smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CNC(=O)NC(=O)C[NH2+]C1(CNC(=O)CC[NH+](C)C)CC1 ZINC001420970155 890477441 /nfs/dbraw/zinc/47/74/41/890477441.db2.gz RDABJSFQFQGHMQ-UHFFFAOYSA-N 2 0 299.375 -1.368 20 0 CAADRP C[NH+](C)CCC(=O)NC1(C[NH2+]CC(N)=O)CCOCC1 ZINC001424429979 890733470 /nfs/dbraw/zinc/73/34/70/890733470.db2.gz WDXXUULDUZIJBS-UHFFFAOYSA-N 2 0 286.376 -1.322 20 0 CAADRP COC(=O)[C@H](CCCC[NH3+])NC[C@@]1(O)CC[NH2+]C1 ZINC001245978150 884079394 /nfs/dbraw/zinc/07/93/94/884079394.db2.gz JFKMXPYFSOVYOC-CMPLNLGQSA-N 2 0 259.350 -1.029 20 0 CAADRP CC[NH+](CC)C[C@H](O)CN[C@]12CC[NH2+][C@H]1CC(=O)N2 ZINC001245978446 884079464 /nfs/dbraw/zinc/07/94/64/884079464.db2.gz LXWOTNJRILZXBI-MDZLAQPJSA-N 2 0 270.377 -1.143 20 0 CAADRP CC(C)(C)[NH2+]C[C@@H](O)CN[C@]12CC[NH2+][C@@H]1CC(=O)N2 ZINC001245979289 884079543 /nfs/dbraw/zinc/07/95/43/884079543.db2.gz SKIJTTWXQXIJLU-BREBYQMCSA-N 2 0 270.377 -1.097 20 0 CAADRP CNC(=O)C[NH2+][C@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001317228061 884178857 /nfs/dbraw/zinc/17/88/57/884178857.db2.gz DYTYDISRRKQXBZ-ZJUUUORDSA-N 2 0 256.350 -1.079 20 0 CAADRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](O)C[NH2+]CCCO ZINC001320204182 884385732 /nfs/dbraw/zinc/38/57/32/884385732.db2.gz OPCQBNQDYJLZIP-GHMZBOCLSA-N 2 0 259.350 -1.470 20 0 CAADRP CN1CCN(Cc2cn(CC(N)=O)nn2)[C@@H](C[NH3+])C1 ZINC001326203009 884774720 /nfs/dbraw/zinc/77/47/20/884774720.db2.gz YQSSUAAZBFGBAJ-JTQLQIEISA-N 2 0 267.337 -2.162 20 0 CAADRP [NH3+]C[C@@H]1CN(CC(=O)N2CC[NH2+]CC2)CCCO1 ZINC001326310714 884784939 /nfs/dbraw/zinc/78/49/39/884784939.db2.gz ISSWTTCIRNIBQS-LLVKDONJSA-N 2 0 256.350 -1.532 20 0 CAADRP CC[N@@H+]1CCC[C@@H](CNC(=O)CNC(=O)C[NH3+])C1 ZINC001326356506 884787886 /nfs/dbraw/zinc/78/78/86/884787886.db2.gz MUYLIFNEDGGFIP-JTQLQIEISA-N 2 0 256.350 -1.091 20 0 CAADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)[C@H](N)CC[NH+](C)C)CCO1 ZINC001326576438 884811258 /nfs/dbraw/zinc/81/12/58/884811258.db2.gz DRMMRFAEOZWKLK-AXFHLTTASA-N 2 0 258.366 -1.160 20 0 CAADRP C[C@H]([NH3+])[C@H]1CN(C(=O)[C@@H](N)CC[NH+](C)C)CCO1 ZINC001326576460 884812142 /nfs/dbraw/zinc/81/21/42/884812142.db2.gz DRMMRFAEOZWKLK-GARJFASQSA-N 2 0 258.366 -1.160 20 0 CAADRP C[NH+]1CCN(CCNC(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)CC1 ZINC001327196761 884866801 /nfs/dbraw/zinc/86/68/01/884866801.db2.gz WIZVXOCKKKKICX-GDNZZTSVSA-N 2 0 252.362 -1.185 20 0 CAADRP [NH3+]CCn1cc(C(=O)NC[C@H]2CCC[NH2+]C2)nn1 ZINC001327495549 884892994 /nfs/dbraw/zinc/89/29/94/884892994.db2.gz IBJRGCORQIWHTD-VIFPVBQESA-N 2 0 252.322 -1.034 20 0 CAADRP [NH3+]CCn1cc(C(=O)NC[C@@H]2CCC[NH2+]C2)nn1 ZINC001327495548 884893044 /nfs/dbraw/zinc/89/30/44/884893044.db2.gz IBJRGCORQIWHTD-SECBINFHSA-N 2 0 252.322 -1.034 20 0 CAADRP COC(=O)[C@H]1C[NH2+]CCCN1C[C@@H]1C[NH2+]CCO1 ZINC001327595768 884909281 /nfs/dbraw/zinc/90/92/81/884909281.db2.gz DWIULCAIRVVSAG-WDEREUQCSA-N 2 0 257.334 -1.188 20 0 CAADRP CN(C)C(=O)[C@H]1CN(C[C@H]2C[NH2+]CCO2)CC[NH2+]1 ZINC001327597999 884909799 /nfs/dbraw/zinc/90/97/99/884909799.db2.gz WFXGYUKXMHWVKJ-GHMZBOCLSA-N 2 0 256.350 -1.663 20 0 CAADRP CN(C)C(=O)[C@@H]1CN(C[C@@H]2C[NH2+]CCO2)CC[NH2+]1 ZINC001327598001 884910301 /nfs/dbraw/zinc/91/03/01/884910301.db2.gz WFXGYUKXMHWVKJ-QWRGUYRKSA-N 2 0 256.350 -1.663 20 0 CAADRP NC(=O)CN1CCC[C@@H](NC(=O)[C@H]2C[C@H]([NH3+])C2)C1 ZINC001327601150 884908614 /nfs/dbraw/zinc/90/86/14/884908614.db2.gz GXDXSZKNTIQYSY-OPRDCNLKSA-N 2 0 254.334 -1.210 20 0 CAADRP C[NH+]1CCN(C[C@H](O)C[NH2+]CCOCCCO)CC1 ZINC001328413192 884984638 /nfs/dbraw/zinc/98/46/38/884984638.db2.gz WTDIFURAZGOFTN-CYBMUJFWSA-N 2 0 275.393 -1.417 20 0 CAADRP CN(CCOCC[NH3+])C(=O)NC[C@H]1COCC[NH2+]1 ZINC001328966679 885041451 /nfs/dbraw/zinc/04/14/51/885041451.db2.gz YKPMROSBTQYLJX-JTQLQIEISA-N 2 0 260.338 -1.409 20 0 CAADRP O[C@H](C[NH2+]C[C@H](O)C[NH+]1CCCC1)Cn1ccnn1 ZINC001329223833 885078340 /nfs/dbraw/zinc/07/83/40/885078340.db2.gz WLUAWJUQAOVFSZ-NWDGAFQWSA-N 2 0 269.349 -1.315 20 0 CAADRP CN(C1CC[NH2+]CC1)S(=O)(=O)N1CC[C@@H]([NH3+])C1 ZINC001329376980 885093817 /nfs/dbraw/zinc/09/38/17/885093817.db2.gz WHMCMVYDZUDVNF-SECBINFHSA-N 2 0 262.379 -1.052 20 0 CAADRP O=C(C[C@H]1COCC[NH2+]1)NC[C@@H]1C[NH2+]CCCO1 ZINC001329373276 885094159 /nfs/dbraw/zinc/09/41/59/885094159.db2.gz WOVHPJAKXOJWIL-QWRGUYRKSA-N 2 0 257.334 -1.140 20 0 CAADRP [NH3+]C[C@H]1CCN(S(=O)(=O)C[C@H]2C[NH2+]CCO2)C1 ZINC001330365623 885187871 /nfs/dbraw/zinc/18/78/71/885187871.db2.gz MZPMFIBSOHKLSV-NXEZZACHSA-N 2 0 263.363 -1.415 20 0 CAADRP COC[C@@]1(C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)C[NH2+]CCO1 ZINC001330614035 885215372 /nfs/dbraw/zinc/21/53/72/885215372.db2.gz HDDQFELWMYOTLO-FYLLDIAZSA-N 2 0 255.318 -1.675 20 0 CAADRP [NH3+]CC1(NC(=O)C[C@H]2C[NH2+]CCO2)CCOCC1 ZINC001331724962 885320375 /nfs/dbraw/zinc/32/03/75/885320375.db2.gz JSHYDUVYBWHCTG-JTQLQIEISA-N 2 0 257.334 -1.011 20 0 CAADRP