CCOCC1 ZINC001498142197 893660132 /nfs/dbraw/zinc/66/01/32/893660132.db2.gz CMSSFPTVNRZQRY-QWRGUYRKSA-N 2 1 286.376 -1.323 20 0 CAADMP C[C@@H](C[NH2+]CC(=O)NC(N)=O)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001498190323 893663641 /nfs/dbraw/zinc/66/36/41/893663641.db2.gz NNTQZDJXURMTQP-IUCAKERBSA-N 2 1 285.348 -1.773 20 0 CAADMP C[C@@H](C[N@H+](C)CC(=O)NC(N)=O)NC(=O)CC[NH+](C)C ZINC001498395222 893675716 /nfs/dbraw/zinc/67/57/16/893675716.db2.gz OHOHKZOPNGBRRX-VIFPVBQESA-N 2 1 287.364 -1.431 20 0 CAADMP C[C@@H](C[N@@H+](C)CC(=O)NC(N)=O)NC(=O)CC[NH+](C)C ZINC001498395222 893675730 /nfs/dbraw/zinc/67/57/30/893675730.db2.gz OHOHKZOPNGBRRX-VIFPVBQESA-N 2 1 287.364 -1.431 20 0 CAADMP C[N@H+]1CC[C@@H](C(=O)N[C@@H](C[NH2+]CC(N)=O)C2CC2)C1 ZINC001498860597 893693648 /nfs/dbraw/zinc/69/36/48/893693648.db2.gz AKYUKXCSFWRJHH-MNOVXSKESA-N 2 1 268.361 -1.092 20 0 CAADMP C[N@H+]1CC[C@@H](C(=O)N[C@H](C[NH2+]CC(N)=O)C2CC2)C1 ZINC001498860590 893694134 /nfs/dbraw/zinc/69/41/34/893694134.db2.gz AKYUKXCSFWRJHH-GHMZBOCLSA-N 2 1 268.361 -1.092 20 0 CAADMP C[N@@H+]1CCO[C@@H](C(=O)NCC2([NH2+]CCCO)CC2)C1 ZINC001499188946 893710153 /nfs/dbraw/zinc/71/01/53/893710153.db2.gz HKJWVUMEOIKETG-LLVKDONJSA-N 2 1 271.361 -1.062 20 0 CAADMP C[N@H+]1CCO[C@@H](C(=O)NCC2([NH2+]CCCO)CC2)C1 ZINC001499188946 893710167 /nfs/dbraw/zinc/71/01/67/893710167.db2.gz HKJWVUMEOIKETG-LLVKDONJSA-N 2 1 271.361 -1.062 20 0 CAADMP C[N@@H+]1CCO[C@H](C(=O)NCC2([NH2+]CCCO)CC2)C1 ZINC001499188947 893711338 /nfs/dbraw/zinc/71/13/38/893711338.db2.gz HKJWVUMEOIKETG-NSHDSACASA-N 2 1 271.361 -1.062 20 0 CAADMP C[N@H+]1CCO[C@H](C(=O)NCC2([NH2+]CCCO)CC2)C1 ZINC001499188947 893711351 /nfs/dbraw/zinc/71/13/51/893711351.db2.gz HKJWVUMEOIKETG-NSHDSACASA-N 2 1 271.361 -1.062 20 0 CAADMP C[N@H+]1CC[C@@H](CC(=O)NC[C@]2(O)CC[NH+](CCO)C2)C1 ZINC001500751663 893750974 /nfs/dbraw/zinc/75/09/74/893750974.db2.gz ZBABAKMZILISJM-GXTWGEPZSA-N 2 1 285.388 -1.127 20 0 CAADMP C[NH+]1CC[C@@H](CC(=O)NC[C@]2(O)CC[N@H+](CCO)C2)C1 ZINC001500751663 893750985 /nfs/dbraw/zinc/75/09/85/893750985.db2.gz ZBABAKMZILISJM-GXTWGEPZSA-N 2 1 285.388 -1.127 20 0 CAADMP C[NH+]1CC[C@@H](CC(=O)NC[C@]2(O)CC[N@@H+](CCO)C2)C1 ZINC001500751663 893750997 /nfs/dbraw/zinc/75/09/97/893750997.db2.gz ZBABAKMZILISJM-GXTWGEPZSA-N 2 1 285.388 -1.127 20 0 CAADMP C[N@H+]1CC[C@@H](CC(=O)NC[C@@]2(O)CC[NH+](CCO)C2)C1 ZINC001500751664 893752326 /nfs/dbraw/zinc/75/23/26/893752326.db2.gz ZBABAKMZILISJM-JSGCOSHPSA-N 2 1 285.388 -1.127 20 0 CAADMP C[NH+]1CC[C@@H](CC(=O)NC[C@@]2(O)CC[N@H+](CCO)C2)C1 ZINC001500751664 893752335 /nfs/dbraw/zinc/75/23/35/893752335.db2.gz ZBABAKMZILISJM-JSGCOSHPSA-N 2 1 285.388 -1.127 20 0 CAADMP C[NH+]1CC[C@@H](CC(=O)NC[C@@]2(O)CC[N@@H+](CCO)C2)C1 ZINC001500751664 893752339 /nfs/dbraw/zinc/75/23/39/893752339.db2.gz ZBABAKMZILISJM-JSGCOSHPSA-N 2 1 285.388 -1.127 20 0 CAADMP C[NH+](C)CC1(C(=O)NC[C@@]2(O)CC[N@@H+](CCO)C2)CC1 ZINC001500718811 893753513 /nfs/dbraw/zinc/75/35/13/893753513.db2.gz ZCWZOFUKOPUFJT-AWEZNQCLSA-N 2 1 285.388 -1.127 20 0 CAADMP CC(C)[N@@H+](C)CC(=O)NC[C@@]1(O)CC[NH+](CCO)C1 ZINC001500765449 893756501 /nfs/dbraw/zinc/75/65/01/893756501.db2.gz ADUOAXSUXXVMPQ-ZDUSSCGKSA-N 2 1 273.377 -1.128 20 0 CAADMP CC(C)[NH+](C)CC(=O)NC[C@@]1(O)CC[N@H+](CCO)C1 ZINC001500765449 893756510 /nfs/dbraw/zinc/75/65/10/893756510.db2.gz ADUOAXSUXXVMPQ-ZDUSSCGKSA-N 2 1 273.377 -1.128 20 0 CAADMP CC(C)[NH+](C)CC(=O)NC[C@@]1(O)CC[N@@H+](CCO)C1 ZINC001500765449 893756519 /nfs/dbraw/zinc/75/65/19/893756519.db2.gz ADUOAXSUXXVMPQ-ZDUSSCGKSA-N 2 1 273.377 -1.128 20 0 CAADMP C[NH+](C)CCC(=O)N[C@]1(CO)CCC[N@@H+](CCO)C1 ZINC001501346210 893784564 /nfs/dbraw/zinc/78/45/64/893784564.db2.gz ZAISJYJYPRJQTB-CYBMUJFWSA-N 2 1 273.377 -1.127 20 0 CAADMP C[N@H+]1CC[C@H](CC(=O)N(CCO)CC[NH2+]CC(N)=O)C1 ZINC001501506182 893811452 /nfs/dbraw/zinc/81/14/52/893811452.db2.gz ONQOBCCMHAMNDX-LLVKDONJSA-N 2 1 286.376 -1.776 20 0 CAADMP C[N@@H+]1CCO[C@@H](C(=O)N2CC[C@H](CC[NH2+]CC(N)=O)C2)C1 ZINC001501552256 893816055 /nfs/dbraw/zinc/81/60/55/893816055.db2.gz PLKHQROAOVYOAZ-NWDGAFQWSA-N 2 1 298.387 -1.370 20 0 CAADMP C[N@H+]1CCO[C@@H](C(=O)N2CC[C@H](CC[NH2+]CC(N)=O)C2)C1 ZINC001501552256 893816073 /nfs/dbraw/zinc/81/60/73/893816073.db2.gz PLKHQROAOVYOAZ-NWDGAFQWSA-N 2 1 298.387 -1.370 20 0 CAADMP C[N@@H+]1CCO[C@H](C(=O)N2CC[C@@H](CC[NH2+]CC(N)=O)C2)C1 ZINC001501552255 893817387 /nfs/dbraw/zinc/81/73/87/893817387.db2.gz PLKHQROAOVYOAZ-NEPJUHHUSA-N 2 1 298.387 -1.370 20 0 CAADMP C[N@H+]1CCO[C@H](C(=O)N2CC[C@@H](CC[NH2+]CC(N)=O)C2)C1 ZINC001501552255 893817403 /nfs/dbraw/zinc/81/74/03/893817403.db2.gz PLKHQROAOVYOAZ-NEPJUHHUSA-N 2 1 298.387 -1.370 20 0 CAADMP C[N@H+]1CCC[C@H]1C(=O)NC1(C[NH2+]CC(N)=O)CCOCC1 ZINC001502615983 893853560 /nfs/dbraw/zinc/85/35/60/893853560.db2.gz IVAIUXDFQHQIKE-NSHDSACASA-N 2 1 298.387 -1.179 20 0 CAADMP C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH+](C)CC(=O)NC(N)=O ZINC001506057341 893917718 /nfs/dbraw/zinc/91/77/18/893917718.db2.gz ZZIUXPLXHYRSAR-VHSXEESVSA-N 2 1 299.375 -1.431 20 0 CAADMP C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)[NH+](C)CC(=O)NC(N)=O ZINC001506057341 893917731 /nfs/dbraw/zinc/91/77/31/893917731.db2.gz ZZIUXPLXHYRSAR-VHSXEESVSA-N 2 1 299.375 -1.431 20 0 CAADMP C[C@@H](CNC(=O)[C@@H]1CC[NH+](C)C1)[N@H+](C)CC(=O)NC(N)=O ZINC001506057341 893917739 /nfs/dbraw/zinc/91/77/39/893917739.db2.gz ZZIUXPLXHYRSAR-VHSXEESVSA-N 2 1 299.375 -1.431 20 0 CAADMP C[C@@H](CNC(=O)[C@@H]1CC[NH+](C)C1)[N@@H+](C)CC(=O)NC(N)=O ZINC001506057341 893917752 /nfs/dbraw/zinc/91/77/52/893917752.db2.gz ZZIUXPLXHYRSAR-VHSXEESVSA-N 2 1 299.375 -1.431 20 0 CAADMP CN(C)C(=O)C[NH2+][C@H](CO)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001507260778 894026853 /nfs/dbraw/zinc/02/68/53/894026853.db2.gz NPKHIUOPZCYGRK-QWRGUYRKSA-N 2 1 286.376 -1.907 20 0 CAADMP CN(C)C(=O)C[NH2+][C@@H](CO)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001507260775 894028346 /nfs/dbraw/zinc/02/83/46/894028346.db2.gz NPKHIUOPZCYGRK-GHMZBOCLSA-N 2 1 286.376 -1.907 20 0 CAADMP C[N@H+]1CC[C@@H](C(=O)NC[C@H](CO)[NH2+]CCCO)C1 ZINC001507261748 894031733 /nfs/dbraw/zinc/03/17/33/894031733.db2.gz UNIZEGTUWJMSBO-GHMZBOCLSA-N 2 1 259.350 -1.613 20 0 CAADMP C[N@H+]1CC[C@@H](C(=O)NC[C@H](CO)[NH2+]CC(=O)N2CCC2)C1 ZINC001507262137 894032345 /nfs/dbraw/zinc/03/23/45/894032345.db2.gz VOXHWZNUIPCAAH-VXGBXAGGSA-N 2 1 298.387 -1.763 20 0 CAADMP C[N@H+]1CC[C@@H](C(=O)NC[C@@H](CO)[NH2+]CC(=O)N2CCC2)C1 ZINC001507262120 894035036 /nfs/dbraw/zinc/03/50/36/894035036.db2.gz VOXHWZNUIPCAAH-NEPJUHHUSA-N 2 1 298.387 -1.763 20 0 CAADMP C[N@H+]1CC[C@H](C(=O)NC[C@@H](CO)[NH2+]CCCO)C1 ZINC001507261750 894035580 /nfs/dbraw/zinc/03/55/80/894035580.db2.gz UNIZEGTUWJMSBO-QWRGUYRKSA-N 2 1 259.350 -1.613 20 0 CAADMP CNC(=O)C[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001507469766 894051711 /nfs/dbraw/zinc/05/17/11/894051711.db2.gz BUHNXBMYGACHBR-QWRGUYRKSA-N 2 1 286.376 -1.765 20 0 CAADMP COCC[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001507560751 894066199 /nfs/dbraw/zinc/06/61/99/894066199.db2.gz APDVYJAOIVAVJY-NEPJUHHUSA-N 2 1 273.377 -1.007 20 0 CAADMP C[C@H](NC(=O)[C@H]1C[NH2+]CCN1C)[C@H]1C[N@@H+](C)CCN1C ZINC001515355951 894185683 /nfs/dbraw/zinc/18/56/83/894185683.db2.gz AALIYUVOLSSJJG-YNEHKIRRSA-N 2 1 283.420 -1.360 20 0 CAADMP C[C@H](NC(=O)[C@@H]1C[NH2+]CCN1C)[C@H]1C[N@@H+](C)CCN1C ZINC001515355944 894186068 /nfs/dbraw/zinc/18/60/68/894186068.db2.gz AALIYUVOLSSJJG-RWMBFGLXSA-N 2 1 283.420 -1.360 20 0 CAADMP C[C@H](NC(=O)[C@H]1C[NH2+]CCN1C)[C@@H]1C[N@@H+](C)CCN1C ZINC001515355946 894186719 /nfs/dbraw/zinc/18/67/19/894186719.db2.gz AALIYUVOLSSJJG-XQQFMLRXSA-N 2 1 283.420 -1.360 20 0 CAADMP CC(C)(O)[C@H]([NH3+])C(=O)NCCC[NH+]1CCOCC1 ZINC001521408601 894206312 /nfs/dbraw/zinc/20/63/12/894206312.db2.gz MXOSTVOMRAWSBX-SNVBAGLBSA-N 2 1 259.350 -1.077 20 0 CAADMP CN1CCN(C(=O)CNCC[NH3+])CC[N@@H+](C)CC1 ZINC001523482195 894267711 /nfs/dbraw/zinc/26/77/11/894267711.db2.gz KXZBZIBEDUDEGJ-UHFFFAOYSA-N 2 1 257.382 -1.760 20 0 CAADMP COCC[NH2+]CC(=O)N[C@H](C)[C@@H]1C[N@@H+](C)CCN1C ZINC001524029464 894271324 /nfs/dbraw/zinc/27/13/24/894271324.db2.gz NLIZASCNXANLMH-NEPJUHHUSA-N 2 1 272.393 -1.027 20 0 CAADMP COCC[NH2+]CC(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCN1C ZINC001524029474 894276657 /nfs/dbraw/zinc/27/66/57/894276657.db2.gz NLIZASCNXANLMH-NWDGAFQWSA-N 2 1 272.393 -1.027 20 0 CAADMP COCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2C[NH2+]CCN2C)C1 ZINC001548554449 894486660 /nfs/dbraw/zinc/48/66/60/894486660.db2.gz UKNIAKRWJMKMBG-NEPJUHHUSA-N 2 1 270.377 -1.273 20 0 CAADMP CC1(C)CN(C(=O)[C@@H]2COCC[NH2+]2)CC2(C[NH2+]C2)O1 ZINC001548576297 894489690 /nfs/dbraw/zinc/48/96/90/894489690.db2.gz SVACKWGWCAHQED-JTQLQIEISA-N 2 1 269.345 -1.046 20 0 CAADMP C[C@@H]1CN2CCN1C[C@@H]2C(=O)N1CCN(CCO)C[C@H]1C ZINC001548716167 894497013 /nfs/dbraw/zinc/49/70/13/894497013.db2.gz IEXHKZVULJROKR-MGPQQGTHSA-N 2 1 296.415 -1.100 20 0 CAADMP C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC001548726883 894497106 /nfs/dbraw/zinc/49/71/06/894497106.db2.gz OLDGGXWSWBTPDH-XJFOESAGSA-N 2 1 294.399 -1.348 20 0 CAADMP C[C@@H]1CN2CC[NH+]1C[C@@H]2C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC001548726883 894497114 /nfs/dbraw/zinc/49/71/14/894497114.db2.gz OLDGGXWSWBTPDH-XJFOESAGSA-N 2 1 294.399 -1.348 20 0 CAADMP C[C@@H]1CN2CCN1C[C@H]2C(=O)N1CCN(CCO)C[C@H]1C ZINC001548716164 894497567 /nfs/dbraw/zinc/49/75/67/894497567.db2.gz IEXHKZVULJROKR-MCIONIFRSA-N 2 1 296.415 -1.100 20 0 CAADMP C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N1CC(N2CC[C@@H](O)C2)C1 ZINC001548725143 894499343 /nfs/dbraw/zinc/49/93/43/894499343.db2.gz OLOXLMAJKOLYLA-MRVWCRGKSA-N 2 1 294.399 -1.348 20 0 CAADMP C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)N1CC([NH+]2CC[C@@H](O)C2)C1 ZINC001548725143 894499349 /nfs/dbraw/zinc/49/93/49/894499349.db2.gz OLOXLMAJKOLYLA-MRVWCRGKSA-N 2 1 294.399 -1.348 20 0 CAADMP C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N1CC([NH+]2CC[C@@H](O)C2)C1 ZINC001548725143 894499350 /nfs/dbraw/zinc/49/93/50/894499350.db2.gz OLOXLMAJKOLYLA-MRVWCRGKSA-N 2 1 294.399 -1.348 20 0 CAADMP C[C@@H]1CN2CC[NH+]1C[C@@H]2C(=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC001548725143 894499355 /nfs/dbraw/zinc/49/93/55/894499355.db2.gz OLOXLMAJKOLYLA-MRVWCRGKSA-N 2 1 294.399 -1.348 20 0 CAADMP C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC001548726882 894499653 /nfs/dbraw/zinc/49/96/53/894499653.db2.gz OLDGGXWSWBTPDH-RQJABVFESA-N 2 1 294.399 -1.348 20 0 CAADMP C[C@@H]1CN2CC[NH+]1C[C@H]2C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC001548726882 894499657 /nfs/dbraw/zinc/49/96/57/894499657.db2.gz OLDGGXWSWBTPDH-RQJABVFESA-N 2 1 294.399 -1.348 20 0 CAADMP C[C@@H]1CN2CCN1C[C@H]2C(=O)N1CCN(C)C[C@H]1CO ZINC001548730982 894499761 /nfs/dbraw/zinc/49/97/61/894499761.db2.gz UBVBOOMILAAXEV-AGIUHOORSA-N 2 1 282.388 -1.490 20 0 CAADMP C[NH+](C)C[C@]1(O)CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001548748668 894502178 /nfs/dbraw/zinc/50/21/78/894502178.db2.gz XSQVDKFBDXSGKR-WCQYABFASA-N 2 1 271.361 -1.158 20 0 CAADMP C[NH+](C)C[C@]1(O)CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001548748668 894502197 /nfs/dbraw/zinc/50/21/97/894502197.db2.gz XSQVDKFBDXSGKR-WCQYABFASA-N 2 1 271.361 -1.158 20 0 CAADMP C[C@H]1CN2CC[N@H+]1C[C@H]2C(=O)NCC[NH+]1CC[C@@H](O)C1 ZINC001548733282 894503178 /nfs/dbraw/zinc/50/31/78/894503178.db2.gz BRYAXHQTMCCCLD-XQQFMLRXSA-N 2 1 282.388 -1.443 20 0 CAADMP C[C@H]1CN2CC[NH+]1C[C@H]2C(=O)NCC[N@@H+]1CC[C@@H](O)C1 ZINC001548733282 894503182 /nfs/dbraw/zinc/50/31/82/894503182.db2.gz BRYAXHQTMCCCLD-XQQFMLRXSA-N 2 1 282.388 -1.443 20 0 CAADMP C[C@H]1CN2CC[NH+]1C[C@H]2C(=O)NCC[N@H+]1CC[C@@H](O)C1 ZINC001548733282 894503191 /nfs/dbraw/zinc/50/31/91/894503191.db2.gz BRYAXHQTMCCCLD-XQQFMLRXSA-N 2 1 282.388 -1.443 20 0 CAADMP C[C@@H]1OCC[NH2+][C@@H]1C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC001549046361 894507323 /nfs/dbraw/zinc/50/73/23/894507323.db2.gz RLJZROKFJBZORU-AXFHLTTASA-N 2 1 257.334 -1.142 20 0 CAADMP O=C([C@@H]1COCC[NH2+]1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC001549044584 894507523 /nfs/dbraw/zinc/50/75/23/894507523.db2.gz YOUFNCXATHLXPB-RYUDHWBXSA-N 2 1 268.361 -1.519 20 0 CAADMP O=C([C@@H]1COCC[NH2+]1)N1CC[C@H]2OCC[NH2+][C@@H]2C1 ZINC001549045159 894507786 /nfs/dbraw/zinc/50/77/86/894507786.db2.gz ZCPGNAPIFDJCMK-OUAUKWLOSA-N 2 1 255.318 -1.436 20 0 CAADMP C[C@@H]1OCC[NH2+][C@H]1C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC001549046363 894507952 /nfs/dbraw/zinc/50/79/52/894507952.db2.gz RLJZROKFJBZORU-GARJFASQSA-N 2 1 257.334 -1.142 20 0 CAADMP C[C@@H]1OCC[NH2+][C@H]1C(=O)N1CCCO[C@H](C[NH3+])C1 ZINC001549048191 894510136 /nfs/dbraw/zinc/51/01/36/894510136.db2.gz BCDFWICPNNFHAB-HBNTYKKESA-N 2 1 257.334 -1.061 20 0 CAADMP Cn1cc([C@@H]2CN(C(=O)[C@H]3COCC[NH2+]3)C[C@H]2[NH3+])cn1 ZINC001549049674 894510951 /nfs/dbraw/zinc/51/09/51/894510951.db2.gz GJXAAOXLGAYAEC-QJPTWQEYSA-N 2 1 279.344 -1.338 20 0 CAADMP O=C(NC[C@@H]1C[NH2+]CCCO1)N1CC[N@H+]2C[C@@H](O)C[C@@H]2C1 ZINC001549176891 894511691 /nfs/dbraw/zinc/51/16/91/894511691.db2.gz ZVXDOYLTNAERTL-AGIUHOORSA-N 2 1 298.387 -1.175 20 0 CAADMP C[C@@H]1OCC[NH2+][C@H]1C(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC001549048190 894511808 /nfs/dbraw/zinc/51/18/08/894511808.db2.gz BCDFWICPNNFHAB-GARJFASQSA-N 2 1 257.334 -1.061 20 0 CAADMP [NH3+]Cc1cn([C@H]2CCCN(C(=O)[C@H]3COCC[NH2+]3)C2)nn1 ZINC001549047560 894512155 /nfs/dbraw/zinc/51/21/55/894512155.db2.gz SSRZCRCEQYHAOD-NWDGAFQWSA-N 2 1 294.359 -1.111 20 0 CAADMP Cn1cc([C@@H]2CN(C(=O)[C@@H]3COCC[NH2+]3)C[C@H]2[NH3+])cn1 ZINC001549049677 894512420 /nfs/dbraw/zinc/51/24/20/894512420.db2.gz GJXAAOXLGAYAEC-TUAOUCFPSA-N 2 1 279.344 -1.338 20 0 CAADMP O=C(NC[C@@H]1C[NH2+]CCCO1)N1CC[N@H+]2C[C@H](O)C[C@@H]2C1 ZINC001549176899 894515508 /nfs/dbraw/zinc/51/55/08/894515508.db2.gz ZVXDOYLTNAERTL-UPJWGTAASA-N 2 1 298.387 -1.175 20 0 CAADMP Cn1cnc([C@@H]2CN(C(=O)[C@@H]3COCC[NH2+]3)C[C@H]2[NH3+])c1 ZINC001549733980 894522583 /nfs/dbraw/zinc/52/25/83/894522583.db2.gz CSRDFXAFBLYXHX-FOGDFJRCSA-N 2 1 279.344 -1.338 20 0 CAADMP O=C(NCc1cnn2c1C[NH2+]CC2)[C@@]12C[NH2+]C[C@H]1COC2 ZINC001549720993 894522737 /nfs/dbraw/zinc/52/27/37/894522737.db2.gz JECJVQAEXRUAIZ-SMDDNHRTSA-N 2 1 291.355 -1.162 20 0 CAADMP Cn1cnc([C@@H]2CN(C(=O)[C@@H]3COCC[NH2+]3)C[C@@H]2[NH3+])c1 ZINC001549733987 894523524 /nfs/dbraw/zinc/52/35/24/894523524.db2.gz CSRDFXAFBLYXHX-SCVCMEIPSA-N 2 1 279.344 -1.338 20 0 CAADMP Cn1cnc([C@@H]2CN(C(=O)[C@H]3COCC[NH2+]3)C[C@@H]2[NH3+])c1 ZINC001549733985 894523535 /nfs/dbraw/zinc/52/35/35/894523535.db2.gz CSRDFXAFBLYXHX-JFGNBEQYSA-N 2 1 279.344 -1.338 20 0 CAADMP C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]([NH3+])CC(N)=O)CC[C@@H]21 ZINC001550104241 894529417 /nfs/dbraw/zinc/52/94/17/894529417.db2.gz JFNWOCXPFBCREN-UTLUCORTSA-N 2 1 254.334 -1.258 20 0 CAADMP C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]([NH3+])CC(N)=O)CC[C@@H]21 ZINC001550104241 894529430 /nfs/dbraw/zinc/52/94/30/894529430.db2.gz JFNWOCXPFBCREN-UTLUCORTSA-N 2 1 254.334 -1.258 20 0 CAADMP C[C@@H]1OCC[NH2+][C@H]1C(=O)N1CC[C@H](n2cc(C[NH3+])nn2)C1 ZINC001550096580 894529783 /nfs/dbraw/zinc/52/97/83/894529783.db2.gz LPWOMWIWOMHQRZ-ZMLRMANQSA-N 2 1 294.359 -1.113 20 0 CAADMP C[C@@H]1OCC[NH2+][C@H]1C(=O)NCc1cn([C@@H]2CC[NH2+]C2)nn1 ZINC001550087387 894529815 /nfs/dbraw/zinc/52/98/15/894529815.db2.gz RRORUSDOHWCERU-MVWJERBFSA-N 2 1 294.359 -1.194 20 0 CAADMP CO[C@H](C[NH3+])C(=O)N1CC[NH2+]C[C@H]1c1nccn1C ZINC001550184152 894532691 /nfs/dbraw/zinc/53/26/91/894532691.db2.gz MVZVSFUFVQZALO-VHSXEESVSA-N 2 1 267.333 -1.133 20 0 CAADMP C[N@@H+]1CC[C@H]2C[NH+](CC(=O)N3CCNC(=O)C3)C[C@@H]2C1 ZINC001550540037 894536543 /nfs/dbraw/zinc/53/65/43/894536543.db2.gz UQBWCIJGCUFRTN-RYUDHWBXSA-N 2 1 280.372 -1.172 20 0 CAADMP C[N@H+]1CC[C@H]2C[NH+](CC(=O)N3CCNC(=O)C3)C[C@@H]2C1 ZINC001550540037 894536554 /nfs/dbraw/zinc/53/65/54/894536554.db2.gz UQBWCIJGCUFRTN-RYUDHWBXSA-N 2 1 280.372 -1.172 20 0 CAADMP C[NH+]1CC[C@H]2C[N@H+](CC(=O)N3CCNC(=O)C3)C[C@@H]2C1 ZINC001550540037 894536560 /nfs/dbraw/zinc/53/65/60/894536560.db2.gz UQBWCIJGCUFRTN-RYUDHWBXSA-N 2 1 280.372 -1.172 20 0 CAADMP C[NH+]1CC[C@H]2C[N@@H+](CC(=O)N3CCNC(=O)C3)C[C@@H]2C1 ZINC001550540037 894536572 /nfs/dbraw/zinc/53/65/72/894536572.db2.gz UQBWCIJGCUFRTN-RYUDHWBXSA-N 2 1 280.372 -1.172 20 0 CAADMP O=C(NCC12CC(C1)C[NH2+]2)N1CC[C@@H]2[NH2+]CC(=O)N[C@H]2C1 ZINC001550739607 894537342 /nfs/dbraw/zinc/53/73/42/894537342.db2.gz CIWMDRCZKATDGZ-JXJNQWLDSA-N 2 1 293.371 -1.390 20 0 CAADMP C[N@@H+]1CC[C@H]2C[NH+](CC(=O)N3CCNC(=O)C3)C[C@H]2C1 ZINC001550540036 894537413 /nfs/dbraw/zinc/53/74/13/894537413.db2.gz UQBWCIJGCUFRTN-NWDGAFQWSA-N 2 1 280.372 -1.172 20 0 CAADMP C[N@H+]1CC[C@H]2C[NH+](CC(=O)N3CCNC(=O)C3)C[C@H]2C1 ZINC001550540036 894537424 /nfs/dbraw/zinc/53/74/24/894537424.db2.gz UQBWCIJGCUFRTN-NWDGAFQWSA-N 2 1 280.372 -1.172 20 0 CAADMP C[NH+]1CC[C@H]2C[N@H+](CC(=O)N3CCNC(=O)C3)C[C@H]2C1 ZINC001550540036 894537433 /nfs/dbraw/zinc/53/74/33/894537433.db2.gz UQBWCIJGCUFRTN-NWDGAFQWSA-N 2 1 280.372 -1.172 20 0 CAADMP C[NH+]1CC[C@H]2C[N@@H+](CC(=O)N3CCNC(=O)C3)C[C@H]2C1 ZINC001550540036 894537440 /nfs/dbraw/zinc/53/74/40/894537440.db2.gz UQBWCIJGCUFRTN-NWDGAFQWSA-N 2 1 280.372 -1.172 20 0 CAADMP CNC(=O)[C@@]12C[N@H+]([C@@H]3C[C@@H]([NH3+])C[C@H]3O)C[C@H]1COCC2 ZINC001551405347 894537790 /nfs/dbraw/zinc/53/77/90/894537790.db2.gz ARJXUTZTKXDHKP-KSFQGOMNSA-N 2 1 283.372 -1.079 20 0 CAADMP N[C@H]1CN(C(=O)N[C@]23CCC[C@H]2[NH2+]CC3)C[C@H]1[NH3+] ZINC001552961195 894557214 /nfs/dbraw/zinc/55/72/14/894557214.db2.gz ULUWXOCDKIQQNR-KLBPJQLPSA-N 2 1 253.350 -1.049 20 0 CAADMP N[C@H]1CN(C(=O)N[C@]23CCC[C@@H]2[NH2+]CC3)C[C@H]1[NH3+] ZINC001552961197 894557776 /nfs/dbraw/zinc/55/77/76/894557776.db2.gz ULUWXOCDKIQQNR-WYFGTUCQSA-N 2 1 253.350 -1.049 20 0 CAADMP C[N@H+]1CC[C@]2(C(=O)NCCN3CC[NH2+]CC3)C[NH2+]C[C@@H]2C1 ZINC001553355810 894559203 /nfs/dbraw/zinc/55/92/03/894559203.db2.gz VYBPBIFADAXDDV-HIFRSBDPSA-N 3 1 295.431 -1.451 20 0 CAADMP CN1CC[C@]2(C(=O)NCCN3CC[NH2+]CC3)C[NH2+]C[C@@H]2C1 ZINC001553355810 894559217 /nfs/dbraw/zinc/55/92/17/894559217.db2.gz VYBPBIFADAXDDV-HIFRSBDPSA-N 2 1 295.431 -1.451 20 0 CAADMP CN(C)C(=O)CNC(=O)[C@@]12C[NH2+]C[C@@H]1C[N@@H+](C)CC2 ZINC001553377840 894559402 /nfs/dbraw/zinc/55/94/02/894559402.db2.gz YBSGWJJEADKUFG-MFKMUULPSA-N 2 1 268.361 -1.268 20 0 CAADMP CNC(=O)CNC(=O)[C@@]12C[NH2+]C[C@@H]1C[N@@H+](C)CC2 ZINC001553398921 894560232 /nfs/dbraw/zinc/56/02/32/894560232.db2.gz CODIRKQPRLCXOX-SKDRFNHKSA-N 2 1 254.334 -1.610 20 0 CAADMP [NH3+][C@@H]1C[C@@H]2C[N@@H+](C[C@H]3C[C@]4(CC[NH2+]C4)CO3)CCN2C1=O ZINC001553304917 894561603 /nfs/dbraw/zinc/56/16/03/894561603.db2.gz PABKHVZTTVURHU-BHPKHCPMSA-N 3 1 294.399 -1.001 20 0 CAADMP [NH3+][C@@H]1C[C@@H]2CN(C[C@H]3C[C@]4(CC[NH2+]C4)CO3)CCN2C1=O ZINC001553304917 894561610 /nfs/dbraw/zinc/56/16/10/894561610.db2.gz PABKHVZTTVURHU-BHPKHCPMSA-N 2 1 294.399 -1.001 20 0 CAADMP CC(=O)NCCNC(=O)[C@@]12C[NH2+]C[C@H]1C[N@@H+](C)CC2 ZINC001553368745 894561643 /nfs/dbraw/zinc/56/16/43/894561643.db2.gz MYIUMYFMQICERO-AAEUAGOBSA-N 2 1 268.361 -1.220 20 0 CAADMP CNC(=O)CNC(=O)[C@@]12C[NH2+]C[C@H]1C[N@@H+](C)CC2 ZINC001553398919 894561766 /nfs/dbraw/zinc/56/17/66/894561766.db2.gz CODIRKQPRLCXOX-CABZTGNLSA-N 2 1 254.334 -1.610 20 0 CAADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)[C@@H]1C[C@@H]2OCC[C@@H]2[NH2+]1 ZINC001553410703 894563817 /nfs/dbraw/zinc/56/38/17/894563817.db2.gz PDXJAETUOLGYAY-VOAKCMCISA-N 2 1 282.388 -1.132 20 0 CAADMP O=C([C@@H]1C[C@@H]2OCC[C@@H]2[NH2+]1)N1CC[C@H]2[NH2+]CC(=O)N[C@@H]2C1 ZINC001553428591 894564946 /nfs/dbraw/zinc/56/49/46/894564946.db2.gz MSYMOIUFGACFLD-IIRVCBMXSA-N 2 1 294.355 -1.805 20 0 CAADMP N[C@H]1CN(C(=O)N[C@]23CCC[C@@H]2C[NH2+]C3)C[C@H]1[NH3+] ZINC001553529192 894568449 /nfs/dbraw/zinc/56/84/49/894568449.db2.gz PNBXDRQRSMIHSS-SVDPJWKOSA-N 2 1 253.350 -1.192 20 0 CAADMP CN1CC[N@@H+](C)CC(C(=O)N[C@H]2C[NH+](C)C[C@H]2O)C1 ZINC001553647654 894568535 /nfs/dbraw/zinc/56/85/35/894568535.db2.gz HDBRWJAMVTUHKQ-NWDGAFQWSA-N 2 1 270.377 -1.729 20 0 CAADMP CN1CC[NH+](C)CC(C(=O)N[C@H]2C[N@H+](C)C[C@H]2O)C1 ZINC001553647654 894568538 /nfs/dbraw/zinc/56/85/38/894568538.db2.gz HDBRWJAMVTUHKQ-NWDGAFQWSA-N 2 1 270.377 -1.729 20 0 CAADMP CN1CC[NH+](C)CC(C(=O)N[C@H]2C[N@@H+](C)C[C@H]2O)C1 ZINC001553647654 894568545 /nfs/dbraw/zinc/56/85/45/894568545.db2.gz HDBRWJAMVTUHKQ-NWDGAFQWSA-N 2 1 270.377 -1.729 20 0 CAADMP CN1CC[N@@H+](C)CC(C(=O)N[C@@H]2C[NH+](C)C[C@@H]2O)C1 ZINC001553647653 894568701 /nfs/dbraw/zinc/56/87/01/894568701.db2.gz HDBRWJAMVTUHKQ-NEPJUHHUSA-N 2 1 270.377 -1.729 20 0 CAADMP CN1CC[NH+](C)CC(C(=O)N[C@@H]2C[N@H+](C)C[C@@H]2O)C1 ZINC001553647653 894568711 /nfs/dbraw/zinc/56/87/11/894568711.db2.gz HDBRWJAMVTUHKQ-NEPJUHHUSA-N 2 1 270.377 -1.729 20 0 CAADMP CN1CC[NH+](C)CC(C(=O)N[C@@H]2C[N@@H+](C)C[C@@H]2O)C1 ZINC001553647653 894568724 /nfs/dbraw/zinc/56/87/24/894568724.db2.gz HDBRWJAMVTUHKQ-NEPJUHHUSA-N 2 1 270.377 -1.729 20 0 CAADMP O=C(C[C@H]1C[NH2+]CCO1)N1CC[NH+](CCO)CC1 ZINC000091299377 230164901 /nfs/dbraw/zinc/16/49/01/230164901.db2.gz BPEQYKOVVZNCSM-NSHDSACASA-N 2 1 257.334 -1.499 20 0 CAADMP COCCC[N@@H+](C)CCNC(=O)C(=O)N1CC[NH2+]CC1 ZINC000419448396 230254429 /nfs/dbraw/zinc/25/44/29/230254429.db2.gz IKJDGFSPZUDUCC-UHFFFAOYSA-N 2 1 286.376 -1.497 20 0 CAADMP C[C@H]1OCC[NH2+][C@@H]1C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000424193899 230282271 /nfs/dbraw/zinc/28/22/71/230282271.db2.gz RLJZROKFJBZORU-VWYCJHECSA-N 2 1 257.334 -1.142 20 0 CAADMP CN(C)C(=O)CC[NH+]1CCN(C(=O)CC[NH3+])CC1 ZINC000430799193 230309481 /nfs/dbraw/zinc/30/94/81/230309481.db2.gz BBXRCCNDSQOYDH-UHFFFAOYSA-N 2 1 256.350 -1.042 20 0 CAADMP CN(C)C(=O)CC[NH+]1CCN(C(=O)COC2C[NH2+]C2)CC1 ZINC000430794953 230309491 /nfs/dbraw/zinc/30/94/91/230309491.db2.gz SAHXHWDQZMSFKZ-UHFFFAOYSA-N 2 1 298.387 -1.403 20 0 CAADMP NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)[C@@H]1C[NH2+]CCO1 ZINC000430904688 230310290 /nfs/dbraw/zinc/31/02/90/230310290.db2.gz UXAMRMHGVURGTK-QWRGUYRKSA-N 2 1 284.360 -1.569 20 0 CAADMP C[C@H](O)C[N@@H+]1CCN(C(=O)[C@H]2C[C@H](O)C[NH2+]2)C[C@H]1C ZINC000432517793 230315374 /nfs/dbraw/zinc/31/53/74/230315374.db2.gz HNYXOPDKBZOINV-NOOOWODRSA-N 2 1 271.361 -1.377 20 0 CAADMP C[C@H](O)C[N@H+]1CCN(C(=O)[C@H]2C[C@H](O)C[NH2+]2)C[C@H]1C ZINC000432517793 230315378 /nfs/dbraw/zinc/31/53/78/230315378.db2.gz HNYXOPDKBZOINV-NOOOWODRSA-N 2 1 271.361 -1.377 20 0 CAADMP C[NH+]1CCN(c2ncc(C[NH2+]C[C@H](O)CO)cn2)CC1 ZINC000347497680 529778165 /nfs/dbraw/zinc/77/81/65/529778165.db2.gz FIZZRPXHMLETCX-LBPRGKRZSA-N 2 1 281.360 -1.329 20 0 CAADMP CNC(=O)C[NH+]1CCC(NC(=O)[C@@H]2C[C@@H]2[NH3+])CC1 ZINC000424138756 529861988 /nfs/dbraw/zinc/86/19/88/529861988.db2.gz UTIWIVHLMFABHD-ZJUUUORDSA-N 2 1 254.334 -1.340 20 0 CAADMP C[NH2+]CC(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000186637158 529956404 /nfs/dbraw/zinc/95/64/04/529956404.db2.gz RTCYRBKYXYFXLP-JTQLQIEISA-N 2 1 254.334 -1.371 20 0 CAADMP C[NH+]1CCN(C(=O)CC[NH+]2[C@H](CO)CC[C@H]2CO)CC1 ZINC000347294527 530067267 /nfs/dbraw/zinc/06/72/67/530067267.db2.gz DOTCIPKMDNGJIQ-STQMWFEESA-N 2 1 285.388 -1.032 20 0 CAADMP C[NH+]1CCN(C(=O)CCNC(=O)C[C@H]2COCC[NH2+]2)CC1 ZINC000262467667 530067280 /nfs/dbraw/zinc/06/72/80/530067280.db2.gz XYWKSNIRASPPMB-LBPRGKRZSA-N 2 1 298.387 -1.355 20 0 CAADMP C[NH+]1CCN(C(=O)CCNC(=O)[C@@H]2CC[C@H](C[NH3+])O2)CC1 ZINC000261604661 530067543 /nfs/dbraw/zinc/06/75/43/530067543.db2.gz AKDLEOSFLPICTM-NEPJUHHUSA-N 2 1 298.387 -1.227 20 0 CAADMP C[NH+]1CCN(C(=O)CCNC(=O)[C@@H]2C[C@@H]2[NH3+])CC1 ZINC000424132054 530067646 /nfs/dbraw/zinc/06/76/46/530067646.db2.gz KCKAXGSHNCGBFD-ZJUUUORDSA-N 2 1 254.334 -1.386 20 0 CAADMP C[NH+]1CCN(C(=O)CCNC(=O)[C@H]2C[NH2+]CCO2)CC1 ZINC000178700576 530067657 /nfs/dbraw/zinc/06/76/57/530067657.db2.gz BZHPRHJZZBVRKW-LLVKDONJSA-N 2 1 284.360 -1.745 20 0 CAADMP C[C@H](C(=O)N[C@H](CO)C[NH+](C)C)N1CC[NH+](C)CC1 ZINC000673520937 545595569 /nfs/dbraw/zinc/59/55/69/545595569.db2.gz MIJPWNYOUKXUCV-NEPJUHHUSA-N 2 1 272.393 -1.339 20 0 CAADMP O[C@@H]1C[C@H](O)C[NH+](C/C=C\C[N@@H+]2C[C@H](O)C[C@H](O)C2)C1 ZINC000674496742 545598711 /nfs/dbraw/zinc/59/87/11/545598711.db2.gz DFDUAOXDIGMPGT-ZWTHYHLESA-N 2 1 286.372 -1.602 20 0 CAADMP CC(C[NH+]1C[C@H](O)C[C@H](O)C1)C[N@H+]1C[C@H](O)C[C@H](O)C1 ZINC000674497812 545598985 /nfs/dbraw/zinc/59/89/85/545598985.db2.gz LFHWGNDLUWJFDF-KPWCQOOUSA-N 2 1 288.388 -1.523 20 0 CAADMP CC(C[NH+]1C[C@H](O)C[C@H](O)C1)C[N@@H+]1C[C@H](O)C[C@H](O)C1 ZINC000674497812 545598986 /nfs/dbraw/zinc/59/89/86/545598986.db2.gz LFHWGNDLUWJFDF-KPWCQOOUSA-N 2 1 288.388 -1.523 20 0 CAADMP C[N@@H+]1CC[C@](O)(CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC000358060565 283163853 /nfs/dbraw/zinc/16/38/53/283163853.db2.gz FHOFZLBCTYMPLD-JQWIXIFHSA-N 2 1 257.334 -1.500 20 0 CAADMP C[N@H+]1CC[C@](O)(CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC000358060565 283163858 /nfs/dbraw/zinc/16/38/58/283163858.db2.gz FHOFZLBCTYMPLD-JQWIXIFHSA-N 2 1 257.334 -1.500 20 0 CAADMP C[NH+]1CC[C@](O)(CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000358060565 283163860 /nfs/dbraw/zinc/16/38/60/283163860.db2.gz FHOFZLBCTYMPLD-JQWIXIFHSA-N 2 1 257.334 -1.500 20 0 CAADMP C[NH+]1CC[C@](O)(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000358060565 283163863 /nfs/dbraw/zinc/16/38/63/283163863.db2.gz FHOFZLBCTYMPLD-JQWIXIFHSA-N 2 1 257.334 -1.500 20 0 CAADMP C[C@H]1OCC[NH2+][C@@H]1C(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000424187674 291209846 /nfs/dbraw/zinc/20/98/46/291209846.db2.gz BCDFWICPNNFHAB-MXWKQRLJSA-N 2 1 257.334 -1.061 20 0 CAADMP C[NH+](C)CCC(=O)N1CC[C@@H]([N@H+](C)CC(N)=O)C1 ZINC001192162294 781936937 /nfs/dbraw/zinc/93/69/37/781936937.db2.gz NWZUXQWQXPRAME-SNVBAGLBSA-N 2 1 256.350 -1.044 20 0 CAADMP C[NH+](C)CCC(=O)N1CC[C@@H]([N@@H+](C)CC(N)=O)C1 ZINC001192162294 781936942 /nfs/dbraw/zinc/93/69/42/781936942.db2.gz NWZUXQWQXPRAME-SNVBAGLBSA-N 2 1 256.350 -1.044 20 0 CAADMP C[NH+](C)CCC(=O)N1CC[C@H]([N@H+](C)CC(=O)NC(N)=O)C1 ZINC001192159873 781937426 /nfs/dbraw/zinc/93/74/26/781937426.db2.gz AIDYGWGWTYZILZ-JTQLQIEISA-N 2 1 299.375 -1.334 20 0 CAADMP C[NH+](C)CCC(=O)N1CC[C@H]([N@@H+](C)CC(=O)NC(N)=O)C1 ZINC001192159873 781937436 /nfs/dbraw/zinc/93/74/36/781937436.db2.gz AIDYGWGWTYZILZ-JTQLQIEISA-N 2 1 299.375 -1.334 20 0 CAADMP O=C([C@@H]1COCC[NH2+]1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000343629924 296056568 /nfs/dbraw/zinc/05/65/68/296056568.db2.gz SHWHGLAFKBLSDI-RYUDHWBXSA-N 2 1 268.361 -1.519 20 0 CAADMP O=C([C@H]1COCC[NH2+]1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000343629923 296138743 /nfs/dbraw/zinc/13/87/43/296138743.db2.gz SHWHGLAFKBLSDI-NWDGAFQWSA-N 2 1 268.361 -1.519 20 0 CAADMP C[C@H]1C[C@H](NC(=O)C(=O)NC2C[NH2+]C2)C[N@H+]1C1CC1 ZINC000642718075 372807738 /nfs/dbraw/zinc/80/77/38/372807738.db2.gz AQDQRJQRZLTVSS-IUCAKERBSA-N 2 1 266.345 -1.184 20 0 CAADMP COCC[N@@H+](C)CCNC(=O)C(=O)N[C@@H](C)C[C@@H](C)[NH3+] ZINC000584053731 372815021 /nfs/dbraw/zinc/81/50/21/372815021.db2.gz WGIBBGAPPAXSMM-MNOVXSKESA-N 2 1 288.392 -1.077 20 0 CAADMP C[C@H]1OCC[NH2+][C@@H]1C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000565550593 372836498 /nfs/dbraw/zinc/83/64/98/372836498.db2.gz SJZPWKCFJAWDIP-RCWTZXSCSA-N 2 1 282.344 -1.866 20 0 CAADMP COCC[N@@H+](C)C[C@@H](O)CN1CC[NH+](CCO)C[C@@H]1C ZINC000568181077 372839300 /nfs/dbraw/zinc/83/93/00/372839300.db2.gz JUZRRWPTCJCDKB-UONOGXRCSA-N 2 1 289.420 -1.076 20 0 CAADMP COCC[NH+](C)C[C@@H](O)CN1CC[N@H+](CCO)C[C@@H]1C ZINC000568181077 372839307 /nfs/dbraw/zinc/83/93/07/372839307.db2.gz JUZRRWPTCJCDKB-UONOGXRCSA-N 2 1 289.420 -1.076 20 0 CAADMP COCC[NH+](C)C[C@@H](O)CN1CC[N@@H+](CCO)C[C@@H]1C ZINC000568181077 372839311 /nfs/dbraw/zinc/83/93/11/372839311.db2.gz JUZRRWPTCJCDKB-UONOGXRCSA-N 2 1 289.420 -1.076 20 0 CAADMP CC[N@H+]1CC[C@H]2OCCN(c3nc(N)[nH+]c(N)n3)[C@H]2C1 ZINC000624245418 372844266 /nfs/dbraw/zinc/84/42/66/372844266.db2.gz BZPWRCYJJDYWND-DTWKUNHWSA-N 2 1 279.348 -1.004 20 0 CAADMP C[C@@H](C(=O)NC(N)=O)[N@H+](C)CCN1CC[NH2+]CC1 ZINC000071150748 372846382 /nfs/dbraw/zinc/84/63/82/372846382.db2.gz MNPKDDBFYGIYRF-VIFPVBQESA-N 2 1 257.338 -1.593 20 0 CAADMP C[C@@H](C(=O)NC(N)=O)[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000071150748 372846388 /nfs/dbraw/zinc/84/63/88/372846388.db2.gz MNPKDDBFYGIYRF-VIFPVBQESA-N 2 1 257.338 -1.593 20 0 CAADMP CNC(=O)NC(=O)C[N@H+](C)CCN1CC[NH2+]CC1 ZINC000071150541 372847751 /nfs/dbraw/zinc/84/77/51/372847751.db2.gz JCFVQTGVSXBNPD-UHFFFAOYSA-N 2 1 257.338 -1.721 20 0 CAADMP CNC(=O)NC(=O)C[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000071150541 372847759 /nfs/dbraw/zinc/84/77/59/372847759.db2.gz JCFVQTGVSXBNPD-UHFFFAOYSA-N 2 1 257.338 -1.721 20 0 CAADMP [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)[C@@H]2CSC[NH2+]2)C1 ZINC000131752217 372890436 /nfs/dbraw/zinc/89/04/36/372890436.db2.gz LZZYISURDARWHL-ZJUUUORDSA-N 2 1 286.401 -1.038 20 0 CAADMP COC[C@@H](C)NC(=O)NC(=O)C[N@H+](C)CCOCC[NH3+] ZINC000600732692 372892658 /nfs/dbraw/zinc/89/26/58/372892658.db2.gz DCTURKCITCPZOD-SNVBAGLBSA-N 2 1 290.364 -1.246 20 0 CAADMP COC[C@@H](C)NC(=O)NC(=O)C[N@@H+](C)CCOCC[NH3+] ZINC000600732692 372892664 /nfs/dbraw/zinc/89/26/64/372892664.db2.gz DCTURKCITCPZOD-SNVBAGLBSA-N 2 1 290.364 -1.246 20 0 CAADMP CCN(CC[NH3+])C(=O)C(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC000627355962 372895398 /nfs/dbraw/zinc/89/53/98/372895398.db2.gz VAIDSVKSWUMJJT-QWRGUYRKSA-N 2 1 286.376 -1.371 20 0 CAADMP CCN(CC[NH3+])C(=O)C(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCO1 ZINC000627355962 372895401 /nfs/dbraw/zinc/89/54/01/372895401.db2.gz VAIDSVKSWUMJJT-QWRGUYRKSA-N 2 1 286.376 -1.371 20 0 CAADMP CC[N@@H+]1CCO[C@H](C(=O)N2CCO[C@@H](C[NH3+])C2)C1 ZINC000358511105 372910071 /nfs/dbraw/zinc/91/00/71/372910071.db2.gz CYAIOINFMAAAQX-QWRGUYRKSA-N 2 1 257.334 -1.107 20 0 CAADMP CC[N@H+]1CCO[C@H](C(=O)N2CCO[C@@H](C[NH3+])C2)C1 ZINC000358511105 372910077 /nfs/dbraw/zinc/91/00/77/372910077.db2.gz CYAIOINFMAAAQX-QWRGUYRKSA-N 2 1 257.334 -1.107 20 0 CAADMP CN(C)CC(=O)N1CCN([C@@H]2CCN(C)C2=O)CC1 ZINC000116351110 372915362 /nfs/dbraw/zinc/91/53/62/372915362.db2.gz VNVPLVAQQREXCP-LLVKDONJSA-N 2 1 268.361 -1.077 20 0 CAADMP O=C(NC1C[NH2+]C1)C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000562825474 372951785 /nfs/dbraw/zinc/95/17/85/372951785.db2.gz NMEWHOIKTYZEDP-WDEREUQCSA-N 2 1 266.345 -1.183 20 0 CAADMP NC(=O)NC(=O)CC[NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000572714732 372962522 /nfs/dbraw/zinc/96/25/22/372962522.db2.gz WOSWYRHMSVZPHH-JTQLQIEISA-N 2 1 299.375 -1.252 20 0 CAADMP C[C@H]1C[N@H+](C)C[C@@H](C(=O)N2C[C@H](O)[C@@H]([NH+](C)C)C2)O1 ZINC000635947897 372976491 /nfs/dbraw/zinc/97/64/91/372976491.db2.gz DSEAGJIYZPCXIA-BJDJZHNGSA-N 2 1 271.361 -1.161 20 0 CAADMP C[C@H]1C[N@@H+](C)C[C@@H](C(=O)N2C[C@H](O)[C@@H]([NH+](C)C)C2)O1 ZINC000635947897 372976498 /nfs/dbraw/zinc/97/64/98/372976498.db2.gz DSEAGJIYZPCXIA-BJDJZHNGSA-N 2 1 271.361 -1.161 20 0 CAADMP C[NH+](C)[C@H]1CN(C(=O)[C@H]2C[N@H+]3CCC[C@H]3CO2)C[C@@H]1O ZINC000635948170 372978401 /nfs/dbraw/zinc/97/84/01/372978401.db2.gz JRLIIRRPHPMZCI-ZDEQEGDKSA-N 2 1 283.372 -1.017 20 0 CAADMP Cn1c[nH+]cc1CCCN1CCN(CC(N)=O)C(=O)C1 ZINC000572659690 373004265 /nfs/dbraw/zinc/00/42/65/373004265.db2.gz NEUDKEFAMWSSGJ-UHFFFAOYSA-N 2 1 279.344 -1.018 20 0 CAADMP C[C@H](C(=O)NCCN1CC[NH2+]CC1)N1CC[NH+](C)CC1 ZINC000569972306 372984875 /nfs/dbraw/zinc/98/48/75/372984875.db2.gz VVMGUBPBTQYWRO-CYBMUJFWSA-N 2 1 283.420 -1.356 20 0 CAADMP CNS(=O)(=O)[C@H]1CCC[N@@H+](CCOCC[NH3+])C1 ZINC000569972248 372986337 /nfs/dbraw/zinc/98/63/37/372986337.db2.gz TZRAXMSOKVBPKS-JTQLQIEISA-N 2 1 265.379 -1.025 20 0 CAADMP C[N@H+](C[C@H](O)C[NH2+]CCCN1C(=O)CNC1=O)C1CC1 ZINC000570082329 372988460 /nfs/dbraw/zinc/98/84/60/372988460.db2.gz IVKAPIYMADHNRD-LLVKDONJSA-N 2 1 284.360 -1.027 20 0 CAADMP C[N@@H+](C[C@H](O)C[NH2+]CCCN1C(=O)CNC1=O)C1CC1 ZINC000570082329 372988463 /nfs/dbraw/zinc/98/84/63/372988463.db2.gz IVKAPIYMADHNRD-LLVKDONJSA-N 2 1 284.360 -1.027 20 0 CAADMP C[N@H+](CCC(=O)N1CC[NH2+]CC1)[C@H]1CCS(=O)(=O)C1 ZINC000019685421 373036969 /nfs/dbraw/zinc/03/69/69/373036969.db2.gz JLDPHRJJNICFQM-NSHDSACASA-N 2 1 289.401 -1.073 20 0 CAADMP C[N@@H+](CCC(=O)N1CC[NH2+]CC1)[C@H]1CCS(=O)(=O)C1 ZINC000019685421 373036976 /nfs/dbraw/zinc/03/69/76/373036976.db2.gz JLDPHRJJNICFQM-NSHDSACASA-N 2 1 289.401 -1.073 20 0 CAADMP COC[C@H](C[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1)OC ZINC000594876228 373104862 /nfs/dbraw/zinc/10/48/62/373104862.db2.gz KKADFZBEAAYVQU-VWYCJHECSA-N 2 1 257.334 -1.108 20 0 CAADMP COC[C@H](C[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1)OC ZINC000594876228 373104867 /nfs/dbraw/zinc/10/48/67/373104867.db2.gz KKADFZBEAAYVQU-VWYCJHECSA-N 2 1 257.334 -1.108 20 0 CAADMP COC[C@H](C[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1)OC ZINC000594876225 373105647 /nfs/dbraw/zinc/10/56/47/373105647.db2.gz KKADFZBEAAYVQU-DCAQKATOSA-N 2 1 257.334 -1.108 20 0 CAADMP COC[C@H](C[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1)OC ZINC000594876225 373105651 /nfs/dbraw/zinc/10/56/51/373105651.db2.gz KKADFZBEAAYVQU-DCAQKATOSA-N 2 1 257.334 -1.108 20 0 CAADMP COC[C@H](C[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1)OC ZINC000594876227 373105742 /nfs/dbraw/zinc/10/57/42/373105742.db2.gz KKADFZBEAAYVQU-OUAUKWLOSA-N 2 1 257.334 -1.108 20 0 CAADMP COC[C@H](C[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1)OC ZINC000594876227 373105745 /nfs/dbraw/zinc/10/57/45/373105745.db2.gz KKADFZBEAAYVQU-OUAUKWLOSA-N 2 1 257.334 -1.108 20 0 CAADMP [NH3+]CC(F)(F)CC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000594878982 373107420 /nfs/dbraw/zinc/10/74/20/373107420.db2.gz KRRUXOLTXJOBPL-SFYZADRCSA-N 2 1 276.287 -1.259 20 0 CAADMP COC(=O)CC[C@H]([NH3+])C(=O)NCC(F)(F)C[NH3+] ZINC000592326712 373070261 /nfs/dbraw/zinc/07/02/61/373070261.db2.gz VPRVVYAHLVQORK-LURJTMIESA-N 2 1 253.249 -1.023 20 0 CAADMP COC(=O)[C@H]1CN(c2nc(N)[nH+]c(N)n2)CC[N@H+](C)C1 ZINC000599086636 373167276 /nfs/dbraw/zinc/16/72/76/373167276.db2.gz QWLXYHSLJKWKSR-SSDOTTSWSA-N 2 1 281.320 -1.762 20 0 CAADMP COC(=O)[C@H]1CN(c2nc(N)[nH+]c(N)n2)CC[N@@H+](C)C1 ZINC000599086636 373167283 /nfs/dbraw/zinc/16/72/83/373167283.db2.gz QWLXYHSLJKWKSR-SSDOTTSWSA-N 2 1 281.320 -1.762 20 0 CAADMP C[NH+](C)CCOCCNC(=O)NCC[N@H+]1CC[C@H](O)C1 ZINC000637079021 373226284 /nfs/dbraw/zinc/22/62/84/373226284.db2.gz RHGTUCVZEMPBOY-LBPRGKRZSA-N 2 1 288.392 -1.070 20 0 CAADMP C[NH+](C)CCOCCNC(=O)NCC[N@H+]1CC[C@@H](O)C1 ZINC000637079020 373226585 /nfs/dbraw/zinc/22/65/85/373226585.db2.gz RHGTUCVZEMPBOY-GFCCVEGCSA-N 2 1 288.392 -1.070 20 0 CAADMP CN(C)C(=O)C[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000063179693 373198172 /nfs/dbraw/zinc/19/81/72/373198172.db2.gz NDNHGQQSRMLZDU-SNVBAGLBSA-N 2 1 256.350 -1.139 20 0 CAADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)O1 ZINC000602524571 373200909 /nfs/dbraw/zinc/20/09/09/373200909.db2.gz LUQALKULZSKRNM-WRWGMCAJSA-N 2 1 296.371 -1.524 20 0 CAADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)O1 ZINC000602524571 373200919 /nfs/dbraw/zinc/20/09/19/373200919.db2.gz LUQALKULZSKRNM-WRWGMCAJSA-N 2 1 296.371 -1.524 20 0 CAADMP C[N@H+](CCN1C(=O)NC(C)(C)C1=O)C[C@@H](O)C[NH3+] ZINC000310867284 373249270 /nfs/dbraw/zinc/24/92/70/373249270.db2.gz SQUSFFYZGQWMTM-QMMMGPOBSA-N 2 1 258.322 -1.432 20 0 CAADMP C[N@@H+](CCN1C(=O)NC(C)(C)C1=O)C[C@@H](O)C[NH3+] ZINC000310867284 373249276 /nfs/dbraw/zinc/24/92/76/373249276.db2.gz SQUSFFYZGQWMTM-QMMMGPOBSA-N 2 1 258.322 -1.432 20 0 CAADMP C[N@H+](CCN1C(=O)NC(C)(C)C1=O)C[C@H](O)C[NH3+] ZINC000310867283 373249937 /nfs/dbraw/zinc/24/99/37/373249937.db2.gz SQUSFFYZGQWMTM-MRVPVSSYSA-N 2 1 258.322 -1.432 20 0 CAADMP C[N@@H+](CCN1C(=O)NC(C)(C)C1=O)C[C@H](O)C[NH3+] ZINC000310867283 373249943 /nfs/dbraw/zinc/24/99/43/373249943.db2.gz SQUSFFYZGQWMTM-MRVPVSSYSA-N 2 1 258.322 -1.432 20 0 CAADMP CNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000063180350 373256835 /nfs/dbraw/zinc/25/68/35/373256835.db2.gz MSEJZNJFMWANGF-UWVGGRQHSA-N 2 1 299.375 -1.383 20 0 CAADMP COCC[N@H+]1CC[C@H](Nc2nc(N)[nH+]c(N)n2)C1 ZINC000623955028 373302436 /nfs/dbraw/zinc/30/24/36/373302436.db2.gz JPHHNYNKMQOGJJ-ZETCQYMHSA-N 2 1 253.310 -1.749 20 0 CAADMP COCC[NH+]1CCN(C(=O)CN2CC[NH2+]CC2)CC1 ZINC000638057536 373374375 /nfs/dbraw/zinc/37/43/75/373374375.db2.gz RGXSJSBLPPJRAQ-UHFFFAOYSA-N 2 1 270.377 -1.318 20 0 CAADMP C[NH+]1CCN(C(=O)CCNC(=O)CN2CC[NH2+]CC2)CC1 ZINC000638063846 373376116 /nfs/dbraw/zinc/37/61/16/373376116.db2.gz IIQDLXADYQGULZ-UHFFFAOYSA-N 2 1 297.403 -1.828 20 0 CAADMP C[NH+]1CCN(C(=O)CCNC(=O)[C@]2(C)C[NH2+]CCO2)CC1 ZINC000638065489 373376182 /nfs/dbraw/zinc/37/61/82/373376182.db2.gz VMWPTNLQYJQRSZ-AWEZNQCLSA-N 2 1 298.387 -1.355 20 0 CAADMP C[NH+]1CCN(C(=O)CCNC(=O)[C@@H]2OCC[C@@H]2[NH3+])CC1 ZINC000638063017 373377575 /nfs/dbraw/zinc/37/75/75/373377575.db2.gz BPOFVWPINIPLLQ-CMPLNLGQSA-N 2 1 284.360 -1.617 20 0 CAADMP C[C@H]1C[N@H+](C)C[C@H](C(=O)NCC(=O)N2CC[NH2+]CC2)O1 ZINC000637813074 373350418 /nfs/dbraw/zinc/35/04/18/373350418.db2.gz JBEMWDNEYRVHSH-WDEREUQCSA-N 2 1 284.360 -1.747 20 0 CAADMP C[C@H]1C[N@@H+](C)C[C@H](C(=O)NCC(=O)N2CC[NH2+]CC2)O1 ZINC000637813074 373350423 /nfs/dbraw/zinc/35/04/23/373350423.db2.gz JBEMWDNEYRVHSH-WDEREUQCSA-N 2 1 284.360 -1.747 20 0 CAADMP C[C@@H]1C[N@H+](C)C[C@@H](C(=O)NCC(=O)N2CC[NH2+]CC2)O1 ZINC000637813072 373350465 /nfs/dbraw/zinc/35/04/65/373350465.db2.gz JBEMWDNEYRVHSH-MNOVXSKESA-N 2 1 284.360 -1.747 20 0 CAADMP C[C@@H]1C[N@@H+](C)C[C@@H](C(=O)NCC(=O)N2CC[NH2+]CC2)O1 ZINC000637813072 373350469 /nfs/dbraw/zinc/35/04/69/373350469.db2.gz JBEMWDNEYRVHSH-MNOVXSKESA-N 2 1 284.360 -1.747 20 0 CAADMP O=C(CNC(=O)[C@H]1C[N@H+]2CCC[C@H]2CO1)N1CC[NH2+]CC1 ZINC000637812804 373350556 /nfs/dbraw/zinc/35/05/56/373350556.db2.gz CPBJWMDESDCRNI-NWDGAFQWSA-N 2 1 296.371 -1.602 20 0 CAADMP C[NH+](CCOCC[N@H+](C)[C@@H]1CCNC1=O)[C@@H]1CCNC1=O ZINC000340225442 373401860 /nfs/dbraw/zinc/40/18/60/373401860.db2.gz JCXARJBMNLYAPU-VXGBXAGGSA-N 2 1 298.387 -1.356 20 0 CAADMP CN(CCC[NH+]1CCN(C)CC1)C(=O)CN1CC[NH2+]CC1 ZINC000638279234 373405903 /nfs/dbraw/zinc/40/59/03/373405903.db2.gz OSXBRSAUQLFPMV-UHFFFAOYSA-N 2 1 297.447 -1.013 20 0 CAADMP C[C@]1(C(=O)NC[C@H]2C[N@H+]3CCN2CCC3)C[NH2+]CCO1 ZINC000638427956 373422230 /nfs/dbraw/zinc/42/22/30/373422230.db2.gz XXETUGAAZCJNQV-GXTWGEPZSA-N 2 1 282.388 -1.129 20 0 CAADMP C[C@]1(C(=O)NCCC[N@H+]2CCC[C@H]2C(N)=O)C[NH2+]CCO1 ZINC000638496518 373427636 /nfs/dbraw/zinc/42/76/36/373427636.db2.gz SMLRXWIMHWBVKO-SMDDNHRTSA-N 2 1 298.387 -1.179 20 0 CAADMP NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000638495315 373427803 /nfs/dbraw/zinc/42/78/03/373427803.db2.gz ADPUSRLSIPQAMQ-WHOHXGKFSA-N 2 1 280.372 -1.092 20 0 CAADMP C[C@H](CNC(=O)CN1CC[NH2+]CC1)C[NH+]1CCOCC1 ZINC000638091035 373382641 /nfs/dbraw/zinc/38/26/41/373382641.db2.gz OFHRLCYHAZXTCK-CYBMUJFWSA-N 2 1 284.404 -1.024 20 0 CAADMP CN(C)C(=O)CC[NH+]1CCN(C(=O)[C@@H]2OCC[C@@H]2[NH3+])CC1 ZINC000638126467 373387994 /nfs/dbraw/zinc/38/79/94/373387994.db2.gz VXMPCMATZFTBCX-WCQYABFASA-N 2 1 298.387 -1.275 20 0 CAADMP C[NH+](CCOCC[N@H+](C)[C@@H]1CCNC1=O)[C@H]1CCNC1=O ZINC000340225441 373400716 /nfs/dbraw/zinc/40/07/16/373400716.db2.gz JCXARJBMNLYAPU-TXEJJXNPSA-N 2 1 298.387 -1.356 20 0 CAADMP C[NH+](CCOCC[N@H+](C)[C@H]1CCNC1=O)[C@@H]1CCNC1=O ZINC000340225441 373400727 /nfs/dbraw/zinc/40/07/27/373400727.db2.gz JCXARJBMNLYAPU-TXEJJXNPSA-N 2 1 298.387 -1.356 20 0 CAADMP C[NH+](CCOCC[N@@H+](C)[C@H]1CCNC1=O)[C@@H]1CCNC1=O ZINC000340225441 373400737 /nfs/dbraw/zinc/40/07/37/373400737.db2.gz JCXARJBMNLYAPU-TXEJJXNPSA-N 2 1 298.387 -1.356 20 0 CAADMP CN1CCOC[C@H]1CNC(=O)[C@]1(C)CNCCO1 ZINC000638609201 373442123 /nfs/dbraw/zinc/44/21/23/373442123.db2.gz FMEIVJRFUAVJMK-PWSUYJOCSA-N 2 1 257.334 -1.188 20 0 CAADMP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2COCC[NH2+]2)C1 ZINC000638616014 373446354 /nfs/dbraw/zinc/44/63/54/373446354.db2.gz LFRWVVFLTDINEZ-GHMZBOCLSA-N 2 1 257.334 -1.188 20 0 CAADMP CC[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2COCC[NH2+]2)C1 ZINC000638616014 373446358 /nfs/dbraw/zinc/44/63/58/373446358.db2.gz LFRWVVFLTDINEZ-GHMZBOCLSA-N 2 1 257.334 -1.188 20 0 CAADMP CC[N@@H+]1CCO[C@H](C(=O)NC[C@H]2COCC[NH2+]2)C1 ZINC000638616016 373446414 /nfs/dbraw/zinc/44/64/14/373446414.db2.gz LFRWVVFLTDINEZ-QWRGUYRKSA-N 2 1 257.334 -1.188 20 0 CAADMP CC[N@H+]1CCO[C@H](C(=O)NC[C@H]2COCC[NH2+]2)C1 ZINC000638616016 373446416 /nfs/dbraw/zinc/44/64/16/373446416.db2.gz LFRWVVFLTDINEZ-QWRGUYRKSA-N 2 1 257.334 -1.188 20 0 CAADMP C[C@@H]1OCC[NH2+][C@H]1C(=O)NCCCN1CC[NH2+]CC1 ZINC000343675421 373513503 /nfs/dbraw/zinc/51/35/03/373513503.db2.gz SULNGDFWENJXKZ-NWDGAFQWSA-N 2 1 270.377 -1.225 20 0 CAADMP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)CNC(=O)C[NH3+] ZINC000125205600 373489922 /nfs/dbraw/zinc/48/99/22/373489922.db2.gz PPBOJBRUTPWHIN-SNVBAGLBSA-N 2 1 256.350 -1.139 20 0 CAADMP O=C1NC[C@H]2C[N@@H+](CC3CC[NH2+]CC3)CCN2C1=O ZINC000346977941 373539843 /nfs/dbraw/zinc/53/98/43/373539843.db2.gz NQBHGOPFNMRPCL-NSHDSACASA-N 2 1 266.345 -1.371 20 0 CAADMP C[NH+]1CCC(O)(CNC(=O)[C@@H]2C[N@H+]3CCN2CCC3)CC1 ZINC000535724223 373559503 /nfs/dbraw/zinc/55/95/03/373559503.db2.gz DODVVCVJBBNWSB-ZDUSSCGKSA-N 2 1 296.415 -1.051 20 0 CAADMP [NH3+]CCCC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000519398369 373563944 /nfs/dbraw/zinc/56/39/44/373563944.db2.gz VKTGEDWVPYZIAR-UHFFFAOYSA-N 2 1 290.389 -1.829 20 0 CAADMP [NH3+][C@@H]1CC[C@@H]2C[N@H+](CC(=O)N3CCNC(=O)C3)C[C@H]12 ZINC000351482365 373570676 /nfs/dbraw/zinc/57/06/76/373570676.db2.gz ZHKDBWHSSXOSNG-OUAUKWLOSA-N 2 1 266.345 -1.386 20 0 CAADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](CC(=O)N3CCNC(=O)C3)C[C@H]12 ZINC000351482365 373570685 /nfs/dbraw/zinc/57/06/85/373570685.db2.gz ZHKDBWHSSXOSNG-OUAUKWLOSA-N 2 1 266.345 -1.386 20 0 CAADMP COCC[NH+]1CCN(C(=O)CNC(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000351546748 373574731 /nfs/dbraw/zinc/57/47/31/373574731.db2.gz ZQFNWGUORZYDRX-LBPRGKRZSA-N 2 1 298.387 -1.355 20 0 CAADMP C[C@H]([NH3+])C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000186665665 373636983 /nfs/dbraw/zinc/63/69/83/373636983.db2.gz QPZNUWWBYPPFNI-VHSXEESVSA-N 2 1 254.334 -1.244 20 0 CAADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)NC1C[NH2+]C1 ZINC000584711927 373651069 /nfs/dbraw/zinc/65/10/69/373651069.db2.gz MMUNLVUNUZHXQY-VIFPVBQESA-N 2 1 256.350 -1.079 20 0 CAADMP CN(CCC(N)=O)CC1(C[N@@H+](C)CCC(N)=O)COC1 ZINC000353171251 373600667 /nfs/dbraw/zinc/60/06/67/373600667.db2.gz HPFVQSIVZLWVMH-UHFFFAOYSA-N 2 1 286.376 -1.383 20 0 CAADMP C[NH+](CCC(N)=O)CC1(C[N@H+](C)CCC(N)=O)COC1 ZINC000353171251 373600669 /nfs/dbraw/zinc/60/06/69/373600669.db2.gz HPFVQSIVZLWVMH-UHFFFAOYSA-N 2 1 286.376 -1.383 20 0 CAADMP C[NH+](CCC(N)=O)CC1(C[N@@H+](C)CCC(N)=O)COC1 ZINC000353171251 373600671 /nfs/dbraw/zinc/60/06/71/373600671.db2.gz HPFVQSIVZLWVMH-UHFFFAOYSA-N 2 1 286.376 -1.383 20 0 CAADMP C[NH+]1CCN(C(=O)CC[N@@H+]2C[C@@H](O)C[C@]2(C)CO)CC1 ZINC000639851063 373614643 /nfs/dbraw/zinc/61/46/43/373614643.db2.gz YWONMJULOPOSJG-GXTWGEPZSA-N 2 1 285.388 -1.032 20 0 CAADMP C[NH+]1CCN(C(=O)CC[N@H+]2C[C@@H](O)C[C@]2(C)CO)CC1 ZINC000639851063 373614650 /nfs/dbraw/zinc/61/46/50/373614650.db2.gz YWONMJULOPOSJG-GXTWGEPZSA-N 2 1 285.388 -1.032 20 0 CAADMP C[NH+]1CCN(C(=O)CC[N@@H+]2C[C@@H](O)C[C@@]2(C)CO)CC1 ZINC000639851069 373615123 /nfs/dbraw/zinc/61/51/23/373615123.db2.gz YWONMJULOPOSJG-JSGCOSHPSA-N 2 1 285.388 -1.032 20 0 CAADMP C[NH+]1CCN(C(=O)CC[N@H+]2C[C@@H](O)C[C@@]2(C)CO)CC1 ZINC000639851069 373615131 /nfs/dbraw/zinc/61/51/31/373615131.db2.gz YWONMJULOPOSJG-JSGCOSHPSA-N 2 1 285.388 -1.032 20 0 CAADMP CC(C)C[NH+]1CCN(C(=O)C(=O)NC2C[NH2+]C2)CC1 ZINC000580413867 373665690 /nfs/dbraw/zinc/66/56/90/373665690.db2.gz SCVLSTSTCIHRKZ-UHFFFAOYSA-N 2 1 268.361 -1.125 20 0 CAADMP C[N@H+](C[C@H](O)C[NH2+]CCN1C(=O)CNC1=O)C1CC1 ZINC000564078157 373669385 /nfs/dbraw/zinc/66/93/85/373669385.db2.gz PQQRLCIQKKBAGV-SNVBAGLBSA-N 2 1 270.333 -1.417 20 0 CAADMP C[N@@H+](C[C@H](O)C[NH2+]CCN1C(=O)CNC1=O)C1CC1 ZINC000564078157 373669393 /nfs/dbraw/zinc/66/93/93/373669393.db2.gz PQQRLCIQKKBAGV-SNVBAGLBSA-N 2 1 270.333 -1.417 20 0 CAADMP CN(C[C@@H]1CCC[N@H+]1C)C(=O)C(=O)N1CC[NH2+]CC1 ZINC000423731343 373693525 /nfs/dbraw/zinc/69/35/25/373693525.db2.gz XTRRLUKBLSEHRP-NSHDSACASA-N 2 1 268.361 -1.029 20 0 CAADMP C[C@@H]1CN(C(=O)C(=O)N(C)CC[NH3+])C[C@H](C)[N@H+]1C ZINC000423713755 373694154 /nfs/dbraw/zinc/69/41/54/373694154.db2.gz WGSMCVCITDRMHG-AOOOYVTPSA-N 2 1 256.350 -1.046 20 0 CAADMP C[C@@H]1CN(C(=O)C(=O)N(C)CC[NH3+])C[C@H](C)[N@@H+]1C ZINC000423713755 373694161 /nfs/dbraw/zinc/69/41/61/373694161.db2.gz WGSMCVCITDRMHG-AOOOYVTPSA-N 2 1 256.350 -1.046 20 0 CAADMP O=C1CNC(=O)N1CC[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000629566093 373777042 /nfs/dbraw/zinc/77/70/42/373777042.db2.gz LUDMNVHVIJJDOO-SNVBAGLBSA-N 2 1 270.333 -1.416 20 0 CAADMP C[NH2+]CCOCC[N@@H+](C)Cc1cc(=O)n(C)c(=O)n1C ZINC000629568299 373777202 /nfs/dbraw/zinc/77/72/02/373777202.db2.gz IUEPUHHAYUYJBP-UHFFFAOYSA-N 2 1 284.360 -1.248 20 0 CAADMP O=C(C(=O)N1CC[N@H+]2CCC[C@H]2C1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000643513462 373734662 /nfs/dbraw/zinc/73/46/62/373734662.db2.gz WVNOJYAHRKAXIO-XQQFMLRXSA-N 2 1 292.383 -1.029 20 0 CAADMP C[NH2+]CCOCC[N@H+](C)CC(=O)N1CCNC(=O)C1 ZINC000629566988 373777180 /nfs/dbraw/zinc/77/71/80/373777180.db2.gz CMROXZGPRGVKOP-UHFFFAOYSA-N 2 1 272.349 -1.887 20 0 CAADMP C[NH2+]CCOCC[N@@H+](C)CC(=O)N1CCNC(=O)C1 ZINC000629566988 373777183 /nfs/dbraw/zinc/77/71/83/373777183.db2.gz CMROXZGPRGVKOP-UHFFFAOYSA-N 2 1 272.349 -1.887 20 0 CAADMP O=C(N[C@H](CO)C[NH+]1CCCC1)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000640324184 373753880 /nfs/dbraw/zinc/75/38/80/373753880.db2.gz ZDBLMHWRBNNBAN-KBPBESRZSA-N 2 1 296.415 -1.051 20 0 CAADMP O=C(N[C@@H](CO)C[NH+]1CCCC1)[C@H]1C[N@H+]2CCN1CCC2 ZINC000640324197 373754416 /nfs/dbraw/zinc/75/44/16/373754416.db2.gz ZDBLMHWRBNNBAN-ZIAGYGMSSA-N 2 1 296.415 -1.051 20 0 CAADMP CC[NH+]1CCN(CC(=O)NCC[N@H+]2CC[C@@H](O)C2)CC1 ZINC000629174376 373758207 /nfs/dbraw/zinc/75/82/07/373758207.db2.gz XOGACFOEMKPUNK-CYBMUJFWSA-N 2 1 284.404 -1.193 20 0 CAADMP CC[N@@H+]1CCO[C@@H](C(=O)NCC[NH+]2CC[C@@H](O)C2)C1 ZINC000629172296 373759056 /nfs/dbraw/zinc/75/90/56/373759056.db2.gz CLZPPKYYAVEWRX-VXGBXAGGSA-N 2 1 271.361 -1.110 20 0 CAADMP CC[N@H+]1CCO[C@@H](C(=O)NCC[NH+]2CC[C@@H](O)C2)C1 ZINC000629172296 373759059 /nfs/dbraw/zinc/75/90/59/373759059.db2.gz CLZPPKYYAVEWRX-VXGBXAGGSA-N 2 1 271.361 -1.110 20 0 CAADMP CC[NH+]1CCO[C@@H](C(=O)NCC[N@@H+]2CC[C@@H](O)C2)C1 ZINC000629172296 373759066 /nfs/dbraw/zinc/75/90/66/373759066.db2.gz CLZPPKYYAVEWRX-VXGBXAGGSA-N 2 1 271.361 -1.110 20 0 CAADMP CC[NH+]1CCO[C@@H](C(=O)NCC[N@H+]2CC[C@@H](O)C2)C1 ZINC000629172296 373759072 /nfs/dbraw/zinc/75/90/72/373759072.db2.gz CLZPPKYYAVEWRX-VXGBXAGGSA-N 2 1 271.361 -1.110 20 0 CAADMP C[NH2+]CCOCC[N@@H+](C)CCC(=O)N1CC[NH2+]CC1 ZINC000629570487 373776440 /nfs/dbraw/zinc/77/64/40/373776440.db2.gz LEWFGZVSELHPDX-UHFFFAOYSA-N 3 1 272.393 -1.024 20 0 CAADMP C[NH2+]CCOCC[N@H+](C)CCC(=O)N1CCNCC1 ZINC000629570487 373776445 /nfs/dbraw/zinc/77/64/45/373776445.db2.gz LEWFGZVSELHPDX-UHFFFAOYSA-N 2 1 272.393 -1.024 20 0 CAADMP C[NH2+]CCOCC[N@@H+](C)CCC(=O)N1CCNCC1 ZINC000629570487 373776453 /nfs/dbraw/zinc/77/64/53/373776453.db2.gz LEWFGZVSELHPDX-UHFFFAOYSA-N 2 1 272.393 -1.024 20 0 CAADMP COC[C@@H](C(N)=O)[N@H+](C)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000641804380 373815150 /nfs/dbraw/zinc/81/51/50/373815150.db2.gz ICAHYXBCILWKEF-ZJUUUORDSA-N 2 1 257.334 -1.061 20 0 CAADMP COC[C@@H](C(N)=O)[N@@H+](C)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000641804380 373815154 /nfs/dbraw/zinc/81/51/54/373815154.db2.gz ICAHYXBCILWKEF-ZJUUUORDSA-N 2 1 257.334 -1.061 20 0 CAADMP CCO[C@@H]1C[N@H+](CCCS(N)(=O)=O)C[C@H]1C[NH3+] ZINC000641825458 373815243 /nfs/dbraw/zinc/81/52/43/373815243.db2.gz XOAWRAVVKRZUFH-NXEZZACHSA-N 2 1 265.379 -1.039 20 0 CAADMP CCO[C@@H]1C[N@@H+](CCCS(N)(=O)=O)C[C@H]1C[NH3+] ZINC000641825458 373815246 /nfs/dbraw/zinc/81/52/46/373815246.db2.gz XOAWRAVVKRZUFH-NXEZZACHSA-N 2 1 265.379 -1.039 20 0 CAADMP C[C@@H]1CN(S(=O)(=O)C[C@@H]2C[NH2+]CCO2)C[C@@H](C)[NH2+]1 ZINC000631904518 373821582 /nfs/dbraw/zinc/82/15/82/373821582.db2.gz PYCUPKHFLSQMRE-MXWKQRLJSA-N 2 1 277.390 -1.013 20 0 CAADMP C[C@@H]1CN(S(=O)(=O)C[C@H]2C[NH2+]CCO2)C[C@@H](C)[NH2+]1 ZINC000631904517 373821631 /nfs/dbraw/zinc/82/16/31/373821631.db2.gz PYCUPKHFLSQMRE-GMTAPVOTSA-N 2 1 277.390 -1.013 20 0 CAADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)NC2C[NH2+]C2)C1 ZINC000642222638 373823512 /nfs/dbraw/zinc/82/35/12/373823512.db2.gz LFKTVJICVRIZTN-LBPRGKRZSA-N 2 1 298.387 -1.453 20 0 CAADMP CN1CCOC[C@@H]1CNC(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000623600686 373824782 /nfs/dbraw/zinc/82/47/82/373824782.db2.gz XWUWZYBVEFYQFN-STQMWFEESA-N 2 1 299.419 -1.138 20 0 CAADMP CN1CCN(C)[C@@H](CNC(=O)NC[C@H]2COCCN2C)C1 ZINC000623600686 373824790 /nfs/dbraw/zinc/82/47/90/373824790.db2.gz XWUWZYBVEFYQFN-STQMWFEESA-N 2 1 299.419 -1.138 20 0 CAADMP CN1CCOC[C@H]1CNC(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000623600685 373825953 /nfs/dbraw/zinc/82/59/53/373825953.db2.gz XWUWZYBVEFYQFN-QWHCGFSZSA-N 2 1 299.419 -1.138 20 0 CAADMP CN1CCN(C)[C@@H](CNC(=O)NC[C@@H]2COCCN2C)C1 ZINC000623600685 373825958 /nfs/dbraw/zinc/82/59/58/373825958.db2.gz XWUWZYBVEFYQFN-QWHCGFSZSA-N 2 1 299.419 -1.138 20 0 CAADMP COCC[N@@H+](C)CCNC(=O)NC[C@H]1COCC[NH2+]1 ZINC000626965359 373827904 /nfs/dbraw/zinc/82/79/04/373827904.db2.gz AYZQLLBJYBRJDG-NSHDSACASA-N 2 1 274.365 -1.148 20 0 CAADMP C[N@H+]1CCC[C@H]1CNC(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000627066661 373836940 /nfs/dbraw/zinc/83/69/40/373836940.db2.gz VNUIRYVLLLQCSR-NSHDSACASA-N 2 1 283.376 -1.188 20 0 CAADMP CCS(=O)(=O)NCC[N@H+](C)CCOCC[NH3+] ZINC000629578253 373778964 /nfs/dbraw/zinc/77/89/64/373778964.db2.gz IIKADKREVDBZOM-UHFFFAOYSA-N 2 1 253.368 -1.167 20 0 CAADMP CCS(=O)(=O)NCC[N@@H+](C)CCOCC[NH3+] ZINC000629578253 373778967 /nfs/dbraw/zinc/77/89/67/373778967.db2.gz IIKADKREVDBZOM-UHFFFAOYSA-N 2 1 253.368 -1.167 20 0 CAADMP C[NH2+]CCOCC[N@H+](C)CCNS(C)(=O)=O ZINC000629572157 373779052 /nfs/dbraw/zinc/77/90/52/373779052.db2.gz XEWXPQBKFSQIQW-UHFFFAOYSA-N 2 1 253.368 -1.297 20 0 CAADMP C[NH2+]CCOCC[N@@H+](C)CCNS(C)(=O)=O ZINC000629572157 373779057 /nfs/dbraw/zinc/77/90/57/373779057.db2.gz XEWXPQBKFSQIQW-UHFFFAOYSA-N 2 1 253.368 -1.297 20 0 CAADMP C[N@H+](CCOCC[NH3+])CC(=O)NCC(=O)N1CCCC1 ZINC000629579025 373779069 /nfs/dbraw/zinc/77/90/69/373779069.db2.gz IGJPNRHFIQNBQK-UHFFFAOYSA-N 2 1 286.376 -1.368 20 0 CAADMP C[N@@H+](CCOCC[NH3+])CC(=O)NCC(=O)N1CCCC1 ZINC000629579025 373779076 /nfs/dbraw/zinc/77/90/76/373779076.db2.gz IGJPNRHFIQNBQK-UHFFFAOYSA-N 2 1 286.376 -1.368 20 0 CAADMP CCN1CCO[C@@H](C(=O)NCC[N@H+]2CC[C@H](O)C2)C1 ZINC000629913351 373790714 /nfs/dbraw/zinc/79/07/14/373790714.db2.gz CLZPPKYYAVEWRX-NWDGAFQWSA-N 2 1 271.361 -1.110 20 0 CAADMP CC[N@H+]1CCO[C@@H](C(=O)NCC[NH+]2CC[C@H](O)C2)C1 ZINC000629913351 373790729 /nfs/dbraw/zinc/79/07/29/373790729.db2.gz CLZPPKYYAVEWRX-NWDGAFQWSA-N 2 1 271.361 -1.110 20 0 CAADMP CC[NH+]1CCO[C@@H](C(=O)NCC[N@@H+]2CC[C@H](O)C2)C1 ZINC000629913351 373790733 /nfs/dbraw/zinc/79/07/33/373790733.db2.gz CLZPPKYYAVEWRX-NWDGAFQWSA-N 2 1 271.361 -1.110 20 0 CAADMP CC[NH+]1CCO[C@@H](C(=O)NCC[N@H+]2CC[C@H](O)C2)C1 ZINC000629913351 373790740 /nfs/dbraw/zinc/79/07/40/373790740.db2.gz CLZPPKYYAVEWRX-NWDGAFQWSA-N 2 1 271.361 -1.110 20 0 CAADMP CCN1CCO[C@H](C(=O)NCC[N@H+]2CC[C@H](O)C2)C1 ZINC000629913354 373791745 /nfs/dbraw/zinc/79/17/45/373791745.db2.gz CLZPPKYYAVEWRX-RYUDHWBXSA-N 2 1 271.361 -1.110 20 0 CAADMP CC[N@H+]1CCO[C@H](C(=O)NCC[NH+]2CC[C@H](O)C2)C1 ZINC000629913354 373791766 /nfs/dbraw/zinc/79/17/66/373791766.db2.gz CLZPPKYYAVEWRX-RYUDHWBXSA-N 2 1 271.361 -1.110 20 0 CAADMP CC[NH+]1CCO[C@H](C(=O)NCC[N@@H+]2CC[C@H](O)C2)C1 ZINC000629913354 373791776 /nfs/dbraw/zinc/79/17/76/373791776.db2.gz CLZPPKYYAVEWRX-RYUDHWBXSA-N 2 1 271.361 -1.110 20 0 CAADMP CC[NH+]1CCO[C@H](C(=O)NCC[N@H+]2CC[C@H](O)C2)C1 ZINC000629913354 373791783 /nfs/dbraw/zinc/79/17/83/373791783.db2.gz CLZPPKYYAVEWRX-RYUDHWBXSA-N 2 1 271.361 -1.110 20 0 CAADMP CC[N@@H+](C)C[C@@H](O)Cn1cc(CN2CC[NH2+]CC2)nn1 ZINC000641222884 373800689 /nfs/dbraw/zinc/80/06/89/373800689.db2.gz OIOBHLNVJJLJQN-CYBMUJFWSA-N 2 1 282.392 -1.004 20 0 CAADMP O=C(N[C@@H]1CC[NH2+]C1)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000627252139 373888051 /nfs/dbraw/zinc/88/80/51/373888051.db2.gz LWQUEOJUNZOKGY-OUAUKWLOSA-N 2 1 254.334 -1.191 20 0 CAADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H](CO)C[NH+](C)C)C1 ZINC000614844893 373896811 /nfs/dbraw/zinc/89/68/11/373896811.db2.gz ANWRZEDKKYTWSW-MNOVXSKESA-N 2 1 259.350 -1.254 20 0 CAADMP CC[N@H+]1CCO[C@H](C(=O)N[C@@H](CO)C[NH+](C)C)C1 ZINC000614844893 373896817 /nfs/dbraw/zinc/89/68/17/373896817.db2.gz ANWRZEDKKYTWSW-MNOVXSKESA-N 2 1 259.350 -1.254 20 0 CAADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@H](CO)C[NH+](C)C)C1 ZINC000614844896 373897001 /nfs/dbraw/zinc/89/70/01/373897001.db2.gz ANWRZEDKKYTWSW-WDEREUQCSA-N 2 1 259.350 -1.254 20 0 CAADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@H](CO)C[NH+](C)C)C1 ZINC000614844896 373897004 /nfs/dbraw/zinc/89/70/04/373897004.db2.gz ANWRZEDKKYTWSW-WDEREUQCSA-N 2 1 259.350 -1.254 20 0 CAADMP C[NH2+]CCOCCNC(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000627170469 373842755 /nfs/dbraw/zinc/84/27/55/373842755.db2.gz AIDXLLHBUKCZPK-NWDGAFQWSA-N 2 1 286.376 -1.317 20 0 CAADMP C[NH2+]CCOCCNC(=O)NCC[N@H+]1CC[C@H](O)C1 ZINC000627169155 373843180 /nfs/dbraw/zinc/84/31/80/373843180.db2.gz FECSGTYEQGMDCM-NSHDSACASA-N 2 1 274.365 -1.412 20 0 CAADMP C[NH2+]CCOCCNC(=O)N1CC[N@H+](CCO)C[C@H]1C ZINC000627171370 373843425 /nfs/dbraw/zinc/84/34/25/373843425.db2.gz CRKSBLCYWVCWCA-GFCCVEGCSA-N 2 1 288.392 -1.070 20 0 CAADMP C[NH2+]CCOCCNC(=O)N1CC[N@@H+](CCO)C[C@H]1C ZINC000627171370 373843429 /nfs/dbraw/zinc/84/34/29/373843429.db2.gz CRKSBLCYWVCWCA-GFCCVEGCSA-N 2 1 288.392 -1.070 20 0 CAADMP C[NH2+]CCOCCNC(=O)NC[C@@]1(O)CC[N@@H+](C)C1 ZINC000627173690 373845332 /nfs/dbraw/zinc/84/53/32/373845332.db2.gz FVCDZNFESYDYJV-LBPRGKRZSA-N 2 1 274.365 -1.412 20 0 CAADMP C[NH2+]CCOCCNC(=O)NC[C@]1(O)CC[N@@H+](C)C1 ZINC000627173689 373845431 /nfs/dbraw/zinc/84/54/31/373845431.db2.gz FVCDZNFESYDYJV-GFCCVEGCSA-N 2 1 274.365 -1.412 20 0 CAADMP C[N@H+]1CC[C@](O)(CNC(=O)NC[C@H]2COCC[NH2+]2)C1 ZINC000627190095 373847270 /nfs/dbraw/zinc/84/72/70/373847270.db2.gz UTDGGUGMDBMLSK-JQWIXIFHSA-N 2 1 272.349 -1.659 20 0 CAADMP O=C(NCC[N@@H+]1CC[C@@H](O)C1)NC[C@@H]1COCC[NH2+]1 ZINC000627191886 373847945 /nfs/dbraw/zinc/84/79/45/373847945.db2.gz JASREXSLHRZDDO-GHMZBOCLSA-N 2 1 272.349 -1.659 20 0 CAADMP [NH3+]CCCOCCNC(=O)NCC[N@H+]1CC[C@H](O)C1 ZINC000627220078 373853546 /nfs/dbraw/zinc/85/35/46/373853546.db2.gz KTJBRLOWSKRWNB-NSHDSACASA-N 2 1 274.365 -1.282 20 0 CAADMP [NH3+]CCCOCCNC(=O)NCC[N@H+]1CC[C@@H](O)C1 ZINC000627220077 373854570 /nfs/dbraw/zinc/85/45/70/373854570.db2.gz KTJBRLOWSKRWNB-LLVKDONJSA-N 2 1 274.365 -1.282 20 0 CAADMP COC[C@@H](O)C[NH2+]CCC(=O)N1CC[NH+](C)CC1 ZINC000566118175 373943458 /nfs/dbraw/zinc/94/34/58/373943458.db2.gz