c1c(CN2CC[NH2+]CC2)nnn1C[C@@H]1C[NH2+]CCO1 ZINC001331857655 885359352 /nfs/dbraw/zinc/35/93/52/885359352.db2.gz MMUDSUSKHJEWGZ-LBPRGKRZSA-N 2 0 266.349 -1.328 20 0 CAADRP COCC[NH2+]CC(=O)N[C@H]1CCCN(CC(N)=O)C1 ZINC001332518182 885416046 /nfs/dbraw/zinc/41/60/46/885416046.db2.gz WRTDQVVJKGSGHQ-JTQLQIEISA-N 2 0 272.349 -1.712 20 0 CAADRP C[C@@H]([NH3+])CNC(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC001332671904 885433013 /nfs/dbraw/zinc/43/30/13/885433013.db2.gz FIIZYFXAFQVDPD-SECBINFHSA-N 2 0 282.348 -1.153 20 0 CAADRP CC[C@@H](C(=O)N(C)C[C@@H](O)C[NH2+]CCO)[NH+](C)C ZINC001332575992 885423292 /nfs/dbraw/zinc/42/32/92/885423292.db2.gz WAQSXZWYPMKOQE-QWRGUYRKSA-N 2 0 261.366 -1.272 20 0 CAADRP COC1(C(=O)NC[C@@H]2COCC[NH2+]2)CC[NH2+]CC1 ZINC001332981842 885453882 /nfs/dbraw/zinc/45/38/82/885453882.db2.gz PWEQHTQCPPXMNE-SNVBAGLBSA-N 2 0 257.334 -1.140 20 0 CAADRP [NH3+]C1(CNC(=O)C[C@@H]2COCC[NH2+]2)CCOCC1 ZINC001333353016 885474717 /nfs/dbraw/zinc/47/47/17/885474717.db2.gz ORIQGLHBOVFXHI-SNVBAGLBSA-N 2 0 257.334 -1.011 20 0 CAADRP C=CC(=O)NCC[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC001335365280 885614973 /nfs/dbraw/zinc/61/49/73/885614973.db2.gz HAUMBECYKCCDDY-GFCCVEGCSA-N 2 0 270.377 -1.514 20 0 CAADRP C[NH+]1CCN(CCC[NH2+]CCC(=O)NC(N)=O)CC1 ZINC001336724593 885681734 /nfs/dbraw/zinc/68/17/34/885681734.db2.gz WFANDICRANBQQL-UHFFFAOYSA-N 2 0 271.365 -1.202 20 0 CAADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]CC[C@@]2(O)CCOC2)CC1 ZINC001336799162 885684236 /nfs/dbraw/zinc/68/42/36/885684236.db2.gz KYPMYXDVGTXBJF-UONOGXRCSA-N 2 0 287.404 -1.274 20 0 CAADRP [NH3+]CC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC001339306656 885767537 /nfs/dbraw/zinc/76/75/37/885767537.db2.gz QKRHWICEUIINGX-HLTSFMKQSA-N 2 0 254.290 -1.661 20 0 CAADRP [NH3+]C[C@@H]1CC(C(=O)N[C@H]2COC3(C[NH2+]C3)C2)=NO1 ZINC001340615913 885806241 /nfs/dbraw/zinc/80/62/41/885806241.db2.gz QFVHDDDJJCTYNI-SFYZADRCSA-N 2 0 254.290 -1.663 20 0 CAADRP [NH3+]C[C@@H]1CC(C(=O)N[C@@H]2COC3(C[NH2+]C3)C2)=NO1 ZINC001340615914 885806765 /nfs/dbraw/zinc/80/67/65/885806765.db2.gz QFVHDDDJJCTYNI-YUMQZZPRSA-N 2 0 254.290 -1.663 20 0 CAADRP [NH3+]C[C@@H](NC(=O)[C@H]1CC(=O)N(C2C[NH2+]C2)C1)C1CC1 ZINC001340487188 885801005 /nfs/dbraw/zinc/80/10/05/885801005.db2.gz XKNRAXOJZOMMKO-GXSJLCMTSA-N 2 0 266.345 -1.340 20 0 CAADRP CO[C@H](C[NH3+])CC(=O)N1CCC[C@H]([NH2+]CCO)C1 ZINC001340731053 885813216 /nfs/dbraw/zinc/81/32/16/885813216.db2.gz XWNPQMSJTJWFPV-QWRGUYRKSA-N 2 0 259.350 -1.077 20 0 CAADRP CN(CCC[NH3+])C(=O)[C@@H]1CCCN(CC[NH3+])C1=O ZINC001340622287 885809923 /nfs/dbraw/zinc/80/99/23/885809923.db2.gz QHDOCYJVJOBKBT-JTQLQIEISA-N 2 0 256.350 -1.009 20 0 CAADRP [NH3+]C[C@H](O)CNC(=O)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC001340756818 885811371 /nfs/dbraw/zinc/81/13/71/885811371.db2.gz ZHWNJIKKXRBSJQ-POYBYMJQSA-N 2 0 255.240 -1.036 20 0 CAADRP O=C(C[C@]1(O)CCC[NH2+]C1)N1CC[NH2+]C[C@@H]1CO ZINC001340845056 885815974 /nfs/dbraw/zinc/81/59/74/885815974.db2.gz HDPSREDHJYLQOU-ZYHUDNBSSA-N 2 0 257.334 -1.716 20 0 CAADRP [NH3+][C@@]1(CO)CCCN(C(=O)C[C@@H]2C[NH2+]CCO2)C1 ZINC001341116437 885826173 /nfs/dbraw/zinc/82/61/73/885826173.db2.gz PEAILAXWGGOJQU-PWSUYJOCSA-N 2 0 257.334 -1.323 20 0 CAADRP COCC[C@@H]1C[NH2+]CCN1C(=O)[C@H]1C[NH2+]CCO1 ZINC001341465855 885842324 /nfs/dbraw/zinc/84/23/24/885842324.db2.gz JTEGOURFQTUCSH-GHMZBOCLSA-N 2 0 257.334 -1.188 20 0 CAADRP CO[C@@H](C[NH3+])C(=O)N1CCC2(CC1)C[NH2+]CCO2 ZINC001341206243 885829879 /nfs/dbraw/zinc/82/98/79/885829879.db2.gz NBTYLLIQBGRRJC-JTQLQIEISA-N 2 0 257.334 -1.059 20 0 CAADRP [NH3+]CCn1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)nn1 ZINC001341547324 885844037 /nfs/dbraw/zinc/84/40/37/885844037.db2.gz OSJDCXZZLAHQSR-HRDYMLBCSA-N 2 0 250.306 -1.141 20 0 CAADRP C[C@]1(C(=O)N[C@@H]2COC3(C[NH2+]C3)C2)C[NH2+]CCO1 ZINC001342124330 885870858 /nfs/dbraw/zinc/87/08/58/885870858.db2.gz BREOAZYJTCSCHL-GXSJLCMTSA-N 2 0 255.318 -1.388 20 0 CAADRP C[C@@H]([NH3+])CONC(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC001342163856 885875829 /nfs/dbraw/zinc/87/58/29/885875829.db2.gz PWOIIOYNWZILJI-NXEZZACHSA-N 2 0 272.349 -1.209 20 0 CAADRP CN1CCN(C(=O)[C@@H]2CCCN(CC[NH3+])C2=O)CC1 ZINC001341732460 885855433 /nfs/dbraw/zinc/85/54/33/885855433.db2.gz KBXBJVJNFMYHQY-LLVKDONJSA-N 2 0 268.361 -1.042 20 0 CAADRP COC[C@H]([NH3+])C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC001341789539 885858148 /nfs/dbraw/zinc/85/81/48/885858148.db2.gz YXFCILXFYDDPGR-QWRGUYRKSA-N 2 0 256.350 -1.534 20 0 CAADRP CCO[C@H](CNC(=O)CNC(=O)C[NH3+])C[NH+](C)C ZINC001341793945 885858246 /nfs/dbraw/zinc/85/82/46/885858246.db2.gz GRVAETCUOQVVTA-SECBINFHSA-N 2 0 260.338 -1.856 20 0 CAADRP COC[C@@H]1C[NH2+]CCN1C(=O)C[C@H]1COCC[NH2+]1 ZINC001342293985 885880490 /nfs/dbraw/zinc/88/04/90/885880490.db2.gz GOMYIBAXDPBYHN-QWRGUYRKSA-N 2 0 257.334 -1.188 20 0 CAADRP