XMPGIJPZQITJNW-NSHDSACASA-N 2 1 259.350 -1.253 20 0 CAADMP C[NH2+]C[C@@](C)(O)CN1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000566351468 373946814 /nfs/dbraw/zinc/94/68/14/373946814.db2.gz KNHTWMKRRKZOGW-GXTWGEPZSA-N 2 1 284.404 -1.147 20 0 CAADMP C[NH+]1CCN(C(=O)CC[N@@H+]2CC[C@H](CO)[C@H](O)C2)CC1 ZINC000566671659 373950060 /nfs/dbraw/zinc/95/00/60/373950060.db2.gz XXSSLFAJOAMINV-CHWSQXEVSA-N 2 1 285.388 -1.174 20 0 CAADMP C[NH+]1CCN(C(=O)CC[N@H+]2CC[C@H](CO)[C@H](O)C2)CC1 ZINC000566671659 373950070 /nfs/dbraw/zinc/95/00/70/373950070.db2.gz XXSSLFAJOAMINV-CHWSQXEVSA-N 2 1 285.388 -1.174 20 0 CAADMP C[NH+]1CCN(C(=O)CC[N@@H+]2CC[C@H](CO)[C@@H](O)C2)CC1 ZINC000566671660 373950923 /nfs/dbraw/zinc/95/09/23/373950923.db2.gz XXSSLFAJOAMINV-OLZOCXBDSA-N 2 1 285.388 -1.174 20 0 CAADMP C[NH+]1CCN(C(=O)CC[N@H+]2CC[C@H](CO)[C@@H](O)C2)CC1 ZINC000566671660 373950927 /nfs/dbraw/zinc/95/09/27/373950927.db2.gz XXSSLFAJOAMINV-OLZOCXBDSA-N 2 1 285.388 -1.174 20 0 CAADMP C[NH+]1CCN(C(=O)CC[N@@H+]2CC[C@@H](CO)[C@H](O)C2)CC1 ZINC000566671661 373951276 /nfs/dbraw/zinc/95/12/76/373951276.db2.gz XXSSLFAJOAMINV-QWHCGFSZSA-N 2 1 285.388 -1.174 20 0 CAADMP C[NH+]1CCN(C(=O)CC[N@H+]2CC[C@@H](CO)[C@H](O)C2)CC1 ZINC000566671661 373951281 /nfs/dbraw/zinc/95/12/81/373951281.db2.gz XXSSLFAJOAMINV-QWHCGFSZSA-N 2 1 285.388 -1.174 20 0 CAADMP [NH3+][C@@H]1C[C@H]2C[N@H+](CCC(=O)N3CCOCC3)CCN2C1=O ZINC000566631086 373951366 /nfs/dbraw/zinc/95/13/66/373951366.db2.gz KGACZXHGFNABRA-NWDGAFQWSA-N 2 1 296.371 -1.521 20 0 CAADMP [NH3+][C@@H]1C[C@H]2C[N@@H+](CCC(=O)N3CCOCC3)CCN2C1=O ZINC000566631086 373951369 /nfs/dbraw/zinc/95/13/69/373951369.db2.gz KGACZXHGFNABRA-NWDGAFQWSA-N 2 1 296.371 -1.521 20 0 CAADMP C[NH+]1CCN(C(=O)CC[N@@H+]2CC[C@@H](CO)[C@@H](O)C2)CC1 ZINC000566671662 373951421 /nfs/dbraw/zinc/95/14/21/373951421.db2.gz XXSSLFAJOAMINV-STQMWFEESA-N 2 1 285.388 -1.174 20 0 CAADMP C[NH+]1CCN(C(=O)CC[N@H+]2CC[C@@H](CO)[C@@H](O)C2)CC1 ZINC000566671662 373951424 /nfs/dbraw/zinc/95/14/24/373951424.db2.gz XXSSLFAJOAMINV-STQMWFEESA-N 2 1 285.388 -1.174 20 0 CAADMP CN1CC[N@H+](C[C@H]2CCCN(C(=O)C[NH3+])C2)CC1=O ZINC000568007722 373964866 /nfs/dbraw/zinc/96/48/66/373964866.db2.gz YNSKAFGAZPERTP-LLVKDONJSA-N 2 1 268.361 -1.042 20 0 CAADMP CN1CC[N@@H+](C[C@H]2CCCN(C(=O)C[NH3+])C2)CC1=O ZINC000568007722 373964871 /nfs/dbraw/zinc/96/48/71/373964871.db2.gz YNSKAFGAZPERTP-LLVKDONJSA-N 2 1 268.361 -1.042 20 0 CAADMP [NH3+]CC(F)(F)CNC(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000567047629 373953904 /nfs/dbraw/zinc/95/39/04/373953904.db2.gz NXFPLPLOXXNYRR-ZETCQYMHSA-N 2 1 264.276 -1.435 20 0 CAADMP [NH3+]CC(F)(F)CNC(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000567047628 373954493 /nfs/dbraw/zinc/95/44/93/373954493.db2.gz NXFPLPLOXXNYRR-SSDOTTSWSA-N 2 1 264.276 -1.435 20 0 CAADMP CN(C)C(=O)CC[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000567407977 373956983 /nfs/dbraw/zinc/95/69/83/373956983.db2.gz RGHJUYRAFIZFDM-UWVGGRQHSA-N 2 1 254.334 -1.292 20 0 CAADMP CN(C[C@@H]1CCC[N@H+]1C)C(=O)C(=O)NC1C[NH2+]C1 ZINC000567649024 373958883 /nfs/dbraw/zinc/95/88/83/373958883.db2.gz MSBPIOPCKIYBHZ-JTQLQIEISA-N 2 1 254.334 -1.373 20 0 CAADMP C[NH+]1CCN(C(=O)CC[NH2+]C[C@H](O)Cn2cccn2)CC1 ZINC000567691780 373960017 /nfs/dbraw/zinc/96/00/17/373960017.db2.gz FDVYUDZAMWJLOY-ZDUSSCGKSA-N 2 1 295.387 -1.002 20 0 CAADMP C[NH+](C)CC(=O)Nc1nc(N2CC[NH2+]CC2)n[nH]1 ZINC000567830532 373961701 /nfs/dbraw/zinc/96/17/01/373961701.db2.gz GZNSWAJMZPDOON-UHFFFAOYSA-N 2 1 253.310 -1.286 20 0 CAADMP C[C@H](O)C[NH+]1CCN(C(=O)NCCN2CC[NH2+]CC2)CC1 ZINC000630343562 373908240 /nfs/dbraw/zinc/90/82/40/373908240.db2.gz CMWZGDGVAGDGHY-ZDUSSCGKSA-N 2 1 299.419 -1.400 20 0 CAADMP C[NH2+][C@@H](C)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000564470768 373928898 /nfs/dbraw/zinc/92/88/98/373928898.db2.gz MLIXWSJJSOBFKN-JTQLQIEISA-N 2 1 256.350 -1.125 20 0 CAADMP C[C@H]1OCC[NH2+][C@@H]1C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000565550591 373939434 /nfs/dbraw/zinc/93/94/34/373939434.db2.gz SJZPWKCFJAWDIP-DBIOUOCHSA-N 2 1 282.344 -1.866 20 0 CAADMP COCC[N@H+]1CC[C@@H](NC(=O)N2CCN(C)C[C@@H]2C[NH3+])C1 ZINC000578742606 373995637 /nfs/dbraw/zinc/99/56/37/373995637.db2.gz AXYDALOIPWHJMB-OLZOCXBDSA-N 2 1 299.419 -1.009 20 0 CAADMP CN(C)c1[nH+]cc(CNC(=O)C(=O)N(C)CCC[NH3+])n1C ZINC000579260299 374000966 /nfs/dbraw/zinc/00/09/66/374000966.db2.gz KWVSCQKOGWHOQZ-UHFFFAOYSA-N 2 1 296.375 -1.091 20 0 CAADMP O=C(COC1C[NH2+]C1)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000573089217 373979212 /nfs/dbraw/zinc/97/92/12/373979212.db2.gz IKAWDJNLAXJLRL-LLVKDONJSA-N 2 1 296.371 -1.602 20 0 CAADMP NC(=O)C[N@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000573121434 373980398 /nfs/dbraw/zinc/98/03/98/373980398.db2.gz BLDQOVFFPATILQ-JTQLQIEISA-N 2 1 254.334 -1.385 20 0 CAADMP COCC[NH+](C)C[C@H](O)CN1CC[N@H+](CCO)[C@@H](C)C1 ZINC000573622106 373982315 /nfs/dbraw/zinc/98/23/15/373982315.db2.gz XOWLWFIJTQAXNR-KBPBESRZSA-N 2 1 289.420 -1.076 20 0 CAADMP COCC[NH+](C)C[C@H](O)CN1CC[N@@H+](CCO)[C@@H](C)C1 ZINC000573622106 373982319 /nfs/dbraw/zinc/98/23/19/373982319.db2.gz XOWLWFIJTQAXNR-KBPBESRZSA-N 2 1 289.420 -1.076 20 0 CAADMP CC(C)[C@H]1CN(C(=O)C(=O)NC2C[NH2+]C2)CC[N@@H+]1C ZINC000573701854 373982474 /nfs/dbraw/zinc/98/24/74/373982474.db2.gz KEIGPXDPYBNDPZ-LLVKDONJSA-N 2 1 268.361 -1.127 20 0 CAADMP CC(C)[C@H]1CN(C(=O)C(=O)NC2C[NH2+]C2)CC[N@H+]1C ZINC000573701854 373982481 /nfs/dbraw/zinc/98/24/81/373982481.db2.gz KEIGPXDPYBNDPZ-LLVKDONJSA-N 2 1 268.361 -1.127 20 0 CAADMP CC[C@H](O)C[NH+]1CCN(C(=O)C(=O)N[C@H]2CC[NH2+]C2)CC1 ZINC000577867873 373987101 /nfs/dbraw/zinc/98/71/01/373987101.db2.gz FMHOSYFCEJRJIK-RYUDHWBXSA-N 2 1 298.387 -1.620 20 0 CAADMP [NH3+]C[C@H]1CN(CCC(=O)N2CCNCC2)CCO1 ZINC000578132763 373990770 /nfs/dbraw/zinc/99/07/70/373990770.db2.gz WCFOFHHGZTXRBW-NSHDSACASA-N 3 1 256.350 -1.532 20 0 CAADMP CC[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2C[NH2+]CCO2)C1 ZINC000578236296 373991397 /nfs/dbraw/zinc/99/13/97/373991397.db2.gz IHSLJSIFFJUFQD-QWRGUYRKSA-N 2 1 257.334 -1.188 20 0 CAADMP CC[NH+]1CCC(NC(=O)C[NH+](CCO)CCO)CC1 ZINC000072939785 374040241 /nfs/dbraw/zinc/04/02/41/374040241.db2.gz XCJKTJMMSKBCRX-UHFFFAOYSA-N 2 1 273.377 -1.127 20 0 CAADMP CCN(CC[NH3+])C(=O)C(=O)NCc1c[nH+]c(N(C)C)n1C ZINC000627294681 374050332 /nfs/dbraw/zinc/05/03/32/374050332.db2.gz HKEXXGFZAMBNNH-UHFFFAOYSA-N 2 1 296.375 -1.091 20 0 CAADMP COCC[N@H+](C)CCNC(=O)CN1CC[NH+](C)CC1 ZINC000111596669 374066661 /nfs/dbraw/zinc/06/66/61/374066661.db2.gz SXFMAXMVBBZBRJ-UHFFFAOYSA-N 2 1 272.393 -1.072 20 0 CAADMP COCC[N@@H+](C)CCNC(=O)CN1CC[NH+](C)CC1 ZINC000111596669 374066666 /nfs/dbraw/zinc/06/66/66/374066666.db2.gz SXFMAXMVBBZBRJ-UHFFFAOYSA-N 2 1 272.393 -1.072 20 0 CAADMP C[N@@H+](CCNC(=O)C(=O)N[C@@H]1CC[NH2+]C1)C1CC1 ZINC000627319574 374071282 /nfs/dbraw/zinc/07/12/82/374071282.db2.gz YICIRKXJTCWVEI-SECBINFHSA-N 2 1 254.334 -1.325 20 0 CAADMP C[NH2+]CCOCCNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000627325263 374073807 /nfs/dbraw/zinc/07/38/07/374073807.db2.gz DBYXBLRAMAGHKS-LLVKDONJSA-N 2 1 298.387 -1.309 20 0 CAADMP CN(CCOCC[NH3+])C(=O)C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000627325220 374074472 /nfs/dbraw/zinc/07/44/72/374074472.db2.gz BZXYCYCPLPMFKF-LLVKDONJSA-N 2 1 298.387 -1.227 20 0 CAADMP O=C(NC[C@@H]1COCC[NH2+]1)C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000627325758 374074843 /nfs/dbraw/zinc/07/48/43/374074843.db2.gz TUUHIHPNHDNFBG-GHMZBOCLSA-N 2 1 296.371 -1.556 20 0 CAADMP O=C(NC[C@H]1COCC[NH2+]1)C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000627325759 374075393 /nfs/dbraw/zinc/07/53/93/374075393.db2.gz TUUHIHPNHDNFBG-MNOVXSKESA-N 2 1 296.371 -1.556 20 0 CAADMP Nc1nc(NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)nc(N)[nH+]1 ZINC000624256207 374111926 /nfs/dbraw/zinc/11/19/26/374111926.db2.gz GNVLWQLULLRTTH-OCAPTIKFSA-N 2 1 265.321 -1.606 20 0 CAADMP C[C@H](NC(=O)C(=O)N[C@@H]1CC[NH2+]C1)[C@H]1C[N@H+](C)CCO1 ZINC000627355972 374115607 /nfs/dbraw/zinc/11/56/07/374115607.db2.gz VIBTUBHNZYBZEE-HBNTYKKESA-N 2 1 284.360 -1.700 20 0 CAADMP C[C@H](NC(=O)C(=O)N[C@@H]1CC[NH2+]C1)[C@H]1C[N@@H+](C)CCO1 ZINC000627355972 374115611 /nfs/dbraw/zinc/11/56/11/374115611.db2.gz VIBTUBHNZYBZEE-HBNTYKKESA-N 2 1 284.360 -1.700 20 0 CAADMP C[C@H](CNC(=O)C(=O)NC[C@@H]1COCC[NH2+]1)[N@@H+](C)C1CC1 ZINC000627372747 374115690 /nfs/dbraw/zinc/11/56/90/374115690.db2.gz WDFQOBNSROXWBP-GHMZBOCLSA-N 2 1 298.387 -1.310 20 0 CAADMP C[C@H](NC(=O)C(=O)N[C@@H]1CC[NH2+][C@H]1C)[C@H]1C[N@H+](C)CCO1 ZINC000627355604 374115845 /nfs/dbraw/zinc/11/58/45/374115845.db2.gz LDICJHMZDIIQOS-NNYUYHANSA-N 2 1 298.387 -1.312 20 0 CAADMP C[C@H](NC(=O)C(=O)N[C@@H]1CC[NH2+][C@H]1C)[C@H]1C[N@@H+](C)CCO1 ZINC000627355604 374115850 /nfs/dbraw/zinc/11/58/50/374115850.db2.gz LDICJHMZDIIQOS-NNYUYHANSA-N 2 1 298.387 -1.312 20 0 CAADMP C[C@@H](NC(=O)C(=O)N[C@@H]1CC[NH2+][C@H]1C)[C@@H]1C[N@H+](C)CCO1 ZINC000627355605 374116314 /nfs/dbraw/zinc/11/63/14/374116314.db2.gz LDICJHMZDIIQOS-QCNOEVLYSA-N 2 1 298.387 -1.312 20 0 CAADMP C[C@@H](NC(=O)C(=O)N[C@@H]1CC[NH2+][C@H]1C)[C@@H]1C[N@@H+](C)CCO1 ZINC000627355605 374116321 /nfs/dbraw/zinc/11/63/21/374116321.db2.gz LDICJHMZDIIQOS-QCNOEVLYSA-N 2 1 298.387 -1.312 20 0 CAADMP CC[N@@H+](CCNC(=O)C(=O)NC[C@@H]1COCC[NH2+]1)C1CC1 ZINC000627365282 374116770 /nfs/dbraw/zinc/11/67/70/374116770.db2.gz KPDRSPUSHSWVCD-LLVKDONJSA-N 2 1 298.387 -1.309 20 0 CAADMP C[C@@H](CNC(=O)C(=O)NC[C@@H]1COCC[NH2+]1)[N@@H+](C)C1CC1 ZINC000627372750 374116825 /nfs/dbraw/zinc/11/68/25/374116825.db2.gz WDFQOBNSROXWBP-WDEREUQCSA-N 2 1 298.387 -1.310 20 0 CAADMP C[C@@H](NC(=O)C(=O)N[C@@H]1CC[NH2+]C1)[C@H]1C[N@H+](C)CCO1 ZINC000627355971 374117017 /nfs/dbraw/zinc/11/70/17/374117017.db2.gz VIBTUBHNZYBZEE-GMTAPVOTSA-N 2 1 284.360 -1.700 20 0 CAADMP C[C@@H](NC(=O)C(=O)N[C@@H]1CC[NH2+]C1)[C@H]1C[N@@H+](C)CCO1 ZINC000627355971 374117029 /nfs/dbraw/zinc/11/70/29/374117029.db2.gz VIBTUBHNZYBZEE-GMTAPVOTSA-N 2 1 284.360 -1.700 20 0 CAADMP COCC[N@H+]1CC[C@H](NC(=O)C(=O)N[C@@H]2CC[NH2+]C2)C1 ZINC000627386265 374118127 /nfs/dbraw/zinc/11/81/27/374118127.db2.gz KNRCFFJMYFJAEO-MNOVXSKESA-N 2 1 284.360 -1.699 20 0 CAADMP CCN(CC[NH3+])C(=O)C(=O)NCCC[NH+]1CCOCC1 ZINC000627390491 374118891 /nfs/dbraw/zinc/11/88/91/374118891.db2.gz NKYIWJFMGIILLM-UHFFFAOYSA-N 2 1 286.376 -1.368 20 0 CAADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)NC[C@H]2COCC[NH2+]2)C1 ZINC000627429057 374122421 /nfs/dbraw/zinc/12/24/21/374122421.db2.gz WPJLMATUZPPYJX-RYUDHWBXSA-N 2 1 298.387 -1.309 20 0 CAADMP C[N@H+]1CCC[C@H](NC(=O)C(=O)NCC2([NH3+])CCOCC2)C1 ZINC000627452084 374125025 /nfs/dbraw/zinc/12/50/25/374125025.db2.gz AFUWSECOIITSCH-NSHDSACASA-N 2 1 298.387 -1.179 20 0 CAADMP CN(C[C@@H]1CCC[N@H+]1C)C(=O)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000627475867 374130236 /nfs/dbraw/zinc/13/02/36/374130236.db2.gz WEWOCFCIFRHICD-NEPJUHHUSA-N 2 1 298.387 -1.356 20 0 CAADMP CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000627473632 374131969 /nfs/dbraw/zinc/13/19/69/374131969.db2.gz RPMJDRJTVWQKFL-VXGBXAGGSA-N 2 1 298.387 -1.309 20 0 CAADMP Nc1nc(N2CCC[N@@H+](CCO)CC2)nc(N)[nH+]1 ZINC000623941215 374093800 /nfs/dbraw/zinc/09/38/00/374093800.db2.gz MKJRKXZXWBWJLU-UHFFFAOYSA-N 2 1 253.310 -1.799 20 0 CAADMP C[N@H+]1CCC[C@H](NC(=O)C(=O)NCCOCCC[NH3+])C1 ZINC000627488836 374133599 /nfs/dbraw/zinc/13/35/99/374133599.db2.gz KAOMYQMWNZWOIA-NSHDSACASA-N 2 1 286.376 -1.322 20 0 CAADMP Nc1nc(N[C@@H]2CCC[N@@H+](CCCO)C2)nc(N)[nH+]1 ZINC000624249108 374108077 /nfs/dbraw/zinc/10/80/77/374108077.db2.gz UKSYQEYRXKWPBE-MRVPVSSYSA-N 2 1 267.337 -1.623 20 0 CAADMP Nc1nc(NC[C@H]2CCC[N@H+]2CCCO)nc(N)[nH+]1 ZINC000624248525 374108435 /nfs/dbraw/zinc/10/84/35/374108435.db2.gz QTFAKDQMVVUNLL-MRVPVSSYSA-N 2 1 267.337 -1.623 20 0 CAADMP Nc1nc(NC[C@@H]2CCCC[N@H+]2CCO)nc(N)[nH+]1 ZINC000624248875 374108514 /nfs/dbraw/zinc/10/85/14/374108514.db2.gz HNSLAVFOKIPZGT-QMMMGPOBSA-N 2 1 267.337 -1.623 20 0 CAADMP CC(C)(O)C[NH+]1CCN(C(=O)C(=O)N[C@@H]2CC[NH2+]C2)CC1 ZINC000627505336 374137337 /nfs/dbraw/zinc/13/73/37/374137337.db2.gz JDUWLUDRPXYPIZ-LLVKDONJSA-N 2 1 298.387 -1.620 20 0 CAADMP C[C@@H]1C[NH2+]CCN1S(=O)(=O)C[C@@H]1C[NH2+]CCO1 ZINC000631902340 374150935 /nfs/dbraw/zinc/15/09/35/374150935.db2.gz IGGFHNSWYNSXJJ-ZJUUUORDSA-N 2 1 263.363 -1.402 20 0 CAADMP C[C@H]1CN(S(=O)(=O)C[C@H]2C[NH2+]CCO2)CC[NH2+]1 ZINC000631904155 374150978 /nfs/dbraw/zinc/15/09/78/374150978.db2.gz GEGKJUYQCPHWES-VHSXEESVSA-N 2 1 263.363 -1.402 20 0 CAADMP C[C@H]1C[NH2+]CCN1S(=O)(=O)C[C@@H]1C[NH2+]CCO1 ZINC000631902338 374151499 /nfs/dbraw/zinc/15/14/99/374151499.db2.gz IGGFHNSWYNSXJJ-UWVGGRQHSA-N 2 1 263.363 -1.402 20 0 CAADMP [NH3+]CC[C@H](NS(=O)(=O)C[C@H]1C[NH2+]CCO1)C(F)F ZINC000631942928 374156319 /nfs/dbraw/zinc/15/63/19/374156319.db2.gz JCZINRYEJHOSAU-SFYZADRCSA-N 2 1 287.332 -1.123 20 0 CAADMP C[NH+](C)CCOCC(=O)N1CC[C@@H]([N@H+](C)CC(N)=O)C1 ZINC001193487530 781970530 /nfs/dbraw/zinc/97/05/30/781970530.db2.gz AUGGXADTRBVIQW-LLVKDONJSA-N 2 1 286.376 -1.417 20 0 CAADMP C[NH+](C)CCOCC(=O)N1CC[C@@H]([N@@H+](C)CC(N)=O)C1 ZINC001193487530 781970540 /nfs/dbraw/zinc/97/05/40/781970540.db2.gz AUGGXADTRBVIQW-LLVKDONJSA-N 2 1 286.376 -1.417 20 0 CAADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN([C@@H]2COC[C@H]2O)CC1 ZINC000574735230 335043344 /nfs/dbraw/zinc/04/33/44/335043344.db2.gz UFTUVMLLKHGHTP-JHJVBQTASA-N 2 1 283.372 -1.016 20 0 CAADMP CC[NH+](CC)C[C@H](F)C(=O)N[C@@H]1C[N@H+](CCO)C[C@H]1O ZINC001193456870 781972451 /nfs/dbraw/zinc/97/24/51/781972451.db2.gz YCDAKDCKCAUOFH-QJPTWQEYSA-N 2 1 291.367 -1.180 20 0 CAADMP CC[NH+](CC)C[C@H](F)C(=O)N[C@@H]1C[N@@H+](CCO)C[C@H]1O ZINC001193456870 781972458 /nfs/dbraw/zinc/97/24/58/781972458.db2.gz YCDAKDCKCAUOFH-QJPTWQEYSA-N 2 1 291.367 -1.180 20 0 CAADMP CN(CC(=O)N1CC[NH+](C)CC1)[C@]1(CO)CCOC1 ZINC000329654879 252094600 /nfs/dbraw/zinc/09/46/00/252094600.db2.gz LVENIKYXXOYCTG-ZDUSSCGKSA-N 2 1 271.361 -1.156 20 0 CAADMP C[C@H](C(=O)NC(N)=O)[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000063180359 252077682 /nfs/dbraw/zinc/07/76/82/252077682.db2.gz FHEPOWHMIPZKDY-BDAKNGLRSA-N 2 1 285.348 -1.643 20 0 CAADMP CCNC(=O)NC(=O)C[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000063180493 252077759 /nfs/dbraw/zinc/07/77/59/252077759.db2.gz CBVJUXCYBZCVQN-SNVBAGLBSA-N 2 1 299.375 -1.381 20 0 CAADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](CCN2C(=O)CCC2=O)C1 ZINC000063180447 252077956 /nfs/dbraw/zinc/07/79/56/252077956.db2.gz RNNIHCVQRUZFBP-LLVKDONJSA-N 2 1 296.371 -1.078 20 0 CAADMP CNC(=O)NC(=O)CC[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000063180453 252078640 /nfs/dbraw/zinc/07/86/40/252078640.db2.gz ZPDHIHVNHAKMBM-SNVBAGLBSA-N 2 1 299.375 -1.381 20 0 CAADMP CNC(=O)NC(=O)C[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000063179842 252078919 /nfs/dbraw/zinc/07/89/19/252078919.db2.gz GAAZWDNXEVSUCF-VIFPVBQESA-N 2 1 285.348 -1.771 20 0 CAADMP CS(=O)(=O)N[C@H]1CC[N@@H+](CCOCC[NH3+])C1 ZINC000357089902 252145313 /nfs/dbraw/zinc/14/53/13/252145313.db2.gz ZTIMSYXUSROBBY-VIFPVBQESA-N 2 1 251.352 -1.415 20 0 CAADMP CS(=O)(=O)N1CCC[N@H+](CCOCC[NH3+])CC1 ZINC000357035033 252145475 /nfs/dbraw/zinc/14/54/75/252145475.db2.gz VLKTXJJUZFVTEL-UHFFFAOYSA-N 2 1 265.379 -1.071 20 0 CAADMP CS(=O)(=O)N1CCC[N@@H+](CCOCC[NH3+])CC1 ZINC000357035033 252145479 /nfs/dbraw/zinc/14/54/79/252145479.db2.gz VLKTXJJUZFVTEL-UHFFFAOYSA-N 2 1 265.379 -1.071 20 0 CAADMP CNS(=O)(=O)C[C@@H]1CCC[N@H+]1CCOCC[NH3+] ZINC000357074356 252145711 /nfs/dbraw/zinc/14/57/11/252145711.db2.gz GNPXEPQOCJCXJT-JTQLQIEISA-N 2 1 265.379 -1.025 20 0 CAADMP O=C(CCNC(=O)[C@H]1CCC[NH2+]1)N1CC[NH+](CCO)CC1 ZINC000357234470 252147208 /nfs/dbraw/zinc/14/72/08/252147208.db2.gz AELMKKZPCOAHQY-GFCCVEGCSA-N 2 1 298.387 -1.619 20 0 CAADMP COC[C@@]1(CNC(=O)[C@@H]2COCC[NH2+]2)CCC[NH2+]1 ZINC000357272537 252148420 /nfs/dbraw/zinc/14/84/20/252148420.db2.gz MQHFWICZLOZOHS-JQWIXIFHSA-N 2 1 257.334 -1.140 20 0 CAADMP C[C@H](CC[NH+]1CCOCC1)NC(=O)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000357926264 252153777 /nfs/dbraw/zinc/15/37/77/252153777.db2.gz QAHUDSQYWIGARZ-UTUOFQBUSA-N 2 1 271.361 -1.064 20 0 CAADMP COCC[N@@H+](C)CCCNC(=O)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000357928970 252154086 /nfs/dbraw/zinc/15/40/86/252154086.db2.gz MUBNJWZGSFTBMF-QWRGUYRKSA-N 2 1 259.350 -1.206 20 0 CAADMP C[N@@H+]1CC[C@@](O)(CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC000358060563 252155618 /nfs/dbraw/zinc/15/56/18/252155618.db2.gz FHOFZLBCTYMPLD-CMPLNLGQSA-N 2 1 257.334 -1.500 20 0 CAADMP C[N@H+]1CC[C@@](O)(CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC000358060563 252155621 /nfs/dbraw/zinc/15/56/21/252155621.db2.gz FHOFZLBCTYMPLD-CMPLNLGQSA-N 2 1 257.334 -1.500 20 0 CAADMP C[NH+]1CC[C@@](O)(CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000358060563 252155625 /nfs/dbraw/zinc/15/56/25/252155625.db2.gz FHOFZLBCTYMPLD-CMPLNLGQSA-N 2 1 257.334 -1.500 20 0 CAADMP C[NH+]1CC[C@@](O)(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000358060563 252155629 /nfs/dbraw/zinc/15/56/29/252155629.db2.gz FHOFZLBCTYMPLD-CMPLNLGQSA-N 2 1 257.334 -1.500 20 0 CAADMP Cn1cc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c(=O)n(C)c1=O ZINC000359457177 252161438 /nfs/dbraw/zinc/16/14/38/252161438.db2.gz HWRIZXVMLNIAOC-AOOOYVTPSA-N 2 1 264.329 -1.265 20 0 CAADMP CC(C)Nc1nc(N(C)CC[NH+](C)C)nc(NCCO)[nH+]1 ZINC000342785434 252129348 /nfs/dbraw/zinc/12/93/48/252129348.db2.gz JTCNRYWOEQLBCU-UHFFFAOYSA-N 2 1 297.407 -1.062 20 0 CAADMP COCC[N@H+]1CC[C@@H](NC(=O)[C@H]2C[NH2+]CCO2)C1 ZINC000372500746 252196245 /nfs/dbraw/zinc/19/62/45/252196245.db2.gz DTBJLSLTMUHLEO-GHMZBOCLSA-N 2 1 257.334 -1.188 20 0 CAADMP C[C@@H]1CN(C(=O)[C@H]2C[N@H+]3CCN2CCC3)CCN1CCO ZINC000373545189 252197278 /nfs/dbraw/zinc/19/72/78/252197278.db2.gz KVVWDCTTXOOZJG-ZIAGYGMSSA-N 2 1 296.415 -1.099 20 0 CAADMP C[C@@H]1CN(C(=O)[C@H]2C[NH+]3CCN2CCC3)CC[N@@H+]1CCO ZINC000373545189 252197283 /nfs/dbraw/zinc/19/72/83/252197283.db2.gz KVVWDCTTXOOZJG-ZIAGYGMSSA-N 2 1 296.415 -1.099 20 0 CAADMP C[C@@H]1CN(C(=O)[C@H]2C[NH+]3CCN2CCC3)CC[N@H+]1CCO ZINC000373545189 252197286 /nfs/dbraw/zinc/19/72/86/252197286.db2.gz KVVWDCTTXOOZJG-ZIAGYGMSSA-N 2 1 296.415 -1.099 20 0 CAADMP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+]3CCN2CCC3)CC[NH+]1CCO ZINC000373545189 252197291 /nfs/dbraw/zinc/19/72/91/252197291.db2.gz KVVWDCTTXOOZJG-ZIAGYGMSSA-N 2 1 296.415 -1.099 20 0 CAADMP C[C@H]1CN(C(=O)[C@@H]2C[N@H+]3CCN2CCC3)CCN1CCO ZINC000373545168 252197831 /nfs/dbraw/zinc/19/78/31/252197831.db2.gz KVVWDCTTXOOZJG-KBPBESRZSA-N 2 1 296.415 -1.099 20 0 CAADMP C[C@H]1CN(C(=O)[C@@H]2C[NH+]3CCN2CCC3)CC[N@@H+]1CCO ZINC000373545168 252197832 /nfs/dbraw/zinc/19/78/32/252197832.db2.gz KVVWDCTTXOOZJG-KBPBESRZSA-N 2 1 296.415 -1.099 20 0 CAADMP C[C@H]1CN(C(=O)[C@@H]2C[NH+]3CCN2CCC3)CC[N@H+]1CCO ZINC000373545168 252197835 /nfs/dbraw/zinc/19/78/35/252197835.db2.gz KVVWDCTTXOOZJG-KBPBESRZSA-N 2 1 296.415 -1.099 20 0 CAADMP C[C@H]1CN(C(=O)[C@@H]2C[N@@H+]3CCN2CCC3)CC[NH+]1CCO ZINC000373545168 252197836 /nfs/dbraw/zinc/19/78/36/252197836.db2.gz KVVWDCTTXOOZJG-KBPBESRZSA-N 2 1 296.415 -1.099 20 0 CAADMP C[NH+](C)C[C@@](C)(O)CNC(=O)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000378307824 252207777 /nfs/dbraw/zinc/20/77/77/252207777.db2.gz QHENGAVCZYQORR-JSGCOSHPSA-N 2 1 284.404 -1.195 20 0 CAADMP COCC[N@@H+]1CCN(C(=O)CNC(=O)C[NH3+])C[C@@H]1C ZINC000125230132 532950549 /nfs/dbraw/zinc/95/05/49/532950549.db2.gz ORDRMSLYCFRMIC-JTQLQIEISA-N 2 1 272.349 -1.760 20 0 CAADMP COCC[N@H+]1CCN(C(=O)CNC(=O)C[NH3+])C[C@@H]1C ZINC000125230132 532950550 /nfs/dbraw/zinc/95/05/50/532950550.db2.gz ORDRMSLYCFRMIC-JTQLQIEISA-N 2 1 272.349 -1.760 20 0 CAADMP [NH3+]CCOCC[N@H+]1CCC[C@@H](N2CCNCC2=O)C1 ZINC000516468607 252255446 /nfs/dbraw/zinc/25/54/46/252255446.db2.gz ZZTPSJMJIFXWMJ-GFCCVEGCSA-N 2 1 270.377 -1.142 20 0 CAADMP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CC[NH2+]C[C@@H]2C)C1 ZINC000419727457 532975756 /nfs/dbraw/zinc/97/57/56/532975756.db2.gz LJGVKCWLMLQHDC-NWDGAFQWSA-N 2 1 298.387 -1.356 20 0 CAADMP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CC[NH2+]C[C@H]2C)C1 ZINC000419727459 532975186 /nfs/dbraw/zinc/97/51/86/532975186.db2.gz LJGVKCWLMLQHDC-VXGBXAGGSA-N 2 1 298.387 -1.356 20 0 CAADMP COCC(=O)N1CC[NH+](CCC(=O)N2CC[NH2+]CC2)CC1 ZINC000262100574 533060428 /nfs/dbraw/zinc/06/04/28/533060428.db2.gz MAJQBYISGIZPKO-UHFFFAOYSA-N 2 1 298.387 -1.401 20 0 CAADMP C[NH+](C)C1(C(=O)N[C@@H]2C[N@@H+](CCO)C[C@H]2O)CCC1 ZINC001193774597 781978020 /nfs/dbraw/zinc/97/80/20/781978020.db2.gz QCPHMUSNLJIFLL-GHMZBOCLSA-N 2 1 271.361 -1.376 20 0 CAADMP C[NH+](C)C1(C(=O)N[C@@H]2C[N@H+](CCO)C[C@H]2O)CCC1 ZINC001193774597 781978014 /nfs/dbraw/zinc/97/80/14/781978014.db2.gz QCPHMUSNLJIFLL-GHMZBOCLSA-N 2 1 271.361 -1.376 20 0 CAADMP CC[C@H](C(=O)N[C@@H]1C[N@@H+](CCCO)C[C@H]1O)[NH+](C)C ZINC001194095914 781984370 /nfs/dbraw/zinc/98/43/70/781984370.db2.gz VSYYVWIZEYIKQQ-IJLUTSLNSA-N 2 1 273.377 -1.130 20 0 CAADMP COCC[N@@H+](C)CCCNC(=O)CNC(=O)C[NH3+] ZINC000347652585 533311215 /nfs/dbraw/zinc/31/12/15/533311215.db2.gz JUVXVLJJHRCWJX-UHFFFAOYSA-N 2 1 260.338 -1.854 20 0 CAADMP C[C@@H]1C[C@@H](NC(=O)CNC(=O)C[NH3+])C[N@H+]1C1CC1 ZINC000347662788 533604476 /nfs/dbraw/zinc/60/44/76/533604476.db2.gz FCBXRIHLLVHBBR-RKDXNWHRSA-N 2 1 254.334 -1.197 20 0 CAADMP C[C@@H](O)C[N@H+](CCO)CCC(=O)N1CC[NH+](C)CC1 ZINC000351949303 533657522 /nfs/dbraw/zinc/65/75/22/533657522.db2.gz NYPACXGRDGZPIP-GFCCVEGCSA-N 2 1 273.377 -1.174 20 0 CAADMP C[C@@H](O)C[N@@H+](CCO)CCC(=O)N1CC[NH+](C)CC1 ZINC000351949303 533657531 /nfs/dbraw/zinc/65/75/31/533657531.db2.gz NYPACXGRDGZPIP-GFCCVEGCSA-N 2 1 273.377 -1.174 20 0 CAADMP CC[N@@H+](C)CCNc1nc(NCCO)[nH+]c(NC(C)C)n1 ZINC000341801194 130038886 /nfs/dbraw/zinc/03/88/86/130038886.db2.gz TVQSWENDWBXGHF-UHFFFAOYSA-N 2 1 297.407 -1.275 20 0 CAADMP C[NH+](C)CC1(C(=O)N[C@@H]2C[N@@H+](CCCO)C[C@H]2O)CC1 ZINC001195676545 782011118 /nfs/dbraw/zinc/01/11/18/782011118.db2.gz GBIVPZDJPAIEEI-VXGBXAGGSA-N 2 1 285.388 -1.128 20 0 CAADMP [NH3+]CCOCC(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000646974836 409328684 /nfs/dbraw/zinc/32/86/84/409328684.db2.gz BCBDFEYLJDSFQK-LLVKDONJSA-N 2 1 284.360 -1.616 20 0 CAADMP [NH3+]CCOCC(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000646974837 409329264 /nfs/dbraw/zinc/32/92/64/409329264.db2.gz BCBDFEYLJDSFQK-NSHDSACASA-N 2 1 284.360 -1.616 20 0 CAADMP C[C@@H]1[C@H](C(=O)NCC(=O)N2CC[NH2+]CC2)CC[N@H+]1C ZINC000647690359 409384252 /nfs/dbraw/zinc/38/42/52/409384252.db2.gz HTZRBXXGEUYDNE-GHMZBOCLSA-N 2 1 268.361 -1.125 20 0 CAADMP C[C@@H]([NH3+])CC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000647092169 409330507 /nfs/dbraw/zinc/33/05/07/409330507.db2.gz NLRKYALKNRVTPC-SECBINFHSA-N 2 1 290.389 -1.831 20 0 CAADMP CN1CC[NH+](CCCNC(=O)[C@]23C[NH2+]C[C@H]2COC3)CC1 ZINC000653124165 409331774 /nfs/dbraw/zinc/33/17/74/409331774.db2.gz SBQVHBGXQMEWTL-ZFWWWQNUSA-N 2 1 296.415 -1.024 20 0 CAADMP COCC[N@@H+](C)CCNC(=O)[C@@H](N)CC[NH+](C)C ZINC000653114653 409332739 /nfs/dbraw/zinc/33/27/39/409332739.db2.gz QPCVBFLLZSMYDK-NSHDSACASA-N 2 1 260.382 -1.040 20 0 CAADMP C[C@H](CNC(=O)C1(O)C[NH2+]C1)C[NH+]1CCOCC1 ZINC000662700448 409332889 /nfs/dbraw/zinc/33/28/89/409332889.db2.gz IHIHOCVNZDWIBS-SNVBAGLBSA-N 2 1 257.334 -1.595 20 0 CAADMP CC[N@@H+]1CCO[C@@H](C(=O)N2CC[NH+]3C[C@H](O)C[C@H]3C2)C1 ZINC000655296752 409333753 /nfs/dbraw/zinc/33/37/53/409333753.db2.gz UFYKMVVGEIJJOH-YNEHKIRRSA-N 2 1 283.372 -1.016 20 0 CAADMP CC[N@H+]1CCO[C@@H](C(=O)N2CC[NH+]3C[C@H](O)C[C@H]3C2)C1 ZINC000655296752 409333756 /nfs/dbraw/zinc/33/37/56/409333756.db2.gz UFYKMVVGEIJJOH-YNEHKIRRSA-N 2 1 283.372 -1.016 20 0 CAADMP CC[NH+]1CCO[C@@H](C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)C1 ZINC000655296752 409333759 /nfs/dbraw/zinc/33/37/59/409333759.db2.gz UFYKMVVGEIJJOH-YNEHKIRRSA-N 2 1 283.372 -1.016 20 0 CAADMP CC[NH+]1CCO[C@@H](C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)C1 ZINC000655296752 409333764 /nfs/dbraw/zinc/33/37/64/409333764.db2.gz UFYKMVVGEIJJOH-YNEHKIRRSA-N 2 1 283.372 -1.016 20 0 CAADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653125348 409333811 /nfs/dbraw/zinc/33/38/11/409333811.db2.gz WSQQZXFITJVTQV-OBJOEFQTSA-N 2 1 282.388 -1.416 20 0 CAADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653125353 409333844 /nfs/dbraw/zinc/33/38/44/409333844.db2.gz WSQQZXFITJVTQV-SCRDCRAPSA-N 2 1 282.388 -1.416 20 0 CAADMP CN(CCC[NH3+])C(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000662965393 409338239 /nfs/dbraw/zinc/33/82/39/409338239.db2.gz JLTSCYNEWZRUFH-WDEREUQCSA-N 2 1 284.360 -1.929 20 0 CAADMP [NH3+]CC(=O)NCC(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000037799611 409344694 /nfs/dbraw/zinc/34/46/94/409344694.db2.gz HERVXCCEVLUUEP-NSHDSACASA-N 2 1 284.360 -1.616 20 0 CAADMP C[NH+](C)C[C@](C)(O)CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000153465950 409345099 /nfs/dbraw/zinc/34/50/99/409345099.db2.gz IISQYPRLRPSEIU-CMPLNLGQSA-N 2 1 259.350 -1.254 20 0 CAADMP C[NH+](C)C[C@](C)(O)CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000153465950 409345101 /nfs/dbraw/zinc/34/51/01/409345101.db2.gz IISQYPRLRPSEIU-CMPLNLGQSA-N 2 1 259.350 -1.254 20 0 CAADMP CO[C@H](C[NH3+])C(=O)N1CC[N@H+](C[C@H](C)O)[C@H](C)C1 ZINC000353425326 409459611 /nfs/dbraw/zinc/45/96/11/409459611.db2.gz HCCYIKVEMTYEDG-OUAUKWLOSA-N 2 1 259.350 -1.126 20 0 CAADMP CO[C@H](C[NH3+])C(=O)N1CC[N@@H+](C[C@H](C)O)[C@H](C)C1 ZINC000353425326 409459618 /nfs/dbraw/zinc/45/96/18/409459618.db2.gz HCCYIKVEMTYEDG-OUAUKWLOSA-N 2 1 259.350 -1.126 20 0 CAADMP C[N@@H+](CCN1C(=O)CNC1=O)CCN1CC[NH2+]CC1 ZINC000071150315 409402786 /nfs/dbraw/zinc/40/27/86/409402786.db2.gz IWGCFDVZZHIDBO-UHFFFAOYSA-N 2 1 269.349 -1.625 20 0 CAADMP C[C@H](C(=O)N(C)CCN1CC[NH2+]CC1)N1CC[NH+](C)CC1 ZINC000647778680 409408094 /nfs/dbraw/zinc/40/80/94/409408094.db2.gz UEOWMAIDGBNKMY-CQSZACIVSA-N 2 1 297.447 -1.014 20 0 CAADMP CCN1C(=O)[C@H]2C[N@@H+](CCOCC[NH3+])CCN2C1=O ZINC000647891543 409414076 /nfs/dbraw/zinc/41/40/76/409414076.db2.gz OSKKRQULWOYCDB-SNVBAGLBSA-N 2 1 270.333 -1.070 20 0 CAADMP CS(=O)(=O)N[C@H]1CCC[N@@H+](CCN2CC[NH2+]CC2)C1 ZINC000647876899 409415617 /nfs/dbraw/zinc/41/56/17/409415617.db2.gz CHAXESNSSRYDKD-LBPRGKRZSA-N 2 1 290.433 -1.095 20 0 CAADMP CS(=O)(=O)N[C@H]1CCC[N@H+](CCOCC[NH3+])C1 ZINC000647877180 409415743 /nfs/dbraw/zinc/41/57/43/409415743.db2.gz KFVHGIHTFCYTTG-JTQLQIEISA-N 2 1 265.379 -1.025 20 0 CAADMP CS(=O)(=O)N[C@H]1CCC[N@@H+](CCOCC[NH3+])C1 ZINC000647877180 409415745 /nfs/dbraw/zinc/41/57/45/409415745.db2.gz KFVHGIHTFCYTTG-JTQLQIEISA-N 2 1 265.379 -1.025 20 0 CAADMP CCNC(=O)C[N@@H+](C)CCC(=O)N1CC[NH2+]CC1 ZINC000053298849 409424544 /nfs/dbraw/zinc/42/45/44/409424544.db2.gz KNGIJBARLHAYSG-UHFFFAOYSA-N 2 1 256.350 -1.124 20 0 CAADMP C[NH+]1CCN(C(=O)CCNC(=O)CCOC2C[NH2+]C2)CC1 ZINC000348992046 409443009 /nfs/dbraw/zinc/44/30/09/409443009.db2.gz HFCNQFNNEUOLSY-UHFFFAOYSA-N 2 1 298.387 -1.355 20 0 CAADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)CCOC1C[NH2+]C1 ZINC000348986156 409443434 /nfs/dbraw/zinc/44/34/34/409443434.db2.gz BJNMHBUGHJYZRX-LLVKDONJSA-N 2 1 270.377 -1.273 20 0 CAADMP CC[N@@H+](C)C[C@@H](O)CN(C)C[C@H](O)CN1CCOCC1 ZINC000519862508 409446350 /nfs/dbraw/zinc/44/63/50/409446350.db2.gz ZGKJONQEIRDSPE-KGLIPLIRSA-N 2 1 289.420 -1.076 20 0 CAADMP CC[N@@H+](C)C[C@@H](O)CN(C)C[C@@H](O)CN1CCOCC1 ZINC000519862510 409447070 /nfs/dbraw/zinc/44/70/70/409447070.db2.gz ZGKJONQEIRDSPE-ZIAGYGMSSA-N 2 1 289.420 -1.076 20 0 CAADMP O=C([C@H]1[C@@H]2C[NH2+]C[C@@H]21)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000648110694 409466484 /nfs/dbraw/zinc/46/64/84/409466484.db2.gz FAXJKGKXIYKTLR-NMKXLXIOSA-N 2 1 292.383 -1.125 20 0 CAADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)NC2C[NH2+]C2)C1 ZINC000659715392 409472032 /nfs/dbraw/zinc/47/20/32/409472032.db2.gz SZYRXATXSNQKIA-VIFPVBQESA-N 2 1 254.334 -1.325 20 0 CAADMP COCC[N@@H+](C)CCNC(=O)C(=O)N(C)CC(C)(C)[NH3+] ZINC000659696701 409470715 /nfs/dbraw/zinc/47/07/15/409470715.db2.gz OWJMMNAZWJXPMO-UHFFFAOYSA-N 2 1 288.392 -1.124 20 0 CAADMP CN(C(=O)[C@@H]([NH3+])CC(N)=O)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000438882087 409481354 /nfs/dbraw/zinc/48/13/54/409481354.db2.gz HZPBLUJRACKWIS-ZJUUUORDSA-N 2 1 254.334 -1.116 20 0 CAADMP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)NCC[NH3+] ZINC000419824661 409476331 /nfs/dbraw/zinc/47/63/31/409476331.db2.gz ZUHIMQDTFIBQBG-SNVBAGLBSA-N 2 1 256.350 -1.140 20 0 CAADMP CN(C(=O)[C@@H]([NH3+])CC(N)=O)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000438882087 409481357 /nfs/dbraw/zinc/48/13/57/409481357.db2.gz HZPBLUJRACKWIS-ZJUUUORDSA-N 2 1 254.334 -1.116 20 0 CAADMP CC(C)[C@@H]1CN(C(=O)C(=O)NCC[NH3+])CC[N@H+]1C ZINC000419841917 409477156 /nfs/dbraw/zinc/47/71/56/409477156.db2.gz VBMQWYDZOFERQR-JTQLQIEISA-N 2 1 256.350 -1.140 20 0 CAADMP C[N@H+]1CC[C@@H]2OCCN(C(=O)[C@H]3C[NH2+]CCO3)[C@H]2C1 ZINC000424186722 409478985 /nfs/dbraw/zinc/47/89/85/409478985.db2.gz TVUCXPWGTADKGH-SDDRHHMPSA-N 2 1 269.345 -1.094 20 0 CAADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)C1 ZINC000659738128 409474694 /nfs/dbraw/zinc/47/46/94/409474694.db2.gz AGGABRZXPDWZNY-RYUDHWBXSA-N 2 1 298.387 -1.227 20 0 CAADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CCO[C@H](C[NH3+])C2)C1 ZINC000659738127 409474719 /nfs/dbraw/zinc/47/47/19/409474719.db2.gz AGGABRZXPDWZNY-NWDGAFQWSA-N 2 1 298.387 -1.227 20 0 CAADMP CN(C)C(=O)CC[NH+]1CCN(C(=O)COCC[NH3+])CC1 ZINC000646243003 409487825 /nfs/dbraw/zinc/48/78/25/409487825.db2.gz SBGVLGDEHYWKTR-UHFFFAOYSA-N 2 1 286.376 -1.416 20 0 CAADMP C[NH2+]C[C@H](C)NC(=O)C(=O)NCC[N@@H+](C)C1CC1 ZINC000659685113 409560708 /nfs/dbraw/zinc/56/07/08/409560708.db2.gz NXWJHFOXYXMTJS-VIFPVBQESA-N 2 1 256.350 -1.079 20 0 CAADMP C[NH2+]C[C@H](C)NC(=O)C(=O)NCc1c[nH+]c(N(C)C)n1C ZINC000659674820 409561421 /nfs/dbraw/zinc/56/14/21/409561421.db2.gz JQOMUVLNNPAVAC-VIFPVBQESA-N 2 1 296.375 -1.174 20 0 CAADMP C[NH2+]C[C@H](C)NC(=O)C(=O)NCCC[NH+]1CCOCC1 ZINC000659707801 409563278 /nfs/dbraw/zinc/56/32/78/409563278.db2.gz ZFOIIACKMRHBDK-NSHDSACASA-N 2 1 286.376 -1.451 20 0 CAADMP C[C@H](NC(=O)C(=O)N(C)CCC[NH3+])[C@@H]1C[N@H+](C)CCO1 ZINC000659698446 409563904 /nfs/dbraw/zinc/56/39/04/409563904.db2.gz ZWMAJQAVFNYFBD-QWRGUYRKSA-N 2 1 286.376 -1.371 20 0 CAADMP C[C@H](NC(=O)C(=O)N(C)CCC[NH3+])[C@@H]1C[N@@H+](C)CCO1 ZINC000659698446 409563909 /nfs/dbraw/zinc/56/39/09/409563909.db2.gz ZWMAJQAVFNYFBD-QWRGUYRKSA-N 2 1 286.376 -1.371 20 0 CAADMP C[NH2+]C[C@H](C)NC(=O)C(=O)N[C@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC000659697694 409564067 /nfs/dbraw/zinc/56/40/67/409564067.db2.gz UGTLATITXNOEDV-AXFHLTTASA-N 2 1 286.376 -1.454 20 0 CAADMP C[NH2+]C[C@H](C)NC(=O)C(=O)N[C@H](C)[C@@H]1C[N@@H+](C)CCO1 ZINC000659697694 409564077 /nfs/dbraw/zinc/56/40/77/409564077.db2.gz UGTLATITXNOEDV-AXFHLTTASA-N 2 1 286.376 -1.454 20 0 CAADMP C[C@@H](NC(=O)C(=O)N[C@H]1CC[NH2+]C1)[C@H]1C[N@H+](C)CCO1 ZINC000659697768 409565301 /nfs/dbraw/zinc/56/53/01/409565301.db2.gz VIBTUBHNZYBZEE-OUAUKWLOSA-N 2 1 284.360 -1.700 20 0 CAADMP C[C@@H](NC(=O)C(=O)N[C@H]1CC[NH2+]C1)[C@H]1C[N@@H+](C)CCO1 ZINC000659697768 409565308 /nfs/dbraw/zinc/56/53/08/409565308.db2.gz VIBTUBHNZYBZEE-OUAUKWLOSA-N 2 1 284.360 -1.700 20 0 CAADMP C[NH2+]C[C@H](C)NC(=O)C(=O)N[C@H]1CC[N@@H+](CCOC)C1 ZINC000659706387 409565329 /nfs/dbraw/zinc/56/53/29/409565329.db2.gz KEZKMBCVQFXGLT-QWRGUYRKSA-N 2 1 286.376 -1.453 20 0 CAADMP C[C@H](NC(=O)C(=O)N[C@H]1CC[NH2+]C1)[C@@H]1C[N@H+](C)CCO1 ZINC000659697760 409565747 /nfs/dbraw/zinc/56/57/47/409565747.db2.gz VIBTUBHNZYBZEE-DCAQKATOSA-N 2 1 284.360 -1.700 20 0 CAADMP C[C@H](NC(=O)C(=O)N[C@H]1CC[NH2+]C1)[C@@H]1C[N@@H+](C)CCO1 ZINC000659697760 409565759 /nfs/dbraw/zinc/56/57/59/409565759.db2.gz VIBTUBHNZYBZEE-DCAQKATOSA-N 2 1 284.360 -1.700 20 0 CAADMP C[NH2+]C[C@@H](C)NC(=O)C(=O)N[C@H]1CC[N@@H+](CCOC)C1 ZINC000659706386 409566142 /nfs/dbraw/zinc/56/61/42/409566142.db2.gz KEZKMBCVQFXGLT-MNOVXSKESA-N 2 1 286.376 -1.453 20 0 CAADMP C[NH2+]C[C@@H](C)NC(=O)C(=O)N[C@@H]1CC[N@@H+](CCOC)C1 ZINC000659706385 409566698 /nfs/dbraw/zinc/56/66/98/409566698.db2.gz KEZKMBCVQFXGLT-GHMZBOCLSA-N 2 1 286.376 -1.453 20 0 CAADMP C[NH+]1CCN(C(=O)CCNC(=O)COCC[NH3+])CC1 ZINC000649291660 409507875 /nfs/dbraw/zinc/50/78/75/409507875.db2.gz IUALALQLVUGWAX-UHFFFAOYSA-N 2 1 272.349 -1.758 20 0 CAADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)NC[C@@H]2C[NH2+]CCO2)C1 ZINC000659730067 409568019 /nfs/dbraw/zinc/56/80/19/409568019.db2.gz UWGKXZZNUNMQEG-NEPJUHHUSA-N 2 1 298.387 -1.309 20 0 CAADMP CCO[C@@H]1C[N@H+](CCN2C(=O)CNC2=O)C[C@H]1C[NH3+] ZINC000405553003 409512429 /nfs/dbraw/zinc/51/24/29/409512429.db2.gz ZQYVWUCCVWJGCI-NXEZZACHSA-N 2 1 270.333 -1.166 20 0 CAADMP CCO[C@@H]1C[N@@H+](CCN2C(=O)CNC2=O)C[C@H]1C[NH3+] ZINC000405553003 409512430 /nfs/dbraw/zinc/51/24/30/409512430.db2.gz ZQYVWUCCVWJGCI-NXEZZACHSA-N 2 1 270.333 -1.166 20 0 CAADMP C[NH+](C)[C@H]1CN(C(=O)CN2CC[NH+](C)CC2)C[C@@H]1O ZINC000655094482 409516346 /nfs/dbraw/zinc/51/63/46/409516346.db2.gz LJYOTNJNFWPEAU-RYUDHWBXSA-N 2 1 270.377 -1.633 20 0 CAADMP Cn1cnnc1N1CC[NH+](CCOCC[NH3+])CC1 ZINC000655945415 409520357 /nfs/dbraw/zinc/52/03/57/409520357.db2.gz BONZMGSLOYPQCN-UHFFFAOYSA-N 2 1 254.338 -1.088 20 0 CAADMP O=C(NCCN1CC[NH2+]CC1)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000655961262 409520387 /nfs/dbraw/zinc/52/03/87/409520387.db2.gz LCIMLLSPLJKELU-QWHCGFSZSA-N 2 1 297.403 -1.648 20 0 CAADMP O=C(N[C@H]1CC[NH2+]C1)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000655963809 409521838 /nfs/dbraw/zinc/52/18/38/409521838.db2.gz LWQUEOJUNZOKGY-GARJFASQSA-N 2 1 254.334 -1.191 20 0 CAADMP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000656102015 409528592 /nfs/dbraw/zinc/52/85/92/409528592.db2.gz ATBMQRLZTSPLSB-GRYCIOLGSA-N 2 1 296.371 -1.916 20 0 CAADMP C[C@H]1CN(C(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)CC[NH2+]1 ZINC000656104109 409531048 /nfs/dbraw/zinc/53/10/48/409531048.db2.gz HMLVNZZQCDGFRC-SDDRHHMPSA-N 2 1 296.371 -1.916 20 0 CAADMP [NH3+][C@H]1CCN(C(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)C1 ZINC000656102373 409531271 /nfs/dbraw/zinc/53/12/71/409531271.db2.gz JESSXOGILUZVAB-GARJFASQSA-N 2 1 282.344 -2.177 20 0 CAADMP CC[NH+](CC)CC[C@H](CO)Nc1nc(N)nc(N)[nH+]1 ZINC000624178882 409546204 /nfs/dbraw/zinc/54/62/04/409546204.db2.gz DINAARCNBMGGLE-MRVPVSSYSA-N 2 1 269.353 -1.377 20 0 CAADMP C[NH2+]C[C@H](C)NC(=O)C(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000659750267 409571440 /nfs/dbraw/zinc/57/14/40/409571440.db2.gz FRFJONMTVKZJEU-UWVGGRQHSA-N 2 1 256.350 -1.079 20 0 CAADMP C[NH2+]C[C@@H](C)NC(=O)C(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000659750266 409571560 /nfs/dbraw/zinc/57/15/60/409571560.db2.gz FRFJONMTVKZJEU-NXEZZACHSA-N 2 1 256.350 -1.079 20 0 CAADMP C[NH2+]C[C@@H](C)NC(=O)C(=O)NCC[NH+]1CCSCC1 ZINC000659754157 409572403 /nfs/dbraw/zinc/57/24/03/409572403.db2.gz SSSNYZIXHDIDSX-SNVBAGLBSA-N 2 1 288.417 -1.125 20 0 CAADMP O[C@@H]1COCCN(C/C=C/C[N@H+]2CCOC[C@@H](O)C2)C1 ZINC000660668034 409578736 /nfs/dbraw/zinc/57/87/36/409578736.db2.gz BVHUNMXFYIXEMV-FAVCQXFFSA-N 2 1 286.372 -1.071 20 0 CAADMP O[C@@H]1COCC[NH+](C/C=C/C[N@H+]2CCOC[C@@H](O)C2)C1 ZINC000660668034 409578743 /nfs/dbraw/zinc/57/87/43/409578743.db2.gz BVHUNMXFYIXEMV-FAVCQXFFSA-N 2 1 286.372 -1.071 20 0 CAADMP O[C@@H]1COCC[NH+](C/C=C/C[N@@H+]2CCOC[C@@H](O)C2)C1 ZINC000660668034 409578749 /nfs/dbraw/zinc/57/87/49/409578749.db2.gz BVHUNMXFYIXEMV-FAVCQXFFSA-N 2 1 286.372 -1.071 20 0 CAADMP CC(C)[N@@H+](C)C[C@H](O)CN1C[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC000660722963 409578959 /nfs/dbraw/zinc/57/89/59/409578959.db2.gz QZOBLTYLHIROCF-GARJFASQSA-N 2 1 269.345 -1.108 20 0 CAADMP CC(C)[N@H+](C)C[C@H](O)C[NH+]1C[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC000660722963 409578966 /nfs/dbraw/zinc/57/89/66/409578966.db2.gz QZOBLTYLHIROCF-GARJFASQSA-N 2 1 269.345 -1.108 20 0 CAADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1C[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC000660722963 409578973 /nfs/dbraw/zinc/57/89/73/409578973.db2.gz QZOBLTYLHIROCF-GARJFASQSA-N 2 1 269.345 -1.108 20 0 CAADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1C[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC000660722963 409578978 /nfs/dbraw/zinc/57/89/78/409578978.db2.gz QZOBLTYLHIROCF-GARJFASQSA-N 2 1 269.345 -1.108 20 0 CAADMP CC(C)[NH+](C)C[C@H](O)C[N@H+]1C[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC000660722963 409578984 /nfs/dbraw/zinc/57/89/84/409578984.db2.gz QZOBLTYLHIROCF-GARJFASQSA-N 2 1 269.345 -1.108 20 0 CAADMP C[NH+]1CCN(C(=O)CCN(CC[NH3+])C[C@@H](O)CO)CC1 ZINC000662287970 409591579 /nfs/dbraw/zinc/59/15/79/409591579.db2.gz LDZFPFPDFLXDSX-GFCCVEGCSA-N 2 1 288.392 -2.236 20 0 CAADMP [NH3+]CCN(CCC[NH+]1CCOCC1)C[C@H](O)CO ZINC000662288327 409591699 /nfs/dbraw/zinc/59/16/99/409591699.db2.gz OWFYBLDJBFYABX-LBPRGKRZSA-N 2 1 261.366 -1.677 20 0 CAADMP C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)C2(O)C[NH2+]C2)CC1 ZINC000662792906 409606839 /nfs/dbraw/zinc/60/68/39/409606839.db2.gz YVHFTHFSNCBJET-ZDUSSCGKSA-N 2 1 296.415 -1.051 20 0 CAADMP C[NH2+]C[C@H](O)C[NH2+]CCC(=O)Nc1cc(C)on1 ZINC000647526575 409663692 /nfs/dbraw/zinc/66/36/92/409663692.db2.gz KMHIEKIINLDYBA-VIFPVBQESA-N 2 1 256.306 -0.518 20 0 CAADMP COC(=O)C[C@H]([NH3+])C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000563198333 409677539 /nfs/dbraw/zinc/67/75/39/409677539.db2.gz RCWBZWVPMMSHLX-VIFPVBQESA-N 2 1 283.332 -0.726 20 0 CAADMP C[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001195702079 782013680 /nfs/dbraw/zinc/01/36/80/782013680.db2.gz XARGVPHWKAVPLM-IJLUTSLNSA-N 2 1 273.377 -1.130 20 0 CAADMP C[NH+](C)CCCC(=O)N[C@@H]1C[N@@H+](CCO)C[C@H]1O ZINC001195709280 782015328 /nfs/dbraw/zinc/01/53/28/782015328.db2.gz ZKKPFRUMYQLNTM-GHMZBOCLSA-N 2 1 259.350 -1.518 20 0 CAADMP C[NH+](C)CCCC(=O)N[C@@H]1C[N@@H+](CCCO)C[C@H]1O ZINC001195709009 782015533 /nfs/dbraw/zinc/01/55/33/782015533.db2.gz VRWLBBYRHKDLFE-VXGBXAGGSA-N 2 1 273.377 -1.128 20 0 CAADMP CN(C)C(=O)CC[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000038031614 174025918 /nfs/dbraw/zinc/02/59/18/174025918.db2.gz DIBYFAMVLBUNQN-UHFFFAOYSA-N 2 1 256.350 -1.172 20 0 CAADMP CN(CC[NH+](C)C)C(=O)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000347963627 226389603 /nfs/dbraw/zinc/38/96/03/226389603.db2.gz JUHBXQUTULKQIT-GFCCVEGCSA-N 2 1 299.419 -1.632 20 0 CAADMP CN(CC[NH+](C)C)C(=O)C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000347963628 226389707 /nfs/dbraw/zinc/38/97/07/226389707.db2.gz JUHBXQUTULKQIT-LBPRGKRZSA-N 2 1 299.419 -1.632 20 0 CAADMP CO[C@@H](C[NH3+])C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000353429950 228100761 /nfs/dbraw/zinc/10/07/61/228100761.db2.gz VHJDLFLTNXPXTP-JTQLQIEISA-N 2 1 272.349 -1.760 20 0 CAADMP C[C@H](O)C[NH+]1CCN(C(=O)[C@H]2C[N@@H+]3CCN2CCC3)CC1 ZINC000330315503 228138144 /nfs/dbraw/zinc/13/81/44/228138144.db2.gz PRJUXVPGYMOHAN-UONOGXRCSA-N 2 1 296.415 -1.099 20 0 CAADMP C[C@H](O)C[NH+]1CCN(C(=O)[C@H]2C[N@H+]3CCN2CCC3)CC1 ZINC000330315503 228138146 /nfs/dbraw/zinc/13/81/46/228138146.db2.gz PRJUXVPGYMOHAN-UONOGXRCSA-N 2 1 296.415 -1.099 20 0 CAADMP C[C@H](O)C[N@H+](CCO)CCC(=O)N1CC[NH+](C)CC1 ZINC000351949304 228168249 /nfs/dbraw/zinc/16/82/49/228168249.db2.gz NYPACXGRDGZPIP-LBPRGKRZSA-N 2 1 273.377 -1.174 20 0 CAADMP C[C@H](O)C[N@@H+](CCO)CCC(=O)N1CC[NH+](C)CC1 ZINC000351949304 228168250 /nfs/dbraw/zinc/16/82/50/228168250.db2.gz NYPACXGRDGZPIP-LBPRGKRZSA-N 2 1 273.377 -1.174 20 0 CAADMP C[C@H]([NH3+])C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000186665646 230200525 /nfs/dbraw/zinc/20/05/25/230200525.db2.gz QPZNUWWBYPPFNI-UWVGGRQHSA-N 2 1 254.334 -1.244 20 0 CAADMP [NH3+]CC(=O)NCC(=O)NCC[NH+]1CCSCC1 ZINC000221318175 230209856 /nfs/dbraw/zinc/20/98/56/230209856.db2.gz PUBVHPAPZVRDGI-UHFFFAOYSA-N 2 1 260.363 -1.774 20 0 CAADMP COCC[N@H+]1CC[C@H](NC(=O)COC2C[NH2+]C2)C1 ZINC000430714111 230307478 /nfs/dbraw/zinc/30/74/78/230307478.db2.gz MJXQZAPEQDSIQB-JTQLQIEISA-N 2 1 257.334 -1.188 20 0 CAADMP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)[C@H]2COCC[NH2+]2)C1 ZINC000430888949 230310813 /nfs/dbraw/zinc/31/08/13/230310813.db2.gz ZXTBJLSKKCDLNK-VXGBXAGGSA-N 2 1 298.387 -1.322 20 0 CAADMP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)[C@H]2COCC[NH2+]2)C1 ZINC000430888949 230310815 /nfs/dbraw/zinc/31/08/15/230310815.db2.gz ZXTBJLSKKCDLNK-VXGBXAGGSA-N 2 1 298.387 -1.322 20 0 CAADMP NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)COC1C[NH2+]C1 ZINC000430889795 230311054 /nfs/dbraw/zinc/31/10/54/230311054.db2.gz MPYSIZSFDWELIE-NSHDSACASA-N 2 1 284.360 -1.569 20 0 CAADMP C[C@H](O)C[N@@H+]1CCN(C(=O)[C@H]2C[C@H](O)C[NH2+]2)C[C@@H]1C ZINC000432517792 230314622 /nfs/dbraw/zinc/31/46/22/230314622.db2.gz HNYXOPDKBZOINV-FIQHERPVSA-N 2 1 271.361 -1.377 20 0 CAADMP C[C@H](O)C[N@H+]1CCN(C(=O)[C@H]2C[C@H](O)C[NH2+]2)C[C@@H]1C ZINC000432517792 230314626 /nfs/dbraw/zinc/31/46/26/230314626.db2.gz HNYXOPDKBZOINV-FIQHERPVSA-N 2 1 271.361 -1.377 20 0 CAADMP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](CCCO)C[C@H]1O)[NH+](C)C ZINC001196252227 782030695 /nfs/dbraw/zinc/03/06/95/782030695.db2.gz VSYYVWIZEYIKQQ-GRYCIOLGSA-N 2 1 273.377 -1.130 20 0 CAADMP OCC[NH+]1CCC([NH2+]C[C@@H](O)CN2CCOCC2)CC1 ZINC001251037101 782039254 /nfs/dbraw/zinc/03/92/54/782039254.db2.gz QIRSLMXJMMYSLO-CQSZACIVSA-N 2 1 287.404 -1.274 20 0 CAADMP OCC[NH+]1CCC([NH2+]C[C@H](O)CN2CCOCC2)CC1 ZINC001251037096 782040240 /nfs/dbraw/zinc/04/02/40/782040240.db2.gz QIRSLMXJMMYSLO-AWEZNQCLSA-N 2 1 287.404 -1.274 20 0 CAADMP CNC(=O)[C@@H]1C[N@H+](CCC(=O)N2CC[NH2+]CC2)CCO1 ZINC000517031577 269088878 /nfs/dbraw/zinc/08/88/78/269088878.db2.gz NTPYGQFNLRMBMG-NSHDSACASA-N 2 1 284.360 -1.745 20 0 CAADMP CNC(=O)[C@@H]1C[N@@H+](CCC(=O)N2CC[NH2+]CC2)CCO1 ZINC000517031577 269088879 /nfs/dbraw/zinc/08/88/79/269088879.db2.gz NTPYGQFNLRMBMG-NSHDSACASA-N 2 1 284.360 -1.745 20 0 CAADMP C[N@H+]1CC[C@H](C(=O)NCC(=O)NCCN2CCOCC2)C1 ZINC000522137991 269090272 /nfs/dbraw/zinc/09/02/72/269090272.db2.gz WFJVJMDZVBOIFQ-LBPRGKRZSA-N 2 1 298.387 -1.497 20 0 CAADMP C[C@@H]1C[N@H+](CCO)CCN1C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000529387827 269093616 /nfs/dbraw/zinc/09/36/16/269093616.db2.gz MOBIDVQHSKGDIR-VXGBXAGGSA-N 2 1 286.376 -1.317 20 0 CAADMP C[C@@H]1C[N@@H+](CCO)CCN1C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000529387827 269093618 /nfs/dbraw/zinc/09/36/18/269093618.db2.gz MOBIDVQHSKGDIR-VXGBXAGGSA-N 2 1 286.376 -1.317 20 0 CAADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](C[C@H](C)O)C[C@H]1O ZINC001197057558 782047254 /nfs/dbraw/zinc/04/72/54/782047254.db2.gz DPZFKDSBXXYSMO-QJPTWQEYSA-N 2 1 273.377 -1.130 20 0 CAADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](CCO)C[C@H]1O ZINC001197048949 782045895 /nfs/dbraw/zinc/04/58/95/782045895.db2.gz IVAJCFIBIDTVOF-GHMZBOCLSA-N 2 1 259.350 -1.518 20 0 CAADMP C[C@@H]1C[N@@H+](CCC(=O)N2CC[NH2+]CC2)C[C@H](C(N)=O)O1 ZINC000262036760 288155105 /nfs/dbraw/zinc/15/51/05/288155105.db2.gz HGYFLQXXWIGMOW-GHMZBOCLSA-N 2 1 284.360 -1.617 20 0 CAADMP CN(C)C(=O)CC[NH+]1CCN(C(=O)[C@@H]2C[NH2+]CCO2)CC1 ZINC000430800260 288945809 /nfs/dbraw/zinc/94/58/09/288945809.db2.gz QEPUYECAEFKMDB-LBPRGKRZSA-N 2 1 298.387 -1.403 20 0 CAADMP C[C@H](O)C[N@@H+]1CCN(C(=O)[C@H]2C[C@@H](O)C[NH2+]2)C[C@@H]1C ZINC000479275079 290109496 /nfs/dbraw/zinc/10/94/96/290109496.db2.gz HNYXOPDKBZOINV-NNYUYHANSA-N 2 1 271.361 -1.377 20 0 CAADMP C[C@H](O)C[N@H+]1CCN(C(=O)[C@H]2C[C@@H](O)C[NH2+]2)C[C@@H]1C ZINC000479275079 290109498 /nfs/dbraw/zinc/10/94/98/290109498.db2.gz HNYXOPDKBZOINV-NNYUYHANSA-N 2 1 271.361 -1.377 20 0 CAADMP C[C@H](O)C[N@@H+]1CCN(C(=O)[C@H]2C[C@@H](O)C[NH2+]2)C[C@H]1C ZINC000479275081 290109594 /nfs/dbraw/zinc/10/95/94/290109594.db2.gz HNYXOPDKBZOINV-WRWGMCAJSA-N 2 1 271.361 -1.377 20 0 CAADMP C[C@H](O)C[N@H+]1CCN(C(=O)[C@H]2C[C@@H](O)C[NH2+]2)C[C@H]1C ZINC000479275081 290109597 /nfs/dbraw/zinc/10/95/97/290109597.db2.gz HNYXOPDKBZOINV-WRWGMCAJSA-N 2 1 271.361 -1.377 20 0 CAADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](C[C@H](C)O)C[C@H]1O ZINC001197536109 782055134 /nfs/dbraw/zinc/05/51/34/782055134.db2.gz JTSLWWLBVPYMQU-QJPTWQEYSA-N 2 1 273.377 -1.130 20 0 CAADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](C[C@H](C)O)C[C@H]1O ZINC001197536109 782055144 /nfs/dbraw/zinc/05/51/44/782055144.db2.gz JTSLWWLBVPYMQU-QJPTWQEYSA-N 2 1 273.377 -1.130 20 0 CAADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@H](C)O)C[C@H]1O ZINC001197536109 782055123 /nfs/dbraw/zinc/05/51/23/782055123.db2.gz JTSLWWLBVPYMQU-QJPTWQEYSA-N 2 1 273.377 -1.130 20 0 CAADMP CO[C@@H](C[NH3+])C(=O)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000353430078 293515712 /nfs/dbraw/zinc/51/57/12/293515712.db2.gz QOPUGSMIGASRJN-NSHDSACASA-N 2 1 286.376 -1.417 20 0 CAADMP C[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001197826194 782059895 /nfs/dbraw/zinc/05/98/95/782059895.db2.gz QDHOFVYUVQEQGN-IJLUTSLNSA-N 2 1 289.376 -1.893 20 0 CAADMP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@H+](CCO)C[C@H]1O ZINC001197826339 782060004 /nfs/dbraw/zinc/06/00/04/782060004.db2.gz SWKRZFUFTIJVNJ-GHMZBOCLSA-N 2 1 275.349 -2.282 20 0 CAADMP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@@H+](CCO)C[C@H]1O ZINC001197826339 782060015 /nfs/dbraw/zinc/06/00/15/782060015.db2.gz SWKRZFUFTIJVNJ-GHMZBOCLSA-N 2 1 275.349 -2.282 20 0 CAADMP NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)CCOC1C[NH2+]C1 ZINC000349006195 295109761 /nfs/dbraw/zinc/10/97/61/295109761.db2.gz TYAYACJWDQVGSE-LBPRGKRZSA-N 2 1 298.387 -1.179 20 0 CAADMP NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)[C@H]1C[C@H]1[NH3+] ZINC000424152675 295111288 /nfs/dbraw/zinc/11/12/88/295111288.db2.gz IUBSXTBMVPRTQI-AEJSXWLSSA-N 2 1 254.334 -1.210 20 0 CAADMP [NH3+]CC(=O)NCC(=O)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000376581242 295217502 /nfs/dbraw/zinc/21/75/02/295217502.db2.gz NNKYHYRCEBQSPY-RYUDHWBXSA-N 2 1 298.387 -1.179 20 0 CAADMP [NH3+]CC(=O)NCC(=O)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000376581241 295217619 /nfs/dbraw/zinc/21/76/19/295217619.db2.gz NNKYHYRCEBQSPY-NWDGAFQWSA-N 2 1 298.387 -1.179 20 0 CAADMP C[C@@H]1OCC[NH2+][C@H]1C(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000357266512 297583130 /nfs/dbraw/zinc/58/31/30/297583130.db2.gz IOZBISDUGYCLEZ-YNEHKIRRSA-N 2 1 282.388 -1.131 20 0 CAADMP CO[C@H](C[NH3+])CC(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000570926859 327634991 /nfs/dbraw/zinc/63/49/91/327634991.db2.gz MMPRDCGXXVPNIR-RYUDHWBXSA-N 2 1 298.387 -1.227 20 0 CAADMP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@@H+](C[C@@H](C)O)C[C@H]1O ZINC001199111785 782074973 /nfs/dbraw/zinc/07/49/73/782074973.db2.gz MACLMMFWXSUYTQ-IJLUTSLNSA-N 2 1 273.377 -1.131 20 0 CAADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@@H](C)O)C[C@H]1O ZINC001199111785 782074982 /nfs/dbraw/zinc/07/49/82/782074982.db2.gz MACLMMFWXSUYTQ-IJLUTSLNSA-N 2 1 273.377 -1.131 20 0 CAADMP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@@H](C)O)C[C@H]1O ZINC001199111785 782074990 /nfs/dbraw/zinc/07/49/90/782074990.db2.gz MACLMMFWXSUYTQ-IJLUTSLNSA-N 2 1 273.377 -1.131 20 0 CAADMP [NH3+]C1(C(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)CC1 ZINC000583694253 329004579 /nfs/dbraw/zinc/00/45/79/329004579.db2.gz KPJYNXWQRHLESX-SNVBAGLBSA-N 2 1 266.345 -1.100 20 0 CAADMP [NH3+][C@@H]1C[C@@H]2C[N@H+](CCCN3CCOCC3)CCN2C1=O ZINC000563442033 328066491 /nfs/dbraw/zinc/06/64/91/328066491.db2.gz NJLHUNIFHHQOCV-CHWSQXEVSA-N 2 1 282.388 -1.048 20 0 CAADMP [NH3+][C@@H]1C[C@@H]2C[N@@H+](CCCN3CCOCC3)CCN2C1=O ZINC000563442033 328066493 /nfs/dbraw/zinc/06/64/93/328066493.db2.gz NJLHUNIFHHQOCV-CHWSQXEVSA-N 2 1 282.388 -1.048 20 0 CAADMP CC(=O)NCC[N@H+](C)CCC(=O)N1CC[NH2+]CC1 ZINC000308186711 328080737 /nfs/dbraw/zinc/08/07/37/328080737.db2.gz KJRXITNYUTURMY-UHFFFAOYSA-N 2 1 256.350 -1.124 20 0 CAADMP CNS(=O)(=O)C[C@@H]1CCC[N@H+]1CCN1CC[NH2+]CC1 ZINC000571404739 328118893 /nfs/dbraw/zinc/11/88/93/328118893.db2.gz XMMKHIURJUTXAQ-LBPRGKRZSA-N 2 1 290.433 -1.095 20 0 CAADMP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)N(C)CCC[NH3+])C1 ZINC000571583012 328135265 /nfs/dbraw/zinc/13/52/65/328135265.db2.gz PWSZNGMSVJKJTG-LLVKDONJSA-N 2 1 286.376 -1.370 20 0 CAADMP CNC(=O)C[NH2+]C1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001199944139 782089959 /nfs/dbraw/zinc/08/99/59/782089959.db2.gz WFZLKACJBWYYIJ-LBPRGKRZSA-N 2 1 298.387 -1.356 20 0 CAADMP CNC(=O)C[NH2+]C1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001199944139 782089968 /nfs/dbraw/zinc/08/99/68/782089968.db2.gz WFZLKACJBWYYIJ-LBPRGKRZSA-N 2 1 298.387 -1.356 20 0 CAADMP CNC(=O)C[NH2+]C1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001199944138 782089989 /nfs/dbraw/zinc/08/99/89/782089989.db2.gz WFZLKACJBWYYIJ-GFCCVEGCSA-N 2 1 298.387 -1.356 20 0 CAADMP CNC(=O)C[NH2+]C1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001199944138 782089995 /nfs/dbraw/zinc/08/99/95/782089995.db2.gz WFZLKACJBWYYIJ-GFCCVEGCSA-N 2 1 298.387 -1.356 20 0 CAADMP C[NH2+][C@@H](C)C(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000584063676 326913317 /nfs/dbraw/zinc/91/33/17/326913317.db2.gz YQVUTKACULJJIU-VIFPVBQESA-N 2 1 290.389 -1.960 20 0 CAADMP [NH3+]CC(F)(F)CNC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000569471554 327183004 /nfs/dbraw/zinc/18/30/04/327183004.db2.gz BIHHGRYQAATNCS-SFYZADRCSA-N 2 1 291.302 -1.466 20 0 CAADMP [NH3+]CC(F)(F)CNC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000569471548 327183014 /nfs/dbraw/zinc/18/30/14/327183014.db2.gz BIHHGRYQAATNCS-HTQZYQBOSA-N 2 1 291.302 -1.466 20 0 CAADMP C[N@H+]1CC[C@@H]2OCCN(C(=O)COC3C[NH2+]C3)[C@@H]2C1 ZINC000569487688 327185480 /nfs/dbraw/zinc/18/54/80/327185480.db2.gz RQKWIKFYHHFVPH-NEPJUHHUSA-N 2 1 269.345 -1.094 20 0 CAADMP C[N@H+]1CC[C@H]2OCCN(C(=O)COC3C[NH2+]C3)[C@@H]2C1 ZINC000569487691 327185523 /nfs/dbraw/zinc/18/55/23/327185523.db2.gz RQKWIKFYHHFVPH-VXGBXAGGSA-N 2 1 269.345 -1.094 20 0 CAADMP C[N@H+]1CC[C@@H]2OCCN(C(=O)COC3C[NH2+]C3)[C@H]2C1 ZINC000569487690 327185644 /nfs/dbraw/zinc/18/56/44/327185644.db2.gz RQKWIKFYHHFVPH-RYUDHWBXSA-N 2 1 269.345 -1.094 20 0 CAADMP [NH3+][C@H]1C[C@H]2CN(C(=O)[C@H]3CSC[NH2+]3)CCN2C1=O ZINC000570582597 327602049 /nfs/dbraw/zinc/60/20/49/327602049.db2.gz BBNVOFMAWCCWKU-XHNCKOQMSA-N 2 1 270.358 -1.581 20 0 CAADMP [NH3+][C@H]1C[C@@H]2CN(C(=O)[C@H]3CSC[NH2+]3)CCN2C1=O ZINC000570582594 327602151 /nfs/dbraw/zinc/60/21/51/327602151.db2.gz BBNVOFMAWCCWKU-HRDYMLBCSA-N 2 1 270.358 -1.581 20 0 CAADMP C[C@H](CN1CCOCC1)[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000582677416 329126989 /nfs/dbraw/zinc/12/69/89/329126989.db2.gz PWQRXXIYSDIIIQ-AGIUHOORSA-N 2 1 282.388 -1.049 20 0 CAADMP C[C@H](CN1CCOCC1)[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000582677416 329126991 /nfs/dbraw/zinc/12/69/91/329126991.db2.gz PWQRXXIYSDIIIQ-AGIUHOORSA-N 2 1 282.388 -1.049 20 0 CAADMP C[C@H](CN1CCOCC1)[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000582677419 329127259 /nfs/dbraw/zinc/12/72/59/329127259.db2.gz PWQRXXIYSDIIIQ-FRRDWIJNSA-N 2 1 282.388 -1.049 20 0 CAADMP C[C@H](CN1CCOCC1)[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000582677419 329127261 /nfs/dbraw/zinc/12/72/61/329127261.db2.gz PWQRXXIYSDIIIQ-FRRDWIJNSA-N 2 1 282.388 -1.049 20 0 CAADMP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)C(=O)NC1C[NH2+]C1 ZINC000582715721 329129592 /nfs/dbraw/zinc/12/95/92/329129592.db2.gz SJRNXVOTBHXVBS-SNVBAGLBSA-N 2 1 268.361 -1.125 20 0 CAADMP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCNCC1 ZINC000583806433 329479799 /nfs/dbraw/zinc/47/97/99/329479799.db2.gz FIOFLMQHVXRECS-UHFFFAOYSA-N 2 1 299.419 -1.630 20 0 CAADMP CC[N@@H+]1CCO[C@H](C(=O)N2CCN(C)C[C@@H]2C[NH3+])C1 ZINC000162507025 330063452 /nfs/dbraw/zinc/06/34/52/330063452.db2.gz QFFAMILNAGJXPN-RYUDHWBXSA-N 2 1 270.377 -1.192 20 0 CAADMP CC[N@H+]1CCO[C@H](C(=O)N2CCN(C)C[C@@H]2C[NH3+])C1 ZINC000162507025 330063453 /nfs/dbraw/zinc/06/34/53/330063453.db2.gz QFFAMILNAGJXPN-RYUDHWBXSA-N 2 1 270.377 -1.192 20 0 CAADMP NC(=O)NC(=O)CC[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000575401077 335100791 /nfs/dbraw/zinc/10/07/91/335100791.db2.gz GLUPDBOWUKQQEE-SECBINFHSA-N 2 1 258.322 -1.382 20 0 CAADMP [NH3+]CCC(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000566972488 334671418 /nfs/dbraw/zinc/67/14/18/334671418.db2.gz BWVOQPPBSKENIY-JTQLQIEISA-N 2 1 254.334 -1.242 20 0 CAADMP COCC[N@H+]1CCC[C@H]1CNC(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000516939449 333087074 /nfs/dbraw/zinc/08/70/74/333087074.db2.gz ZHGVBKQMCGVVAY-RYUDHWBXSA-N 2 1 298.387 -1.309 20 0 CAADMP CC[NH+]1CCN(C(=O)[C@@H](C)N(C)C[C@H](O)C[NH3+])CC1 ZINC000572528986 333382931 /nfs/dbraw/zinc/38/29/31/333382931.db2.gz DMCSSOJEDQLONK-VXGBXAGGSA-N 2 1 272.393 -1.210 20 0 CAADMP CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)NC1C[NH2+]C1 ZINC000564310518 334051777 /nfs/dbraw/zinc/05/17/77/334051777.db2.gz CEUXPMHPGATPQZ-SNVBAGLBSA-N 2 1 254.334 -1.325 20 0 CAADMP CC[N@@H+]1CCO[C@H](C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)C1 ZINC000576359990 335194557 /nfs/dbraw/zinc/19/45/57/335194557.db2.gz IAKKEKOSWJFQLV-WOPDTQHZSA-N 2 1 296.371 -1.523 20 0 CAADMP CC[N@H+]1CCO[C@H](C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)C1 ZINC000576359990 335194558 /nfs/dbraw/zinc/19/45/58/335194558.db2.gz IAKKEKOSWJFQLV-WOPDTQHZSA-N 2 1 296.371 -1.523 20 0 CAADMP C[NH+]1CCN(C(=O)CCN2CCO[C@@H](C[NH3+])C2)CC1 ZINC000577111159 335301854 /nfs/dbraw/zinc/30/18/54/335301854.db2.gz MUWITLCTMXOENO-LBPRGKRZSA-N 2 1 270.377 -1.190 20 0 CAADMP C[NH+]1CCN(C(=O)CCN2CCO[C@H](C[NH3+])C2)CC1 ZINC000577111158 335301908 /nfs/dbraw/zinc/30/19/08/335301908.db2.gz MUWITLCTMXOENO-GFCCVEGCSA-N 2 1 270.377 -1.190 20 0 CAADMP CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@H](O)[C@@H]([NH+](C)C)C2)C1 ZINC000577123546 335304513 /nfs/dbraw/zinc/30/45/13/335304513.db2.gz PEYFABCSDUYHIQ-SDDRHHMPSA-N 2 1 271.361 -1.160 20 0 CAADMP CC[N@H+]1CCO[C@@H](C(=O)N2C[C@H](O)[C@@H]([NH+](C)C)C2)C1 ZINC000577123546 335304514 /nfs/dbraw/zinc/30/45/14/335304514.db2.gz PEYFABCSDUYHIQ-SDDRHHMPSA-N 2 1 271.361 -1.160 20 0 CAADMP CC(C)(O)C[NH+]1CCN(C(=O)C(=O)NC2C[NH2+]C2)CC1 ZINC000577270386 335332610 /nfs/dbraw/zinc/33/26/10/335332610.db2.gz TZTBPZVGUGOITD-UHFFFAOYSA-N 2 1 284.360 -2.011 20 0 CAADMP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2C[NH2+]CCN2C)C1 ZINC000577491944 335358678 /nfs/dbraw/zinc/35/86/78/335358678.db2.gz WSUDBVSWBIRDON-NWDGAFQWSA-N 2 1 270.377 -1.273 20 0 CAADMP CC[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2C[NH2+]CCN2C)C1 ZINC000577491944 335358680 /nfs/dbraw/zinc/35/86/80/335358680.db2.gz WSUDBVSWBIRDON-NWDGAFQWSA-N 2 1 270.377 -1.273 20 0 CAADMP CNC(=O)C[N@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000577611653 335377947 /nfs/dbraw/zinc/37/79/47/335377947.db2.gz ZLHLKDWSGMMDRX-NSHDSACASA-N 2 1 268.361 -1.124 20 0 CAADMP CNC(=O)C[N@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000577611652 335378061 /nfs/dbraw/zinc/37/80/61/335378061.db2.gz ZLHLKDWSGMMDRX-LLVKDONJSA-N 2 1 268.361 -1.124 20 0 CAADMP COCC[N@@H+](C)C[C@@H](O)CN[C@@H]1COC[C@@H]1OC ZINC000577766212 335399175 /nfs/dbraw/zinc/39/91/75/335399175.db2.gz WXHINEQKHVZPPR-TUAOUCFPSA-N 2 1 262.350 -1.071 20 0 CAADMP COCCN(C)C[C@@H](O)C[NH2+][C@@H]1COC[C@@H]1OC ZINC000577766212 335399176 /nfs/dbraw/zinc/39/91/76/335399176.db2.gz WXHINEQKHVZPPR-TUAOUCFPSA-N 2 1 262.350 -1.071 20 0 CAADMP C[C@](O)(CNC(=O)N[C@H]1CC[NH2+]C1)C[NH+]1CCOCC1 ZINC000578884665 335685404 /nfs/dbraw/zinc/68/54/04/335685404.db2.gz XWZAFQJJOVOXDV-AAEUAGOBSA-N 2 1 286.376 -1.269 20 0 CAADMP O=C(CN1CCNCC1=O)NCC[N@H+]1CCCOCC1 ZINC000581249562 336031889 /nfs/dbraw/zinc/03/18/89/336031889.db2.gz JNRMYQXKYCIVNE-UHFFFAOYSA-N 2 1 284.360 -1.743 20 0 CAADMP O=C(CN1CCNCC1=O)NCCN1CCCOCC1 ZINC000581249562 336031891 /nfs/dbraw/zinc/03/18/91/336031891.db2.gz JNRMYQXKYCIVNE-UHFFFAOYSA-N 2 1 284.360 -1.743 20 0 CAADMP NS(=O)(=O)C[C@H]1CCC[N@H+]1CCOCC[NH3+] ZINC000581429903 336075906 /nfs/dbraw/zinc/07/59/06/336075906.db2.gz OLVJMWNYOLNFSK-SECBINFHSA-N 2 1 251.352 -1.285 20 0 CAADMP C[N@H+]1CC[C@@H](C(=O)N2CCCO[C@@H](C[NH2+]CC(N)=O)C2)C1 ZINC001202057169 782109833 /nfs/dbraw/zinc/10/98/33/782109833.db2.gz DOQGQLBZYDQGAY-NEPJUHHUSA-N 2 1 298.387 -1.370 20 0 CAADMP COC(=O)[C@@H](O)C[NH2+]CCN1CCC[N@@H+](C)CC1 ZINC001252445856 782115158 /nfs/dbraw/zinc/11/51/58/782115158.db2.gz OKBCDIFETPGXNR-NSHDSACASA-N 2 1 259.350 -1.253 20 0 CAADMP COC(=O)[C@H](O)C[NH2+]CCN1CCC[N@@H+](C)CC1 ZINC001252445855 782115384 /nfs/dbraw/zinc/11/53/84/782115384.db2.gz OKBCDIFETPGXNR-LLVKDONJSA-N 2 1 259.350 -1.253 20 0 CAADMP C[NH+](C)[C@H](C(=O)N[C@@H]1[C@H]2C[N@H+](CC(N)=O)C[C@H]21)C1CC1 ZINC001114409439 782120349 /nfs/dbraw/zinc/12/03/49/782120349.db2.gz LDCHNAHIEHHZLJ-YGNMPJRFSA-N 2 1 280.372 -1.142 20 0 CAADMP C[NH+](C)[C@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(N)=O)C[C@H]21)C1CC1 ZINC001114409439 782120355 /nfs/dbraw/zinc/12/03/55/782120355.db2.gz LDCHNAHIEHHZLJ-YGNMPJRFSA-N 2 1 280.372 -1.142 20 0 CAADMP C[C@H](O)C[NH+]1CC2(C1)COCC(=O)N2CC[NH+](C)C ZINC001274047049 782131788 /nfs/dbraw/zinc/13/17/88/782131788.db2.gz LXMWIQPSGCPOSF-NSHDSACASA-N 2 1 271.361 -1.158 20 0 CAADMP C[NH+](C)CCN1CC[C@@]2(CC[N@@H+](CC(N)=O)C2)C1=O ZINC001274062185 782132417 /nfs/dbraw/zinc/13/24/17/782132417.db2.gz MYXNMHRSURBEBI-CYBMUJFWSA-N 2 1 268.361 -1.042 20 0 CAADMP C[NH+](C)CCN1CC[C@]2(CC[N@@H+](CC(N)=O)C2)C1=O ZINC001274062188 782132727 /nfs/dbraw/zinc/13/27/27/782132727.db2.gz MYXNMHRSURBEBI-ZDUSSCGKSA-N 2 1 268.361 -1.042 20 0 CAADMP CNC(=O)C[N@@H+]1CC[C@]2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001274073862 782135496 /nfs/dbraw/zinc/13/54/96/782135496.db2.gz QGJNAJBLTVWOCM-AWEZNQCLSA-N 2 1 298.387 -1.403 20 0 CAADMP CNC(=O)C[N@H+]1CC[C@]2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001274073862 782135498 /nfs/dbraw/zinc/13/54/98/782135498.db2.gz QGJNAJBLTVWOCM-AWEZNQCLSA-N 2 1 298.387 -1.403 20 0 CAADMP C[N@H+]1CC[C@H](C(=O)N2CCO[C@H](C[NH2+]CCO)C2)C1 ZINC001280665739 782137511 /nfs/dbraw/zinc/13/75/11/782137511.db2.gz DTDMIGVGPNBESS-NWDGAFQWSA-N 2 1 271.361 -1.253 20 0 CAADMP C[N@H+]1CC[C@H](C(=O)N2CCO[C@@H](C[NH2+]CCO)C2)C1 ZINC001280665740 782137207 /nfs/dbraw/zinc/13/72/07/782137207.db2.gz DTDMIGVGPNBESS-RYUDHWBXSA-N 2 1 271.361 -1.253 20 0 CAADMP C[N@H+]1CC[C@@H](C(=O)N2CCO[C@H](C[NH2+]CCO)C2)C1 ZINC001280665741 782137228 /nfs/dbraw/zinc/13/72/28/782137228.db2.gz DTDMIGVGPNBESS-VXGBXAGGSA-N 2 1 271.361 -1.253 20 0 CAADMP CNC(=O)C[NH2+]C/C=C\CNC(=O)CC[NH+]1CCOCC1 ZINC001274438286 782146693 /nfs/dbraw/zinc/14/66/93/782146693.db2.gz GRBMMTZJURSRDA-IHWYPQMZSA-N 2 1 298.387 -1.283 20 0 CAADMP C[NH+](C)CCN1CC[C@@]2(CCC[N@H+]2C[C@H](O)CO)C1=O ZINC001274565715 782151504 /nfs/dbraw/zinc/15/15/04/782151504.db2.gz SEOTZKGWNHTKGF-JSGCOSHPSA-N 2 1 285.388 -1.032 20 0 CAADMP C[NH+](C)CCN1CC[C@]2(CCC[N@H+]2C[C@H](O)CO)C1=O ZINC001274565714 782151671 /nfs/dbraw/zinc/15/16/71/782151671.db2.gz SEOTZKGWNHTKGF-GXTWGEPZSA-N 2 1 285.388 -1.032 20 0 CAADMP C[NH+](C)CCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2C[C@H](O)CO ZINC001274564628 782151691 /nfs/dbraw/zinc/15/16/91/782151691.db2.gz KJOHBZBBYZDKSH-YNEHKIRRSA-N 2 1 285.388 -1.034 20 0 CAADMP CC[N@@H+]1CCO[C@H](C(=O)NC/C=C/C[NH2+][C@@H](C)C(N)=O)C1 ZINC001274598725 782152735 /nfs/dbraw/zinc/15/27/35/782152735.db2.gz DHDDLLOMXFEPES-XMXMHJJKSA-N 2 1 298.387 -1.157 20 0 CAADMP CC[N@H+]1CCO[C@H](C(=O)NC/C=C/C[NH2+][C@@H](C)C(N)=O)C1 ZINC001274598725 782152743 /nfs/dbraw/zinc/15/27/43/782152743.db2.gz DHDDLLOMXFEPES-XMXMHJJKSA-N 2 1 298.387 -1.157 20 0 CAADMP C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)CNC(=O)C[NH3+] ZINC000094459954 533997465 /nfs/dbraw/zinc/99/74/65/533997465.db2.gz NAPHPWVMYYANSS-VHSXEESVSA-N 2 1 254.334 -1.244 20 0 CAADMP C[C@@H]1OCC[NH2+][C@H]1C(=O)NCCC[N@@H+]1CCC[C@@H]1C(N)=O ZINC000344468688 534164623 /nfs/dbraw/zinc/16/46/23/534164623.db2.gz IBBQBXBWQPOXGJ-QJPTWQEYSA-N 2 1 298.387 -1.181 20 0 CAADMP C[C@@H]1OCC[NH2+][C@H]1C(=O)NCCC[N@H+]1CCC[C@@H]1C(N)=O ZINC000344468688 534164630 /nfs/dbraw/zinc/16/46/30/534164630.db2.gz IBBQBXBWQPOXGJ-QJPTWQEYSA-N 2 1 298.387 -1.181 20 0 CAADMP C[C@@H]1OCC[NH2+][C@@H]1C(=O)NCCC[N@@H+]1CCC[C@@H]1C(N)=O ZINC000344468691 534165309 /nfs/dbraw/zinc/16/53/09/534165309.db2.gz IBBQBXBWQPOXGJ-TUAOUCFPSA-N 2 1 298.387 -1.181 20 0 CAADMP C[C@@H]1OCC[NH2+][C@@H]1C(=O)NCCC[N@H+]1CCC[C@@H]1C(N)=O ZINC000344468691 534165316 /nfs/dbraw/zinc/16/53/16/534165316.db2.gz IBBQBXBWQPOXGJ-TUAOUCFPSA-N 2 1 298.387 -1.181 20 0 CAADMP CNC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@H]1CCC[N@H+]1C ZINC001274883363 782161534 /nfs/dbraw/zinc/16/15/34/782161534.db2.gz JFAPPPJGGBBFPM-NXEZZACHSA-N 2 1 256.350 -1.079 20 0 CAADMP O=C(CC[N@H+]1CCN2C(=O)NC[C@H]2C1)N1CC[NH2+]CC1 ZINC000091753241 534404117 /nfs/dbraw/zinc/40/41/17/534404117.db2.gz JPZRUFKCQUDQOA-NSHDSACASA-N 2 1 281.360 -1.482 20 0 CAADMP NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)[C@H]2C[NH2+]CCO2)C1 ZINC000430899124 534449338 /nfs/dbraw/zinc/44/93/38/534449338.db2.gz YVRPFAOUCOCZMS-NWDGAFQWSA-N 2 1 298.387 -1.322 20 0 CAADMP NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)[C@@H]1COCC[NH2+]1 ZINC000430890530 534452888 /nfs/dbraw/zinc/45/28/88/534452888.db2.gz SWQQJVHEYDRLDS-WDEREUQCSA-N 2 1 284.360 -1.569 20 0 CAADMP NC(=O)[C@H]1CCC[N@H+]1CCCNC(=O)[C@@H]1COCC[NH2+]1 ZINC000430890530 534452896 /nfs/dbraw/zinc/45/28/96/534452896.db2.gz SWQQJVHEYDRLDS-WDEREUQCSA-N 2 1 284.360 -1.569 20 0 CAADMP NC(=O)[C@H]1CCC[N@H+]1CCCNC(=O)[C@H]1CC[NH2+]1 ZINC000444175199 534453753 /nfs/dbraw/zinc/45/37/53/534453753.db2.gz JIXCWZMATURWJE-NXEZZACHSA-N 2 1 254.334 -1.196 20 0 CAADMP NC(=O)[C@H]1CCC[N@H+]1CCCNC(=O)C[C@H]1C[NH2+]CCO1 ZINC000430900288 534454730 /nfs/dbraw/zinc/45/47/30/534454730.db2.gz PGUWBFPIHDYCCH-NWDGAFQWSA-N 2 1 298.387 -1.179 20 0 CAADMP O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)[C@H]1COCC[NH2+]1 ZINC000252550283 534600995 /nfs/dbraw/zinc/60/09/95/534600995.db2.gz ONLJAMWXWXAIMC-IJLUTSLNSA-N 2 1 269.345 -1.046 20 0 CAADMP O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)[C@H]1COCC[NH2+]1 ZINC000252550283 534601000 /nfs/dbraw/zinc/60/10/00/534601000.db2.gz ONLJAMWXWXAIMC-IJLUTSLNSA-N 2 1 269.345 -1.046 20 0 CAADMP O=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)[C@@H]1C[NH2+]CCO1 ZINC000091668001 534602135 /nfs/dbraw/zinc/60/21/35/534602135.db2.gz ZYIVUGIDTLTXGV-TUAOUCFPSA-N 2 1 269.345 -1.046 20 0 CAADMP O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)[C@@H]1COCC[NH2+]1 ZINC000091668216 534602429 /nfs/dbraw/zinc/60/24/29/534602429.db2.gz ONLJAMWXWXAIMC-UTUOFQBUSA-N 2 1 269.345 -1.046 20 0 CAADMP O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)[C@@H]1COCC[NH2+]1 ZINC000091668216 534602435 /nfs/dbraw/zinc/60/24/35/534602435.db2.gz ONLJAMWXWXAIMC-UTUOFQBUSA-N 2 1 269.345 -1.046 20 0 CAADMP COCC[N@@H+](C)CCNC(=O)CN1CC[NH2+]CC1 ZINC000061380654 523589276 /nfs/dbraw/zinc/58/92/76/523589276.db2.gz NHEIYYOQWTYBJP-UHFFFAOYSA-N 2 1 258.366 -1.414 20 0 CAADMP C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)CNC(=O)C[NH3+] ZINC000246501134 524689632 /nfs/dbraw/zinc/68/96/32/524689632.db2.gz NAPHPWVMYYANSS-UWVGGRQHSA-N 2 1 254.334 -1.244 20 0 CAADMP C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)CNC(=O)C[NH3+] ZINC000246501144 525088863 /nfs/dbraw/zinc/08/88/63/525088863.db2.gz NAPHPWVMYYANSS-ZJUUUORDSA-N 2 1 254.334 -1.244 20 0 CAADMP C[C@H](O)C[N@@H+]1CCN(C(=O)[C@@H]2C[C@H](O)C[NH2+]2)C[C@H]1C ZINC000357926421 525760521 /nfs/dbraw/zinc/76/05/21/525760521.db2.gz HNYXOPDKBZOINV-RHYQMDGZSA-N 2 1 271.361 -1.377 20 0 CAADMP C[C@H](O)C[N@H+]1CCN(C(=O)[C@@H]2C[C@H](O)C[NH2+]2)C[C@H]1C ZINC000357926421 525760532 /nfs/dbraw/zinc/76/05/32/525760532.db2.gz HNYXOPDKBZOINV-RHYQMDGZSA-N 2 1 271.361 -1.377 20 0 CAADMP C[C@H](O)C[N@@H+]1CCN(C(=O)[C@H]2C[NH2+]CCO2)C[C@@H]1C ZINC000246263975 525760697 /nfs/dbraw/zinc/76/06/97/525760697.db2.gz LGMNDKZYDVBLJE-SDDRHHMPSA-N 2 1 271.361 -1.112 20 0 CAADMP C[C@H](O)C[N@H+]1CCN(C(=O)[C@H]2C[NH2+]CCO2)C[C@@H]1C ZINC000246263975 525760704 /nfs/dbraw/zinc/76/07/04/525760704.db2.gz LGMNDKZYDVBLJE-SDDRHHMPSA-N 2 1 271.361 -1.112 20 0 CAADMP CC[N@@H+]1CCO[C@H](C(=O)NC[C@@]2(O)CC[NH+](C)C2)C1 ZINC000356081136 527736016 /nfs/dbraw/zinc/73/60/16/527736016.db2.gz SLUMNMGAXMYCNX-AAEUAGOBSA-N 2 1 271.361 -1.110 20 0 CAADMP CC[N@H+]1CCO[C@H](C(=O)NC[C@@]2(O)CC[NH+](C)C2)C1 ZINC000356081136 527736019 /nfs/dbraw/zinc/73/60/19/527736019.db2.gz SLUMNMGAXMYCNX-AAEUAGOBSA-N 2 1 271.361 -1.110 20 0 CAADMP CC[NH+]1CCO[C@H](C(=O)NC[C@@]2(O)CC[N@H+](C)C2)C1 ZINC000356081136 527736024 /nfs/dbraw/zinc/73/60/24/527736024.db2.gz SLUMNMGAXMYCNX-AAEUAGOBSA-N 2 1 271.361 -1.110 20 0 CAADMP CC[NH+]1CCO[C@H](C(=O)NC[C@@]2(O)CC[N@@H+](C)C2)C1 ZINC000356081136 527736026 /nfs/dbraw/zinc/73/60/26/527736026.db2.gz SLUMNMGAXMYCNX-AAEUAGOBSA-N 2 1 271.361 -1.110 20 0 CAADMP CC(C)[C@H](CNC(=O)CNC(=O)C[NH3+])[NH+]1CCOCC1 ZINC000262187983 528998900 /nfs/dbraw/zinc/99/89/00/528998900.db2.gz HPSXDJRJHIHTLX-NSHDSACASA-N 2 1 286.376 -1.466 20 0 CAADMP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CC[NH+](C)CC1 ZINC000126051109 529036510 /nfs/dbraw/zinc/03/65/10/529036510.db2.gz GBDBTJUYSMNBLS-NSHDSACASA-N 2 1 256.350 -1.140 20 0 CAADMP CC[C@@H]1CN(C(=O)CNC(=O)C[NH3+])CC[N@H+]1CCOC ZINC000125230860 529362948 /nfs/dbraw/zinc/36/29/48/529362948.db2.gz FBNOTKSRRMXALK-LLVKDONJSA-N 2 1 286.376 -1.370 20 0 CAADMP CO[C@H](C[NH3+])CC(=O)NC[C@@H]1C[N@H+]2CCN1CCC2 ZINC000394371993 545498124 /nfs/dbraw/zinc/49/81/24/545498124.db2.gz GPZSQDJORNWALF-NEPJUHHUSA-N 2 1 270.377 -1.144 20 0 CAADMP CC1(OCC(=O)NC[C@@H]2C[N@H+]3CCN2CCC3)C[NH2+]C1 ZINC000394392560 545498485 /nfs/dbraw/zinc/49/84/85/545498485.db2.gz RMZUIKBVMXSXDQ-GFCCVEGCSA-N 2 1 282.388 -1.129 20 0 CAADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1 ZINC000664083472 545509723 /nfs/dbraw/zinc/50/97/23/545509723.db2.gz RJUQBUQHXBGCOC-AGIUHOORSA-N 2 1 299.419 -1.452 20 0 CAADMP C[N@H+](CCN1CCCS1(=O)=O)CCN1CC[NH2+]CC1 ZINC000647995383 545534737 /nfs/dbraw/zinc/53/47/37/545534737.db2.gz SPFZCSCWHGXWGD-UHFFFAOYSA-N 2 1 290.433 -1.141 20 0 CAADMP C[N@@H+](CCN1CCCS1(=O)=O)CCN1CC[NH2+]CC1 ZINC000647995383 545534739 /nfs/dbraw/zinc/53/47/39/545534739.db2.gz SPFZCSCWHGXWGD-UHFFFAOYSA-N 2 1 290.433 -1.141 20 0 CAADMP CNC(=O)N[C@H]1CC[N@@H+](CCC(=O)N2CC[NH2+]CC2)C1 ZINC000647988831 545533157 /nfs/dbraw/zinc/53/31/57/545533157.db2.gz UWLYWQYYOZREBM-NSHDSACASA-N 2 1 283.376 -1.188 20 0 CAADMP C[N@H+]1CCC[C@@H]1CC[NH+]1C[C@@H](C(N)=O)[C@H](C(N)=O)C1 ZINC000639843811 545541176 /nfs/dbraw/zinc/54/11/76/545541176.db2.gz GYORPHAOXAXZDT-GMTAPVOTSA-N 2 1 268.361 -1.011 20 0 CAADMP COCC[NH+](C)CCNC(=O)NC[C@]1(O)CC[N@@H+](C)C1 ZINC000358702479 545541735 /nfs/dbraw/zinc/54/17/35/545541735.db2.gz FNCYVJYTMKBMRE-CYBMUJFWSA-N 2 1 288.392 -1.070 20 0 CAADMP C[NH+]1CCN(C(=O)CCNC(=O)[C@H]2CCO[C@@H]2C[NH3+])CC1 ZINC000662680492 545576717 /nfs/dbraw/zinc/57/67/17/545576717.db2.gz ZSGKBEYKLGWIOK-NWDGAFQWSA-N 2 1 298.387 -1.370 20 0 CAADMP C[NH+]1CCN(C(=O)CCNC(=O)[C@@H]2CCO[C@@H]2C[NH3+])CC1 ZINC000662680496 545576915 /nfs/dbraw/zinc/57/69/15/545576915.db2.gz ZSGKBEYKLGWIOK-VXGBXAGGSA-N 2 1 298.387 -1.370 20 0 CAADMP O=C(N1CC[NH+]([C@H]2CCC[C@H]2O)CC1)C1(O)C[NH2+]C1 ZINC000662718016 545577571 /nfs/dbraw/zinc/57/75/71/545577571.db2.gz VCKXTXNCVDOINV-WDEREUQCSA-N 2 1 269.345 -1.622 20 0 CAADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)C1(O)C[NH2+]C1 ZINC000662710752 545578142 /nfs/dbraw/zinc/57/81/42/545578142.db2.gz JIKGLUCOWLZLQX-NSHDSACASA-N 2 1 298.387 -1.620 20 0 CAADMP O=C(N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)C1(O)C[NH2+]C1 ZINC000662718009 545578575 /nfs/dbraw/zinc/57/85/75/545578575.db2.gz VCKXTXNCVDOINV-MNOVXSKESA-N 2 1 269.345 -1.622 20 0 CAADMP O=C(NC[C@H]1C[N@H+]2CCN1CCC2)C1(O)C[NH2+]C1 ZINC000662909081 545581588 /nfs/dbraw/zinc/58/15/88/545581588.db2.gz YGNMIVSTSIQFFI-JTQLQIEISA-N 2 1 254.334 -2.173 20 0 CAADMP CNS(=O)(=O)CCC[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000634727049 582109726 /nfs/dbraw/zinc/10/97/26/582109726.db2.gz JGLSCMRDRNWXFK-NSHDSACASA-N 2 1 279.406 -1.030 20 0 CAADMP O=C(CN1CC[NH2+]CC1)N1CC[NH+](CCO)CC1 ZINC000036231715 582110103 /nfs/dbraw/zinc/11/01/03/582110103.db2.gz XASQUQXJYTXLJP-UHFFFAOYSA-N 2 1 256.350 -1.972 20 0 CAADMP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)CNC(=O)C[NH3+] ZINC000648155619 582110204 /nfs/dbraw/zinc/11/02/04/582110204.db2.gz TWZRWNKMZZDBMD-SNVBAGLBSA-N 2 1 256.350 -1.140 20 0 CAADMP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)CNC(=O)C[NH3+] ZINC000648155618 582110228 /nfs/dbraw/zinc/11/02/28/582110228.db2.gz TWZRWNKMZZDBMD-JTQLQIEISA-N 2 1 256.350 -1.140 20 0 CAADMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCCOCCO ZINC000848980903 582111191 /nfs/dbraw/zinc/11/11/91/582111191.db2.gz GTUFRKZWCCKILI-UHFFFAOYSA-N 2 1 274.365 -1.168 20 0 CAADMP CN(C)C(=O)CC[NH+]1CCN(C(=O)[C@H]2CC[NH2+]2)CC1 ZINC000444273942 582116516 /nfs/dbraw/zinc/11/65/16/582116516.db2.gz VJNHFHSJDUBCMD-LLVKDONJSA-N 2 1 268.361 -1.029 20 0 CAADMP C[N@H+]1CC[C@@](O)(CNC(=O)C2C[NH+]([C@H]3CCOC3)C2)C1 ZINC000897397994 582117274 /nfs/dbraw/zinc/11/72/74/582117274.db2.gz PLTBEPKVFJWJHE-GXTWGEPZSA-N 2 1 283.372 -1.110 20 0 CAADMP C[N@H+]1CC[C@@](O)(CNC(=O)C2C[NH+]([C@@H]3CCOC3)C2)C1 ZINC000897397997 582117330 /nfs/dbraw/zinc/11/73/30/582117330.db2.gz PLTBEPKVFJWJHE-TZMCWYRMSA-N 2 1 283.372 -1.110 20 0 CAADMP O=C(NCC[N@@H+]1CC[C@H](O)C1)C1C[NH+]([C@H]2CCOC2)C1 ZINC000899154115 582120492 /nfs/dbraw/zinc/12/04/92/582120492.db2.gz LORCZFAHLCUCPI-STQMWFEESA-N 2 1 283.372 -1.110 20 0 CAADMP C[C@H](C[NH+]1CCOCC1)C(=O)NCC[N@@H+](C)CCO ZINC000899736463 582122207 /nfs/dbraw/zinc/12/22/07/582122207.db2.gz GJJSDXGSRPRYFL-GFCCVEGCSA-N 2 1 273.377 -1.005 20 0 CAADMP C[N@@H+](CCO)CCNC(=O)[C@@H]1C[NH+]2CCN1CCC2 ZINC000899736776 582122253 /nfs/dbraw/zinc/12/22/53/582122253.db2.gz TZKAQDCEMRKJCY-LBPRGKRZSA-N 2 1 270.377 -1.583 20 0 CAADMP C[NH+](CCO)CCNC(=O)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000899736776 582122254 /nfs/dbraw/zinc/12/22/54/582122254.db2.gz TZKAQDCEMRKJCY-LBPRGKRZSA-N 2 1 270.377 -1.583 20 0 CAADMP C[NH+](CCO)CCNC(=O)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000899736776 582122255 /nfs/dbraw/zinc/12/22/55/582122255.db2.gz TZKAQDCEMRKJCY-LBPRGKRZSA-N 2 1 270.377 -1.583 20 0 CAADMP COC(=O)C[C@H]([NH3+])C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000827936246 582193694 /nfs/dbraw/zinc/19/36/94/582193694.db2.gz HOEYZQFWZHQJKS-MXWKQRLJSA-N 2 1 285.344 -1.144 20 0 CAADMP COC(=O)C[C@H]([NH3+])C(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000827936247 582193717 /nfs/dbraw/zinc/19/37/17/582193717.db2.gz HOEYZQFWZHQJKS-VWYCJHECSA-N 2 1 285.344 -1.144 20 0 CAADMP [NH3+][C@@H]1C[C@@H]1C(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000829764589 582197107 /nfs/dbraw/zinc/19/71/07/582197107.db2.gz PVALYXATVQZVRM-RWMBFGLXSA-N 2 1 282.388 -1.144 20 0 CAADMP C[NH2+]CCN(C)C(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000848637149 582226850 /nfs/dbraw/zinc/22/68/50/582226850.db2.gz JWUZRLCUABOZEF-WDEREUQCSA-N 2 1 284.360 -2.058 20 0 CAADMP CN(C)C(=O)CNC(=[NH2+])NCCC[NH+]1CCOCC1 ZINC000848982110 582227250 /nfs/dbraw/zinc/22/72/50/582227250.db2.gz ZSLTZZNBEXKYGE-UHFFFAOYSA-N 2 1 271.365 -1.089 20 0 CAADMP C[NH2+]C[C@H](C)NC(=O)C(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000851684556 582228996 /nfs/dbraw/zinc/22/89/96/582228996.db2.gz JAPXUUQGURTVKS-TUAOUCFPSA-N 2 1 298.387 -1.310 20 0 CAADMP O=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)C(=O)N[C@H]1CC[NH2+]C1 ZINC000851685998 582229150 /nfs/dbraw/zinc/22/91/50/582229150.db2.gz YIPVSKUINVKVRN-SDDRHHMPSA-N 2 1 296.371 -1.556 20 0 CAADMP O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)C(=O)N[C@H]1CC[NH2+]C1 ZINC000851685993 582229157 /nfs/dbraw/zinc/22/91/57/582229157.db2.gz YIPVSKUINVKVRN-QJPTWQEYSA-N 2 1 296.371 -1.556 20 0 CAADMP CN(CCC[NH3+])C(=O)C(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000851685003 582229174 /nfs/dbraw/zinc/22/91/74/582229174.db2.gz OMSUAPGYZFWCNG-NEPJUHHUSA-N 2 1 298.387 -1.227 20 0 CAADMP C[NH2+]C[C@H](C)NC(=O)C(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000851684555 582229178 /nfs/dbraw/zinc/22/91/78/582229178.db2.gz JAPXUUQGURTVKS-SRVKXCTJSA-N 2 1 298.387 -1.310 20 0 CAADMP C[NH2+]C[C@H](C)NC(=O)C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000851684554 582229192 /nfs/dbraw/zinc/22/91/92/582229192.db2.gz JAPXUUQGURTVKS-SDDRHHMPSA-N 2 1 298.387 -1.310 20 0 CAADMP C[NH+]1CCN(C(=O)CCNC(=O)C2=NO[C@@H](C[NH3+])C2)CC1 ZINC000852858597 582231444 /nfs/dbraw/zinc/23/14/44/582231444.db2.gz FNOIUGJERTWVRZ-SNVBAGLBSA-N 2 1 297.359 -1.630 20 0 CAADMP O=C(NC[C@H]1C[N@H+]2CCC[C@H]2CO1)C1(O)C[NH2+]C1 ZINC000852863651 582231533 /nfs/dbraw/zinc/23/15/33/582231533.db2.gz HVKCWANUUIIPAC-UWVGGRQHSA-N 2 1 255.318 -1.700 20 0 CAADMP COCC[N@H+]1CC[C@@H](NC(=O)C2=NO[C@H](C[NH3+])C2)C1 ZINC000852867530 582231564 /nfs/dbraw/zinc/23/15/64/582231564.db2.gz XCBNDOJSCVXVPT-ZJUUUORDSA-N 2 1 270.333 -1.073 20 0 CAADMP C[NH+]1CCN(C(=O)CCNC(=O)C2=NO[C@H](C[NH3+])C2)CC1 ZINC000852858533 582231624 /nfs/dbraw/zinc/23/16/24/582231624.db2.gz FNOIUGJERTWVRZ-JTQLQIEISA-N 2 1 297.359 -1.630 20 0 CAADMP Cn1ccnc1[C@H]1C[NH2+]CCN1C(=O)C1=NO[C@H](C[NH3+])C1 ZINC000852877979 582231821 /nfs/dbraw/zinc/23/18/21/582231821.db2.gz KSTGTBXMNWNSMW-GXSJLCMTSA-N 2 1 292.343 -1.003 20 0 CAADMP C[NH+](C)C[C@H](CO)NC(=O)CC[NH+]1CCOCC1 ZINC000854467828 582234404 /nfs/dbraw/zinc/23/44/04/582234404.db2.gz YIDMJZWDSAWCNY-LLVKDONJSA-N 2 1 259.350 -1.253 20 0 CAADMP C[C@H]([NH3+])CN(C)C(=O)C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000861754708 582244838 /nfs/dbraw/zinc/24/48/38/582244838.db2.gz JOQFNVUESYFJML-SDDRHHMPSA-N 2 1 298.387 -1.229 20 0 CAADMP C[C@@H](NC(=O)C(=O)N(C)C[C@H](C)[NH3+])[C@H]1C[N@H+](C)CCO1 ZINC000861755247 582244883 /nfs/dbraw/zinc/24/48/83/582244883.db2.gz UNDBMIBFVHCWKR-HBNTYKKESA-N 2 1 286.376 -1.373 20 0 CAADMP C[C@@H](NC(=O)C(=O)N(C)C[C@H](C)[NH3+])[C@H]1C[N@@H+](C)CCO1 ZINC000861755247 582244884 /nfs/dbraw/zinc/24/48/84/582244884.db2.gz UNDBMIBFVHCWKR-HBNTYKKESA-N 2 1 286.376 -1.373 20 0 CAADMP C[C@H]([NH3+])CN(C)C(=O)C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000861754700 582244902 /nfs/dbraw/zinc/24/49/02/582244902.db2.gz JOQFNVUESYFJML-QJPTWQEYSA-N 2 1 298.387 -1.229 20 0 CAADMP C[C@H]([NH3+])CN(C)C(=O)C(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC000861755243 582244916 /nfs/dbraw/zinc/24/49/16/582244916.db2.gz UNDBMIBFVHCWKR-DCAQKATOSA-N 2 1 286.376 -1.373 20 0 CAADMP C[C@H]([NH3+])CN(C)C(=O)C(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCO1 ZINC000861755243 582244917 /nfs/dbraw/zinc/24/49/17/582244917.db2.gz UNDBMIBFVHCWKR-DCAQKATOSA-N 2 1 286.376 -1.373 20 0 CAADMP CCN(CC[NH3+])C(=O)C(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000861755038 582244919 /nfs/dbraw/zinc/24/49/19/582244919.db2.gz LYWJHIUHNPYFHA-RYUDHWBXSA-N 2 1 298.387 -1.227 20 0 CAADMP CCN(CC[NH3+])C(=O)C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000861755037 582244922 /nfs/dbraw/zinc/24/49/22/582244922.db2.gz LYWJHIUHNPYFHA-NWDGAFQWSA-N 2 1 298.387 -1.227 20 0 CAADMP COCCC[N@@H+](C)CCNC(=O)C(=O)N(C)C[C@@H](C)[NH3+] ZINC000861757999 582244953 /nfs/dbraw/zinc/24/49/53/582244953.db2.gz OIGPJWRFFNMJAT-LLVKDONJSA-N 2 1 288.392 -1.124 20 0 CAADMP C[C@H]([NH3+])CN(C)C(=O)C(=O)NCCC[NH+]1CCOCC1 ZINC000861769745 582244995 /nfs/dbraw/zinc/24/49/95/582244995.db2.gz CADXLJOPCWTQAI-NSHDSACASA-N 2 1 286.376 -1.370 20 0 CAADMP COCC[N@H+]1CC[C@H](NC(=O)C(=O)N(C)C[C@@H](C)[NH3+])C1 ZINC000861769175 582245052 /nfs/dbraw/zinc/24/50/52/582245052.db2.gz XBHBAFWEKYPDQV-MNOVXSKESA-N 2 1 286.376 -1.371 20 0 CAADMP COCC[N@@H+](C)CCNC(=O)C(=O)N(C)C[C@@H](C)[NH3+] ZINC000861755891 582245082 /nfs/dbraw/zinc/24/50/82/582245082.db2.gz VAFHKQDZZYIOED-SNVBAGLBSA-N 2 1 274.365 -1.514 20 0 CAADMP C[C@@H]([NH3+])CN(C)C(=O)C(=O)NCCC[NH+]1CCOCC1 ZINC000861769744 582245092 /nfs/dbraw/zinc/24/50/92/582245092.db2.gz CADXLJOPCWTQAI-LLVKDONJSA-N 2 1 286.376 -1.370 20 0 CAADMP C[N@H+]1C[C@@H](O)C[C@]1(C)C(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC000864059917 582250713 /nfs/dbraw/zinc/25/07/13/582250713.db2.gz UDRFNWRAGDGYOI-KZVDOYCCSA-N 2 1 283.372 -1.281 20 0 CAADMP CN(C)C(=O)C[N@@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866714358 582254101 /nfs/dbraw/zinc/25/41/01/582254101.db2.gz MXNQGFVNLLZNIL-MXWKQRLJSA-N 2 1 282.344 -1.059 20 0 CAADMP CN(C)C(=O)C[N@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866714358 582254102 /nfs/dbraw/zinc/25/41/02/582254102.db2.gz MXNQGFVNLLZNIL-MXWKQRLJSA-N 2 1 282.344 -1.059 20 0 CAADMP CCNC(=O)C[N@@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866714689 582254111 /nfs/dbraw/zinc/25/41/11/582254111.db2.gz VDXXYECOWLMMLQ-MXWKQRLJSA-N 2 1 282.344 -1.011 20 0 CAADMP CCNC(=O)C[N@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866714689 582254112 /nfs/dbraw/zinc/25/41/12/582254112.db2.gz VDXXYECOWLMMLQ-MXWKQRLJSA-N 2 1 282.344 -1.011 20 0 CAADMP [NH3+]CCOCC[N@@H+]1CCC[C@@H]2OCCNC(=O)[C@@H]21 ZINC000866718087 582254149 /nfs/dbraw/zinc/25/41/49/582254149.db2.gz WEFWWKKICRCBDS-WDEREUQCSA-N 2 1 257.334 -1.059 20 0 CAADMP [NH3+]CCOCC[N@H+]1CCC[C@@H]2OCCNC(=O)[C@@H]21 ZINC000866718087 582254151 /nfs/dbraw/zinc/25/41/51/582254151.db2.gz WEFWWKKICRCBDS-WDEREUQCSA-N 2 1 257.334 -1.059 20 0 CAADMP C[N@H+]1CC[C@H]2CN(C(=O)C(=O)N3CC[NH2+]CC3)CC[C@@H]21 ZINC000868385076 582256170 /nfs/dbraw/zinc/25/61/70/582256170.db2.gz JJZJLAOOMXYACI-RYUDHWBXSA-N 2 1 280.372 -1.029 20 0 CAADMP CN(CC[NH3+])C(=O)C(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000868390375 582256186 /nfs/dbraw/zinc/25/61/86/582256186.db2.gz ITYNYWVRRDIOGP-WDEREUQCSA-N 2 1 268.361 -1.044 20 0 CAADMP CN(CC[NH3+])C(=O)C(=O)N1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000868390371 582256210 /nfs/dbraw/zinc/25/62/10/582256210.db2.gz ITYNYWVRRDIOGP-MNOVXSKESA-N 2 1 268.361 -1.044 20 0 CAADMP CN(CC[NH3+])C(=O)C(=O)N1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000868390373 582256238 /nfs/dbraw/zinc/25/62/38/582256238.db2.gz ITYNYWVRRDIOGP-QWRGUYRKSA-N 2 1 268.361 -1.044 20 0 CAADMP COCCC[N@@H+](C)CCNC(=O)[C@@H](N)C[NH+](C)C ZINC000876770579 582263040 /nfs/dbraw/zinc/26/30/40/582263040.db2.gz HPSQUXVVOWYFRF-NSHDSACASA-N 2 1 260.382 -1.040 20 0 CAADMP COCC[N@H+]1CC[C@@H](NC(=O)[C@@H](N)C[NH+](C)C)C1 ZINC000876756583 582263072 /nfs/dbraw/zinc/26/30/72/582263072.db2.gz VQGGCBVXELCIOA-MNOVXSKESA-N 2 1 258.366 -1.288 20 0 CAADMP C[C@H](CNC(=O)[C@@H](N)C[NH+](C)C)C[NH+]1CCOCC1 ZINC000876747232 582263107 /nfs/dbraw/zinc/26/31/07/582263107.db2.gz YQLNBJGPLPKDLF-NEPJUHHUSA-N 2 1 272.393 -1.040 20 0 CAADMP O=C(CN1CC[NH2+]CC1)N1CC[NH2+]C[C@@H]1C(F)F ZINC000876854933 582263444 /nfs/dbraw/zinc/26/34/44/582263444.db2.gz XQNAYKBMGFZBPQ-SECBINFHSA-N 2 1 262.304 -1.043 20 0 CAADMP CN(CCC[NH+]1CCN(C)CC1)C(=O)[C@@H](N)C[NH+](C)C ZINC000876880927 582263599 /nfs/dbraw/zinc/26/35/99/582263599.db2.gz QGPYLAFKAMARJV-ZDUSSCGKSA-N 2 1 285.436 -1.029 20 0 CAADMP CO[C@@H]1C[N@H+](CC(=O)NC2CC[NH+](C)CC2)C[C@H]1O ZINC000878683236 582266420 /nfs/dbraw/zinc/26/64/20/582266420.db2.gz ZHRIVEKWLPIARD-VXGBXAGGSA-N 2 1 271.361 -1.112 20 0 CAADMP CO[C@@H]1C[N@@H+](CC(=O)NC2CC[NH+](C)CC2)C[C@H]1O ZINC000878683236 582266421 /nfs/dbraw/zinc/26/64/21/582266421.db2.gz ZHRIVEKWLPIARD-VXGBXAGGSA-N 2 1 271.361 -1.112 20 0 CAADMP CN1C(=O)[C@H]2C[N@H+](C[C@H](O)C[NH+]3CCCC3)C[C@H]2C1=O ZINC000879531952 582267648 /nfs/dbraw/zinc/26/76/48/582267648.db2.gz MXFRACXKJCVSTA-UTUOFQBUSA-N 2 1 281.356 -1.010 20 0 CAADMP CN1C(=O)[C@H]2C[N@@H+](C[C@H](O)C[NH+]3CCCC3)C[C@H]2C1=O ZINC000879531952 582267650 /nfs/dbraw/zinc/26/76/50/582267650.db2.gz MXFRACXKJCVSTA-UTUOFQBUSA-N 2 1 281.356 -1.010 20 0 CAADMP CN1C(=O)[C@H]2CN(C[C@@H](O)C[N@H+](C)C3CC3)C[C@H]2C1=O ZINC000879535685 582267694 /nfs/dbraw/zinc/26/76/94/582267694.db2.gz QTTBKYSSYCFANH-SDDRHHMPSA-N 2 1 281.356 -1.012 20 0 CAADMP CN1C(=O)[C@H]2CN(C[C@@H](O)C[N@@H+](C)C3CC3)C[C@H]2C1=O ZINC000879535685 582267695 /nfs/dbraw/zinc/26/76/95/582267695.db2.gz QTTBKYSSYCFANH-SDDRHHMPSA-N 2 1 281.356 -1.012 20 0 CAADMP O=C1CNCCN1[C@H]1CCCN(CCn2cnnn2)C1 ZINC000883425601 582272182 /nfs/dbraw/zinc/27/21/82/582272182.db2.gz YCMCCKHGLITHSV-NSHDSACASA-N 2 1 279.348 -1.431 20 0 CAADMP O=C1CNCCN1[C@@H]1CCCN(CCn2cnnn2)C1 ZINC000883425600 582272239 /nfs/dbraw/zinc/27/22/39/582272239.db2.gz YCMCCKHGLITHSV-LLVKDONJSA-N 2 1 279.348 -1.431 20 0 CAADMP COCC[N@@H+](C)CCNC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000884563003 582275440 /nfs/dbraw/zinc/27/54/40/582275440.db2.gz QUIWNFNVPANVPY-TXEJJXNPSA-N 2 1 298.387 -1.356 20 0 CAADMP COCC[N@@H+](C)CCNC(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000884563042 582275523 /nfs/dbraw/zinc/27/55/23/582275523.db2.gz SNHDLUVGKWGLKA-QWRGUYRKSA-N 2 1 284.360 -1.747 20 0 CAADMP C[C@H](NC(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)[C@@H]1C[N@H+](C)CCO1 ZINC000884570981 582275588 /nfs/dbraw/zinc/27/55/88/582275588.db2.gz DQKBWNYACJZLOX-BJDJZHNGSA-N 2 1 296.371 -1.606 20 0 CAADMP C[C@H](NC(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)[C@@H]1C[N@@H+](C)CCO1 ZINC000884570981 582275590 /nfs/dbraw/zinc/27/55/90/582275590.db2.gz DQKBWNYACJZLOX-BJDJZHNGSA-N 2 1 296.371 -1.606 20 0 CAADMP COCC[N@@H+](C)CCNC(=O)C(=O)N1C[C@@H]([NH3+])C[C@H]1C ZINC000884563034 582275593 /nfs/dbraw/zinc/27/55/93/582275593.db2.gz SDGVWKAXIABTAF-MNOVXSKESA-N 2 1 286.376 -1.371 20 0 CAADMP COCC[N@@H+](C)CCCNC(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000884637180 582275620 /nfs/dbraw/zinc/27/56/20/582275620.db2.gz DHBQJWXPDDNLBV-RYUDHWBXSA-N 2 1 298.387 -1.356 20 0 CAADMP C[C@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)NCCC[NH+]1CCOCC1 ZINC000884652266 582275761 /nfs/dbraw/zinc/27/57/61/582275761.db2.gz OERLNBMBBKETPB-NWDGAFQWSA-N 2 1 298.387 -1.227 20 0 CAADMP C[C@H]1C[C@H]([NH3+])CN1C(=O)C(=O)NCCC[NH+]1CCOCC1 ZINC000884652267 582275777 /nfs/dbraw/zinc/27/57/77/582275777.db2.gz OERLNBMBBKETPB-RYUDHWBXSA-N 2 1 298.387 -1.227 20 0 CAADMP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)NCCC[NH+]1CCOCC1 ZINC000884652265 582275799 /nfs/dbraw/zinc/27/57/99/582275799.db2.gz OERLNBMBBKETPB-NEPJUHHUSA-N 2 1 298.387 -1.227 20 0 CAADMP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)C1 ZINC000884643138 582275819 /nfs/dbraw/zinc/27/58/19/582275819.db2.gz YEALGQLIFDRGMF-WOPDTQHZSA-N 2 1 296.371 -1.604 20 0 CAADMP COCC[N@H+]1CC[C@H](NC(=O)C(=O)N2C[C@H]([NH3+])C[C@H]2C)C1 ZINC000884642357 582275841 /nfs/dbraw/zinc/27/58/41/582275841.db2.gz HBRXXRRFCGEHRL-UTUOFQBUSA-N 2 1 298.387 -1.229 20 0 CAADMP C[N@H+]1CC[C@H]2CN(C(=O)C(=O)NCC[NH3+])CC[C@H]21 ZINC000884673412 582275864 /nfs/dbraw/zinc/27/58/64/582275864.db2.gz WFSQRFLCVZLXIW-VHSXEESVSA-N 2 1 254.334 -1.386 20 0 CAADMP C[NH2+]CCNC(=O)C(=O)N1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000884686510 582276066 /nfs/dbraw/zinc/27/60/66/582276066.db2.gz MKJBYYWLOJXQPI-GHMZBOCLSA-N 2 1 268.361 -1.125 20 0 CAADMP C[NH2+]CCNC(=O)C(=O)N1CC[N@H+](C)C(C)(C)C1 ZINC000884686692 582276111 /nfs/dbraw/zinc/27/61/11/582276111.db2.gz SWBVPDAKHQWMID-UHFFFAOYSA-N 2 1 256.350 -1.125 20 0 CAADMP C[NH2+]CCNC(=O)C(=O)N1CC[N@@H+](C)C(C)(C)C1 ZINC000884686692 582276112 /nfs/dbraw/zinc/27/61/12/582276112.db2.gz SWBVPDAKHQWMID-UHFFFAOYSA-N 2 1 256.350 -1.125 20 0 CAADMP C[N@@H+]1CCN(C(=O)C(=O)NC[C@H]2C[NH2+]CCO2)CC1(C)C ZINC000884726285 582276535 /nfs/dbraw/zinc/27/65/35/582276535.db2.gz MYGVKTCAWAUIHI-LLVKDONJSA-N 2 1 298.387 -1.356 20 0 CAADMP C[N@H+]1CCN(C(=O)C(=O)NC[C@H]2C[NH2+]CCO2)CC1(C)C ZINC000884726285 582276536 /nfs/dbraw/zinc/27/65/36/582276536.db2.gz MYGVKTCAWAUIHI-LLVKDONJSA-N 2 1 298.387 -1.356 20 0 CAADMP C[NH+](C)CCCS(=O)(=O)NCC[N@H+](C)CCO ZINC000885804369 582277973 /nfs/dbraw/zinc/27/79/73/582277973.db2.gz KGARFRAENZMRFM-UHFFFAOYSA-N 2 1 267.395 -1.218 20 0 CAADMP C[NH+](C)CCCS(=O)(=O)NCC[N@@H+](C)CCO ZINC000885804369 582277974 /nfs/dbraw/zinc/27/79/74/582277974.db2.gz KGARFRAENZMRFM-UHFFFAOYSA-N 2 1 267.395 -1.218 20 0 CAADMP CC(C)[N@@H+]1CCO[C@@H](C(=O)N2CC[C@@H]([NH2+]CC(N)=O)C2)C1 ZINC000969704808 614363897 /nfs/dbraw/zinc/36/38/97/614363897.db2.gz GPHOFGXMALNLEX-VXGBXAGGSA-N 2 1 298.387 -1.229 20 0 CAADMP CC(C)[N@H+]1CCO[C@@H](C(=O)N2CC[C@@H]([NH2+]CC(N)=O)C2)C1 ZINC000969704808 614363899 /nfs/dbraw/zinc/36/38/99/614363899.db2.gz GPHOFGXMALNLEX-VXGBXAGGSA-N 2 1 298.387 -1.229 20 0 CAADMP CC(C)[N@@H+]1CCO[C@H](C(=O)N2CC[C@@H]([NH2+]CC(N)=O)C2)C1 ZINC000969704807 614365733 /nfs/dbraw/zinc/36/57/33/614365733.db2.gz GPHOFGXMALNLEX-NEPJUHHUSA-N 2 1 298.387 -1.229 20 0 CAADMP CC(C)[N@H+]1CCO[C@H](C(=O)N2CC[C@@H]([NH2+]CC(N)=O)C2)C1 ZINC000969704807 614365734 /nfs/dbraw/zinc/36/57/34/614365734.db2.gz GPHOFGXMALNLEX-NEPJUHHUSA-N 2 1 298.387 -1.229 20 0 CAADMP CC[N@@H+]1CCO[C@H](C(=O)N2CC[C@@H]([NH2+]CCO)C2)C1 ZINC000970758619 615181990 /nfs/dbraw/zinc/18/19/90/615181990.db2.gz ASSNROOIEKZSPK-NEPJUHHUSA-N 2 1 271.361 -1.110 20 0 CAADMP CC[N@H+]1CCO[C@H](C(=O)N2CC[C@@H]([NH2+]CCO)C2)C1 ZINC000970758619 615181991 /nfs/dbraw/zinc/18/19/91/615181991.db2.gz ASSNROOIEKZSPK-NEPJUHHUSA-N 2 1 271.361 -1.110 20 0 CAADMP CC[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2[C@H]3C[NH+](CCO)C[C@H]32)C1 ZINC000979071011 615183634 /nfs/dbraw/zinc/18/36/34/615183634.db2.gz JYCSNAPWPRYAGQ-FQUUOJAGSA-N 2 1 297.399 -1.007 20 0 CAADMP CC[N@H+]1CCO[C@H](C(=O)NC[C@@H]2[C@H]3C[NH+](CCO)C[C@H]32)C1 ZINC000979071011 615183635 /nfs/dbraw/zinc/18/36/35/615183635.db2.gz JYCSNAPWPRYAGQ-FQUUOJAGSA-N 2 1 297.399 -1.007 20 0 CAADMP CC[NH+]1CCO[C@H](C(=O)NC[C@@H]2[C@H]3C[N@@H+](CCO)C[C@H]32)C1 ZINC000979071011 615183636 /nfs/dbraw/zinc/18/36/36/615183636.db2.gz JYCSNAPWPRYAGQ-FQUUOJAGSA-N 2 1 297.399 -1.007 20 0 CAADMP CC[NH+]1CCO[C@H](C(=O)NC[C@@H]2[C@H]3C[N@H+](CCO)C[C@H]32)C1 ZINC000979071011 615183637 /nfs/dbraw/zinc/18/36/37/615183637.db2.gz JYCSNAPWPRYAGQ-FQUUOJAGSA-N 2 1 297.399 -1.007 20 0 CAADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2[C@H]3C[NH+](CCO)C[C@H]32)C1 ZINC000962660167 615184516 /nfs/dbraw/zinc/18/45/16/615184516.db2.gz CFYGATFHFQDIOE-QNWHQSFQSA-N 2 1 283.372 -1.254 20 0 CAADMP CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2[C@H]3C[NH+](CCO)C[C@H]32)C1 ZINC000962660167 615184518 /nfs/dbraw/zinc/18/45/18/615184518.db2.gz CFYGATFHFQDIOE-QNWHQSFQSA-N 2 1 283.372 -1.254 20 0 CAADMP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2[C@H]3C[N@H+](CCO)C[C@H]32)C1 ZINC000962660167 615184520 /nfs/dbraw/zinc/18/45/20/615184520.db2.gz CFYGATFHFQDIOE-QNWHQSFQSA-N 2 1 283.372 -1.254 20 0 CAADMP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](CCO)C[C@H]32)C1 ZINC000962660167 615184521 /nfs/dbraw/zinc/18/45/21/615184521.db2.gz CFYGATFHFQDIOE-QNWHQSFQSA-N 2 1 283.372 -1.254 20 0 CAADMP C[NH+]1CCC(C(=O)NC[C@@H]2C[N@H+](CC(N)=O)C[C@H]2O)CC1 ZINC000958376045 616166990 /nfs/dbraw/zinc/16/69/90/616166990.db2.gz YSNFCWUZVSKGAA-VXGBXAGGSA-N 2 1 298.387 -1.778 20 0 CAADMP C[NH+]1CCC(C(=O)NC[C@@H]2C[N@@H+](CC(N)=O)C[C@H]2O)CC1 ZINC000958376045 616166991 /nfs/dbraw/zinc/16/69/91/616166991.db2.gz YSNFCWUZVSKGAA-VXGBXAGGSA-N 2 1 298.387 -1.778 20 0 CAADMP C[NH+]1CCC(C(=O)N[C@@H]2[C@H]3C[N@H+](CC(N)=O)C[C@H]32)CC1 ZINC000961667190 616167604 /nfs/dbraw/zinc/16/76/04/616167604.db2.gz ZUODZTJQMVSNMK-PJXYFTJBSA-N 2 1 280.372 -1.140 20 0 CAADMP C[NH+]1CCC(C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(N)=O)C[C@H]32)CC1 ZINC000961667190 616167605 /nfs/dbraw/zinc/16/76/05/616167605.db2.gz ZUODZTJQMVSNMK-PJXYFTJBSA-N 2 1 280.372 -1.140 20 0 CAADMP Cn1nnnc1C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC000967925891 616192230 /nfs/dbraw/zinc/19/22/30/616192230.db2.gz UEHSEWWXEUUBKU-GHMZBOCLSA-N 2 1 293.375 -1.005 20 0 CAADMP Cn1nnnc1C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC000967925891 616192231 /nfs/dbraw/zinc/19/22/31/616192231.db2.gz UEHSEWWXEUUBKU-GHMZBOCLSA-N 2 1 293.375 -1.005 20 0 CAADMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1[C@H]2C[NH+](CC(N)=O)C[C@H]21 ZINC000977918604 616193703 /nfs/dbraw/zinc/19/37/03/616193703.db2.gz JGZXUWJYCRUNLQ-WISYIIOYSA-N 2 1 280.372 -1.140 20 0 CAADMP C[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1[C@H]2C[N@@H+](CC(N)=O)C[C@H]21 ZINC000977918604 616193704 /nfs/dbraw/zinc/19/37/04/616193704.db2.gz JGZXUWJYCRUNLQ-WISYIIOYSA-N 2 1 280.372 -1.140 20 0 CAADMP C[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1[C@H]2C[N@H+](CC(N)=O)C[C@H]21 ZINC000977918604 616193705 /nfs/dbraw/zinc/19/37/05/616193705.db2.gz JGZXUWJYCRUNLQ-WISYIIOYSA-N 2 1 280.372 -1.140 20 0 CAADMP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CC(N)=O)C[C@H]21 ZINC000958414993 616195135 /nfs/dbraw/zinc/19/51/35/616195135.db2.gz NNVYKZKKYFLCGN-KLBPJQLPSA-N 2 1 266.345 -1.388 20 0 CAADMP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[NH+](CC(N)=O)C[C@H]21 ZINC000958414993 616195133 /nfs/dbraw/zinc/19/51/33/616195133.db2.gz NNVYKZKKYFLCGN-KLBPJQLPSA-N 2 1 266.345 -1.388 20 0 CAADMP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[NH+](CC(N)=O)C[C@H]21 ZINC000958414993 616195134 /nfs/dbraw/zinc/19/51/34/616195134.db2.gz NNVYKZKKYFLCGN-KLBPJQLPSA-N 2 1 266.345 -1.388 20 0 CAADMP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(N)=O)C[C@H]21 ZINC000958414993 616195136 /nfs/dbraw/zinc/19/51/36/616195136.db2.gz NNVYKZKKYFLCGN-KLBPJQLPSA-N 2 1 266.345 -1.388 20 0 CAADMP CN1CCO[C@H](C(=O)N2CC[C@@H]([N@@H+](C)CCO)C2)C1 ZINC000971266226 616258057 /nfs/dbraw/zinc/25/80/57/616258057.db2.gz GYLOQWBDEVOQRT-NEPJUHHUSA-N 2 1 271.361 -1.158 20 0 CAADMP C[N@H+](CCO)[C@@H]1CCN(C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC000971266226 616258058 /nfs/dbraw/zinc/25/80/58/616258058.db2.gz GYLOQWBDEVOQRT-NEPJUHHUSA-N 2 1 271.361 -1.158 20 0 CAADMP C[N@@H+](CCO)[C@@H]1CCN(C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC000971266226 616258059 /nfs/dbraw/zinc/25/80/59/616258059.db2.gz GYLOQWBDEVOQRT-NEPJUHHUSA-N 2 1 271.361 -1.158 20 0 CAADMP C[NH+](CCO)[C@@H]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000971266226 616258060 /nfs/dbraw/zinc/25/80/60/616258060.db2.gz GYLOQWBDEVOQRT-NEPJUHHUSA-N 2 1 271.361 -1.158 20 0 CAADMP C[NH+](CCO)[C@@H]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000971266226 616258061 /nfs/dbraw/zinc/25/80/61/616258061.db2.gz GYLOQWBDEVOQRT-NEPJUHHUSA-N 2 1 271.361 -1.158 20 0 CAADMP C[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2[C@H]3C[NH+](CCCO)C[C@H]32)C1 ZINC000977960501 616259459 /nfs/dbraw/zinc/25/94/59/616259459.db2.gz ZNVFQNRQALRAJC-FQUUOJAGSA-N 2 1 297.399 -1.007 20 0 CAADMP C[N@H+]1CCO[C@H](C(=O)NC[C@@H]2[C@H]3C[NH+](CCCO)C[C@H]32)C1 ZINC000977960501 616259460 /nfs/dbraw/zinc/25/94/60/616259460.db2.gz ZNVFQNRQALRAJC-FQUUOJAGSA-N 2 1 297.399 -1.007 20 0 CAADMP C[NH+]1CCO[C@H](C(=O)NC[C@@H]2[C@H]3C[N@@H+](CCCO)C[C@H]32)C1 ZINC000977960501 616259461 /nfs/dbraw/zinc/25/94/61/616259461.db2.gz ZNVFQNRQALRAJC-FQUUOJAGSA-N 2 1 297.399 -1.007 20 0 CAADMP C[NH+]1CCO[C@H](C(=O)NC[C@@H]2[C@H]3C[N@H+](CCCO)C[C@H]32)C1 ZINC000977960501 616259462 /nfs/dbraw/zinc/25/94/62/616259462.db2.gz ZNVFQNRQALRAJC-FQUUOJAGSA-N 2 1 297.399 -1.007 20 0 CAADMP C[N@H+]1CC[C@@H](C(=O)N2CC[C@@H]([NH2+]CC(N)=O)C2)C1 ZINC000970713498 616265075 /nfs/dbraw/zinc/26/50/75/616265075.db2.gz ZBISBSSVBYUPKD-NXEZZACHSA-N 2 1 254.334 -1.386 20 0 CAADMP C[N@H+]1CC[C@@H](C(=O)NC[C@@H]2[C@H]3C[NH+](CC(N)=O)C[C@H]32)C1 ZINC000979050087 616266700 /nfs/dbraw/zinc/26/67/00/616266700.db2.gz MKFVARQIOHWLMY-KKOKHZNYSA-N 2 1 280.372 -1.283 20 0 CAADMP C[NH+]1CC[C@@H](C(=O)NC[C@@H]2[C@H]3C[N@@H+](CC(N)=O)C[C@H]32)C1 ZINC000979050087 616266701 /nfs/dbraw/zinc/26/67/01/616266701.db2.gz MKFVARQIOHWLMY-KKOKHZNYSA-N 2 1 280.372 -1.283 20 0 CAADMP C[NH+]1CC[C@@H](C(=O)NC[C@@H]2[C@H]3C[N@H+](CC(N)=O)C[C@H]32)C1 ZINC000979050087 616266702 /nfs/dbraw/zinc/26/67/02/616266702.db2.gz MKFVARQIOHWLMY-KKOKHZNYSA-N 2 1 280.372 -1.283 20 0 CAADMP C[N@H+]1CC[C@H](C(=O)N2CCN(C3CN(CCO)C3)CC2)C1 ZINC000941666452 616359705 /nfs/dbraw/zinc/35/97/05/616359705.db2.gz ZVQWGDIPUVPLHB-ZDUSSCGKSA-N 2 1 296.415 -1.241 20 0 CAADMP C[N@@H+]1CC[C@H](C(=O)N2CCN(C3C[NH+](CCO)C3)CC2)C1 ZINC000941666452 616359709 /nfs/dbraw/zinc/35/97/09/616359709.db2.gz ZVQWGDIPUVPLHB-ZDUSSCGKSA-N 2 1 296.415 -1.241 20 0 CAADMP C[N@H+]1CC[C@H](C(=O)N2CCN(C3C[NH+](CCO)C3)CC2)C1 ZINC000941666452 616359714 /nfs/dbraw/zinc/35/97/14/616359714.db2.gz ZVQWGDIPUVPLHB-ZDUSSCGKSA-N 2 1 296.415 -1.241 20 0 CAADMP Cn1nnnc1C[NH2+][C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC000970712770 616362570 /nfs/dbraw/zinc/36/25/70/616362570.db2.gz ROTPAHLLKRLBHB-WDEREUQCSA-N 2 1 293.375 -1.148 20 0 CAADMP Cn1nnnc1C[NH2+][C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000970712770 616362572 /nfs/dbraw/zinc/36/25/72/616362572.db2.gz ROTPAHLLKRLBHB-WDEREUQCSA-N 2 1 293.375 -1.148 20 0 CAADMP C[N@H+]1CC[C@H](C(=O)NC[C@@H]2[C@H]3C[NH+](CC(N)=O)C[C@H]32)C1 ZINC000979050086 616373580 /nfs/dbraw/zinc/37/35/80/616373580.db2.gz MKFVARQIOHWLMY-FIQHERPVSA-N 2 1 280.372 -1.283 20 0 CAADMP C[NH+]1CC[C@H](C(=O)NC[C@@H]2[C@H]3C[N@@H+](CC(N)=O)C[C@H]32)C1 ZINC000979050086 616373582 /nfs/dbraw/zinc/37/35/82/616373582.db2.gz MKFVARQIOHWLMY-FIQHERPVSA-N 2 1 280.372 -1.283 20 0 CAADMP C[NH+]1CC[C@H](C(=O)NC[C@@H]2[C@H]3C[N@H+](CC(N)=O)C[C@H]32)C1 ZINC000979050086 616373587 /nfs/dbraw/zinc/37/35/87/616373587.db2.gz MKFVARQIOHWLMY-FIQHERPVSA-N 2 1 280.372 -1.283 20 0 CAADMP CNC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC000979076252 616640462 /nfs/dbraw/zinc/64/04/62/616640462.db2.gz VOQHSQAXBRXBJF-ZDEQEGDKSA-N 2 1 294.399 -1.022 20 0 CAADMP CNC(=O)C[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC000979076252 616640463 /nfs/dbraw/zinc/64/04/63/616640463.db2.gz VOQHSQAXBRXBJF-ZDEQEGDKSA-N 2 1 294.399 -1.022 20 0 CAADMP CNC(=O)C[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC000979076252 616640467 /nfs/dbraw/zinc/64/04/67/616640467.db2.gz VOQHSQAXBRXBJF-ZDEQEGDKSA-N 2 1 294.399 -1.022 20 0 CAADMP CNC(=O)CN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC000962551212 616645209 /nfs/dbraw/zinc/64/52/09/616645209.db2.gz HLMDKNUXWGHFQW-MEWQQHAOSA-N 2 1 280.372 -1.270 20 0 CAADMP CNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[NH+](C)C1 ZINC000962551212 616645213 /nfs/dbraw/zinc/64/52/13/616645213.db2.gz HLMDKNUXWGHFQW-MEWQQHAOSA-N 2 1 280.372 -1.270 20 0 CAADMP CNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[NH+](C)C1 ZINC000962551212 616645216 /nfs/dbraw/zinc/64/52/16/616645216.db2.gz HLMDKNUXWGHFQW-MEWQQHAOSA-N 2 1 280.372 -1.270 20 0 CAADMP CNC(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[N@H+](C)C1 ZINC000962551212 616645219 /nfs/dbraw/zinc/64/52/19/616645219.db2.gz HLMDKNUXWGHFQW-MEWQQHAOSA-N 2 1 280.372 -1.270 20 0 CAADMP CNC(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC000962551212 616645221 /nfs/dbraw/zinc/64/52/21/616645221.db2.gz HLMDKNUXWGHFQW-MEWQQHAOSA-N 2 1 280.372 -1.270 20 0 CAADMP CNS(=O)(=O)CC[NH+]1CCC(O)(C[NH+](C)C)CC1 ZINC000931480044 656845073 /nfs/dbraw/zinc/84/50/73/656845073.db2.gz KLPDIBFSZZUKKO-UHFFFAOYSA-N 2 1 279.406 -1.076 20 0 CAADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H]([NH2+]CC(N)=O)C2)C1 ZINC001021079860 656012618 /nfs/dbraw/zinc/01/26/18/656012618.db2.gz FPMVLVMYTVCMMN-DCAQKATOSA-N 2 1 284.360 -1.571 20 0 CAADMP CC[N@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H]([NH2+]CC(N)=O)C2)C1 ZINC001021079860 656012622 /nfs/dbraw/zinc/01/26/22/656012622.db2.gz FPMVLVMYTVCMMN-DCAQKATOSA-N 2 1 284.360 -1.571 20 0 CAADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]CCO)C2)C1 ZINC001021074352 656012755 /nfs/dbraw/zinc/01/27/55/656012755.db2.gz PRGKMEODYVDJGR-IJLUTSLNSA-N 2 1 271.361 -1.064 20 0 CAADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]CCO)C2)C1 ZINC001021074352 656012757 /nfs/dbraw/zinc/01/27/57/656012757.db2.gz PRGKMEODYVDJGR-IJLUTSLNSA-N 2 1 271.361 -1.064 20 0 CAADMP Cc1[nH+]ccn1CC(=O)N1CC[C@@H]([NH2+]CC(N)=O)C1 ZINC000970723606 656017913 /nfs/dbraw/zinc/01/79/13/656017913.db2.gz CPJAHDJTGCHVHK-SNVBAGLBSA-N 2 1 265.317 -1.133 20 0 CAADMP C[N@@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+][C@H]3CCNC3=O)C2)C1 ZINC001021928797 656024470 /nfs/dbraw/zinc/02/44/70/656024470.db2.gz UAYMAKZNKZVQHB-WHOHXGKFSA-N 2 1 296.371 -1.558 20 0 CAADMP C[N@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+][C@H]3CCNC3=O)C2)C1 ZINC001021928797 656024475 /nfs/dbraw/zinc/02/44/75/656024475.db2.gz UAYMAKZNKZVQHB-WHOHXGKFSA-N 2 1 296.371 -1.558 20 0 CAADMP C[N@@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]CC(N)=O)C2)C1 ZINC001021928107 656024558 /nfs/dbraw/zinc/02/45/58/656024558.db2.gz MMMNYUYXPUSYTM-KXUCPTDWSA-N 2 1 270.333 -1.961 20 0 CAADMP C[N@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]CC(N)=O)C2)C1 ZINC001021928107 656024559 /nfs/dbraw/zinc/02/45/59/656024559.db2.gz MMMNYUYXPUSYTM-KXUCPTDWSA-N 2 1 270.333 -1.961 20 0 CAADMP C[N@@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+][C@@H]3CCNC3=O)C2)C1 ZINC001021928798 656024567 /nfs/dbraw/zinc/02/45/67/656024567.db2.gz UAYMAKZNKZVQHB-WRWGMCAJSA-N 2 1 296.371 -1.558 20 0 CAADMP C[N@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+][C@@H]3CCNC3=O)C2)C1 ZINC001021928798 656024569 /nfs/dbraw/zinc/02/45/69/656024569.db2.gz UAYMAKZNKZVQHB-WRWGMCAJSA-N 2 1 296.371 -1.558 20 0 CAADMP C[N@@H+]1CCO[C@H](C(=O)N[C@H]2C[C@@H]([NH2+][C@@H]3CCNC3=O)C2)C1 ZINC001021928795 656024585 /nfs/dbraw/zinc/02/45/85/656024585.db2.gz UAYMAKZNKZVQHB-KXNHARMFSA-N 2 1 296.371 -1.558 20 0 CAADMP C[N@H+]1CCO[C@H](C(=O)N[C@H]2C[C@@H]([NH2+][C@@H]3CCNC3=O)C2)C1 ZINC001021928795 656024587 /nfs/dbraw/zinc/02/45/87/656024587.db2.gz UAYMAKZNKZVQHB-KXNHARMFSA-N 2 1 296.371 -1.558 20 0 CAADMP C[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1)C(N)=O ZINC001021927096 656024752 /nfs/dbraw/zinc/02/47/52/656024752.db2.gz BLZIJIZJLVIGGV-ZNSHCXBVSA-N 2 1 284.360 -1.572 20 0 CAADMP C[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1)C(N)=O ZINC001021927096 656024754 /nfs/dbraw/zinc/02/47/54/656024754.db2.gz BLZIJIZJLVIGGV-ZNSHCXBVSA-N 2 1 284.360 -1.572 20 0 CAADMP NC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC001022119825 656026456 /nfs/dbraw/zinc/02/64/56/656026456.db2.gz JBYKFMOWFBZSJJ-KXNHARMFSA-N 2 1 296.371 -1.428 20 0 CAADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]CC(N)=O)C2)O1 ZINC001022277209 656027708 /nfs/dbraw/zinc/02/77/08/656027708.db2.gz YGEBUYXKYOZWKV-CHWFTXMASA-N 2 1 284.360 -1.572 20 0 CAADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]CC(N)=O)C2)O1 ZINC001022277209 656027711 /nfs/dbraw/zinc/02/77/11/656027711.db2.gz YGEBUYXKYOZWKV-CHWFTXMASA-N 2 1 284.360 -1.572 20 0 CAADMP C[C@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1)C(N)=O ZINC001022275981 656027839 /nfs/dbraw/zinc/02/78/39/656027839.db2.gz XAMTUOSRLVMMAL-CSYMLDBXSA-N 2 1 298.387 -1.184 20 0 CAADMP C[C@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1)C(N)=O ZINC001022275981 656027843 /nfs/dbraw/zinc/02/78/43/656027843.db2.gz XAMTUOSRLVMMAL-CSYMLDBXSA-N 2 1 298.387 -1.184 20 0 CAADMP CC(C)[N@@H+]1CCO[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]CC(N)=O)C2)C1 ZINC001022597896 656031761 /nfs/dbraw/zinc/03/17/61/656031761.db2.gz RLMKQZSOOGEKRA-TUAOUCFPSA-N 2 1 298.387 -1.182 20 0 CAADMP CC(C)[N@H+]1CCO[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]CC(N)=O)C2)C1 ZINC001022597896 656031763 /nfs/dbraw/zinc/03/17/63/656031763.db2.gz RLMKQZSOOGEKRA-TUAOUCFPSA-N 2 1 298.387 -1.182 20 0 CAADMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC(N)=O)C1 ZINC001022720505 656033506 /nfs/dbraw/zinc/03/35/06/656033506.db2.gz QYHWEIDRXYDZRG-UKKRHICBSA-N 2 1 268.361 -1.094 20 0 CAADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC(N)=O)C1 ZINC001022720506 656033629 /nfs/dbraw/zinc/03/36/29/656033629.db2.gz QYHWEIDRXYDZRG-ZNSHCXBVSA-N 2 1 268.361 -1.094 20 0 CAADMP C[C@@H]1CN(C(=O)C(=O)NC[C@H]2C[C@H](O)C[N@H+]2C)C[C@H]1C[NH3+] ZINC000926421172 656035271 /nfs/dbraw/zinc/03/52/71/656035271.db2.gz LRIKCOMAGCMAEV-KKOKHZNYSA-N 2 1 298.387 -1.779 20 0 CAADMP Cc1[nH+]ccn1CC(=O)N[C@H]1C[C@@H]([NH2+]CC(N)=O)C1 ZINC001023091366 656042275 /nfs/dbraw/zinc/04/22/75/656042275.db2.gz WXJJFQRXBYFDAN-AOOOYVTPSA-N 2 1 265.317 -1.086 20 0 CAADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+][C@H](C)C(N)=O)C2)C1 ZINC001023110255 656042597 /nfs/dbraw/zinc/04/25/97/656042597.db2.gz VCLBPHFXFICVHE-WISYIIOYSA-N 2 1 298.387 -1.182 20 0 CAADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+][C@H](C)C(N)=O)C2)C1 ZINC001023110255 656042600 /nfs/dbraw/zinc/04/26/00/656042600.db2.gz VCLBPHFXFICVHE-WISYIIOYSA-N 2 1 298.387 -1.182 20 0 CAADMP C[C@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001025719375 656067240 /nfs/dbraw/zinc/06/72/40/656067240.db2.gz NUCKIXOBDDEWKY-IEECTRCBSA-N 2 1 283.372 -1.256 20 0 CAADMP C[C@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001025719375 656067241 /nfs/dbraw/zinc/06/72/41/656067241.db2.gz NUCKIXOBDDEWKY-IEECTRCBSA-N 2 1 283.372 -1.256 20 0 CAADMP C[C@H](O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001025719375 656067244 /nfs/dbraw/zinc/06/72/44/656067244.db2.gz NUCKIXOBDDEWKY-IEECTRCBSA-N 2 1 283.372 -1.256 20 0 CAADMP C[C@H](O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001025719375 656067245 /nfs/dbraw/zinc/06/72/45/656067245.db2.gz NUCKIXOBDDEWKY-IEECTRCBSA-N 2 1 283.372 -1.256 20 0 CAADMP O=C(N[C@@H]1[C@H]2C[N@H+](CCO)C[C@H]21)[C@H]1C[NH+]2CCC[C@H]2CO1 ZINC001025798642 656067826 /nfs/dbraw/zinc/06/78/26/656067826.db2.gz BREQHONJPUEZCG-ODXJTPSBSA-N 2 1 295.383 -1.112 20 0 CAADMP O=C(N[C@@H]1[C@H]2C[NH+](CCO)C[C@H]21)[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001025798642 656067827 /nfs/dbraw/zinc/06/78/27/656067827.db2.gz BREQHONJPUEZCG-ODXJTPSBSA-N 2 1 295.383 -1.112 20 0 CAADMP O=C(N[C@@H]1[C@H]2C[NH+](CCO)C[C@H]21)[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001025798642 656067828 /nfs/dbraw/zinc/06/78/28/656067828.db2.gz BREQHONJPUEZCG-ODXJTPSBSA-N 2 1 295.383 -1.112 20 0 CAADMP O=C(N[C@@H]1[C@H]2C[N@H+](CCO)C[C@H]21)[C@H]1C[NH+]2CCC[C@@H]2CO1 ZINC001025798644 656068161 /nfs/dbraw/zinc/06/81/61/656068161.db2.gz BREQHONJPUEZCG-RGDJUOJXSA-N 2 1 295.383 -1.112 20 0 CAADMP O=C(N[C@@H]1[C@H]2C[NH+](CCO)C[C@H]21)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001025798644 656068163 /nfs/dbraw/zinc/06/81/63/656068163.db2.gz BREQHONJPUEZCG-RGDJUOJXSA-N 2 1 295.383 -1.112 20 0 CAADMP O=C(N[C@@H]1[C@H]2C[NH+](CCO)C[C@H]21)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001025798644 656068166 /nfs/dbraw/zinc/06/81/66/656068166.db2.gz BREQHONJPUEZCG-RGDJUOJXSA-N 2 1 295.383 -1.112 20 0 CAADMP Cn1nnnc1CN[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001019771547 656068669 /nfs/dbraw/zinc/06/86/69/656068669.db2.gz ROTPAHLLKRLBHB-MNOVXSKESA-N 2 1 293.375 -1.148 20 0 CAADMP Cn1nnnc1C[NH2+][C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001019771547 656068672 /nfs/dbraw/zinc/06/86/72/656068672.db2.gz ROTPAHLLKRLBHB-MNOVXSKESA-N 2 1 293.375 -1.148 20 0 CAADMP Cn1nnnc1C[NH2+][C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001019771547 656068676 /nfs/dbraw/zinc/06/86/76/656068676.db2.gz ROTPAHLLKRLBHB-MNOVXSKESA-N 2 1 293.375 -1.148 20 0 CAADMP CNC(=O)CN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[N@@H+](C)C[C@@H]1C ZINC001026044679 656070944 /nfs/dbraw/zinc/07/09/44/656070944.db2.gz QTQUWUIASKWQOL-SVPLCASGSA-N 2 1 294.399 -1.024 20 0 CAADMP CNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[NH+](C)C[C@@H]1C ZINC001026044679 656070946 /nfs/dbraw/zinc/07/09/46/656070946.db2.gz QTQUWUIASKWQOL-SVPLCASGSA-N 2 1 294.399 -1.024 20 0 CAADMP CNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[NH+](C)C[C@@H]1C ZINC001026044679 656070947 /nfs/dbraw/zinc/07/09/47/656070947.db2.gz QTQUWUIASKWQOL-SVPLCASGSA-N 2 1 294.399 -1.024 20 0 CAADMP CNC(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[N@H+](C)C[C@@H]1C ZINC001026044679 656070949 /nfs/dbraw/zinc/07/09/49/656070949.db2.gz QTQUWUIASKWQOL-SVPLCASGSA-N 2 1 294.399 -1.024 20 0 CAADMP CNC(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[N@@H+](C)C[C@@H]1C ZINC001026044679 656070950 /nfs/dbraw/zinc/07/09/50/656070950.db2.gz QTQUWUIASKWQOL-SVPLCASGSA-N 2 1 294.399 -1.024 20 0 CAADMP CNC(=O)CN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@@H+](C)C[C@@H]1C ZINC001026044680 656071007 /nfs/dbraw/zinc/07/10/07/656071007.db2.gz QTQUWUIASKWQOL-ZXPJVPCYSA-N 2 1 294.399 -1.024 20 0 CAADMP CNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+](C)C[C@@H]1C ZINC001026044680 656071008 /nfs/dbraw/zinc/07/10/08/656071008.db2.gz QTQUWUIASKWQOL-ZXPJVPCYSA-N 2 1 294.399 -1.024 20 0 CAADMP CNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+](C)C[C@@H]1C ZINC001026044680 656071009 /nfs/dbraw/zinc/07/10/09/656071009.db2.gz QTQUWUIASKWQOL-ZXPJVPCYSA-N 2 1 294.399 -1.024 20 0 CAADMP CNC(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@H+](C)C[C@@H]1C ZINC001026044680 656071010 /nfs/dbraw/zinc/07/10/10/656071010.db2.gz QTQUWUIASKWQOL-ZXPJVPCYSA-N 2 1 294.399 -1.024 20 0 CAADMP CNC(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@@H+](C)C[C@@H]1C ZINC001026044680 656071012 /nfs/dbraw/zinc/07/10/12/656071012.db2.gz QTQUWUIASKWQOL-ZXPJVPCYSA-N 2 1 294.399 -1.024 20 0 CAADMP CNC(=O)CN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@@H+](C)C[C@H]1C ZINC001026044677 656071042 /nfs/dbraw/zinc/07/10/42/656071042.db2.gz QTQUWUIASKWQOL-MOWSAHLDSA-N 2 1 294.399 -1.024 20 0 CAADMP CNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+](C)C[C@H]1C ZINC001026044677 656071044 /nfs/dbraw/zinc/07/10/44/656071044.db2.gz QTQUWUIASKWQOL-MOWSAHLDSA-N 2 1 294.399 -1.024 20 0 CAADMP CNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+](C)C[C@H]1C ZINC001026044677 656071045 /nfs/dbraw/zinc/07/10/45/656071045.db2.gz QTQUWUIASKWQOL-MOWSAHLDSA-N 2 1 294.399 -1.024 20 0 CAADMP CNC(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@H+](C)C[C@H]1C ZINC001026044677 656071046 /nfs/dbraw/zinc/07/10/46/656071046.db2.gz QTQUWUIASKWQOL-MOWSAHLDSA-N 2 1 294.399 -1.024 20 0 CAADMP CNC(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@@H+](C)C[C@H]1C ZINC001026044677 656071047 /nfs/dbraw/zinc/07/10/47/656071047.db2.gz QTQUWUIASKWQOL-MOWSAHLDSA-N 2 1 294.399 -1.024 20 0 CAADMP C[C@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[NH+](C)C1 ZINC001026145843 656071617 /nfs/dbraw/zinc/07/16/17/656071617.db2.gz OYJQTUUTUNROEW-LVEVGFFFSA-N 2 1 280.372 -1.142 20 0 CAADMP C[C@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[NH+](C)C1 ZINC001026145843 656071619 /nfs/dbraw/zinc/07/16/19/656071619.db2.gz OYJQTUUTUNROEW-LVEVGFFFSA-N 2 1 280.372 -1.142 20 0 CAADMP C[C@H](C(N)=O)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001026145843 656071626 /nfs/dbraw/zinc/07/16/26/656071626.db2.gz OYJQTUUTUNROEW-LVEVGFFFSA-N 2 1 280.372 -1.142 20 0 CAADMP C[C@H](C(N)=O)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001026145843 656071628 /nfs/dbraw/zinc/07/16/28/656071628.db2.gz OYJQTUUTUNROEW-LVEVGFFFSA-N 2 1 280.372 -1.142 20 0 CAADMP C[N@H+]1CC[C@H](C(=O)N[C@@H]2[C@H]3C[NH+]([C@@H]4CCNC4=O)C[C@H]32)C1 ZINC001026145927 656071705 /nfs/dbraw/zinc/07/17/05/656071705.db2.gz YEVDKETVKFFRSQ-KIJLLGNVSA-N 2 1 292.383 -1.127 20 0 CAADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2[C@H]3C[N@@H+]([C@@H]4CCNC4=O)C[C@H]32)C1 ZINC001026145927 656071710 /nfs/dbraw/zinc/07/17/10/656071710.db2.gz YEVDKETVKFFRSQ-KIJLLGNVSA-N 2 1 292.383 -1.127 20 0 CAADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2[C@H]3C[N@H+]([C@@H]4CCNC4=O)C[C@H]32)C1 ZINC001026145927 656071713 /nfs/dbraw/zinc/07/17/13/656071713.db2.gz YEVDKETVKFFRSQ-KIJLLGNVSA-N 2 1 292.383 -1.127 20 0 CAADMP COCC[N@@H+](C)C[C@H](O)CN1CCO[C@H](C[NH3+])C1 ZINC000311133899 656076647 /nfs/dbraw/zinc/07/66/47/656076647.db2.gz JZUJDWOVDMKVDH-NWDGAFQWSA-N 2 1 261.366 -1.415 20 0 CAADMP COCC[N@@H+](C)C[C@H](O)CN1CCCO[C@@H](C[NH3+])C1 ZINC000313374275 656081147 /nfs/dbraw/zinc/08/11/47/656081147.db2.gz KSGJEFTZVGYOFA-STQMWFEESA-N 2 1 275.393 -1.025 20 0 CAADMP COCC[N@@H+](C)C[C@@H](O)CN1CCCO[C@H](C[NH3+])C1 ZINC000313374271 656081375 /nfs/dbraw/zinc/08/13/75/656081375.db2.gz KSGJEFTZVGYOFA-CHWSQXEVSA-N 2 1 275.393 -1.025 20 0 CAADMP CN1CCO[C@@H](C(=O)N2CCC[C@H]([N@H+](C)CC(N)=O)C2)C1 ZINC001027347574 656083068 /nfs/dbraw/zinc/08/30/68/656083068.db2.gz XGIVWOWHSKNMNL-NWDGAFQWSA-N 2 1 298.387 -1.275 20 0 CAADMP CN1CCO[C@@H](C(=O)N2CCC[C@H]([N@@H+](C)CC(N)=O)C2)C1 ZINC001027347574 656083070 /nfs/dbraw/zinc/08/30/70/656083070.db2.gz XGIVWOWHSKNMNL-NWDGAFQWSA-N 2 1 298.387 -1.275 20 0 CAADMP C[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2CCC[NH+]2CCO)C1 ZINC001027806054 656095363 /nfs/dbraw/zinc/09/53/63/656095363.db2.gz CEEKOJVTANQCJW-NWDGAFQWSA-N 2 1 271.361 -1.110 20 0 CAADMP C[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2CCC[NH+]2CCO)C1 ZINC001027806054 656095374 /nfs/dbraw/zinc/09/53/74/656095374.db2.gz CEEKOJVTANQCJW-NWDGAFQWSA-N 2 1 271.361 -1.110 20 0 CAADMP C[NH+]1CCO[C@@H](C(=O)NC[C@@H]2CCC[N@@H+]2CCO)C1 ZINC001027806054 656095376 /nfs/dbraw/zinc/09/53/76/656095376.db2.gz CEEKOJVTANQCJW-NWDGAFQWSA-N 2 1 271.361 -1.110 20 0 CAADMP C[NH+]1CCO[C@@H](C(=O)NC[C@@H]2CCC[N@H+]2CCO)C1 ZINC001027806054 656095378 /nfs/dbraw/zinc/09/53/78/656095378.db2.gz CEEKOJVTANQCJW-NWDGAFQWSA-N 2 1 271.361 -1.110 20 0 CAADMP CN1CCO[C@H](C(=O)NC[C@@H]2CC[N@@H+](CC(N)=O)C2)C1 ZINC001028466852 656114648 /nfs/dbraw/zinc/11/46/48/656114648.db2.gz SWFKMLSXRFETOA-QWRGUYRKSA-N 2 1 284.360 -1.760 20 0 CAADMP CN1CCO[C@H](C(=O)NC[C@@H]2CCN(CC(N)=O)C2)C1 ZINC001028466852 656114649 /nfs/dbraw/zinc/11/46/49/656114649.db2.gz SWFKMLSXRFETOA-QWRGUYRKSA-N 2 1 284.360 -1.760 20 0 CAADMP CN1CCO[C@@H](C(=O)NC[C@H]2CC[N@@H+](CCO)C2)C1 ZINC001028461270 656114665 /nfs/dbraw/zinc/11/46/65/656114665.db2.gz NIMKHFINKWSWSJ-VXGBXAGGSA-N 2 1 271.361 -1.253 20 0 CAADMP C[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2CC[NH+](CCO)C2)C1 ZINC001028461270 656114667 /nfs/dbraw/zinc/11/46/67/656114667.db2.gz NIMKHFINKWSWSJ-VXGBXAGGSA-N 2 1 271.361 -1.253 20 0 CAADMP C[N@H+]1CCO[C@@H](C(=O)NC[C@H]2CC[NH+](CCO)C2)C1 ZINC001028461270 656114669 /nfs/dbraw/zinc/11/46/69/656114669.db2.gz NIMKHFINKWSWSJ-VXGBXAGGSA-N 2 1 271.361 -1.253 20 0 CAADMP C[NH+]1CCO[C@@H](C(=O)NC[C@H]2CC[N@H+](CCO)C2)C1 ZINC001028461270 656114670 /nfs/dbraw/zinc/11/46/70/656114670.db2.gz NIMKHFINKWSWSJ-VXGBXAGGSA-N 2 1 271.361 -1.253 20 0 CAADMP C[NH+]1CCO[C@@H](C(=O)NC[C@H]2CC[N@@H+](CCO)C2)C1 ZINC001028461270 656114671 /nfs/dbraw/zinc/11/46/71/656114671.db2.gz NIMKHFINKWSWSJ-VXGBXAGGSA-N 2 1 271.361 -1.253 20 0 CAADMP CN1CCO[C@@H](C(=O)NC[C@H]2CC[N@@H+](CC(N)=O)C2)C1 ZINC001028466847 656114944 /nfs/dbraw/zinc/11/49/44/656114944.db2.gz SWFKMLSXRFETOA-GHMZBOCLSA-N 2 1 284.360 -1.760 20 0 CAADMP CN1CCO[C@@H](C(=O)NC[C@H]2CCN(CC(N)=O)C2)C1 ZINC001028466847 656114945 /nfs/dbraw/zinc/11/49/45/656114945.db2.gz SWFKMLSXRFETOA-GHMZBOCLSA-N 2 1 284.360 -1.760 20 0 CAADMP CN1CCO[C@@H](C(=O)NC[C@@H]2CC[N@@H+](CCO)C2)C1 ZINC001028461268 656115004 /nfs/dbraw/zinc/11/50/04/656115004.db2.gz NIMKHFINKWSWSJ-NWDGAFQWSA-N 2 1 271.361 -1.253 20 0 CAADMP C[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2CC[NH+](CCO)C2)C1 ZINC001028461268 656115005 /nfs/dbraw/zinc/11/50/05/656115005.db2.gz NIMKHFINKWSWSJ-NWDGAFQWSA-N 2 1 271.361 -1.253 20 0 CAADMP C[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2CC[NH+](CCO)C2)C1 ZINC001028461268 656115009 /nfs/dbraw/zinc/11/50/09/656115009.db2.gz NIMKHFINKWSWSJ-NWDGAFQWSA-N 2 1 271.361 -1.253 20 0 CAADMP C[NH+]1CCO[C@@H](C(=O)NC[C@@H]2CC[N@H+](CCO)C2)C1 ZINC001028461268 656115010 /nfs/dbraw/zinc/11/50/10/656115010.db2.gz NIMKHFINKWSWSJ-NWDGAFQWSA-N 2 1 271.361 -1.253 20 0 CAADMP C[NH+]1CCO[C@@H](C(=O)NC[C@@H]2CC[N@@H+](CCO)C2)C1 ZINC001028461268 656115013 /nfs/dbraw/zinc/11/50/13/656115013.db2.gz NIMKHFINKWSWSJ-NWDGAFQWSA-N 2 1 271.361 -1.253 20 0 CAADMP CN1C[C@H](O)C[C@]1(C)C(=O)NC[C@H]1C[C@@H](O)C[N@H+]1C ZINC000924973722 656121212 /nfs/dbraw/zinc/12/12/12/656121212.db2.gz FNXFFUXASMJQNT-PRULPYPASA-N 2 1 271.361 -1.377 20 0 CAADMP CN1C[C@H](O)C[C@@]1(C)C(=O)NC[C@H]1C[C@@H](O)C[N@H+]1C ZINC000924973723 656121758 /nfs/dbraw/zinc/12/17/58/656121758.db2.gz FNXFFUXASMJQNT-UZWSLXQKSA-N 2 1 271.361 -1.377 20 0 CAADMP C[N@@H+](CCO)CCNC(=O)[C@]1(C)C[C@@H](O)C[NH+]1C ZINC000925004307 656123200 /nfs/dbraw/zinc/12/32/00/656123200.db2.gz VZFIHTAKKJYDJN-PWSUYJOCSA-N 2 1 259.350 -1.518 20 0 CAADMP C[NH+](CCO)CCNC(=O)[C@]1(C)C[C@@H](O)C[N@@H+]1C ZINC000925004307 656123204 /nfs/dbraw/zinc/12/32/04/656123204.db2.gz VZFIHTAKKJYDJN-PWSUYJOCSA-N 2 1 259.350 -1.518 20 0 CAADMP C[NH+](CCO)CCNC(=O)[C@]1(C)C[C@@H](O)C[N@H+]1C ZINC000925004307 656123206 /nfs/dbraw/zinc/12/32/06/656123206.db2.gz VZFIHTAKKJYDJN-PWSUYJOCSA-N 2 1 259.350 -1.518 20 0 CAADMP C[N@H+]1CC[C@H](C(=O)NC[C@H]2CC[NH+](CC(N)=O)C2)C1 ZINC001028985031 656123954 /nfs/dbraw/zinc/12/39/54/656123954.db2.gz HDBZKBICSQHZTD-MNOVXSKESA-N 2 1 268.361 -1.139 20 0 CAADMP C[NH+]1CC[C@H](C(=O)NC[C@H]2CC[N@H+](CC(N)=O)C2)C1 ZINC001028985031 656123956 /nfs/dbraw/zinc/12/39/56/656123956.db2.gz HDBZKBICSQHZTD-MNOVXSKESA-N 2 1 268.361 -1.139 20 0 CAADMP C[NH+]1CC[C@H](C(=O)NC[C@H]2CC[N@@H+](CC(N)=O)C2)C1 ZINC001028985031 656123960 /nfs/dbraw/zinc/12/39/60/656123960.db2.gz HDBZKBICSQHZTD-MNOVXSKESA-N 2 1 268.361 -1.139 20 0 CAADMP C[NH+]1CC[C@H]1CNC(=O)COCC(=O)NC[C@@H]1CC[N@@H+]1C ZINC000928563784 656127396 /nfs/dbraw/zinc/12/73/96/656127396.db2.gz RPMAHEHJPBQONW-RYUDHWBXSA-N 2 1 298.387 -1.356 20 0 CAADMP CN1CCO[C@@H](C(=O)N[C@@H]2CCC[N@@H+](CCO)C2)C1 ZINC001007005929 656129842 /nfs/dbraw/zinc/12/98/42/656129842.db2.gz AAOLDGBCNLXSNY-VXGBXAGGSA-N 2 1 271.361 -1.110 20 0 CAADMP CN1CCO[C@@H](C(=O)N[C@@H]2CCCN(CCO)C2)C1 ZINC001007005929 656129844 /nfs/dbraw/zinc/12/98/44/656129844.db2.gz AAOLDGBCNLXSNY-VXGBXAGGSA-N 2 1 271.361 -1.110 20 0 CAADMP C[C@@H]1C[C@@H]([NH2+]CC(N)=O)CN1C(=O)CC[NH+]1CCOCC1 ZINC000989559653 656150044 /nfs/dbraw/zinc/15/00/44/656150044.db2.gz UAHXDIXNFJDRIX-VXGBXAGGSA-N 2 1 298.387 -1.227 20 0 CAADMP C[C@H]([NH2+]C1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1)C(N)=O ZINC000990571534 656162392 /nfs/dbraw/zinc/16/23/92/656162392.db2.gz UQMWLKHBBSKRAT-JQWIXIFHSA-N 2 1 298.387 -1.229 20 0 CAADMP C[C@H]([NH2+]C1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1)C(N)=O ZINC000990571534 656162393 /nfs/dbraw/zinc/16/23/93/656162393.db2.gz UQMWLKHBBSKRAT-JQWIXIFHSA-N 2 1 298.387 -1.229 20 0 CAADMP C[C@H]([NH2+]C1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1)C(N)=O ZINC000990571486 656162430 /nfs/dbraw/zinc/16/24/30/656162430.db2.gz UQMWLKHBBSKRAT-CMPLNLGQSA-N 2 1 298.387 -1.229 20 0 CAADMP C[C@H]([NH2+]C1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1)C(N)=O ZINC000990571486 656162431 /nfs/dbraw/zinc/16/24/31/656162431.db2.gz UQMWLKHBBSKRAT-CMPLNLGQSA-N 2 1 298.387 -1.229 20 0 CAADMP C[N@@H+]1CCO[C@H](C(=O)N2CCC([NH2+]CCO)CC2)C1 ZINC000990571449 656162440 /nfs/dbraw/zinc/16/24/40/656162440.db2.gz UEMMSSVQTBHJJX-LBPRGKRZSA-N 2 1 271.361 -1.110 20 0 CAADMP C[N@H+]1CCO[C@H](C(=O)N2CCC([NH2+]CCO)CC2)C1 ZINC000990571449 656162443 /nfs/dbraw/zinc/16/24/43/656162443.db2.gz UEMMSSVQTBHJJX-LBPRGKRZSA-N 2 1 271.361 -1.110 20 0 CAADMP C[NH+](C)C[C@](C)(O)CNC(=O)[C@]1(C)C[C@@H](O)C[N@@H+]1C ZINC000901186288 656178533 /nfs/dbraw/zinc/17/85/33/656178533.db2.gz LRSYTGRQEMIEEZ-RTXFEEFZSA-N 2 1 273.377 -1.130 20 0 CAADMP C[NH+](C)C[C@](C)(O)CNC(=O)[C@]1(C)C[C@@H](O)C[N@H+]1C ZINC000901186288 656178535 /nfs/dbraw/zinc/17/85/35/656178535.db2.gz LRSYTGRQEMIEEZ-RTXFEEFZSA-N 2 1 273.377 -1.130 20 0 CAADMP C[NH+](C)C[C@](C)(O)CNC(=O)[C@@]1(C)C[C@H](O)C[N@@H+]1C ZINC000901186261 656178545 /nfs/dbraw/zinc/17/85/45/656178545.db2.gz LRSYTGRQEMIEEZ-CYZMBNFOSA-N 2 1 273.377 -1.130 20 0 CAADMP C[NH+](C)C[C@](C)(O)CNC(=O)[C@@]1(C)C[C@H](O)C[N@H+]1C ZINC000901186261 656178546 /nfs/dbraw/zinc/17/85/46/656178546.db2.gz LRSYTGRQEMIEEZ-CYZMBNFOSA-N 2 1 273.377 -1.130 20 0 CAADMP O=S(=O)(N1CCC[C@@]12CC[NH2+]C2)N1CC[NH2+]CC1 ZINC000903593518 656185380 /nfs/dbraw/zinc/18/53/80/656185380.db2.gz ODYFJOHYDURWCB-NSHDSACASA-N 2 1 274.390 -1.036 20 0 CAADMP COCC[C@H]1C[NH2+]CCN1S(=O)(=O)C1C[NH2+]C1 ZINC000903576210 656185492 /nfs/dbraw/zinc/18/54/92/656185492.db2.gz ONCZTNWAHNSYBS-VIFPVBQESA-N 2 1 263.363 -1.402 20 0 CAADMP COC[C@H]1C[NH2+]CCN1S(=O)(=O)N1CC[NH2+]CC1 ZINC000903600782 656185852 /nfs/dbraw/zinc/18/58/52/656185852.db2.gz GSPBMJPFLMDOHC-SNVBAGLBSA-N 2 1 278.378 -1.943 20 0 CAADMP COC[C@H]1C[NH2+]CCN1S(=O)(=O)C[C@@H]1C[NH2+]CCO1 ZINC000903597866 656186582 /nfs/dbraw/zinc/18/65/82/656186582.db2.gz FUCZAFYERHHQGR-MNOVXSKESA-N 2 1 293.389 -1.775 20 0 CAADMP O[C@@H](CN1CCNCC[NH2+]CC1)C[NH+]1CCCC1 ZINC000903787661 656186803 /nfs/dbraw/zinc/18/68/03/656186803.db2.gz XYXSKJKJQLYPOV-CYBMUJFWSA-N 2 1 256.394 -1.062 20 0 CAADMP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](CC(=O)N1CCNC(=O)C1)C2 ZINC000903846305 656187339 /nfs/dbraw/zinc/18/73/39/656187339.db2.gz CYQLWGBARQYYCU-AXFHLTTASA-N 2 1 266.345 -1.244 20 0 CAADMP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](CC(=O)N1CCNC(=O)C1)C2 ZINC000903846305 656187340 /nfs/dbraw/zinc/18/73/40/656187340.db2.gz CYQLWGBARQYYCU-AXFHLTTASA-N 2 1 266.345 -1.244 20 0 CAADMP C[N@H+]1C[C@@H]2CN(C(=O)C(=O)N3CC[C@@H]([NH3+])C3)C[C@]2(C)C1 ZINC000904955438 656188686 /nfs/dbraw/zinc/18/86/86/656188686.db2.gz CRPDDPWLOQKDID-GYSYKLTISA-N 2 1 280.372 -1.044 20 0 CAADMP CN(CC[NH3+])C(=O)C(=O)N1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000904961221 656188693 /nfs/dbraw/zinc/18/86/93/656188693.db2.gz NSTYTPIGFZMACC-GXFFZTMASA-N 2 1 268.361 -1.186 20 0 CAADMP CN(CC[NH3+])C(=O)C(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC000904991949 656189460 /nfs/dbraw/zinc/18/94/60/656189460.db2.gz ZOZYSESCRNNGDJ-NEPJUHHUSA-N 2 1 298.387 -1.539 20 0 CAADMP O=S(=O)(CC1CC[NH2+]CC1)NC[C@H]1COCC[NH2+]1 ZINC000905360398 656190589 /nfs/dbraw/zinc/19/05/89/656190589.db2.gz BHPCDMZKIYWIHA-NSHDSACASA-N 2 1 277.390 -1.106 20 0 CAADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C1CN(C)CC[NH+](C)C1 ZINC000906649926 656193954 /nfs/dbraw/zinc/19/39/54/656193954.db2.gz IXOBLPOFAQBVRH-AWEZNQCLSA-N 2 1 297.447 -1.158 20 0 CAADMP CN1CC[NH+](C)C[C@@H]1CNC(=O)C1CN(C)CC[N@H+](C)C1 ZINC000906649926 656193956 /nfs/dbraw/zinc/19/39/56/656193956.db2.gz IXOBLPOFAQBVRH-AWEZNQCLSA-N 2 1 297.447 -1.158 20 0 CAADMP CN1CC[NH+](C)C[C@@H]1CNC(=O)C1CN(C)CC[N@@H+](C)C1 ZINC000906649926 656193958 /nfs/dbraw/zinc/19/39/58/656193958.db2.gz IXOBLPOFAQBVRH-AWEZNQCLSA-N 2 1 297.447 -1.158 20 0 CAADMP CN1CC[N@@H+](C)CC(C(=O)NC[C@@](C)(O)C[NH+](C)C)C1 ZINC000907114967 656195232 /nfs/dbraw/zinc/19/52/32/656195232.db2.gz HTZIODKBAAFJDW-CQSZACIVSA-N 2 1 286.420 -1.091 20 0 CAADMP CN1CC[N@@H+](C)CC(C(=O)NC[C@](C)(O)C[NH+](C)C)C1 ZINC000907114966 656195656 /nfs/dbraw/zinc/19/56/56/656195656.db2.gz HTZIODKBAAFJDW-AWEZNQCLSA-N 2 1 286.420 -1.091 20 0 CAADMP CN1CC[N@@H+](C)CC(C(=O)NC[C@@]2(O)CC[NH+](C)C2)C1 ZINC000907388536 656197919 /nfs/dbraw/zinc/19/79/19/656197919.db2.gz PEHQINMEUNDZPI-AWEZNQCLSA-N 2 1 284.404 -1.337 20 0 CAADMP CN1CC[NH+](C)CC(C(=O)NC[C@@]2(O)CC[N@H+](C)C2)C1 ZINC000907388536 656197921 /nfs/dbraw/zinc/19/79/21/656197921.db2.gz PEHQINMEUNDZPI-AWEZNQCLSA-N 2 1 284.404 -1.337 20 0 CAADMP CN1CC[NH+](C)CC(C(=O)NC[C@@]2(O)CC[N@@H+](C)C2)C1 ZINC000907388536 656197924 /nfs/dbraw/zinc/19/79/24/656197924.db2.gz PEHQINMEUNDZPI-AWEZNQCLSA-N 2 1 284.404 -1.337 20 0 CAADMP C[NH+]1C[C@H](O)C[C@@]1(C)C(=O)NC[C@@]1(O)CC[N@@H+](C)C1 ZINC000907386975 656198127 /nfs/dbraw/zinc/19/81/27/656198127.db2.gz HDRWFCFIHSUHDV-WXHSDQCUSA-N 2 1 271.361 -1.376 20 0 CAADMP C[NH+]1C[C@H](O)C[C@@]1(C)C(=O)NC[C@@]1(O)CC[N@H+](C)C1 ZINC000907386975 656198128 /nfs/dbraw/zinc/19/81/28/656198128.db2.gz HDRWFCFIHSUHDV-WXHSDQCUSA-N 2 1 271.361 -1.376 20 0 CAADMP C[NH+]1CC[C@](O)(CNC(=O)[C@]2(C)C[C@@H](O)C[N@@H+]2C)C1 ZINC000907386975 656198130 /nfs/dbraw/zinc/19/81/30/656198130.db2.gz HDRWFCFIHSUHDV-WXHSDQCUSA-N 2 1 271.361 -1.376 20 0 CAADMP C[NH+]1CC[C@](O)(CNC(=O)[C@]2(C)C[C@@H](O)C[N@H+]2C)C1 ZINC000907386975 656198131 /nfs/dbraw/zinc/19/81/31/656198131.db2.gz HDRWFCFIHSUHDV-WXHSDQCUSA-N 2 1 271.361 -1.376 20 0 CAADMP CN1CC[N@@H+](C)CC(C(=O)NC[C@]2(O)CC[NH+](C)C2)C1 ZINC000907388537 656198135 /nfs/dbraw/zinc/19/81/35/656198135.db2.gz PEHQINMEUNDZPI-CQSZACIVSA-N 2 1 284.404 -1.337 20 0 CAADMP CN1CC[NH+](C)CC(C(=O)NC[C@]2(O)CC[N@H+](C)C2)C1 ZINC000907388537 656198136 /nfs/dbraw/zinc/19/81/36/656198136.db2.gz PEHQINMEUNDZPI-CQSZACIVSA-N 2 1 284.404 -1.337 20 0 CAADMP CN1CC[NH+](C)CC(C(=O)NC[C@]2(O)CC[N@@H+](C)C2)C1 ZINC000907388537 656198138 /nfs/dbraw/zinc/19/81/38/656198138.db2.gz PEHQINMEUNDZPI-CQSZACIVSA-N 2 1 284.404 -1.337 20 0 CAADMP C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)NC[C@@H]1C[NH+]2CCN1CCC2 ZINC000908026698 656205446 /nfs/dbraw/zinc/20/54/46/656205446.db2.gz BBPMOYUDHMGFOF-UMVBOHGHSA-N 2 1 296.415 -1.052 20 0 CAADMP C[NH+]1C[C@H](O)C[C@]1(C)C(=O)NC[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000908026698 656205449 /nfs/dbraw/zinc/20/54/49/656205449.db2.gz BBPMOYUDHMGFOF-UMVBOHGHSA-N 2 1 296.415 -1.052 20 0 CAADMP C[NH+]1C[C@H](O)C[C@]1(C)C(=O)NC[C@@H]1C[N@H+]2CCN1CCC2 ZINC000908026698 656205452 /nfs/dbraw/zinc/20/54/52/656205452.db2.gz BBPMOYUDHMGFOF-UMVBOHGHSA-N 2 1 296.415 -1.052 20 0 CAADMP C[NH+](C)C[C@H](CO)NC(=O)[C@@]1(C)C[C@@H](O)C[N@H+]1C ZINC000908200319 656210477 /nfs/dbraw/zinc/21/04/77/656210477.db2.gz IRZHNNHGESSEJF-CKYFFXLPSA-N 2 1 259.350 -1.520 20 0 CAADMP CN1CC[N@@H+](C)CC(C(=O)N[C@@H](CO)C[NH+](C)C)C1 ZINC000908201544 656210573 /nfs/dbraw/zinc/21/05/73/656210573.db2.gz QNRSSNHCVIBVMM-GFCCVEGCSA-N 2 1 272.393 -1.482 20 0 CAADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000911033309 656232779 /nfs/dbraw/zinc/23/27/79/656232779.db2.gz ZPINXSKKKDLYPU-RYUDHWBXSA-N 2 1 297.403 -1.702 20 0 CAADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000911033308 656233147 /nfs/dbraw/zinc/23/31/47/656233147.db2.gz ZPINXSKKKDLYPU-NWDGAFQWSA-N 2 1 297.403 -1.702 20 0 CAADMP COC[C@H]1C[NH2+]CCN1C(=O)C(=O)NCC[N@@H+](C)C1CC1 ZINC000911060331 656233625 /nfs/dbraw/zinc/23/36/25/656233625.db2.gz LANCQFLVJMEZIX-GFCCVEGCSA-N 2 1 298.387 -1.356 20 0 CAADMP C[C@@H](NC(=O)C(=O)N1CCC[C@H]([NH3+])C1)[C@@H]1C[N@H+](C)CCO1 ZINC000911162207 656235624 /nfs/dbraw/zinc/23/56/24/656235624.db2.gz NUVNOJDPOMCJBP-WOPDTQHZSA-N 2 1 298.387 -1.229 20 0 CAADMP C[C@@H](NC(=O)C(=O)N1CCC[C@H]([NH3+])C1)[C@@H]1C[N@@H+](C)CCO1 ZINC000911162207 656235628 /nfs/dbraw/zinc/23/56/28/656235628.db2.gz NUVNOJDPOMCJBP-WOPDTQHZSA-N 2 1 298.387 -1.229 20 0 CAADMP C[C@@H](NC(=O)C(=O)N1CCC[C@H]([NH3+])C1)[C@H]1C[N@H+](C)CCO1 ZINC000911162204 656235735 /nfs/dbraw/zinc/23/57/35/656235735.db2.gz NUVNOJDPOMCJBP-GRYCIOLGSA-N 2 1 298.387 -1.229 20 0 CAADMP C[C@@H](NC(=O)C(=O)N1CCC[C@H]([NH3+])C1)[C@H]1C[N@@H+](C)CCO1 ZINC000911162204 656235737 /nfs/dbraw/zinc/23/57/37/656235737.db2.gz NUVNOJDPOMCJBP-GRYCIOLGSA-N 2 1 298.387 -1.229 20 0 CAADMP C[C@@H](NC(=O)C(=O)N1C[C@@H](C)[C@H]([NH3+])C1)[C@H]1C[N@H+](C)CCO1 ZINC000911161649 656235818 /nfs/dbraw/zinc/23/58/18/656235818.db2.gz KHNWBNABJXNWRC-DDHJBXDOSA-N 2 1 298.387 -1.373 20 0 CAADMP C[C@@H](NC(=O)C(=O)N1C[C@@H](C)[C@H]([NH3+])C1)[C@H]1C[N@@H+](C)CCO1 ZINC000911161649 656235821 /nfs/dbraw/zinc/23/58/21/656235821.db2.gz KHNWBNABJXNWRC-DDHJBXDOSA-N 2 1 298.387 -1.373 20 0 CAADMP C[C@@H](NC(=O)C(=O)N[C@@H]1C[NH2+]C[C@H]1C)[C@H]1C[N@H+](C)CCO1 ZINC000911163262 656235959 /nfs/dbraw/zinc/23/59/59/656235959.db2.gz UKGSNDFNRUBRRQ-DDHJBXDOSA-N 2 1 298.387 -1.454 20 0 CAADMP C[C@@H](NC(=O)C(=O)N[C@@H]1C[NH2+]C[C@H]1C)[C@H]1C[N@@H+](C)CCO1 ZINC000911163262 656235965 /nfs/dbraw/zinc/23/59/65/656235965.db2.gz UKGSNDFNRUBRRQ-DDHJBXDOSA-N 2 1 298.387 -1.454 20 0 CAADMP C[C@H](NC(=O)C(=O)N1CCC[C@H]([NH3+])C1)[C@@H]1C[N@H+](C)CCO1 ZINC000911162206 656236026 /nfs/dbraw/zinc/23/60/26/656236026.db2.gz NUVNOJDPOMCJBP-SRVKXCTJSA-N 2 1 298.387 -1.229 20 0 CAADMP C[C@H](NC(=O)C(=O)N1CCC[C@H]([NH3+])C1)[C@@H]1C[N@@H+](C)CCO1 ZINC000911162206 656236033 /nfs/dbraw/zinc/23/60/33/656236033.db2.gz NUVNOJDPOMCJBP-SRVKXCTJSA-N 2 1 298.387 -1.229 20 0 CAADMP C[C@@H](NC(=O)C(=O)NCC1([NH3+])CC1)[C@@H]1C[N@H+](C)CCO1 ZINC000911161361 656236134 /nfs/dbraw/zinc/23/61/34/656236134.db2.gz ISEYMAPXCLXWKJ-ZJUUUORDSA-N 2 1 284.360 -1.571 20 0 CAADMP C[C@@H](NC(=O)C(=O)NCC1([NH3+])CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000911161361 656236135 /nfs/dbraw/zinc/23/61/35/656236135.db2.gz ISEYMAPXCLXWKJ-ZJUUUORDSA-N 2 1 284.360 -1.571 20 0 CAADMP COCC[N@@H+](C)CCNC(=O)C(=O)N1C[C@@H](C)[C@H]([NH3+])C1 ZINC000911155241 656236138 /nfs/dbraw/zinc/23/61/38/656236138.db2.gz HKEBXYJMQKHTES-GHMZBOCLSA-N 2 1 286.376 -1.514 20 0 CAADMP COCCC[N@@H+](C)CCNC(=O)C(=O)NCC1([NH3+])CC1 ZINC000911176915 656236425 /nfs/dbraw/zinc/23/64/25/656236425.db2.gz QIUOCKKHUXCZPF-UHFFFAOYSA-N 2 1 286.376 -1.322 20 0 CAADMP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2C[C@@H](C)[C@H]([NH3+])C2)C1 ZINC000911243768 656237793 /nfs/dbraw/zinc/23/77/93/656237793.db2.gz ZWSUYWJSMGQLAI-IJLUTSLNSA-N 2 1 298.387 -1.371 20 0 CAADMP C[C@@H]1CN(C(=O)C(=O)NCCC[NH+]2CCOCC2)C[C@H]1[NH3+] ZINC000911248119 656239128 /nfs/dbraw/zinc/23/91/28/656239128.db2.gz TYBFAHHKDFAHPM-VXGBXAGGSA-N 2 1 298.387 -1.370 20 0 CAADMP C[NH2+]CCNC(=O)C(=O)N1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000911280851 656239951 /nfs/dbraw/zinc/23/99/51/656239951.db2.gz MFHITBHHKSHZTO-GXFFZTMASA-N 2 1 268.361 -1.268 20 0 CAADMP C[C@@H](C[NH3+])NC(=O)C(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC000911299041 656240147 /nfs/dbraw/zinc/24/01/47/656240147.db2.gz YZHQAGKMWNSFQB-QJPTWQEYSA-N 2 1 298.387 -1.493 20 0 CAADMP [NH3+]CCNC(=O)C(=O)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC000911268069 656240195 /nfs/dbraw/zinc/24/01/95/656240195.db2.gz UILGPNIITOOFOL-WDEREUQCSA-N 2 1 284.360 -1.881 20 0 CAADMP [NH3+]CCNC(=O)C(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC000911268056 656240214 /nfs/dbraw/zinc/24/02/14/656240214.db2.gz UILGPNIITOOFOL-GHMZBOCLSA-N 2 1 284.360 -1.881 20 0 CAADMP C[C@@H](C[NH3+])NC(=O)C(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC000911299046 656240240 /nfs/dbraw/zinc/24/02/40/656240240.db2.gz YZHQAGKMWNSFQB-TUAOUCFPSA-N 2 1 298.387 -1.493 20 0 CAADMP C[C@H](C[NH3+])NC(=O)C(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC000911299048 656240290 /nfs/dbraw/zinc/24/02/90/656240290.db2.gz YZHQAGKMWNSFQB-UTUOFQBUSA-N 2 1 298.387 -1.493 20 0 CAADMP C[C@H](C[NH3+])NC(=O)C(=O)N1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000911293806 656240306 /nfs/dbraw/zinc/24/03/06/656240306.db2.gz DZRGESNZVRYFAS-GBIKHYSHSA-N 2 1 268.361 -1.140 20 0 CAADMP C[C@@H](C[NH3+])NC(=O)C(=O)N1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000911293810 656240498 /nfs/dbraw/zinc/24/04/98/656240498.db2.gz DZRGESNZVRYFAS-OUJBWJOFSA-N 2 1 268.361 -1.140 20 0 CAADMP C[C@H](C[NH3+])NC(=O)C(=O)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC000911299050 656240720 /nfs/dbraw/zinc/24/07/20/656240720.db2.gz YZHQAGKMWNSFQB-WOPDTQHZSA-N 2 1 298.387 -1.493 20 0 CAADMP C[C@H]([NH3+])CNC(=O)C(=O)N1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000911284016 656240863 /nfs/dbraw/zinc/24/08/63/656240863.db2.gz YLUVNAJGRCGNGR-OUJBWJOFSA-N 2 1 268.361 -1.140 20 0 CAADMP C[C@@H]([NH3+])CNC(=O)C(=O)N1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000911284015 656241051 /nfs/dbraw/zinc/24/10/51/656241051.db2.gz YLUVNAJGRCGNGR-GBIKHYSHSA-N 2 1 268.361 -1.140 20 0 CAADMP O=C(NC1C[NH2+]C1)C(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000911286878 656241453 /nfs/dbraw/zinc/24/14/53/656241453.db2.gz AHEYHARAQVCCAS-GHMZBOCLSA-N 2 1 298.412 -1.230 20 0 CAADMP O=C(NC1C[NH2+]C1)C(=O)N[C@@H]1CCC[N@H+]2CCSC[C@H]12 ZINC000911286878 656241462 /nfs/dbraw/zinc/24/14/62/656241462.db2.gz AHEYHARAQVCCAS-GHMZBOCLSA-N 2 1 298.412 -1.230 20 0 CAADMP O=C(NC1C[NH2+]C1)C(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC000911289060 656241718 /nfs/dbraw/zinc/24/17/18/656241718.db2.gz YGFBAYVIFFTBPF-NWDGAFQWSA-N 2 1 296.371 -1.868 20 0 CAADMP O=C(NC1C[NH2+]C1)C(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000911289062 656241779 /nfs/dbraw/zinc/24/17/79/656241779.db2.gz YGFBAYVIFFTBPF-RYUDHWBXSA-N 2 1 296.371 -1.868 20 0 CAADMP O=C(NC1C[NH2+]C1)C(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000911289057 656241860 /nfs/dbraw/zinc/24/18/60/656241860.db2.gz YGFBAYVIFFTBPF-NEPJUHHUSA-N 2 1 296.371 -1.868 20 0 CAADMP O=C(NC1C[NH2+]C1)C(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC000911289065 656241880 /nfs/dbraw/zinc/24/18/80/656241880.db2.gz YGFBAYVIFFTBPF-VXGBXAGGSA-N 2 1 296.371 -1.868 20 0 CAADMP O=C(NC1C[NH2+]C1)C(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000911286894 656241944 /nfs/dbraw/zinc/24/19/44/656241944.db2.gz AHEYHARAQVCCAS-MNOVXSKESA-N 2 1 298.412 -1.230 20 0 CAADMP O=C(NC1C[NH2+]C1)C(=O)N[C@@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC000911286894 656241946 /nfs/dbraw/zinc/24/19/46/656241946.db2.gz AHEYHARAQVCCAS-MNOVXSKESA-N 2 1 298.412 -1.230 20 0 CAADMP C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000911367874 656242657 /nfs/dbraw/zinc/24/26/57/656242657.db2.gz RYYRKNDENSLSSC-WRWGMCAJSA-N 2 1 296.371 -2.012 20 0 CAADMP [NH3+]C1(CNC(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)CC1 ZINC000911506349 656249037 /nfs/dbraw/zinc/24/90/37/656249037.db2.gz LGSHDQCIKZTLRV-VHSXEESVSA-N 2 1 282.344 -2.129 20 0 CAADMP CN(CC[N@@H+](C)CCO)C(=O)[C@]1(C)C[C@@H](O)C[NH+]1C ZINC000912601011 656261819 /nfs/dbraw/zinc/26/18/19/656261819.db2.gz SJLXFTFQMOUDIP-YPMHNXCESA-N 2 1 273.377 -1.176 20 0 CAADMP CN(CC[NH+](C)CCO)C(=O)[C@]1(C)C[C@@H](O)C[N@@H+]1C ZINC000912601011 656261823 /nfs/dbraw/zinc/26/18/23/656261823.db2.gz SJLXFTFQMOUDIP-YPMHNXCESA-N 2 1 273.377 -1.176 20 0 CAADMP CN(CC[NH+](C)CCO)C(=O)[C@]1(C)C[C@@H](O)C[N@H+]1C ZINC000912601011 656261825 /nfs/dbraw/zinc/26/18/25/656261825.db2.gz SJLXFTFQMOUDIP-YPMHNXCESA-N 2 1 273.377 -1.176 20 0 CAADMP CN(CC[N@@H+](C)CCO)C(=O)[C@]1(C)C[C@H](O)C[NH+]1C ZINC000912600997 656262860 /nfs/dbraw/zinc/26/28/60/656262860.db2.gz SJLXFTFQMOUDIP-AAEUAGOBSA-N 2 1 273.377 -1.176 20 0 CAADMP CN(CC[NH+](C)CCO)C(=O)[C@]1(C)C[C@H](O)C[N@@H+]1C ZINC000912600997 656262863 /nfs/dbraw/zinc/26/28/63/656262863.db2.gz SJLXFTFQMOUDIP-AAEUAGOBSA-N 2 1 273.377 -1.176 20 0 CAADMP CN(CC[NH+](C)CCO)C(=O)[C@]1(C)C[C@H](O)C[N@H+]1C ZINC000912600997 656262865 /nfs/dbraw/zinc/26/28/65/656262865.db2.gz SJLXFTFQMOUDIP-AAEUAGOBSA-N 2 1 273.377 -1.176 20 0 CAADMP C[NH+]1CCC[C@@](O)(CC(=O)N2CC[N@@H+](C)C[C@@H]2CO)C1 ZINC000912751741 656267923 /nfs/dbraw/zinc/26/79/23/656267923.db2.gz PYFNGSNZWQAIGG-TZMCWYRMSA-N 2 1 285.388 -1.032 20 0 CAADMP C[NH+]1CCC[C@@](O)(CC(=O)N2CC[N@H+](C)C[C@@H]2CO)C1 ZINC000912751741 656267928 /nfs/dbraw/zinc/26/79/28/656267928.db2.gz PYFNGSNZWQAIGG-TZMCWYRMSA-N 2 1 285.388 -1.032 20 0 CAADMP C[NH+]1CCN(C(=O)C[C@]2(O)CCC[N@H+](C)C2)[C@@H](CO)C1 ZINC000912751741 656267932 /nfs/dbraw/zinc/26/79/32/656267932.db2.gz PYFNGSNZWQAIGG-TZMCWYRMSA-N 2 1 285.388 -1.032 20 0 CAADMP C[NH+]1CCN(C(=O)C[C@]2(O)CCC[N@@H+](C)C2)[C@@H](CO)C1 ZINC000912751741 656267933 /nfs/dbraw/zinc/26/79/33/656267933.db2.gz PYFNGSNZWQAIGG-TZMCWYRMSA-N 2 1 285.388 -1.032 20 0 CAADMP C[N@@H+]1CCC[C@H]1C(=O)NC[C@@]1(CO)COCC[NH2+]1 ZINC000913178276 656272328 /nfs/dbraw/zinc/27/23/28/656272328.db2.gz DVAGVTASXYQOTE-CMPLNLGQSA-N 2 1 257.334 -1.452 20 0 CAADMP C[N@H+]1CCC[C@H]1C(=O)NC[C@@]1(CO)COCC[NH2+]1 ZINC000913178276 656272336 /nfs/dbraw/zinc/27/23/36/656272336.db2.gz DVAGVTASXYQOTE-CMPLNLGQSA-N 2 1 257.334 -1.452 20 0 CAADMP O=C(C[NH+]1CCCC1)NC[C@@]1(CO)COCC[NH2+]1 ZINC000913182060 656273615 /nfs/dbraw/zinc/27/36/15/656273615.db2.gz CQHFGBLQWCQTLC-GFCCVEGCSA-N 2 1 257.334 -1.451 20 0 CAADMP O=C(NC[C@]1(CO)COCC[NH2+]1)C1C[NH+]([C@H]2CCOC2)C1 ZINC000913178815 656273772 /nfs/dbraw/zinc/27/37/72/656273772.db2.gz KPKNTMSSGXZNNQ-JSGCOSHPSA-N 2 1 299.371 -1.826 20 0 CAADMP C[NH+](C)CC1(C(=O)NC[C@]2(CO)COCC[NH2+]2)CC1 ZINC000913180405 656274026 /nfs/dbraw/zinc/27/40/26/656274026.db2.gz YPIUHEBHGAYXBH-ZDUSSCGKSA-N 2 1 271.361 -1.205 20 0 CAADMP O=C(NC[C@@]1(CO)COCC[NH2+]1)C1C[NH+]([C@H]2CCOC2)C1 ZINC000913178814 656274331 /nfs/dbraw/zinc/27/43/31/656274331.db2.gz KPKNTMSSGXZNNQ-GXTWGEPZSA-N 2 1 299.371 -1.826 20 0 CAADMP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@]1(CO)COCC[NH2+]1 ZINC000913178279 656274607 /nfs/dbraw/zinc/27/46/07/656274607.db2.gz DVAGVTASXYQOTE-ZYHUDNBSSA-N 2 1 257.334 -1.452 20 0 CAADMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@@]1(CO)COCC[NH2+]1 ZINC000913178279 656274612 /nfs/dbraw/zinc/27/46/12/656274612.db2.gz DVAGVTASXYQOTE-ZYHUDNBSSA-N 2 1 257.334 -1.452 20 0 CAADMP C[N@@H+]1CC[C@H](CC(=O)NC[C@]2(CO)COCC[NH2+]2)C1 ZINC000913184850 656276293 /nfs/dbraw/zinc/27/62/93/656276293.db2.gz UOORVOCDAZGRBM-YPMHNXCESA-N 2 1 271.361 -1.205 20 0 CAADMP C[N@H+]1CC[C@H](CC(=O)NC[C@]2(CO)COCC[NH2+]2)C1 ZINC000913184850 656276296 /nfs/dbraw/zinc/27/62/96/656276296.db2.gz UOORVOCDAZGRBM-YPMHNXCESA-N 2 1 271.361 -1.205 20 0 CAADMP C[N@H+](CC(=O)NC[C@@]1(CO)COCC[NH2+]1)C1CCC1 ZINC000913185356 656276828 /nfs/dbraw/zinc/27/68/28/656276828.db2.gz ZIFUXEMBZCPLBX-CYBMUJFWSA-N 2 1 271.361 -1.062 20 0 CAADMP C[N@@H+](CC(=O)NC[C@@]1(CO)COCC[NH2+]1)C1CCC1 ZINC000913185356 656276831 /nfs/dbraw/zinc/27/68/31/656276831.db2.gz ZIFUXEMBZCPLBX-CYBMUJFWSA-N 2 1 271.361 -1.062 20 0 CAADMP CC[C@@H](C(=O)NC[C@]1(CO)COCC[NH2+]1)[NH+](C)C ZINC000913187482 656278013 /nfs/dbraw/zinc/27/80/13/656278013.db2.gz ZNAWMBYJTCZASA-JQWIXIFHSA-N 2 1 259.350 -1.206 20 0 CAADMP CC[NH+](CC)CC(=O)NC[C@]1(CO)COCC[NH2+]1 ZINC000913188463 656278117 /nfs/dbraw/zinc/27/81/17/656278117.db2.gz ITPNSSAQLJXIQO-LBPRGKRZSA-N 2 1 259.350 -1.205 20 0 CAADMP CC(C)[N@H+](C)CC(=O)NC[C@@]1(CO)COCC[NH2+]1 ZINC000913190574 656279152 /nfs/dbraw/zinc/27/91/52/656279152.db2.gz LXMJVKASPCJPKP-GFCCVEGCSA-N 2 1 259.350 -1.206 20 0 CAADMP CC(C)[N@@H+](C)CC(=O)NC[C@@]1(CO)COCC[NH2+]1 ZINC000913190574 656279154 /nfs/dbraw/zinc/27/91/54/656279154.db2.gz LXMJVKASPCJPKP-GFCCVEGCSA-N 2 1 259.350 -1.206 20 0 CAADMP COCC[N@@H+](C)C[C@@H](O)CN1CCO[C@@H](C[NH3+])C1 ZINC000311133897 656281141 /nfs/dbraw/zinc/28/11/41/656281141.db2.gz JZUJDWOVDMKVDH-NEPJUHHUSA-N 2 1 261.366 -1.415 20 0 CAADMP C[NH+]1CCC[C@@](O)(CC(=O)N2CC[N@@H+](C)[C@@H](CO)C2)C1 ZINC000913556353 656321461 /nfs/dbraw/zinc/32/14/61/656321461.db2.gz XZKPRPMGNMDRHH-TZMCWYRMSA-N 2 1 285.388 -1.032 20 0 CAADMP C[NH+]1CCN(C(=O)C[C@]2(O)CCC[N@@H+](C)C2)C[C@@H]1CO ZINC000913556353 656321450 /nfs/dbraw/zinc/32/14/50/656321450.db2.gz XZKPRPMGNMDRHH-TZMCWYRMSA-N 2 1 285.388 -1.032 20 0 CAADMP C[NH+]1CCN(C(=O)C[C@]2(O)CCC[N@H+](C)C2)C[C@@H]1CO ZINC000913556353 656321453 /nfs/dbraw/zinc/32/14/53/656321453.db2.gz XZKPRPMGNMDRHH-TZMCWYRMSA-N 2 1 285.388 -1.032 20 0 CAADMP C[NH+]1CCC[C@@](O)(CC(=O)N2CC[N@H+](C)[C@@H](CO)C2)C1 ZINC000913556353 656321458 /nfs/dbraw/zinc/32/14/58/656321458.db2.gz XZKPRPMGNMDRHH-TZMCWYRMSA-N 2 1 285.388 -1.032 20 0 CAADMP C[N@H+]1CCC[C@H]1C(=O)N1CCN(C[C@H](O)CO)CC1 ZINC000929848637 656353874 /nfs/dbraw/zinc/35/38/74/656353874.db2.gz OWVKBVIGGXRJDV-RYUDHWBXSA-N 2 1 271.361 -1.422 20 0 CAADMP C[C@@H](O)C[NH+]1CC(CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001031597398 656377103 /nfs/dbraw/zinc/37/71/03/656377103.db2.gz ZNQSGOXPARJTRQ-PWSUYJOCSA-N 2 1 271.361 -1.254 20 0 CAADMP C[C@@H](O)C[NH+]1CC(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001031597398 656377105 /nfs/dbraw/zinc/37/71/05/656377105.db2.gz ZNQSGOXPARJTRQ-PWSUYJOCSA-N 2 1 271.361 -1.254 20 0 CAADMP C[N@@H+]1CCO[C@H](C(=O)NCC2C[NH+](CCCO)C2)C1 ZINC001031594139 656377296 /nfs/dbraw/zinc/37/72/96/656377296.db2.gz UJDCONQZDOCCKG-LBPRGKRZSA-N 2 1 271.361 -1.253 20 0 CAADMP C[N@H+]1CCO[C@H](C(=O)NCC2C[NH+](CCCO)C2)C1 ZINC001031594139 656377298 /nfs/dbraw/zinc/37/72/98/656377298.db2.gz UJDCONQZDOCCKG-LBPRGKRZSA-N 2 1 271.361 -1.253 20 0 CAADMP C[C@@H](O)C[NH+]1CC(CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001031597399 656377340 /nfs/dbraw/zinc/37/73/40/656377340.db2.gz ZNQSGOXPARJTRQ-ZYHUDNBSSA-N 2 1 271.361 -1.254 20 0 CAADMP C[C@@H](O)C[NH+]1CC(CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001031597399 656377341 /nfs/dbraw/zinc/37/73/41/656377341.db2.gz ZNQSGOXPARJTRQ-ZYHUDNBSSA-N 2 1 271.361 -1.254 20 0 CAADMP O=C(NCC1C[NH+](CCO)C1)[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001031688276 656382859 /nfs/dbraw/zinc/38/28/59/656382859.db2.gz CDPMKRIXJZLFFR-STQMWFEESA-N 2 1 283.372 -1.110 20 0 CAADMP O=C(NCC1C[NH+](CCO)C1)[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001031688275 656383071 /nfs/dbraw/zinc/38/30/71/656383071.db2.gz CDPMKRIXJZLFFR-QWHCGFSZSA-N 2 1 283.372 -1.110 20 0 CAADMP O=C(NCC1C[NH+](CCO)C1)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001031688273 656383443 /nfs/dbraw/zinc/38/34/43/656383443.db2.gz CDPMKRIXJZLFFR-CHWSQXEVSA-N 2 1 283.372 -1.110 20 0 CAADMP O=C(NCC1C[NH+](CCO)C1)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001031688274 656383465 /nfs/dbraw/zinc/38/34/65/656383465.db2.gz CDPMKRIXJZLFFR-OLZOCXBDSA-N 2 1 283.372 -1.110 20 0 CAADMP C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1[NH2+]CC(N)=O ZINC000939320477 656393934 /nfs/dbraw/zinc/39/39/34/656393934.db2.gz UVYUJAPIMFQMMQ-VXGBXAGGSA-N 2 1 298.387 -1.370 20 0 CAADMP CC[N@@H+]1CCO[C@H](C(=O)NCC2C[NH+](CCO)C2)C1 ZINC001032196734 656470385 /nfs/dbraw/zinc/47/03/85/656470385.db2.gz AWEXRLKVEQPNIM-LBPRGKRZSA-N 2 1 271.361 -1.253 20 0 CAADMP CC[N@H+]1CCO[C@H](C(=O)NCC2C[NH+](CCO)C2)C1 ZINC001032196734 656470388 /nfs/dbraw/zinc/47/03/88/656470388.db2.gz AWEXRLKVEQPNIM-LBPRGKRZSA-N 2 1 271.361 -1.253 20 0 CAADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC([NH2+]CC(N)=O)CC2)O1 ZINC000996721646 656494702 /nfs/dbraw/zinc/49/47/02/656494702.db2.gz ZGDRQOVTROAGMP-ZYHUDNBSSA-N 2 1 298.387 -1.229 20 0 CAADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC([NH2+]CC(N)=O)CC2)O1 ZINC000996721646 656494705 /nfs/dbraw/zinc/49/47/05/656494705.db2.gz ZGDRQOVTROAGMP-ZYHUDNBSSA-N 2 1 298.387 -1.229 20 0 CAADMP NC(=O)C[NH2+]C1CCN(C(=O)CC[NH+]2CCOCC2)CC1 ZINC000997094925 656499174 /nfs/dbraw/zinc/49/91/74/656499174.db2.gz WMARPKRCOHNTID-UHFFFAOYSA-N 2 1 298.387 -1.225 20 0 CAADMP C[N@@H+]1CCO[C@@H](C(=O)N2CCC[C@H]([NH2+]CCO)C2)C1 ZINC000998830294 656563473 /nfs/dbraw/zinc/56/34/73/656563473.db2.gz XRGCAAFONHJTAR-NWDGAFQWSA-N 2 1 271.361 -1.110 20 0 CAADMP C[N@H+]1CCO[C@@H](C(=O)N2CCC[C@H]([NH2+]CCO)C2)C1 ZINC000998830294 656563482 /nfs/dbraw/zinc/56/34/82/656563482.db2.gz XRGCAAFONHJTAR-NWDGAFQWSA-N 2 1 271.361 -1.110 20 0 CAADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC[C@H]([NH2+]CC(N)=O)C2)O1 ZINC000999492325 656578141 /nfs/dbraw/zinc/57/81/41/656578141.db2.gz AEHLSNWLTOEVSR-GRYCIOLGSA-N 2 1 298.387 -1.229 20 0 CAADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC[C@H]([NH2+]CC(N)=O)C2)O1 ZINC000999492325 656578152 /nfs/dbraw/zinc/57/81/52/656578152.db2.gz AEHLSNWLTOEVSR-GRYCIOLGSA-N 2 1 298.387 -1.229 20 0 CAADMP CC[N@@H+]1CCO[C@@H](C(=O)N(C)C2CC([NH2+]CC(N)=O)C2)C1 ZINC000999862862 656585901 /nfs/dbraw/zinc/58/59/01/656585901.db2.gz PZOXCWBXUSELSL-HTAVTVPLSA-N 2 1 298.387 -1.229 20 0 CAADMP CC[N@H+]1CCO[C@@H](C(=O)N(C)C2CC([NH2+]CC(N)=O)C2)C1 ZINC000999862862 656585908 /nfs/dbraw/zinc/58/59/08/656585908.db2.gz PZOXCWBXUSELSL-HTAVTVPLSA-N 2 1 298.387 -1.229 20 0 CAADMP CC[N@@H+]1CCO[C@@H](C(=O)N2CCC[C@H]([NH2+]CC(N)=O)C2)C1 ZINC001000973834 656615086 /nfs/dbraw/zinc/61/50/86/656615086.db2.gz XDJFYLFBRTYWAQ-NWDGAFQWSA-N 2 1 298.387 -1.227 20 0 CAADMP CC[N@H+]1CCO[C@@H](C(=O)N2CCC[C@H]([NH2+]CC(N)=O)C2)C1 ZINC001000973834 656615087 /nfs/dbraw/zinc/61/50/87/656615087.db2.gz XDJFYLFBRTYWAQ-NWDGAFQWSA-N 2 1 298.387 -1.227 20 0 CAADMP CN1CCO[C@@H](C(=O)NCC2CCN(CC(N)=O)CC2)C1 ZINC001001278245 656620732 /nfs/dbraw/zinc/62/07/32/656620732.db2.gz JQBIFJLNBGOJCJ-GFCCVEGCSA-N 2 1 298.387 -1.370 20 0 CAADMP C[N@@H+]1CCO[C@H](C(=O)NC2CC[NH+](CCO)CC2)C1 ZINC001002535146 656630798 /nfs/dbraw/zinc/63/07/98/656630798.db2.gz QDIKESSPWBDOGS-LBPRGKRZSA-N 2 1 271.361 -1.110 20 0 CAADMP C[N@H+]1CCO[C@H](C(=O)NC2CC[NH+](CCO)CC2)C1 ZINC001002535146 656630800 /nfs/dbraw/zinc/63/08/00/656630800.db2.gz QDIKESSPWBDOGS-LBPRGKRZSA-N 2 1 271.361 -1.110 20 0 CAADMP C[N@H+]1C[C@@H]2CN(C(=O)C(=O)N3CC[NH2+]CC3)C[C@]2(C)C1 ZINC000702401056 656739242 /nfs/dbraw/zinc/73/92/42/656739242.db2.gz SCEBXVDVZOFJKP-RISCZKNCSA-N 2 1 280.372 -1.172 20 0 CAADMP CNC(=O)NC(=O)C[NH+]1CCC(O)(C[NH+](C)C)CC1 ZINC000710665222 656797416 /nfs/dbraw/zinc/79/74/16/656797416.db2.gz PGBFPHXWRATUPB-UHFFFAOYSA-N 2 1 272.349 -1.170 20 0 CAADMP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@H+]2CCC[C@H](N3CCNCC3=O)C2)C1 ZINC000923334340 656802567 /nfs/dbraw/zinc/80/25/67/656802567.db2.gz WNDNODNBLSXNKI-CYDGBPFRSA-N 2 1 282.388 -1.267 20 0 CAADMP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)C1 ZINC000923281894 656802860 /nfs/dbraw/zinc/80/28/60/656802860.db2.gz IUUOHJGTUFVVHK-XUXIUFHCSA-N 2 1 296.415 -1.019 20 0 CAADMP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@@H+]2CCC[C@H](C(=O)N3CCNCC3)C2)C1 ZINC000923281894 656802861 /nfs/dbraw/zinc/80/28/61/656802861.db2.gz IUUOHJGTUFVVHK-XUXIUFHCSA-N 2 1 296.415 -1.019 20 0 CAADMP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@H+]2CCC[C@H](C(=O)N3CCNCC3)C2)C1 ZINC000923281894 656802864 /nfs/dbraw/zinc/80/28/64/656802864.db2.gz IUUOHJGTUFVVHK-XUXIUFHCSA-N 2 1 296.415 -1.019 20 0 CAADMP OCC[N@@H+](CCN1CCOCC1)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923323263 656803206 /nfs/dbraw/zinc/80/32/06/656803206.db2.gz WMFSTNHSRVWTAP-CQSZACIVSA-N 2 1 299.415 -1.009 20 0 CAADMP CNS(=O)(=O)C[C@@H]1CCC[N@@H+]1[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923315400 656803223 /nfs/dbraw/zinc/80/32/23/656803223.db2.gz VIRPEYAINOKKIZ-NAKRPEOUSA-N 2 1 277.390 -1.149 20 0 CAADMP CNS(=O)(=O)C[C@@H]1CCC[N@H+]1[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923315400 656803225 /nfs/dbraw/zinc/80/32/25/656803225.db2.gz VIRPEYAINOKKIZ-NAKRPEOUSA-N 2 1 277.390 -1.149 20 0 CAADMP COC[C@@H](C(N)=O)[N@H+](C)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923421809 656804111 /nfs/dbraw/zinc/80/41/11/656804111.db2.gz DZLRRMSLMGJQOM-ZJUUUORDSA-N 2 1 257.334 -1.203 20 0 CAADMP COC[C@@H](C(N)=O)[N@@H+](C)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923421809 656804112 /nfs/dbraw/zinc/80/41/12/656804112.db2.gz DZLRRMSLMGJQOM-ZJUUUORDSA-N 2 1 257.334 -1.203 20 0 CAADMP COCC[N@@H+](C)C[C@@H](O)CN1CCO[C@@H]2C[NH2+]C[C@@H]21 ZINC000923381757 656804223 /nfs/dbraw/zinc/80/42/23/656804223.db2.gz WNHCYSXVSYHRCT-FRRDWIJNSA-N 2 1 273.377 -1.402 20 0 CAADMP C[C@@H]1CN(C(=O)CN2CC[NH2+]CC[NH2+]CC2)CCO1 ZINC000923464071 656804701 /nfs/dbraw/zinc/80/47/01/656804701.db2.gz KNPLOMDCOPFBRE-GFCCVEGCSA-N 2 1 270.377 -1.272 20 0 CAADMP C[C@H]1CN(C(=O)CN2CC[NH2+]CC[NH2+]CC2)CCO1 ZINC000923464072 656804901 /nfs/dbraw/zinc/80/49/01/656804901.db2.gz KNPLOMDCOPFBRE-LBPRGKRZSA-N 2 1 270.377 -1.272 20 0 CAADMP COCC[N@@H+](C)C[C@H](O)CN1CCC[C@@]([NH3+])(CO)C1 ZINC000923474165 656804947 /nfs/dbraw/zinc/80/49/47/656804947.db2.gz WQVYFTWMAOSWIQ-STQMWFEESA-N 2 1 275.393 -1.289 20 0 CAADMP COCC[N@@H+](C)C[C@@H](O)CN1CCC[C@]([NH3+])(CO)C1 ZINC000923474162 656805000 /nfs/dbraw/zinc/80/50/00/656805000.db2.gz WQVYFTWMAOSWIQ-CHWSQXEVSA-N 2 1 275.393 -1.289 20 0 CAADMP C[C@@H](C(=O)NC(=O)NC1CC1)N1CC[NH2+]CC[NH2+]CC1 ZINC000923465013 656805121 /nfs/dbraw/zinc/80/51/21/656805121.db2.gz UKZZBMPQPUPRRO-JTQLQIEISA-N 2 1 283.376 -1.142 20 0 CAADMP CCOCCNC(=O)CN1CC[NH2+]CC[NH2+]CC1 ZINC000923463017 656805151 /nfs/dbraw/zinc/80/51/51/656805151.db2.gz OJEGBUDNDSQPOB-UHFFFAOYSA-N 2 1 258.366 -1.366 20 0 CAADMP [NH3+]CCOCCN1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000923434202 656805217 /nfs/dbraw/zinc/80/52/17/656805217.db2.gz ROIBAADPPYEUDH-UHFFFAOYSA-N 2 1 292.405 -2.119 20 0 CAADMP O=S(=O)(C1CN(C[C@H]2CC[NH2+]C2)C1)N1CC[NH2+]CC1 ZINC000923433962 656805240 /nfs/dbraw/zinc/80/52/40/656805240.db2.gz ZHXMTRNEVUNBQT-NSHDSACASA-N 2 1 288.417 -1.485 20 0 CAADMP CCNC(=O)NC(=O)[C@@H](C)N1CC[NH2+]CC[NH2+]CC1 ZINC000923465623 656805367 /nfs/dbraw/zinc/80/53/67/656805367.db2.gz AXQQTUNGTRTQSN-SNVBAGLBSA-N 2 1 271.365 -1.285 20 0 CAADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CCN3[C@@H](CNS3(=O)=O)C2)C1 ZINC000923548889 656806084 /nfs/dbraw/zinc/80/60/84/656806084.db2.gz BLGJRRMGIOQIAY-AXFHLTTASA-N 2 1 274.390 -1.052 20 0 CAADMP [NH3+]CC[C@@H]1CC[N@@H+](CC(=O)N2CCNC(=O)C2)C1 ZINC000923487791 656806123 /nfs/dbraw/zinc/80/61/23/656806123.db2.gz NUPAXSUFMZCLGE-SNVBAGLBSA-N 2 1 254.334 -1.385 20 0 CAADMP O=S1(=O)NC[C@@H]2C[N@@H+](CC[C@@H]3CC[NH2+]C3)CCN21 ZINC000923549209 656806133 /nfs/dbraw/zinc/80/61/33/656806133.db2.gz GHBRPDRTOUKBQU-WDEREUQCSA-N 2 1 274.390 -1.180 20 0 CAADMP C[C@@H]1C[N@@H+](CC(=O)N2CCNC(=O)C2)CC[C@@H]1C[NH3+] ZINC000923500114 656806250 /nfs/dbraw/zinc/80/62/50/656806250.db2.gz ODBSVEIBVAPENY-GHMZBOCLSA-N 2 1 268.361 -1.139 20 0 CAADMP C[C@H]1CN(S(=O)(=O)N2CC[NH2+]CC2)C[C@H](C)[NH2+]1 ZINC000923569582 656807109 /nfs/dbraw/zinc/80/71/09/656807109.db2.gz PKMQZCGENGTCLO-UWVGGRQHSA-N 2 1 262.379 -1.181 20 0 CAADMP C[C@@H]1CN(S(=O)(=O)N2CC[NH2+]CC2)C[C@H](C)[NH2+]1 ZINC000923569580 656807143 /nfs/dbraw/zinc/80/71/43/656807143.db2.gz PKMQZCGENGTCLO-AOOOYVTPSA-N 2 1 262.379 -1.181 20 0 CAADMP C[C@H](CNS(=O)(=O)C1C[NH2+]C1)CN1CCN(C)CC1 ZINC000923620229 656810226 /nfs/dbraw/zinc/81/02/26/656810226.db2.gz SBDOSGGIWGEIKJ-LLVKDONJSA-N 2 1 290.433 -1.239 20 0 CAADMP O=S(=O)(C1C[NH2+]C1)N1CC[C@H]2OCC[NH2+][C@@H]2C1 ZINC000923642619 656811387 /nfs/dbraw/zinc/81/13/87/656811387.db2.gz FVRXAMIARWZXRF-NXEZZACHSA-N 2 1 261.347 -1.649 20 0 CAADMP O=S(=O)(N1CC[C@@H]2C[NH2+]C[C@@H]21)N1CC[NH2+]CC1 ZINC000923640601 656811819 /nfs/dbraw/zinc/81/18/19/656811819.db2.gz GJRWSEFBYBLZAG-ZJUUUORDSA-N 2 1 260.363 -1.570 20 0 CAADMP O=S(=O)(N[C@H]1C[NH2+]CCC1(F)F)N1CC[NH2+]CC1 ZINC000923647822 656812319 /nfs/dbraw/zinc/81/23/19/656812319.db2.gz XOIPASQXGUKVOV-QMMMGPOBSA-N 2 1 284.332 -1.277 20 0 CAADMP O=S(=O)(N1CC[NH2+]CC1)N1CCO[C@@H]2C[NH2+]C[C@@H]21 ZINC000923647345 656812436 /nfs/dbraw/zinc/81/24/36/656812436.db2.gz CIWCOQWTXKCXKC-VHSXEESVSA-N 2 1 276.362 -2.191 20 0 CAADMP O=S(=O)(N1CC[C@@]2(CCC[NH2+]2)C1)N1CC[NH2+]CC1 ZINC000923649784 656812490 /nfs/dbraw/zinc/81/24/90/656812490.db2.gz YMQQEFPQQQFZNF-NSHDSACASA-N 2 1 274.390 -1.036 20 0 CAADMP O=S(=O)(N1CC[NH2+]CC1)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000923644869 656812517 /nfs/dbraw/zinc/81/25/17/656812517.db2.gz MCKFQGIANKHSPG-QWRGUYRKSA-N 2 1 274.390 -1.180 20 0 CAADMP O=S(=O)(N1CC[NH2+]CC1)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000923644872 656812555 /nfs/dbraw/zinc/81/25/55/656812555.db2.gz MCKFQGIANKHSPG-WDEREUQCSA-N 2 1 274.390 -1.180 20 0 CAADMP O=S(=O)(NC[C@@H]1COCC[NH2+]1)[C@@H]1CCC[NH2+]C1 ZINC000923662672 656813018 /nfs/dbraw/zinc/81/30/18/656813018.db2.gz MUHJCHRUJFKIRD-NXEZZACHSA-N 2 1 263.363 -1.354 20 0 CAADMP O=S(=O)(NC[C@H]1COCC[NH2+]1)N1CC[NH2+]CC1 ZINC000923664259 656813436 /nfs/dbraw/zinc/81/34/36/656813436.db2.gz XJOVPSBMMJECND-VIFPVBQESA-N 2 1 264.351 -2.286 20 0 CAADMP O=S(=O)(NC[C@H]1COCC[NH2+]1)[C@H]1CCC[NH2+]C1 ZINC000923662673 656813539 /nfs/dbraw/zinc/81/35/39/656813539.db2.gz MUHJCHRUJFKIRD-UWVGGRQHSA-N 2 1 263.363 -1.354 20 0 CAADMP O=S(=O)(N1CC[NH2+]CC1)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000923690110 656815258 /nfs/dbraw/zinc/81/52/58/656815258.db2.gz XTEJIXZNUXOVTA-WDEREUQCSA-N 2 1 274.390 -1.180 20 0 CAADMP C(C[N@H+]1CC[C@@H](N[C@@H]2C[NH2+]CCOC2)C1)N1CCOCC1 ZINC000925498932 656815431 /nfs/dbraw/zinc/81/54/31/656815431.db2.gz TXUMMTXAGBQENU-HUUCEWRRSA-N 2 1 298.431 -1.029 20 0 CAADMP CO[C@H]1C[C@@H](C(=O)NC[C@H]2C[C@@H](O)C[NH+]2C)[N@@H+](C)C1 ZINC000924982854 656818089 /nfs/dbraw/zinc/81/80/89/656818089.db2.gz YRXCCENYIKYENV-WYUUTHIRSA-N 2 1 271.361 -1.113 20 0 CAADMP CO[C@H]1C[C@@H](C(=O)NC[C@H]2C[C@@H](O)C[NH+]2C)[N@H+](C)C1 ZINC000924982854 656818088 /nfs/dbraw/zinc/81/80/88/656818088.db2.gz YRXCCENYIKYENV-WYUUTHIRSA-N 2 1 271.361 -1.113 20 0 CAADMP CO[C@H]1C[C@@H](C(=O)NC[C@H]2C[C@@H](O)C[N@@H+]2C)[NH+](C)C1 ZINC000924982854 656818090 /nfs/dbraw/zinc/81/80/90/656818090.db2.gz YRXCCENYIKYENV-WYUUTHIRSA-N 2 1 271.361 -1.113 20 0 CAADMP CO[C@H]1C[C@@H](C(=O)NC[C@H]2C[C@@H](O)C[N@H+]2C)[NH+](C)C1 ZINC000924982854 656818092 /nfs/dbraw/zinc/81/80/92/656818092.db2.gz YRXCCENYIKYENV-WYUUTHIRSA-N 2 1 271.361 -1.113 20 0 CAADMP C[C@H](CNC(=O)C[N@@H+]1CC[C@H](O)C1)[NH+]1CC[C@H](O)C1 ZINC000929519676 656831492 /nfs/dbraw/zinc/83/14/92/656831492.db2.gz CYDNUYMLUYDLKX-WOPDTQHZSA-N 2 1 271.361 -1.376 20 0 CAADMP C[C@H](CNC(=O)C[N@H+]1CC[C@H](O)C1)[NH+]1CC[C@H](O)C1 ZINC000929519676 656831496 /nfs/dbraw/zinc/83/14/96/656831496.db2.gz CYDNUYMLUYDLKX-WOPDTQHZSA-N 2 1 271.361 -1.376 20 0 CAADMP C[C@H](CNC(=O)C[NH+]1CC[C@H](O)C1)[N@@H+]1CC[C@H](O)C1 ZINC000929519676 656831497 /nfs/dbraw/zinc/83/14/97/656831497.db2.gz CYDNUYMLUYDLKX-WOPDTQHZSA-N 2 1 271.361 -1.376 20 0 CAADMP C[C@H](CNC(=O)C[NH+]1CC[C@H](O)C1)[N@H+]1CC[C@H](O)C1 ZINC000929519676 656831500 /nfs/dbraw/zinc/83/15/00/656831500.db2.gz CYDNUYMLUYDLKX-WOPDTQHZSA-N 2 1 271.361 -1.376 20 0 CAADMP COCC[N@H+](C)CCNC(=O)C(=O)NC[C@H]1CC[NH+]1C ZINC000929894652 656833477 /nfs/dbraw/zinc/83/34/77/656833477.db2.gz LFLXTGKDRJNYBO-LLVKDONJSA-N 2 1 286.376 -1.499 20 0 CAADMP COCC[N@@H+](C)CCNC(=O)C(=O)NC[C@H]1CC[NH+]1C ZINC000929894652 656833480 /nfs/dbraw/zinc/83/34/80/656833480.db2.gz LFLXTGKDRJNYBO-LLVKDONJSA-N 2 1 286.376 -1.499 20 0 CAADMP COCC[NH+](C)CCNC(=O)C(=O)NC[C@H]1CC[N@@H+]1C ZINC000929894652 656833481 /nfs/dbraw/zinc/83/34/81/656833481.db2.gz LFLXTGKDRJNYBO-LLVKDONJSA-N 2 1 286.376 -1.499 20 0 CAADMP COCC[NH+](C)CCNC(=O)C(=O)NC[C@H]1CC[N@H+]1C ZINC000929894652 656833483 /nfs/dbraw/zinc/83/34/83/656833483.db2.gz LFLXTGKDRJNYBO-LLVKDONJSA-N 2 1 286.376 -1.499 20 0 CAADMP O=C(NC[C@@H]1C[N@@H+](CCCO)C[C@H]1O)C12CC[NH+](CC1)C2 ZINC000958595224 656975926 /nfs/dbraw/zinc/97/59/26/656975926.db2.gz PUNGIFYVPIQGHS-CHWSQXEVSA-N 2 1 297.399 -1.127 20 0 CAADMP NC(=O)C[N@H+]1C[C@@H](CNC(=O)C23CC[NH+](CC2)C3)[C@H](O)C1 ZINC000958590990 656976135 /nfs/dbraw/zinc/97/61/35/656976135.db2.gz DVHLXYXIIYNZRR-GHMZBOCLSA-N 2 1 296.371 -2.024 20 0 CAADMP NC(=O)C[N@@H+]1C[C@@H](CNC(=O)C23CC[NH+](CC2)C3)[C@H](O)C1 ZINC000958590990 656976146 /nfs/dbraw/zinc/97/61/46/656976146.db2.gz DVHLXYXIIYNZRR-GHMZBOCLSA-N 2 1 296.371 -2.024 20 0 CAADMP O=C(NC[C@H]1C[N@@H+](CCCO)C[C@H]1O)C12CC[NH+](CC1)C2 ZINC000958595226 656976329 /nfs/dbraw/zinc/97/63/29/656976329.db2.gz PUNGIFYVPIQGHS-QWHCGFSZSA-N 2 1 297.399 -1.127 20 0 CAADMP C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)[C@@H]([NH3+])CC(N)=O ZINC000251849282 656982149 /nfs/dbraw/zinc/98/21/49/656982149.db2.gz RGXAFLFTFANGJI-UTLUCORTSA-N 2 1 254.334 -1.116 20 0 CAADMP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)[C@@H]([NH3+])CC(N)=O ZINC000251849282 656982141 /nfs/dbraw/zinc/98/21/41/656982141.db2.gz RGXAFLFTFANGJI-UTLUCORTSA-N 2 1 254.334 -1.116 20 0 CAADMP NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC000959918080 656991458 /nfs/dbraw/zinc/99/14/58/656991458.db2.gz FAWLKQZEZOLILR-NMKXLXIOSA-N 2 1 292.383 -1.140 20 0 CAADMP NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC000959918080 656991472 /nfs/dbraw/zinc/99/14/72/656991472.db2.gz FAWLKQZEZOLILR-NMKXLXIOSA-N 2 1 292.383 -1.140 20 0 CAADMP C[C@H]1CC[N@H+](CC(=O)N[C@@H]2[C@H]3C[NH+](CC(N)=O)C[C@H]32)C1 ZINC000961785496 657012002 /nfs/dbraw/zinc/01/20/02/657012002.db2.gz FXMGAXVBNJYPMO-KZWBYHQPSA-N 2 1 280.372 -1.140 20 0 CAADMP C[C@H]1CC[N@@H+](CC(=O)N[C@@H]2[C@H]3C[NH+](CC(N)=O)C[C@H]32)C1 ZINC000961785496 657012015 /nfs/dbraw/zinc/01/20/15/657012015.db2.gz FXMGAXVBNJYPMO-KZWBYHQPSA-N 2 1 280.372 -1.140 20 0 CAADMP C[C@H]1CC[NH+](CC(=O)N[C@@H]2[C@H]3C[N@H+](CC(N)=O)C[C@H]32)C1 ZINC000961785496 657012023 /nfs/dbraw/zinc/01/20/23/657012023.db2.gz FXMGAXVBNJYPMO-KZWBYHQPSA-N 2 1 280.372 -1.140 20 0 CAADMP C[C@H]1CC[NH+](CC(=O)N[C@@H]2[C@H]3C[N@@H+](CC(N)=O)C[C@H]32)C1 ZINC000961785496 657012032 /nfs/dbraw/zinc/01/20/32/657012032.db2.gz FXMGAXVBNJYPMO-KZWBYHQPSA-N 2 1 280.372 -1.140 20 0 CAADMP NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C12CC[NH+](CC1)C2 ZINC000962296526 657018752 /nfs/dbraw/zinc/01/87/52/657018752.db2.gz IGWUWKCWPTUZLX-IAZYJMLFSA-N 2 1 278.356 -1.386 20 0 CAADMP NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C12CC[NH+](CC1)C2 ZINC000962296526 657018759 /nfs/dbraw/zinc/01/87/59/657018759.db2.gz IGWUWKCWPTUZLX-IAZYJMLFSA-N 2 1 278.356 -1.386 20 0 CAADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2CC[NH+](CCO)C2)O1 ZINC001014920672 657155415 /nfs/dbraw/zinc/15/54/15/657155415.db2.gz OMOJAQPPVSVRLZ-GRYCIOLGSA-N 2 1 271.361 -1.112 20 0 CAADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2CC[NH+](CCO)C2)O1 ZINC001014920672 657155431 /nfs/dbraw/zinc/15/54/31/657155431.db2.gz OMOJAQPPVSVRLZ-GRYCIOLGSA-N 2 1 271.361 -1.112 20 0 CAADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@H]2CC[N@H+](CCO)C2)O1 ZINC001014920672 657155442 /nfs/dbraw/zinc/15/54/42/657155442.db2.gz OMOJAQPPVSVRLZ-GRYCIOLGSA-N 2 1 271.361 -1.112 20 0 CAADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@H]2CC[N@@H+](CCO)C2)O1 ZINC001014920672 657155449 /nfs/dbraw/zinc/15/54/49/657155449.db2.gz OMOJAQPPVSVRLZ-GRYCIOLGSA-N 2 1 271.361 -1.112 20 0 CAADMP C[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CC(N)=O)C1 ZINC001018636591 657237297 /nfs/dbraw/zinc/23/72/97/657237297.db2.gz VYJMWHGLYXRPCE-UWVGGRQHSA-N 2 1 254.334 -1.244 20 0 CAADMP Cn1nnnc1C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001018628940 657237690 /nfs/dbraw/zinc/23/76/90/657237690.db2.gz UEHSEWWXEUUBKU-QWRGUYRKSA-N 2 1 293.375 -1.005 20 0 CAADMP Cn1nnnc1C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001018628940 657237712 /nfs/dbraw/zinc/23/77/12/657237712.db2.gz UEHSEWWXEUUBKU-QWRGUYRKSA-N 2 1 293.375 -1.005 20 0 CAADMP O=C(CC[NH+]1CCOCC1)N1CC[C@H]([NH2+]CCO)C1 ZINC001019512868 657271269 /nfs/dbraw/zinc/27/12/69/657271269.db2.gz GMIQIIUYHULAAM-LBPRGKRZSA-N 2 1 271.361 -1.109 20 0 CAADMP CC[N@@H+]1CCO[C@H](C(=O)N2CC[C@H]([NH2+]CCO)C2)C1 ZINC001019800210 657280587 /nfs/dbraw/zinc/28/05/87/657280587.db2.gz ASSNROOIEKZSPK-RYUDHWBXSA-N 2 1 271.361 -1.110 20 0 CAADMP CC[N@H+]1CCO[C@H](C(=O)N2CC[C@H]([NH2+]CCO)C2)C1 ZINC001019800210 657280602 /nfs/dbraw/zinc/28/06/02/657280602.db2.gz ASSNROOIEKZSPK-RYUDHWBXSA-N 2 1 271.361 -1.110 20 0 CAADMP CC[C@H]([NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1)C(N)=O ZINC001020045461 657283009 /nfs/dbraw/zinc/28/30/09/657283009.db2.gz BUTGAHIWCYNWOR-BJDJZHNGSA-N 2 1 298.387 -1.182 20 0 CAADMP CC[C@H]([NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1)C(N)=O ZINC001020045461 657283023 /nfs/dbraw/zinc/28/30/23/657283023.db2.gz BUTGAHIWCYNWOR-BJDJZHNGSA-N 2 1 298.387 -1.182 20 0 CAADMP C[C@@H](O)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001020046213 657285267 /nfs/dbraw/zinc/28/52/67/657285267.db2.gz XRUYOGOIKOCFMG-DDHJBXDOSA-N 2 1 271.361 -1.065 20 0 CAADMP C[C@@H](O)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001020046213 657285274 /nfs/dbraw/zinc/28/52/74/657285274.db2.gz XRUYOGOIKOCFMG-DDHJBXDOSA-N 2 1 271.361 -1.065 20 0 CAADMP C[N@@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H]([NH2+][C@H]3CCNC3=O)C2)C1 ZINC001020046097 657285537 /nfs/dbraw/zinc/28/55/37/657285537.db2.gz UAYMAKZNKZVQHB-FIQHERPVSA-N 2 1 296.371 -1.558 20 0 CAADMP C[N@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H]([NH2+][C@H]3CCNC3=O)C2)C1 ZINC001020046097 657285549 /nfs/dbraw/zinc/28/55/49/657285549.db2.gz UAYMAKZNKZVQHB-FIQHERPVSA-N 2 1 296.371 -1.558 20 0 CAADMP C[C@H](O)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001020046214 657285695 /nfs/dbraw/zinc/28/56/95/657285695.db2.gz XRUYOGOIKOCFMG-FIQHERPVSA-N 2 1 271.361 -1.065 20 0 CAADMP C[C@H](O)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001020046214 657285704 /nfs/dbraw/zinc/28/57/04/657285704.db2.gz XRUYOGOIKOCFMG-FIQHERPVSA-N 2 1 271.361 -1.065 20 0 CAADMP C[C@H](O)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001020046212 657286519 /nfs/dbraw/zinc/28/65/19/657286519.db2.gz XRUYOGOIKOCFMG-BJDJZHNGSA-N 2 1 271.361 -1.065 20 0 CAADMP C[C@H](O)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001020046212 657286529 /nfs/dbraw/zinc/28/65/29/657286529.db2.gz XRUYOGOIKOCFMG-BJDJZHNGSA-N 2 1 271.361 -1.065 20 0 CAADMP NC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC001020178929 657289872 /nfs/dbraw/zinc/28/98/72/657289872.db2.gz JBYKFMOWFBZSJJ-KKOKHZNYSA-N 2 1 296.371 -1.428 20 0 CAADMP NC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC001020178927 657290088 /nfs/dbraw/zinc/29/00/88/657290088.db2.gz JBYKFMOWFBZSJJ-DDHJBXDOSA-N 2 1 296.371 -1.428 20 0 CAADMP NC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC001020178928 657290386 /nfs/dbraw/zinc/29/03/86/657290386.db2.gz JBYKFMOWFBZSJJ-FIQHERPVSA-N 2 1 296.371 -1.428 20 0 CAADMP COCC[N@@H+](C)C[C@H](O)CN(C)CCN1CC[NH2+]CC1 ZINC000380728949 782231800 /nfs/dbraw/zinc/23/18/00/782231800.db2.gz RRNORNBEMZAUAM-CQSZACIVSA-N 2 1 288.436 -1.238 20 0 CAADMP COCCN(C)C[C@H](O)C[N@H+](C)CCN1CC[NH2+]CC1 ZINC000380728949 782231808 /nfs/dbraw/zinc/23/18/08/782231808.db2.gz RRNORNBEMZAUAM-CQSZACIVSA-N 2 1 288.436 -1.238 20 0 CAADMP COCCN(C)C[C@H](O)C[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000380728949 782231818 /nfs/dbraw/zinc/23/18/18/782231818.db2.gz RRNORNBEMZAUAM-CQSZACIVSA-N 2 1 288.436 -1.238 20 0 CAADMP CN(C(=O)[C@H]1C[NH+]2CCC1CC2)[C@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001047384299 782469336 /nfs/dbraw/zinc/46/93/36/782469336.db2.gz VQIBUSBCEFSUOD-IHRRRGAJSA-N 2 1 297.399 -1.176 20 0 CAADMP C[C@@H](O)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001047483688 782481285 /nfs/dbraw/zinc/48/12/85/782481285.db2.gz HHOZNLKIWKDSBW-NDBYEHHHSA-N 2 1 285.388 -1.035 20 0 CAADMP C[C@@H](O)C[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001047483688 782481293 /nfs/dbraw/zinc/48/12/93/782481293.db2.gz HHOZNLKIWKDSBW-NDBYEHHHSA-N 2 1 285.388 -1.035 20 0 CAADMP C[C@@H](O)C[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001047483688 782481301 /nfs/dbraw/zinc/48/13/01/782481301.db2.gz HHOZNLKIWKDSBW-NDBYEHHHSA-N 2 1 285.388 -1.035 20 0 CAADMP CN(C(=O)C12CC[NH+](CC1)C2)[C@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001047598336 782496247 /nfs/dbraw/zinc/49/62/47/782496247.db2.gz HEGDNLVAFBMHSN-RYUDHWBXSA-N 2 1 283.372 -1.422 20 0 CAADMP CN(C(=O)[C@@H]1CC[NH+](C)C1)[C@H]1C[N@@H+](CCCO)C[C@@H]1O ZINC001047628830 782499474 /nfs/dbraw/zinc/49/94/74/782499474.db2.gz LHVHMYRILZHTJO-AGIUHOORSA-N 2 1 285.388 -1.176 20 0 CAADMP C[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](CC(N)=O)C[C@@H]2C1 ZINC001048719928 782514354 /nfs/dbraw/zinc/51/43/54/782514354.db2.gz FOSNTTTVOIIPDX-TUAOUCFPSA-N 2 1 280.372 -1.044 20 0 CAADMP C[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](CC(N)=O)C[C@@H]2C1 ZINC001048719928 782514362 /nfs/dbraw/zinc/51/43/62/782514362.db2.gz FOSNTTTVOIIPDX-TUAOUCFPSA-N 2 1 280.372 -1.044 20 0 CAADMP C[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](CC(N)=O)C[C@@H]2C1 ZINC001048719928 782514367 /nfs/dbraw/zinc/51/43/67/782514367.db2.gz FOSNTTTVOIIPDX-TUAOUCFPSA-N 2 1 280.372 -1.044 20 0 CAADMP C[N@H+]1CC[C@@H](C(=O)N2C[C@@H]3C[NH+](CC(N)=O)C[C@@H]3C2)C1 ZINC001049213437 782531392 /nfs/dbraw/zinc/53/13/92/782531392.db2.gz QIDDIUKADHZGEM-UTUOFQBUSA-N 2 1 280.372 -1.186 20 0 CAADMP C[NH+]1CC[C@@H](C(=O)N2C[C@@H]3C[N@@H+](CC(N)=O)C[C@@H]3C2)C1 ZINC001049213437 782531401 /nfs/dbraw/zinc/53/14/01/782531401.db2.gz QIDDIUKADHZGEM-UTUOFQBUSA-N 2 1 280.372 -1.186 20 0 CAADMP C[NH+]1CC[C@@H](C(=O)N2C[C@@H]3C[N@H+](CC(N)=O)C[C@@H]3C2)C1 ZINC001049213437 782531409 /nfs/dbraw/zinc/53/14/09/782531409.db2.gz QIDDIUKADHZGEM-UTUOFQBUSA-N 2 1 280.372 -1.186 20 0 CAADMP NC(=O)C[N@@H+]1C[C@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@H]2C1 ZINC001049174185 782532415 /nfs/dbraw/zinc/53/24/15/782532415.db2.gz NDRLZKHXJYCQIB-TXEJJXNPSA-N 2 1 292.383 -1.042 20 0 CAADMP C[N@@H+]1CCC[C@H](N2CN[C@H]([NH3+])[C@H]3NCN[C@@H]32)CC1 ZINC001254513361 782549203 /nfs/dbraw/zinc/54/92/03/782549203.db2.gz XDKAHFBMZLJHQB-WHOHXGKFSA-N 2 1 254.382 -1.537 20 0 CAADMP C[N@H+]1CCC[C@H](N2CN[C@H]([NH3+])[C@H]3NCN[C@@H]32)CC1 ZINC001254513361 782549210 /nfs/dbraw/zinc/54/92/10/782549210.db2.gz XDKAHFBMZLJHQB-WHOHXGKFSA-N 2 1 254.382 -1.537 20 0 CAADMP O=C(NCC[N@H+]1CCCOCC1)N1CCNCC[NH2+]CC1 ZINC001120622653 779643373 /nfs/dbraw/zinc/64/33/73/779643373.db2.gz AOVSECYGCJSBBR-UHFFFAOYSA-N 2 1 299.419 -1.087 20 0 CAADMP [NH3+]CCNCC(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC001122535656 779672477 /nfs/dbraw/zinc/67/24/77/779672477.db2.gz DSXULQIVFDNFBB-NEPJUHHUSA-N 2 1 270.377 -1.408 20 0 CAADMP C[C@@H]1C[C@@H](NC(=O)C(=O)NC[C@H]2COCC[NH2+]2)CC[N@H+]1C ZINC001118864236 779591632 /nfs/dbraw/zinc/59/16/32/779591632.db2.gz ANKDGEVINIUICL-WOPDTQHZSA-N 2 1 298.387 -1.310 20 0 CAADMP CN1CC[NH+](C2CCN(S(=O)(=O)CC[NH3+])CC2)CC1 ZINC001239084001 780530253 /nfs/dbraw/zinc/53/02/53/780530253.db2.gz PUDCIFROKCOVLA-UHFFFAOYSA-N 2 1 290.433 -1.013 20 0 CAADMP COC(=O)[C@@H]([NH3+])[C@H]1CCCN(S(=O)(=O)CC[NH3+])C1 ZINC001239129887 780532970 /nfs/dbraw/zinc/53/29/70/780532970.db2.gz QERFGGFRDGMFME-IUCAKERBSA-N 2 1 279.362 -1.513 20 0 CAADMP O=S1(=O)CC[C@@H](N2CC[NH2+]C[C@]23CC[NH2+]C3)C1 ZINC001246622048 780558166 /nfs/dbraw/zinc/55/81/66/780558166.db2.gz GDLPQVXTWNBTAL-GHMZBOCLSA-N 2 1 259.375 -1.189 20 0 CAADMP CCOC(=O)[C@H]1C[NH2+]CCN1[C@@H]1C[NH2+][C@H](C(=O)OC)C1 ZINC001246601244 780558291 /nfs/dbraw/zinc/55/82/91/780558291.db2.gz IREBAESGBHUQQB-GARJFASQSA-N 2 1 285.344 -1.273 20 0 CAADMP O=C1C[N@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)CC2(CC[NH2+]CC2)N1 ZINC001246624830 780558406 /nfs/dbraw/zinc/55/84/06/780558406.db2.gz FVEOBIHLEAINMP-GFCCVEGCSA-N 3 1 293.415 -1.366 20 0 CAADMP COC(=O)[C@@H]1C[C@@H](N2CCOC3(C[NH2+]C3)C2)C[NH2+]1 ZINC001246619008 780558454 /nfs/dbraw/zinc/55/84/54/780558454.db2.gz GNBJIMIKTAUOEL-ZJUUUORDSA-N 2 1 255.318 -1.436 20 0 CAADMP COC(=O)[C@@H]1C[C@@H](N2CC[NH2+]C[C@]23CC[NH2+]C3)CCN1 ZINC001246623745 780558525 /nfs/dbraw/zinc/55/85/25/780558525.db2.gz KUNFMPMJGNOAIB-SGMGOOAPSA-N 2 1 282.388 -1.083 20 0 CAADMP COC(=O)[C@@H]1C[C@@H]([N@H+]2CCNC3(CC[NH2+]CC3)C2)CN1 ZINC001246599695 780558685 /nfs/dbraw/zinc/55/86/85/780558685.db2.gz DGWUGDNUQYFXLM-NEPJUHHUSA-N 2 1 282.388 -1.083 20 0 CAADMP COC(=O)[C@@H]1C[C@@H](N2CC3(C2)C[NH2+]CCO3)C[NH2+]1 ZINC001246617456 780558757 /nfs/dbraw/zinc/55/87/57/780558757.db2.gz CDWXUAKHNVXRHG-ZJUUUORDSA-N 2 1 255.318 -1.436 20 0 CAADMP COC(=O)[C@@H]1C[C@@H](N2CCOC[C@@]3(C[NH2+]CCO3)C2)C[NH2+]1 ZINC001246602090 780558775 /nfs/dbraw/zinc/55/87/75/780558775.db2.gz IYRLUCUHRVKWFS-MBNYWOFBSA-N 2 1 299.371 -1.419 20 0 CAADMP COC(=O)[C@@H]1C[C@H](N2CC[NH2+][C@H]3CC[NH2+]CC[C@@H]32)CN1 ZINC001246616831 780559047 /nfs/dbraw/zinc/55/90/47/780559047.db2.gz FMBSQTOXSWZEHX-CYDGBPFRSA-N 2 1 282.388 -1.084 20 0 CAADMP O=C1C[N@H+]([C@H]2CCNC3(C[NH2+]C3)C2)CC2(CC[NH2+]CC2)N1 ZINC001246624831 780559088 /nfs/dbraw/zinc/55/90/88/780559088.db2.gz FVEOBIHLEAINMP-LBPRGKRZSA-N 3 1 293.415 -1.366 20 0 CAADMP C1[NH2+]CC12C[C@@H](N1CC[NH2+]C[C@]13CC[NH2+]C3)CCN2 ZINC001246623750 780559231 /nfs/dbraw/zinc/55/92/31/780559231.db2.gz KZPBOXKADJIQPN-GXTWGEPZSA-N 3 1 265.405 -1.282 20 0 CAADMP C[N@@H+]1CCC[C@H]([NH2+]CC(=O)NCC(=O)NCC(N)=O)CC1 ZINC001254513304 780605282 /nfs/dbraw/zinc/60/52/82/780605282.db2.gz CPKQSPFQWREVIB-JTQLQIEISA-N 2 1 299.375 -2.222 20 0 CAADMP C[N@H+]1CCC[C@H]([NH2+]CC(=O)NCC(=O)NCC(N)=O)CC1 ZINC001254513304 780605283 /nfs/dbraw/zinc/60/52/83/780605283.db2.gz CPKQSPFQWREVIB-JTQLQIEISA-N 2 1 299.375 -2.222 20 0 CAADMP C[N@@H+]1CCC[C@@H]([NH2+]CC(=O)NCC(=O)NCC(N)=O)CC1 ZINC001254513305 780605434 /nfs/dbraw/zinc/60/54/34/780605434.db2.gz CPKQSPFQWREVIB-SNVBAGLBSA-N 2 1 299.375 -2.222 20 0 CAADMP C[N@H+]1CCC[C@@H]([NH2+]CC(=O)NCC(=O)NCC(N)=O)CC1 ZINC001254513305 780605436 /nfs/dbraw/zinc/60/54/36/780605436.db2.gz CPKQSPFQWREVIB-SNVBAGLBSA-N 2 1 299.375 -2.222 20 0 CAADMP COC(=O)[C@H](CCC[NH3+])NC(=O)[C@@H]1C[C@@H](N)C[NH2+]1 ZINC001221190518 780405576 /nfs/dbraw/zinc/40/55/76/780405576.db2.gz QLTXCNCGKSAPOQ-VGMNWLOBSA-N 2 1 258.322 -1.928 20 0 CAADMP COC(=O)[C@H](CCC[NH3+])NC(=O)[C@H]([NH3+])Cc1c[nH]cn1 ZINC001221188615 780405974 /nfs/dbraw/zinc/40/59/74/780405974.db2.gz ZFJZZQIRTINAKB-ZJUUUORDSA-N 2 1 283.332 -1.324 20 0 CAADMP [NH3+][C@@H]1NCN(C(=O)C23CCC([NH3+])(CC2)CC3)[C@H]2NCN[C@@H]21 ZINC001221264919 780409843 /nfs/dbraw/zinc/40/98/43/780409843.db2.gz CJLLOCNCCROISJ-RLECJGJGSA-N 2 1 294.403 -1.443 20 0 CAADMP [NH3+][C@H](C(=O)N1CN[C@@H]([NH3+])[C@@H]2NCN[C@H]21)C1CCCCC1 ZINC001221265187 780409903 /nfs/dbraw/zinc/40/99/03/780409903.db2.gz HUBLIQIGLKVWGA-YFKTTZPYSA-N 2 1 282.392 -1.587 20 0 CAADMP [NH3+][C@@H]1NCN(C(=O)C23CCC([NH3+])(CC2)CC3)[C@H]2NCN[C@H]21 ZINC001221264920 780410053 /nfs/dbraw/zinc/41/00/53/780410053.db2.gz CJLLOCNCCROISJ-VFYXCYBESA-N 2 1 294.403 -1.443 20 0 CAADMP [NH3+][C@@H]1NCN(C(=O)CN2CC[NH2+]CC2)[C@@H]2NCN[C@H]21 ZINC001221264964 780410105 /nfs/dbraw/zinc/41/01/05/780410105.db2.gz DGPHKQZZHVOXMU-AXFHLTTASA-N 2 1 269.353 -3.589 20 0 CAADMP [NH3+][C@@H]1NCN(C(=O)C=C2CC[NH2+]CC2)[C@@H]2NCN[C@@H]21 ZINC001221266534 780410169 /nfs/dbraw/zinc/41/01/69/780410169.db2.gz WWTIXXQOVDMVCQ-UTUOFQBUSA-N 2 1 266.349 -2.185 20 0 CAADMP C[C@@H]1[NH2+]CCC[C@@H]1C(=O)N1CN[C@H]([NH3+])[C@@H]2NCN[C@@H]21 ZINC001221264840 780410242 /nfs/dbraw/zinc/41/02/42/780410242.db2.gz BDINIJJZLNGFOO-AJBSGBCOSA-N 2 1 268.365 -2.106 20 0 CAADMP C[NH2+][C@@H](CC(C)C)C(=O)N1CN[C@H]([NH3+])[C@@H]2NCN[C@H]21 ZINC001221265064 780410337 /nfs/dbraw/zinc/41/03/37/780410337.db2.gz FYLIOXVZGXKFDM-NAKRPEOUSA-N 2 1 270.381 -1.860 20 0 CAADMP CCCCC[C@H]([NH2+]C)C(=O)N1CN[C@H]([NH3+])[C@H]2NCN[C@@H]21 ZINC001221265115 780410491 /nfs/dbraw/zinc/41/04/91/780410491.db2.gz GZONKGFGHFWWFY-WHOHXGKFSA-N 2 1 284.408 -1.326 20 0 CAADMP CCCCC[C@H]([NH2+]C)C(=O)N1CN[C@H]([NH3+])[C@@H]2NCN[C@@H]21 ZINC001221265113 780410527 /nfs/dbraw/zinc/41/05/27/780410527.db2.gz GZONKGFGHFWWFY-FIQHERPVSA-N 2 1 284.408 -1.326 20 0 CAADMP C[C@@H]1[NH2+]CCC[C@@H]1C(=O)N1CN[C@H]([NH3+])[C@@H]2NCN[C@H]21 ZINC001221264842 780410560 /nfs/dbraw/zinc/41/05/60/780410560.db2.gz BDINIJJZLNGFOO-QHZLYTNSSA-N 2 1 268.365 -2.106 20 0 CAADMP [NH3+][C@H](C(=O)N1CN[C@@H]([NH3+])[C@@H]2NCN[C@@H]21)C1CCCCC1 ZINC001221265185 780410571 /nfs/dbraw/zinc/41/05/71/780410571.db2.gz HUBLIQIGLKVWGA-NNYUYHANSA-N 2 1 282.392 -1.587 20 0 CAADMP C[C@@H]1[NH2+]CCC[C@@H]1C(=O)N1CN[C@H]([NH3+])[C@H]2NCN[C@@H]21 ZINC001221264843 780410601 /nfs/dbraw/zinc/41/06/01/780410601.db2.gz BDINIJJZLNGFOO-QUARPLMYSA-N 2 1 268.365 -2.106 20 0 CAADMP [NH3+][C@@H]1NCN(C(=O)C23CCC([NH3+])(CC2)CC3)[C@@H]2NCN[C@@H]21 ZINC001221264921 780410614 /nfs/dbraw/zinc/41/06/14/780410614.db2.gz CJLLOCNCCROISJ-XTERUONKSA-N 2 1 294.403 -1.443 20 0 CAADMP O=S(=O)(CC1CC[NH2+]CC1)NCC[N@H+]1CC[C@@H](O)C1 ZINC001238575270 780519199 /nfs/dbraw/zinc/51/91/99/780519199.db2.gz CBFZKMKKYAMFSL-GFCCVEGCSA-N 2 1 291.417 -1.028 20 0 CAADMP O=S(=O)(CC1CC[NH2+]CC1)NCC[N@@H+]1CC[C@@H](O)C1 ZINC001238575270 780519202 /nfs/dbraw/zinc/51/92/02/780519202.db2.gz CBFZKMKKYAMFSL-GFCCVEGCSA-N 2 1 291.417 -1.028 20 0 CAADMP [NH3+]C1(CNC(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)CC1 ZINC001262598316 780716991 /nfs/dbraw/zinc/71/69/91/780716991.db2.gz OQZAVMKFHBVQTR-VHSXEESVSA-N 2 1 254.334 -1.062 20 0 CAADMP CCN1CC[NH+](CCCNC(=O)C[C@H](O)C[NH3+])CC1 ZINC001263103048 780719843 /nfs/dbraw/zinc/71/98/43/780719843.db2.gz MJTLZIOPIJXMKG-LBPRGKRZSA-N 2 1 272.393 -1.160 20 0 CAADMP C[NH2+]C[C@H](O)[C@@H](C)C(=O)NCCC[NH+]1CCN(C)CC1 ZINC001263103366 780720310 /nfs/dbraw/zinc/72/03/10/780720310.db2.gz XFBVVOKCAFPNGK-OLZOCXBDSA-N 2 1 286.420 -1.044 20 0 CAADMP C[NH2+]C[C@H](O)[C@H](C)C(=O)NCCC[NH+]1CCN(C)CC1 ZINC001263103368 780720321 /nfs/dbraw/zinc/72/03/21/780720321.db2.gz XFBVVOKCAFPNGK-STQMWFEESA-N 2 1 286.420 -1.044 20 0 CAADMP CC[NH2+]CC(=O)N1CC[NH2+]CCN(C(=O)C[NH2+]CC)CC1 ZINC001263203165 780724151 /nfs/dbraw/zinc/72/41/51/780724151.db2.gz WAKCIJHCHSAAGA-UHFFFAOYSA-N 3 1 299.419 -1.534 20 0 CAADMP COC(=O)[C@@H]1C[N@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)CCO1 ZINC001246565124 781454555 /nfs/dbraw/zinc/45/45/55/781454555.db2.gz ACEWGEIMMGLFCK-MNOVXSKESA-N 2 1 269.345 -1.046 20 0 CAADMP C[C@@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)[NH2+]CC(N)=O ZINC001265761152 782658768 /nfs/dbraw/zinc/65/87/68/782658768.db2.gz OLUJAKAAQFYOKJ-IUCAKERBSA-N 2 1 258.322 -2.103 20 0 CAADMP C[C@@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)[NH2+]CC(N)=O ZINC001265761152 782658775 /nfs/dbraw/zinc/65/87/75/782658775.db2.gz OLUJAKAAQFYOKJ-IUCAKERBSA-N 2 1 258.322 -2.103 20 0 CAADMP C[N@@H+]1CCO[C@H](C(=O)N2CC3(C2)CC[NH+](CCO)C3)C1 ZINC001072580894 782778730 /nfs/dbraw/zinc/77/87/30/782778730.db2.gz NVOLQOMJCJGHLQ-LBPRGKRZSA-N 2 1 283.372 -1.156 20 0 CAADMP C[N@H+]1CCO[C@H](C(=O)N2CC3(C2)CC[NH+](CCO)C3)C1 ZINC001072580894 782778733 /nfs/dbraw/zinc/77/87/33/782778733.db2.gz NVOLQOMJCJGHLQ-LBPRGKRZSA-N 2 1 283.372 -1.156 20 0 CAADMP C[NH+]1CCO[C@H](C(=O)N2CC3(C2)CC[N@H+](CCO)C3)C1 ZINC001072580894 782778735 /nfs/dbraw/zinc/77/87/35/782778735.db2.gz NVOLQOMJCJGHLQ-LBPRGKRZSA-N 2 1 283.372 -1.156 20 0 CAADMP C[NH+]1CCO[C@H](C(=O)N2CC3(C2)CC[N@@H+](CCO)C3)C1 ZINC001072580894 782778739 /nfs/dbraw/zinc/77/87/39/782778739.db2.gz NVOLQOMJCJGHLQ-LBPRGKRZSA-N 2 1 283.372 -1.156 20 0 CAADMP C[N@@H+]1CCO[C@@H](C(=O)N2CC3(C2)CC[NH+](CCO)C3)C1 ZINC001072580893 782778878 /nfs/dbraw/zinc/77/88/78/782778878.db2.gz NVOLQOMJCJGHLQ-GFCCVEGCSA-N 2 1 283.372 -1.156 20 0 CAADMP C[N@H+]1CCO[C@@H](C(=O)N2CC3(C2)CC[NH+](CCO)C3)C1 ZINC001072580893 782778884 /nfs/dbraw/zinc/77/88/84/782778884.db2.gz NVOLQOMJCJGHLQ-GFCCVEGCSA-N 2 1 283.372 -1.156 20 0 CAADMP C[NH+]1CCO[C@@H](C(=O)N2CC3(C2)CC[N@H+](CCO)C3)C1 ZINC001072580893 782778888 /nfs/dbraw/zinc/77/88/88/782778888.db2.gz NVOLQOMJCJGHLQ-GFCCVEGCSA-N 2 1 283.372 -1.156 20 0 CAADMP C[NH+]1CCO[C@@H](C(=O)N2CC3(C2)CC[N@@H+](CCO)C3)C1 ZINC001072580893 782778895 /nfs/dbraw/zinc/77/88/95/782778895.db2.gz NVOLQOMJCJGHLQ-GFCCVEGCSA-N 2 1 283.372 -1.156 20 0 CAADMP C[N@@H+]1CC[C@@H](C(=O)N2CC3(C2)CC[NH+](CC(N)=O)C3)C1 ZINC001073425704 782790887 /nfs/dbraw/zinc/79/08/87/782790887.db2.gz FPZMXEFCJXJSCG-LLVKDONJSA-N 2 1 280.372 -1.042 20 0 CAADMP C[N@H+]1CC[C@@H](C(=O)N2CC3(C2)CC[NH+](CC(N)=O)C3)C1 ZINC001073425704 782790895 /nfs/dbraw/zinc/79/08/95/782790895.db2.gz FPZMXEFCJXJSCG-LLVKDONJSA-N 2 1 280.372 -1.042 20 0 CAADMP C[NH+]1CC[C@@H](C(=O)N2CC3(C2)CC[N@H+](CC(N)=O)C3)C1 ZINC001073425704 782790900 /nfs/dbraw/zinc/79/09/00/782790900.db2.gz FPZMXEFCJXJSCG-LLVKDONJSA-N 2 1 280.372 -1.042 20 0 CAADMP C[NH+]1CC[C@@H](C(=O)N2CC3(C2)CC[N@@H+](CC(N)=O)C3)C1 ZINC001073425704 782790909 /nfs/dbraw/zinc/79/09/09/782790909.db2.gz FPZMXEFCJXJSCG-LLVKDONJSA-N 2 1 280.372 -1.042 20 0 CAADMP C[C@H]1[C@@H]([NH2+]CC(N)=O)CCN1C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001074710884 782811878 /nfs/dbraw/zinc/81/18/78/782811878.db2.gz JKAMJZAIPFLKNA-NOOOWODRSA-N 2 1 298.387 -1.230 20 0 CAADMP C[C@H]1[C@@H]([NH2+]CC(N)=O)CCN1C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001074710884 782811882 /nfs/dbraw/zinc/81/18/82/782811882.db2.gz JKAMJZAIPFLKNA-NOOOWODRSA-N 2 1 298.387 -1.230 20 0 CAADMP CC[N@@H+]1CCO[C@@H](C(=O)N2CC[C@H]([NH2+]CC(N)=O)[C@@H]2C)C1 ZINC001075119029 782814897 /nfs/dbraw/zinc/81/48/97/782814897.db2.gz NXMCLECFAUKDBR-SDDRHHMPSA-N 2 1 298.387 -1.229 20 0 CAADMP CC[N@H+]1CCO[C@@H](C(=O)N2CC[C@H]([NH2+]CC(N)=O)[C@@H]2C)C1 ZINC001075119029 782814900 /nfs/dbraw/zinc/81/49/00/782814900.db2.gz NXMCLECFAUKDBR-SDDRHHMPSA-N 2 1 298.387 -1.229 20 0 CAADMP CC[N@@H+]1CCO[C@H](C(=O)N2CC[C@H]([NH2+]CC(N)=O)[C@@H]2C)C1 ZINC001075119031 782815006 /nfs/dbraw/zinc/81/50/06/782815006.db2.gz NXMCLECFAUKDBR-SRVKXCTJSA-N 2 1 298.387 -1.229 20 0 CAADMP CC[N@H+]1CCO[C@H](C(=O)N2CC[C@H]([NH2+]CC(N)=O)[C@@H]2C)C1 ZINC001075119031 782815023 /nfs/dbraw/zinc/81/50/23/782815023.db2.gz NXMCLECFAUKDBR-SRVKXCTJSA-N 2 1 298.387 -1.229 20 0 CAADMP C[NH+](C)CCC(=O)N[C@@H]1CC[N@@H+](CCO)C[C@H]1O ZINC001099988121 782847258 /nfs/dbraw/zinc/84/72/58/782847258.db2.gz CMMQLILGXWMAHX-GHMZBOCLSA-N 2 1 259.350 -1.518 20 0 CAADMP C[NH+](C)CCCC(=O)N[C@@H]1CC[N@@H+](CCO)C[C@@H]1O ZINC001099974185 782845190 /nfs/dbraw/zinc/84/51/90/782845190.db2.gz ODUGGNIZGCURPS-NEPJUHHUSA-N 2 1 273.377 -1.128 20 0 CAADMP C[NH+](C)CCC(=O)N[C@H]1CC[N@@H+](CCCO)C[C@H]1O ZINC001099988254 782846864 /nfs/dbraw/zinc/84/68/64/782846864.db2.gz FVWGTARKHQXXAQ-NWDGAFQWSA-N 2 1 273.377 -1.128 20 0 CAADMP CC[N@@H+](C)CCC(=O)N[C@H]1CC[NH+](CCO)C[C@@H]1O ZINC001100067430 782850201 /nfs/dbraw/zinc/85/02/01/782850201.db2.gz RMAWJWFVYVUYRH-RYUDHWBXSA-N 2 1 273.377 -1.128 20 0 CAADMP CC[NH+](C)CCC(=O)N[C@H]1CC[N@H+](CCO)C[C@@H]1O ZINC001100067430 782850205 /nfs/dbraw/zinc/85/02/05/782850205.db2.gz RMAWJWFVYVUYRH-RYUDHWBXSA-N 2 1 273.377 -1.128 20 0 CAADMP CC[NH+](C)CCC(=O)N[C@H]1CC[N@@H+](CCO)C[C@@H]1O ZINC001100067430 782850210 /nfs/dbraw/zinc/85/02/10/782850210.db2.gz RMAWJWFVYVUYRH-RYUDHWBXSA-N 2 1 273.377 -1.128 20 0 CAADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CC[NH+](CCO)C[C@@H]1O ZINC001100067428 782851466 /nfs/dbraw/zinc/85/14/66/782851466.db2.gz RMAWJWFVYVUYRH-NEPJUHHUSA-N 2 1 273.377 -1.128 20 0 CAADMP CC[NH+](C)CCC(=O)N[C@@H]1CC[N@H+](CCO)C[C@@H]1O ZINC001100067428 782851472 /nfs/dbraw/zinc/85/14/72/782851472.db2.gz RMAWJWFVYVUYRH-NEPJUHHUSA-N 2 1 273.377 -1.128 20 0 CAADMP CC[NH+](C)CCC(=O)N[C@@H]1CC[N@@H+](CCO)C[C@@H]1O ZINC001100067428 782851476 /nfs/dbraw/zinc/85/14/76/782851476.db2.gz RMAWJWFVYVUYRH-NEPJUHHUSA-N 2 1 273.377 -1.128 20 0 CAADMP CCC[N@@H+](C)CC(=O)N[C@H]1CC[NH+](CCO)C[C@H]1O ZINC001100080125 782851888 /nfs/dbraw/zinc/85/18/88/782851888.db2.gz DURPOJVYQATREV-NWDGAFQWSA-N 2 1 273.377 -1.128 20 0 CAADMP CCC[NH+](C)CC(=O)N[C@H]1CC[N@H+](CCO)C[C@H]1O ZINC001100080125 782851892 /nfs/dbraw/zinc/85/18/92/782851892.db2.gz DURPOJVYQATREV-NWDGAFQWSA-N 2 1 273.377 -1.128 20 0 CAADMP CCC[NH+](C)CC(=O)N[C@H]1CC[N@@H+](CCO)C[C@H]1O ZINC001100080125 782851899 /nfs/dbraw/zinc/85/18/99/782851899.db2.gz DURPOJVYQATREV-NWDGAFQWSA-N 2 1 273.377 -1.128 20 0 CAADMP CNC(=O)C[NH2+]C1CC(CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001100212087 782854328 /nfs/dbraw/zinc/85/43/28/782854328.db2.gz NOVLVXHCWCHURX-HTAVTVPLSA-N 2 1 298.387 -1.453 20 0 CAADMP CNC(=O)C[NH2+]C1CC(CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001100212087 782854337 /nfs/dbraw/zinc/85/43/37/782854337.db2.gz NOVLVXHCWCHURX-HTAVTVPLSA-N 2 1 298.387 -1.453 20 0 CAADMP CNC(=O)C[NH2+]C1CC(CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001100212088 782855021 /nfs/dbraw/zinc/85/50/21/782855021.db2.gz NOVLVXHCWCHURX-MCIGGMRASA-N 2 1 298.387 -1.453 20 0 CAADMP CNC(=O)C[NH2+]C1CC(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001100212088 782855030 /nfs/dbraw/zinc/85/50/30/782855030.db2.gz NOVLVXHCWCHURX-MCIGGMRASA-N 2 1 298.387 -1.453 20 0 CAADMP CC[N@H+](C)CCC(=O)N[C@@H]1[C@H]2C[NH+](CC(N)=O)C[C@H]21 ZINC001115074481 782878749 /nfs/dbraw/zinc/87/87/49/782878749.db2.gz MSRBEQAFGPFEEI-IWIIMEHWSA-N 2 1 268.361 -1.140 20 0 CAADMP CC[N@@H+](C)CCC(=O)N[C@@H]1[C@H]2C[NH+](CC(N)=O)C[C@H]21 ZINC001115074481 782878757 /nfs/dbraw/zinc/87/87/57/782878757.db2.gz MSRBEQAFGPFEEI-IWIIMEHWSA-N 2 1 268.361 -1.140 20 0 CAADMP CC[NH+](C)CCC(=O)N[C@@H]1[C@H]2C[N@H+](CC(N)=O)C[C@H]21 ZINC001115074481 782878766 /nfs/dbraw/zinc/87/87/66/782878766.db2.gz MSRBEQAFGPFEEI-IWIIMEHWSA-N 2 1 268.361 -1.140 20 0 CAADMP CC[NH+](C)CCC(=O)N[C@@H]1[C@H]2C[N@@H+](CC(N)=O)C[C@H]21 ZINC001115074481 782878776 /nfs/dbraw/zinc/87/87/76/782878776.db2.gz MSRBEQAFGPFEEI-IWIIMEHWSA-N 2 1 268.361 -1.140 20 0 CAADMP C[C@@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)COCC[NH+](C)C ZINC001115125642 782879517 /nfs/dbraw/zinc/87/95/17/782879517.db2.gz ACEDCXPOGPJFDE-NMKXLXIOSA-N 2 1 285.388 -1.008 20 0 CAADMP C[NH+](C)CCOCC(=O)N[C@@H]1[C@H]2C[N@@H+](CCO)C[C@H]21 ZINC001115126179 782879720 /nfs/dbraw/zinc/87/97/20/782879720.db2.gz JNIHJMBTPMSMKY-PJXYFTJBSA-N 2 1 271.361 -1.397 20 0 CAADMP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1[C@H]2C[N@@H+](CCO)C[C@H]21 ZINC001115245314 782880698 /nfs/dbraw/zinc/88/06/98/782880698.db2.gz PERRDPGEPFEYMM-MQYQWHSLSA-N 2 1 297.399 -1.007 20 0 CAADMP [NH3+][C@H]1CN(c2cc[nH+]c(N3CCOCC3)n2)C[C@H]1O ZINC001167093340 775118144 /nfs/dbraw/zinc/11/81/44/775118144.db2.gz UFYPVQFRVOUWCV-VHSXEESVSA-N 2 1 265.317 -1.179 20 0 CAADMP [NH3+]C[C@H](O)CC(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000705604220 775122816 /nfs/dbraw/zinc/12/28/16/775122816.db2.gz XQCPVQPLZAIVLG-HBNTYKKESA-N 2 1 257.334 -1.325 20 0 CAADMP NC(=O)NC(=O)C[NH2+]CCCNC(=O)Cc1cnc[nH]1 ZINC001167350535 775146953 /nfs/dbraw/zinc/14/69/53/775146953.db2.gz ZBSRZPYVYSRYAH-UHFFFAOYSA-N 2 1 282.304 -1.757 20 0 CAADMP CNC(=O)C[NH2+]CCN(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001266803870 775173198 /nfs/dbraw/zinc/17/31/98/775173198.db2.gz UXFTXRNBWWTCLU-SNVBAGLBSA-N 2 1 256.350 -1.125 20 0 CAADMP COC(=O)[C@@]1(C)COCCN1C(=O)[C@@H]([NH3+])CC[NH3+] ZINC001161371834 775179919 /nfs/dbraw/zinc/17/99/19/775179919.db2.gz GOFILDOXQMYQKP-GZMMTYOYSA-N 2 1 259.306 -1.547 20 0 CAADMP COC(=O)[C@]1(C)COCCN1C(=O)[C@@H]([NH3+])CC[NH3+] ZINC001161371835 775180156 /nfs/dbraw/zinc/18/01/56/775180156.db2.gz GOFILDOXQMYQKP-KWQFWETISA-N 2 1 259.306 -1.547 20 0 CAADMP C[C@@H](CNC(=O)CC[NH+]1CCOCC1)[NH2+]CCO ZINC001266978439 775191269 /nfs/dbraw/zinc/19/12/69/775191269.db2.gz NMWIIULIKJYREY-NSHDSACASA-N 2 1 259.350 -1.205 20 0 CAADMP COC(=O)[C@@H](N)CC(=O)N1CC[C@@H]([NH+]2CCC([NH3+])CC2)C1 ZINC001161377910 775195608 /nfs/dbraw/zinc/19/56/08/775195608.db2.gz JIQZIYCBKZXHBA-NEPJUHHUSA-N 2 1 298.387 -1.099 20 0 CAADMP COC[C@H](O)C[NH2+]CCN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001267072263 775200355 /nfs/dbraw/zinc/20/03/55/775200355.db2.gz XBLLEWZEYXAEFL-NWDGAFQWSA-N 2 1 273.377 -1.007 20 0 CAADMP COC[C@H](O)C[NH2+]CCN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001267072264 775200423 /nfs/dbraw/zinc/20/04/23/775200423.db2.gz XBLLEWZEYXAEFL-VXGBXAGGSA-N 2 1 273.377 -1.007 20 0 CAADMP [NH3+]CC[C@H]([NH3+])C(=O)N1CCO[C@H](C[NH+]2CCCC2)C1 ZINC001161389210 775201716 /nfs/dbraw/zinc/20/17/16/775201716.db2.gz PGCOGFSDIUNPFF-NEPJUHHUSA-N 3 1 270.377 -1.014 20 0 CAADMP O=C(N1CCO[C@@H]2C[N@@H+](CCO)C[C@@H]21)C12CC[NH+](CC1)C2 ZINC001083249428 775207624 /nfs/dbraw/zinc/20/76/24/775207624.db2.gz DXRQZKGZBOGWGV-QWHCGFSZSA-N 2 1 295.383 -1.014 20 0 CAADMP O=C(N1CCO[C@@H]2C[N@H+](CCO)C[C@@H]21)C12CC[NH+](CC1)C2 ZINC001083249428 775207632 /nfs/dbraw/zinc/20/76/32/775207632.db2.gz DXRQZKGZBOGWGV-QWHCGFSZSA-N 2 1 295.383 -1.014 20 0 CAADMP CN(CCNCc1nc(=O)n(C)[nH]1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001267469988 775249686 /nfs/dbraw/zinc/24/96/86/775249686.db2.gz RTHRVBBIILTZQQ-SNVBAGLBSA-N 2 1 296.375 -1.392 20 0 CAADMP C[N@H+]1CC[C@@H](C(=O)N2CCO[C@@H]3CN(CCO)C[C@@H]32)C1 ZINC001083275004 775255172 /nfs/dbraw/zinc/25/51/72/775255172.db2.gz KWUHYWORKKHGSP-FRRDWIJNSA-N 2 1 283.372 -1.158 20 0 CAADMP C[N@@H+]1CC[C@@H](C(=O)N2CCO[C@@H]3C[NH+](CCO)C[C@@H]32)C1 ZINC001083275004 775255177 /nfs/dbraw/zinc/25/51/77/775255177.db2.gz KWUHYWORKKHGSP-FRRDWIJNSA-N 2 1 283.372 -1.158 20 0 CAADMP C[N@H+]1CC[C@@H](C(=O)N2CCO[C@@H]3C[NH+](CCO)C[C@@H]32)C1 ZINC001083275004 775255184 /nfs/dbraw/zinc/25/51/84/775255184.db2.gz KWUHYWORKKHGSP-FRRDWIJNSA-N 2 1 283.372 -1.158 20 0 CAADMP C[NH+]1CC[C@@H](C(=O)N2CCO[C@@H]3C[N@H+](CCO)C[C@@H]32)C1 ZINC001083275004 775255192 /nfs/dbraw/zinc/25/51/92/775255192.db2.gz KWUHYWORKKHGSP-FRRDWIJNSA-N 2 1 283.372 -1.158 20 0 CAADMP C[NH+]1CC[C@@H](C(=O)N2CCO[C@@H]3C[N@@H+](CCO)C[C@@H]32)C1 ZINC001083275004 775255198 /nfs/dbraw/zinc/25/51/98/775255198.db2.gz KWUHYWORKKHGSP-FRRDWIJNSA-N 2 1 283.372 -1.158 20 0 CAADMP COc1ccnc(C(=N)NC(=O)[C@@H]([NH3+])CC[NH3+])n1 ZINC001220183169 775295056 /nfs/dbraw/zinc/29/50/56/775295056.db2.gz GVPBDOQDSCOIRY-LURJTMIESA-N 2 1 252.278 -1.397 20 0 CAADMP C[N@@H+](C1CN(C(=O)[C@@H]2C[NH2+]CCN2)C1)[C@H]1CCOC1 ZINC001161499048 775317990 /nfs/dbraw/zinc/31/79/90/775317990.db2.gz NCALMQWDNCSPGE-JQWIXIFHSA-N 2 1 268.361 -1.521 20 0 CAADMP C[NH+](C)CCC(=O)N1CC(n2cc(C[NH2+]CCO)nn2)C1 ZINC001105320806 775319562 /nfs/dbraw/zinc/31/95/62/775319562.db2.gz KIPYSKJWVOIVHO-UHFFFAOYSA-N 2 1 296.375 -1.305 20 0 CAADMP C[NH+]1CCN(c2nccnc2-n2nnc(CC[NH3+])n2)CC1 ZINC001167790100 775362792 /nfs/dbraw/zinc/36/27/92/775362792.db2.gz CSWWCFNTAUAUOJ-UHFFFAOYSA-N 2 1 289.347 -1.295 20 0 CAADMP COCC[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001268294744 775392455 /nfs/dbraw/zinc/39/24/55/775392455.db2.gz AMRUCRRRKHYXSY-MNOVXSKESA-N 2 1 259.350 -1.206 20 0 CAADMP COCC[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001268294746 775393575 /nfs/dbraw/zinc/39/35/75/775393575.db2.gz AMRUCRRRKHYXSY-QWRGUYRKSA-N 2 1 259.350 -1.206 20 0 CAADMP C[N@@H+]1CCO[C@H](C(=O)NC[C@@H](O)C[NH2+]CCCO)C1 ZINC001268301027 775394090 /nfs/dbraw/zinc/39/40/90/775394090.db2.gz VSZFWJXDYUFKKW-QWRGUYRKSA-N 2 1 275.349 -2.234 20 0 CAADMP C[N@H+]1CCO[C@H](C(=O)NC[C@@H](O)C[NH2+]CCCO)C1 ZINC001268301027 775394097 /nfs/dbraw/zinc/39/40/97/775394097.db2.gz VSZFWJXDYUFKKW-QWRGUYRKSA-N 2 1 275.349 -2.234 20 0 CAADMP C[N@@H+]1CCO[C@H](C(=O)NC[C@H](O)C[NH2+]CCCO)C1 ZINC001268301026 775394695 /nfs/dbraw/zinc/39/46/95/775394695.db2.gz VSZFWJXDYUFKKW-MNOVXSKESA-N 2 1 275.349 -2.234 20 0 CAADMP C[N@H+]1CCO[C@H](C(=O)NC[C@H](O)C[NH2+]CCCO)C1 ZINC001268301026 775394706 /nfs/dbraw/zinc/39/47/06/775394706.db2.gz VSZFWJXDYUFKKW-MNOVXSKESA-N 2 1 275.349 -2.234 20 0 CAADMP C[N@@H+]1CCO[C@@H](C(=O)NC[C@@H](O)C[NH2+]CCCO)C1 ZINC001268301028 775395177 /nfs/dbraw/zinc/39/51/77/775395177.db2.gz VSZFWJXDYUFKKW-WDEREUQCSA-N 2 1 275.349 -2.234 20 0 CAADMP C[N@H+]1CCO[C@@H](C(=O)NC[C@@H](O)C[NH2+]CCCO)C1 ZINC001268301028 775395185 /nfs/dbraw/zinc/39/51/85/775395185.db2.gz VSZFWJXDYUFKKW-WDEREUQCSA-N 2 1 275.349 -2.234 20 0 CAADMP C[N@H+]1CC[C@H](C(=O)NC[C@H](O)C[NH2+]CCCO)C1 ZINC001268335763 775408384 /nfs/dbraw/zinc/40/83/84/775408384.db2.gz OZVGFLALASIDEY-WDEREUQCSA-N 2 1 259.350 -1.613 20 0 CAADMP CCN(CC[NH2+]CC(=O)NC(N)=O)C(=O)[C@H]1CCC[N@H+]1C ZINC001268471827 775420488 /nfs/dbraw/zinc/42/04/88/775420488.db2.gz SMVHGQNBLNQXJW-SNVBAGLBSA-N 2 1 299.375 -1.286 20 0 CAADMP CCN(CC[NH2+]CC(N)=O)C(=O)CC[NH+]1CCOCC1 ZINC001268488809 775422595 /nfs/dbraw/zinc/42/25/95/775422595.db2.gz FNAVGDSQFPXRLX-UHFFFAOYSA-N 2 1 286.376 -1.368 20 0 CAADMP CCN(CC[NH2+]CC(N)=O)C(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001268500996 775424744 /nfs/dbraw/zinc/42/47/44/775424744.db2.gz UDLSWIPQDAYJIM-NSHDSACASA-N 2 1 286.376 -1.370 20 0 CAADMP CNC(=O)C[NH2+]C/C=C\CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001268522385 775427546 /nfs/dbraw/zinc/42/75/46/775427546.db2.gz RMRPYRVZJYVKJV-BYCRGOAPSA-N 2 1 284.360 -1.675 20 0 CAADMP CNC(=O)C[NH2+]C/C=C\CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001268522385 775427550 /nfs/dbraw/zinc/42/75/50/775427550.db2.gz RMRPYRVZJYVKJV-BYCRGOAPSA-N 2 1 284.360 -1.675 20 0 CAADMP CNC(=O)C[NH2+]C/C=C/CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001268522396 775428520 /nfs/dbraw/zinc/42/85/20/775428520.db2.gz RMRPYRVZJYVKJV-PGLGOXFNSA-N 2 1 284.360 -1.675 20 0 CAADMP CNC(=O)C[NH2+]C/C=C/CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001268522396 775428528 /nfs/dbraw/zinc/42/85/28/775428528.db2.gz RMRPYRVZJYVKJV-PGLGOXFNSA-N 2 1 284.360 -1.675 20 0 CAADMP CNC(=O)C[NH2+]C[C@H](C)NC(=O)[C@H]1CCC[N@H+]1C ZINC001268699516 775468891 /nfs/dbraw/zinc/46/88/91/775468891.db2.gz JFAPPPJGGBBFPM-VHSXEESVSA-N 2 1 256.350 -1.079 20 0 CAADMP CN(CCC[NH2+][C@@H]1CCNC1=O)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001268786084 775474346 /nfs/dbraw/zinc/47/43/46/775474346.db2.gz KZQFMBNBBHDWMS-VXGBXAGGSA-N 2 1 298.387 -1.356 20 0 CAADMP CN(CCC[NH2+][C@@H]1CCNC1=O)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001268786084 775474347 /nfs/dbraw/zinc/47/43/47/775474347.db2.gz KZQFMBNBBHDWMS-VXGBXAGGSA-N 2 1 298.387 -1.356 20 0 CAADMP CN(CCC[NH2+]CC(N)=O)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001268947032 775481478 /nfs/dbraw/zinc/48/14/78/775481478.db2.gz YSRQIKZEDLEMNG-SNVBAGLBSA-N 2 1 256.350 -1.139 20 0 CAADMP CN(CC(=O)N1[C@H]2COC[C@@H]1C[N@H+](C)C2)C(N)=[NH2+] ZINC001268997171 775482724 /nfs/dbraw/zinc/48/27/24/775482724.db2.gz WGDBPLQAJRLDIZ-DTORHVGOSA-N 2 1 255.322 -1.647 20 0 CAADMP CN(CC(=O)N1[C@H]2COC[C@@H]1C[N@@H+](C)C2)C(N)=[NH2+] ZINC001268997171 775482725 /nfs/dbraw/zinc/48/27/25/775482725.db2.gz WGDBPLQAJRLDIZ-DTORHVGOSA-N 2 1 255.322 -1.647 20 0 CAADMP CN(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)CN(C)C(N)=[NH2+])[C@@H]2C1 ZINC001268997294 775482734 /nfs/dbraw/zinc/48/27/34/775482734.db2.gz YSUQQQASICYBJL-NWDGAFQWSA-N 2 1 296.419 -1.094 20 0 CAADMP CN(C)CC[N@H+]1C[C@@H]2CCN(C(=O)CN(C)C(N)=[NH2+])[C@@H]2C1 ZINC001268997294 775482736 /nfs/dbraw/zinc/48/27/36/775482736.db2.gz YSUQQQASICYBJL-NWDGAFQWSA-N 2 1 296.419 -1.094 20 0 CAADMP CN(C[C@@H](O)C[NH2+]CCO)C(=O)C[N@@H+](C)C1CCC1 ZINC001284414956 775492511 /nfs/dbraw/zinc/49/25/11/775492511.db2.gz AADZQWGJXXAYEB-LBPRGKRZSA-N 2 1 273.377 -1.128 20 0 CAADMP C[C@@H](C[NH2+]CCO)N(C)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001270930218 775560119 /nfs/dbraw/zinc/56/01/19/775560119.db2.gz QBLMMUSMBQOPNX-WDEREUQCSA-N 2 1 259.350 -1.254 20 0 CAADMP C[C@@H](C[NH2+]CCO)N(C)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001270930218 775560128 /nfs/dbraw/zinc/56/01/28/775560128.db2.gz QBLMMUSMBQOPNX-WDEREUQCSA-N 2 1 259.350 -1.254 20 0 CAADMP C[C@H](C[NH2+]CCO)N(C)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001270930215 775560727 /nfs/dbraw/zinc/56/07/27/775560727.db2.gz QBLMMUSMBQOPNX-MNOVXSKESA-N 2 1 259.350 -1.254 20 0 CAADMP C[C@H](C[NH2+]CCO)N(C)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001270930215 775560729 /nfs/dbraw/zinc/56/07/29/775560729.db2.gz QBLMMUSMBQOPNX-MNOVXSKESA-N 2 1 259.350 -1.254 20 0 CAADMP O=C(Cc1cnc[nH]1)NC[C@@]1(O)CC[N@@H+](CCO)C1 ZINC001271191412 775591983 /nfs/dbraw/zinc/59/19/83/775591983.db2.gz DWEORJMNYNBUIN-LBPRGKRZSA-N 2 1 268.317 -1.503 20 0 CAADMP O=C(Cc1cnc[nH]1)NC[C@@]1(O)CC[N@H+](CCO)C1 ZINC001271191412 775591990 /nfs/dbraw/zinc/59/19/90/775591990.db2.gz DWEORJMNYNBUIN-LBPRGKRZSA-N 2 1 268.317 -1.503 20 0 CAADMP C[NH+](C)C1CCC(N2CN[C@H]([NH3+])[C@@H]3NCN[C@@H]32)CC1 ZINC001168312388 775686726 /nfs/dbraw/zinc/68/67/26/775686726.db2.gz UKIKCTGKTKSCGO-KAKVVRBNSA-N 2 1 268.409 -1.148 20 0 CAADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[N@H+](CCO)C[C@@H]2O)CC[NH+]1C ZINC001083473378 775697398 /nfs/dbraw/zinc/69/73/98/775697398.db2.gz YVTRNUBYHJBGDA-KKOKHZNYSA-N 2 1 271.361 -1.520 20 0 CAADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[NH+](CCO)C[C@@H]2O)CC[N@H+]1C ZINC001083473378 775697395 /nfs/dbraw/zinc/69/73/95/775697395.db2.gz YVTRNUBYHJBGDA-KKOKHZNYSA-N 2 1 271.361 -1.520 20 0 CAADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[N@@H+](CCO)C[C@@H]2O)CC[NH+]1C ZINC001083473378 775697403 /nfs/dbraw/zinc/69/74/03/775697403.db2.gz YVTRNUBYHJBGDA-KKOKHZNYSA-N 2 1 271.361 -1.520 20 0 CAADMP C[N@@H+]1CC[C@H](C(=O)N2CC[C@H]3C[NH+](CC(N)=O)C[C@H]32)C1 ZINC001076567632 775732858 /nfs/dbraw/zinc/73/28/58/775732858.db2.gz CMHOKJRPVISOSL-SDDRHHMPSA-N 2 1 280.372 -1.044 20 0 CAADMP C[N@H+]1CC[C@H](C(=O)N2CC[C@H]3C[NH+](CC(N)=O)C[C@H]32)C1 ZINC001076567632 775732863 /nfs/dbraw/zinc/73/28/63/775732863.db2.gz CMHOKJRPVISOSL-SDDRHHMPSA-N 2 1 280.372 -1.044 20 0 CAADMP C[NH+]1CC[C@H](C(=O)N2CC[C@H]3C[N@H+](CC(N)=O)C[C@H]32)C1 ZINC001076567632 775732871 /nfs/dbraw/zinc/73/28/71/775732871.db2.gz CMHOKJRPVISOSL-SDDRHHMPSA-N 2 1 280.372 -1.044 20 0 CAADMP C[NH+]1CC[C@H](C(=O)N2CC[C@H]3C[N@@H+](CC(N)=O)C[C@H]32)C1 ZINC001076567632 775732876 /nfs/dbraw/zinc/73/28/76/775732876.db2.gz CMHOKJRPVISOSL-SDDRHHMPSA-N 2 1 280.372 -1.044 20 0 CAADMP O=C(N[C@@H]1C[N@@H+](CCCO)C[C@H]1O)[C@@H]1C[NH+]2CCC1CC2 ZINC001077002859 775787719 /nfs/dbraw/zinc/78/77/19/775787719.db2.gz JSVHBETZCZRURG-MGPQQGTHSA-N 2 1 297.399 -1.128 20 0 CAADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[N@@H+](CCO)C[C@H]2O)CC[NH+]1C ZINC001077024941 775790812 /nfs/dbraw/zinc/79/08/12/775790812.db2.gz YVTRNUBYHJBGDA-DDHJBXDOSA-N 2 1 271.361 -1.520 20 0 CAADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[NH+](CCO)C[C@H]2O)CC[N@H+]1C ZINC001077024941 775790789 /nfs/dbraw/zinc/79/07/89/775790789.db2.gz YVTRNUBYHJBGDA-DDHJBXDOSA-N 2 1 271.361 -1.520 20 0 CAADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[N@H+](CCO)C[C@H]2O)CC[NH+]1C ZINC001077024941 775790800 /nfs/dbraw/zinc/79/08/00/775790800.db2.gz YVTRNUBYHJBGDA-DDHJBXDOSA-N 2 1 271.361 -1.520 20 0 CAADMP O=C(N[C@@H]1C[N@H+](CCO)C[C@H]1O)C12CCC[NH+]1CCC2 ZINC001077299677 775815628 /nfs/dbraw/zinc/81/56/28/775815628.db2.gz MWSYUZVMIBUEEO-VXGBXAGGSA-N 2 1 283.372 -1.232 20 0 CAADMP O=C(N[C@@H]1C[N@@H+](CCO)C[C@H]1O)C12CCC[NH+]1CCC2 ZINC001077299677 775815638 /nfs/dbraw/zinc/81/56/38/775815638.db2.gz MWSYUZVMIBUEEO-VXGBXAGGSA-N 2 1 283.372 -1.232 20 0 CAADMP [NH3+][C@@H]1NCN(C2CC[NH+](CC3CC3)CC2)[C@H]2NCN[C@H]21 ZINC001168368881 775817930 /nfs/dbraw/zinc/81/79/30/775817930.db2.gz RQCXKVWXNLVKPW-BFHYXJOUSA-N 2 1 280.420 -1.147 20 0 CAADMP COCC[N@@H+]1C[C@@H](NC(=O)Cn2cncc2C)[C@@H](O)C1 ZINC001083645071 775842645 /nfs/dbraw/zinc/84/26/45/775842645.db2.gz JSRCFXCVDYRUQB-NEPJUHHUSA-N 2 1 282.344 -1.001 20 0 CAADMP C[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1C[NH2+]CCO ZINC001105978277 775873579 /nfs/dbraw/zinc/87/35/79/775873579.db2.gz GRSZWPPTJGFSLC-UPJWGTAASA-N 2 1 285.388 -1.007 20 0 CAADMP C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1C[NH2+]CCO ZINC001105978277 775873587 /nfs/dbraw/zinc/87/35/87/775873587.db2.gz GRSZWPPTJGFSLC-UPJWGTAASA-N 2 1 285.388 -1.007 20 0 CAADMP C[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1C[NH2+]CC(N)=O ZINC001105973807 775873832 /nfs/dbraw/zinc/87/38/32/775873832.db2.gz CTGBQKGZNZZKGC-UTUOFQBUSA-N 2 1 298.387 -1.514 20 0 CAADMP C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1C[NH2+]CC(N)=O ZINC001105973807 775873836 /nfs/dbraw/zinc/87/38/36/775873836.db2.gz CTGBQKGZNZZKGC-UTUOFQBUSA-N 2 1 298.387 -1.514 20 0 CAADMP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1C[NH2+]CCO ZINC001105978276 775874196 /nfs/dbraw/zinc/87/41/96/775874196.db2.gz GRSZWPPTJGFSLC-JHJVBQTASA-N 2 1 285.388 -1.007 20 0 CAADMP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1C[NH2+]CCO ZINC001105978276 775874204 /nfs/dbraw/zinc/87/42/04/775874204.db2.gz GRSZWPPTJGFSLC-JHJVBQTASA-N 2 1 285.388 -1.007 20 0 CAADMP [NH3+]C[C@H]1C[C@H](NC(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)C1 ZINC001120541766 775878547 /nfs/dbraw/zinc/87/85/47/775878547.db2.gz BZSBXJBIHVLHNR-FIQHERPVSA-N 2 1 296.371 -1.883 20 0 CAADMP NC(=O)C[NH2+]CCCNC(=O)CC[NH+]1CCOCC1 ZINC001168417117 775880937 /nfs/dbraw/zinc/88/09/37/775880937.db2.gz MZQYWSNRJRQZRT-UHFFFAOYSA-N 2 1 272.349 -1.710 20 0 CAADMP C[C@H]([NH2+]CCCNC(=O)CC[NH+]1CCOCC1)C(N)=O ZINC001168416854 775881314 /nfs/dbraw/zinc/88/13/14/775881314.db2.gz FWEXICDMQJVCMU-NSHDSACASA-N 2 1 286.376 -1.322 20 0 CAADMP O=C(CC[NH+]1CCOCC1)NCCC[NH2+][C@H]1CCNC1=O ZINC001168416879 775881500 /nfs/dbraw/zinc/88/15/00/775881500.db2.gz GKTYYSODBHUSQI-LBPRGKRZSA-N 2 1 298.387 -1.307 20 0 CAADMP O=C(CC[NH+]1CCOCC1)NCCC[NH2+]CCO ZINC001168423890 775886967 /nfs/dbraw/zinc/88/69/67/775886967.db2.gz DEPCINJKKRCXMU-UHFFFAOYSA-N 2 1 259.350 -1.203 20 0 CAADMP C[NH+]1CCN(C(=O)[C@H]2CC(=O)N(C3C[NH2+]C3)C2)CC1 ZINC001121930781 775921154 /nfs/dbraw/zinc/92/11/54/775921154.db2.gz STJGSGUQUVDVID-JTQLQIEISA-N 2 1 266.345 -1.419 20 0 CAADMP CC[NH2+]C[C@H](O)CNC(=O)CC[NH+]1CCOCC1 ZINC001272546609 775931356 /nfs/dbraw/zinc/93/13/56/775931356.db2.gz UDTUSPJVWYLGQJ-NSHDSACASA-N 2 1 259.350 -1.205 20 0 CAADMP C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)NC[C@H]1COCC[NH2+]1 ZINC001122090082 775934141 /nfs/dbraw/zinc/93/41/41/775934141.db2.gz RGWAJRDEUNGLLF-WOPDTQHZSA-N 2 1 268.361 -1.521 20 0 CAADMP C[C@H]1C[C@@H](C(=O)N[C@@H]2C[NH+](CCO)C[C@@H]2O)CC[N@H+]1C ZINC001083728108 775952789 /nfs/dbraw/zinc/95/27/89/775952789.db2.gz GFKVEHLVFMUOCN-RVMXOQNASA-N 2 1 285.388 -1.130 20 0 CAADMP C[C@H]1C[C@@H](C(=O)N[C@@H]2C[N@H+](CCO)C[C@@H]2O)CC[NH+]1C ZINC001083728108 775952798 /nfs/dbraw/zinc/95/27/98/775952798.db2.gz GFKVEHLVFMUOCN-RVMXOQNASA-N 2 1 285.388 -1.130 20 0 CAADMP C[C@H]1C[C@@H](C(=O)N[C@@H]2C[N@@H+](CCO)C[C@@H]2O)CC[NH+]1C ZINC001083728108 775952806 /nfs/dbraw/zinc/95/28/06/775952806.db2.gz GFKVEHLVFMUOCN-RVMXOQNASA-N 2 1 285.388 -1.130 20 0 CAADMP C(CN1CC[NH2+]C[C@@]12CC[NH2+]C2)N1CCOCC1 ZINC001234982595 775956400 /nfs/dbraw/zinc/95/64/00/775956400.db2.gz VKRFKJMOKNKXDR-ZDUSSCGKSA-N 2 1 254.378 -1.044 20 0 CAADMP C[C@H](O)C[N@@H+]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001083749581 775975792 /nfs/dbraw/zinc/97/57/92/775975792.db2.gz HICHZHIGCMDIEC-UHTWSYAYSA-N 2 1 285.388 -1.130 20 0 CAADMP Cn1nnnc1C[NH2+]CCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001127474718 775985860 /nfs/dbraw/zinc/98/58/60/775985860.db2.gz OFKIWWATNYFHEP-LLVKDONJSA-N 2 1 293.375 -1.242 20 0 CAADMP Cn1nnnc1C[NH2+]CCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001127474720 775986625 /nfs/dbraw/zinc/98/66/25/775986625.db2.gz OFKIWWATNYFHEP-NSHDSACASA-N 2 1 293.375 -1.242 20 0 CAADMP C[N@H+]1CCC[C@@H]1C(=O)NCC[NH2+]CCN1C(=O)CNC1=O ZINC001124879586 776015181 /nfs/dbraw/zinc/01/51/81/776015181.db2.gz WVPNGNOGNRPHNQ-SNVBAGLBSA-N 2 1 297.359 -1.662 20 0 CAADMP C[N@H+]1CCC[C@@H]1C(=O)NCC[NH2+][C@H]1CCNC1=O ZINC001124872826 776015437 /nfs/dbraw/zinc/01/54/37/776015437.db2.gz NMLVVOZEDVKIOX-VHSXEESVSA-N 2 1 254.334 -1.325 20 0 CAADMP C[N@H+]1CCC[C@@H]1C(=O)NCC[NH2+][C@H]1CCC(=O)NC1=O ZINC001124877364 776016635 /nfs/dbraw/zinc/01/66/35/776016635.db2.gz GNZFKPREYWQUBG-VHSXEESVSA-N 2 1 282.344 -1.408 20 0 CAADMP C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2C[NH+](CCCO)C[C@@H]2O)C1 ZINC001083781623 776021038 /nfs/dbraw/zinc/02/10/38/776021038.db2.gz PCNOPGYAFZURTQ-UPJWGTAASA-N 2 1 285.388 -1.128 20 0 CAADMP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2C[N@H+](CCCO)C[C@@H]2O)C1 ZINC001083781623 776021050 /nfs/dbraw/zinc/02/10/50/776021050.db2.gz PCNOPGYAFZURTQ-UPJWGTAASA-N 2 1 285.388 -1.128 20 0 CAADMP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2C[N@@H+](CCCO)C[C@@H]2O)C1 ZINC001083781623 776021056 /nfs/dbraw/zinc/02/10/56/776021056.db2.gz PCNOPGYAFZURTQ-UPJWGTAASA-N 2 1 285.388 -1.128 20 0 CAADMP C[N@@H+]1CCO[C@H](C(=O)NCC[NH2+][C@@H]2CCNC2=O)C1 ZINC001125221248 776029022 /nfs/dbraw/zinc/02/90/22/776029022.db2.gz OPQHTTANRCIRIY-ZJUUUORDSA-N 2 1 270.333 -2.089 20 0 CAADMP C[N@H+]1CCO[C@H](C(=O)NCC[NH2+][C@@H]2CCNC2=O)C1 ZINC001125221248 776029030 /nfs/dbraw/zinc/02/90/30/776029030.db2.gz OPQHTTANRCIRIY-ZJUUUORDSA-N 2 1 270.333 -2.089 20 0 CAADMP C[N@@H+]1CCO[C@H](C(=O)NCC[NH2+]CCOCCO)C1 ZINC001125223161 776029177 /nfs/dbraw/zinc/02/91/77/776029177.db2.gz YNSFPDPQEYWFNB-NSHDSACASA-N 2 1 275.349 -1.968 20 0 CAADMP C[N@H+]1CCO[C@H](C(=O)NCC[NH2+]CCOCCO)C1 ZINC001125223161 776029182 /nfs/dbraw/zinc/02/91/82/776029182.db2.gz YNSFPDPQEYWFNB-NSHDSACASA-N 2 1 275.349 -1.968 20 0 CAADMP C[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+]CCOCCO)C1 ZINC001125223156 776029227 /nfs/dbraw/zinc/02/92/27/776029227.db2.gz YNSFPDPQEYWFNB-LLVKDONJSA-N 2 1 275.349 -1.968 20 0 CAADMP C[N@H+]1CCO[C@@H](C(=O)NCC[NH2+]CCOCCO)C1 ZINC001125223156 776029233 /nfs/dbraw/zinc/02/92/33/776029233.db2.gz YNSFPDPQEYWFNB-LLVKDONJSA-N 2 1 275.349 -1.968 20 0 CAADMP C[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+]CC(=O)NC(N)=O)C1 ZINC001125221166 776029376 /nfs/dbraw/zinc/02/93/76/776029376.db2.gz NSRQEPFLHRBUBW-MRVPVSSYSA-N 2 1 287.320 -2.782 20 0 CAADMP C[N@H+]1CCO[C@@H](C(=O)NCC[NH2+]CC(=O)NC(N)=O)C1 ZINC001125221166 776029382 /nfs/dbraw/zinc/02/93/82/776029382.db2.gz NSRQEPFLHRBUBW-MRVPVSSYSA-N 2 1 287.320 -2.782 20 0 CAADMP C[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+]CC(=O)NC2CC2)C1 ZINC001125221744 776029790 /nfs/dbraw/zinc/02/97/90/776029790.db2.gz TVSZOJQJJPTSRM-LLVKDONJSA-N 2 1 284.360 -1.699 20 0 CAADMP C[N@H+]1CCO[C@@H](C(=O)NCC[NH2+]CC(=O)NC2CC2)C1 ZINC001125221744 776029801 /nfs/dbraw/zinc/02/98/01/776029801.db2.gz TVSZOJQJJPTSRM-LLVKDONJSA-N 2 1 284.360 -1.699 20 0 CAADMP CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001125222787 776029821 /nfs/dbraw/zinc/02/98/21/776029821.db2.gz XLQFNWPSPFPUPO-JTQLQIEISA-N 2 1 272.349 -1.841 20 0 CAADMP CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001125222787 776029831 /nfs/dbraw/zinc/02/98/31/776029831.db2.gz XLQFNWPSPFPUPO-JTQLQIEISA-N 2 1 272.349 -1.841 20 0 CAADMP Cn1cc(CC[NH2+]CCNC(=O)[C@H]2C[N@H+](C)CCO2)cn1 ZINC001125222578 776029911 /nfs/dbraw/zinc/02/99/11/776029911.db2.gz WHJWZGJPVQNWLT-CYBMUJFWSA-N 2 1 295.387 -1.001 20 0 CAADMP Cn1cc(CC[NH2+]CCNC(=O)[C@H]2C[N@@H+](C)CCO2)cn1 ZINC001125222578 776029917 /nfs/dbraw/zinc/02/99/17/776029917.db2.gz WHJWZGJPVQNWLT-CYBMUJFWSA-N 2 1 295.387 -1.001 20 0 CAADMP CNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001125221453 776030432 /nfs/dbraw/zinc/03/04/32/776030432.db2.gz QICGNWXOJYHKME-ZJUUUORDSA-N 2 1 272.349 -1.843 20 0 CAADMP COC[C@H](O)C[NH2+]CCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001125221772 776030357 /nfs/dbraw/zinc/03/03/57/776030357.db2.gz UCMUYYHZORZTEY-GHMZBOCLSA-N 2 1 275.349 -1.970 20 0 CAADMP COC[C@H](O)C[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001125221772 776030364 /nfs/dbraw/zinc/03/03/64/776030364.db2.gz UCMUYYHZORZTEY-GHMZBOCLSA-N 2 1 275.349 -1.970 20 0 CAADMP C[N@@H+]1CCO[C@H](C(=O)NCC[NH2+][C@@H]2CCCNC2=O)C1 ZINC001125222410 776030381 /nfs/dbraw/zinc/03/03/81/776030381.db2.gz VUASVTAQVYKALX-MNOVXSKESA-N 2 1 284.360 -1.699 20 0 CAADMP C[N@H+]1CCO[C@H](C(=O)NCC[NH2+][C@@H]2CCCNC2=O)C1 ZINC001125222410 776030389 /nfs/dbraw/zinc/03/03/89/776030389.db2.gz VUASVTAQVYKALX-MNOVXSKESA-N 2 1 284.360 -1.699 20 0 CAADMP CNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001125221453 776030426 /nfs/dbraw/zinc/03/04/26/776030426.db2.gz QICGNWXOJYHKME-ZJUUUORDSA-N 2 1 272.349 -1.843 20 0 CAADMP Cn1nccc1CC[NH2+]CCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001125221372 776030597 /nfs/dbraw/zinc/03/05/97/776030597.db2.gz PNPRRFVKLTTWAH-CYBMUJFWSA-N 2 1 295.387 -1.001 20 0 CAADMP Cn1nccc1CC[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001125221372 776030604 /nfs/dbraw/zinc/03/06/04/776030604.db2.gz PNPRRFVKLTTWAH-CYBMUJFWSA-N 2 1 295.387 -1.001 20 0 CAADMP C[N@@H+]1CCO[C@H](C(=O)NCC[NH2+][C@H]2CCCNC2=O)C1 ZINC001125222411 776030681 /nfs/dbraw/zinc/03/06/81/776030681.db2.gz VUASVTAQVYKALX-QWRGUYRKSA-N 2 1 284.360 -1.699 20 0 CAADMP C[N@H+]1CCO[C@H](C(=O)NCC[NH2+][C@H]2CCCNC2=O)C1 ZINC001125222411 776030684 /nfs/dbraw/zinc/03/06/84/776030684.db2.gz VUASVTAQVYKALX-QWRGUYRKSA-N 2 1 284.360 -1.699 20 0 CAADMP CCN1CC[C@H]([NH2+]CCNC(=O)[C@H]2C[N@H+](C)CCO2)C1=O ZINC001125220173 776030784 /nfs/dbraw/zinc/03/07/84/776030784.db2.gz DMMMNZQFMPQKFR-NWDGAFQWSA-N 2 1 298.387 -1.356 20 0 CAADMP CCN1CC[C@H]([NH2+]CCNC(=O)[C@H]2C[N@@H+](C)CCO2)C1=O ZINC001125220173 776030790 /nfs/dbraw/zinc/03/07/90/776030790.db2.gz DMMMNZQFMPQKFR-NWDGAFQWSA-N 2 1 298.387 -1.356 20 0 CAADMP C[N@@H+]1CCO[C@H](C(=O)NCC[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001125223327 776030826 /nfs/dbraw/zinc/03/08/26/776030826.db2.gz ZXGCTJXOKXYTIY-ZJUUUORDSA-N 2 1 298.343 -2.172 20 0 CAADMP C[N@H+]1CCO[C@H](C(=O)NCC[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001125223327 776030832 /nfs/dbraw/zinc/03/08/32/776030832.db2.gz ZXGCTJXOKXYTIY-ZJUUUORDSA-N 2 1 298.343 -2.172 20 0 CAADMP CN1CC[C@@H]([NH2+]CCNC(=O)[C@H]2C[N@H+](C)CCO2)C1=O ZINC001125227502 776030879 /nfs/dbraw/zinc/03/08/79/776030879.db2.gz SRXOCPQIVDQIOV-GHMZBOCLSA-N 2 1 284.360 -1.747 20 0 CAADMP CN1CC[C@@H]([NH2+]CCNC(=O)[C@H]2C[N@@H+](C)CCO2)C1=O ZINC001125227502 776030886 /nfs/dbraw/zinc/03/08/86/776030886.db2.gz SRXOCPQIVDQIOV-GHMZBOCLSA-N 2 1 284.360 -1.747 20 0 CAADMP Cn1nccc1CC[NH2+]CCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001125221374 776030934 /nfs/dbraw/zinc/03/09/34/776030934.db2.gz PNPRRFVKLTTWAH-ZDUSSCGKSA-N 2 1 295.387 -1.001 20 0 CAADMP Cn1nccc1CC[NH2+]CCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001125221374 776030941 /nfs/dbraw/zinc/03/09/41/776030941.db2.gz PNPRRFVKLTTWAH-ZDUSSCGKSA-N 2 1 295.387 -1.001 20 0 CAADMP COC[C@H](O)C[NH2+]CCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001125221777 776031305 /nfs/dbraw/zinc/03/13/05/776031305.db2.gz UCMUYYHZORZTEY-MNOVXSKESA-N 2 1 275.349 -1.970 20 0 CAADMP COC[C@H](O)C[NH2+]CCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001125221777 776031309 /nfs/dbraw/zinc/03/13/09/776031309.db2.gz UCMUYYHZORZTEY-MNOVXSKESA-N 2 1 275.349 -1.970 20 0 CAADMP CN(C)C(=O)C[NH2+]CCNC(=O)[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001127779579 776039999 /nfs/dbraw/zinc/03/99/99/776039999.db2.gz OHBYDTDWVCGDRA-RYUDHWBXSA-N 2 1 298.387 -1.356 20 0 CAADMP CNC(=O)C[NH2+]CCNC(=O)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001127778429 776040572 /nfs/dbraw/zinc/04/05/72/776040572.db2.gz DUISSKIRMREXKI-GHMZBOCLSA-N 2 1 284.360 -1.699 20 0 CAADMP O=C(NCC[NH2+]CCCO)[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001127760622 776041084 /nfs/dbraw/zinc/04/10/84/776041084.db2.gz NXRCFYCWRLAYGT-RYUDHWBXSA-N 2 1 271.361 -1.062 20 0 CAADMP NC(=O)C[NH2+]CCNC(=O)[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001127777751 776041108 /nfs/dbraw/zinc/04/11/08/776041108.db2.gz BNMWKLJPCVZCMB-UWVGGRQHSA-N 2 1 270.333 -1.959 20 0 CAADMP CNC(=O)C[NH2+]CCNC(=O)[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001127778431 776041472 /nfs/dbraw/zinc/04/14/72/776041472.db2.gz DUISSKIRMREXKI-QWRGUYRKSA-N 2 1 284.360 -1.699 20 0 CAADMP CN(C)C(=O)C[NH2+]CCNC(=O)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001127779577 776041958 /nfs/dbraw/zinc/04/19/58/776041958.db2.gz OHBYDTDWVCGDRA-NEPJUHHUSA-N 2 1 298.387 -1.356 20 0 CAADMP C[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CCO)C[C@H]2O)CC1 ZINC001077618256 776047756 /nfs/dbraw/zinc/04/77/56/776047756.db2.gz DBAZRNNSAZQCEU-VXGBXAGGSA-N 2 1 271.361 -1.518 20 0 CAADMP C[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001077618397 776048172 /nfs/dbraw/zinc/04/81/72/776048172.db2.gz HICHZHIGCMDIEC-CYZMBNFOSA-N 2 1 285.388 -1.130 20 0 CAADMP O=C(NCC[NH2+]CCO)[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001127786303 776048682 /nfs/dbraw/zinc/04/86/82/776048682.db2.gz XWTHZGOJEKAUMQ-QWRGUYRKSA-N 2 1 257.334 -1.452 20 0 CAADMP O=C(NCC[NH2+]CCO)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001127786302 776048828 /nfs/dbraw/zinc/04/88/28/776048828.db2.gz XWTHZGOJEKAUMQ-MNOVXSKESA-N 2 1 257.334 -1.452 20 0 CAADMP C[C@H]1CC[N@@H+](CC(=O)N[C@@H]2C[NH+](CCCO)C[C@H]2O)C1 ZINC001077679342 776057626 /nfs/dbraw/zinc/05/76/26/776057626.db2.gz PCNOPGYAFZURTQ-YNEHKIRRSA-N 2 1 285.388 -1.128 20 0 CAADMP C[C@H]1CC[NH+](CC(=O)N[C@@H]2C[N@H+](CCCO)C[C@H]2O)C1 ZINC001077679342 776057632 /nfs/dbraw/zinc/05/76/32/776057632.db2.gz PCNOPGYAFZURTQ-YNEHKIRRSA-N 2 1 285.388 -1.128 20 0 CAADMP C[C@H]1CC[NH+](CC(=O)N[C@@H]2C[N@@H+](CCCO)C[C@H]2O)C1 ZINC001077679342 776057638 /nfs/dbraw/zinc/05/76/38/776057638.db2.gz PCNOPGYAFZURTQ-YNEHKIRRSA-N 2 1 285.388 -1.128 20 0 CAADMP C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2C[NH+](CCCO)C[C@H]2O)C1 ZINC001077679341 776059236 /nfs/dbraw/zinc/05/92/36/776059236.db2.gz PCNOPGYAFZURTQ-JHJVBQTASA-N 2 1 285.388 -1.128 20 0 CAADMP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2C[N@H+](CCCO)C[C@H]2O)C1 ZINC001077679341 776059239 /nfs/dbraw/zinc/05/92/39/776059239.db2.gz PCNOPGYAFZURTQ-JHJVBQTASA-N 2 1 285.388 -1.128 20 0 CAADMP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2C[N@@H+](CCCO)C[C@H]2O)C1 ZINC001077679341 776059243 /nfs/dbraw/zinc/05/92/43/776059243.db2.gz PCNOPGYAFZURTQ-JHJVBQTASA-N 2 1 285.388 -1.128 20 0 CAADMP Cn1cncc1[C@@H]1C[C@H]1C(=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001083789465 776074925 /nfs/dbraw/zinc/07/49/25/776074925.db2.gz CICJTIQCGLWKFS-UZWSLXQKSA-N 2 1 294.355 -1.323 20 0 CAADMP C[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001078010617 776111168 /nfs/dbraw/zinc/11/11/68/776111168.db2.gz CNKLWZOCOHNFNF-IJLUTSLNSA-N 2 1 283.372 -1.376 20 0 CAADMP C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2C[NH+](CCCO)C[C@H]2O)C1 ZINC001078007608 776111897 /nfs/dbraw/zinc/11/18/97/776111897.db2.gz VWOMKZUQODURLS-YNEHKIRRSA-N 2 1 285.388 -1.128 20 0 CAADMP C[NH+]1CC[C@@H](CC(=O)N[C@@H]2C[N@H+](CCCO)C[C@H]2O)C1 ZINC001078007608 776111901 /nfs/dbraw/zinc/11/19/01/776111901.db2.gz VWOMKZUQODURLS-YNEHKIRRSA-N 2 1 285.388 -1.128 20 0 CAADMP C[NH+]1CC[C@@H](CC(=O)N[C@@H]2C[N@@H+](CCCO)C[C@H]2O)C1 ZINC001078007608 776111905 /nfs/dbraw/zinc/11/19/05/776111905.db2.gz VWOMKZUQODURLS-YNEHKIRRSA-N 2 1 285.388 -1.128 20 0 CAADMP C[N@H+]1CC[C@H](CC(=O)N[C@@H]2C[NH+](CCO)C[C@H]2O)C1 ZINC001078007727 776112123 /nfs/dbraw/zinc/11/21/23/776112123.db2.gz YFCJJEMXLOMOFM-IJLUTSLNSA-N 2 1 271.361 -1.518 20 0 CAADMP C[NH+]1CC[C@H](CC(=O)N[C@@H]2C[N@H+](CCO)C[C@H]2O)C1 ZINC001078007727 776112131 /nfs/dbraw/zinc/11/21/31/776112131.db2.gz YFCJJEMXLOMOFM-IJLUTSLNSA-N 2 1 271.361 -1.518 20 0 CAADMP C[NH+]1CC[C@H](CC(=O)N[C@@H]2C[N@@H+](CCO)C[C@H]2O)C1 ZINC001078007727 776112140 /nfs/dbraw/zinc/11/21/40/776112140.db2.gz YFCJJEMXLOMOFM-IJLUTSLNSA-N 2 1 271.361 -1.518 20 0 CAADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@H+](C[C@H](C)O)C[C@H]1O ZINC001078183363 776130226 /nfs/dbraw/zinc/13/02/26/776130226.db2.gz NMEUBSKQLSXBOH-MVWJERBFSA-N 2 1 282.344 -1.266 20 0 CAADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@@H+](C[C@H](C)O)C[C@H]1O ZINC001078183363 776130228 /nfs/dbraw/zinc/13/02/28/776130228.db2.gz NMEUBSKQLSXBOH-MVWJERBFSA-N 2 1 282.344 -1.266 20 0 CAADMP C[NH+](C)CCN1C[C@H]2C[C@@H](C1)N2C(=O)C[N@H+]1CC[C@H](O)C1 ZINC001273069574 776188224 /nfs/dbraw/zinc/18/82/24/776188224.db2.gz KHQSRFBXMKVROB-MJBXVCDLSA-N 2 1 296.415 -1.100 20 0 CAADMP [NH3+]Cc1ncn(-c2nccnc2N2CC[NH2+]CC2)n1 ZINC001168749904 776195979 /nfs/dbraw/zinc/19/59/79/776195979.db2.gz OHMLMUYFCLVGKJ-UHFFFAOYSA-N 2 1 260.305 -1.074 20 0 CAADMP [NH3+]Cc1ncn(-c2ccnc(N3CC[NH2+]CC3)n2)n1 ZINC001168749865 776196794 /nfs/dbraw/zinc/19/67/94/776196794.db2.gz NOPLDAZVPOVEKT-UHFFFAOYSA-N 2 1 260.305 -1.074 20 0 CAADMP C[NH+]1CCN(c2ncc(N(CC[NH3+])CCO)cn2)CC1 ZINC001163836722 776304990 /nfs/dbraw/zinc/30/49/90/776304990.db2.gz GYKLSLMZOFPBEU-UHFFFAOYSA-N 2 1 280.376 -1.014 20 0 CAADMP C[C@@H]1C[N@H+](CC(N)=O)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001080935067 776340151 /nfs/dbraw/zinc/34/01/51/776340151.db2.gz JTXVORRABYVGDN-GMTAPVOTSA-N 2 1 268.361 -1.140 20 0 CAADMP C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001080935067 776340163 /nfs/dbraw/zinc/34/01/63/776340163.db2.gz JTXVORRABYVGDN-GMTAPVOTSA-N 2 1 268.361 -1.140 20 0 CAADMP C[C@@H]1C[NH+](CC(N)=O)C[C@H]1NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001080935067 776340173 /nfs/dbraw/zinc/34/01/73/776340173.db2.gz JTXVORRABYVGDN-GMTAPVOTSA-N 2 1 268.361 -1.140 20 0 CAADMP C[C@@H]1C[NH+](CC(N)=O)C[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001080935067 776340188 /nfs/dbraw/zinc/34/01/88/776340188.db2.gz JTXVORRABYVGDN-GMTAPVOTSA-N 2 1 268.361 -1.140 20 0 CAADMP CO[C@@H]1C[N@@H+](CCO)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001082370264 776412653 /nfs/dbraw/zinc/41/26/53/776412653.db2.gz ZLYCFZZBUSNERA-IJLUTSLNSA-N 2 1 271.361 -1.254 20 0 CAADMP CO[C@@H]1C[NH+](CCO)C[C@H]1NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001082370264 776412656 /nfs/dbraw/zinc/41/26/56/776412656.db2.gz ZLYCFZZBUSNERA-IJLUTSLNSA-N 2 1 271.361 -1.254 20 0 CAADMP CO[C@@H]1C[NH+](CCO)C[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001082370264 776412661 /nfs/dbraw/zinc/41/26/61/776412661.db2.gz ZLYCFZZBUSNERA-IJLUTSLNSA-N 2 1 271.361 -1.254 20 0 CAADMP C[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1[NH2+]CC(N)=O ZINC001082458159 776416229 /nfs/dbraw/zinc/41/62/29/776416229.db2.gz AFXYYPSGMJJKBT-MXWKQRLJSA-N 2 1 284.360 -1.761 20 0 CAADMP C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1[NH2+]CC(N)=O ZINC001082458159 776416234 /nfs/dbraw/zinc/41/62/34/776416234.db2.gz AFXYYPSGMJJKBT-MXWKQRLJSA-N 2 1 284.360 -1.761 20 0 CAADMP C[C@H](C(N)=O)[N@@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC001118933100 776418398 /nfs/dbraw/zinc/41/83/98/776418398.db2.gz HIEFLSXBVKVCKT-RGOKHQFPSA-N 2 1 268.317 -1.273 20 0 CAADMP C[C@H](C(N)=O)[N@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC001118933100 776418399 /nfs/dbraw/zinc/41/83/99/776418399.db2.gz HIEFLSXBVKVCKT-RGOKHQFPSA-N 2 1 268.317 -1.273 20 0 CAADMP C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2C[NH+](CCCO)C[C@@H]2O)C1 ZINC001083955081 776438594 /nfs/dbraw/zinc/43/85/94/776438594.db2.gz VWOMKZUQODURLS-XQQFMLRXSA-N 2 1 285.388 -1.128 20 0 CAADMP C[NH+]1CC[C@@H](CC(=O)N[C@@H]2C[N@H+](CCCO)C[C@@H]2O)C1 ZINC001083955081 776438596 /nfs/dbraw/zinc/43/85/96/776438596.db2.gz VWOMKZUQODURLS-XQQFMLRXSA-N 2 1 285.388 -1.128 20 0 CAADMP C[NH+]1CC[C@@H](CC(=O)N[C@@H]2C[N@@H+](CCCO)C[C@@H]2O)C1 ZINC001083955081 776438598 /nfs/dbraw/zinc/43/85/98/776438598.db2.gz VWOMKZUQODURLS-XQQFMLRXSA-N 2 1 285.388 -1.128 20 0 CAADMP C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2C[NH+](CCO)C[C@@H]2O)C1 ZINC001083955139 776438615 /nfs/dbraw/zinc/43/86/15/776438615.db2.gz YFCJJEMXLOMOFM-TUAOUCFPSA-N 2 1 271.361 -1.518 20 0 CAADMP C[NH+]1CC[C@@H](CC(=O)N[C@@H]2C[N@H+](CCO)C[C@@H]2O)C1 ZINC001083955139 776438616 /nfs/dbraw/zinc/43/86/16/776438616.db2.gz YFCJJEMXLOMOFM-TUAOUCFPSA-N 2 1 271.361 -1.518 20 0 CAADMP C[NH+]1CC[C@@H](CC(=O)N[C@@H]2C[N@@H+](CCO)C[C@@H]2O)C1 ZINC001083955139 776438618 /nfs/dbraw/zinc/43/86/18/776438618.db2.gz YFCJJEMXLOMOFM-TUAOUCFPSA-N 2 1 271.361 -1.518 20 0 CAADMP O=C(N[C@@H]1C[N@H+](CCO)C[C@@H]1O)C12CC[NH+](CC1)C2 ZINC001083957471 776439722 /nfs/dbraw/zinc/43/97/22/776439722.db2.gz ABTMQHMZYADJCI-MNOVXSKESA-N 2 1 269.345 -1.764 20 0 CAADMP O=C(N[C@@H]1C[N@@H+](CCO)C[C@@H]1O)C12CC[NH+](CC1)C2 ZINC001083957471 776439723 /nfs/dbraw/zinc/43/97/23/776439723.db2.gz ABTMQHMZYADJCI-MNOVXSKESA-N 2 1 269.345 -1.764 20 0 CAADMP NC(=O)[C@@H]1CN(c2ccc3c(n2)CC[NH2+]C3)CC[NH2+]1 ZINC001166724292 776453890 /nfs/dbraw/zinc/45/38/90/776453890.db2.gz SBEKLRWNYMJTOC-NSHDSACASA-N 2 1 261.329 -1.009 20 0 CAADMP NC(=O)[C@@H]1CN(c2cc3c(nn2)CC[NH2+]C3)CC[NH2+]1 ZINC001166725292 776454184 /nfs/dbraw/zinc/45/41/84/776454184.db2.gz JUJVFDQVICFZQU-JTQLQIEISA-N 2 1 262.317 -1.614 20 0 CAADMP CC(=O)N1CCN(C(=O)CN2CC[NH2+]CC[NH2+]CC2)CC1 ZINC001119682187 776462715 /nfs/dbraw/zinc/46/27/15/776462715.db2.gz ACHUAADSLHGPEN-UHFFFAOYSA-N 2 1 297.403 -1.828 20 0 CAADMP CN(CC[N@H+](C)CCO)C(=O)[C@@H]1C[NH+](C)CCO1 ZINC000823625361 776468408 /nfs/dbraw/zinc/46/84/08/776468408.db2.gz RHDSYNWPPIXNHK-NSHDSACASA-N 2 1 259.350 -1.301 20 0 CAADMP CN(CC[N@@H+](C)CCO)C(=O)[C@@H]1C[NH+](C)CCO1 ZINC000823625361 776468414 /nfs/dbraw/zinc/46/84/14/776468414.db2.gz RHDSYNWPPIXNHK-NSHDSACASA-N 2 1 259.350 -1.301 20 0 CAADMP CN(CC[NH+](C)CCO)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000823625361 776468416 /nfs/dbraw/zinc/46/84/16/776468416.db2.gz RHDSYNWPPIXNHK-NSHDSACASA-N 2 1 259.350 -1.301 20 0 CAADMP CN(CC[NH+](C)CCO)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000823625361 776468421 /nfs/dbraw/zinc/46/84/21/776468421.db2.gz RHDSYNWPPIXNHK-NSHDSACASA-N 2 1 259.350 -1.301 20 0 CAADMP CN(C[C@@H]1CC[N@H+]1CCO)C(=O)[C@@H]1CN(C)CCO1 ZINC001085531594 776487186 /nfs/dbraw/zinc/48/71/86/776487186.db2.gz WBPVNJSGVLUGAO-RYUDHWBXSA-N 2 1 271.361 -1.158 20 0 CAADMP C[N@@H+]1CCO[C@H](C(=O)NC[C@H]2C[C@@H]([NH2+]CC(N)=O)C2)C1 ZINC001086052554 776498296 /nfs/dbraw/zinc/49/82/96/776498296.db2.gz NRWFVYHIKKSXPA-AXFHLTTASA-N 2 1 284.360 -1.713 20 0 CAADMP C[N@H+]1CCO[C@H](C(=O)NC[C@H]2C[C@@H]([NH2+]CC(N)=O)C2)C1 ZINC001086052554 776498301 /nfs/dbraw/zinc/49/83/01/776498301.db2.gz NRWFVYHIKKSXPA-AXFHLTTASA-N 2 1 284.360 -1.713 20 0 CAADMP C[C@@H]([NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1)C(N)=O ZINC001086051808 776498579 /nfs/dbraw/zinc/49/85/79/776498579.db2.gz LMCMBVANVWYNGD-WYUUTHIRSA-N 2 1 298.387 -1.325 20 0 CAADMP C[C@@H]([NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1)C(N)=O ZINC001086051808 776498585 /nfs/dbraw/zinc/49/85/85/776498585.db2.gz LMCMBVANVWYNGD-WYUUTHIRSA-N 2 1 298.387 -1.325 20 0 CAADMP C[C@H]([NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1)C(N)=O ZINC001086051809 776498979 /nfs/dbraw/zinc/49/89/79/776498979.db2.gz LMCMBVANVWYNGD-YFKTTZPYSA-N 2 1 298.387 -1.325 20 0 CAADMP C[C@H]([NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1)C(N)=O ZINC001086051809 776498983 /nfs/dbraw/zinc/49/89/83/776498983.db2.gz LMCMBVANVWYNGD-YFKTTZPYSA-N 2 1 298.387 -1.325 20 0 CAADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@H]2C[C@@H]([NH2+]CC(N)=O)C2)O1 ZINC001086120374 776499595 /nfs/dbraw/zinc/49/95/95/776499595.db2.gz XAYGGRSKAJOKNC-WISYIIOYSA-N 2 1 298.387 -1.325 20 0 CAADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@H]2C[C@@H]([NH2+]CC(N)=O)C2)O1 ZINC001086120374 776499602 /nfs/dbraw/zinc/49/96/02/776499602.db2.gz XAYGGRSKAJOKNC-WISYIIOYSA-N 2 1 298.387 -1.325 20 0 CAADMP C[N@H+]1CC[C@H](C(=O)NC[C@H]2C[C@@H]([NH2+]CC(N)=O)C2)C1 ZINC001086271812 776504835 /nfs/dbraw/zinc/50/48/35/776504835.db2.gz LTGIOMOHOHSETF-GARJFASQSA-N 2 1 268.361 -1.092 20 0 CAADMP C[C@H]([NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1)C(N)=O ZINC001086331928 776506167 /nfs/dbraw/zinc/50/61/67/776506167.db2.gz LMCMBVANVWYNGD-BJDJZHNGSA-N 2 1 298.387 -1.325 20 0 CAADMP C[C@H]([NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1)C(N)=O ZINC001086331928 776506173 /nfs/dbraw/zinc/50/61/73/776506173.db2.gz LMCMBVANVWYNGD-BJDJZHNGSA-N 2 1 298.387 -1.325 20 0 CAADMP CCNC(=O)C[NH2+]CCCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001156145212 776512950 /nfs/dbraw/zinc/51/29/50/776512950.db2.gz KDQHNZGIUKCKOO-LLVKDONJSA-N 2 1 286.376 -1.451 20 0 CAADMP CCNC(=O)C[NH2+]CCCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001156145212 776512956 /nfs/dbraw/zinc/51/29/56/776512956.db2.gz KDQHNZGIUKCKOO-LLVKDONJSA-N 2 1 286.376 -1.451 20 0 CAADMP C[N@@H+]1CCO[C@H](C(=O)NCCC[NH2+][C@H]2CCCNC2=O)C1 ZINC001156145518 776513022 /nfs/dbraw/zinc/51/30/22/776513022.db2.gz MOZWHBLCYYXHJP-RYUDHWBXSA-N 2 1 298.387 -1.309 20 0 CAADMP C[N@H+]1CCO[C@H](C(=O)NCCC[NH2+][C@H]2CCCNC2=O)C1 ZINC001156145518 776513026 /nfs/dbraw/zinc/51/30/26/776513026.db2.gz MOZWHBLCYYXHJP-RYUDHWBXSA-N 2 1 298.387 -1.309 20 0 CAADMP C[N@@H+]1CCO[C@@H](C(=O)NCCC[NH2+]CC(=O)NC2CC2)C1 ZINC001156144193 776513246 /nfs/dbraw/zinc/51/32/46/776513246.db2.gz BDRMPWZAWIUNTL-GFCCVEGCSA-N 2 1 298.387 -1.309 20 0 CAADMP C[N@H+]1CCO[C@@H](C(=O)NCCC[NH2+]CC(=O)NC2CC2)C1 ZINC001156144193 776513249 /nfs/dbraw/zinc/51/32/49/776513249.db2.gz BDRMPWZAWIUNTL-GFCCVEGCSA-N 2 1 298.387 -1.309 20 0 CAADMP CN1CC[C@@H]([NH2+]CCCNC(=O)[C@H]2C[N@H+](C)CCO2)C1=O ZINC001156124920 776513267 /nfs/dbraw/zinc/51/32/67/776513267.db2.gz BPGCFUCNWVRFJZ-VXGBXAGGSA-N 2 1 298.387 -1.356 20 0 CAADMP CN1CC[C@@H]([NH2+]CCCNC(=O)[C@H]2C[N@@H+](C)CCO2)C1=O ZINC001156124920 776513270 /nfs/dbraw/zinc/51/32/70/776513270.db2.gz BPGCFUCNWVRFJZ-VXGBXAGGSA-N 2 1 298.387 -1.356 20 0 CAADMP C[C@@H]([NH2+]CCCNC(=O)[C@H]1C[N@H+](C)CCO1)C(N)=O ZINC001156125920 776513327 /nfs/dbraw/zinc/51/33/27/776513327.db2.gz QJMVORKJGFKCHJ-NXEZZACHSA-N 2 1 272.349 -1.713 20 0 CAADMP C[C@@H]([NH2+]CCCNC(=O)[C@H]1C[N@@H+](C)CCO1)C(N)=O ZINC001156125920 776513332 /nfs/dbraw/zinc/51/33/32/776513332.db2.gz QJMVORKJGFKCHJ-NXEZZACHSA-N 2 1 272.349 -1.713 20 0 CAADMP CNC(=O)C[NH2+]CCCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001156145205 776513915 /nfs/dbraw/zinc/51/39/15/776513915.db2.gz KBWPLYDHWIYECE-JTQLQIEISA-N 2 1 272.349 -1.841 20 0 CAADMP CNC(=O)C[NH2+]CCCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001156145205 776513917 /nfs/dbraw/zinc/51/39/17/776513917.db2.gz KBWPLYDHWIYECE-JTQLQIEISA-N 2 1 272.349 -1.841 20 0 CAADMP C[C@@H]([NH2+]CCCNC(=O)[C@@H]1C[N@H+](C)CCO1)C(N)=O ZINC001156125923 776514180 /nfs/dbraw/zinc/51/41/80/776514180.db2.gz QJMVORKJGFKCHJ-ZJUUUORDSA-N 2 1 272.349 -1.713 20 0 CAADMP C[C@@H]([NH2+]CCCNC(=O)[C@@H]1C[N@@H+](C)CCO1)C(N)=O ZINC001156125923 776514188 /nfs/dbraw/zinc/51/41/88/776514188.db2.gz QJMVORKJGFKCHJ-ZJUUUORDSA-N 2 1 272.349 -1.713 20 0 CAADMP CN1CC[C@H]([NH2+]CCCNC(=O)[C@@H]2C[N@H+](C)CCO2)C1=O ZINC001156124919 776514314 /nfs/dbraw/zinc/51/43/14/776514314.db2.gz BPGCFUCNWVRFJZ-RYUDHWBXSA-N 2 1 298.387 -1.356 20 0 CAADMP CN1CC[C@H]([NH2+]CCCNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1=O ZINC001156124919 776514318 /nfs/dbraw/zinc/51/43/18/776514318.db2.gz BPGCFUCNWVRFJZ-RYUDHWBXSA-N 2 1 298.387 -1.356 20 0 CAADMP CN1CC[C@H]([NH2+]CCCNC(=O)[C@H]2C[N@H+](C)CCO2)C1=O ZINC001156124918 776514335 /nfs/dbraw/zinc/51/43/35/776514335.db2.gz BPGCFUCNWVRFJZ-NWDGAFQWSA-N 2 1 298.387 -1.356 20 0 CAADMP CN1CC[C@H]([NH2+]CCCNC(=O)[C@H]2C[N@@H+](C)CCO2)C1=O ZINC001156124918 776514342 /nfs/dbraw/zinc/51/43/42/776514342.db2.gz BPGCFUCNWVRFJZ-NWDGAFQWSA-N 2 1 298.387 -1.356 20 0 CAADMP CNC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001156152092 776514708 /nfs/dbraw/zinc/51/47/08/776514708.db2.gz CJCIQTZBRHCUCZ-WDEREUQCSA-N 2 1 286.376 -1.453 20 0 CAADMP CNC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001156152092 776514714 /nfs/dbraw/zinc/51/47/14/776514714.db2.gz CJCIQTZBRHCUCZ-WDEREUQCSA-N 2 1 286.376 -1.453 20 0 CAADMP CNC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001156152091 776515790 /nfs/dbraw/zinc/51/57/90/776515790.db2.gz CJCIQTZBRHCUCZ-QWRGUYRKSA-N 2 1 286.376 -1.453 20 0 CAADMP CNC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001156152091 776515794 /nfs/dbraw/zinc/51/57/94/776515794.db2.gz CJCIQTZBRHCUCZ-QWRGUYRKSA-N 2 1 286.376 -1.453 20 0 CAADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](N1CN[C@H]([NH3+])[C@@H]3NCN[C@@H]31)C2 ZINC001169119327 776522210 /nfs/dbraw/zinc/52/22/10/776522210.db2.gz RGVBVHPOKRCCEY-JQPUBBMISA-N 2 1 266.393 -1.396 20 0 CAADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](N1CN[C@H]([NH3+])[C@@H]3NCN[C@@H]31)C2 ZINC001169119327 776522216 /nfs/dbraw/zinc/52/22/16/776522216.db2.gz RGVBVHPOKRCCEY-JQPUBBMISA-N 2 1 266.393 -1.396 20 0 CAADMP CC[NH+]1CCC(N2CN[C@H]([NH3+])[C@@H]3NCN[C@@H]32)CC1 ZINC001169240578 776522885 /nfs/dbraw/zinc/52/28/85/776522885.db2.gz ARKSHMFNKZMLTD-SDDRHHMPSA-N 2 1 254.382 -1.537 20 0 CAADMP CC[NH+]1CCC(N2CN[C@H]([NH3+])[C@H]3NCN[C@@H]32)CC1 ZINC001169240577 776523473 /nfs/dbraw/zinc/52/34/73/776523473.db2.gz ARKSHMFNKZMLTD-GRYCIOLGSA-N 2 1 254.382 -1.537 20 0 CAADMP O=C1CO[C@H](CNc2nc(N3CC[NH2+]CC3)cc[nH+]2)CN1 ZINC001169269860 776523608 /nfs/dbraw/zinc/52/36/08/776523608.db2.gz IICGZOXXEUJTKP-JTQLQIEISA-N 2 1 292.343 -1.187 20 0 CAADMP NC(=O)[C@H](CO)Nc1nc(N2CC[NH2+]CC2)cc[nH+]1 ZINC001169322521 776523910 /nfs/dbraw/zinc/52/39/10/776523910.db2.gz CQVBJYXBPBNULV-QMMMGPOBSA-N 2 1 266.305 -1.856 20 0 CAADMP NC(=O)[C@H](CO)Nc1cc[nH+]c(N2CCC([NH3+])CC2)n1 ZINC001169328266 776526059 /nfs/dbraw/zinc/52/60/59/776526059.db2.gz RFUUJQUAMLYILH-VIFPVBQESA-N 2 1 280.332 -1.338 20 0 CAADMP CC(=O)N1CC[C@H]([NH2+]CCC[NH+](CCO)CCO)C1 ZINC001169496641 776529573 /nfs/dbraw/zinc/52/95/73/776529573.db2.gz NYXDBZJSNAWGKZ-ZDUSSCGKSA-N 2 1 273.377 -1.127 20 0 CAADMP C[C@H](O)C[NH2+]CCNC(=O)[C@H](Cn1cccn1)[NH+](C)C ZINC001129384968 776549384 /nfs/dbraw/zinc/54/93/84/776549384.db2.gz BHFZWZLHDDSVDH-RYUDHWBXSA-N 2 1 283.376 -1.100 20 0 CAADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CC[NH+](CCO)C[C@H]1O ZINC001100132506 776552941 /nfs/dbraw/zinc/55/29/41/776552941.db2.gz UYUHOZYPSSDPAT-VXGBXAGGSA-N 2 1 273.377 -1.130 20 0 CAADMP CC(C)[NH+](C)CC(=O)N[C@@H]1CC[N@H+](CCO)C[C@H]1O ZINC001100132506 776552943 /nfs/dbraw/zinc/55/29/43/776552943.db2.gz UYUHOZYPSSDPAT-VXGBXAGGSA-N 2 1 273.377 -1.130 20 0 CAADMP CC(C)[NH+](C)CC(=O)N[C@@H]1CC[N@@H+](CCO)C[C@H]1O ZINC001100132506 776552946 /nfs/dbraw/zinc/55/29/46/776552946.db2.gz UYUHOZYPSSDPAT-VXGBXAGGSA-N 2 1 273.377 -1.130 20 0 CAADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[N@H+](CCO)C[C@@H]1O ZINC001090434381 776554111 /nfs/dbraw/zinc/55/41/11/776554111.db2.gz YDDTWVOZQTXSMH-NEPJUHHUSA-N 2 1 282.344 -1.265 20 0 CAADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[N@@H+](CCO)C[C@@H]1O ZINC001090434381 776554113 /nfs/dbraw/zinc/55/41/13/776554113.db2.gz YDDTWVOZQTXSMH-NEPJUHHUSA-N 2 1 282.344 -1.265 20 0 CAADMP CC[N@@H+]1CCO[C@H](C(=O)NC[C@H]2C[C@H]([NH2+]CC(N)=O)C2)C1 ZINC001086557098 776567846 /nfs/dbraw/zinc/56/78/46/776567846.db2.gz YRMYYWDLSCONIO-SRVKXCTJSA-N 2 1 298.387 -1.323 20 0 CAADMP CC[N@H+]1CCO[C@H](C(=O)NC[C@H]2C[C@H]([NH2+]CC(N)=O)C2)C1 ZINC001086557098 776567851 /nfs/dbraw/zinc/56/78/51/776567851.db2.gz YRMYYWDLSCONIO-SRVKXCTJSA-N 2 1 298.387 -1.323 20 0 CAADMP CNC(=O)NC(=O)C[NH2+]CCNC(=O)C[N@@H+](C)C1CCC1 ZINC001129532114 776621770 /nfs/dbraw/zinc/62/17/70/776621770.db2.gz RHFJETLJGJLNMH-UHFFFAOYSA-N 2 1 299.375 -1.368 20 0 CAADMP C[N@H+]1CCC[C@@H]1CCC(=O)NCC[NH2+]CC(=O)NC(N)=O ZINC001129841437 776629370 /nfs/dbraw/zinc/62/93/70/776629370.db2.gz NFROZKCCFQDAGL-SNVBAGLBSA-N 2 1 299.375 -1.239 20 0 CAADMP CNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001130182531 776644164 /nfs/dbraw/zinc/64/41/64/776644164.db2.gz LXXKOAGAQSUZTG-GMTAPVOTSA-N 2 1 286.376 -1.454 20 0 CAADMP CNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001130182531 776644168 /nfs/dbraw/zinc/64/41/68/776644168.db2.gz LXXKOAGAQSUZTG-GMTAPVOTSA-N 2 1 286.376 -1.454 20 0 CAADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC[NH2+]CCn2cncn2)O1 ZINC001130182456 776644365 /nfs/dbraw/zinc/64/43/65/776644365.db2.gz IKSIQKZXJKPPOC-VXGBXAGGSA-N 2 1 296.375 -1.297 20 0 CAADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC[NH2+]CCn2cncn2)O1 ZINC001130182456 776644371 /nfs/dbraw/zinc/64/43/71/776644371.db2.gz IKSIQKZXJKPPOC-VXGBXAGGSA-N 2 1 296.375 -1.297 20 0 CAADMP CCNC(=O)C[NH2+]CCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001130180802 776644852 /nfs/dbraw/zinc/64/48/52/776644852.db2.gz ZOOMXAWRMIQEIW-GHMZBOCLSA-N 2 1 286.376 -1.453 20 0 CAADMP CCNC(=O)C[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001130180802 776644857 /nfs/dbraw/zinc/64/48/57/776644857.db2.gz ZOOMXAWRMIQEIW-GHMZBOCLSA-N 2 1 286.376 -1.453 20 0 CAADMP COC[C@@H](O)C[NH2+]CCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001130182454 776645017 /nfs/dbraw/zinc/64/50/17/776645017.db2.gz IJZXNKLSVJTNDB-GRYCIOLGSA-N 2 1 289.376 -1.581 20 0 CAADMP COC[C@@H](O)C[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001130182454 776645023 /nfs/dbraw/zinc/64/50/23/776645023.db2.gz IJZXNKLSVJTNDB-GRYCIOLGSA-N 2 1 289.376 -1.581 20 0 CAADMP CNC(=O)C[NH2+]CCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001130182595 776645275 /nfs/dbraw/zinc/64/52/75/776645275.db2.gz OPBKZKLUWGTWGD-NXEZZACHSA-N 2 1 272.349 -1.843 20 0 CAADMP CNC(=O)C[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001130182595 776645279 /nfs/dbraw/zinc/64/52/79/776645279.db2.gz OPBKZKLUWGTWGD-NXEZZACHSA-N 2 1 272.349 -1.843 20 0 CAADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC[NH2+]Cc2cnnn2C)O1 ZINC001130180286 776645332 /nfs/dbraw/zinc/64/53/32/776645332.db2.gz KZJSRJHOQJFULW-ZYHUDNBSSA-N 2 1 296.375 -1.260 20 0 CAADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC[NH2+]Cc2cnnn2C)O1 ZINC001130180286 776645335 /nfs/dbraw/zinc/64/53/35/776645335.db2.gz KZJSRJHOQJFULW-ZYHUDNBSSA-N 2 1 296.375 -1.260 20 0 CAADMP O=C(C[NH2+]C1CC[NH2+]CC1)N1CC[C@@H](O)[C@@H](CO)C1 ZINC001157933510 776646059 /nfs/dbraw/zinc/64/60/59/776646059.db2.gz ARCBKONVWMOWQC-ZYHUDNBSSA-N 2 1 271.361 -1.470 20 0 CAADMP C[C@@H]([NH2+]CCNC(=O)[C@@H]1CCCC[N@H+]1C)C(=O)NC(N)=O ZINC001130306283 776647837 /nfs/dbraw/zinc/64/78/37/776647837.db2.gz UQMSALGCIKBFCL-ZJUUUORDSA-N 2 1 299.375 -1.240 20 0 CAADMP C[C@H]([NH2+]CCNC(=O)[C@H]1CCCC[N@H+]1C)C(=O)NC(N)=O ZINC001130306282 776648445 /nfs/dbraw/zinc/64/84/45/776648445.db2.gz UQMSALGCIKBFCL-VHSXEESVSA-N 2 1 299.375 -1.240 20 0 CAADMP C[N@H+]1CCCC[C@@H]1C(=O)NCC[NH2+][C@H]1CCC(=O)NC1=O ZINC001130299904 776649174 /nfs/dbraw/zinc/64/91/74/776649174.db2.gz DFQOPJZDLIFFOR-WDEREUQCSA-N 2 1 296.371 -1.018 20 0 CAADMP C[N@H+]1CCCC[C@H]1C(=O)NCC[NH2+][C@H]1CCC(=O)NC1=O ZINC001130299903 776649306 /nfs/dbraw/zinc/64/93/06/776649306.db2.gz DFQOPJZDLIFFOR-QWRGUYRKSA-N 2 1 296.371 -1.018 20 0 CAADMP C[N@H+]1CCCC[C@@H]1C(=O)NCC[NH2+][C@@H]1CCC(=O)NC1=O ZINC001130299901 776649313 /nfs/dbraw/zinc/64/93/13/776649313.db2.gz DFQOPJZDLIFFOR-GHMZBOCLSA-N 2 1 296.371 -1.018 20 0 CAADMP C[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]CC(N)=O)C2)C1 ZINC001086664763 776689964 /nfs/dbraw/zinc/68/99/64/776689964.db2.gz CQAFDDXIRBOSBH-QJPTWQEYSA-N 2 1 298.387 -1.323 20 0 CAADMP C[N@H+]1CCO[C@@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]CC(N)=O)C2)C1 ZINC001086664763 776689966 /nfs/dbraw/zinc/68/99/66/776689966.db2.gz CQAFDDXIRBOSBH-QJPTWQEYSA-N 2 1 298.387 -1.323 20 0 CAADMP Cc1c[nH+]cn1CC(=O)NCC[NH2+][C@H]1CCNC1=O ZINC001131380737 776691100 /nfs/dbraw/zinc/69/11/00/776691100.db2.gz YUCWWSCPCOXIGD-JTQLQIEISA-N 2 1 265.317 -1.214 20 0 CAADMP Cc1c[nH+]cn1CC(=O)NCC[NH2+][C@@H](C)C(=O)NC(N)=O ZINC001131387627 776691703 /nfs/dbraw/zinc/69/17/03/776691703.db2.gz XHBWOWSLNKEGLU-VIFPVBQESA-N 2 1 296.331 -1.519 20 0 CAADMP Cc1c[nH+]cn1CC(=O)NCC[NH2+]CC(=O)N(C)C ZINC001131380701 776691862 /nfs/dbraw/zinc/69/18/62/776691862.db2.gz XIODLZXZRLHHFP-UHFFFAOYSA-N 2 1 267.333 -1.014 20 0 CAADMP Cc1c[nH+]cn1CC(=O)NCC[NH2+][C@@H]1CCC(=O)NC1=O ZINC001131380375 776692042 /nfs/dbraw/zinc/69/20/42/776692042.db2.gz KDIULPHQUGSUOE-SNVBAGLBSA-N 2 1 293.327 -1.297 20 0 CAADMP CNC(=O)NC(=O)C[NH2+]CCNC(=O)Cn1c[nH+]cc1C ZINC001131380202 776692436 /nfs/dbraw/zinc/69/24/36/776692436.db2.gz GSEHEYXIPWVBMH-UHFFFAOYSA-N 2 1 296.331 -1.647 20 0 CAADMP C[C@H](O)C[NH2+]CCNC(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001131520482 776693161 /nfs/dbraw/zinc/69/31/61/776693161.db2.gz ZBBBQIOKCSZSLS-ATWGWHJKSA-N 2 1 283.372 -1.064 20 0 CAADMP C[C@@H](O)C[NH2+]CCNC(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001131520484 776693174 /nfs/dbraw/zinc/69/31/74/776693174.db2.gz ZBBBQIOKCSZSLS-KTEZZQQRSA-N 2 1 283.372 -1.064 20 0 CAADMP O=C(NCC[NH2+]CCO)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001131522198 776693477 /nfs/dbraw/zinc/69/34/77/776693477.db2.gz WLFSODSZBKKCPY-AKJDGMEZSA-N 2 1 269.345 -1.452 20 0 CAADMP N[C@@H](CN1CCC([NH3+])CC1)C(=O)N1CCC[C@@H]2[NH2+]C[C@H]21 ZINC001158425332 776694751 /nfs/dbraw/zinc/69/47/51/776694751.db2.gz WUEBJLRZEFVWHW-RWMBFGLXSA-N 2 1 281.404 -1.300 20 0 CAADMP N[C@@H]1C[NH2+][C@H](C(=O)N2CC[C@@]34C[NH2+]C[C@@H](C[C@@H]3C2)O4)C1 ZINC001158546790 776715278 /nfs/dbraw/zinc/71/52/78/776715278.db2.gz MBMHCCIVJWDRLC-GHMOJZLGSA-N 2 1 280.372 -1.345 20 0 CAADMP CC(C)[N@H+]1CCO[C@@H](C(=O)NCC[NH2+]CCO)C1 ZINC001132848944 776753114 /nfs/dbraw/zinc/75/31/14/776753114.db2.gz XDYKEJJQAFSUTQ-LLVKDONJSA-N 2 1 259.350 -1.206 20 0 CAADMP CC(C)[N@H+]1CCO[C@@H](C(=O)NCC[NH2+][C@@H]2CCNC2=O)C1 ZINC001132858839 776753221 /nfs/dbraw/zinc/75/32/21/776753221.db2.gz LNPYPFWXFFRABT-VXGBXAGGSA-N 2 1 298.387 -1.310 20 0 CAADMP CC(C)[N@H+]1CCO[C@@H](C(=O)NCC[NH2+][C@H](C)C(N)=O)C1 ZINC001132848415 776753278 /nfs/dbraw/zinc/75/32/78/776753278.db2.gz HSAFMBQSUZOVFF-GHMZBOCLSA-N 2 1 286.376 -1.325 20 0 CAADMP C[C@H]1C[C@@H](C(=O)NCC[NH2+]CC(N)=O)CC[N@H+]1C ZINC001132886890 776754390 /nfs/dbraw/zinc/75/43/90/776754390.db2.gz VSWIUXWBYWQNDW-UWVGGRQHSA-N 2 1 256.350 -1.092 20 0 CAADMP Cc1[nH+]cc2n1C[C@@H](C(=O)NCC[NH2+]CC(N)=O)CC2 ZINC001133004847 776755736 /nfs/dbraw/zinc/75/57/36/776755736.db2.gz MERNEPHQWOTYQZ-JTQLQIEISA-N 2 1 279.344 -1.055 20 0 CAADMP Cn1nnnc1C[NH2+]CCNC(=O)CC[NH+](C)C ZINC001133294705 776776302 /nfs/dbraw/zinc/77/63/02/776776302.db2.gz PZSTZLGCFBNGJA-UHFFFAOYSA-N 2 1 255.326 -1.632 20 0 CAADMP Cn1cnnc1C[NH2+]CCNC(=O)CC[NH+](C)C ZINC001133294982 776776343 /nfs/dbraw/zinc/77/63/43/776776343.db2.gz YNAFGAASUIBRCL-UHFFFAOYSA-N 2 1 254.338 -1.027 20 0 CAADMP CNC(=O)C[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1C ZINC001133863090 776789819 /nfs/dbraw/zinc/78/98/19/776789819.db2.gz JREJEFHHEIHQJF-UWVGGRQHSA-N 2 1 256.350 -1.364 20 0 CAADMP C[C@H]1CC[N@@H+](CC(=O)NCC[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001133846267 776788872 /nfs/dbraw/zinc/78/88/72/776788872.db2.gz XNQNQOHGMQEBNC-WDEREUQCSA-N 2 1 296.371 -1.161 20 0 CAADMP C[C@H]([NH2+]CCNC(=O)C[N@H+]1CC[C@H](C)C1)C(N)=O ZINC001133845529 776789262 /nfs/dbraw/zinc/78/92/62/776789262.db2.gz IDKRVZBOIOMKLE-UWVGGRQHSA-N 2 1 256.350 -1.092 20 0 CAADMP C[C@@H]([NH2+]CCNC(=O)C[N@H+]1CCC[C@H]1C)C(=O)NC(N)=O ZINC001133833815 776789119 /nfs/dbraw/zinc/78/91/19/776789119.db2.gz GXQXEFLPHIXVKD-NXEZZACHSA-N 2 1 299.375 -1.240 20 0 CAADMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC[NH2+]CC(=O)N(C)C ZINC001133863547 776789423 /nfs/dbraw/zinc/78/94/23/776789423.db2.gz NWAKOMWBLQPVDV-QWRGUYRKSA-N 2 1 270.377 -1.022 20 0 CAADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC[NH2+]CCOCCO ZINC001133862142 776789596 /nfs/dbraw/zinc/78/95/96/776789596.db2.gz AWESWPYFFHAWND-NEPJUHHUSA-N 2 1 273.377 -1.101 20 0 CAADMP C[C@H]1CC[N@@H+](CC(=O)NCC[NH2+]CC(=O)NC(N)=O)C1 ZINC001133845677 776789730 /nfs/dbraw/zinc/78/97/30/776789730.db2.gz LNIUAUYXULTOJS-VIFPVBQESA-N 2 1 285.348 -1.771 20 0 CAADMP CNC(=O)C[NH2+]CCNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001133845468 776789892 /nfs/dbraw/zinc/78/98/92/776789892.db2.gz GPFXFTURQIYWSL-JTQLQIEISA-N 2 1 256.350 -1.220 20 0 CAADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC[NH2+]CC(=O)NC(N)=O ZINC001133864326 776789965 /nfs/dbraw/zinc/78/99/65/776789965.db2.gz ZBXGHROERIFYBZ-BDAKNGLRSA-N 2 1 285.348 -1.915 20 0 CAADMP CNC(=O)NC(=O)C[NH2+]CCNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001133845887 776789998 /nfs/dbraw/zinc/78/99/98/776789998.db2.gz PKUNQHSVCCWZCK-SNVBAGLBSA-N 2 1 299.375 -1.510 20 0 CAADMP C[C@H]1CCC[N@H+]1CC(=O)NCC[NH2+][C@@H]1CCC(=O)NC1=O ZINC001133819879 776790179 /nfs/dbraw/zinc/79/01/79/776790179.db2.gz QCAQUTCPQQSJQC-WDEREUQCSA-N 2 1 296.371 -1.018 20 0 CAADMP C[C@@H]([NH2+]CCNC(=O)C[N@H+]1CC[C@H](C)C1)C(=O)NC(N)=O ZINC001133851038 776790319 /nfs/dbraw/zinc/79/03/19/776790319.db2.gz VHSJDUUIUUXDQI-VHSXEESVSA-N 2 1 299.375 -1.383 20 0 CAADMP CNC(=O)C[NH2+]CCNC(=O)C[N@H+]1CCC[C@@H]1C ZINC001133823348 776790400 /nfs/dbraw/zinc/79/04/00/776790400.db2.gz CQSUNIMKKUCWIE-JTQLQIEISA-N 2 1 256.350 -1.078 20 0 CAADMP C[C@H]([NH2+]CCNC(=O)C[N@H+]1CC[C@H](C)C1)C(=O)NC(N)=O ZINC001133851037 776790539 /nfs/dbraw/zinc/79/05/39/776790539.db2.gz VHSJDUUIUUXDQI-UWVGGRQHSA-N 2 1 299.375 -1.383 20 0 CAADMP CNC(=O)C[NH2+]CCNC(=O)[C@@H]1C[N@@H+](C)C[C@H]1C ZINC001133863089 776790592 /nfs/dbraw/zinc/79/05/92/776790592.db2.gz JREJEFHHEIHQJF-NXEZZACHSA-N 2 1 256.350 -1.364 20 0 CAADMP C[C@@H]1CCC[N@H+]1CC(=O)NCC[NH2+]CC(=O)NC(N)=O ZINC001133819592 776790843 /nfs/dbraw/zinc/79/08/43/776790843.db2.gz IFEZWCURUOTYTC-SECBINFHSA-N 2 1 285.348 -1.629 20 0 CAADMP C[C@@H]1CC[N@@H+](CC(=O)NCC[NH2+]CC(=O)NC(N)=O)C1 ZINC001133845676 776790862 /nfs/dbraw/zinc/79/08/62/776790862.db2.gz LNIUAUYXULTOJS-SECBINFHSA-N 2 1 285.348 -1.771 20 0 CAADMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC[NH2+]CCOCCO ZINC001133862157 776790920 /nfs/dbraw/zinc/79/09/20/776790920.db2.gz AWESWPYFFHAWND-RYUDHWBXSA-N 2 1 273.377 -1.101 20 0 CAADMP C[C@H]([NH2+]CCNC(=O)C[N@H+]1CC[C@@H](C)C1)C(N)=O ZINC001133845531 776790937 /nfs/dbraw/zinc/79/09/37/776790937.db2.gz IDKRVZBOIOMKLE-ZJUUUORDSA-N 2 1 256.350 -1.092 20 0 CAADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC[NH2+]CCS(C)(=O)=O ZINC001133870952 776791642 /nfs/dbraw/zinc/79/16/42/776791642.db2.gz XWHKGDUFXTVRSD-MNOVXSKESA-N 2 1 291.417 -1.066 20 0 CAADMP CC1(C)CC[N@@H+](CC(=O)NCC[NH2+]CC(N)=O)C1 ZINC001133893337 776792072 /nfs/dbraw/zinc/79/20/72/776792072.db2.gz DGISHECYVSATFX-UHFFFAOYSA-N 2 1 256.350 -1.091 20 0 CAADMP Cc1[nH+]cc2n1CC[C@H](C(=O)NCC[NH2+]CC(N)=O)C2 ZINC001133869930 776792252 /nfs/dbraw/zinc/79/22/52/776792252.db2.gz NYTSBBWRLMPMDG-JTQLQIEISA-N 2 1 279.344 -1.055 20 0 CAADMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC[NH2+]CC(=O)NC(N)=O ZINC001133864328 776792308 /nfs/dbraw/zinc/79/23/08/776792308.db2.gz ZBXGHROERIFYBZ-IUCAKERBSA-N 2 1 285.348 -1.915 20 0 CAADMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCC[NH2+]CC(=O)NC(N)=O ZINC001133864327 776792651 /nfs/dbraw/zinc/79/26/51/776792651.db2.gz ZBXGHROERIFYBZ-DTWKUNHWSA-N 2 1 285.348 -1.915 20 0 CAADMP CNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)C[C@H]1C ZINC001133869836 776792687 /nfs/dbraw/zinc/79/26/87/776792687.db2.gz MHUHXPBCQMNWQT-ZJUUUORDSA-N 2 1 299.375 -1.655 20 0 CAADMP CC1(C)CC[N@@H+](CC(=O)NCC[NH2+]CC(=O)NC(N)=O)C1 ZINC001133894209 776793179 /nfs/dbraw/zinc/79/31/79/776793179.db2.gz XPLVVYJACOMMNK-UHFFFAOYSA-N 2 1 299.375 -1.381 20 0 CAADMP CN(C[C@@H](O)C[NH2+]CCCO)C(=O)[C@H]1CCC[N@H+]1C ZINC001284435448 777942583 /nfs/dbraw/zinc/94/25/83/777942583.db2.gz HSDWTZYLXKGHBD-NWDGAFQWSA-N 2 1 273.377 -1.128 20 0 CAADMP CN1CCN(C[C@H](O)C[NH2+]CCOCC[NH+](C)C)CC1 ZINC001118089819 779547416 /nfs/dbraw/zinc/54/74/16/779547416.db2.gz AEPVIYRVPINPFE-CQSZACIVSA-N 2 1 288.436 -1.238 20 0 CAADMP NC(=O)Cn1cc(C[NH+]2CCC(C[NH3+])CC2)nn1 ZINC001118177699 779550391 /nfs/dbraw/zinc/55/03/91/779550391.db2.gz XBGHZYIDBDOJST-UHFFFAOYSA-N 2 1 252.322 -1.066 20 0 CAADMP C[NH2+][C@@H](C(=O)NC[C@@H]1C[NH2+]CCO1)c1cnn(C)c1 ZINC001118264375 779558099 /nfs/dbraw/zinc/55/80/99/779558099.db2.gz FEJKIOCIZWLXMI-WDEREUQCSA-N 2 1 267.333 -1.215 20 0 CAADMP C[NH2+][C@H](C(=O)NC[C@@H]1C[NH2+]CCO1)c1cnn(C)c1 ZINC001118264374 779558154 /nfs/dbraw/zinc/55/81/54/779558154.db2.gz FEJKIOCIZWLXMI-QWRGUYRKSA-N 2 1 267.333 -1.215 20 0 CAADMP C[NH2+][C@@H](C(=O)NC[C@H]1C[NH2+]CCO1)c1cnn(C)c1 ZINC001118264372 779558389 /nfs/dbraw/zinc/55/83/89/779558389.db2.gz FEJKIOCIZWLXMI-GHMZBOCLSA-N 2 1 267.333 -1.215 20 0 CAADMP CNC(=O)[C@@H]1C[N@H+](C[C@H]2CC3(C[NH2+]C3)CO2)CCO1 ZINC001119682299 779623005 /nfs/dbraw/zinc/62/30/05/779623005.db2.gz FIIKXKNMGCGQFD-MNOVXSKESA-N 2 1 269.345 -1.188 20 0 CAADMP CNC(=O)[C@@H]1C[N@@H+](C[C@H]2CC3(C[NH2+]C3)CO2)CCO1 ZINC001119682299 779623007 /nfs/dbraw/zinc/62/30/07/779623007.db2.gz FIIKXKNMGCGQFD-MNOVXSKESA-N 2 1 269.345 -1.188 20 0 CAADMP COCC[N@@H+](C)C[C@H](O)CN1CC[NH2+]CC[NH2+]CC1 ZINC001119682684 779623206 /nfs/dbraw/zinc/62/32/06/779623206.db2.gz QXNFJJPSXOKKMR-ZDUSSCGKSA-N 3 1 274.409 -1.580 20 0 CAADMP COCC[N@H+](C)C[C@H](O)CN1CCNCC[NH2+]CC1 ZINC001119682684 779623209 /nfs/dbraw/zinc/62/32/09/779623209.db2.gz QXNFJJPSXOKKMR-ZDUSSCGKSA-N 2 1 274.409 -1.580 20 0 CAADMP COCC[N@@H+](C)C[C@H](O)CN1CCNCC[NH2+]CC1 ZINC001119682684 779623214 /nfs/dbraw/zinc/62/32/14/779623214.db2.gz QXNFJJPSXOKKMR-ZDUSSCGKSA-N 2 1 274.409 -1.580 20 0 CAADMP CCN1C(=O)[C@@H]2C[N@@H+]([C@H]3C[C@H]([NH3+])C[C@@H]3O)CCN2C1=O ZINC001119682198 779623249 /nfs/dbraw/zinc/62/32/49/779623249.db2.gz APRUXGGHQSXGSN-NAKRPEOUSA-N 2 1 282.344 -1.195 20 0 CAADMP CCN1C(=O)[C@@H]2C[N@H+]([C@H]3C[C@H]([NH3+])C[C@@H]3O)CCN2C1=O ZINC001119682198 779623253 /nfs/dbraw/zinc/62/32/53/779623253.db2.gz APRUXGGHQSXGSN-NAKRPEOUSA-N 2 1 282.344 -1.195 20 0 CAADMP CNC(=O)[C@H]1C[N@H+](C[C@H]2CC3(C[NH2+]C3)CO2)CCO1 ZINC001119682298 779623572 /nfs/dbraw/zinc/62/35/72/779623572.db2.gz FIIKXKNMGCGQFD-GHMZBOCLSA-N 2 1 269.345 -1.188 20 0 CAADMP CNC(=O)[C@H]1C[N@@H+](C[C@H]2CC3(C[NH2+]C3)CO2)CCO1 ZINC001119682298 779623577 /nfs/dbraw/zinc/62/35/77/779623577.db2.gz FIIKXKNMGCGQFD-GHMZBOCLSA-N 2 1 269.345 -1.188 20 0 CAADMP CCN1C(=O)[C@H]2C[N@@H+]([C@H]3C[C@H]([NH3+])C[C@@H]3O)CCN2C1=O ZINC001119682197 779623698 /nfs/dbraw/zinc/62/36/98/779623698.db2.gz APRUXGGHQSXGSN-MMWGEVLESA-N 2 1 282.344 -1.195 20 0 CAADMP CCN1C(=O)[C@H]2C[N@H+]([C@H]3C[C@H]([NH3+])C[C@@H]3O)CCN2C1=O ZINC001119682197 779623702 /nfs/dbraw/zinc/62/37/02/779623702.db2.gz APRUXGGHQSXGSN-MMWGEVLESA-N 2 1 282.344 -1.195 20 0 CAADMP C[C@H]1CN2CC[N@H+]1C[C@H]2C(=O)N(C)CCN1CC[NH2+]CC1 ZINC001121810628 779650815 /nfs/dbraw/zinc/65/08/15/779650815.db2.gz LQAKCNDEAJYRIW-KBPBESRZSA-N 2 1 295.431 -1.262 20 0 CAADMP C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N(C)CCN1CC[NH2+]CC1 ZINC001121810636 779650842 /nfs/dbraw/zinc/65/08/42/779650842.db2.gz LQAKCNDEAJYRIW-ZIAGYGMSSA-N 2 1 295.431 -1.262 20 0 CAADMP C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001122022733 779655056 /nfs/dbraw/zinc/65/50/56/779655056.db2.gz VJDHCADSLXTTCV-GCHJQGSQSA-N 2 1 250.346 -1.291 20 0 CAADMP CCN1CC[NH+](CCC(=O)NC[C@H](O)C[NH3+])CC1 ZINC001122149040 779659695 /nfs/dbraw/zinc/65/96/95/779659695.db2.gz RBBMKKCWXKZFOF-LLVKDONJSA-N 2 1 258.366 -1.550 20 0 CAADMP C[NH2+][C@H](C(=O)NC[C@H]1COCC[NH2+]1)c1cnn(C)c1 ZINC001122172227 779659796 /nfs/dbraw/zinc/65/97/96/779659796.db2.gz UQHJGJWGIIPHPA-QWRGUYRKSA-N 2 1 267.333 -1.215 20 0 CAADMP C[NH2+]CCOCCNC(=O)[C@H]1C[N@H+]2CCN1C[C@H]2C ZINC001122169193 779659814 /nfs/dbraw/zinc/65/98/14/779659814.db2.gz XKZDBUMIDMMTCM-VXGBXAGGSA-N 2 1 270.377 -1.273 20 0 CAADMP C[NH2+][C@@H](C(=O)NC[C@H]1COCC[NH2+]1)c1cnn(C)c1 ZINC001122172229 779659988 /nfs/dbraw/zinc/65/99/88/779659988.db2.gz UQHJGJWGIIPHPA-WDEREUQCSA-N 2 1 267.333 -1.215 20 0 CAADMP C[NH2+]CCOCCNC(=O)[C@H]1C[N@H+]2CCN1C[C@@H]2C ZINC001122169191 779660080 /nfs/dbraw/zinc/66/00/80/779660080.db2.gz XKZDBUMIDMMTCM-NWDGAFQWSA-N 2 1 270.377 -1.273 20 0 CAADMP C[C@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N(C)CCOCC[NH3+] ZINC001122172969 779661132 /nfs/dbraw/zinc/66/11/32/779661132.db2.gz ZBNFWSYQPJKATF-NWDGAFQWSA-N 2 1 270.377 -1.192 20 0 CAADMP O=C(N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO)C1(O)C[NH2+]C1 ZINC001122442451 779668774 /nfs/dbraw/zinc/66/87/74/779668774.db2.gz PLMDNIIUCYSIOH-MNOVXSKESA-N 2 1 269.345 -1.622 20 0 CAADMP CO[C@@H](C[NH3+])C(=O)N[C@H](C)[C@@H]1C[N@@H+](C)CCN1C ZINC001122449686 779669083 /nfs/dbraw/zinc/66/90/83/779669083.db2.gz WPKMRRMFJVNEOS-VWYCJHECSA-N 2 1 258.366 -1.289 20 0 CAADMP C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)NCCN1CC[NH+](C)CC1 ZINC001123484350 779689015 /nfs/dbraw/zinc/68/90/15/779689015.db2.gz RRGJLJXIPJNBIX-ZIAGYGMSSA-N 2 1 295.431 -1.262 20 0 CAADMP C[N@H+]1CCC[C@@H]1C(=O)NCC[NH2+]CCOCCO ZINC001124878456 779719391 /nfs/dbraw/zinc/71/93/91/779719391.db2.gz MSNSBNCPXRAHAK-LLVKDONJSA-N 2 1 259.350 -1.205 20 0 CAADMP CNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001124877104 779719364 /nfs/dbraw/zinc/71/93/64/779719364.db2.gz BOKISNBWTUGVFN-ZJUUUORDSA-N 2 1 256.350 -1.079 20 0 CAADMP C[C@H]([NH2+]CCNC(=O)[C@H]1CCC[N@H+]1C)C(=O)NC(N)=O ZINC001124866345 779719618 /nfs/dbraw/zinc/71/96/18/779719618.db2.gz AOQJJLFUGKEVIZ-DTWKUNHWSA-N 2 1 285.348 -1.630 20 0 CAADMP C[N@H+]1CCC[C@@H]1C(=O)NCC[NH2+]CCN1C(=O)CCC1=O ZINC001124867462 779719655 /nfs/dbraw/zinc/71/96/55/779719655.db2.gz WCGAYTZWDZAUTP-LLVKDONJSA-N 2 1 296.371 -1.065 20 0 CAADMP COC[C@H](O)C[NH2+]CCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001124877641 779719710 /nfs/dbraw/zinc/71/97/10/779719710.db2.gz HIZNJHQYLWMMTN-MNOVXSKESA-N 2 1 259.350 -1.206 20 0 CAADMP COC[C@@H](O)C[NH2+]CCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001124877643 779719766 /nfs/dbraw/zinc/71/97/66/779719766.db2.gz HIZNJHQYLWMMTN-QWRGUYRKSA-N 2 1 259.350 -1.206 20 0 CAADMP C[N@H+]1CCC[C@@H]1C(=O)NCC[NH2+]CCNS(C)(=O)=O ZINC001124878542 779719798 /nfs/dbraw/zinc/71/97/98/779719798.db2.gz NKIBEZNJEPKXBP-SNVBAGLBSA-N 2 1 292.405 -1.664 20 0 CAADMP CNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1CCC[N@H+]1C ZINC001124877097 779719866 /nfs/dbraw/zinc/71/98/66/779719866.db2.gz BOKISNBWTUGVFN-NXEZZACHSA-N 2 1 256.350 -1.079 20 0 CAADMP CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001124872260 779719926 /nfs/dbraw/zinc/71/99/26/779719926.db2.gz CLRLQNLSBJUJKM-JTQLQIEISA-N 2 1 256.350 -1.078 20 0 CAADMP CNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1CCC[N@H+]1C ZINC001124867728 779720083 /nfs/dbraw/zinc/72/00/83/779720083.db2.gz YQVHSNZZZZYWQK-VHSXEESVSA-N 2 1 299.375 -1.370 20 0 CAADMP C[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+]CCS(C)(=O)=O)C1 ZINC001125214429 779723451 /nfs/dbraw/zinc/72/34/51/779723451.db2.gz SZJJBBBZGOJWJA-SNVBAGLBSA-N 2 1 293.389 -1.933 20 0 CAADMP C[N@H+]1CCO[C@@H](C(=O)NCC[NH2+]CCS(C)(=O)=O)C1 ZINC001125214429 779723460 /nfs/dbraw/zinc/72/34/60/779723460.db2.gz SZJJBBBZGOJWJA-SNVBAGLBSA-N 2 1 293.389 -1.933 20 0 CAADMP CCCNC(=O)C[NH2+]CCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001125220226 779723841 /nfs/dbraw/zinc/72/38/41/779723841.db2.gz GAEKEHUSPMYIKY-LLVKDONJSA-N 2 1 286.376 -1.451 20 0 CAADMP CCCNC(=O)C[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001125220226 779723848 /nfs/dbraw/zinc/72/38/48/779723848.db2.gz GAEKEHUSPMYIKY-LLVKDONJSA-N 2 1 286.376 -1.451 20 0 CAADMP C[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+]CCN2CCNC2=O)C1 ZINC001125219761 779723872 /nfs/dbraw/zinc/72/38/72/779723872.db2.gz BHDXXAXWDHGQCM-LLVKDONJSA-N 2 1 299.375 -1.952 20 0 CAADMP C[N@H+]1CCO[C@@H](C(=O)NCC[NH2+]CCN2CCNC2=O)C1 ZINC001125219761 779723876 /nfs/dbraw/zinc/72/38/76/779723876.db2.gz BHDXXAXWDHGQCM-LLVKDONJSA-N 2 1 299.375 -1.952 20 0 CAADMP C[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+]CC(=O)N2CCCC2)C1 ZINC001125203952 779724187 /nfs/dbraw/zinc/72/41/87/779724187.db2.gz VWMRXPFERQJAED-GFCCVEGCSA-N 2 1 298.387 -1.355 20 0 CAADMP C[N@H+]1CCO[C@@H](C(=O)NCC[NH2+]CC(=O)N2CCCC2)C1 ZINC001125203952 779724193 /nfs/dbraw/zinc/72/41/93/779724193.db2.gz VWMRXPFERQJAED-GFCCVEGCSA-N 2 1 298.387 -1.355 20 0 CAADMP CC(C)NC(=O)C[NH2+]CCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001125213294 779724388 /nfs/dbraw/zinc/72/43/88/779724388.db2.gz DCLZWEONMKTQES-LLVKDONJSA-N 2 1 286.376 -1.453 20 0 CAADMP CC(C)NC(=O)C[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001125213294 779724392 /nfs/dbraw/zinc/72/43/92/779724392.db2.gz DCLZWEONMKTQES-LLVKDONJSA-N 2 1 286.376 -1.453 20 0 CAADMP C[N@@H+]1CCO[C@H](C(=O)NCC[NH2+]CC(=O)N2CCCC2)C1 ZINC001125203953 779724469 /nfs/dbraw/zinc/72/44/69/779724469.db2.gz VWMRXPFERQJAED-LBPRGKRZSA-N 2 1 298.387 -1.355 20 0 CAADMP C[N@H+]1CCO[C@H](C(=O)NCC[NH2+]CC(=O)N2CCCC2)C1 ZINC001125203953 779724473 /nfs/dbraw/zinc/72/44/73/779724473.db2.gz VWMRXPFERQJAED-LBPRGKRZSA-N 2 1 298.387 -1.355 20 0 CAADMP C[N@@H+]1CCO[C@H](C(=O)NCC[NH2+]CCN2CCCC2=O)C1 ZINC001125209072 779724621 /nfs/dbraw/zinc/72/46/21/779724621.db2.gz MNNKYTPGKZLQBY-LBPRGKRZSA-N 2 1 298.387 -1.355 20 0 CAADMP C[N@H+]1CCO[C@H](C(=O)NCC[NH2+]CCN2CCCC2=O)C1 ZINC001125209072 779724623 /nfs/dbraw/zinc/72/46/23/779724623.db2.gz MNNKYTPGKZLQBY-LBPRGKRZSA-N 2 1 298.387 -1.355 20 0 CAADMP C[C@@H]([NH2+]CCNC(=O)[C@@H]1C[N@H+](C)CCO1)C(=O)NC1CC1 ZINC001125203346 779724631 /nfs/dbraw/zinc/72/46/31/779724631.db2.gz MACHDUIEXBCQFX-PWSUYJOCSA-N 2 1 298.387 -1.310 20 0 CAADMP C[C@@H]([NH2+]CCNC(=O)[C@@H]1C[N@@H+](C)CCO1)C(=O)NC1CC1 ZINC001125203346 779724634 /nfs/dbraw/zinc/72/46/34/779724634.db2.gz MACHDUIEXBCQFX-PWSUYJOCSA-N 2 1 298.387 -1.310 20 0 CAADMP CC(C)NC(=O)C[NH2+]CCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001125213295 779724688 /nfs/dbraw/zinc/72/46/88/779724688.db2.gz DCLZWEONMKTQES-NSHDSACASA-N 2 1 286.376 -1.453 20 0 CAADMP CC(C)NC(=O)C[NH2+]CCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001125213295 779724691 /nfs/dbraw/zinc/72/46/91/779724691.db2.gz DCLZWEONMKTQES-NSHDSACASA-N 2 1 286.376 -1.453 20 0 CAADMP Cn1cncc1C[NH2+]CCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001125214383 779724824 /nfs/dbraw/zinc/72/48/24/779724824.db2.gz SAEDAHHVFQJARA-LBPRGKRZSA-N 2 1 281.360 -1.044 20 0 CAADMP Cn1cncc1C[NH2+]CCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001125214383 779724830 /nfs/dbraw/zinc/72/48/30/779724830.db2.gz SAEDAHHVFQJARA-LBPRGKRZSA-N 2 1 281.360 -1.044 20 0 CAADMP CC(C)[N@@H+](C)CC(=O)NCCN(CC[NH3+])N(O)N=O ZINC001142590895 779760185 /nfs/dbraw/zinc/76/01/85/779760185.db2.gz USQVMNZBKQJYAE-UHFFFAOYSA-N 2 1 276.341 -1.009 20 0 CAADMP CC[N@@H+]1CCO[C@H](C(=O)NCC[NH2+]C[C@H](C)O)C1 ZINC001151738976 779815247 /nfs/dbraw/zinc/81/52/47/779815247.db2.gz JJEYCUOOUQPJTF-QWRGUYRKSA-N 2 1 259.350 -1.206 20 0 CAADMP CC[N@H+]1CCO[C@H](C(=O)NCC[NH2+]C[C@H](C)O)C1 ZINC001151738976 779815253 /nfs/dbraw/zinc/81/52/53/779815253.db2.gz JJEYCUOOUQPJTF-QWRGUYRKSA-N 2 1 259.350 -1.206 20 0 CAADMP CC[C@H]([NH2+]CCNC(=O)[C@H]1CC[N@@H+](C)C1)C(N)=O ZINC001151064368 779801599 /nfs/dbraw/zinc/80/15/99/779801599.db2.gz ARMUPYBNBBGPAZ-UWVGGRQHSA-N 2 1 256.350 -1.092 20 0 CAADMP COC[C@H](O)C[NH2+]CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001151058100 779801757 /nfs/dbraw/zinc/80/17/57/779801757.db2.gz WIDRNKOPNMDCRU-GHMZBOCLSA-N 2 1 259.350 -1.349 20 0 CAADMP C[N@H+]1CC[C@H](C(=O)NCC[NH2+]CCS(C)(=O)=O)C1 ZINC001151049797 779801851 /nfs/dbraw/zinc/80/18/51/779801851.db2.gz ZEXOCZNLDRKNIJ-JTQLQIEISA-N 2 1 277.390 -1.312 20 0 CAADMP C[N@H+]1CC[C@H](C(=O)NCC[NH2+]CC(=O)NC(N)=O)C1 ZINC001151048757 779801896 /nfs/dbraw/zinc/80/18/96/779801896.db2.gz FOUQIVKSQKFKKS-QMMMGPOBSA-N 2 1 271.321 -2.161 20 0 CAADMP C[N@H+]1CC[C@H](C(=O)NCC[NH2+]CCN2CCNC2=O)C1 ZINC001151064360 779801973 /nfs/dbraw/zinc/80/19/73/779801973.db2.gz AOXVPYYZXTWCQB-NSHDSACASA-N 2 1 283.376 -1.331 20 0 CAADMP C[N@H+]1CC[C@@H](C(=O)NCC[NH2+][C@@H]2CCCNC2=O)C1 ZINC001151049544 779802105 /nfs/dbraw/zinc/80/21/05/779802105.db2.gz RQHCAIRPUYMXKB-GHMZBOCLSA-N 2 1 268.361 -1.078 20 0 CAADMP CNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001151065868 779802230 /nfs/dbraw/zinc/80/22/30/779802230.db2.gz NYMWDADOXWLDBM-NXEZZACHSA-N 2 1 299.375 -1.512 20 0 CAADMP CC[C@@H]([NH2+]CCNC(=O)[C@@H]1CC[N@@H+](C)C1)C(N)=O ZINC001151064367 779802489 /nfs/dbraw/zinc/80/24/89/779802489.db2.gz ARMUPYBNBBGPAZ-NXEZZACHSA-N 2 1 256.350 -1.092 20 0 CAADMP C[N@H+]1CC[C@H](C(=O)NCC[NH2+]CC(=O)N2CCC2)C1 ZINC001151044372 779802561 /nfs/dbraw/zinc/80/25/61/779802561.db2.gz RPBBGHQAJMIPIJ-NSHDSACASA-N 2 1 268.361 -1.124 20 0 CAADMP C[N@H+]1CC[C@@H](C(=O)NCC[NH2+]C[C@H](O)Cn2cccn2)C1 ZINC001151073114 779802612 /nfs/dbraw/zinc/80/26/12/779802612.db2.gz GICBLVVVVPOAKK-OLZOCXBDSA-N 2 1 295.387 -1.099 20 0 CAADMP C[N@H+]1CC[C@H](C(=O)NCC[NH2+]CC(=O)N2CCOCC2)C1 ZINC001151049171 779802647 /nfs/dbraw/zinc/80/26/47/779802647.db2.gz JGWFSCTZVCAJJK-LBPRGKRZSA-N 2 1 298.387 -1.497 20 0 CAADMP C[N@H+]1CC[C@H](C(=O)NCC[NH2+]C[C@H](O)Cn2cccn2)C1 ZINC001151073116 779802672 /nfs/dbraw/zinc/80/26/72/779802672.db2.gz GICBLVVVVPOAKK-STQMWFEESA-N 2 1 295.387 -1.099 20 0 CAADMP CNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001151065871 779803460 /nfs/dbraw/zinc/80/34/60/779803460.db2.gz NYMWDADOXWLDBM-UWVGGRQHSA-N 2 1 299.375 -1.512 20 0 CAADMP CCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001151049567 779803552 /nfs/dbraw/zinc/80/35/52/779803552.db2.gz SBIMVBGUGQQSOT-JTQLQIEISA-N 2 1 299.375 -1.510 20 0 CAADMP CNC(=O)C[NH2+]CCNC(=O)Cn1cc[nH+]c1C ZINC001151113888 779804169 /nfs/dbraw/zinc/80/41/69/779804169.db2.gz AEXRTRPWUIMDFI-UHFFFAOYSA-N 2 1 253.306 -1.357 20 0 CAADMP CNC(=O)NC(=O)C[NH2+]CCNC(=O)Cn1cc[nH+]c1C ZINC001151147148 779804341 /nfs/dbraw/zinc/80/43/41/779804341.db2.gz FOFLMBFHUKMZJA-UHFFFAOYSA-N 2 1 296.331 -1.647 20 0 CAADMP Cc1[nH+]ccn1CC(=O)NCC[NH2+][C@@H](C)C(N)=O ZINC001151115451 779804521 /nfs/dbraw/zinc/80/45/21/779804521.db2.gz XMUVLSCUYJTRBQ-QMMMGPOBSA-N 2 1 253.306 -1.229 20 0 CAADMP Cc1[nH+]ccn1CC(=O)NCC[NH2+]CCS(C)(=O)=O ZINC001151147862 779804550 /nfs/dbraw/zinc/80/45/50/779804550.db2.gz ZWHKOQYEIRRSJP-UHFFFAOYSA-N 2 1 288.373 -1.058 20 0 CAADMP C[C@H]([NH2+]CCNC(=O)[C@@H]1CC[N@@H+](C)C1)C(=O)NC(N)=O ZINC001151074378 779804607 /nfs/dbraw/zinc/80/46/07/779804607.db2.gz XLGRCWRYYSUNOD-DTWKUNHWSA-N 2 1 285.348 -1.773 20 0 CAADMP Cc1[nH+]ccn1CC(=O)NCC[NH2+][C@H](C)C(N)=O ZINC001151115450 779805108 /nfs/dbraw/zinc/80/51/08/779805108.db2.gz XMUVLSCUYJTRBQ-MRVPVSSYSA-N 2 1 253.306 -1.229 20 0 CAADMP CC[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+]C[C@@H](C)O)C1 ZINC001151738974 779812911 /nfs/dbraw/zinc/81/29/11/779812911.db2.gz JJEYCUOOUQPJTF-GHMZBOCLSA-N 2 1 259.350 -1.206 20 0 CAADMP CC[N@H+]1CCO[C@@H](C(=O)NCC[NH2+]C[C@@H](C)O)C1 ZINC001151738974 779812914 /nfs/dbraw/zinc/81/29/14/779812914.db2.gz JJEYCUOOUQPJTF-GHMZBOCLSA-N 2 1 259.350 -1.206 20 0 CAADMP CC[N@@H+]1CCO[C@H](C(=O)NCC[NH2+][C@H]2CCCNC2=O)C1 ZINC001151739338 779814606 /nfs/dbraw/zinc/81/46/06/779814606.db2.gz KYWNPLRUQVNHCO-RYUDHWBXSA-N 2 1 298.387 -1.309 20 0 CAADMP CC[N@H+]1CCO[C@H](C(=O)NCC[NH2+][C@H]2CCCNC2=O)C1 ZINC001151739338 779814613 /nfs/dbraw/zinc/81/46/13/779814613.db2.gz KYWNPLRUQVNHCO-RYUDHWBXSA-N 2 1 298.387 -1.309 20 0 CAADMP CC[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+]CC(=O)NC2CC2)C1 ZINC001151748694 779814762 /nfs/dbraw/zinc/81/47/62/779814762.db2.gz ICTOBBUIIJLHAH-GFCCVEGCSA-N 2 1 298.387 -1.309 20 0 CAADMP CC[N@H+]1CCO[C@@H](C(=O)NCC[NH2+]CC(=O)NC2CC2)C1 ZINC001151748694 779814771 /nfs/dbraw/zinc/81/47/71/779814771.db2.gz ICTOBBUIIJLHAH-GFCCVEGCSA-N 2 1 298.387 -1.309 20 0 CAADMP CC[N@@H+]1CCO[C@H](C(=O)NCC[NH2+]CC(N)=O)C1 ZINC001151749352 779815531 /nfs/dbraw/zinc/81/55/31/779815531.db2.gz VUMBUXTZPHVKCO-VIFPVBQESA-N 2 1 258.322 -2.102 20 0 CAADMP CC[N@H+]1CCO[C@H](C(=O)NCC[NH2+]CC(N)=O)C1 ZINC001151749352 779815538 /nfs/dbraw/zinc/81/55/38/779815538.db2.gz VUMBUXTZPHVKCO-VIFPVBQESA-N 2 1 258.322 -2.102 20 0 CAADMP CC[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+][C@@H]2CCCNC2=O)C1 ZINC001151739339 779815927 /nfs/dbraw/zinc/81/59/27/779815927.db2.gz KYWNPLRUQVNHCO-VXGBXAGGSA-N 2 1 298.387 -1.309 20 0 CAADMP CC[N@H+]1CCO[C@@H](C(=O)NCC[NH2+][C@@H]2CCCNC2=O)C1 ZINC001151739339 779815931 /nfs/dbraw/zinc/81/59/31/779815931.db2.gz KYWNPLRUQVNHCO-VXGBXAGGSA-N 2 1 298.387 -1.309 20 0 CAADMP CC[C@@H]([NH2+]CCNC(=O)[C@@H]1C[N@H+](CC)CCO1)C(N)=O ZINC001151740250 779815985 /nfs/dbraw/zinc/81/59/85/779815985.db2.gz QZMNSTSCVAHRPN-MNOVXSKESA-N 2 1 286.376 -1.323 20 0 CAADMP CC[C@@H]([NH2+]CCNC(=O)[C@@H]1C[N@@H+](CC)CCO1)C(N)=O ZINC001151740250 779815988 /nfs/dbraw/zinc/81/59/88/779815988.db2.gz QZMNSTSCVAHRPN-MNOVXSKESA-N 2 1 286.376 -1.323 20 0 CAADMP CC(C)[N@@H+](C)CC(=O)NCC[NH2+][C@@H](C)C(=O)NC(N)=O ZINC001152445259 779823742 /nfs/dbraw/zinc/82/37/42/779823742.db2.gz FSPLSCSVAYEDDV-VIFPVBQESA-N 2 1 287.364 -1.384 20 0 CAADMP CC(C)[N@@H+](C)CC(=O)NCC[NH2+][C@H]1CCC(=O)NC1=O ZINC001152426077 779823764 /nfs/dbraw/zinc/82/37/64/779823764.db2.gz CGPMFYHNYJSXCL-JTQLQIEISA-N 2 1 284.360 -1.162 20 0 CAADMP CNC(=O)NC(=O)C[NH2+]CCNC(=O)C[N@@H+](C)C(C)C ZINC001152439422 779824596 /nfs/dbraw/zinc/82/45/96/779824596.db2.gz LLRSATVWNSPHSZ-UHFFFAOYSA-N 2 1 287.364 -1.512 20 0 CAADMP CC(C)[N@@H+](C)CC(=O)NCC[NH2+]CCNS(C)(=O)=O ZINC001152432514 779824673 /nfs/dbraw/zinc/82/46/73/779824673.db2.gz IZQSRTLNCFKDOF-UHFFFAOYSA-N 2 1 294.421 -1.418 20 0 CAADMP Cn1[nH]c(C[NH2+]CCCNC(=O)[C@H]2CCC[N@H+]2C)nc1=O ZINC001155790979 779877202 /nfs/dbraw/zinc/87/72/02/779877202.db2.gz QDAOGNDHTMTSBK-SNVBAGLBSA-N 2 1 296.375 -1.202 20 0 CAADMP C[C@H]([NH2+]CCCNC(=O)[C@@H]1CCC[N@H+]1C)C(=O)NC(N)=O ZINC001155821916 779877277 /nfs/dbraw/zinc/87/72/77/779877277.db2.gz FDNLZGMJZISAFO-UWVGGRQHSA-N 2 1 299.375 -1.240 20 0 CAADMP C[N@H+]1CCC[C@@H]1C(=O)NCCC[NH2+]CC(=O)NC(N)=O ZINC001155791284 779877775 /nfs/dbraw/zinc/87/77/75/779877775.db2.gz VFWKENSVGGWWNW-SECBINFHSA-N 2 1 285.348 -1.629 20 0 CAADMP CNC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001155791812 779877862 /nfs/dbraw/zinc/87/78/62/779877862.db2.gz YSPLLSCDOWLQQT-JTQLQIEISA-N 2 1 299.375 -1.368 20 0 CAADMP C[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CC(=O)NC(N)=O ZINC001155791285 779877989 /nfs/dbraw/zinc/87/79/89/779877989.db2.gz VFWKENSVGGWWNW-VIFPVBQESA-N 2 1 285.348 -1.629 20 0 CAADMP C[N@H+]1CCC[C@@H]1C(=O)NCCC[NH2+][C@H]1CCC(=O)NC1=O ZINC001155795529 779878134 /nfs/dbraw/zinc/87/81/34/779878134.db2.gz HSBBDQUTDBTOSZ-WDEREUQCSA-N 2 1 296.371 -1.018 20 0 CAADMP C[N@@H+]1CCO[C@H](C(=O)NCCC[NH2+]CC(N)=O)C1 ZINC001156144711 779882748 /nfs/dbraw/zinc/88/27/48/779882748.db2.gz FIKLLLUJGKIWIV-VIFPVBQESA-N 2 1 258.322 -2.102 20 0 CAADMP C[N@H+]1CCO[C@H](C(=O)NCCC[NH2+]CC(N)=O)C1 ZINC001156144711 779882755 /nfs/dbraw/zinc/88/27/55/779882755.db2.gz FIKLLLUJGKIWIV-VIFPVBQESA-N 2 1 258.322 -2.102 20 0 CAADMP Cn1nncc1C[NH2+]CCCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001156145232 779882999 /nfs/dbraw/zinc/88/29/99/779882999.db2.gz KJKAHQTWVXKVLU-GFCCVEGCSA-N 2 1 296.375 -1.258 20 0 CAADMP Cn1nncc1C[NH2+]CCCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001156145232 779883008 /nfs/dbraw/zinc/88/30/08/779883008.db2.gz KJKAHQTWVXKVLU-GFCCVEGCSA-N 2 1 296.375 -1.258 20 0 CAADMP Cn1nncc1C[NH2+]CCCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001156145233 779883156 /nfs/dbraw/zinc/88/31/56/779883156.db2.gz KJKAHQTWVXKVLU-LBPRGKRZSA-N 2 1 296.375 -1.258 20 0 CAADMP Cn1nncc1C[NH2+]CCCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001156145233 779883164 /nfs/dbraw/zinc/88/31/64/779883164.db2.gz KJKAHQTWVXKVLU-LBPRGKRZSA-N 2 1 296.375 -1.258 20 0 CAADMP CC[C@@H]([NH2+]CCCNC(=O)[C@@H]1C[N@H+](C)CCO1)C(N)=O ZINC001156125209 779883176 /nfs/dbraw/zinc/88/31/76/779883176.db2.gz LEZJKNZFXFLDSM-MNOVXSKESA-N 2 1 286.376 -1.323 20 0 CAADMP CC[C@@H]([NH2+]CCCNC(=O)[C@@H]1C[N@@H+](C)CCO1)C(N)=O ZINC001156125209 779883182 /nfs/dbraw/zinc/88/31/82/779883182.db2.gz LEZJKNZFXFLDSM-MNOVXSKESA-N 2 1 286.376 -1.323 20 0 CAADMP CC[C@H]([NH2+]CCCNC(=O)[C@H]1C[N@H+](C)CCO1)C(N)=O ZINC001156125211 779883304 /nfs/dbraw/zinc/88/33/04/779883304.db2.gz LEZJKNZFXFLDSM-WDEREUQCSA-N 2 1 286.376 -1.323 20 0 CAADMP CC[C@H]([NH2+]CCCNC(=O)[C@H]1C[N@@H+](C)CCO1)C(N)=O ZINC001156125211 779883311 /nfs/dbraw/zinc/88/33/11/779883311.db2.gz LEZJKNZFXFLDSM-WDEREUQCSA-N 2 1 286.376 -1.323 20 0 CAADMP C[N@@H+]1CCO[C@H](C(=O)NCCC[NH2+][C@@H]2CCCNC2=O)C1 ZINC001156145516 779883424 /nfs/dbraw/zinc/88/34/24/779883424.db2.gz MOZWHBLCYYXHJP-NEPJUHHUSA-N 2 1 298.387 -1.309 20 0 CAADMP C[N@H+]1CCO[C@H](C(=O)NCCC[NH2+][C@@H]2CCCNC2=O)C1 ZINC001156145516 779883430 /nfs/dbraw/zinc/88/34/30/779883430.db2.gz MOZWHBLCYYXHJP-NEPJUHHUSA-N 2 1 298.387 -1.309 20 0 CAADMP C[N@@H+]1CCO[C@H](C(=O)NCCC[NH2+]CCn2cncn2)C1 ZINC001156125774 779883562 /nfs/dbraw/zinc/88/35/62/779883562.db2.gz PGEPDPDDHJNKKW-LBPRGKRZSA-N 2 1 296.375 -1.295 20 0 CAADMP C[N@H+]1CCO[C@H](C(=O)NCCC[NH2+]CCn2cncn2)C1 ZINC001156125774 779883567 /nfs/dbraw/zinc/88/35/67/779883567.db2.gz PGEPDPDDHJNKKW-LBPRGKRZSA-N 2 1 296.375 -1.295 20 0 CAADMP C[N@@H+]1CCO[C@@H](C(=O)NCCC[NH2+]CCOCCO)C1 ZINC001156126611 779883627 /nfs/dbraw/zinc/88/36/27/779883627.db2.gz ZHBJJPRNDZXPOP-GFCCVEGCSA-N 2 1 289.376 -1.578 20 0 CAADMP C[N@H+]1CCO[C@@H](C(=O)NCCC[NH2+]CCOCCO)C1 ZINC001156126611 779883634 /nfs/dbraw/zinc/88/36/34/779883634.db2.gz ZHBJJPRNDZXPOP-GFCCVEGCSA-N 2 1 289.376 -1.578 20 0 CAADMP CN(C)C(=O)C[NH2+]CCCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001156146436 779883978 /nfs/dbraw/zinc/88/39/78/779883978.db2.gz YSZNIKFDIXFNJE-LLVKDONJSA-N 2 1 286.376 -1.499 20 0 CAADMP CN(C)C(=O)C[NH2+]CCCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001156146436 779883984 /nfs/dbraw/zinc/88/39/84/779883984.db2.gz YSZNIKFDIXFNJE-LLVKDONJSA-N 2 1 286.376 -1.499 20 0 CAADMP CN(C)C(=O)C[NH2+]CCCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001156146438 779884469 /nfs/dbraw/zinc/88/44/69/779884469.db2.gz YSZNIKFDIXFNJE-NSHDSACASA-N 2 1 286.376 -1.499 20 0 CAADMP CN(C)C(=O)C[NH2+]CCCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001156146438 779884475 /nfs/dbraw/zinc/88/44/75/779884475.db2.gz YSZNIKFDIXFNJE-NSHDSACASA-N 2 1 286.376 -1.499 20 0 CAADMP CC[N@H+](CC(N)=O)[C@H](C)CNC(=O)COCC[NH+](C)C ZINC001156390470 779885791 /nfs/dbraw/zinc/88/57/91/779885791.db2.gz NLNBYUHGWUOEPL-LLVKDONJSA-N 2 1 288.392 -1.124 20 0 CAADMP CC[N@@H+](CC(N)=O)[C@H](C)CNC(=O)COCC[NH+](C)C ZINC001156390470 779885794 /nfs/dbraw/zinc/88/57/94/779885794.db2.gz NLNBYUHGWUOEPL-LLVKDONJSA-N 2 1 288.392 -1.124 20 0 CAADMP CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H]1C[N@@H+](C)CCN1C ZINC001157335786 779899667 /nfs/dbraw/zinc/89/96/67/779899667.db2.gz JVOBQPNEPDCGJO-RYUDHWBXSA-N 2 1 299.419 -1.408 20 0 CAADMP CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H]1C[C@@H](N)C[NH2+]1 ZINC001157337914 779900576 /nfs/dbraw/zinc/90/05/76/779900576.db2.gz ZEBIMPVMSVIHLZ-UTLUCORTSA-N 2 1 271.365 -1.965 20 0 CAADMP Cc1cc(N(C(N)=[NH2+])C(=O)[C@@H]2C[NH2+]C[C@@H]2O)n[nH]1 ZINC001157439263 779902550 /nfs/dbraw/zinc/90/25/50/779902550.db2.gz BMXSSVCXRKFUIB-RQJHMYQMSA-N 2 1 252.278 -1.475 20 0 CAADMP Cc1cc(N(C(N)=[NH2+])C(=O)[C@H]2C[NH2+]C[C@H]2O)n[nH]1 ZINC001157439261 779902642 /nfs/dbraw/zinc/90/26/42/779902642.db2.gz BMXSSVCXRKFUIB-NKWVEPMBSA-N 2 1 252.278 -1.475 20 0 CAADMP Cc1cc(N(C(N)=[NH2+])C(=O)[C@H]2C[NH2+]C[C@@H]2O)n[nH]1 ZINC001157439260 779902733 /nfs/dbraw/zinc/90/27/33/779902733.db2.gz BMXSSVCXRKFUIB-BQBZGAKWSA-N 2 1 252.278 -1.475 20 0 CAADMP Cc1cc(N(C(N)=[NH2+])C(=O)[C@@H]2C[NH2+]C[C@H]2O)n[nH]1 ZINC001157439262 779902823 /nfs/dbraw/zinc/90/28/23/779902823.db2.gz BMXSSVCXRKFUIB-RNFRBKRXSA-N 2 1 252.278 -1.475 20 0 CAADMP Cc1cc(N(C(N)=[NH2+])C(=O)[C@]23C[NH2+]C[C@@H]2CCN3)n[nH]1 ZINC001157439381 779903065 /nfs/dbraw/zinc/90/30/65/779903065.db2.gz HQMFOQNMTJWOTB-UFBFGSQYSA-N 2 1 277.332 -1.104 20 0 CAADMP CCOC(=O)CC1([NH3+])CCN(C(=O)[C@@H]([NH3+])CC[NH3+])CC1 ZINC001157449091 779903311 /nfs/dbraw/zinc/90/33/11/779903311.db2.gz REDWQDKCGRTRPU-JTQLQIEISA-N 3 1 286.376 -1.064 20 0 CAADMP Cc1cc(N(C(=N)N)C(=O)[C@@H]([NH3+])CSCC[NH3+])n[nH]1 ZINC001157439273 779903352 /nfs/dbraw/zinc/90/33/52/779903352.db2.gz BWRXQRVHMZBRQJ-ZETCQYMHSA-N 2 1 285.377 -1.036 20 0 CAADMP Cc1cc(N(C(N)=[NH2+])C(=O)[C@H]2COC3(C[NH2+]C3)CN2)n[nH]1 ZINC001157439898 779903480 /nfs/dbraw/zinc/90/34/80/779903480.db2.gz PPXLUJMOEOPBFN-MRVPVSSYSA-N 2 1 293.331 -1.725 20 0 CAADMP C[NH+]1CCN(C(=O)CN(CC[NH3+])S(C)(=O)=O)CC1 ZINC001157450625 779904285 /nfs/dbraw/zinc/90/42/85/779904285.db2.gz DYXFKDOHASFFJC-UHFFFAOYSA-N 2 1 278.378 -2.019 20 0 CAADMP C[NH+]1CCN(C(=O)[C@@H]2COC3(C[NH2+]C3)CN2)CC1 ZINC001157450485 779904619 /nfs/dbraw/zinc/90/46/19/779904619.db2.gz COUKBKYICWDCEH-JTQLQIEISA-N 2 1 254.334 -1.909 20 0 CAADMP O=C(C[NH2+]C1CC[NH2+]CC1)N1CCn2cnnc2C1 ZINC001157507185 779906723 /nfs/dbraw/zinc/90/67/23/779906723.db2.gz FYMPETVACPJVMB-UHFFFAOYSA-N 2 1 264.333 -1.038 20 0 CAADMP CC1([NH3+])CN(C(=O)[C@H](N)CN2CCC([NH3+])CC2)C1 ZINC001157652025 779908849 /nfs/dbraw/zinc/90/88/49/779908849.db2.gz VSEXGKNTTWVIPA-SNVBAGLBSA-N 2 1 255.366 -1.704 20 0 CAADMP [NH3+][C@H]1CN(C(=O)c2nnn3c2C[NH2+]CC3)C[C@H]1F ZINC001157560252 779909711 /nfs/dbraw/zinc/90/97/11/779909711.db2.gz QZELJRWBDVNZQP-RQJHMYQMSA-N 2 1 254.269 -1.498 20 0 CAADMP CN(C[C@H]1C[NH2+]CCO1)C(=O)C[NH2+]C1CC[NH2+]CC1 ZINC001157715311 779910581 /nfs/dbraw/zinc/91/05/81/779910581.db2.gz DMYJWFAXYIZNBM-GFCCVEGCSA-N 3 1 270.377 -1.225 20 0 CAADMP CN(C[C@H]1C[NH2+]CCO1)C(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H](N)C2 ZINC001157715549 779910649 /nfs/dbraw/zinc/91/06/49/779910649.db2.gz GNUNZTBHWCUIJP-UZWSLXQKSA-N 2 1 268.361 -1.345 20 0 CAADMP CN(C[C@@H]1C[NH2+]CCO1)C(=O)[C@H]([NH3+])Cc1c[nH]cn1 ZINC001157715346 779910747 /nfs/dbraw/zinc/91/07/47/779910747.db2.gz DRQUIXLMXZDJRX-WDEREUQCSA-N 2 1 267.333 -1.274 20 0 CAADMP COC(=O)[C@@H]([NH3+])CCC(=O)N(C)C[C@@H]1C[NH2+]CCO1 ZINC001157715561 779910759 /nfs/dbraw/zinc/91/07/59/779910759.db2.gz GRQXSFHHDCNTIK-UWVGGRQHSA-N 2 1 273.333 -1.286 20 0 CAADMP O=C(C[NH2+]C1CC[NH2+]CC1)N1CC[C@@H](CO)[C@H](O)C1 ZINC001157905866 779917487 /nfs/dbraw/zinc/91/74/87/779917487.db2.gz XKCMFJFXYZIEQY-CMPLNLGQSA-N 2 1 271.361 -1.470 20 0 CAADMP [NH3+][C@H](Cc1c[nH]cn1)C(=O)N1CC(=O)NC[C@@]12CC[NH2+]C2 ZINC001158091990 779926055 /nfs/dbraw/zinc/92/60/55/779926055.db2.gz LANIRYISEVHIIY-MFKMUULPSA-N 2 1 292.343 -2.030 20 0 CAADMP [NH3+]Cc1ncc(C(=O)N2CC(=O)NC[C@]23CC[NH2+]C3)s1 ZINC001158102965 779926927 /nfs/dbraw/zinc/92/69/27/779926927.db2.gz ZANHSRJGCQKFOM-GFCCVEGCSA-N 2 1 295.368 -1.094 20 0 CAADMP [NH3+]Cc1ncc(C(=O)N2CC(=O)NC[C@@]23CC[NH2+]C3)s1 ZINC001158102966 779927126 /nfs/dbraw/zinc/92/71/26/779927126.db2.gz ZANHSRJGCQKFOM-LBPRGKRZSA-N 2 1 295.368 -1.094 20 0 CAADMP N[C@H]1C[NH2+][C@H](C(=O)N2CC(=O)NC[C@]23CC[NH2+]C3)C1 ZINC001158100749 779927410 /nfs/dbraw/zinc/92/74/10/779927410.db2.gz BMWWLIGUSZJSRY-VDDIYKPWSA-N 2 1 267.333 -2.634 20 0 CAADMP N[C@H]1C[NH2+][C@H](C(=O)N2CC3(C[NH2+]C3)[C@]3(CCNC3=O)C2)C1 ZINC001158119863 779927804 /nfs/dbraw/zinc/92/78/04/779927804.db2.gz IBVJPODOQOAHMR-ISTVAULSSA-N 2 1 293.371 -2.386 20 0 CAADMP N[C@@H]1C[NH2+][C@H](C(=O)N2CC3(C[NH2+]C3)[C@@]3(CCNC3=O)C2)C1 ZINC001158119862 779927836 /nfs/dbraw/zinc/92/78/36/779927836.db2.gz IBVJPODOQOAHMR-BHDSKKPTSA-N 2 1 293.371 -2.386 20 0 CAADMP [NH3+]CCCNCC(=O)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1 ZINC001158119888 779927868 /nfs/dbraw/zinc/92/78/68/779927868.db2.gz IMIHWUJBUDOXFC-CQSZACIVSA-N 2 1 295.387 -2.137 20 0 CAADMP [NH3+]CC[C@H]([NH3+])C(=O)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1 ZINC001158119438 779928160 /nfs/dbraw/zinc/92/81/60/779928160.db2.gz HAOUEUZSAUVNKP-TVQRCGJNSA-N 3 1 281.360 -2.399 20 0 CAADMP O=C([C@@H]1COCC[NH2+]1)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1 ZINC001158121595 779928589 /nfs/dbraw/zinc/92/85/89/779928589.db2.gz UYZMKZVBLHYYCR-HZMBPMFUSA-N 2 1 294.355 -2.087 20 0 CAADMP N[C@@H]1C[NH2+][C@H](C(=O)N2CC3(C[NH2+]C3)[C@]3(CCNC3=O)C2)C1 ZINC001158119864 779928616 /nfs/dbraw/zinc/92/86/16/779928616.db2.gz IBVJPODOQOAHMR-PKFCDNJMSA-N 2 1 293.371 -2.386 20 0 CAADMP COC(=O)[C@@H]([NH3+])CCC(=O)N1CCO[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001158168306 779929043 /nfs/dbraw/zinc/92/90/43/779929043.db2.gz SVRBUWYRIKFDTN-OUAUKWLOSA-N 2 1 285.344 -1.286 20 0 CAADMP [NH3+]CCCNCC(=O)N1CCO[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001158179072 779930131 /nfs/dbraw/zinc/93/01/31/779930131.db2.gz GRBNGVZJHJZEQN-GHMZBOCLSA-N 2 1 256.350 -1.628 20 0 CAADMP N[C@@H]1C[NH2+][C@H](C(=O)N2CCO[C@@H]3C[NH2+]C[C@@H]3C2)C1 ZINC001158179736 779930700 /nfs/dbraw/zinc/93/07/00/779930700.db2.gz MYXVPTWXNGTBCW-VPOLOUISSA-N 2 1 254.334 -1.878 20 0 CAADMP N[C@@H](CN1CCC([NH3+])CC1)C(=O)N1CC2CC1(C[NH3+])C2 ZINC001158191491 779930732 /nfs/dbraw/zinc/93/07/32/779930732.db2.gz SEKIRZGSRIXIMR-KHJSKFAYSA-N 2 1 281.404 -1.314 20 0 CAADMP N[C@@H](CN1CCC([NH3+])CC1)C(=O)N1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001158215164 779931426 /nfs/dbraw/zinc/93/14/26/779931426.db2.gz JVCTXTWHYIJKRS-RWMBFGLXSA-N 2 1 281.404 -1.300 20 0 CAADMP COC(=O)[C@@]12COC[C@@H]1CN(C(=O)[C@@H]([NH3+])CC[NH3+])C2 ZINC001158235446 779931465 /nfs/dbraw/zinc/93/14/65/779931465.db2.gz KKFMMMBDKYKTDB-AUTRQRHGSA-N 2 1 271.317 -1.690 20 0 CAADMP N[C@H](CN1CCC([NH3+])CC1)C(=O)N1C[C@@H]2CC[NH2+][C@@H]2C1 ZINC001158306941 779932831 /nfs/dbraw/zinc/93/28/31/779932831.db2.gz YBAOBIJIWQSQPI-CYZMBNFOSA-N 2 1 281.404 -1.443 20 0 CAADMP O=C([C@@H]1COC[NH2+]1)N1CC[C@@]23C[NH2+]C[C@@H](C[C@H]2C1)O3 ZINC001158534515 779936441 /nfs/dbraw/zinc/93/64/41/779936441.db2.gz TUEDZQRUFQVSJM-SRRSOLGSSA-N 2 1 267.329 -1.088 20 0 CAADMP CNC(=O)C[NH2+]CCCNC(=O)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001158485942 779936549 /nfs/dbraw/zinc/93/65/49/779936549.db2.gz BYPDSNIFEDXWER-NEPJUHHUSA-N 2 1 298.387 -1.309 20 0 CAADMP O=C(NCCC[NH2+]CCO)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001158505699 779936706 /nfs/dbraw/zinc/93/67/06/779936706.db2.gz FZHGZOXZOGNEFL-VXGBXAGGSA-N 2 1 271.361 -1.062 20 0 CAADMP O=C(NCCC[NH2+]CCO)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001158505693 779936807 /nfs/dbraw/zinc/93/68/07/779936807.db2.gz FZHGZOXZOGNEFL-NEPJUHHUSA-N 2 1 271.361 -1.062 20 0 CAADMP O=C([C@@H]1COCC[NH2+]1)N1CC[C@@]23C[NH2+]C[C@@H](C[C@H]2C1)O3 ZINC001158547443 779936936 /nfs/dbraw/zinc/93/69/36/779936936.db2.gz PAFXOKXOURRYOC-KZVDOYCCSA-N 2 1 281.356 -1.046 20 0 CAADMP O=C(NCCC[NH2+]CCO)[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001158505698 779936995 /nfs/dbraw/zinc/93/69/95/779936995.db2.gz FZHGZOXZOGNEFL-RYUDHWBXSA-N 2 1 271.361 -1.062 20 0 CAADMP NC(=O)C[NH2+]CCCNC(=O)[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001158487009 779937005 /nfs/dbraw/zinc/93/70/05/779937005.db2.gz UYGNSHLCBTXQBE-WDEREUQCSA-N 2 1 284.360 -1.569 20 0 CAADMP CNC(=O)C[NH2+]CCCNC(=O)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001158485947 779937009 /nfs/dbraw/zinc/93/70/09/779937009.db2.gz BYPDSNIFEDXWER-VXGBXAGGSA-N 2 1 298.387 -1.309 20 0 CAADMP C[C@@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)[C@H]1COC2(C[NH2+]C2)CN1 ZINC001158626419 779938134 /nfs/dbraw/zinc/93/81/34/779938134.db2.gz OBHMOXTWRHSAQE-QJPTWQEYSA-N 2 1 282.388 -1.132 20 0 CAADMP COCC[NH+]1CCN(C(=O)[C@@H]2C[NH2+]C[C@@H]2O)CC1 ZINC001158604934 779938267 /nfs/dbraw/zinc/93/82/67/779938267.db2.gz UBGBTHKLELLATA-MNOVXSKESA-N 2 1 257.334 -1.643 20 0 CAADMP CNC(=O)C[NH+]1CCC(NC(=O)[C@H](C)C[NH3+])CC1 ZINC000054338890 779941504 /nfs/dbraw/zinc/94/15/04/779941504.db2.gz CCPWAWQFQKUECX-SECBINFHSA-N 2 1 256.350 -1.092 20 0 CAADMP CN(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCN2C(=O)[C@@]1(N)CC[NH2+]C1 ZINC001159930046 779952366 /nfs/dbraw/zinc/95/23/66/779952366.db2.gz PPAGAEAUQITVRG-GZBFAFLISA-N 2 1 295.431 -1.086 20 0 CAADMP CN(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCN2C(=O)[C@@]1(N)CC[NH2+]C1 ZINC001159930046 779952370 /nfs/dbraw/zinc/95/23/70/779952370.db2.gz PPAGAEAUQITVRG-GZBFAFLISA-N 2 1 295.431 -1.086 20 0 CAADMP CN1C[C@@H]2CN(C(=O)C[NH2+]C3CC[NH2+]CC3)C[C@@H]2C1=O ZINC001159886552 779953277 /nfs/dbraw/zinc/95/32/77/779953277.db2.gz OBDVBGZDIAMRFI-PWSUYJOCSA-N 2 1 280.372 -1.125 20 0 CAADMP CN(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCN2C(=O)[C@@H]1C[NH2+]C[C@H]1O ZINC001159930801 779953383 /nfs/dbraw/zinc/95/33/83/779953383.db2.gz XRKACXXDYSGSNY-XJFOESAGSA-N 2 1 296.415 -1.197 20 0 CAADMP CN(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCN2C(=O)[C@@H]1C[NH2+]C[C@H]1O ZINC001159930801 779953386 /nfs/dbraw/zinc/95/33/86/779953386.db2.gz XRKACXXDYSGSNY-XJFOESAGSA-N 2 1 296.415 -1.197 20 0 CAADMP CC(=O)N1CC(=O)NC[C@]12CCN(C(=O)[C@@H]([NH3+])CC[NH3+])C2 ZINC001160171725 779956447 /nfs/dbraw/zinc/95/64/47/779956447.db2.gz QLPIAGYXMBGBLO-GWCFXTLKSA-N 2 1 297.359 -2.388 20 0 CAADMP CC(=O)N1CCC[C@@]2(C1)CN(C(=O)[C@@H]([NH3+])CC[NH3+])CCO2 ZINC001160177969 779956499 /nfs/dbraw/zinc/95/64/99/779956499.db2.gz DCDKFILIOFWQHG-GXTWGEPZSA-N 2 1 298.387 -1.098 20 0 CAADMP N[C@@H](CC[NH3+])C(=O)N1C[C@@H]2C[N@H+](CC3CC3)C[C@H](C1)O2 ZINC001160156991 779956522 /nfs/dbraw/zinc/95/65/22/779956522.db2.gz RXTWYMCEBNLICM-XQQFMLRXSA-N 2 1 282.388 -1.016 20 0 CAADMP N[C@H](CN1CCC([NH3+])CC1)C(=O)N1CCC([NH3+])CC1 ZINC001160515485 779963869 /nfs/dbraw/zinc/96/38/69/779963869.db2.gz JPNIKTJVVJYRMT-GFCCVEGCSA-N 2 1 269.393 -1.314 20 0 CAADMP COC(=O)CN1CCN(C(=O)C[NH2+]C2CC[NH2+]CC2)CC1 ZINC001160531200 779965621 /nfs/dbraw/zinc/96/56/21/779965621.db2.gz KJHRGYCEVUVQDG-UHFFFAOYSA-N 2 1 298.387 -1.355 20 0 CAADMP CCOC(=O)[C@H]1CN(C(=O)[C@@H]([NH3+])CC[NH3+])CCO1 ZINC001160596455 779968225 /nfs/dbraw/zinc/96/82/25/779968225.db2.gz PHONDGJQVJGXHQ-DTWKUNHWSA-N 2 1 259.306 -1.547 20 0 CAADMP O=C(C[NH2+]C1CC[NH2+]CC1)N1CCN2C(=O)OC[C@H]2C1 ZINC001160640746 779972298 /nfs/dbraw/zinc/97/22/98/779972298.db2.gz NXLCUWKXIPBPJK-LLVKDONJSA-N 2 1 282.344 -1.009 20 0 CAADMP COC(=O)[C@@H]([NH3+])CCC(=O)N1CCO[C@@H](C[NH3+])C1 ZINC001160644075 779972587 /nfs/dbraw/zinc/97/25/87/779972587.db2.gz RQZLXUBYPQJIIJ-IUCAKERBSA-N 2 1 259.306 -1.547 20 0 CAADMP [NH3+]CC[C@H]([NH3+])C(=O)N1CCc2[nH]c(=O)[nH]c(=O)c2C1 ZINC001160640862 779972709 /nfs/dbraw/zinc/97/27/09/779972709.db2.gz SIPGENQBMHDGBX-ZETCQYMHSA-N 2 1 267.289 -1.551 20 0 CAADMP N[C@H](CN1CCC([NH3+])CC1)C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC001160646429 779973540 /nfs/dbraw/zinc/97/35/40/779973540.db2.gz ZAEOWXZCOKENMM-NWDGAFQWSA-N 2 1 285.392 -2.077 20 0 CAADMP [NH3+][C@@H](Cc1c[nH]cn1)C(=O)N1CC[C@@H]([NH3+])[C@H](O)C1 ZINC001160652404 779973798 /nfs/dbraw/zinc/97/37/98/779973798.db2.gz DGMFYSLTSMUBHF-KXUCPTDWSA-N 2 1 253.306 -1.800 20 0 CAADMP CS(=O)(=O)NC1CN(C(=O)C[NH2+]C2CC[NH2+]CC2)C1 ZINC001160657880 779974962 /nfs/dbraw/zinc/97/49/62/779974962.db2.gz NKUFXDGSZGGOMU-UHFFFAOYSA-N 2 1 290.389 -1.912 20 0 CAADMP N[C@H](CN1CCC([NH3+])CC1)C(=O)N1CC[C@@H]([NH3+])[C@H](O)C1 ZINC001160656538 779975557 /nfs/dbraw/zinc/97/55/57/779975557.db2.gz YMXYWFCQAQFDSQ-IJLUTSLNSA-N 2 1 285.392 -2.343 20 0 CAADMP [NH3+]CC[C@H]([NH3+])C(=O)N1CCC(OCC(=O)NC2CC2)CC1 ZINC001160742458 779979739 /nfs/dbraw/zinc/97/97/39/779979739.db2.gz NXAFCXLAFCOYEH-LBPRGKRZSA-N 2 1 298.387 -1.051 20 0 CAADMP [NH3+]CC[C@H]([NH3+])C(=O)N1CCC2(CC1)CNC(=O)CO2 ZINC001160771816 779979775 /nfs/dbraw/zinc/97/97/75/779979775.db2.gz HFZIFLANQZVHLN-VIFPVBQESA-N 2 1 270.333 -1.830 20 0 CAADMP CCOC(=O)[C@]12CN(C(=O)[C@@H]([NH3+])CC[NH3+])C[C@H]1C[NH2+]CC2 ZINC001160811959 779982290 /nfs/dbraw/zinc/98/22/90/779982290.db2.gz BLGDFHHIVZSBIR-UHIISALHSA-N 3 1 298.387 -1.336 20 0 CAADMP Nc1ccc[nH+]c1N1CCN(C(=O)[C@H]2C[NH2+]C[C@H]2O)CC1 ZINC001160826125 779982598 /nfs/dbraw/zinc/98/25/98/779982598.db2.gz SBQPSIBULMRVRK-CMPLNLGQSA-N 2 1 291.355 -1.107 20 0 CAADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCCC[NH2+]CC(N)=O)O1 ZINC001160861943 779983478 /nfs/dbraw/zinc/98/34/78/779983478.db2.gz CAEHEINUHCGYRC-NXEZZACHSA-N 2 1 272.349 -1.713 20 0 CAADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCCC[NH2+]CC(N)=O)O1 ZINC001160861943 779983483 /nfs/dbraw/zinc/98/34/83/779983483.db2.gz CAEHEINUHCGYRC-NXEZZACHSA-N 2 1 272.349 -1.713 20 0 CAADMP C[C@H]([NH2+]CCCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)C(N)=O ZINC001160851425 779984027 /nfs/dbraw/zinc/98/40/27/779984027.db2.gz YXAHAVPRGOKECE-OUAUKWLOSA-N 2 1 286.376 -1.325 20 0 CAADMP C[C@H]([NH2+]CCCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)C(N)=O ZINC001160851425 779984031 /nfs/dbraw/zinc/98/40/31/779984031.db2.gz YXAHAVPRGOKECE-OUAUKWLOSA-N 2 1 286.376 -1.325 20 0 CAADMP C[NH+](C)C[C@@H]1COCCN1C(=O)[C@@H]1COCC[NH2+]1 ZINC001160837600 779984054 /nfs/dbraw/zinc/98/40/54/779984054.db2.gz CDGGXHYIAMKLMB-MNOVXSKESA-N 2 1 257.334 -1.236 20 0 CAADMP COC(=O)[C@@H]1CN(C(=O)C[NH2+]C2CC[NH2+]CC2)CCN1C ZINC001160870414 779984237 /nfs/dbraw/zinc/98/42/37/779984237.db2.gz FIYJEJIRGFIHSC-LBPRGKRZSA-N 2 1 298.387 -1.356 20 0 CAADMP COC(=O)[C@H]1CN(C(=O)C[NH2+]C2CC[NH2+]CC2)CCN1C ZINC001160870409 779984281 /nfs/dbraw/zinc/98/42/81/779984281.db2.gz FIYJEJIRGFIHSC-GFCCVEGCSA-N 2 1 298.387 -1.356 20 0 CAADMP O=C([C@@H]1COC[NH2+]1)N1CC(O)([C@H]2CCCC[NH2+]2)C1 ZINC001160999819 779989267 /nfs/dbraw/zinc/98/92/67/779989267.db2.gz LKJIAALQXSOKMI-VHSXEESVSA-N 2 1 255.318 -1.352 20 0 CAADMP C[C@@H]1CN(C(=O)c2nnn3c2C[NH2+]CC3)CC[NH2+]1 ZINC001161023474 779991248 /nfs/dbraw/zinc/99/12/48/779991248.db2.gz MSPPSXJVNKGJPI-MRVPVSSYSA-N 2 1 250.306 -1.185 20 0 CAADMP [NH3+]Cc1cc(NCCN2CC[NH2+]CC2=O)ncn1 ZINC001161019643 779991618 /nfs/dbraw/zinc/99/16/18/779991618.db2.gz RJUYWWNELZQFJV-UHFFFAOYSA-N 2 1 250.306 -1.221 20 0 CAADMP C[N@H+]1CCC[C@@H]2CN(C(=O)[C@H]3COC4(C[NH2+]C4)CN3)C[C@H]21 ZINC001161082877 779992343 /nfs/dbraw/zinc/99/23/43/779992343.db2.gz PZAWAHNVAVTDIN-JHJVBQTASA-N 2 1 294.399 -1.131 20 0 CAADMP C[N@H+]1CCC[C@@H]2CN(C(=O)[C@@H]3COC4(C[NH2+]C4)CN3)C[C@H]21 ZINC001161082876 779993200 /nfs/dbraw/zinc/99/32/00/779993200.db2.gz PZAWAHNVAVTDIN-FRRDWIJNSA-N 2 1 294.399 -1.131 20 0 CAADMP O=C(C[NH2+]C1CC[NH2+]CC1)N1C[C@@H]2C[C@H]1C(=O)O2 ZINC001161083757 779994053 /nfs/dbraw/zinc/99/40/53/779994053.db2.gz BVRWCHMZJHGJLT-UWVGGRQHSA-N 2 1 253.302 -1.146 20 0 CAADMP CCOC(=O)[C@@H]1COCCN1C(=O)[C@@H]([NH3+])CC[NH3+] ZINC001161092952 779994542 /nfs/dbraw/zinc/99/45/42/779994542.db2.gz GOHMTGSRTGLFRE-IUCAKERBSA-N 2 1 259.306 -1.547 20 0 CAADMP CN(CCO)C(=O)[C@@H]1C[N@@H+](C)CC2(CC[NH2+]CC2)O1 ZINC001161107168 779997771 /nfs/dbraw/zinc/99/77/71/779997771.db2.gz BBHBEEJNFHPPOD-NSHDSACASA-N 2 1 271.361 -1.110 20 0 CAADMP CCOC(=O)CN(CCC[NH3+])C(=O)CNCCC[NH3+] ZINC001161158251 780000614 /nfs/dbraw/zinc/00/06/14/780000614.db2.gz SCKNBPMIFNWJDS-UHFFFAOYSA-N 2 1 274.365 -1.335 20 0 CAADMP COC(=O)[C@@H]1CN(C)CCN1C(=O)[C@@H]([NH3+])CC[NH3+] ZINC001161237250 780003984 /nfs/dbraw/zinc/00/39/84/780003984.db2.gz JWXVEFPXIDNZMY-IUCAKERBSA-N 2 1 258.322 -2.022 20 0 CAADMP COC(=O)[C@H]1CN(C)CCN1C(=O)[C@@H]([NH3+])CC[NH3+] ZINC001161237249 780004396 /nfs/dbraw/zinc/00/43/96/780004396.db2.gz JWXVEFPXIDNZMY-DTWKUNHWSA-N 2 1 258.322 -2.022 20 0 CAADMP COC(=O)[C@@H]1CN(C)CCN1C(=O)C[NH2+]C1CC[NH2+]CC1 ZINC001161237495 780004453 /nfs/dbraw/zinc/00/44/53/780004453.db2.gz KVEGCMHHFFVMEQ-LBPRGKRZSA-N 2 1 298.387 -1.356 20 0 CAADMP N[C@@H](C[NH3+])C(=O)N1CC[C@H]([NH+]2CCC([NH3+])CC2)C1 ZINC001161376792 780008060 /nfs/dbraw/zinc/00/80/60/780008060.db2.gz DFXGCEFPSUARCH-QWRGUYRKSA-N 3 1 255.366 -1.704 20 0 CAADMP N[C@@H](CC[NH3+])C(=O)N1CC[C@@H]([NH+]2CCC([NH3+])CC2)C1 ZINC001161377589 780008764 /nfs/dbraw/zinc/00/87/64/780008764.db2.gz IAWXOTLCXPEBNP-NEPJUHHUSA-N 3 1 269.393 -1.314 20 0 CAADMP [NH3+]CCNCC(=O)N1CC[C@@H]([NH+]2CCC([NH3+])CC2)C1 ZINC001161378259 780009370 /nfs/dbraw/zinc/00/93/70/780009370.db2.gz LHLRZHVUIKTJSA-GFCCVEGCSA-N 3 1 269.393 -1.441 20 0 CAADMP [NH3+]CCSC[C@H]([NH3+])C(=O)N1CC[N@H+]2CC[C@@H]2C1 ZINC001161423502 780009494 /nfs/dbraw/zinc/00/94/94/780009494.db2.gz CCBRSHZSCCZBOJ-ZJUUUORDSA-N 3 1 258.391 -1.078 20 0 CAADMP [NH3+]CCSC[C@H]([NH3+])C(=O)N1CCN2CC[C@@H]2C1 ZINC001161423502 780009502 /nfs/dbraw/zinc/00/95/02/780009502.db2.gz CCBRSHZSCCZBOJ-ZJUUUORDSA-N 2 1 258.391 -1.078 20 0 CAADMP [NH3+]C1CC[NH+]([C@@H]2CCN(C(=O)[C@@H]3C[NH2+]C[C@H]3O)C2)CC1 ZINC001161381782 780009544 /nfs/dbraw/zinc/00/95/44/780009544.db2.gz ZKZUYPXVHTVFKL-JHJVBQTASA-N 3 1 282.388 -1.409 20 0 CAADMP [NH3+]C1CC[NH+]([C@@H]2CCN(C(=O)CN3CC[NH2+]CC3)C2)CC1 ZINC001161377976 780009987 /nfs/dbraw/zinc/00/99/87/780009987.db2.gz JXEOOQHMRDUPQS-CQSZACIVSA-N 3 1 295.431 -1.084 20 0 CAADMP N[C@]1(C(=O)N2CC[C@H]([NH+]3CCC([NH3+])CC3)C2)CC[NH2+]C1 ZINC001161380854 780010208 /nfs/dbraw/zinc/01/02/08/780010208.db2.gz WECMPQYPNBLDRV-GXTWGEPZSA-N 3 1 281.404 -1.299 20 0 CAADMP [NH3+]C[C@@H](O)CC(=O)N1CC[C@H]([NH+]2CCC([NH3+])CC2)C1 ZINC001161381273 780010226 /nfs/dbraw/zinc/01/02/26/780010226.db2.gz WZVIPNYGLRJCFA-RYUDHWBXSA-N 3 1 270.377 -1.280 20 0 CAADMP N[C@]1(C(=O)N2CC[C@@H]([NH+]3CCC([NH3+])CC3)C2)CC[NH2+]C1 ZINC001161380857 780010282 /nfs/dbraw/zinc/01/02/82/780010282.db2.gz WECMPQYPNBLDRV-TZMCWYRMSA-N 3 1 281.404 -1.299 20 0 CAADMP [NH3+]C1CC[NH+]([C@@H]2CCN(C(=O)[C@@H]3C[NH2+]CCN3)C2)CC1 ZINC001161378272 780010371 /nfs/dbraw/zinc/01/03/71/780010371.db2.gz LMSWUYHQBNCMAH-OLZOCXBDSA-N 3 1 281.404 -1.428 20 0 CAADMP [NH3+]C1CC[NH+]([C@H]2CCN(C(=O)[C@@H]3COCCN3)C2)CC1 ZINC001161380341 780010591 /nfs/dbraw/zinc/01/05/91/780010591.db2.gz USPOXUVTAPRCCS-STQMWFEESA-N 2 1 282.388 -1.001 20 0 CAADMP [NH3+]C1CCN([C@H]2CCN(C(=O)[C@@H]3COCC[NH2+]3)C2)CC1 ZINC001161380341 780010594 /nfs/dbraw/zinc/01/05/94/780010594.db2.gz USPOXUVTAPRCCS-STQMWFEESA-N 2 1 282.388 -1.001 20 0 CAADMP N[C@H]1C[NH2+]C[C@@H]1C(=O)N1CC[C@H]([NH+]2CCC([NH3+])CC2)C1 ZINC001161379425 780010637 /nfs/dbraw/zinc/01/06/37/780010637.db2.gz PAEIZWDNUHROKB-AVGNSLFASA-N 3 1 281.404 -1.443 20 0 CAADMP [NH3+]CCNCC(=O)N1CC[C@H]([NH+]2CCC([NH3+])CC2)C1 ZINC001161378260 780010870 /nfs/dbraw/zinc/01/08/70/780010870.db2.gz LHLRZHVUIKTJSA-LBPRGKRZSA-N 3 1 269.393 -1.441 20 0 CAADMP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N1CC[N@H+]2CC[C@@H]2C1 ZINC001161423547 780011563 /nfs/dbraw/zinc/01/15/63/780011563.db2.gz FJDJOFOAAPBTGM-AEJSXWLSSA-N 2 1 297.359 -2.390 20 0 CAADMP O=C([C@H]1COC2(C[NH2+]C2)CN1)N1CC[N@H+]2CC[C@@H]2C1 ZINC001161422108 780011691 /nfs/dbraw/zinc/01/16/91/780011691.db2.gz ZYSBFHDDBCFGDL-GHMZBOCLSA-N 2 1 266.345 -1.767 20 0 CAADMP N[C@@H](CN1CCC([NH3+])CC1)C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC001161413007 780012024 /nfs/dbraw/zinc/01/20/24/780012024.db2.gz NJKAYYCMQNOXOJ-PYJNHQTQSA-N 2 1 295.431 -1.068 20 0 CAADMP N[C@@H](CN1CCC([NH3+])CC1)C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC001161413002 780012052 /nfs/dbraw/zinc/01/20/52/780012052.db2.gz NJKAYYCMQNOXOJ-ASEORRQLSA-N 2 1 295.431 -1.068 20 0 CAADMP O=C([C@@H]1C[C@H]2C[NH2+]C[C@H]2N1)N1CC[N@H+]2CC[C@@H]2C1 ZINC001161420601 780012346 /nfs/dbraw/zinc/01/23/46/780012346.db2.gz ILSRGTVQWZUMFI-WHOHXGKFSA-N 2 1 250.346 -1.147 20 0 CAADMP [NH3+]CC(=O)N1CCC[C@H]1C(=O)N1CC[N@H+]2CC[C@@H]2C1 ZINC001161424110 780013306 /nfs/dbraw/zinc/01/33/06/780013306.db2.gz YZPXEFIPQIQLKU-MNOVXSKESA-N 2 1 266.345 -1.147 20 0 CAADMP CS(=O)(=O)N(CC[NH3+])CC(=O)N1CC[N@H+]2CC[C@H]2C1 ZINC001161423691 780013380 /nfs/dbraw/zinc/01/33/80/780013380.db2.gz KDFHQXXUKWUZMZ-JTQLQIEISA-N 2 1 290.389 -1.877 20 0 CAADMP C[NH+](C)CCN(C(=O)[C@@H]([NH3+])CC[NH3+])[C@H]1CCC[NH2+]C1 ZINC001161447688 780013424 /nfs/dbraw/zinc/01/34/24/780013424.db2.gz YKPPCXBJMGQHGH-RYUDHWBXSA-N 4 1 271.409 -1.195 20 0 CAADMP COC(=O)[C@]12CC[NH2+][C@@H]1CN(C(=O)[C@@H]1COC[NH2+]1)CC2 ZINC001161480190 780015063 /nfs/dbraw/zinc/01/50/63/780015063.db2.gz TYNPDWXZGLYCHL-CWSCBRNRSA-N 2 1 283.328 -1.314 20 0 CAADMP COC(=O)[C@@]12CC[NH2+][C@@H]1CN(C(=O)[C@@H]1COC[NH2+]1)CC2 ZINC001161480434 780015126 /nfs/dbraw/zinc/01/51/26/780015126.db2.gz TYNPDWXZGLYCHL-OPQQBVKSSA-N 2 1 283.328 -1.314 20 0 CAADMP COC(=O)[C@]12CC[NH2+][C@H]1CN(C(=O)[C@@H]1COCC[NH2+]1)CC2 ZINC001161476906 780015549 /nfs/dbraw/zinc/01/55/49/780015549.db2.gz CNEQROHYOGUKEL-MJVIPROJSA-N 2 1 297.355 -1.272 20 0 CAADMP COC(=O)[C@]12CC[NH2+][C@H]1CN(C(=O)[C@@H]1COC[NH2+]1)CC2 ZINC001161480191 780015628 /nfs/dbraw/zinc/01/56/28/780015628.db2.gz TYNPDWXZGLYCHL-KWBADKCTSA-N 2 1 283.328 -1.314 20 0 CAADMP COC(=O)[C@@]12CC[NH2+][C@@H]1CN(C(=O)CNCCC[NH3+])CC2 ZINC001161476594 780015965 /nfs/dbraw/zinc/01/59/65/780015965.db2.gz BIVPLVOIMCEFJT-BXUZGUMPSA-N 2 1 298.387 -1.322 20 0 CAADMP C[N@@H+](C1CN(C(=O)[C@H]([NH3+])CCC[NH3+])C1)[C@H]1CCOC1 ZINC001161497835 780016466 /nfs/dbraw/zinc/01/64/66/780016466.db2.gz GJYDFDHMLNZOEU-CMPLNLGQSA-N 3 1 270.377 -1.016 20 0 CAADMP CN(C1CN(C(=O)[C@H]([NH3+])CCC[NH3+])C1)[C@H]1CCOC1 ZINC001161497835 780016473 /nfs/dbraw/zinc/01/64/73/780016473.db2.gz GJYDFDHMLNZOEU-CMPLNLGQSA-N 2 1 270.377 -1.016 20 0 CAADMP CO[C@@H]1CN(C(=O)[C@@H]([NH3+])Cc2c[nH]cn2)C[C@@H]1[NH3+] ZINC001161491848 780017305 /nfs/dbraw/zinc/01/73/05/780017305.db2.gz JAYLOUCPYBTXSP-LPEHRKFASA-N 2 1 253.306 -1.536 20 0 CAADMP C[N@@H+](C1CN(C(=O)[C@@H]([NH3+])CCC[NH3+])C1)[C@H]1CCOC1 ZINC001161497836 780017459 /nfs/dbraw/zinc/01/74/59/780017459.db2.gz GJYDFDHMLNZOEU-JQWIXIFHSA-N 3 1 270.377 -1.016 20 0 CAADMP CN(C1CN(C(=O)[C@@H]([NH3+])CCC[NH3+])C1)[C@H]1CCOC1 ZINC001161497836 780017466 /nfs/dbraw/zinc/01/74/66/780017466.db2.gz GJYDFDHMLNZOEU-JQWIXIFHSA-N 2 1 270.377 -1.016 20 0 CAADMP C[N@@H+](C1CN(C(=O)C2(N)CC[NH2+]CC2)C1)[C@H]1CCOC1 ZINC001161498482 780017901 /nfs/dbraw/zinc/01/79/01/780017901.db2.gz JLTGNAXMDNOWAH-NSHDSACASA-N 2 1 282.388 -1.001 20 0 CAADMP N[C@@H]1C[C@]2(C(=O)N3C[C@H]([NH3+])C4(COC4)C3)CC[C@H]1[NH2+]2 ZINC001161507768 780018084 /nfs/dbraw/zinc/01/80/84/780018084.db2.gz AHEKXPPODNMDFQ-DNJQJEMRSA-N 2 1 266.345 -1.606 20 0 CAADMP C[N@@H+](C1CN(C(=O)[C@H]2[NH2+]CC[C@H]2O)C1)[C@H]1CCOC1 ZINC001161498864 780018609 /nfs/dbraw/zinc/01/86/09/780018609.db2.gz HXZDLQVTMYUBBT-WCQGTBRESA-N 2 1 269.345 -1.359 20 0 CAADMP N[C@H](CN1CCC([NH3+])CC1)C(=O)N1C[C@H]([NH3+])C2(COC2)C1 ZINC001161508937 780019078 /nfs/dbraw/zinc/01/90/78/780019078.db2.gz HBUXTBGRKBDDME-NEPJUHHUSA-N 2 1 297.403 -2.077 20 0 CAADMP [NH3+][C@@H]1CN(C(=O)C[NH2+]C2CC[NH2+]CC2)CC12COC2 ZINC001161509360 780019500 /nfs/dbraw/zinc/01/95/00/780019500.db2.gz JGTYVDKCQYEVAO-LLVKDONJSA-N 3 1 268.361 -1.486 20 0 CAADMP COC(=O)[C@@H]([NH3+])CCC(=O)N1C[C@@H]([NH3+])C2(COC2)C1 ZINC001161500191 780020142 /nfs/dbraw/zinc/02/01/42/780020142.db2.gz KLYLYZKWPOWDSZ-DTWKUNHWSA-N 2 1 271.317 -1.547 20 0 CAADMP CN1CC2(C1)CN(C(=O)[C@]13C[NH2+]C[C@H]1C[NH2+]CC3)C2 ZINC001161532410 780020433 /nfs/dbraw/zinc/02/04/33/780020433.db2.gz SCUXQGBTRQIIKK-BXUZGUMPSA-N 2 1 264.373 -1.041 20 0 CAADMP C[C@@H]1C[C@H]([NH3+])CN1C(=O)[C@H](N)CN1CCC([NH3+])CC1 ZINC001161530387 780020791 /nfs/dbraw/zinc/02/07/91/780020791.db2.gz YCHWHULTXLTZND-ADEWGFFLSA-N 2 1 269.393 -1.315 20 0 CAADMP C[C@@H]1C[C@H]([NH3+])CN1C(=O)[C@@H](N)CN1CCC([NH3+])CC1 ZINC001161530388 780021977 /nfs/dbraw/zinc/02/19/77/780021977.db2.gz YCHWHULTXLTZND-USWWRNFRSA-N 2 1 269.393 -1.315 20 0 CAADMP C[NH+](C)Cc1cc(C(=O)NCCC[NH2+]CC(N)=O)no1 ZINC001161552691 780022402 /nfs/dbraw/zinc/02/24/02/780022402.db2.gz SIXYCNDXWTWJIF-UHFFFAOYSA-N 2 1 283.332 -1.069 20 0 CAADMP COC(=O)CC[C@H]1COCCN1C(=O)[C@@H]([NH3+])CC[NH3+] ZINC001161567048 780022878 /nfs/dbraw/zinc/02/28/78/780022878.db2.gz VEAIETHAZAYQBK-UWVGGRQHSA-N 2 1 273.333 -1.157 20 0 CAADMP [NH3+][C@@H]1NCN(c2ncnc3c2CC[NH2+]CC3)[C@H]2NCN[C@H]21 ZINC001162436649 780034777 /nfs/dbraw/zinc/03/47/77/780034777.db2.gz OMHHTCQIVDOOHW-DMDPSCGWSA-N 2 1 290.375 -2.338 20 0 CAADMP [NH3+][C@@H]1NCN(c2ncnc3c2CC[NH2+]C3)[C@H]2NCN[C@@H]21 ZINC001162437783 780036781 /nfs/dbraw/zinc/03/67/81/780036781.db2.gz VPDTYCHVGOJJSA-CKYFFXLPSA-N 2 1 276.348 -2.381 20 0 CAADMP [NH3+][C@@H]1NCN(c2ncc3c(n2)CC[NH2+]C3)[C@@H]2NCN[C@H]21 ZINC001162437565 780037093 /nfs/dbraw/zinc/03/70/93/780037093.db2.gz VEJVESQUSFNLSD-AXFHLTTASA-N 2 1 276.348 -2.381 20 0 CAADMP [NH3+][C@@H]1NCN(c2ncc3c(n2)CC[NH2+]C3)[C@H]2NCN[C@@H]21 ZINC001162437566 780037851 /nfs/dbraw/zinc/03/78/51/780037851.db2.gz VEJVESQUSFNLSD-GMTAPVOTSA-N 2 1 276.348 -2.381 20 0 CAADMP [NH3+]Cc1cc(N2CN[C@H]([NH3+])[C@H]3NCN[C@H]32)ncn1 ZINC001162440755 780044669 /nfs/dbraw/zinc/04/46/69/780044669.db2.gz UWSOETABPFWWJN-UTLUCORTSA-N 2 1 250.310 -2.568 20 0 CAADMP C[NH+](C)Cc1ccnc(N2CN[C@H]([NH3+])[C@H]3NCN[C@H]32)c1 ZINC001162442518 780045970 /nfs/dbraw/zinc/04/59/70/780045970.db2.gz BWWKDIZDPGHWRX-AGIUHOORSA-N 2 1 277.376 -1.360 20 0 CAADMP Cc1cnc(N2CN[C@H]([NH3+])[C@H]3NCN[C@@H]32)c(C[NH3+])c1 ZINC001162445014 780048843 /nfs/dbraw/zinc/04/88/43/780048843.db2.gz DMDKCYHIUMRBRG-JFGNBEQYSA-N 2 1 263.349 -1.654 20 0 CAADMP Cc1c[nH+]cn1CC(=O)NCCC[NH2+]CC(N)=O ZINC001162605388 780052898 /nfs/dbraw/zinc/05/28/98/780052898.db2.gz AYJOYWXWFWRSDK-UHFFFAOYSA-N 2 1 253.306 -1.227 20 0 CAADMP NC(=O)C[NH2+]CCCNC(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001162872372 780053494 /nfs/dbraw/zinc/05/34/94/780053494.db2.gz PWYNHSLWPJRIEG-IQLKVPPVSA-N 2 1 296.371 -1.569 20 0 CAADMP OC[C@H](O)CNc1nc(N2CC[NH2+]CC2)cc[nH+]1 ZINC001163347813 780057926 /nfs/dbraw/zinc/05/79/26/780057926.db2.gz HIWDKXFVGCXZPH-SECBINFHSA-N 2 1 253.306 -1.349 20 0 CAADMP C[N@@H+]1CCO[C@@H](C(=O)NCCC2(C[NH2+]CC(N)=O)CC2)C1 ZINC001163939531 780066003 /nfs/dbraw/zinc/06/60/03/780066003.db2.gz CAMCGQUMLZSHQF-LLVKDONJSA-N 2 1 298.387 -1.322 20 0 CAADMP C[N@H+]1CCO[C@@H](C(=O)NCCC2(C[NH2+]CC(N)=O)CC2)C1 ZINC001163939531 780066015 /nfs/dbraw/zinc/06/60/15/780066015.db2.gz CAMCGQUMLZSHQF-LLVKDONJSA-N 2 1 298.387 -1.322 20 0 CAADMP CN(c1cc2c(nn1)C[NH2+]C2)S(=O)(=O)CC[NH3+] ZINC001164286825 780071253 /nfs/dbraw/zinc/07/12/53/780071253.db2.gz BCCCQSWHCDPIBN-UHFFFAOYSA-N 2 1 257.319 -1.196 20 0 CAADMP CC(C)[N@H+]1CCO[C@@H](C(=O)NCCC[NH2+]CC(N)=O)C1 ZINC001164538370 780074468 /nfs/dbraw/zinc/07/44/68/780074468.db2.gz FRVDCRJZPHNUDO-LLVKDONJSA-N 2 1 286.376 -1.323 20 0 CAADMP C[NH+]1CCN(c2nccc(N3C[C@@H](O)[C@@H]([NH3+])C3)n2)CC1 ZINC001165147800 780075853 /nfs/dbraw/zinc/07/58/53/780075853.db2.gz JZMWTIVAPPOVLR-WDEREUQCSA-N 2 1 278.360 -1.263 20 0 CAADMP C[NH+]1CCN(c2nccc(N3C[C@@H]([NH3+])[C@H](O)C3)n2)CC1 ZINC001165147793 780075945 /nfs/dbraw/zinc/07/59/45/780075945.db2.gz JZMWTIVAPPOVLR-GHMZBOCLSA-N 2 1 278.360 -1.263 20 0 CAADMP O=C1NCCN(c2ncnc3c2C[NH2+]C3)C12C[NH2+]C2 ZINC001165298885 780078467 /nfs/dbraw/zinc/07/84/67/780078467.db2.gz XQNFINOZHGMVLQ-UHFFFAOYSA-N 2 1 260.301 -1.642 20 0 CAADMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCCC[NH2+]CC(N)=O ZINC001166707740 780092526 /nfs/dbraw/zinc/09/25/26/780092526.db2.gz ISGBPCDALUJREM-VHSXEESVSA-N 2 1 256.350 -1.235 20 0 CAADMP C[C@H]1CC[N@@H+](CC(=O)NCCC[NH2+]CC(N)=O)C1 ZINC001166667657 780092403 /nfs/dbraw/zinc/09/24/03/780092403.db2.gz GJAKLKDUXQSHNJ-JTQLQIEISA-N 2 1 256.350 -1.091 20 0 CAADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCCC[NH2+]CC(=O)NC(N)=O ZINC001166694937 780092553 /nfs/dbraw/zinc/09/25/53/780092553.db2.gz YUWHJLOHORJRAB-ZJUUUORDSA-N 2 1 299.375 -1.525 20 0 CAADMP C[C@@H]1CC[N@@H+](CC(=O)NCCC[NH2+]CC(N)=O)C1 ZINC001166667659 780092658 /nfs/dbraw/zinc/09/26/58/780092658.db2.gz GJAKLKDUXQSHNJ-SNVBAGLBSA-N 2 1 256.350 -1.091 20 0 CAADMP C[C@H]1CC[N@@H+](CC(=O)NCCC[NH2+]CC(=O)NC(N)=O)C1 ZINC001166667662 780092792 /nfs/dbraw/zinc/09/27/92/780092792.db2.gz GMMYIJGXEOAWOS-JTQLQIEISA-N 2 1 299.375 -1.381 20 0 CAADMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCCC[NH2+]CC(=O)NC(N)=O ZINC001166694934 780092870 /nfs/dbraw/zinc/09/28/70/780092870.db2.gz YUWHJLOHORJRAB-UWVGGRQHSA-N 2 1 299.375 -1.525 20 0 CAADMP C[C@@H]1CC[N@@H+](CC(=O)NCCC[NH2+]CC(=O)NC(N)=O)C1 ZINC001166667664 780093059 /nfs/dbraw/zinc/09/30/59/780093059.db2.gz GMMYIJGXEOAWOS-SNVBAGLBSA-N 2 1 299.375 -1.381 20 0 CAADMP NC(=O)[C@H]1CN(c2ncnc3c2CC[NH2+]C3)CC[NH2+]1 ZINC001166724135 780093902 /nfs/dbraw/zinc/09/39/02/780093902.db2.gz RCLATCVFWQPQBK-SNVBAGLBSA-N 2 1 262.317 -1.614 20 0 CAADMP NC(=O)[C@H]1CN(c2cncc(N3CC[NH2+]CC3)n2)CC[NH2+]1 ZINC001166724511 780094019 /nfs/dbraw/zinc/09/40/19/780094019.db2.gz CIVMSLVFPFAUII-SNVBAGLBSA-N 2 1 291.359 -1.850 20 0 CAADMP NC(=O)[C@H]1CN(c2ccc(N3CC[NH2+]CC3)cn2)CC[NH2+]1 ZINC001166724591 780094255 /nfs/dbraw/zinc/09/42/55/780094255.db2.gz RFLNVRTZGILASL-GFCCVEGCSA-N 2 1 290.371 -1.245 20 0 CAADMP NC(=O)[C@@H]1CN(c2cc(C3C[NH2+]C3)ncn2)CC[NH2+]1 ZINC001166725049 780094844 /nfs/dbraw/zinc/09/48/44/780094844.db2.gz ARECWRKBAHFVOS-JTQLQIEISA-N 2 1 262.317 -1.573 20 0 CAADMP Cc1cnc(N2CC[NH2+][C@H](C(N)=O)C2)nc1C1C[NH2+]C1 ZINC001166725372 780095706 /nfs/dbraw/zinc/09/57/06/780095706.db2.gz HPUNBQJXBJJJCD-JTQLQIEISA-N 2 1 276.344 -1.265 20 0 CAADMP CS(=O)(=O)N(c1ncc2c(n1)C[NH2+]C2)C1C[NH2+]C1 ZINC001166969321 780100220 /nfs/dbraw/zinc/10/02/20/780100220.db2.gz RYHSRTNQQDKQET-UHFFFAOYSA-N 2 1 269.330 -1.182 20 0 CAADMP [NH3+][C@@H]1CCN(Cc2cnc3n2CC[NH2+]C3)C[C@H]1O ZINC001205984006 780107893 /nfs/dbraw/zinc/10/78/93/780107893.db2.gz QUFNSGQWWIIYDX-GHMZBOCLSA-N 2 1 251.334 -1.120 20 0 CAADMP [NH3+]C[C@H]1CN(Cc2cnc3n2CC[NH2+]C3)C[C@@H]1O ZINC001206541950 780110590 /nfs/dbraw/zinc/11/05/90/780110590.db2.gz ODYPZJIKQMIGCL-ONGXEEELSA-N 2 1 251.334 -1.262 20 0 CAADMP Cn1cc(C[N@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)c(=O)n(C)c1=O ZINC001206474537 780110945 /nfs/dbraw/zinc/11/09/45/780110945.db2.gz DWPBIWGNLRLREP-WCBMZHEXSA-N 2 1 268.317 -2.165 20 0 CAADMP C[C@@H]1C[N@H+](CC(N)=O)C[C@H]1NC(=O)CC[NH+](C)C ZINC001208492013 780128535 /nfs/dbraw/zinc/12/85/35/780128535.db2.gz CMYJJDFSUFEHNG-NXEZZACHSA-N 2 1 256.350 -1.140 20 0 CAADMP C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1NC(=O)CC[NH+](C)C ZINC001208492013 780128543 /nfs/dbraw/zinc/12/85/43/780128543.db2.gz CMYJJDFSUFEHNG-NXEZZACHSA-N 2 1 256.350 -1.140 20 0 CAADMP O=S(=O)(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)C1C[NH2+]C1 ZINC000405138041 780159111 /nfs/dbraw/zinc/15/91/11/780159111.db2.gz KKWVDSSUCUWOME-VHSXEESVSA-N 2 1 275.374 -1.259 20 0 CAADMP O=S(=O)(NC[C@H]1C[N@H+]2CCC[C@H]2CO1)C1C[NH2+]C1 ZINC000405138040 780159745 /nfs/dbraw/zinc/15/97/45/780159745.db2.gz KKWVDSSUCUWOME-UWVGGRQHSA-N 2 1 275.374 -1.259 20 0 CAADMP [NH3+][C@H](C(=O)N=c1ncnc2[nH][nH]cc1-2)C1CC[NH2+]CC1 ZINC001218518312 780166993 /nfs/dbraw/zinc/16/69/93/780166993.db2.gz OZJSNXCZAPIFMZ-VIFPVBQESA-N 2 1 275.316 -1.008 20 0 CAADMP NC(=O)c1[nH]ncc1NC(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001218563510 780170453 /nfs/dbraw/zinc/17/04/53/780170453.db2.gz CADIMUCBBSOWRQ-LURJTMIESA-N 2 1 264.289 -1.744 20 0 CAADMP C[NH+]1CCN(c2ncc(NC(=O)CNCC[NH3+])cn2)CC1 ZINC001218580361 780173758 /nfs/dbraw/zinc/17/37/58/780173758.db2.gz OCJXYSYHZFBABG-UHFFFAOYSA-N 2 1 293.375 -1.285 20 0 CAADMP N[C@H]1C[NH2+][C@H](C(=O)Nc2cnn(C3C[NH2+]C3)c2)C1 ZINC001218641950 780178179 /nfs/dbraw/zinc/17/81/79/780178179.db2.gz ZBLIPSCYZUSOMJ-XCBNKYQSSA-N 2 1 250.306 -1.345 20 0 CAADMP CC(=O)OC[C@H]([NH3+])C(=O)Nc1cnn(C2C[NH2+]C2)c1 ZINC001218640959 780178353 /nfs/dbraw/zinc/17/83/53/780178353.db2.gz OJQDODHOFYFPAL-JTQLQIEISA-N 2 1 267.289 -1.144 20 0 CAADMP O=C(C[NH2+]C1CC[NH2+]CC1)NCCC(=O)N1CCOCC1 ZINC001219573002 780234360 /nfs/dbraw/zinc/23/43/60/780234360.db2.gz DEPDQVWYDVEGBT-UHFFFAOYSA-N 2 1 298.387 -1.307 20 0 CAADMP C[C@H]1CC[C@H](NC(=O)[C@H](N)CN2CCC([NH3+])CC2)C[NH2+]1 ZINC001219589477 780234797 /nfs/dbraw/zinc/23/47/97/780234797.db2.gz RCXDTOWEHWCIHW-WCFLWFBJSA-N 2 1 283.420 -1.007 20 0 CAADMP C[NH+]1CCN(CC(=O)NC[C@]2(O)CC[NH2+]C[C@@H]2F)CC1 ZINC001219617360 780239459 /nfs/dbraw/zinc/23/94/59/780239459.db2.gz LQGBRIYWQOOSOP-WCQYABFASA-N 2 1 288.367 -1.588 20 0 CAADMP O=C(NC[C@]1(O)CC[NH2+]C[C@@H]1F)[C@H]1C[NH2+]Cc2ccnn21 ZINC001219616377 780240288 /nfs/dbraw/zinc/24/02/88/780240288.db2.gz ZIPCMRMFDVONOZ-NTZNESFSSA-N 2 1 297.334 -1.294 20 0 CAADMP CC1(C)C[NH2+][C@H](C(=O)NC[C@]2(O)CC[NH2+]C[C@@H]2F)CO1 ZINC001219621945 780241091 /nfs/dbraw/zinc/24/10/91/780241091.db2.gz KLQIAFKAXHSJQK-OUJBWJOFSA-N 2 1 289.351 -1.068 20 0 CAADMP [NH3+]CCCC[C@H]([NH3+])C(=O)NC[C@]1(O)CCNC[C@@H]1F ZINC001219620072 780241640 /nfs/dbraw/zinc/24/16/40/780241640.db2.gz UYAOXLQEUADPKB-JBLDHEPKSA-N 2 1 276.356 -1.379 20 0 CAADMP O=C(NC[C@]1(O)CC[NH2+]C[C@@H]1F)c1nnn2c1C[NH2+]CC2 ZINC001219627856 780243018 /nfs/dbraw/zinc/24/30/18/780243018.db2.gz KJHIJBPLCCICKS-JOYOIKCWSA-N 2 1 298.322 -1.826 20 0 CAADMP C[C@@H]([NH3+])C(=O)NCCS(=O)(=O)N1CC[NH2+]CC1 ZINC001219676347 780246506 /nfs/dbraw/zinc/24/65/06/780246506.db2.gz GXOKAVTXKMYFOT-MRVPVSSYSA-N 2 1 264.351 -2.315 20 0 CAADMP [NH3+]C1(C(=O)NCCS(=O)(=O)N2CC[NH2+]CC2)CC1 ZINC001219676309 780246738 /nfs/dbraw/zinc/24/67/38/780246738.db2.gz FIMRRKIXZMRJMK-UHFFFAOYSA-N 2 1 276.362 -2.171 20 0 CAADMP [NH3+]CCNCC(=O)NCCS(=O)(=O)N1CC[NH2+]CC1 ZINC001219678538 780247334 /nfs/dbraw/zinc/24/73/34/780247334.db2.gz RYUYQOXUYXEEKA-UHFFFAOYSA-N 2 1 293.393 -3.114 20 0 CAADMP N[C@@H](CC[NH3+])C(=O)NCCS(=O)(=O)N1CC[NH2+]CC1 ZINC001219678266 780247350 /nfs/dbraw/zinc/24/73/50/780247350.db2.gz IVBRWUPHBKUNRB-VIFPVBQESA-N 2 1 293.393 -2.986 20 0 CAADMP N[C@@H](C[NH3+])C(=O)NCCS(=O)(=O)N1CC[NH2+]CC1 ZINC001219676439 780247442 /nfs/dbraw/zinc/24/74/42/780247442.db2.gz KMPHPPUAWUJLKG-QMMMGPOBSA-N 2 1 279.366 -3.376 20 0 CAADMP C[C@@H]1C[C@@H](CNC(=O)[C@H](N)CN2CCC([NH3+])CC2)C[NH2+]1 ZINC001219684773 780248606 /nfs/dbraw/zinc/24/86/06/780248606.db2.gz RXAJVHJEARJKCB-NQBHXWOUSA-N 2 1 283.420 -1.149 20 0 CAADMP CN1CCO[C@@H](CNC(=O)C[NH2+]C2CC[NH2+]CC2)C1 ZINC001219695237 780250085 /nfs/dbraw/zinc/25/00/85/780250085.db2.gz RWRXZNNDMLEAHJ-LBPRGKRZSA-N 2 1 270.377 -1.225 20 0 CAADMP N[C@@H](CN1CCC([NH3+])CC1)C(=O)NCCC1(O)C[NH2+]C1 ZINC001219697033 780250144 /nfs/dbraw/zinc/25/01/44/780250144.db2.gz PAOQXEZAMNOBNW-NSHDSACASA-N 2 1 285.392 -2.423 20 0 CAADMP [NH3+][C@H](Cc1c[nH]cn1)C(=O)NCCC1(O)C[NH2+]C1 ZINC001219695254 780250300 /nfs/dbraw/zinc/25/03/00/780250300.db2.gz SKOGGJONBJKWIK-SECBINFHSA-N 2 1 253.306 -1.880 20 0 CAADMP NC[C@H]([NH3+])c1ccc(C(=O)N[C@@H]2C[NH2+]C[C@H]2O)cc1 ZINC001219714226 780252215 /nfs/dbraw/zinc/25/22/15/780252215.db2.gz IUACWTVMFUOHID-QJPTWQEYSA-N 2 1 264.329 -1.292 20 0 CAADMP NC[C@@H]([NH3+])c1ccc(C(=O)N[C@@H]2C[NH2+]C[C@H]2O)cc1 ZINC001219714225 780252407 /nfs/dbraw/zinc/25/24/07/780252407.db2.gz IUACWTVMFUOHID-IJLUTSLNSA-N 2 1 264.329 -1.292 20 0 CAADMP CC[NH+](CC)C[C@@H](F)C(=O)N[C@@H]1C[N@H+](CCO)C[C@@H]1O ZINC001219724709 780253778 /nfs/dbraw/zinc/25/37/78/780253778.db2.gz YCDAKDCKCAUOFH-UTUOFQBUSA-N 2 1 291.367 -1.180 20 0 CAADMP CC[NH+](CC)C[C@@H](F)C(=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001219724709 780253781 /nfs/dbraw/zinc/25/37/81/780253781.db2.gz YCDAKDCKCAUOFH-UTUOFQBUSA-N 2 1 291.367 -1.180 20 0 CAADMP [NH3+]CCCNCC(=O)NC[C@H]1CC2(C[NH2+]C2)CO1 ZINC001219737566 780255058 /nfs/dbraw/zinc/25/50/58/780255058.db2.gz ZCMGDFQPDREMEH-SNVBAGLBSA-N 2 1 256.350 -1.581 20 0 CAADMP N[C@H]1C[NH2+][C@H](C(=O)NC[C@@H]2CC3(C[NH2+]C3)CO2)C1 ZINC001219737554 780255254 /nfs/dbraw/zinc/25/52/54/780255254.db2.gz YZKMHYOGVPJUKL-UTLUCORTSA-N 2 1 254.334 -1.830 20 0 CAADMP [NH3+]CCCNCC(=O)NC[C@@H]1CC2(C[NH2+]C2)CO1 ZINC001219737565 780255434 /nfs/dbraw/zinc/25/54/34/780255434.db2.gz ZCMGDFQPDREMEH-JTQLQIEISA-N 2 1 256.350 -1.581 20 0 CAADMP COC(=O)[C@@H]([NH3+])CCC(=O)NC[C@H]1CC2(C[NH2+]C2)CO1 ZINC001219737020 780255677 /nfs/dbraw/zinc/25/56/77/780255677.db2.gz MUWOZPBKUJLUSI-ZJUUUORDSA-N 2 1 285.344 -1.238 20 0 CAADMP O=C(C[NH2+]C1CC[NH2+]CC1)NC[C@H]1CC2(C[NH2+]C2)CO1 ZINC001219736963 780255745 /nfs/dbraw/zinc/25/57/45/780255745.db2.gz LOMLJRGPLIADDF-GFCCVEGCSA-N 3 1 282.388 -1.177 20 0 CAADMP [NH3+]CCC[C@@H]([NH3+])C(=O)NCc1nnc2n1CCCNC2 ZINC001219746951 780256438 /nfs/dbraw/zinc/25/64/38/780256438.db2.gz OZGFJAXDVKBUFE-SECBINFHSA-N 2 1 281.364 -1.546 20 0 CAADMP N[C@@]1(C(=O)NC[C@H]2C[C@H]3CNCC[N@H+]3C2)CCC[NH2+]C1 ZINC001219766625 780258375 /nfs/dbraw/zinc/25/83/75/780258375.db2.gz YJMPOBZWNOZGHY-DYEKYZERSA-N 2 1 281.404 -1.523 20 0 CAADMP N[C@@]1(C(=O)NC[C@H]2C[C@H]3C[NH2+]CCN3C2)CCC[NH2+]C1 ZINC001219766625 780258381 /nfs/dbraw/zinc/25/83/81/780258381.db2.gz YJMPOBZWNOZGHY-DYEKYZERSA-N 2 1 281.404 -1.523 20 0 CAADMP O=C(NC[C@H]1C[C@H]2CNCC[N@H+]2C1)[C@]12C[NH2+]C[C@@H]1CCN2 ZINC001219765087 780258496 /nfs/dbraw/zinc/25/84/96/780258496.db2.gz ULXFRBHHSRYMJY-OSFYFWSMSA-N 2 1 293.415 -1.652 20 0 CAADMP O=C(NC[C@H]1C[C@H]2C[NH2+]CCN2C1)[C@]12C[NH2+]C[C@@H]1CCN2 ZINC001219765087 780258503 /nfs/dbraw/zinc/25/85/03/780258503.db2.gz ULXFRBHHSRYMJY-OSFYFWSMSA-N 2 1 293.415 -1.652 20 0 CAADMP N[C@H]1C[NH2+]C[C@@H]1C(=O)NC[C@H]1C[C@H]2CNCC[N@H+]2C1 ZINC001219766456 780258561 /nfs/dbraw/zinc/25/85/61/780258561.db2.gz SWPUSZFHDKGXTP-RHYQMDGZSA-N 2 1 267.377 -2.057 20 0 CAADMP N[C@H]1C[NH2+]C[C@@H]1C(=O)NC[C@H]1C[C@H]2C[NH2+]CCN2C1 ZINC001219766456 780258568 /nfs/dbraw/zinc/25/85/68/780258568.db2.gz SWPUSZFHDKGXTP-RHYQMDGZSA-N 2 1 267.377 -2.057 20 0 CAADMP O=C(NC[C@H]1C[C@H]2CNCC[N@H+]2C1)[C@]12C[NH2+]C[C@H]1CCN2 ZINC001219765085 780258886 /nfs/dbraw/zinc/25/88/86/780258886.db2.gz ULXFRBHHSRYMJY-CXTNEJHOSA-N 2 1 293.415 -1.652 20 0 CAADMP O=C(NC[C@H]1C[C@H]2C[NH2+]CCN2C1)[C@]12C[NH2+]C[C@H]1CCN2 ZINC001219765085 780258893 /nfs/dbraw/zinc/25/88/93/780258893.db2.gz ULXFRBHHSRYMJY-CXTNEJHOSA-N 2 1 293.415 -1.652 20 0 CAADMP N[C@]1(C(=O)NC[C@H]2C[C@H]3CNCC[N@H+]3C2)CC[NH2+]C1 ZINC001219766380 780259135 /nfs/dbraw/zinc/25/91/35/780259135.db2.gz RJTGZEFTMPQBBL-NTZNESFSSA-N 2 1 267.377 -1.913 20 0 CAADMP N[C@]1(C(=O)NC[C@H]2C[C@H]3C[NH2+]CCN3C2)CC[NH2+]C1 ZINC001219766380 780259141 /nfs/dbraw/zinc/25/91/41/780259141.db2.gz RJTGZEFTMPQBBL-NTZNESFSSA-N 2 1 267.377 -1.913 20 0 CAADMP O=C(NC[C@H]1C[C@H]2CNCC[N@H+]2C1)[C@H]1[NH2+]CC[C@@H]1O ZINC001219765939 780259390 /nfs/dbraw/zinc/25/93/90/780259390.db2.gz IVAQCGZKLRTVME-RHYQMDGZSA-N 2 1 268.361 -1.881 20 0 CAADMP O=C(NC[C@H]1C[C@H]2C[NH2+]CCN2C1)[C@H]1[NH2+]CC[C@@H]1O ZINC001219765939 780259400 /nfs/dbraw/zinc/25/94/00/780259400.db2.gz IVAQCGZKLRTVME-RHYQMDGZSA-N 2 1 268.361 -1.881 20 0 CAADMP O=C(NC[C@H]1C[C@H]2CNCC[N@H+]2C1)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC001219764891 780259426 /nfs/dbraw/zinc/25/94/26/780259426.db2.gz OJXIKKAIFZDHDK-FHUSYTEZSA-N 2 1 264.373 -1.138 20 0 CAADMP O=C(NC[C@H]1C[C@H]2C[NH2+]CCN2C1)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC001219764891 780259433 /nfs/dbraw/zinc/25/94/33/780259433.db2.gz OJXIKKAIFZDHDK-FHUSYTEZSA-N 2 1 264.373 -1.138 20 0 CAADMP O=C(C[C@H]1COCC[NH2+]1)NC[C@H]1C[C@H]2CNCC[N@H+]2C1 ZINC001219766117 780259474 /nfs/dbraw/zinc/25/94/74/780259474.db2.gz MNYPMLHGKNPXEJ-AGIUHOORSA-N 2 1 282.388 -1.225 20 0 CAADMP O=C(C[C@H]1COCC[NH2+]1)NC[C@H]1C[C@H]2C[NH2+]CCN2C1 ZINC001219766117 780259481 /nfs/dbraw/zinc/25/94/81/780259481.db2.gz MNYPMLHGKNPXEJ-AGIUHOORSA-N 2 1 282.388 -1.225 20 0 CAADMP O=C(NC[C@H]1C[C@H]2CNCC[N@H+]2C1)[C@H]1C[NH2+]CCN1 ZINC001219765863 780259530 /nfs/dbraw/zinc/25/95/30/780259530.db2.gz FUGYXYVEVSQCAV-GRYCIOLGSA-N 2 1 267.377 -2.042 20 0 CAADMP O=C(NC[C@H]1C[C@H]2C[NH2+]CCN2C1)[C@H]1C[NH2+]CCN1 ZINC001219765863 780259535 /nfs/dbraw/zinc/25/95/35/780259535.db2.gz FUGYXYVEVSQCAV-GRYCIOLGSA-N 2 1 267.377 -2.042 20 0 CAADMP O=C(NC[C@H]1C[C@H]2CNCC[N@H+]2C1)[C@H]1C[NH2+]C[C@H]1O ZINC001219766404 780259557 /nfs/dbraw/zinc/25/95/57/780259557.db2.gz RTYNQLJQZYKEIQ-NOOOWODRSA-N 2 1 268.361 -2.023 20 0 CAADMP O=C(NC[C@H]1C[C@H]2C[NH2+]CCN2C1)[C@H]1C[NH2+]C[C@H]1O ZINC001219766404 780259562 /nfs/dbraw/zinc/25/95/62/780259562.db2.gz RTYNQLJQZYKEIQ-NOOOWODRSA-N 2 1 268.361 -2.023 20 0 CAADMP N[C@@H](CC[NH3+])C(=O)NC[C@H]1C[C@H]2CNCC[N@H+]2C1 ZINC001219764540 780259622 /nfs/dbraw/zinc/25/96/22/780259622.db2.gz HWHVFTIQSZWLAZ-VWYCJHECSA-N 2 1 255.366 -1.928 20 0 CAADMP N[C@@H](CC[NH3+])C(=O)NC[C@H]1C[C@H]2C[NH2+]CCN2C1 ZINC001219764540 780259627 /nfs/dbraw/zinc/25/96/27/780259627.db2.gz HWHVFTIQSZWLAZ-VWYCJHECSA-N 2 1 255.366 -1.928 20 0 CAADMP N[C@@H](C[NH3+])C(=O)NC1CCN(C2CC[NH2+]CC2)CC1 ZINC001219793782 780260423 /nfs/dbraw/zinc/26/04/23/780260423.db2.gz KSEJQRJFQGZKKD-LBPRGKRZSA-N 2 1 269.393 -1.395 20 0 CAADMP O=C(NC1CCN(C2CC[NH2+]CC2)CC1)[C@H]1C[NH2+]C[C@@H]1O ZINC001219796117 780260435 /nfs/dbraw/zinc/26/04/35/780260435.db2.gz NDLOZWZAFMPYLI-KBPBESRZSA-N 2 1 296.415 -1.101 20 0 CAADMP N[C@H]1C[NH2+]C[C@@H]1C(=O)NC1CCN(C2CC[NH2+]CC2)CC1 ZINC001219796232 780260701 /nfs/dbraw/zinc/26/07/01/780260701.db2.gz RXDHVAFWUPXHMP-KBPBESRZSA-N 2 1 295.431 -1.134 20 0 CAADMP O=C(NCC[C@@H]1CCOC12C[NH2+]C2)[C@@H]1COCC[NH2+]1 ZINC001219799853 780261060 /nfs/dbraw/zinc/26/10/60/780261060.db2.gz DXPRSZXXGBHXGO-MNOVXSKESA-N 2 1 269.345 -1.140 20 0 CAADMP N[C@@H](CC[NH3+])C(=O)NC1CCN(C2CC[NH2+]CC2)CC1 ZINC001219796122 780261753 /nfs/dbraw/zinc/26/17/53/780261753.db2.gz NEEBXCNCYDYHQV-ZDUSSCGKSA-N 2 1 283.420 -1.005 20 0 CAADMP C[NH+](C)[C@H](C(=O)N[C@@H]1C[N@@H+](CCCO)C[C@@H]1O)C1CC1 ZINC001219805955 780262209 /nfs/dbraw/zinc/26/22/09/780262209.db2.gz WWLGAUAXIRGTDC-AGIUHOORSA-N 2 1 285.388 -1.130 20 0 CAADMP O=C(NCc1noc2c1CNCC2)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001219809952 780262374 /nfs/dbraw/zinc/26/23/74/780262374.db2.gz XHAOOBYCQFCPNE-JTQLQIEISA-N 2 1 291.355 -1.255 20 0 CAADMP [NH3+]C[C@@H](O)CC(=O)NCc1cc(=O)n2c(n1)C[NH2+]CCC2 ZINC001219803212 780262669 /nfs/dbraw/zinc/26/26/69/780262669.db2.gz NRYRQZZDEQJKOL-JTQLQIEISA-N 2 1 295.343 -1.938 20 0 CAADMP [NH3+]CCNCC(=O)NCc1cc(=O)n2c(n1)C[NH2+]CCC2 ZINC001219807384 780263307 /nfs/dbraw/zinc/26/33/07/780263307.db2.gz DKENBHDELPEIIE-UHFFFAOYSA-N 2 1 294.359 -2.099 20 0 CAADMP [NH3+][C@@H](Cc1c[nH]cn1)C(=O)NC[C@H]1C[C@@H]2C[NH2+]C[C@@H]2O1 ZINC001219831682 780264023 /nfs/dbraw/zinc/26/40/23/780264023.db2.gz UIPMCLRCQCNBAV-YJQGPUDQSA-N 2 1 279.344 -1.227 20 0 CAADMP N[C@@H]1C[NH2+][C@H](C(=O)NC[C@]23C[NH2+]C[C@H]2COC3)C1 ZINC001219815171 780264164 /nfs/dbraw/zinc/26/41/64/780264164.db2.gz UJXUZWHGERFOOJ-GMOBBJLQSA-N 2 1 254.334 -1.972 20 0 CAADMP [NH3+]CCCNCC(=O)NC[C@]12C[NH2+]C[C@H]1COC2 ZINC001219814817 780264668 /nfs/dbraw/zinc/26/46/68/780264668.db2.gz MMBCRTCRNXEXRT-JQWIXIFHSA-N 2 1 256.350 -1.723 20 0 CAADMP [NH3+][C@@H](Cc1c[nH]cn1)C(=O)NC[C@]12C[NH2+]C[C@H]1COC2 ZINC001219813100 780264747 /nfs/dbraw/zinc/26/47/47/780264747.db2.gz OAZHNRRFIVNWQB-GAFUQQFSSA-N 2 1 279.344 -1.368 20 0 CAADMP [NH3+]CCCNCC(=O)NC[C@H]1C[C@@H]2C[NH2+]C[C@@H]2O1 ZINC001219831577 780265038 /nfs/dbraw/zinc/26/50/38/780265038.db2.gz PNEGUIIDPOQCHB-MXWKQRLJSA-N 2 1 256.350 -1.582 20 0 CAADMP N[C@H]1C[NH2+][C@H](C(=O)NC[C@H]2C[C@@H]3C[NH2+]C[C@@H]3O2)C1 ZINC001219831816 780265164 /nfs/dbraw/zinc/26/51/64/780265164.db2.gz ZAMMWTUGKGQTNN-APLZJWDSSA-N 2 1 254.334 -1.831 20 0 CAADMP N[C@H]1C[NH2+][C@H](C(=O)NC[C@@H]2CO[C@]3(C2)C[NH2+]CCOC3)C1 ZINC001219837059 780265796 /nfs/dbraw/zinc/26/57/96/780265796.db2.gz HCBVEGOOOYRZSM-NRWUCQMLSA-N 2 1 298.387 -1.813 20 0 CAADMP O=C(NC[C@@H]1CO[C@]2(C1)C[NH2+]CCOC2)[C@@H]1COC[NH2+]1 ZINC001219834935 780265884 /nfs/dbraw/zinc/26/58/84/780265884.db2.gz VGCIVHABRDTUBG-NTZNESFSSA-N 2 1 285.344 -1.556 20 0 CAADMP N[C@H]1C[NH2+][C@H](C(=O)NC[C@H]2CO[C@]3(C2)C[NH2+]CCOC3)C1 ZINC001219837056 780266331 /nfs/dbraw/zinc/26/63/31/780266331.db2.gz HCBVEGOOOYRZSM-KZVDOYCCSA-N 2 1 298.387 -1.813 20 0 CAADMP N[C@H]1C[NH2+][C@H](C(=O)NC[C@@H]2CO[C@@]3(C2)C[NH2+]CCOC3)C1 ZINC001219837058 780266529 /nfs/dbraw/zinc/26/65/29/780266529.db2.gz HCBVEGOOOYRZSM-NMKXLXIOSA-N 2 1 298.387 -1.813 20 0 CAADMP [NH3+]CC[C@H]([NH3+])C(=O)NC[C@@H]1CO[C@]2(C1)C[NH2+]CCOC2 ZINC001219838591 780266655 /nfs/dbraw/zinc/26/66/55/780266655.db2.gz SCCJRYKSSRCVNQ-NTZNESFSSA-N 3 1 286.376 -1.826 20 0 CAADMP [NH3+]CCCNCC(=O)N[C@H]1CC[C@@H]2[NH2+]CCO[C@@H]12 ZINC001219847634 780267532 /nfs/dbraw/zinc/26/75/32/780267532.db2.gz NHOSMGDANIHIAJ-JBLDHEPKSA-N 2 1 256.350 -1.440 20 0 CAADMP [NH3+][C@H](Cc1c[nH]cn1)C(=O)N[C@H]1CC[C@@H]2[NH2+]CCO[C@@H]12 ZINC001219847788 780267987 /nfs/dbraw/zinc/26/79/87/780267987.db2.gz SFRUUYAKHNQCLL-NOOOWODRSA-N 2 1 279.344 -1.085 20 0 CAADMP N[C@H]1C[NH2+][C@H](C(=O)N[C@H]2CC[C@@H]3[NH2+]CCO[C@@H]23)C1 ZINC001219847257 780268075 /nfs/dbraw/zinc/26/80/75/780268075.db2.gz BAXPFHKQRXFKQD-ORMBPQIASA-N 2 1 254.334 -1.689 20 0 CAADMP N[C@@H]1C[NH2+][C@H](C(=O)N[C@H]2CC[C@@H]3[NH2+]CCO[C@@H]23)C1 ZINC001219847256 780268100 /nfs/dbraw/zinc/26/81/00/780268100.db2.gz BAXPFHKQRXFKQD-AJBSGBCOSA-N 2 1 254.334 -1.689 20 0 CAADMP O=C(NC[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21)[C@@H]1COC[NH2+]1 ZINC001219849997 780268680 /nfs/dbraw/zinc/26/86/80/780268680.db2.gz LAIRXEABRMPDOL-XWLWVQCSSA-N 2 1 255.318 -1.327 20 0 CAADMP [NH3+]CCCNCC(=O)NC[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21 ZINC001219852005 780269434 /nfs/dbraw/zinc/26/94/34/780269434.db2.gz JVTZNETXXDGFST-SDDRHHMPSA-N 2 1 270.377 -1.335 20 0 CAADMP N[C@@H]1C[NH2+][C@H](C(=O)NC[C@H]2OC[C@@H]3CC[NH2+]C[C@@H]32)C1 ZINC001219851713 780269505 /nfs/dbraw/zinc/26/95/05/780269505.db2.gz BPCGPYSEXPNRNS-UHFZAUJKSA-N 2 1 268.361 -1.584 20 0 CAADMP CC[C@H](C(=O)N[C@@H]1C[N@@H+](CCCO)C[C@@H]1O)[NH+](C)C ZINC001219869934 780270765 /nfs/dbraw/zinc/27/07/65/780270765.db2.gz VSYYVWIZEYIKQQ-UTUOFQBUSA-N 2 1 273.377 -1.130 20 0 CAADMP O=C(C[NH2+]C1CC[NH2+]CC1)NC[C@H]1CCC(=O)N1 ZINC001219959024 780280624 /nfs/dbraw/zinc/28/06/24/780280624.db2.gz FTRQVAQNTXWVQN-SNVBAGLBSA-N 2 1 254.334 -1.277 20 0 CAADMP O=C(C[NH2+]C1CC[NH2+]CC1)NCCCc1c[nH][nH]c1=O ZINC001219968044 780285074 /nfs/dbraw/zinc/28/50/74/780285074.db2.gz TXLICYZHAKVENK-JTQLQIEISA-N 2 1 281.360 -1.044 20 0 CAADMP COC(=O)C1(NC(=O)[C@@H]2COCC[NH2+]2)CC[NH2+]CC1 ZINC001220001752 780287673 /nfs/dbraw/zinc/28/76/73/780287673.db2.gz WUPWCOBUIXZJSI-VIFPVBQESA-N 2 1 271.317 -1.614 20 0 CAADMP N=c1cc(C[NH3+])ncn1C(=O)[C@@H](N)CN1CCC([NH3+])CC1 ZINC001220020236 780291100 /nfs/dbraw/zinc/29/11/00/780291100.db2.gz BPXYZVYILLMOMP-NSHDSACASA-N 2 1 293.375 -1.788 20 0 CAADMP O=C(C[NH2+]C1CC[NH2+]CC1)NC1(CO)CCOCC1 ZINC001220016645 780291117 /nfs/dbraw/zinc/29/11/17/780291117.db2.gz NEEWMMMMSLCRGU-UHFFFAOYSA-N 2 1 271.361 -1.014 20 0 CAADMP COC(=O)[C@@H](NC(=O)[C@@H]([NH3+])CC[NH3+])C1CCOCC1 ZINC001220025873 780292753 /nfs/dbraw/zinc/29/27/53/780292753.db2.gz ZHPBJXTVPMQXSG-UWVGGRQHSA-N 2 1 273.333 -1.253 20 0 CAADMP N=c1cc(C[NH3+])ncn1C(=O)[C@@H](N)CSCC[NH3+] ZINC001220020825 780293510 /nfs/dbraw/zinc/29/35/10/780293510.db2.gz XGLPVVSYRSWZLY-QMMMGPOBSA-N 2 1 270.362 -1.519 20 0 CAADMP CCOC(=O)C(=CNC(=O)[C@@H]([NH3+])CC[NH3+])C(=O)OCC ZINC001220041456 780296308 /nfs/dbraw/zinc/29/63/08/780296308.db2.gz MNHHTNXORHFWFM-VIFPVBQESA-N 2 1 287.316 -1.211 20 0 CAADMP Cc1[nH+]c(N)ccc1CNC(=O)[C@@H]1COC2(C[NH2+]C2)CN1 ZINC001220071458 780299336 /nfs/dbraw/zinc/29/93/36/780299336.db2.gz DLJJEMULLZTERV-NSHDSACASA-N 2 1 291.355 -1.081 20 0 CAADMP NC(=[NH2+])N(CCCC[NH3+])C(=O)[C@H]1C[NH2+]CC12CNC2 ZINC001220101459 780302183 /nfs/dbraw/zinc/30/21/83/780302183.db2.gz OPFYDKGFVKYJLF-SECBINFHSA-N 3 1 268.365 -1.744 20 0 CAADMP C[S@@](=O)CC[C@H]([NH3+])C(=O)N(CCCC[NH3+])C(N)=[NH2+] ZINC001220103336 780302763 /nfs/dbraw/zinc/30/27/63/780302763.db2.gz ONUTXRBUINJRFS-DCXZOGHSSA-N 3 1 277.394 -1.457 20 0 CAADMP NC(=[NH2+])N(CCCC[NH3+])C(=O)C[C@H]1COCCN1 ZINC001220103394 780302782 /nfs/dbraw/zinc/30/27/82/780302782.db2.gz QPVDNCCGDXMRRK-VIFPVBQESA-N 2 1 257.338 -1.174 20 0 CAADMP CCOC(=O)C(F)(F)CNC(=O)[C@@H]([NH3+])CC[NH3+] ZINC001220097260 780302873 /nfs/dbraw/zinc/30/28/73/780302873.db2.gz SUOGUPKXXCBFMO-LURJTMIESA-N 2 1 253.249 -1.023 20 0 CAADMP NC(=[NH2+])N(CCCC[NH3+])C(=O)C[C@@H]1COCCN1 ZINC001220103393 780302951 /nfs/dbraw/zinc/30/29/51/780302951.db2.gz QPVDNCCGDXMRRK-SECBINFHSA-N 2 1 257.338 -1.174 20 0 CAADMP CS(=O)(=O)N1CC(NC(=O)[C@@H]([NH3+])CC[NH3+])C1 ZINC001220145607 780311345 /nfs/dbraw/zinc/31/13/45/780311345.db2.gz IMAYEQLYRPNYHM-ZETCQYMHSA-N 2 1 250.324 -2.578 20 0 CAADMP CS(=O)(=O)N1CC(NC(=O)C[NH2+]C2CC[NH2+]CC2)C1 ZINC001220146010 780312047 /nfs/dbraw/zinc/31/20/47/780312047.db2.gz ZHODFZFDIPNLNO-UHFFFAOYSA-N 2 1 290.389 -1.912 20 0 CAADMP O=C(C[NH2+]C1CC[NH2+]CC1)NC1CC(CO)(CO)C1 ZINC001220152096 780312982 /nfs/dbraw/zinc/31/29/82/780312982.db2.gz UCQIYYHJVUQHOR-UHFFFAOYSA-N 2 1 271.361 -1.422 20 0 CAADMP C[N@H+]1CCC[C@H](NC(=O)[C@@H](N)CN2CCC([NH3+])CC2)C1 ZINC001220159990 780313725 /nfs/dbraw/zinc/31/37/25/780313725.db2.gz UEKDQYAFLJXOQB-STQMWFEESA-N 2 1 283.420 -1.053 20 0 CAADMP C[N@H+]1CCC[C@H](NC(=O)[C@H]2COC3(C[NH2+]C3)CN2)C1 ZINC001220156902 780314056 /nfs/dbraw/zinc/31/40/56/780314056.db2.gz PJUZMMZBAPWLIP-WDEREUQCSA-N 2 1 268.361 -1.473 20 0 CAADMP CC(C)[NH+]1CC(NC(=O)[C@H]([NH3+])CCCNC(N)=O)C1 ZINC001220159993 780314187 /nfs/dbraw/zinc/31/41/87/780314187.db2.gz UHRCUEXNRNOPDL-SNVBAGLBSA-N 2 1 271.365 -1.029 20 0 CAADMP C[N@H+]1CCC[C@H](NC(=O)[C@@H]2COC3(C[NH2+]C3)CN2)C1 ZINC001220156901 780314525 /nfs/dbraw/zinc/31/45/25/780314525.db2.gz PJUZMMZBAPWLIP-QWRGUYRKSA-N 2 1 268.361 -1.473 20 0 CAADMP [NH3+]CC[C@H]([NH3+])C(=O)N[C@@H]1COCCC12OCCO2 ZINC001220174310 780315846 /nfs/dbraw/zinc/31/58/46/780315846.db2.gz WVPRNKVKFAXDFX-DTWKUNHWSA-N 2 1 259.306 -1.689 20 0 CAADMP O=C(C[NH2+]C1CC[NH2+]CC1)N[C@H]1COCC[C@@H]1O ZINC001220181218 780317180 /nfs/dbraw/zinc/31/71/80/780317180.db2.gz FJWDHKFGMPHNPJ-QWRGUYRKSA-N 2 1 257.334 -1.406 20 0 CAADMP O=C(CN1CC[NH2+]CC1)NCC1([NH+]2CCCC2)COC1 ZINC001220197525 780318835 /nfs/dbraw/zinc/31/88/35/780318835.db2.gz IETUSVVWTQVEBZ-UHFFFAOYSA-N 2 1 282.388 -1.127 20 0 CAADMP O=C(NCC1([NH+]2CCCC2)COC1)[C@@H]1C[NH2+]C[C@H]1O ZINC001220197636 780319024 /nfs/dbraw/zinc/31/90/24/780319024.db2.gz MIVBERILZACURA-GHMZBOCLSA-N 2 1 269.345 -1.452 20 0 CAADMP O=C(C[NH2+]C1CC[NH2+]CC1)NC[C@H]1CNC(=O)C1 ZINC001220202976 780320765 /nfs/dbraw/zinc/32/07/65/780320765.db2.gz RTBFDMQAVMBQLJ-SECBINFHSA-N 2 1 254.334 -1.420 20 0 CAADMP C[NH+](C)CC1(C(=O)N[C@@H]2C[N@H+](CCO)C[C@@H]2O)CC1 ZINC001220227565 780322409 /nfs/dbraw/zinc/32/24/09/780322409.db2.gz UWZUKTZJUMFIOF-MNOVXSKESA-N 2 1 271.361 -1.518 20 0 CAADMP C[NH+](C)CC1(C(=O)N[C@@H]2C[N@@H+](CCO)C[C@@H]2O)CC1 ZINC001220227565 780322411 /nfs/dbraw/zinc/32/24/11/780322411.db2.gz UWZUKTZJUMFIOF-MNOVXSKESA-N 2 1 271.361 -1.518 20 0 CAADMP C[N@H+]1CCC[C@H]1CCNC(=O)[C@@H]1COC2(C[NH2+]C2)CN1 ZINC001220252062 780327066 /nfs/dbraw/zinc/32/70/66/780327066.db2.gz NDJNSZHSIBTLLB-RYUDHWBXSA-N 2 1 282.388 -1.083 20 0 CAADMP COC(=O)[C@@H]([NH3+])CCC(=O)NCCN(C)CC[NH3+] ZINC001220515981 780356354 /nfs/dbraw/zinc/35/63/54/780356354.db2.gz NOJMGOVVEYBXFL-VIFPVBQESA-N 2 1 260.338 -1.726 20 0 CAADMP C[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CCn2cncn2)C[C@@H]1O ZINC001220277313 780330172 /nfs/dbraw/zinc/33/01/72/780330172.db2.gz VPFYHAMOAMNLQB-NEPJUHHUSA-N 2 1 296.375 -1.609 20 0 CAADMP C[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@@H]1O ZINC001220277313 780330178 /nfs/dbraw/zinc/33/01/78/780330178.db2.gz VPFYHAMOAMNLQB-NEPJUHHUSA-N 2 1 296.375 -1.609 20 0 CAADMP C[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001220277320 780330294 /nfs/dbraw/zinc/33/02/94/780330294.db2.gz VWNMJLUHVFPREX-MXWKQRLJSA-N 2 1 259.350 -1.520 20 0 CAADMP O=C(N[C@@H](CO)Cc1cnc[nH]1)[C@H]1[NH2+]CC[C@H]1O ZINC001220291791 780331602 /nfs/dbraw/zinc/33/16/02/780331602.db2.gz XTWMGCDWZTVTBQ-BBBLOLIVSA-N 2 1 254.290 -1.848 20 0 CAADMP O=C(N[C@@H](CO)Cc1cnc[nH]1)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001220291921 780331652 /nfs/dbraw/zinc/33/16/52/780331652.db2.gz YKWWPQOQMTZAAA-MPKXVKKWSA-N 3 1 293.371 -1.372 20 0 CAADMP C[N@H+]1CCCN(CCNC(=O)[C@@]2(N)CC[NH2+]C2)CC1 ZINC001220306278 780333111 /nfs/dbraw/zinc/33/31/11/780333111.db2.gz HQBJQRGSZLGSMC-CYBMUJFWSA-N 2 1 269.393 -1.569 20 0 CAADMP C[N@@H+]1CCCN(CCNC(=O)[C@@H]2COCC[NH2+]2)CC1 ZINC001220307412 780333131 /nfs/dbraw/zinc/33/31/31/780333131.db2.gz YMEPATQHMAUMNP-LBPRGKRZSA-N 2 1 270.377 -1.272 20 0 CAADMP C[N@H+]1CCCN(CCNC(=O)[C@@H]2COCC[NH2+]2)CC1 ZINC001220307412 780333135 /nfs/dbraw/zinc/33/31/35/780333135.db2.gz YMEPATQHMAUMNP-LBPRGKRZSA-N 2 1 270.377 -1.272 20 0 CAADMP N[C@@H]1C[NH2+][C@H](C(=O)NCc2ncn3c2C[NH2+]CCC3)C1 ZINC001220312674 780333402 /nfs/dbraw/zinc/33/34/02/780333402.db2.gz BAMQZIDNAYYZPZ-UWVGGRQHSA-N 2 1 278.360 -1.318 20 0 CAADMP C[N@H+]1CCCN(CCNC(=O)[C@@H]2C[NH2+]C[C@@H]2O)CC1 ZINC001220306221 780333414 /nfs/dbraw/zinc/33/34/14/780333414.db2.gz FCFHKVKXGPQPMY-NEPJUHHUSA-N 2 1 270.377 -1.680 20 0 CAADMP C[N@H+]1CCCN(CCNC(=O)[C@@H]2C[C@@H]([NH3+])CN2)CC1 ZINC001220307221 780333450 /nfs/dbraw/zinc/33/34/50/780333450.db2.gz VONILXBEWDFYKS-NEPJUHHUSA-N 2 1 269.393 -1.571 20 0 CAADMP C[N@@H+]1CCCN(CCNC(=O)[C@@H]2C[C@@H](N)C[NH2+]2)CC1 ZINC001220307221 780333455 /nfs/dbraw/zinc/33/34/55/780333455.db2.gz VONILXBEWDFYKS-NEPJUHHUSA-N 2 1 269.393 -1.571 20 0 CAADMP C[N@H+]1CCCN(CCNC(=O)[C@@H]2C[C@@H](N)C[NH2+]2)CC1 ZINC001220307221 780333460 /nfs/dbraw/zinc/33/34/60/780333460.db2.gz VONILXBEWDFYKS-NEPJUHHUSA-N 2 1 269.393 -1.571 20 0 CAADMP C[N@H+]1CCCN(CCNC(=O)[C@]2(N)CCC[NH2+]C2)CC1 ZINC001220306865 780333476 /nfs/dbraw/zinc/33/34/76/780333476.db2.gz PXTMCPFHSSMBEU-AWEZNQCLSA-N 2 1 283.420 -1.179 20 0 CAADMP C[N@H+]1CCCN(CCNC(=O)[C@H]2C[NH2+]C[C@@H]2O)CC1 ZINC001220306223 780333710 /nfs/dbraw/zinc/33/37/10/780333710.db2.gz FCFHKVKXGPQPMY-RYUDHWBXSA-N 2 1 270.377 -1.680 20 0 CAADMP C[N@H+]1CCCN(CCNC(=O)[C@H]2C[NH2+]C[C@H]2O)CC1 ZINC001220306222 780333796 /nfs/dbraw/zinc/33/37/96/780333796.db2.gz FCFHKVKXGPQPMY-NWDGAFQWSA-N 2 1 270.377 -1.680 20 0 CAADMP C[N@H+]1CCCN(CCNC(=O)[C@H]2[NH2+]CC[C@H]2O)CC1 ZINC001220307189 780334062 /nfs/dbraw/zinc/33/40/62/780334062.db2.gz UDDWFTLUMCVCMC-NEPJUHHUSA-N 2 1 270.377 -1.537 20 0 CAADMP C[N@H+]1CCCN(CCNC(=O)[C@@]2(N)CCC[NH2+]C2)CC1 ZINC001220306866 780334232 /nfs/dbraw/zinc/33/42/32/780334232.db2.gz PXTMCPFHSSMBEU-CQSZACIVSA-N 2 1 283.420 -1.179 20 0 CAADMP O=C(N[C@H]1CO[C@]2(C1)CCC[NH2+]C2)[C@@H]1COC[NH2+]1 ZINC001220315849 780335412 /nfs/dbraw/zinc/33/54/12/780335412.db2.gz JKWWGKBPYFIOMS-SCVCMEIPSA-N 2 1 255.318 -1.040 20 0 CAADMP O=C(N[C@@H]1CO[C@]2(C1)CCC[NH2+]C2)[C@@H]1COC[NH2+]1 ZINC001220315848 780335633 /nfs/dbraw/zinc/33/56/33/780335633.db2.gz JKWWGKBPYFIOMS-NHCYSSNCSA-N 2 1 255.318 -1.040 20 0 CAADMP N[C@@H]1C[NH2+][C@H](C(=O)N[C@@H]2CO[C@]3(C2)CCC[NH2+]C3)C1 ZINC001220320778 780336082 /nfs/dbraw/zinc/33/60/82/780336082.db2.gz PHGARHDRAUHMOF-ZPFDUUQYSA-N 2 1 268.361 -1.297 20 0 CAADMP [NH3+]CCCNCC(=O)N[C@@H]1CO[C@]2(C1)CCC[NH2+]C2 ZINC001220319755 780336196 /nfs/dbraw/zinc/33/61/96/780336196.db2.gz JHSWZOKHEJSFMO-AAEUAGOBSA-N 2 1 270.377 -1.048 20 0 CAADMP [NH3+]CCCNCC(=O)N[C@H]1CO[C@@]2(C1)CCC[NH2+]C2 ZINC001220319758 780336419 /nfs/dbraw/zinc/33/64/19/780336419.db2.gz JHSWZOKHEJSFMO-DGCLKSJQSA-N 2 1 270.377 -1.048 20 0 CAADMP N[C@@H]1C[NH2+][C@H](C(=O)N[C@H]2CO[C@]3(C2)CCC[NH2+]C3)C1 ZINC001220320775 780336600 /nfs/dbraw/zinc/33/66/00/780336600.db2.gz PHGARHDRAUHMOF-NOHGZBONSA-N 2 1 268.361 -1.297 20 0 CAADMP NC(=O)[C@@H](CO)NC(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001220328879 780337782 /nfs/dbraw/zinc/33/77/82/780337782.db2.gz DQAIHFAKSFXHFL-DTWKUNHWSA-N 2 1 273.337 -3.301 20 0 CAADMP [NH3+]CCSC[C@H]([NH3+])C(=O)NC[C@@H]1COCCN1 ZINC001220431341 780348217 /nfs/dbraw/zinc/34/82/17/780348217.db2.gz FNARBPARIDSVHK-BDAKNGLRSA-N 2 1 262.379 -1.890 20 0 CAADMP O=C(NC[C@H]1COCCN1)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220428872 780348459 /nfs/dbraw/zinc/34/84/59/780348459.db2.gz GVDVCELVUDAGRI-VHSXEESVSA-N 2 1 254.334 -2.100 20 0 CAADMP COC(=O)[C@@H]([NH3+])CCC(=O)NC[C@H]1COCC[NH2+]1 ZINC001220429477 780348469 /nfs/dbraw/zinc/34/84/69/780348469.db2.gz SCFCFBDWRWXVGH-IUCAKERBSA-N 2 1 259.306 -1.629 20 0 CAADMP [NH3+][C@@H](C(=O)NC[C@@H]1COCCN1)C1CC[NH2+]CC1 ZINC001220432102 780348604 /nfs/dbraw/zinc/34/86/04/780348604.db2.gz XWAGSQYORIHFPH-GHMZBOCLSA-N 2 1 256.350 -1.582 20 0 CAADMP O=C(NC[C@@H]1COCCN1)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220428870 780348677 /nfs/dbraw/zinc/34/86/77/780348677.db2.gz GVDVCELVUDAGRI-NXEZZACHSA-N 2 1 254.334 -2.100 20 0 CAADMP [NH3+][C@H](C(=O)NC[C@H]1COCCN1)C1CC[NH2+]CC1 ZINC001220432104 780348899 /nfs/dbraw/zinc/34/88/99/780348899.db2.gz XWAGSQYORIHFPH-QWRGUYRKSA-N 2 1 256.350 -1.582 20 0 CAADMP CC(C)(C)OC(=O)[C@H](CO)NC(=O)[C@@H]([NH3+])CC[NH3+] ZINC001220479733 780350919 /nfs/dbraw/zinc/35/09/19/780350919.db2.gz WBVARMXKKXKWJQ-YUMQZZPRSA-N 2 1 261.322 -1.519 20 0 CAADMP CC(C)[C@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)[C@@H]([NH3+])CC[NH3+])O1 ZINC001220481616 780353275 /nfs/dbraw/zinc/35/32/75/780353275.db2.gz LLEACFPTWOBOHT-XNDJQWLSSA-N 3 1 274.365 -1.497 20 0 CAADMP CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)[C@@H]2COCC[NH2+]2)O1 ZINC001220481654 780353492 /nfs/dbraw/zinc/35/34/92/780353492.db2.gz MOPRUCUIVPHGFR-SBFPOUOMSA-N 2 1 287.360 -1.184 20 0 CAADMP [NH3+]CCOCCOCCNC(=O)[C@@H]([NH3+])Cc1c[nH]cn1 ZINC001220517438 780356394 /nfs/dbraw/zinc/35/63/94/780356394.db2.gz LQYMNKFLXKOXPG-NSHDSACASA-N 2 1 285.348 -1.612 20 0 CAADMP CN(CC[NH3+])CCNC(=O)[C@@H]([NH3+])Cc1c[nH]cn1 ZINC001220515812 780356938 /nfs/dbraw/zinc/35/69/38/780356938.db2.gz LNBFGXROMKOGBC-JTQLQIEISA-N 2 1 254.338 -1.714 20 0 CAADMP [NH3+]CCCNCC(=O)NCCOCCOCC[NH3+] ZINC001220519088 780358400 /nfs/dbraw/zinc/35/84/00/780358400.db2.gz AOLGVXCSLVWLTA-UHFFFAOYSA-N 2 1 262.354 -1.967 20 0 CAADMP CCOC(=O)C1=C(NC(=O)[C@@H]2C[C@H](N)C[NH2+]2)CC[NH2+]C1 ZINC001220523605 780358877 /nfs/dbraw/zinc/35/88/77/780358877.db2.gz RZDQRFJQKGGRJV-KWQFWETISA-N 2 1 282.344 -1.398 20 0 CAADMP CN(CC[NH3+])CCNC(=O)[C@@H](N)CN1CCC([NH3+])CC1 ZINC001220517693 780359437 /nfs/dbraw/zinc/35/94/37/780359437.db2.gz WFBLXXAJFZJFFP-LBPRGKRZSA-N 2 1 286.424 -2.257 20 0 CAADMP CCOC(=O)C1=C(NC(=O)CNCCC[NH3+])CC[NH2+]C1 ZINC001220524076 780360994 /nfs/dbraw/zinc/36/09/94/780360994.db2.gz YVTAKKKJZNJOSA-UHFFFAOYSA-N 2 1 284.360 -1.149 20 0 CAADMP O=C(NCC[NH+]1CC2(COC2)C1)[C@@H]1C[NH2+]C[C@H]1O ZINC001220570791 780362648 /nfs/dbraw/zinc/36/26/48/780362648.db2.gz AIHJQGKMVKYCKE-NXEZZACHSA-N 2 1 255.318 -1.985 20 0 CAADMP N[C@H]1C[NH2+]C[C@@H]1C(=O)NCC[NH+]1CC2(COC2)C1 ZINC001220571221 780363479 /nfs/dbraw/zinc/36/34/79/780363479.db2.gz MARUTAGPBLHKKJ-UWVGGRQHSA-N 2 1 254.334 -2.019 20 0 CAADMP O=C(NCC[NH+]1CC2(COC2)C1)[C@H]1COC2(C[NH2+]C2)CN1 ZINC001220571364 780364047 /nfs/dbraw/zinc/36/40/47/780364047.db2.gz PMYXPJCUMXMQTB-LLVKDONJSA-N 2 1 296.371 -2.235 20 0 CAADMP O=C(C[C@H]1COCC[NH2+]1)NCC[NH+]1CC2(COC2)C1 ZINC001220571236 780364424 /nfs/dbraw/zinc/36/44/24/780364424.db2.gz MKGZWVMSQGZLTN-NSHDSACASA-N 2 1 269.345 -1.187 20 0 CAADMP CCOC(=O)CN(CC[NH3+])C(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H](N)C2 ZINC001220583651 780367108 /nfs/dbraw/zinc/36/71/08/780367108.db2.gz SMRXZZCEYVGYLQ-BREBYQMCSA-N 2 1 284.360 -1.441 20 0 CAADMP CCOC(=O)CN(CC[NH3+])C(=O)[C@H]([NH3+])Cc1c[nH]cn1 ZINC001220583097 780367336 /nfs/dbraw/zinc/36/73/36/780367336.db2.gz DHZRNAIMNFEVCP-SNVBAGLBSA-N 2 1 283.332 -1.370 20 0 CAADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](C[C@@H](C)O)C[C@@H]1O ZINC001220582785 780367487 /nfs/dbraw/zinc/36/74/87/780367487.db2.gz DPZFKDSBXXYSMO-UTUOFQBUSA-N 2 1 273.377 -1.130 20 0 CAADMP CCOC(=O)CN(CC[NH3+])C(=O)[C@@H]1C[C@@H](N)C[NH2+]1 ZINC001220583584 780368578 /nfs/dbraw/zinc/36/85/78/780368578.db2.gz PBSSDEIAAFAVIY-BDAKNGLRSA-N 2 1 258.322 -1.974 20 0 CAADMP CN1CCC[C@H](NC(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)C1=O ZINC001220590854 780369137 /nfs/dbraw/zinc/36/91/37/780369137.db2.gz SPVLWFKYWPLSSD-NEPJUHHUSA-N 2 1 297.403 -1.526 20 0 CAADMP CC(=O)N1CC(NC(=O)C[NH2+]C2CC[NH2+]CC2)C1 ZINC001220596876 780369517 /nfs/dbraw/zinc/36/95/17/780369517.db2.gz LQXZGWNBKNJMGF-UHFFFAOYSA-N 2 1 254.334 -1.325 20 0 CAADMP CN1CCC[C@H](NC(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)C1=O ZINC001220590858 780370642 /nfs/dbraw/zinc/37/06/42/780370642.db2.gz SPVLWFKYWPLSSD-RYUDHWBXSA-N 2 1 297.403 -1.526 20 0 CAADMP CC[N@@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001220764609 780379730 /nfs/dbraw/zinc/37/97/30/780379730.db2.gz QEQBOZDWVRPDKN-MNOVXSKESA-N 2 1 259.350 -1.254 20 0 CAADMP C[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001220768526 780379814 /nfs/dbraw/zinc/37/98/14/780379814.db2.gz QDHOFVYUVQEQGN-UTUOFQBUSA-N 2 1 289.376 -1.893 20 0 CAADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CCO)C[C@@H]1O ZINC001220816994 780382122 /nfs/dbraw/zinc/38/21/22/780382122.db2.gz KMGLXDPQQJVBNN-NEPJUHHUSA-N 2 1 273.377 -1.128 20 0 CAADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CN([C@@H](C)C(N)=O)C[C@@H]1O ZINC001220822463 780382205 /nfs/dbraw/zinc/38/22/05/780382205.db2.gz ZMVXTJWGHAPYTA-AXFHLTTASA-N 2 1 286.376 -1.637 20 0 CAADMP CCOC(=O)C1=C(NC(=O)[C@@H]2COC[NH2+]2)C[NH2+]C1 ZINC001220826994 780382532 /nfs/dbraw/zinc/38/25/32/780382532.db2.gz DWFWBYZTDAUYIQ-VIFPVBQESA-N 2 1 255.274 -1.531 20 0 CAADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CN([C@@H]2CCNC2=O)C[C@@H]1O ZINC001220817438 780382335 /nfs/dbraw/zinc/38/23/35/780382335.db2.gz WLYALNTUKRFCIW-UTUOFQBUSA-N 2 1 298.387 -1.622 20 0 CAADMP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CCCO)C[C@@H]1O ZINC001220821636 780382630 /nfs/dbraw/zinc/38/26/30/780382630.db2.gz CSBIAXANEXPOES-NEPJUHHUSA-N 2 1 273.377 -1.128 20 0 CAADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CN([C@H]2CCNC2=O)C[C@@H]1O ZINC001220817439 780383435 /nfs/dbraw/zinc/38/34/35/780383435.db2.gz WLYALNTUKRFCIW-WOPDTQHZSA-N 2 1 298.387 -1.622 20 0 CAADMP CCOC(=O)C1=C(NC(=O)[C@@H]2C[N@@H+](C)CCN2C)C[NH2+]C1 ZINC001220830031 780384186 /nfs/dbraw/zinc/38/41/86/780384186.db2.gz KVOWKZAPDSXIHE-LBPRGKRZSA-N 2 1 296.371 -1.231 20 0 CAADMP CCOC(=O)C1=C(NC(=O)[C@@]2(C)COCC[NH2+]2)C[NH2+]C1 ZINC001220829296 780385023 /nfs/dbraw/zinc/38/50/23/780385023.db2.gz ZKQNVLOCWBNCCR-CYBMUJFWSA-N 2 1 283.328 -1.099 20 0 CAADMP CCOC(=O)C1(NC(=O)[C@@H]([NH3+])CSCC[NH3+])CNC1 ZINC001220851073 780385828 /nfs/dbraw/zinc/38/58/28/780385828.db2.gz GLIRQBBTYREZLZ-QMMMGPOBSA-N 2 1 290.389 -1.973 20 0 CAADMP CCOC(=O)C1(NC(=O)[C@H]([NH3+])CCC[NH3+])CNC1 ZINC001220851466 780387837 /nfs/dbraw/zinc/38/78/37/780387837.db2.gz XBESAKLGHCFTQG-MRVPVSSYSA-N 2 1 258.322 -1.926 20 0 CAADMP C[C@@H]1[NH2+]CCC[C@H]1C(=O)NCCN1CC[NH2+]CC1=O ZINC001220871924 780387944 /nfs/dbraw/zinc/38/79/44/780387944.db2.gz CTQORKCLVXVPSL-WDEREUQCSA-N 2 1 268.361 -1.078 20 0 CAADMP [NH3+]CCC[C@@H]([NH3+])C(=O)NCCN1CC[NH2+]CC1=O ZINC001220872079 780388521 /nfs/dbraw/zinc/38/85/21/780388521.db2.gz JLUUZHSRBUHIJC-SECBINFHSA-N 3 1 257.338 -2.399 20 0 CAADMP C[NH+](C)CCCC[C@H]([NH3+])C(=O)NCCN1CC[NH2+]CC1=O ZINC001220871858 780388767 /nfs/dbraw/zinc/38/87/67/780388767.db2.gz AGHBGUXSDPAMMH-LBPRGKRZSA-N 3 1 299.419 -1.406 20 0 CAADMP CCOC(=O)C1(NC(=O)[C@@H]([NH3+])CCCC[NH3+])CNC1 ZINC001220851348 780389045 /nfs/dbraw/zinc/38/90/45/780389045.db2.gz SBFVTFGDCUAQAQ-VIFPVBQESA-N 2 1 272.349 -1.536 20 0 CAADMP [NH3+][C@@H]1CCC[C@H]1C(=O)NCCN1CC[NH2+]CC1=O ZINC001220875103 780389836 /nfs/dbraw/zinc/38/98/36/780389836.db2.gz STQNBKAYGGGNHP-NXEZZACHSA-N 2 1 254.334 -1.338 20 0 CAADMP O=C(NCCN1CC[NH2+]CC1=O)[C@H]1[NH2+]CC[C@H]1O ZINC001220874406 780389854 /nfs/dbraw/zinc/38/98/54/780389854.db2.gz IRKOZBCNVXBRCF-SCZZXKLOSA-N 2 1 256.306 -2.743 20 0 CAADMP O=C(NCCN1CC[NH2+]CC1=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC001220875148 780389887 /nfs/dbraw/zinc/38/98/87/780389887.db2.gz VASBDNHOTZOCAM-JZYVYDRUSA-N 2 1 252.318 -2.000 20 0 CAADMP [NH3+][C@H](C(=O)NCCN1CC[NH2+]CC1=O)C1CCC(O)CC1 ZINC001220874723 780390073 /nfs/dbraw/zinc/39/00/73/780390073.db2.gz NNUGJALKLIHVMP-XIVSLSHWSA-N 2 1 298.387 -1.587 20 0 CAADMP NC1(C(=O)NCCN2CC[NH2+]CC2=O)CC[NH2+]CC1 ZINC001220874938 780390254 /nfs/dbraw/zinc/39/02/54/780390254.db2.gz RJBGJDMFASUHIF-UHFFFAOYSA-N 2 1 269.349 -2.385 20 0 CAADMP O=C(NCCN1CC[NH2+]CC1=O)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220872248 780390270 /nfs/dbraw/zinc/39/02/70/780390270.db2.gz QJVXDPVHDGYMAW-JTQLQIEISA-N 3 1 281.360 -2.657 20 0 CAADMP O=C(C[C@H]1COCC[NH2+]1)NCCN1CC[NH2+]CC1=O ZINC001220874939 780390324 /nfs/dbraw/zinc/39/03/24/780390324.db2.gz RKDMLMGZPCVUCF-JTQLQIEISA-N 2 1 270.333 -2.087 20 0 CAADMP C[C@@H]1CC[NH2+][C@@H](C(=O)NCCN2CC[NH2+]CC2=O)C1 ZINC001220872230 780390347 /nfs/dbraw/zinc/39/03/47/780390347.db2.gz PGNRJHBKMXQTJD-GHMZBOCLSA-N 2 1 268.361 -1.078 20 0 CAADMP O=C(NCCN1CC[NH2+]CC1=O)[C@H]1C[NH2+]C[C@@H]1O ZINC001220874908 780390562 /nfs/dbraw/zinc/39/05/62/780390562.db2.gz QQNCXOJWBVBGJH-IUCAKERBSA-N 2 1 256.306 -2.885 20 0 CAADMP N[C@@]1(C(=O)NCCN2CC[NH2+]CC2=O)CCC[NH2+]C1 ZINC001220874648 780390900 /nfs/dbraw/zinc/39/09/00/780390900.db2.gz KDPNKCLXUREJID-LBPRGKRZSA-N 2 1 269.349 -2.385 20 0 CAADMP O=C(NCCN1CC[NH2+]CC1=O)[C@@H]1C[NH2+]CCN1 ZINC001220875140 780390922 /nfs/dbraw/zinc/39/09/22/780390922.db2.gz UODYBEGCFTWSNS-VIFPVBQESA-N 2 1 255.322 -2.904 20 0 CAADMP [NH3+]CCCC[C@H]([NH3+])CC(=O)NCCN1CC[NH2+]CC1=O ZINC001220874218 780390972 /nfs/dbraw/zinc/39/09/72/780390972.db2.gz FFODRDDOMSHRDA-NSHDSACASA-N 3 1 285.392 -1.619 20 0 CAADMP O=C(NCCN1CC[NH2+]CC1=O)[C@H]1C[NH2+]C[C@H]1O ZINC001220874907 780391025 /nfs/dbraw/zinc/39/10/25/780391025.db2.gz QQNCXOJWBVBGJH-DTWKUNHWSA-N 2 1 256.306 -2.885 20 0 CAADMP O=C(NCCN1CC[NH2+]CC1=O)[C@]12C[NH2+]C[C@@H]1CCN2 ZINC001220872504 780391108 /nfs/dbraw/zinc/39/11/08/780391108.db2.gz XAXUNRQZOGABRJ-GWCFXTLKSA-N 2 1 281.360 -2.514 20 0 CAADMP O=C(C=C1CC[NH2+]CC1)NCCN1CC[NH2+]CC1=O ZINC001220875266 780391200 /nfs/dbraw/zinc/39/12/00/780391200.db2.gz ZYMOIKVDGHXQAP-UHFFFAOYSA-N 2 1 266.345 -1.156 20 0 CAADMP [NH3+][C@@H](C(=O)NCCN1CC[NH2+]CC1=O)C1CC[NH2+]CC1 ZINC001220874911 780391245 /nfs/dbraw/zinc/39/12/45/780391245.db2.gz QSRKEZSQRZVDMF-GFCCVEGCSA-N 3 1 283.376 -2.139 20 0 CAADMP N[C@]1(C(=O)NCCN2CC[NH2+]CC2=O)CC[NH2+]C1 ZINC001220874842 780391325 /nfs/dbraw/zinc/39/13/25/780391325.db2.gz NZGZZWHQIXPIDP-LLVKDONJSA-N 2 1 255.322 -2.775 20 0 CAADMP O=C(NCCN1CC[NH2+]CC1=O)[C@@]12C[NH2+]C[C@@H]1CCN2 ZINC001220872505 780391563 /nfs/dbraw/zinc/39/15/63/780391563.db2.gz XAXUNRQZOGABRJ-GXFFZTMASA-N 2 1 281.360 -2.514 20 0 CAADMP O=C(NCCN1CC[NH2+]CC1=O)[C@H]1COC2(C[NH2+]C2)CN1 ZINC001220872104 780391646 /nfs/dbraw/zinc/39/16/46/780391646.db2.gz KHIRKGRJOPGLAQ-SNVBAGLBSA-N 2 1 297.359 -3.135 20 0 CAADMP N[C@H](CN1CCC([NH3+])CC1)C(=O)N[C@H]1CCC[NH2+]C1 ZINC001220889249 780394571 /nfs/dbraw/zinc/39/45/71/780394571.db2.gz GQXBGKZXFBUCBE-NWDGAFQWSA-N 2 1 269.393 -1.395 20 0 CAADMP N[C@@H](CN1CCC([NH3+])CC1)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC001220889248 780394917 /nfs/dbraw/zinc/39/49/17/780394917.db2.gz GQXBGKZXFBUCBE-NEPJUHHUSA-N 2 1 269.393 -1.395 20 0 CAADMP N[C@H]1C[NH2+][C@H](C(=O)NCCN(CC[NH3+])N(O)N=O)C1 ZINC001220903318 780395072 /nfs/dbraw/zinc/39/50/72/780395072.db2.gz PQWJNMWDNJKMRI-SFYZADRCSA-N 2 1 275.313 -2.660 20 0 CAADMP O=C(C[NH2+]C1CC[NH2+]CC1)NCCO[C@H]1CC[NH2+]C1 ZINC001220937290 780396902 /nfs/dbraw/zinc/39/69/02/780396902.db2.gz NUSQHLCBOQYONR-LBPRGKRZSA-N 3 1 270.377 -1.177 20 0 CAADMP COC(=O)[C@@H]([NH3+])CCC(=O)NCCO[C@H]1CC[NH2+]C1 ZINC001220937489 780399649 /nfs/dbraw/zinc/39/96/49/780399649.db2.gz STVLSVLTMPKFHE-UWVGGRQHSA-N 2 1 273.333 -1.238 20 0 CAADMP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@@H+](C[C@@H](C)O)C[C@@H]1O ZINC001221089676 780404496 /nfs/dbraw/zinc/40/44/96/780404496.db2.gz MACLMMFWXSUYTQ-UTUOFQBUSA-N 2 1 273.377 -1.131 20 0 CAADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@@H](C)O)C[C@@H]1O ZINC001221089676 780404498 /nfs/dbraw/zinc/40/44/98/780404498.db2.gz MACLMMFWXSUYTQ-UTUOFQBUSA-N 2 1 273.377 -1.131 20 0 CAADMP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@@H](C)O)C[C@@H]1O ZINC001221089676 780404500 /nfs/dbraw/zinc/40/45/00/780404500.db2.gz MACLMMFWXSUYTQ-UTUOFQBUSA-N 2 1 273.377 -1.131 20 0 CAADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CCCO)C[C@@H]1O ZINC001221091259 780404565 /nfs/dbraw/zinc/40/45/65/780404565.db2.gz HWANIJFEHSNSFV-NEPJUHHUSA-N 2 1 273.377 -1.130 20 0 CAADMP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@H+](CCCO)C[C@@H]1O ZINC001221091259 780404568 /nfs/dbraw/zinc/40/45/68/780404568.db2.gz HWANIJFEHSNSFV-NEPJUHHUSA-N 2 1 273.377 -1.130 20 0 CAADMP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CCCO)C[C@@H]1O ZINC001221091259 780404570 /nfs/dbraw/zinc/40/45/70/780404570.db2.gz HWANIJFEHSNSFV-NEPJUHHUSA-N 2 1 273.377 -1.130 20 0 CAADMP CC(C)(C)[NH+]1CC(NC(=O)[C@@H]2COC3(C[NH2+]C3)CN2)C1 ZINC001221194245 780406893 /nfs/dbraw/zinc/40/68/93/780406893.db2.gz NXRHCVJAYDURJV-NSHDSACASA-N 2 1 282.388 -1.084 20 0 CAADMP COC(=O)[C@H](CCC[NH3+])NC(=O)[C@@H]1COCC[NH2+]1 ZINC001221190711 780406900 /nfs/dbraw/zinc/40/69/00/780406900.db2.gz ZGMPHQJAMUCLMX-IUCAKERBSA-N 2 1 259.306 -1.629 20 0 CAADMP CCCC[C@H](NC(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1)C(N)=O ZINC001221234077 780407086 /nfs/dbraw/zinc/40/70/86/780407086.db2.gz BIOHFTKAUZGPAD-RYUDHWBXSA-N 2 1 299.419 -1.103 20 0 CAADMP C[N@H+]1CCC[C@@](C)(NC(=O)[C@@H]2COC3(C[NH2+]C3)CN2)C1 ZINC001221240827 780407212 /nfs/dbraw/zinc/40/72/12/780407212.db2.gz DKEPLOZLWJQYFZ-WCQYABFASA-N 2 1 282.388 -1.083 20 0 CAADMP COC(=O)[C@H](CCC[NH3+])NC(=O)CNCCC[NH3+] ZINC001221190622 780407349 /nfs/dbraw/zinc/40/73/49/780407349.db2.gz VVFOMXKGNVSWRQ-VIFPVBQESA-N 2 1 260.338 -1.679 20 0 CAADMP C[N@H+]1CCC[C@](C)(NC(=O)[C@@H]2COC3(C[NH2+]C3)CN2)C1 ZINC001221240825 780407390 /nfs/dbraw/zinc/40/73/90/780407390.db2.gz DKEPLOZLWJQYFZ-AAEUAGOBSA-N 2 1 282.388 -1.083 20 0 CAADMP CC(C)[C@]1(C(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@@H]32)CCC[NH2+]C1 ZINC001221266587 780411083 /nfs/dbraw/zinc/41/10/83/780411083.db2.gz XMBALPAYNZUMEM-FMSGJZPZSA-N 2 1 296.419 -1.469 20 0 CAADMP C[NH+](C)CCCC[C@H]([NH3+])C(=O)N1CN[C@H]([NH3+])[C@@H]2NCN[C@@H]21 ZINC001221266112 780411105 /nfs/dbraw/zinc/41/11/05/780411105.db2.gz SJSMAHGCUJRQSF-FIQHERPVSA-N 3 1 299.423 -2.435 20 0 CAADMP [NH3+][C@@H]1NCN(C(=O)[C@@H]2CC[NH2+]C[C@@H]2F)[C@H]2NCN[C@H]21 ZINC001221265324 780411121 /nfs/dbraw/zinc/41/11/21/780411121.db2.gz KDGRUPYTCOLCTM-SOYHJAILSA-N 2 1 272.328 -2.547 20 0 CAADMP [NH3+][C@@H]1NCN(C(=O)C=C2CC[NH2+]CC2)[C@H]2NCN[C@H]21 ZINC001221266531 780411180 /nfs/dbraw/zinc/41/11/80/780411180.db2.gz WWTIXXQOVDMVCQ-QJPTWQEYSA-N 2 1 266.349 -2.185 20 0 CAADMP [NH3+][C@@H]1NCN(C(=O)[C@@H]2C[C@@H](F)CC[NH2+]2)[C@H]2NCN[C@H]21 ZINC001221265327 780411239 /nfs/dbraw/zinc/41/12/39/780411239.db2.gz KFBXJJVBMHOGLQ-RXKWGBCNSA-N 2 1 272.328 -2.404 20 0 CAADMP [NH3+][C@@H]1NCN(C(=O)[C@@H]2CCCC[NH2+]2)[C@H]2NCN[C@H]21 ZINC001221267056 780411619 /nfs/dbraw/zinc/41/16/19/780411619.db2.gz ZXOYDIHTLVATKB-AXTSPUMRSA-N 2 1 254.338 -2.352 20 0 CAADMP [NH3+][C@@H]1NCN(C(=O)[C@@H]2C[C@@H](F)CC[NH2+]2)[C@@H]2NCN[C@@H]21 ZINC001221265326 780411422 /nfs/dbraw/zinc/41/14/22/780411422.db2.gz KFBXJJVBMHOGLQ-OEZYJKACSA-N 2 1 272.328 -2.404 20 0 CAADMP C[NH+](C)CCCC[C@H]([NH3+])C(=O)N1CN[C@H]([NH3+])[C@H]2NCN[C@@H]21 ZINC001221266114 780411503 /nfs/dbraw/zinc/41/15/03/780411503.db2.gz SJSMAHGCUJRQSF-WHOHXGKFSA-N 3 1 299.423 -2.435 20 0 CAADMP C[NH+](C)CCCC[C@H]([NH3+])C(=O)N1CN[C@H]([NH3+])[C@H]2NCN[C@H]21 ZINC001221266113 780411521 /nfs/dbraw/zinc/41/15/21/780411521.db2.gz SJSMAHGCUJRQSF-USZNOCQGSA-N 3 1 299.423 -2.435 20 0 CAADMP [NH3+]CCCCCCCC(=O)N1CN[C@H]([NH3+])[C@@H]2NCN[C@@H]21 ZINC001221265565 780411532 /nfs/dbraw/zinc/41/15/32/780411532.db2.gz MLEFVEOVNYMWRR-RWMBFGLXSA-N 2 1 284.408 -1.195 20 0 CAADMP CC(C)[C@]1(C(=O)N2CN[C@H]([NH3+])[C@H]3NCN[C@H]32)CCC[NH2+]C1 ZINC001221266590 780411558 /nfs/dbraw/zinc/41/15/58/780411558.db2.gz XMBALPAYNZUMEM-UHXUPSOCSA-N 2 1 296.419 -1.469 20 0 CAADMP [NH3+][C@@H]1NCN(C(=O)C2CC[NH2+]CC2)[C@H]2NCN[C@H]21 ZINC001221265392 780411807 /nfs/dbraw/zinc/41/18/07/780411807.db2.gz LGJFLBBETATCEX-IVZWLZJFSA-N 2 1 254.338 -2.495 20 0 CAADMP [NH3+][C@@H]1NCN(C(=O)[C@@H]2CC[NH2+]C[C@@H]2F)[C@H]2NCN[C@@H]21 ZINC001221265322 780411838 /nfs/dbraw/zinc/41/18/38/780411838.db2.gz KDGRUPYTCOLCTM-JDDHQFAOSA-N 2 1 272.328 -2.547 20 0 CAADMP [NH3+]CCCCCCCC(=O)N1CN[C@H]([NH3+])[C@H]2NCN[C@H]21 ZINC001221265562 780411890 /nfs/dbraw/zinc/41/18/90/780411890.db2.gz MLEFVEOVNYMWRR-AGIUHOORSA-N 2 1 284.408 -1.195 20 0 CAADMP [NH3+][C@@H]1NCN(C(=O)C[C@@H]2CCC[NH2+]C2)[C@H]2NCN[C@@H]21 ZINC001221265917 780411897 /nfs/dbraw/zinc/41/18/97/780411897.db2.gz QKBULJFRUWJCBQ-JTLRNRKASA-N 2 1 268.365 -2.105 20 0 CAADMP CC(C)(C)[C@H]([NH3+])CC(=O)N1CN[C@H]([NH3+])[C@@H]2NCN[C@@H]21 ZINC001221265355 780411919 /nfs/dbraw/zinc/41/19/19/780411919.db2.gz KMYSHBZHCVFARV-GRLWKWRFSA-N 2 1 270.381 -1.731 20 0 CAADMP [NH3+][C@@H]1NCN(C(=O)[C@@H]2CCCC[NH2+]2)[C@@H]2NCN[C@@H]21 ZINC001221267058 780411938 /nfs/dbraw/zinc/41/19/38/780411938.db2.gz ZXOYDIHTLVATKB-JLIMGVALSA-N 2 1 254.338 -2.352 20 0 CAADMP C[NH+](C)CCCC[C@H]([NH3+])C(=O)N1CN[C@H]([NH3+])[C@@H]2NCN[C@H]21 ZINC001221266108 780411954 /nfs/dbraw/zinc/41/19/54/780411954.db2.gz SJSMAHGCUJRQSF-BJDJZHNGSA-N 3 1 299.423 -2.435 20 0 CAADMP CC[C@H](C)[C@@H]([NH3+])CC(=O)N1CN[C@H]([NH3+])[C@@H]2NCN[C@H]21 ZINC001221266562 780411983 /nfs/dbraw/zinc/41/19/83/780411983.db2.gz XDHUXFJKXDHKBO-ARACIDTASA-N 2 1 270.381 -1.731 20 0 CAADMP O=C(C[NH2+]C1CC[NH2+]CC1)NC1=CC(=O)NCC1 ZINC001221316655 780414222 /nfs/dbraw/zinc/41/42/22/780414222.db2.gz MCZWMCSYGLHHKF-UHFFFAOYSA-N 2 1 252.318 -1.152 20 0 CAADMP N[C@@H](CN1CCC([NH3+])CC1)C(=O)N[C@@H]1C[NH2+]CC[C@H]1F ZINC001221365404 780417144 /nfs/dbraw/zinc/41/71/44/780417144.db2.gz AXYFTAVJUJSCDO-GRYCIOLGSA-N 2 1 287.383 -1.447 20 0 CAADMP N[C@H](CN1CCC([NH3+])CC1)C(=O)N[C@@H]1C[NH2+]CC[C@H]1F ZINC001221365405 780417264 /nfs/dbraw/zinc/41/72/64/780417264.db2.gz AXYFTAVJUJSCDO-IJLUTSLNSA-N 2 1 287.383 -1.447 20 0 CAADMP C[NH+]1CCC(CO)(NC(=O)[C@@H]2COCC[NH2+]2)CC1 ZINC001221403042 780420148 /nfs/dbraw/zinc/42/01/48/780420148.db2.gz OZNHBYRPSGLFQN-JTQLQIEISA-N 2 1 257.334 -1.452 20 0 CAADMP C[N@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)CNC(=O)C[NH3+] ZINC000720880589 780431755 /nfs/dbraw/zinc/43/17/55/780431755.db2.gz PGZVWDSBBQGWPV-VHSXEESVSA-N 2 1 254.334 -1.244 20 0 CAADMP C[NH+](C)CCOCC(=O)NC1CC[NH+](CC(N)=O)CC1 ZINC001230048433 780455839 /nfs/dbraw/zinc/45/58/39/780455839.db2.gz BFFRCDCIAGSICH-UHFFFAOYSA-N 2 1 286.376 -1.370 20 0 CAADMP C(C[NH+]1CCNCC[NH2+]CCNCC1)[C@@H]1C[NH2+]CCO1 ZINC001235870000 780494936 /nfs/dbraw/zinc/49/49/36/780494936.db2.gz MBEFRGLKTPUQBS-CQSZACIVSA-N 3 1 285.436 -1.551 20 0 CAADMP COC(=O)[C@@H]1C[NH2+]CCN1Cc1cnc2n1CC[NH2+]C2 ZINC001236059517 780495118 /nfs/dbraw/zinc/49/51/18/780495118.db2.gz JFUQPVRAHULBIN-NSHDSACASA-N 2 1 279.344 -1.067 20 0 CAADMP C(C[NH+]1CCNCC[NH2+]CCNCC1)[C@H]1C[NH2+]CCO1 ZINC001235869997 780495332 /nfs/dbraw/zinc/49/53/32/780495332.db2.gz MBEFRGLKTPUQBS-AWEZNQCLSA-N 3 1 285.436 -1.551 20 0 CAADMP COC(=O)[C@@H]1C[NH2+]CCN1Cc1cn2c(n1)C[NH2+]CC2 ZINC001236054862 780495597 /nfs/dbraw/zinc/49/55/97/780495597.db2.gz IRQFOXSCAPTPDC-NSHDSACASA-N 2 1 279.344 -1.067 20 0 CAADMP [NH3+]CCCNC(=O)CN(CCC[NH3+])C[C@@H]1COCCN1 ZINC001236307540 780496343 /nfs/dbraw/zinc/49/63/43/780496343.db2.gz CIEPTFCBFLJMPP-GFCCVEGCSA-N 2 1 287.408 -1.909 20 0 CAADMP COC(=O)[C@@H]1C[N@H+](CC[C@H]2C[NH2+]CCO2)C[C@H]1N ZINC001236346137 780496724 /nfs/dbraw/zinc/49/67/24/780496724.db2.gz WWHXLAKDUKVXPX-HBNTYKKESA-N 2 1 257.334 -1.203 20 0 CAADMP COC(=O)[C@@H]1C[N@@H+](CC[C@H]2C[NH2+]CCO2)C[C@H]1N ZINC001236346137 780496729 /nfs/dbraw/zinc/49/67/29/780496729.db2.gz WWHXLAKDUKVXPX-HBNTYKKESA-N 2 1 257.334 -1.203 20 0 CAADMP COC(=O)[C@H]1CN(Cc2cn3c(n2)C[NH2+]CC3)C[C@H]1[NH3+] ZINC001236338955 780496923 /nfs/dbraw/zinc/49/69/23/780496923.db2.gz CGXIHVOALSHYBO-WDEREUQCSA-N 2 1 279.344 -1.082 20 0 CAADMP COC(=O)[C@@H]1C[N@H+](CC[C@H]2C[NH2+]CCO2)C[C@@H]1N ZINC001236346135 780496978 /nfs/dbraw/zinc/49/69/78/780496978.db2.gz WWHXLAKDUKVXPX-AXFHLTTASA-N 2 1 257.334 -1.203 20 0 CAADMP COC(=O)[C@@H]1C[N@@H+](CC[C@H]2C[NH2+]CCO2)C[C@@H]1N ZINC001236346135 780496980 /nfs/dbraw/zinc/49/69/80/780496980.db2.gz WWHXLAKDUKVXPX-AXFHLTTASA-N 2 1 257.334 -1.203 20 0 CAADMP COC(=O)[C@@H]1C[N@H+](CC[C@@H]2C[NH2+]CCO2)C[C@H]1N ZINC001236346136 780496999 /nfs/dbraw/zinc/49/69/99/780496999.db2.gz WWHXLAKDUKVXPX-GMTAPVOTSA-N 2 1 257.334 -1.203 20 0 CAADMP COC(=O)[C@@H]1C[N@@H+](CC[C@@H]2C[NH2+]CCO2)C[C@H]1N ZINC001236346136 780497002 /nfs/dbraw/zinc/49/70/02/780497002.db2.gz WWHXLAKDUKVXPX-GMTAPVOTSA-N 2 1 257.334 -1.203 20 0 CAADMP COC(=O)[C@@H]1CN(Cc2cn3c(n2)C[NH2+]CC3)C[C@@H]1[NH3+] ZINC001236338944 780497041 /nfs/dbraw/zinc/49/70/41/780497041.db2.gz CGXIHVOALSHYBO-MNOVXSKESA-N 2 1 279.344 -1.082 20 0 CAADMP COC(=O)[C@@H]1CN(Cc2cnc3n2CC[NH2+]C3)C[C@H]1[NH3+] ZINC001236362694 780497901 /nfs/dbraw/zinc/49/79/01/780497901.db2.gz UCLAIXLXBLYUHP-GHMZBOCLSA-N 2 1 279.344 -1.082 20 0 CAADMP COC(=O)[C@H]1CN(Cc2cnc3n2CC[NH2+]C3)C[C@H]1[NH3+] ZINC001236362703 780498066 /nfs/dbraw/zinc/49/80/66/780498066.db2.gz UCLAIXLXBLYUHP-WDEREUQCSA-N 2 1 279.344 -1.082 20 0 CAADMP COC(=O)[C@@H]1CN(Cc2cnc3n2CC[NH2+]C3)C[C@@H]1[NH3+] ZINC001236362699 780498109 /nfs/dbraw/zinc/49/81/09/780498109.db2.gz UCLAIXLXBLYUHP-MNOVXSKESA-N 2 1 279.344 -1.082 20 0 CAADMP C[N@H+]1CCC[C@H]1C(=O)NC[C@H](CO)[NH2+]CCCO ZINC001278054826 780501668 /nfs/dbraw/zinc/50/16/68/780501668.db2.gz WUOOKRVPAPDUKX-MNOVXSKESA-N 2 1 259.350 -1.470 20 0 CAADMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@H](CO)[NH2+]CCCO ZINC001278054825 780502190 /nfs/dbraw/zinc/50/21/90/780502190.db2.gz WUOOKRVPAPDUKX-GHMZBOCLSA-N 2 1 259.350 -1.470 20 0 CAADMP C[N@@H+](CCC[NH3+])CCCNS(=O)(=O)CC[NH3+] ZINC001238614538 780520548 /nfs/dbraw/zinc/52/05/48/780520548.db2.gz MDUWUAWNEHAAFH-UHFFFAOYSA-N 3 1 252.384 -1.465 20 0 CAADMP COC(=O)[C@H]([NH3+])CCNS(=O)(=O)CC1CC[NH2+]CC1 ZINC001238733640 780523335 /nfs/dbraw/zinc/52/33/35/780523335.db2.gz IFCYNYQVVVQIRJ-SNVBAGLBSA-N 2 1 293.389 -1.204 20 0 CAADMP O=S(=O)(CC1CC[NH2+]CC1)N1CC[NH2+][C@@H](CCO)C1 ZINC001239113977 780531237 /nfs/dbraw/zinc/53/12/37/780531237.db2.gz PRPPGNNMFDTIOS-LBPRGKRZSA-N 2 1 291.417 -1.028 20 0 CAADMP CC(C)(C)OC(=O)[C@@H](O)C[N@@H+]1C[C@H](O)[C@@H](C[NH3+])C1 ZINC001246020666 780538913 /nfs/dbraw/zinc/53/89/13/780538913.db2.gz JQLDKOLLJJPWFK-GUBZILKMSA-N 2 1 260.334 -1.060 20 0 CAADMP CC(C)(C)OC(=O)[C@@H](O)C[N@H+]1C[C@H](O)[C@@H](C[NH3+])C1 ZINC001246020666 780538922 /nfs/dbraw/zinc/53/89/22/780538922.db2.gz JQLDKOLLJJPWFK-GUBZILKMSA-N 2 1 260.334 -1.060 20 0 CAADMP O[C@H](C[NH2+][C@@H]1CC12C[NH2+]C2)CC1(O)CC[NH2+]CC1 ZINC001246010358 780539082 /nfs/dbraw/zinc/53/90/82/780539082.db2.gz MTSLAGXJTPUARV-WDEREUQCSA-N 3 1 255.362 -1.197 20 0 CAADMP CC(C)(C)OC(=O)[C@H](O)C[N@@H+]1C[C@@H](O)[C@@H](C[NH3+])C1 ZINC001246020667 780539519 /nfs/dbraw/zinc/53/95/19/780539519.db2.gz JQLDKOLLJJPWFK-IVZWLZJFSA-N 2 1 260.334 -1.060 20 0 CAADMP CC(C)(C)OC(=O)[C@H](O)C[N@H+]1C[C@@H](O)[C@@H](C[NH3+])C1 ZINC001246020667 780539526 /nfs/dbraw/zinc/53/95/26/780539526.db2.gz JQLDKOLLJJPWFK-IVZWLZJFSA-N 2 1 260.334 -1.060 20 0 CAADMP O[C@H](C[NH2+][C@H]1CC12C[NH2+]C2)CC1(O)CC[NH2+]CC1 ZINC001246010356 780539913 /nfs/dbraw/zinc/53/99/13/780539913.db2.gz MTSLAGXJTPUARV-QWRGUYRKSA-N 3 1 255.362 -1.197 20 0 CAADMP CC(C)(C)OC(=O)[C@@H](O)C[N@@H+]1C[C@@H](O)[C@@H](C[NH3+])C1 ZINC001246020664 780540025 /nfs/dbraw/zinc/54/00/25/780540025.db2.gz JQLDKOLLJJPWFK-AEJSXWLSSA-N 2 1 260.334 -1.060 20 0 CAADMP CC(C)(C)OC(=O)[C@@H](O)C[N@H+]1C[C@@H](O)[C@@H](C[NH3+])C1 ZINC001246020664 780540033 /nfs/dbraw/zinc/54/00/33/780540033.db2.gz JQLDKOLLJJPWFK-AEJSXWLSSA-N 2 1 260.334 -1.060 20 0 CAADMP O[C@@]1(CN2CC[NH2+]C[C@]23CC[NH2+]C3)CCC[NH2+]C1 ZINC001246025311 780540592 /nfs/dbraw/zinc/54/05/92/780540592.db2.gz HEDZHYOIHQDSPM-OLZOCXBDSA-N 3 1 254.378 -1.262 20 0 CAADMP O[C@@H](CN1CC[NH2+]C[C@]12CC[NH2+]C2)CC1(O)CC[NH2+]CC1 ZINC001246024305 780540633 /nfs/dbraw/zinc/54/06/33/780540633.db2.gz DZROGQPBMVYMKV-ZIAGYGMSSA-N 3 1 298.431 -1.511 20 0 CAADMP OC1(CN2CC[NH2+]C[C@]23CC[NH2+]C3)CC[NH2+]CC1 ZINC001246027515 780540661 /nfs/dbraw/zinc/54/06/61/780540661.db2.gz KUENCGZFYVGJNH-GFCCVEGCSA-N 3 1 254.378 -1.262 20 0 CAADMP COC(=O)[C@H]1C[N@@H+](CC2(O)CC[NH2+]CC2)C[C@H]1N ZINC001246049443 780540809 /nfs/dbraw/zinc/54/08/09/780540809.db2.gz AYYYDKYRRMFKAH-VHSXEESVSA-N 2 1 257.334 -1.467 20 0 CAADMP COC(=O)[C@H]1CN(CC2(O)CC[NH2+]CC2)C[C@H]1[NH3+] ZINC001246049443 780540811 /nfs/dbraw/zinc/54/08/11/780540811.db2.gz AYYYDKYRRMFKAH-VHSXEESVSA-N 2 1 257.334 -1.467 20 0 CAADMP [NH3+]C[C@H]1C[N@@H+](C[C@@H](O)CN2CCOCC2)C[C@H]1O ZINC001246025968 780540947 /nfs/dbraw/zinc/54/09/47/780540947.db2.gz YNKZSTSLJHANPK-SDDRHHMPSA-N 2 1 259.350 -2.069 20 0 CAADMP OC1(C[N@H+]2CCN[C@]3(CC[NH2+]C3)C2)CC[NH2+]CC1 ZINC001246026913 780541758 /nfs/dbraw/zinc/54/17/58/780541758.db2.gz OFTDERKTBYAVHZ-LBPRGKRZSA-N 3 1 254.378 -1.262 20 0 CAADMP OC1(CN2CCN[C@]3(CC[NH2+]C3)C2)CC[NH2+]CC1 ZINC001246026913 780541762 /nfs/dbraw/zinc/54/17/62/780541762.db2.gz OFTDERKTBYAVHZ-LBPRGKRZSA-N 2 1 254.378 -1.262 20 0 CAADMP CCCOC[C@@H](O)C[NH+]1CCNCC[NH2+]CCNCC1 ZINC001246057059 780542424 /nfs/dbraw/zinc/54/24/24/780542424.db2.gz RPASHFSTKFPUHX-AWEZNQCLSA-N 2 1 288.436 -1.142 20 0 CAADMP CCOC[C@H](O)C[NH+]1CCNCC[NH2+]CCNCC1 ZINC001246058543 780542686 /nfs/dbraw/zinc/54/26/86/780542686.db2.gz WSJDSEJYWQZOFQ-CYBMUJFWSA-N 2 1 274.409 -1.532 20 0 CAADMP OC1(CN2CC[NH2+]CCNCC[NH2+]CC2)CCOCC1 ZINC001246059178 780542924 /nfs/dbraw/zinc/54/29/24/780542924.db2.gz ZDYUQEZNFJIHFD-UHFFFAOYSA-N 2 1 286.420 -1.388 20 0 CAADMP O=S(=O)(CCNC1CC[NH2+]CC1)N1CC[NH2+]CC1 ZINC001246104318 780543813 /nfs/dbraw/zinc/54/38/13/780543813.db2.gz XESWXNPGNSNZJJ-UHFFFAOYSA-N 2 1 276.406 -1.437 20 0 CAADMP C[C@H]1CC[C@H](NCCS(=O)(=O)N2CC[NH2+]CC2)C[NH2+]1 ZINC001246099351 780543959 /nfs/dbraw/zinc/54/39/59/780543959.db2.gz HQRJLWCELHDYPZ-RYUDHWBXSA-N 2 1 290.433 -1.049 20 0 CAADMP O=S(=O)(CCN[C@@H]1CCC[NH2+]C1)N1CC[NH2+]CC1 ZINC001246102218 780543973 /nfs/dbraw/zinc/54/39/73/780543973.db2.gz RYIMCQVOYPGADB-LLVKDONJSA-N 2 1 276.406 -1.437 20 0 CAADMP C[C@@H]1CC[C@H](NCCS(=O)(=O)N2CC[NH2+]CC2)C[NH2+]1 ZINC001246099349 780544311 /nfs/dbraw/zinc/54/43/11/780544311.db2.gz HQRJLWCELHDYPZ-NEPJUHHUSA-N 2 1 290.433 -1.049 20 0 CAADMP CS(=O)(=O)N(CC[NH3+])[C@H]1CC[NH2+]C2(CNC2)C1 ZINC001246087589 780544595 /nfs/dbraw/zinc/54/45/95/780544595.db2.gz ZADFMQNFPNSFAY-VIFPVBQESA-N 2 1 262.379 -1.699 20 0 CAADMP C[C@H]1C[C@@H](NCCS(=O)(=O)N2CC[NH2+]CC2)CC[NH2+]1 ZINC001246100786 780544720 /nfs/dbraw/zinc/54/47/20/780544720.db2.gz NTKWLIFOKYHTAY-RYUDHWBXSA-N 2 1 290.433 -1.049 20 0 CAADMP COC(=O)[C@@H]1CC[C@@H]([NH2+][C@@H]2CO[C@@H]3C[NH2+]C[C@H]23)CN1 ZINC001246136944 780545595 /nfs/dbraw/zinc/54/55/95/780545595.db2.gz GYRGTWIYKDQJEH-RMPHRYRLSA-N 2 1 269.345 -1.144 20 0 CAADMP COC(=O)[C@@H]1C[C@@H]([NH2+][C@@H]2[C@H]3C[NH2+]C[C@@H]2COC3)CN1 ZINC001246150924 780546102 /nfs/dbraw/zinc/54/61/02/780546102.db2.gz URKIKJGNETXRSC-LVEVGFFFSA-N 2 1 269.345 -1.286 20 0 CAADMP OCC[NH+](CCO)CCC[NH2+][C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246159720 780547263 /nfs/dbraw/zinc/54/72/63/780547263.db2.gz BVXWZFWTEXGGOL-CYBMUJFWSA-N 3 1 286.420 -1.653 20 0 CAADMP COC(=O)[C@@H]1CC[C@@H]([NH+]2CCN(CC[NH3+])CC2)CN1 ZINC001246198312 780548211 /nfs/dbraw/zinc/54/82/11/780548211.db2.gz DZDVQHSPEZWVSX-NEPJUHHUSA-N 2 1 270.377 -1.144 20 0 CAADMP COC(=O)[C@@H]1C[C@H](N2CCN(CC[NH3+])CC2)C[NH2+]1 ZINC001246199080 780548912 /nfs/dbraw/zinc/54/89/12/780548912.db2.gz ICCTWJPVLUULFN-QWRGUYRKSA-N 2 1 256.350 -1.534 20 0 CAADMP COC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CC[NH2+]C[C@@H]2O)CN1 ZINC001246218156 780549098 /nfs/dbraw/zinc/54/90/98/780549098.db2.gz MXRXECUWBFQVOE-VLEAKVRGSA-N 2 1 257.334 -1.408 20 0 CAADMP CCOC(=O)CC1([NH2+][C@@H]2CCNC3(C[NH2+]C3)C2)CNC1 ZINC001246249927 780549323 /nfs/dbraw/zinc/54/93/23/780549323.db2.gz SJYIBADKTAPRLL-LLVKDONJSA-N 2 1 282.388 -1.035 20 0 CAADMP COC(=O)[C@@H]1C[C@@H](n2cncc2C[C@@H]([NH3+])CO)C[NH2+]1 ZINC001246252920 780549344 /nfs/dbraw/zinc/54/93/44/780549344.db2.gz XYCXFEGIFQZEJO-IEBDPFPHSA-N 2 1 268.317 -1.179 20 0 CAADMP COC(=O)[C@@H]1C[C@@H]([NH2+]CCC(=O)N2CC[NH+](C)CC2)CN1 ZINC001246257149 780550027 /nfs/dbraw/zinc/55/00/27/780550027.db2.gz UJQOXMXLKOBYPJ-NEPJUHHUSA-N 2 1 298.387 -1.356 20 0 CAADMP CCOC(=O)CC1([NH2+][C@H]2CCNC3(C[NH2+]C3)C2)CNC1 ZINC001246249929 780550142 /nfs/dbraw/zinc/55/01/42/780550142.db2.gz SJYIBADKTAPRLL-NSHDSACASA-N 2 1 282.388 -1.035 20 0 CAADMP CCOC(=O)CN(CC[NH3+])[C@H]1C[NH2+][C@H](C(=O)OC)C1 ZINC001246306384 780550687 /nfs/dbraw/zinc/55/06/87/780550687.db2.gz UOSZTORDMPENDF-ZJUUUORDSA-N 2 1 273.333 -1.286 20 0 CAADMP COC(=O)[C@@H]1CC[C@@H]([NH2+][C@H]2CC[NH2+]C[C@@H]2O)CN1 ZINC001246310172 780550842 /nfs/dbraw/zinc/55/08/42/780550842.db2.gz MXRXECUWBFQVOE-RCWTZXSCSA-N 2 1 257.334 -1.408 20 0 CAADMP OCC[C@]1([NH2+][C@@H]2CCNC3(C[NH2+]C3)C2)CC[NH2+]C1 ZINC001246297983 780551278 /nfs/dbraw/zinc/55/12/78/780551278.db2.gz YNJVYHKTJNWNHE-VXGBXAGGSA-N 3 1 254.378 -1.216 20 0 CAADMP O=C([C@@H]1C[C@H](N[C@H]2C[NH2+]CCC2=O)C[NH2+]1)N1CCSC1 ZINC001246287981 780551448 /nfs/dbraw/zinc/55/14/48/780551448.db2.gz HBLJTTMWMIILFB-DCAQKATOSA-N 2 1 298.412 -1.230 20 0 CAADMP OC[C@H]1CNCC[C@H]1[NH2+][C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246323356 780552321 /nfs/dbraw/zinc/55/23/21/780552321.db2.gz WIHWPONDCBXZJC-GRYCIOLGSA-N 2 1 254.378 -1.360 20 0 CAADMP [NH3+][C@@H]1NCN(C2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@H]2NCN[C@H]21 ZINC001246460252 780554135 /nfs/dbraw/zinc/55/41/35/780554135.db2.gz FEEAUAADLARCTF-FEPZSSCMSA-N 2 1 252.366 -1.738 20 0 CAADMP [NH3+][C@@H]1NCN(C2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@@H]2NCN[C@H]21 ZINC001246460258 780554181 /nfs/dbraw/zinc/55/41/81/780554181.db2.gz FEEAUAADLARCTF-VUJQJXQESA-N 2 1 252.366 -1.738 20 0 CAADMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)C(=O)NCC(N)=O ZINC001246404659 780554232 /nfs/dbraw/zinc/55/42/32/780554232.db2.gz KJHAOYIIHKSSFH-IZJGZUANSA-N 2 1 254.334 -1.151 20 0 CAADMP CCOC(=O)[C@@H]1C[C@@H]([N@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)CCN1 ZINC001246586994 780556451 /nfs/dbraw/zinc/55/64/51/780556451.db2.gz SDTOAUJPVXSQDG-FIQHERPVSA-N 2 1 271.361 -1.079 20 0 CAADMP OC[C@@H]1CC[N@H+]([C@H]2CCNC3(C[NH2+]C3)C2)C[C@H]1O ZINC001246575496 780556501 /nfs/dbraw/zinc/55/65/01/780556501.db2.gz MPUCFURJRIZVPD-SDDRHHMPSA-N 2 1 255.362 -1.245 20 0 CAADMP OC[C@@H]1CC[N@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)C[C@H]1O ZINC001246575494 780556583 /nfs/dbraw/zinc/55/65/83/780556583.db2.gz MPUCFURJRIZVPD-QJPTWQEYSA-N 2 1 255.362 -1.245 20 0 CAADMP C[N@@H+](CC(=O)N1CCOCC1)[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246522401 780556592 /nfs/dbraw/zinc/55/65/92/780556592.db2.gz COPVHGTZITYUMR-LBPRGKRZSA-N 2 1 282.388 -1.129 20 0 CAADMP COC(=O)[C@@H]1CC[C@@H]([N@@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)CN1 ZINC001246577576 780556780 /nfs/dbraw/zinc/55/67/80/780556780.db2.gz AVAPPDRYQSJKTE-ZRUFSTJUSA-N 2 1 257.334 -1.469 20 0 CAADMP COC(=O)[C@@H]1CC[C@@H]([N@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)CN1 ZINC001246577576 780556785 /nfs/dbraw/zinc/55/67/85/780556785.db2.gz AVAPPDRYQSJKTE-ZRUFSTJUSA-N 2 1 257.334 -1.469 20 0 CAADMP CCOC(=O)[C@@H]1C[C@H]([N@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)CCN1 ZINC001246586996 780556816 /nfs/dbraw/zinc/55/68/16/780556816.db2.gz SDTOAUJPVXSQDG-WHOHXGKFSA-N 2 1 271.361 -1.079 20 0 CAADMP COC(=O)[C@@H]1C[C@H]([N@H+]2C[C@H](O)[C@@H](C[NH3+])C2)CCN1 ZINC001246581137 780557053 /nfs/dbraw/zinc/55/70/53/780557053.db2.gz PVOKGGUOZPSTIM-VLEAKVRGSA-N 2 1 257.334 -1.469 20 0 CAADMP CS(=O)(=O)N1CCC([N@@H+]2C[C@H](O)[C@@H](C[NH3+])C2)CC1 ZINC001246581062 780557406 /nfs/dbraw/zinc/55/74/06/780557406.db2.gz PBDMSMUBVOFMEC-ONGXEEELSA-N 2 1 277.390 -1.338 20 0 CAADMP CS(=O)(=O)N1CCC([N@H+]2C[C@H](O)[C@@H](C[NH3+])C2)CC1 ZINC001246581062 780557411 /nfs/dbraw/zinc/55/74/11/780557411.db2.gz PBDMSMUBVOFMEC-ONGXEEELSA-N 2 1 277.390 -1.338 20 0 CAADMP COC(=O)[C@@H]1CC[C@H]([N@@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)CN1 ZINC001246577575 780557495 /nfs/dbraw/zinc/55/74/95/780557495.db2.gz AVAPPDRYQSJKTE-XWLWVQCSSA-N 2 1 257.334 -1.469 20 0 CAADMP COC(=O)[C@@H]1CC[C@H]([N@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)CN1 ZINC001246577575 780557498 /nfs/dbraw/zinc/55/74/98/780557498.db2.gz AVAPPDRYQSJKTE-XWLWVQCSSA-N 2 1 257.334 -1.469 20 0 CAADMP CC[C@]1(C(=O)OC)C[C@H](N2C[C@@H]([NH3+])[C@H](O)C2)C[NH2+]1 ZINC001246555425 780557527 /nfs/dbraw/zinc/55/75/27/780557527.db2.gz GMZJYYIQIIUMOU-BTQIBKBOSA-N 2 1 257.334 -1.326 20 0 CAADMP COC(=O)[C@@H]1C[C@H](N2C[C@H]3C[NH2+]C[C@@]3(CO)C2)C[NH2+]1 ZINC001246634146 780559705 /nfs/dbraw/zinc/55/97/05/780559705.db2.gz ARGFTSKQDPJIBC-BLFANLJRSA-N 2 1 269.345 -1.596 20 0 CAADMP COC(=O)[C@@H]1C[C@H](N2CCO[C@H]3CC[NH2+]C[C@@H]32)C[NH2+]1 ZINC001246666475 780560121 /nfs/dbraw/zinc/56/01/21/780560121.db2.gz VYABWPMMWQKGPK-BJDJZHNGSA-N 2 1 269.345 -1.047 20 0 CAADMP COC(=O)[C@@H]1C[C@@H](N2CC[C@@H]3OCC[NH2+][C@H]3C2)C[NH2+]1 ZINC001246658231 780560295 /nfs/dbraw/zinc/56/02/95/780560295.db2.gz PQMJEQSYYUZCCK-RHYQMDGZSA-N 2 1 269.345 -1.047 20 0 CAADMP COC(=O)[C@@H]1C[C@H](N2CCO[C@H]3C[NH2+]C[C@H]32)C[NH2+]1 ZINC001246660973 780560395 /nfs/dbraw/zinc/56/03/95/780560395.db2.gz DRGJTCBDJOGNHF-MMWGEVLESA-N 2 1 255.318 -1.438 20 0 CAADMP COC(=O)[C@@H]1CC[C@H](N2CC[NH2+]C[C@]23CC[NH2+]C3)CN1 ZINC001246630375 780560431 /nfs/dbraw/zinc/56/04/31/780560431.db2.gz OOZQQAFMQFLYAK-SGMGOOAPSA-N 2 1 282.388 -1.083 20 0 CAADMP COC(=O)[C@@H]1C[C@H]([N@@H+]2CCN[C@@]3(CC[NH2+]C3)C2)CCN1 ZINC001246645732 780560518 /nfs/dbraw/zinc/56/05/18/780560518.db2.gz VUSHFUTWTBVVEX-MBNYWOFBSA-N 2 1 282.388 -1.083 20 0 CAADMP COC(=O)[C@@H]1C[C@H]([N@H+]2CCN[C@@]3(CC[NH2+]C3)C2)CCN1 ZINC001246645732 780560523 /nfs/dbraw/zinc/56/05/23/780560523.db2.gz VUSHFUTWTBVVEX-MBNYWOFBSA-N 2 1 282.388 -1.083 20 0 CAADMP COC(=O)[C@@H]1C[C@H](N2CC[NH2+]C[C@@H]2C(=O)OC)C[NH2+]1 ZINC001246627789 780560567 /nfs/dbraw/zinc/56/05/67/780560567.db2.gz XKBCBRAGZXXDRO-LPEHRKFASA-N 2 1 271.317 -1.663 20 0 CAADMP COC(=O)[C@@H]1CC[C@@H](N2CC[NH2+]C[C@@]23CC[NH2+]C3)CN1 ZINC001246630351 780560656 /nfs/dbraw/zinc/56/06/56/780560656.db2.gz OOZQQAFMQFLYAK-DYEKYZERSA-N 2 1 282.388 -1.083 20 0 CAADMP COC(=O)[C@@H]1C[C@H](N2C[C@H](C(=O)OC)C[C@H]([NH3+])C2)C[NH2+]1 ZINC001246795593 780561303 /nfs/dbraw/zinc/56/13/03/780561303.db2.gz CSHMKJLXSAXAAP-RCWTZXSCSA-N 2 1 285.344 -1.288 20 0 CAADMP CS(=O)(=O)N1CC[NH+]([C@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246782171 780561428 /nfs/dbraw/zinc/56/14/28/780561428.db2.gz ZNGUNCSVQPMOTD-NSHDSACASA-N 2 1 288.417 -1.342 20 0 CAADMP COC(=O)[C@@H]1C[C@@H](N2C[C@H]([NH3+])C[C@@H](C(=O)OC)C2)C[NH2+]1 ZINC001246795591 780561527 /nfs/dbraw/zinc/56/15/27/780561527.db2.gz CSHMKJLXSAXAAP-DBIOUOCHSA-N 2 1 285.344 -1.288 20 0 CAADMP C1[NH2+]CC12C[C@H]([N@@H+]1C[C@H]3CNC[C@@H](C1)O3)CCN2 ZINC001246680059 780561835 /nfs/dbraw/zinc/56/18/35/780561835.db2.gz SNXXQCMUDIXNRI-UTUOFQBUSA-N 2 1 252.362 -1.247 20 0 CAADMP C1[NH2+]CC12C[C@H](N1C[C@H]3C[NH2+]C[C@@H](C1)O3)CCN2 ZINC001246680059 780561838 /nfs/dbraw/zinc/56/18/38/780561838.db2.gz SNXXQCMUDIXNRI-UTUOFQBUSA-N 2 1 252.362 -1.247 20 0 CAADMP COC(=O)[C@@H]1C[N@H+]([C@H]2CCNC3(C[NH2+]C3)C2)CCN1 ZINC001246691846 780561994 /nfs/dbraw/zinc/56/19/94/780561994.db2.gz GAQKNQRZLHSSRD-QWRGUYRKSA-N 2 1 268.361 -1.473 20 0 CAADMP COC(=O)C[C@@H]1CNCC[N@@H+]1[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246811935 780562077 /nfs/dbraw/zinc/56/20/77/780562077.db2.gz AGYRNWRDDMRWSN-VXGBXAGGSA-N 2 1 282.388 -1.083 20 0 CAADMP COC(=O)C[C@@H]1CNCC[N@H+]1[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246811935 780562084 /nfs/dbraw/zinc/56/20/84/780562084.db2.gz AGYRNWRDDMRWSN-VXGBXAGGSA-N 2 1 282.388 -1.083 20 0 CAADMP COC(=O)C[C@@H]1C[NH2+]CCN1[C@H]1C[NH2+][C@H](C(=O)OC)C1 ZINC001246819964 780562774 /nfs/dbraw/zinc/56/27/74/780562774.db2.gz UXDSKLOUKFGFLC-MXWKQRLJSA-N 2 1 285.344 -1.273 20 0 CAADMP COC(=O)C[C@H]1C[NH2+]CCN1[C@@H]1C[NH2+][C@H](C(=O)OC)C1 ZINC001246819963 780562873 /nfs/dbraw/zinc/56/28/73/780562873.db2.gz UXDSKLOUKFGFLC-DCAQKATOSA-N 2 1 285.344 -1.273 20 0 CAADMP C1[NH2+]CC12C[C@@H]([NH+]1CCNCC[NH2+]CCNCC1)CS2 ZINC001246821372 780562886 /nfs/dbraw/zinc/56/28/86/780562886.db2.gz OEYXZWKGALKTPT-CYBMUJFWSA-N 3 1 299.488 -1.082 20 0 CAADMP C1[NH2+]CC12C[C@H]([NH+]1CCNCC[NH2+]CCNCC1)CCN2 ZINC001246821167 780563260 /nfs/dbraw/zinc/56/32/60/780563260.db2.gz MIASOHIKNFMICH-CQSZACIVSA-N 3 1 296.463 -1.835 20 0 CAADMP CC1(C)C[N@H+]([C@H]2CCNC3(C[NH2+]C3)C2)CCN1CC(N)=O ZINC001246822297 780563333 /nfs/dbraw/zinc/56/33/33/780563333.db2.gz YEEMUVIBXOOHEC-LBPRGKRZSA-N 2 1 295.431 -1.038 20 0 CAADMP OCC[C@H]1C[N@@H+]([C@H]2CCNC3(C[NH2+]C3)C2)CCN1 ZINC001246869217 780563987 /nfs/dbraw/zinc/56/39/87/780563987.db2.gz FVVIJJXXODWLMN-RYUDHWBXSA-N 2 1 254.378 -1.263 20 0 CAADMP OCC[C@H]1C[N@H+]([C@H]2CCNC3(C[NH2+]C3)C2)CCN1 ZINC001246869217 780563989 /nfs/dbraw/zinc/56/39/89/780563989.db2.gz FVVIJJXXODWLMN-RYUDHWBXSA-N 2 1 254.378 -1.263 20 0 CAADMP COC(=O)[C@H]1C[N@H+]([C@H]2CCNC3(C[NH2+]C3)C2)CCN1C ZINC001246867617 780564168 /nfs/dbraw/zinc/56/41/68/780564168.db2.gz JLZUHWXIEFHZPH-NWDGAFQWSA-N 2 1 282.388 -1.131 20 0 CAADMP COC(=O)[C@H]1C[C@@H](N2C[C@@H]([NH3+])C[C@H]2C(=O)OC)C[NH2+]1 ZINC001246909996 780564449 /nfs/dbraw/zinc/56/44/49/780564449.db2.gz YZZGOXRBDSKNDL-JLIMGVALSA-N 2 1 271.317 -1.536 20 0 CAADMP COC(=O)[C@H]1C[C@H](N2C[C@H]([NH3+])[C@H](C(=O)OC)C2)C[NH2+]1 ZINC001246930152 780564666 /nfs/dbraw/zinc/56/46/66/780564666.db2.gz KAIMVGGWUFRWTG-QCLAVDOMSA-N 2 1 271.317 -1.678 20 0 CAADMP COC(=O)[C@@H]1CN([C@@H]2C[NH2+][C@H](C(=O)OC)C2)C[C@H]1[NH3+] ZINC001246930149 780564750 /nfs/dbraw/zinc/56/47/50/780564750.db2.gz KAIMVGGWUFRWTG-JLIMGVALSA-N 2 1 271.317 -1.678 20 0 CAADMP [NH3+]CCCNC(=O)C[N@H+](CCC[NH3+])[C@@H]1CCNC(=O)C1 ZINC001246922920 780564863 /nfs/dbraw/zinc/56/48/63/780564863.db2.gz ZAPJXMOPNUHRIZ-LLVKDONJSA-N 3 1 285.392 -1.619 20 0 CAADMP [NH3+]CCCNC(=O)C[N@@H+](CCC[NH3+])[C@@H]1CCNC(=O)C1 ZINC001246922920 780564868 /nfs/dbraw/zinc/56/48/68/780564868.db2.gz ZAPJXMOPNUHRIZ-LLVKDONJSA-N 3 1 285.392 -1.619 20 0 CAADMP COC(=O)[C@]1(N)CC[N@H+]([C@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246928437 780564892 /nfs/dbraw/zinc/56/48/92/780564892.db2.gz ZNRZPHBCFWJWIE-GWCFXTLKSA-N 2 1 268.361 -1.343 20 0 CAADMP COC(=O)[C@H]1C[N@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)CCN1C ZINC001246867621 780564897 /nfs/dbraw/zinc/56/48/97/780564897.db2.gz JLZUHWXIEFHZPH-VXGBXAGGSA-N 2 1 282.388 -1.131 20 0 CAADMP O=C1COC[C@H]2C[N@H+]([C@@H]3CCNC4(C[NH2+]C4)C3)CCN12 ZINC001246872344 780564902 /nfs/dbraw/zinc/56/49/02/780564902.db2.gz ROUCLEUGWFLHAW-VXGBXAGGSA-N 2 1 280.372 -1.377 20 0 CAADMP COC(=O)[C@H]1C[C@@H](N2C[C@H]([NH3+])[C@H](C(=O)OC)C2)C[NH2+]1 ZINC001246930145 780565074 /nfs/dbraw/zinc/56/50/74/780565074.db2.gz KAIMVGGWUFRWTG-DOLQZWNJSA-N 2 1 271.317 -1.678 20 0 CAADMP COC(=O)[C@@H]1C[N@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)C[C@@H]1N ZINC001246929786 780565201 /nfs/dbraw/zinc/56/52/01/780565201.db2.gz HQAHSXIRMJHCLW-MXWKQRLJSA-N 2 1 268.361 -1.488 20 0 CAADMP COC(=O)[C@@H]1CN([C@@H]2CCNC3(C[NH2+]C3)C2)C[C@@H]1[NH3+] ZINC001246929786 780565208 /nfs/dbraw/zinc/56/52/08/780565208.db2.gz HQAHSXIRMJHCLW-MXWKQRLJSA-N 2 1 268.361 -1.488 20 0 CAADMP N[C@H]1C[N@@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)CC12COC2 ZINC001246990790 780565729 /nfs/dbraw/zinc/56/57/29/780565729.db2.gz QPSQBPUNONXYRO-MNOVXSKESA-N 2 1 252.362 -1.260 20 0 CAADMP N[C@H]1C[N@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)CC12COC2 ZINC001246990790 780565733 /nfs/dbraw/zinc/56/57/33/780565733.db2.gz QPSQBPUNONXYRO-MNOVXSKESA-N 2 1 252.362 -1.260 20 0 CAADMP N[C@@H]1C[N@@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)CC12COC2 ZINC001246990789 780565890 /nfs/dbraw/zinc/56/58/90/780565890.db2.gz QPSQBPUNONXYRO-GHMZBOCLSA-N 2 1 252.362 -1.260 20 0 CAADMP N[C@@H]1C[N@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)CC12COC2 ZINC001246990789 780565896 /nfs/dbraw/zinc/56/58/96/780565896.db2.gz QPSQBPUNONXYRO-GHMZBOCLSA-N 2 1 252.362 -1.260 20 0 CAADMP COC(=O)[C@H]1C[N@@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)CC[C@@H]1N ZINC001246949759 780565930 /nfs/dbraw/zinc/56/59/30/780565930.db2.gz UYDUGHIXWVLMRY-WOPDTQHZSA-N 2 1 282.388 -1.097 20 0 CAADMP COC(=O)[C@H]1C[N@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)CC[C@@H]1N ZINC001246949759 780565934 /nfs/dbraw/zinc/56/59/34/780565934.db2.gz UYDUGHIXWVLMRY-WOPDTQHZSA-N 2 1 282.388 -1.097 20 0 CAADMP COC(=O)[C@@H]1C[C@@H](N2C[C@H]([NH3+])C3(COC3)C2)C[NH2+]1 ZINC001246993318 780566066 /nfs/dbraw/zinc/56/60/66/780566066.db2.gz ZRISXADROZBUAW-UTLUCORTSA-N 2 1 255.318 -1.451 20 0 CAADMP COC(=O)[C@@H]1C[C@H](N(C)[C@H]2C[NH2+]C[C@@H]2OC)C[NH2+]1 ZINC001246988031 780566559 /nfs/dbraw/zinc/56/65/59/780566559.db2.gz IKACJQFEGCYBGT-NAKRPEOUSA-N 2 1 257.334 -1.192 20 0 CAADMP C[NH+](C)CCN1CC[N@@H+](C[C@H](O)CO)CCC1=O ZINC001252061588 780582624 /nfs/dbraw/zinc/58/26/24/780582624.db2.gz PFXDGMQZPGXTJT-NSHDSACASA-N 2 1 259.350 -1.565 20 0 CAADMP COC(=O)[C@H](O)C[N@@H+]1CCC(=O)N(CC[NH+](C)C)CC1 ZINC001252427291 780585783 /nfs/dbraw/zinc/58/57/83/780585783.db2.gz HJSPIXPWLAJWKI-LLVKDONJSA-N 2 1 287.360 -1.384 20 0 CAADMP CC[NH+](CC)C[C@H](O)C[NH2+]C[C@@H]1CNC(=O)CO1 ZINC001253208750 780591631 /nfs/dbraw/zinc/59/16/31/780591631.db2.gz SUAVBRXDOHVJAW-GHMZBOCLSA-N 2 1 259.350 -1.206 20 0 CAADMP C[C@@H]1[C@H](C(=O)N(C)C[C@H](O)C[NH2+]CCO)CC[N@H+]1C ZINC001278757010 780598167 /nfs/dbraw/zinc/59/81/67/780598167.db2.gz YALFXEWQWMJMMJ-IJLUTSLNSA-N 2 1 273.377 -1.272 20 0 CAADMP [NH3+][C@@H]1NCN([C@@H]2CC3CC[NH+](CC3)C2)[C@H]2NCN[C@H]21 ZINC001254853052 780608986 /nfs/dbraw/zinc/60/89/86/780608986.db2.gz VLGYWXBERAORAI-YVECIDJPSA-N 2 1 266.393 -1.537 20 0 CAADMP COC(=O)[C@@H](C[NH3+])C[NH2+]C1CCS(=O)(=O)CC1 ZINC001256376775 780623700 /nfs/dbraw/zinc/62/37/00/780623700.db2.gz BQFNKBHSUHWAIP-QMMMGPOBSA-N 2 1 264.347 -1.099 20 0 CAADMP O=C(CN1CC[N@H+]2C[C@H](O)C[C@H]2C1)N1CC[NH2+]CC1 ZINC001261554858 780672756 /nfs/dbraw/zinc/67/27/56/780672756.db2.gz PGIOHDOMYBNZDW-NWDGAFQWSA-N 2 1 268.361 -1.831 20 0 CAADMP Nc1nc(N2CC[N@H+]3C[C@H](O)C[C@H]3C2)nc(N)[nH+]1 ZINC001261791588 780683672 /nfs/dbraw/zinc/68/36/72/780683672.db2.gz VRNWLBKPOBGXJU-NKWVEPMBSA-N 2 1 251.294 -1.709 20 0 CAADMP NC(=O)[C@H]1C[N@H+](C[C@H]2CC3(C[NH2+]C3)CO2)CCO1 ZINC001262195307 780703155 /nfs/dbraw/zinc/70/31/55/780703155.db2.gz WVXNEHFMKNXXAI-NXEZZACHSA-N 2 1 255.318 -1.449 20 0 CAADMP NC(=O)[C@H]1C[N@@H+](C[C@H]2CC3(C[NH2+]C3)CO2)CCO1 ZINC001262195307 780703158 /nfs/dbraw/zinc/70/31/58/780703158.db2.gz WVXNEHFMKNXXAI-NXEZZACHSA-N 2 1 255.318 -1.449 20 0 CAADMP NC(=O)[C@@H]1C[N@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)CCO1 ZINC001262195308 780703226 /nfs/dbraw/zinc/70/32/26/780703226.db2.gz WVXNEHFMKNXXAI-UWVGGRQHSA-N 2 1 255.318 -1.449 20 0 CAADMP NC(=O)[C@@H]1C[N@@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)CCO1 ZINC001262195308 780703231 /nfs/dbraw/zinc/70/32/31/780703231.db2.gz WVXNEHFMKNXXAI-UWVGGRQHSA-N 2 1 255.318 -1.449 20 0 CAADMP NC(=O)[C@H]1C[N@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)CCO1 ZINC001262195309 780703392 /nfs/dbraw/zinc/70/33/92/780703392.db2.gz WVXNEHFMKNXXAI-VHSXEESVSA-N 2 1 255.318 -1.449 20 0 CAADMP NC(=O)[C@H]1C[N@@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)CCO1 ZINC001262195309 780703397 /nfs/dbraw/zinc/70/33/97/780703397.db2.gz WVXNEHFMKNXXAI-VHSXEESVSA-N 2 1 255.318 -1.449 20 0 CAADMP CC(C)(O)[C@H]([NH3+])C(=O)NCC[N@@H+]1CCCOCC1 ZINC001263117520 780720896 /nfs/dbraw/zinc/72/08/96/780720896.db2.gz CZPKNNSRDRCPLZ-SNVBAGLBSA-N 2 1 259.350 -1.077 20 0 CAADMP C[NH+](C)C[C@H](O)C[NH2+]C[C@H](O)C[C@@]1(O)CCOC1 ZINC001262489661 780711798 /nfs/dbraw/zinc/71/17/98/780711798.db2.gz FPQRSZZOJSBSNL-UTUOFQBUSA-N 2 1 262.350 -1.599 20 0 CAADMP O=C(Nc1cc2n(n1)CC[NH2+]C2)[C@@H]1C[NH2+]CCO1 ZINC001263244380 780724726 /nfs/dbraw/zinc/72/47/26/780724726.db2.gz BRYWHQVLRJJKGO-VIFPVBQESA-N 2 1 251.290 -1.087 20 0 CAADMP [NH3+]CCOCC(=O)NC[C@@]1(CO)COC[C@@H]2CCC[N@H+]21 ZINC001263318650 780726534 /nfs/dbraw/zinc/72/65/34/780726534.db2.gz QQLFZJSATGNHTG-WCQYABFASA-N 2 1 287.360 -1.696 20 0 CAADMP COCCOC[C@@H](O)C[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000702571162 780769037 /nfs/dbraw/zinc/76/90/37/780769037.db2.gz WMALMCRVIPMZCO-RYUDHWBXSA-N 2 1 262.350 -1.334 20 0 CAADMP COCCOC[C@@H](O)C[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000702571162 780769040 /nfs/dbraw/zinc/76/90/40/780769040.db2.gz WMALMCRVIPMZCO-RYUDHWBXSA-N 2 1 262.350 -1.334 20 0 CAADMP COCCOC[C@@H](O)C[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000702571160 780769336 /nfs/dbraw/zinc/76/93/36/780769336.db2.gz WMALMCRVIPMZCO-NWDGAFQWSA-N 2 1 262.350 -1.334 20 0 CAADMP COCCOC[C@@H](O)C[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000702571160 780769340 /nfs/dbraw/zinc/76/93/40/780769340.db2.gz WMALMCRVIPMZCO-NWDGAFQWSA-N 2 1 262.350 -1.334 20 0 CAADMP C[C@@H](CCNC(=O)[C@@H]1CC[N@@H+](C)C1)[NH2+]CC(N)=O ZINC001266190045 780771789 /nfs/dbraw/zinc/77/17/89/780771789.db2.gz XTYKKSAAKLQFGB-VHSXEESVSA-N 2 1 256.350 -1.092 20 0 CAADMP CN(CCOCC[NH2+]CCO)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001279392031 780773538 /nfs/dbraw/zinc/77/35/38/780773538.db2.gz GPTZPEXTZBXYKM-GFCCVEGCSA-N 2 1 289.376 -1.626 20 0 CAADMP CN(CCOCC[NH2+]CCO)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001279392031 780773544 /nfs/dbraw/zinc/77/35/44/780773544.db2.gz GPTZPEXTZBXYKM-GFCCVEGCSA-N 2 1 289.376 -1.626 20 0 CAADMP C[C@@H](O)C[NH2+]CCN(CCO)C(=O)[C@@H]1CCC[N@H+]1C ZINC001279672018 780775002 /nfs/dbraw/zinc/77/50/02/780775002.db2.gz AFHUJMUVOKLCQN-NEPJUHHUSA-N 2 1 273.377 -1.128 20 0 CAADMP C[N@H+](CCO)CCOCCNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001283364247 780852171 /nfs/dbraw/zinc/85/21/71/780852171.db2.gz XJBIEUJEEUPFIK-LBPRGKRZSA-N 2 1 289.376 -1.626 20 0 CAADMP C[N@@H+](CCO)CCOCCNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001283364247 780852176 /nfs/dbraw/zinc/85/21/76/780852176.db2.gz XJBIEUJEEUPFIK-LBPRGKRZSA-N 2 1 289.376 -1.626 20 0 CAADMP C[NH+](CCO)CCOCCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001283364247 780852182 /nfs/dbraw/zinc/85/21/82/780852182.db2.gz XJBIEUJEEUPFIK-LBPRGKRZSA-N 2 1 289.376 -1.626 20 0 CAADMP C[NH+](CCO)CCOCCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001283364247 780852191 /nfs/dbraw/zinc/85/21/91/780852191.db2.gz XJBIEUJEEUPFIK-LBPRGKRZSA-N 2 1 289.376 -1.626 20 0 CAADMP C[N@@H+]1CCO[C@@H](C(=O)NC[C@@H](CO)[NH2+]CCO)C1 ZINC001283742798 780860059 /nfs/dbraw/zinc/86/00/59/780860059.db2.gz NNHQNWRWDBUTSI-VHSXEESVSA-N 2 1 261.322 -2.624 20 0 CAADMP C[N@H+]1CCO[C@@H](C(=O)NC[C@@H](CO)[NH2+]CCO)C1 ZINC001283742798 780860065 /nfs/dbraw/zinc/86/00/65/780860065.db2.gz NNHQNWRWDBUTSI-VHSXEESVSA-N 2 1 261.322 -2.624 20 0 CAADMP CCOCC[NH2+][C@H](CO)CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001283743679 780860364 /nfs/dbraw/zinc/86/03/64/780860364.db2.gz SUQZKCMPMJHPIV-NWDGAFQWSA-N 2 1 289.376 -1.580 20 0 CAADMP CCOCC[NH2+][C@H](CO)CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001283743679 780860367 /nfs/dbraw/zinc/86/03/67/780860367.db2.gz SUQZKCMPMJHPIV-NWDGAFQWSA-N 2 1 289.376 -1.580 20 0 CAADMP C[N@@H+]1CCO[C@H](C(=O)NC[C@H](CO)[NH2+]CCO)C1 ZINC001283742799 780860660 /nfs/dbraw/zinc/86/06/60/780860660.db2.gz NNHQNWRWDBUTSI-ZJUUUORDSA-N 2 1 261.322 -2.624 20 0 CAADMP C[N@H+]1CCO[C@H](C(=O)NC[C@H](CO)[NH2+]CCO)C1 ZINC001283742799 780860669 /nfs/dbraw/zinc/86/06/69/780860669.db2.gz NNHQNWRWDBUTSI-ZJUUUORDSA-N 2 1 261.322 -2.624 20 0 CAADMP CCOCC[NH2+][C@@H](CO)CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001283743682 780860688 /nfs/dbraw/zinc/86/06/88/780860688.db2.gz SUQZKCMPMJHPIV-VXGBXAGGSA-N 2 1 289.376 -1.580 20 0 CAADMP CCOCC[NH2+][C@@H](CO)CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001283743682 780860697 /nfs/dbraw/zinc/86/06/97/780860697.db2.gz SUQZKCMPMJHPIV-VXGBXAGGSA-N 2 1 289.376 -1.580 20 0 CAADMP CCOCC[NH2+][C@H](CO)CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001283743681 780860748 /nfs/dbraw/zinc/86/07/48/780860748.db2.gz SUQZKCMPMJHPIV-RYUDHWBXSA-N 2 1 289.376 -1.580 20 0 CAADMP CCOCC[NH2+][C@H](CO)CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001283743681 780860755 /nfs/dbraw/zinc/86/07/55/780860755.db2.gz SUQZKCMPMJHPIV-RYUDHWBXSA-N 2 1 289.376 -1.580 20 0 CAADMP COC(=O)[C@@H](C[NH3+])C[NH2+][C@@H]1CN[C@H](C(=O)OC)C1 ZINC001246236242 781420871 /nfs/dbraw/zinc/42/08/71/781420871.db2.gz OLPGIEFPGRNMAY-CIUDSAMLSA-N 2 1 259.306 -1.773 20 0 CAADMP [NH3+][C@@H]1CC[N@H+](C[C@@H](O)CN2CCOCC2)C[C@H]1O ZINC001246020690 781398223 /nfs/dbraw/zinc/39/82/23/781398223.db2.gz JNPACLDNBNFNPV-QJPTWQEYSA-N 2 1 259.350 -1.927 20 0 CAADMP [NH3+][C@@H]1CC[N@@H+](C[C@@H](O)CN2CCOCC2)C[C@H]1O ZINC001246020690 781398230 /nfs/dbraw/zinc/39/82/30/781398230.db2.gz JNPACLDNBNFNPV-QJPTWQEYSA-N 2 1 259.350 -1.927 20 0 CAADMP [NH3+]C[C@H]1C[N@@H+](C[C@H](O)CC2(O)CC[NH2+]CC2)C[C@H]1O ZINC001246019521 781398757 /nfs/dbraw/zinc/39/87/57/781398757.db2.gz FUJGLEIYNLDREW-QJPTWQEYSA-N 3 1 273.377 -1.897 20 0 CAADMP [NH3+]C[C@H]1CN(C[C@H](O)CC2(O)CC[NH2+]CC2)C[C@H]1O ZINC001246019521 781398766 /nfs/dbraw/zinc/39/87/66/781398766.db2.gz FUJGLEIYNLDREW-QJPTWQEYSA-N 2 1 273.377 -1.897 20 0 CAADMP C[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CCO)C[C@H]2O)CC1 ZINC001090537693 781407325 /nfs/dbraw/zinc/40/73/25/781407325.db2.gz NATZNXMAUIGHND-QWHCGFSZSA-N 2 1 285.388 -1.128 20 0 CAADMP C[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](CCO)C[C@@H]2O)CC1 ZINC001090537692 781407848 /nfs/dbraw/zinc/40/78/48/781407848.db2.gz NATZNXMAUIGHND-OLZOCXBDSA-N 2 1 285.388 -1.128 20 0 CAADMP COC(=O)[C@H](CN)C[NH2+][C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246236640 781419880 /nfs/dbraw/zinc/41/98/80/781419880.db2.gz PYXHDGQHHOFNQD-ZJUUUORDSA-N 2 1 256.350 -1.582 20 0 CAADMP O=C(N[C@H]1CC[N@H+](CCO)C[C@@H]1O)C12CC[NH+](CC1)C2 ZINC001090730179 781427121 /nfs/dbraw/zinc/42/71/21/781427121.db2.gz HSHWWLXGYQPWMN-RYUDHWBXSA-N 2 1 283.372 -1.374 20 0 CAADMP O=C([C@@H]1C[C@@H](N[C@@H]2C[NH2+]CCC2=O)C[NH2+]1)N1CCSC1 ZINC001246287989 781427445 /nfs/dbraw/zinc/42/74/45/781427445.db2.gz HBLJTTMWMIILFB-OUAUKWLOSA-N 2 1 298.412 -1.230 20 0 CAADMP CS(=O)(=O)N1CCC([NH2+][C@H]2C[NH2+]C[C@@H]2CO)CC1 ZINC001246300788 781428571 /nfs/dbraw/zinc/42/85/71/781428571.db2.gz TZIOABKCYQWOKD-KOLCDFICSA-N 2 1 277.390 -1.420 20 0 CAADMP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[N@H+](CCO)C[C@H]1O ZINC001090808394 781432733 /nfs/dbraw/zinc/43/27/33/781432733.db2.gz KDECYUFQRMUYRZ-NWDGAFQWSA-N 2 1 282.344 -1.265 20 0 CAADMP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[N@@H+](CCO)C[C@H]1O ZINC001090808394 781432741 /nfs/dbraw/zinc/43/27/41/781432741.db2.gz KDECYUFQRMUYRZ-NWDGAFQWSA-N 2 1 282.344 -1.265 20 0 CAADMP O=C1C[NH2+]CCN1CC[NH2+][C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246355544 781432910 /nfs/dbraw/zinc/43/29/10/781432910.db2.gz JEARCPRHLIEWIV-LLVKDONJSA-N 3 1 267.377 -1.898 20 0 CAADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CC[N@H+](CCO)C[C@H]1O ZINC001090808396 781434200 /nfs/dbraw/zinc/43/42/00/781434200.db2.gz KDECYUFQRMUYRZ-VXGBXAGGSA-N 2 1 282.344 -1.265 20 0 CAADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CC[N@@H+](CCO)C[C@H]1O ZINC001090808396 781434204 /nfs/dbraw/zinc/43/42/04/781434204.db2.gz KDECYUFQRMUYRZ-VXGBXAGGSA-N 2 1 282.344 -1.265 20 0 CAADMP C[NH+]1CCC(CC(=O)N2CN[C@H]([NH3+])[C@H]3NCN[C@@H]32)CC1 ZINC001143366719 781437579 /nfs/dbraw/zinc/43/75/79/781437579.db2.gz GOBSRNUPXMSFMG-FRRDWIJNSA-N 2 1 282.392 -1.763 20 0 CAADMP C[NH+]1CCC(CC(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@H]32)CC1 ZINC001143366718 781438148 /nfs/dbraw/zinc/43/81/48/781438148.db2.gz GOBSRNUPXMSFMG-AVGNSLFASA-N 2 1 282.392 -1.763 20 0 CAADMP C[C@H]1C(=O)NCCN1C(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001160451660 781440960 /nfs/dbraw/zinc/44/09/60/781440960.db2.gz SXBNCPWNOBOYNK-GXSJLCMTSA-N 2 1 283.376 -1.916 20 0 CAADMP C[C@@H]1C(=O)NCCN1C(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001160451662 781441089 /nfs/dbraw/zinc/44/10/89/781441089.db2.gz SXBNCPWNOBOYNK-MWLCHTKSSA-N 2 1 283.376 -1.916 20 0 CAADMP C[C@H]1C(=O)NCCN1C(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001160451663 781441166 /nfs/dbraw/zinc/44/11/66/781441166.db2.gz SXBNCPWNOBOYNK-ONGXEEELSA-N 2 1 283.376 -1.916 20 0 CAADMP CC1(C)C(=O)NCCN1C(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001160477664 781441957 /nfs/dbraw/zinc/44/19/57/781441957.db2.gz ASRKVKNPRPEDSM-NSHDSACASA-N 2 1 297.403 -1.526 20 0 CAADMP C[N@@H+]1CCO[C@H](C(=O)NCC2CC([NH2+]CCO)C2)C1 ZINC001090970860 781443406 /nfs/dbraw/zinc/44/34/06/781443406.db2.gz NJLSKCHVPPGFGT-MCIGGMRASA-N 2 1 271.361 -1.206 20 0 CAADMP C[N@H+]1CCO[C@H](C(=O)NCC2CC([NH2+]CCO)C2)C1 ZINC001090970860 781443408 /nfs/dbraw/zinc/44/34/08/781443408.db2.gz NJLSKCHVPPGFGT-MCIGGMRASA-N 2 1 271.361 -1.206 20 0 CAADMP [NH3+]C[C@H]1CN(C(=O)[C@H]([NH3+])Cc2c[nH]cn2)CCO1 ZINC001160643870 781457903 /nfs/dbraw/zinc/45/79/03/781457903.db2.gz OWFYWMAPUPPGLH-VHSXEESVSA-N 2 1 253.306 -1.534 20 0 CAADMP C[C@H](CC(=O)N1CCOCC1)[N@H+]1C[C@H](O)[C@@H](C[NH3+])C1 ZINC001246577650 781460399 /nfs/dbraw/zinc/46/03/99/781460399.db2.gz CDAITZMYSNKUFD-WOPDTQHZSA-N 2 1 271.361 -1.125 20 0 CAADMP CCOC(=O)[C@@H]1C[C@@H]([N@H+]2C[C@H](O)[C@@H](C[NH3+])C2)CCN1 ZINC001246581598 781462057 /nfs/dbraw/zinc/46/20/57/781462057.db2.gz SDTOAUJPVXSQDG-BJDJZHNGSA-N 2 1 271.361 -1.079 20 0 CAADMP CC[C@]1(C(=O)OC)C[C@@H](N2C[C@@H](O)[C@@H](C[NH3+])C2)C[NH2+]1 ZINC001246580720 781462677 /nfs/dbraw/zinc/46/26/77/781462677.db2.gz OATNLBUKOOPFGE-SBFPOUOMSA-N 2 1 271.361 -1.079 20 0 CAADMP COC(=O)[C@@H]1C[C@@H]([N@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)CCN1 ZINC001246586049 781462815 /nfs/dbraw/zinc/46/28/15/781462815.db2.gz PVOKGGUOZPSTIM-XWLWVQCSSA-N 2 1 257.334 -1.469 20 0 CAADMP NC[C@H]([NH3+])c1ccc(C(=O)N2CCO[C@@H](C(N)=O)C2)cc1 ZINC001160705320 781463521 /nfs/dbraw/zinc/46/35/21/781463521.db2.gz VGASXUPWFSDXIX-NWDGAFQWSA-N 2 1 292.339 -1.029 20 0 CAADMP NC[C@@H]([NH3+])c1ccc(C(=O)N2CCO[C@@H](C(N)=O)C2)cc1 ZINC001160705322 781463649 /nfs/dbraw/zinc/46/36/49/781463649.db2.gz VGASXUPWFSDXIX-VXGBXAGGSA-N 2 1 292.339 -1.029 20 0 CAADMP COC[C@@H]1C[NH2+]CCN1[C@@H]1C[NH2+][C@H](C(=O)OC)C1 ZINC001246593477 781463856 /nfs/dbraw/zinc/46/38/56/781463856.db2.gz ICLYOZFMJLFAOH-DCAQKATOSA-N 2 1 257.334 -1.190 20 0 CAADMP COC[C@H]1C[NH2+]CCN1[C@H]1C[NH2+][C@H](C(=O)OC)C1 ZINC001246593478 781463873 /nfs/dbraw/zinc/46/38/73/781463873.db2.gz ICLYOZFMJLFAOH-MXWKQRLJSA-N 2 1 257.334 -1.190 20 0 CAADMP C[N@H+]1CC[C@H](C(=O)NCC2CC([NH2+]CC(N)=O)C2)C1 ZINC001091364708 781475747 /nfs/dbraw/zinc/47/57/47/781475747.db2.gz LTGIOMOHOHSETF-YVNMAJEFSA-N 2 1 268.361 -1.092 20 0 CAADMP COC(=O)[C@H]1C[C@@H](N2CC[NH2+]C[C@]23CC[NH2+]C3)CN1 ZINC001246627274 781476412 /nfs/dbraw/zinc/47/64/12/781476412.db2.gz UWCQIFLANKQCPQ-NQBHXWOUSA-N 2 1 268.361 -1.473 20 0 CAADMP COC(=O)[C@H]1C[C@@H](N2CC[NH2+]C[C@@]23CC[NH2+]C3)CN1 ZINC001246627283 781476536 /nfs/dbraw/zinc/47/65/36/781476536.db2.gz UWCQIFLANKQCPQ-WZRBSPASSA-N 2 1 268.361 -1.473 20 0 CAADMP COC(=O)[C@H]1C[C@@H](N2CCN[C@@]3(CC[NH2+]C3)C2)C[NH2+]1 ZINC001246646724 781478329 /nfs/dbraw/zinc/47/83/29/781478329.db2.gz XITLCYDGTADVAI-NQBHXWOUSA-N 2 1 268.361 -1.473 20 0 CAADMP C1[NH2+]CC12C[C@@H]([N@H+]1CCN[C@]3(CC[NH2+]C3)C1)CCN2 ZINC001246645146 781478652 /nfs/dbraw/zinc/47/86/52/781478652.db2.gz UANIJWTZZNOTCE-STQMWFEESA-N 3 1 265.405 -1.282 20 0 CAADMP C1[NH2+]CC12C[C@@H](N1CCN[C@]3(CC[NH2+]C3)C1)CCN2 ZINC001246645146 781478658 /nfs/dbraw/zinc/47/86/58/781478658.db2.gz UANIJWTZZNOTCE-STQMWFEESA-N 2 1 265.405 -1.282 20 0 CAADMP COC(=O)[C@@H]1C[C@@H](N2CCN[C@]3(CC[NH2+]C3)C2)C[NH2+]1 ZINC001246646713 781479087 /nfs/dbraw/zinc/47/90/87/781479087.db2.gz XITLCYDGTADVAI-MDZLAQPJSA-N 2 1 268.361 -1.473 20 0 CAADMP COC(=O)[C@@H]1C[C@@H](N2CCO[C@H]3C[NH2+]CC[C@@H]32)C[NH2+]1 ZINC001246658759 781480088 /nfs/dbraw/zinc/48/00/88/781480088.db2.gz ANCRUCHOOVWEHO-RHYQMDGZSA-N 2 1 269.345 -1.047 20 0 CAADMP COC(=O)[C@@H]1C[C@@H](N2C[C@H]3C[NH2+]C[C@@H](C2)O3)C[NH2+]1 ZINC001246680963 781480584 /nfs/dbraw/zinc/48/05/84/781480584.db2.gz YFWXZEUMUZBTSM-ZNSHCXBVSA-N 2 1 255.318 -1.438 20 0 CAADMP NC(=O)[C@@H]1C[N@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)CCN1 ZINC001246799641 781481904 /nfs/dbraw/zinc/48/19/04/781481904.db2.gz YEGBWZGTUIFDST-ZJUUUORDSA-N 2 1 253.350 -2.161 20 0 CAADMP COC(=O)C[C@H]1C[NH2+]CCN1[C@H]1C[NH2+][C@H](C(=O)OC)C1 ZINC001246819965 781482048 /nfs/dbraw/zinc/48/20/48/781482048.db2.gz UXDSKLOUKFGFLC-VWYCJHECSA-N 2 1 285.344 -1.273 20 0 CAADMP COC(=O)[C@@H]1C[C@H](N2C[C@H]([NH3+])C[C@@H](C(=O)OC)C2)C[NH2+]1 ZINC001246795608 781482519 /nfs/dbraw/zinc/48/25/19/781482519.db2.gz CSHMKJLXSAXAAP-ZNSHCXBVSA-N 2 1 285.344 -1.288 20 0 CAADMP NC(=O)[C@@H]1C[N@H+]([C@H]2CCNC3(C[NH2+]C3)C2)CCO1 ZINC001246839256 781483266 /nfs/dbraw/zinc/48/32/66/781483266.db2.gz CKHZQUZMLMDEIZ-UWVGGRQHSA-N 2 1 254.334 -1.734 20 0 CAADMP NC(=O)[C@@H]1C[N@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)CCO1 ZINC001246839268 781483605 /nfs/dbraw/zinc/48/36/05/781483605.db2.gz CKHZQUZMLMDEIZ-ZJUUUORDSA-N 2 1 254.334 -1.734 20 0 CAADMP CC[N@@H+](C)CCC(=O)NCC[NH2+]CC(=O)NC(=O)NC ZINC001146718504 781490703 /nfs/dbraw/zinc/49/07/03/781490703.db2.gz CVUHJYRAZHPNIJ-UHFFFAOYSA-N 2 1 287.364 -1.510 20 0 CAADMP CC[N@@H+](C)CCC(=O)NCC[NH2+]CC(=O)NC(N)=O ZINC001146711997 781491206 /nfs/dbraw/zinc/49/12/06/781491206.db2.gz YVSZAFVFPKNEQW-UHFFFAOYSA-N 2 1 273.337 -1.771 20 0 CAADMP CC[NH+]1CCC(C(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@@H]32)CC1 ZINC001146793177 781491913 /nfs/dbraw/zinc/49/19/13/781491913.db2.gz WQVJNWHCZFXCAI-SDDRHHMPSA-N 2 1 282.392 -1.763 20 0 CAADMP CC[NH+]1CCC(C(=O)N2CN[C@H]([NH3+])[C@H]3NCN[C@H]32)CC1 ZINC001146793179 781492770 /nfs/dbraw/zinc/49/27/70/781492770.db2.gz WQVJNWHCZFXCAI-WOPDTQHZSA-N 2 1 282.392 -1.763 20 0 CAADMP COC(=O)[C@@H]1C[C@@H](N2CC[C@]3(C2)C[NH2+]CCO3)C[NH2+]1 ZINC001246988462 781522946 /nfs/dbraw/zinc/52/29/46/781522946.db2.gz PWVQMKPJOXTXSA-NTZNESFSSA-N 2 1 269.345 -1.046 20 0 CAADMP C[N@H+]1CC[C@H](CC(=O)NCC[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001147885604 781523049 /nfs/dbraw/zinc/52/30/49/781523049.db2.gz NNLMFVXTEBKQGS-MNOVXSKESA-N 2 1 296.371 -1.161 20 0 CAADMP C[C@@H]([NH2+]CCNC(=O)C[C@H]1CC[N@@H+](C)C1)C(N)=O ZINC001147885986 781523612 /nfs/dbraw/zinc/52/36/12/781523612.db2.gz RCCRNSDGGUOXRA-NXEZZACHSA-N 2 1 256.350 -1.092 20 0 CAADMP C[C@@H]([NH2+]CCNC(=O)C[C@@H]1CC[N@@H+](C)C1)C(=O)NC(N)=O ZINC001147899932 781524245 /nfs/dbraw/zinc/52/42/45/781524245.db2.gz CUDSEOBUGXMJNI-ZJUUUORDSA-N 2 1 299.375 -1.383 20 0 CAADMP C[C@H]([NH2+]CCNC(=O)C[C@H]1CC[N@@H+](C)C1)C(=O)NC(N)=O ZINC001147899931 781524749 /nfs/dbraw/zinc/52/47/49/781524749.db2.gz CUDSEOBUGXMJNI-VHSXEESVSA-N 2 1 299.375 -1.383 20 0 CAADMP C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N1C[C@H]2[C@H](C1)CCC[N@H+]2C ZINC001161085293 781527489 /nfs/dbraw/zinc/52/74/89/781527489.db2.gz SIKRGBZYYPKBDR-BJDJZHNGSA-N 2 1 298.387 -1.637 20 0 CAADMP CCC[N@@H+](C)CC(=O)NCC[NH2+][C@H]1CCC(=O)NC1=O ZINC001148639066 781538479 /nfs/dbraw/zinc/53/84/79/781538479.db2.gz ZKFPRHRMMZWMJN-JTQLQIEISA-N 2 1 284.360 -1.161 20 0 CAADMP CCC[N@@H+](C)CC(=O)NCC[NH2+][C@@H]1CCC(=O)NC1=O ZINC001148639067 781538560 /nfs/dbraw/zinc/53/85/60/781538560.db2.gz ZKFPRHRMMZWMJN-SNVBAGLBSA-N 2 1 284.360 -1.161 20 0 CAADMP C[C@]1(C(N)=O)CC[N@@H+](CC(=O)N2CC[NH2+]CC2)C1 ZINC000235737902 781539279 /nfs/dbraw/zinc/53/92/79/781539279.db2.gz YDVGDOVQUPYYIH-LBPRGKRZSA-N 2 1 254.334 -1.385 20 0 CAADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](N1CN[C@H]([NH3+])[C@@H]3NCN[C@H]31)C2 ZINC001172111524 781576325 /nfs/dbraw/zinc/57/63/25/781576325.db2.gz VETRIAHPXMTMJI-KTEZLCCFSA-N 2 1 280.420 -1.006 20 0 CAADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](N1CN[C@H]([NH3+])[C@@H]3NCN[C@H]31)C2 ZINC001172111524 781576330 /nfs/dbraw/zinc/57/63/30/781576330.db2.gz VETRIAHPXMTMJI-KTEZLCCFSA-N 2 1 280.420 -1.006 20 0 CAADMP COCCC[NH+]1CCC(N2CN[C@H]([NH3+])[C@H]3NCN[C@@H]32)CC1 ZINC001172250568 781576664 /nfs/dbraw/zinc/57/66/64/781576664.db2.gz YSXOMOBTUOKYBE-HZSPNIEDSA-N 2 1 298.435 -1.520 20 0 CAADMP COC(=O)[C@@H]1C[C@@H]([NH2+]C[C@@H](O)C[NH3+])C[C@@H]1C(=O)OC ZINC001173563103 781581447 /nfs/dbraw/zinc/58/14/47/781581447.db2.gz WJCHOQULXJHFJU-AATLWQCWSA-N 2 1 274.317 -1.364 20 0 CAADMP C[N@H+]1CC[C@@H](C(=O)NCCC[NH2+]CC(=O)NC(N)=O)C1 ZINC001176056257 781597440 /nfs/dbraw/zinc/59/74/40/781597440.db2.gz DWSXMKVKMKLYEX-SECBINFHSA-N 2 1 285.348 -1.771 20 0 CAADMP C[N@H+]1CC[C@H](C(=O)NCCC[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001176057709 781597500 /nfs/dbraw/zinc/59/75/00/781597500.db2.gz RMQZFFBESLLTMO-WDEREUQCSA-N 2 1 296.371 -1.161 20 0 CAADMP Cc1[nH+]ccn1CC(=O)NCCC[NH2+]CC(=O)NC(N)=O ZINC001176134466 781597665 /nfs/dbraw/zinc/59/76/65/781597665.db2.gz YMVRJSFFIYRQPZ-UHFFFAOYSA-N 2 1 296.331 -1.518 20 0 CAADMP C[C@@H]([NH2+]CCCNC(=O)[C@H]1CC[N@@H+](C)C1)C(N)=O ZINC001176056593 781597706 /nfs/dbraw/zinc/59/77/06/781597706.db2.gz HRGSFTNVPLVOSC-ZJUUUORDSA-N 2 1 256.350 -1.092 20 0 CAADMP C[N@H+]1CC[C@@H](C(=O)NCCC[NH2+][C@@H]2CCNC2=O)C1 ZINC001176071545 781597942 /nfs/dbraw/zinc/59/79/42/781597942.db2.gz FRBIPBWRIRYMST-GHMZBOCLSA-N 2 1 268.361 -1.078 20 0 CAADMP C[N@H+]1CC[C@H](C(=O)NCCC[NH2+][C@@H]2CCNC2=O)C1 ZINC001176071553 781597981 /nfs/dbraw/zinc/59/79/81/781597981.db2.gz FRBIPBWRIRYMST-WDEREUQCSA-N 2 1 268.361 -1.078 20 0 CAADMP C[C@H]([NH2+]CCCNC(=O)[C@H]1CC[N@@H+](C)C1)C(=O)NC(N)=O ZINC001176096724 781598011 /nfs/dbraw/zinc/59/80/11/781598011.db2.gz YKRPDNIJSQDLJX-UWVGGRQHSA-N 2 1 299.375 -1.383 20 0 CAADMP Cn1nnnc1C[NH2+]CCCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001176072353 781598024 /nfs/dbraw/zinc/59/80/24/781598024.db2.gz QPAZRDIQVUNQBR-JTQLQIEISA-N 2 1 281.364 -1.242 20 0 CAADMP C[N@H+]1CC[C@H](C(=O)NCCC[NH2+][C@H]2CCNC2=O)C1 ZINC001176071551 781598072 /nfs/dbraw/zinc/59/80/72/781598072.db2.gz FRBIPBWRIRYMST-QWRGUYRKSA-N 2 1 268.361 -1.078 20 0 CAADMP Cc1[nH+]ccn1CC(=O)NCCC[NH2+]CC(N)=O ZINC001176132512 781598156 /nfs/dbraw/zinc/59/81/56/781598156.db2.gz KIQSJVUFFAQSPC-UHFFFAOYSA-N 2 1 253.306 -1.227 20 0 CAADMP CC[N@H+]1CCO[C@H](C(=O)NCCC[NH2+][C@H](C)C(N)=O)C1 ZINC001176636619 781603368 /nfs/dbraw/zinc/60/33/68/781603368.db2.gz QUTXUNIDTAKHHN-MNOVXSKESA-N 2 1 286.376 -1.323 20 0 CAADMP CC[N@@H+]1CCO[C@H](C(=O)NCCC[NH2+][C@H](C)C(N)=O)C1 ZINC001176636619 781603356 /nfs/dbraw/zinc/60/33/56/781603356.db2.gz QUTXUNIDTAKHHN-MNOVXSKESA-N 2 1 286.376 -1.323 20 0 CAADMP CC[N@@H+]1CCO[C@@H](C(=O)NCCC[NH2+]CC(=O)NC)C1 ZINC001176628696 781603587 /nfs/dbraw/zinc/60/35/87/781603587.db2.gz WSLXZTLBHNOZPD-LLVKDONJSA-N 2 1 286.376 -1.451 20 0 CAADMP CC[N@H+]1CCO[C@@H](C(=O)NCCC[NH2+]CC(=O)NC)C1 ZINC001176628696 781603592 /nfs/dbraw/zinc/60/35/92/781603592.db2.gz WSLXZTLBHNOZPD-LLVKDONJSA-N 2 1 286.376 -1.451 20 0 CAADMP CC[N@@H+]1CCO[C@H](C(=O)NCCC[NH2+]CCO)C1 ZINC001176637181 781603691 /nfs/dbraw/zinc/60/36/91/781603691.db2.gz YYMIHBYKFYGHJE-NSHDSACASA-N 2 1 259.350 -1.205 20 0 CAADMP CC[N@H+]1CCO[C@H](C(=O)NCCC[NH2+]CCO)C1 ZINC001176637181 781603695 /nfs/dbraw/zinc/60/36/95/781603695.db2.gz YYMIHBYKFYGHJE-NSHDSACASA-N 2 1 259.350 -1.205 20 0 CAADMP CC[N@@H+]1CCO[C@@H](C(=O)NCCC[NH2+][C@H](C)C(N)=O)C1 ZINC001176636618 781604394 /nfs/dbraw/zinc/60/43/94/781604394.db2.gz QUTXUNIDTAKHHN-GHMZBOCLSA-N 2 1 286.376 -1.323 20 0 CAADMP CC[N@H+]1CCO[C@@H](C(=O)NCCC[NH2+][C@H](C)C(N)=O)C1 ZINC001176636618 781604399 /nfs/dbraw/zinc/60/43/99/781604399.db2.gz QUTXUNIDTAKHHN-GHMZBOCLSA-N 2 1 286.376 -1.323 20 0 CAADMP CC[N@@H+]1CCO[C@@H](C(=O)NCCC[NH2+][C@@H]2CCNC2=O)C1 ZINC001176644177 781604448 /nfs/dbraw/zinc/60/44/48/781604448.db2.gz NEGDIGZYVVHISD-VXGBXAGGSA-N 2 1 298.387 -1.309 20 0 CAADMP CC[N@H+]1CCO[C@@H](C(=O)NCCC[NH2+][C@@H]2CCNC2=O)C1 ZINC001176644177 781604453 /nfs/dbraw/zinc/60/44/53/781604453.db2.gz NEGDIGZYVVHISD-VXGBXAGGSA-N 2 1 298.387 -1.309 20 0 CAADMP C[NH+]1CCN(CC(=O)n2cc(C[NH3+])cnc2=N)CC1 ZINC001178956025 781642824 /nfs/dbraw/zinc/64/28/24/781642824.db2.gz JJVTYGLXOKGSCU-UHFFFAOYSA-N 2 1 264.333 -1.291 20 0 CAADMP C[N@H+](CC(=O)N1CN[C@H]([NH3+])[C@@H]2NCN[C@H]21)C1CCCC1 ZINC001180630922 781673130 /nfs/dbraw/zinc/67/31/30/781673130.db2.gz RUWCGBZAAJTTDT-AVGNSLFASA-N 2 1 282.392 -1.620 20 0 CAADMP C[N@@H+](CC(=O)N1CN[C@H]([NH3+])[C@@H]2NCN[C@H]21)C1CCCC1 ZINC001180630922 781673133 /nfs/dbraw/zinc/67/31/33/781673133.db2.gz RUWCGBZAAJTTDT-AVGNSLFASA-N 2 1 282.392 -1.620 20 0 CAADMP C[N@H+](CC(=O)N1CN[C@H]([NH3+])[C@H]2NCN[C@H]21)C1CCCC1 ZINC001180630921 781673344 /nfs/dbraw/zinc/67/33/44/781673344.db2.gz RUWCGBZAAJTTDT-AGIUHOORSA-N 2 1 282.392 -1.620 20 0 CAADMP C[N@@H+](CC(=O)N1CN[C@H]([NH3+])[C@H]2NCN[C@H]21)C1CCCC1 ZINC001180630921 781673352 /nfs/dbraw/zinc/67/33/52/781673352.db2.gz RUWCGBZAAJTTDT-AGIUHOORSA-N 2 1 282.392 -1.620 20 0 CAADMP [NH3+][C@@H]1NCN(C(=O)CC23CCC[NH+]2CCC3)[C@@H]2NCN[C@H]21 ZINC001181114308 781686385 /nfs/dbraw/zinc/68/63/85/781686385.db2.gz NQKKEOLAAJTDDE-XQQFMLRXSA-N 2 1 294.403 -1.476 20 0 CAADMP [NH3+][C@@H]1NCN(C(=O)CC23CCC[NH+]2CCC3)[C@H]2NCN[C@H]21 ZINC001181114310 781686628 /nfs/dbraw/zinc/68/66/28/781686628.db2.gz NQKKEOLAAJTDDE-YNEHKIRRSA-N 2 1 294.403 -1.476 20 0 CAADMP [NH3+][C@@H]1NCN(C(=O)C23CC[NH+](CC2)CC3)[C@@H]2NCN[C@@H]21 ZINC001181555964 781694602 /nfs/dbraw/zinc/69/46/02/781694602.db2.gz UVMKEVAIQHRAPM-MXWKQRLJSA-N 2 1 280.376 -2.009 20 0 CAADMP [NH3+][C@@H]1NCN(C(=O)C23CC[NH+](CC2)CC3)[C@@H]2NCN[C@H]21 ZINC001181555958 781694858 /nfs/dbraw/zinc/69/48/58/781694858.db2.gz UVMKEVAIQHRAPM-AXFHLTTASA-N 2 1 280.376 -2.009 20 0 CAADMP C[N@H+]1CC[C@@H](C(=O)NCC[NH2+][C@H]2CCNC2=O)C1 ZINC001151049410 781695985 /nfs/dbraw/zinc/69/59/85/781695985.db2.gz NPUFOJOKLXVOTB-ZJUUUORDSA-N 2 1 254.334 -1.468 20 0 CAADMP C[N@H+]1CC[C@H](C(=O)NCC[NH2+][C@H]2CCNC2=O)C1 ZINC001151049408 781696405 /nfs/dbraw/zinc/69/64/05/781696405.db2.gz NPUFOJOKLXVOTB-UWVGGRQHSA-N 2 1 254.334 -1.468 20 0 CAADMP C[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001181651378 781697670 /nfs/dbraw/zinc/69/76/70/781697670.db2.gz BPOCMKSBEHDOME-ZJUUUORDSA-N 2 1 297.359 -1.534 20 0 CAADMP C[N@@H+]1CCO[C@H](C(=O)N2CC[C@@H]([NH2+]CCCO)C2)C1 ZINC001181822655 781701100 /nfs/dbraw/zinc/70/11/00/781701100.db2.gz SWLCPCVOHZYXHG-NEPJUHHUSA-N 2 1 271.361 -1.110 20 0 CAADMP C[N@H+]1CCO[C@H](C(=O)N2CC[C@@H]([NH2+]CCCO)C2)C1 ZINC001181822655 781701108 /nfs/dbraw/zinc/70/11/08/781701108.db2.gz SWLCPCVOHZYXHG-NEPJUHHUSA-N 2 1 271.361 -1.110 20 0 CAADMP CNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001151065875 781701369 /nfs/dbraw/zinc/70/13/69/781701369.db2.gz NYMWDADOXWLDBM-ZJUUUORDSA-N 2 1 299.375 -1.512 20 0 CAADMP C[N@H+]1CC[C@@H](C(=O)NCC[NH2+]CCN2C(=O)CNC2=O)C1 ZINC001151064644 781701495 /nfs/dbraw/zinc/70/14/95/781701495.db2.gz CJUYXKQEZMXEFX-SNVBAGLBSA-N 2 1 297.359 -1.804 20 0 CAADMP [NH3+][C@@H]1NCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)[C@H]2NCN[C@H]21 ZINC001182017892 781705894 /nfs/dbraw/zinc/70/58/94/781705894.db2.gz UGDRRKBUVSPZOG-WRWGMCAJSA-N 2 1 280.376 -2.153 20 0 CAADMP [NH3+][C@@H]1NCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)[C@@H]2NCN[C@@H]21 ZINC001182017890 781706572 /nfs/dbraw/zinc/70/65/72/781706572.db2.gz UGDRRKBUVSPZOG-KKOKHZNYSA-N 2 1 280.376 -2.153 20 0 CAADMP Cn1cc(C[N@H+]2C[C@H](O)[C@@H](C[NH3+])C2)c(=O)n(C)c1=O ZINC001206524977 781724913 /nfs/dbraw/zinc/72/49/13/781724913.db2.gz DWPBIWGNLRLREP-WPRPVWTQSA-N 2 1 268.317 -2.165 20 0 CAADMP CC(C)[C@H](C(=O)N1CN[C@H]([NH3+])[C@@H]2NCN[C@H]21)[NH+](C)C ZINC001183366631 781743016 /nfs/dbraw/zinc/74/30/16/781743016.db2.gz VERAQSWATRTVIT-VLEAKVRGSA-N 2 1 270.381 -1.908 20 0 CAADMP CNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001183577043 781746041 /nfs/dbraw/zinc/74/60/41/781746041.db2.gz VRYIJXXIENOEET-IJLUTSLNSA-N 2 1 298.387 -1.358 20 0 CAADMP CNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001183577043 781746046 /nfs/dbraw/zinc/74/60/46/781746046.db2.gz VRYIJXXIENOEET-IJLUTSLNSA-N 2 1 298.387 -1.358 20 0 CAADMP C[NH+](C)CCCCC(=O)N1CN[C@H]([NH3+])[C@H]2NCN[C@H]21 ZINC001184061604 781762955 /nfs/dbraw/zinc/76/29/55/781762955.db2.gz MMFKJGULQDGNDM-WOPDTQHZSA-N 2 1 270.381 -1.763 20 0 CAADMP C[NH+](C)CCCCC(=O)N1CN[C@H]([NH3+])[C@@H]2NCN[C@H]21 ZINC001184061603 781763010 /nfs/dbraw/zinc/76/30/10/781763010.db2.gz MMFKJGULQDGNDM-SRVKXCTJSA-N 2 1 270.381 -1.763 20 0 CAADMP CN1CC[N@@H+](C)C[C@H]1C(=O)N(CC[NH3+])S(C)(=O)=O ZINC001185246075 781776918 /nfs/dbraw/zinc/77/69/18/781776918.db2.gz ZGMRAMKWSMGJSW-VIFPVBQESA-N 2 1 278.378 -2.021 20 0 CAADMP CN1CC[N@H+](C)C[C@H]1C(=O)N(CC[NH3+])S(C)(=O)=O ZINC001185246075 781776914 /nfs/dbraw/zinc/77/69/14/781776914.db2.gz ZGMRAMKWSMGJSW-VIFPVBQESA-N 2 1 278.378 -2.021 20 0 CAADMP CN1CC[N@@H+](C)C[C@@H]1C(=O)NCCN1CCC[NH+](C)CC1 ZINC001185261300 781780044 /nfs/dbraw/zinc/78/00/44/781780044.db2.gz DIWRJGDQTYWAPV-CQSZACIVSA-N 2 1 297.447 -1.014 20 0 CAADMP CN1CC[NH+](C)C[C@@H]1C(=O)NCCN1CCC[N@H+](C)CC1 ZINC001185261300 781780054 /nfs/dbraw/zinc/78/00/54/781780054.db2.gz DIWRJGDQTYWAPV-CQSZACIVSA-N 2 1 297.447 -1.014 20 0 CAADMP CN1CC[NH+](C)C[C@@H]1C(=O)NCCN1CCC[N@@H+](C)CC1 ZINC001185261300 781780064 /nfs/dbraw/zinc/78/00/64/781780064.db2.gz DIWRJGDQTYWAPV-CQSZACIVSA-N 2 1 297.447 -1.014 20 0 CAADMP CCOC(=O)CN(CC[NH3+])C(=O)[C@H]1C[N@@H+](C)CCN1C ZINC001185267235 781781746 /nfs/dbraw/zinc/78/17/46/781781746.db2.gz PRKYKKAWPXODJT-LLVKDONJSA-N 2 1 286.376 -1.417 20 0 CAADMP C[NH+](C)C[C@@H]1COCCN1C(=O)C[N@@H+]1CC[C@@H](O)C1 ZINC001186044807 781794496 /nfs/dbraw/zinc/79/44/96/781794496.db2.gz KSKWXFCIDLHJNI-VXGBXAGGSA-N 2 1 271.361 -1.158 20 0 CAADMP C[NH+](C)C[C@@H]1COCCN1C(=O)C[N@H+]1CC[C@@H](O)C1 ZINC001186044807 781794501 /nfs/dbraw/zinc/79/45/01/781794501.db2.gz KSKWXFCIDLHJNI-VXGBXAGGSA-N 2 1 271.361 -1.158 20 0 CAADMP N=c1cc(C[NH3+])ncn1C(=O)C[N@@H+]1CC[C@@H](O)C1 ZINC001186049109 781796547 /nfs/dbraw/zinc/79/65/47/781796547.db2.gz KGNLETBOMGHVCN-SECBINFHSA-N 2 1 251.290 -1.472 20 0 CAADMP N=c1cc(C[NH3+])ncn1C(=O)C[N@H+]1CC[C@@H](O)C1 ZINC001186049109 781796552 /nfs/dbraw/zinc/79/65/52/781796552.db2.gz KGNLETBOMGHVCN-SECBINFHSA-N 2 1 251.290 -1.472 20 0 CAADMP C[N@@H+]1CCCN(CCNC(=O)C[NH+]2CC[C@H](O)C2)CC1 ZINC001186054964 781799441 /nfs/dbraw/zinc/79/94/41/781799441.db2.gz JWCDLWBQXWJXQH-ZDUSSCGKSA-N 2 1 284.404 -1.193 20 0 CAADMP C[N@H+]1CCCN(CCNC(=O)C[NH+]2CC[C@H](O)C2)CC1 ZINC001186054964 781799451 /nfs/dbraw/zinc/79/94/51/781799451.db2.gz JWCDLWBQXWJXQH-ZDUSSCGKSA-N 2 1 284.404 -1.193 20 0 CAADMP C[NH+]1CCCN(CCNC(=O)C[N@@H+]2CC[C@H](O)C2)CC1 ZINC001186054964 781799457 /nfs/dbraw/zinc/79/94/57/781799457.db2.gz JWCDLWBQXWJXQH-ZDUSSCGKSA-N 2 1 284.404 -1.193 20 0 CAADMP C[NH+]1CCCN(CCNC(=O)C[N@H+]2CC[C@H](O)C2)CC1 ZINC001186054964 781799465 /nfs/dbraw/zinc/79/94/65/781799465.db2.gz JWCDLWBQXWJXQH-ZDUSSCGKSA-N 2 1 284.404 -1.193 20 0 CAADMP C[N@@H+]1CCC[C@H](C(=O)N2CN[C@H]([NH3+])[C@H]3NCN[C@@H]32)C1 ZINC001186370135 781803741 /nfs/dbraw/zinc/80/37/41/781803741.db2.gz QODLMWIMADVFAT-ZRUFSTJUSA-N 2 1 268.365 -2.153 20 0 CAADMP C[N@H+]1CCC[C@H](C(=O)N2CN[C@H]([NH3+])[C@H]3NCN[C@@H]32)C1 ZINC001186370135 781803758 /nfs/dbraw/zinc/80/37/58/781803758.db2.gz QODLMWIMADVFAT-ZRUFSTJUSA-N 2 1 268.365 -2.153 20 0 CAADMP C[N@@H+]1CCC[C@H](C(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@H]32)C1 ZINC001186370123 781803949 /nfs/dbraw/zinc/80/39/49/781803949.db2.gz QODLMWIMADVFAT-NAKRPEOUSA-N 2 1 268.365 -2.153 20 0 CAADMP C[N@H+]1CCC[C@H](C(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@H]32)C1 ZINC001186370123 781803953 /nfs/dbraw/zinc/80/39/53/781803953.db2.gz QODLMWIMADVFAT-NAKRPEOUSA-N 2 1 268.365 -2.153 20 0 CAADMP CNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001187817943 781831003 /nfs/dbraw/zinc/83/10/03/781831003.db2.gz LRXZMVDBJCTJEA-WDEREUQCSA-N 2 1 268.361 -1.125 20 0 CAADMP CC[N@@H+]1CCO[C@H](C(=O)N2CC[C@@H]([NH2+]CC(=O)NC)C2)C1 ZINC001187982975 781832748 /nfs/dbraw/zinc/83/27/48/781832748.db2.gz VFOUCIXTGYEOCP-NEPJUHHUSA-N 2 1 298.387 -1.356 20 0 CAADMP CC[N@H+]1CCO[C@H](C(=O)N2CC[C@@H]([NH2+]CC(=O)NC)C2)C1 ZINC001187982975 781832758 /nfs/dbraw/zinc/83/27/58/781832758.db2.gz VFOUCIXTGYEOCP-NEPJUHHUSA-N 2 1 298.387 -1.356 20 0 CAADMP CC(C)[N@@H+](C)CC(=O)N1CC[C@@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001188145751 781836135 /nfs/dbraw/zinc/83/61/35/781836135.db2.gz MXUJWKXOESBQKL-SNVBAGLBSA-N 2 1 299.375 -1.288 20 0 CAADMP CC[N@@H+]1CCO[C@H](C(=O)NCC[NH2+]CCOCCO)C1 ZINC001151739015 781848259 /nfs/dbraw/zinc/84/82/59/781848259.db2.gz KCIPDTHUCDDDIT-LBPRGKRZSA-N 2 1 289.376 -1.578 20 0 CAADMP CC[N@H+]1CCO[C@H](C(=O)NCC[NH2+]CCOCCO)C1 ZINC001151739015 781848265 /nfs/dbraw/zinc/84/82/65/781848265.db2.gz KCIPDTHUCDDDIT-LBPRGKRZSA-N 2 1 289.376 -1.578 20 0 CAADMP CC[N@@H+]1CCO[C@H](C(=O)NCC[NH2+]CC(=O)N2CCC2)C1 ZINC001151749382 781851737 /nfs/dbraw/zinc/85/17/37/781851737.db2.gz WQCBFHJXODGVPL-LBPRGKRZSA-N 2 1 298.387 -1.355 20 0 CAADMP CC[N@H+]1CCO[C@H](C(=O)NCC[NH2+]CC(=O)N2CCC2)C1 ZINC001151749382 781851745 /nfs/dbraw/zinc/85/17/45/781851745.db2.gz WQCBFHJXODGVPL-LBPRGKRZSA-N 2 1 298.387 -1.355 20 0 CAADMP CCNC(=O)C[NH2+]CCNC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001151748757 781852079 /nfs/dbraw/zinc/85/20/79/781852079.db2.gz KIHXHRRHYSIDIW-LLVKDONJSA-N 2 1 286.376 -1.451 20 0 CAADMP CCNC(=O)C[NH2+]CCNC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001151748757 781852091 /nfs/dbraw/zinc/85/20/91/781852091.db2.gz KIHXHRRHYSIDIW-LLVKDONJSA-N 2 1 286.376 -1.451 20 0 CAADMP C[NH+](C)CCOCC(=O)N[C@@H]1[C@H]2C[N@H+](CC(N)=O)C[C@H]21 ZINC001115126596 781908483 /nfs/dbraw/zinc/90/84/83/781908483.db2.gz QCIFVXAINYCFMU-IWIIMEHWSA-N 2 1 284.360 -1.904 20 0 CAADMP C[NH+](C)CCOCC(=O)N[C@@H]1[C@H]2C[N@@H+](CC(N)=O)C[C@H]21 ZINC001115126596 781908493 /nfs/dbraw/zinc/90/84/93/781908493.db2.gz QCIFVXAINYCFMU-IWIIMEHWSA-N 2 1 284.360 -1.904 20 0 CAADMP