C[C@@]1(NC(=O)[C@H]2CC(=O)N(C3C[NH2+]C3)C2)CC[NH2+]C1 ZINC001342268884 885880808 /nfs/dbraw/zinc/88/08/08/885880808.db2.gz CPZGPIXCKORPDT-TVQRCGJNSA-N 2 0 266.345 -1.325 20 0 CAADRP [NH3+]CCCOCCNC(=O)[C@H]1CC(=O)N(C2C[NH2+]C2)C1 ZINC001342320186 885882703 /nfs/dbraw/zinc/88/27/03/885882703.db2.gz IRFUQPNGLSYNSV-JTQLQIEISA-N 2 0 284.360 -1.712 20 0 CAADRP [NH3+]CCCn1ccc(C(=O)NC[C@@H]2COCC[NH2+]2)n1 ZINC001342313658 885882750 /nfs/dbraw/zinc/88/27/50/885882750.db2.gz JODPWOWRPGIIFW-SNVBAGLBSA-N 2 0 267.333 -1.050 20 0 CAADRP [NH3+]CCN1CCC[C@@H](C(=O)NC[C@H]2COCC[NH2+]2)C1=O ZINC001342312179 885884163 /nfs/dbraw/zinc/88/41/63/885884163.db2.gz FGRFMPHDJZTQHJ-QWRGUYRKSA-N 2 0 284.360 -1.712 20 0 CAADRP [NH3+]C[C@H]1CCCN1C(=O)[C@@H]1CC(=O)N(C2C[NH2+]C2)C1 ZINC001342396879 885888191 /nfs/dbraw/zinc/88/81/91/885888191.db2.gz BYMTZCUSRVEUAV-NXEZZACHSA-N 2 0 266.345 -1.244 20 0 CAADRP C[C@@]1(C(=O)N2CCC[C@@]([NH3+])(CO)C2)C[NH2+]CCO1 ZINC001342628711 885893533 /nfs/dbraw/zinc/89/35/33/885893533.db2.gz RJLOROKAZKSXGJ-RYUDHWBXSA-N 2 0 257.334 -1.323 20 0 CAADRP [NH3+]CC(=O)NCC(=O)NCC[C@@H]1CCC[NH2+]CC1 ZINC001342886233 885900683 /nfs/dbraw/zinc/90/06/83/885900683.db2.gz FIVSXEWVDHPGGS-SNVBAGLBSA-N 2 0 256.350 -1.043 20 0 CAADRP COCC[NH2+]CCNC(=O)[C@H]1CCCN(CC[NH3+])C1=O ZINC001343460307 885917747 /nfs/dbraw/zinc/91/77/47/885917747.db2.gz YOYPSPPJFSFIMX-LLVKDONJSA-N 2 0 286.376 -1.464 20 0 CAADRP CC[NH+]1CCN([C@@H](C)CNC(=O)CNCC[NH3+])CC1 ZINC001343453538 885917635 /nfs/dbraw/zinc/91/76/35/885917635.db2.gz OZOONLPWDJOADR-LBPRGKRZSA-N 2 0 271.409 -1.323 20 0 CAADRP C[C@]1(C(=O)N[C@@H]2COC3(C[NH2+]C3)C2)C[C@@H](O)C[NH2+]1 ZINC001344013041 885930575 /nfs/dbraw/zinc/93/05/75/885930575.db2.gz ZKVCYUCOUZXKLR-IQJOONFLSA-N 2 0 255.318 -1.654 20 0 CAADRP O=C(CO[C@@H]1CCC[NH2+]C1)N1CC[NH2+]C[C@@H]1CO ZINC001344519626 885944885 /nfs/dbraw/zinc/94/48/85/885944885.db2.gz VDBOUMOFACAFID-GHMZBOCLSA-N 2 0 257.334 -1.452 20 0 CAADRP COC(=O)NCC[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC001345616540 885965651 /nfs/dbraw/zinc/96/56/51/885965651.db2.gz DUMHQTZFBSRSOG-LLVKDONJSA-N 2 0 274.365 -1.460 20 0 CAADRP [NH3+][C@H]1C[C@@H](NC(=O)[C@@H]2CC(=O)N(C3C[NH2+]C3)C2)C1 ZINC001346419300 886003985 /nfs/dbraw/zinc/00/39/85/886003985.db2.gz JGZOPUFGFYEXHP-HLTSFMKQSA-N 2 0 252.318 -1.587 20 0 CAADRP C[NH2+]CCOCCNC(=O)N1CCCO[C@H](C[NH3+])C1 ZINC001348308864 886067999 /nfs/dbraw/zinc/06/79/99/886067999.db2.gz ZNDAOXSZFJJWHG-LLVKDONJSA-N 2 0 274.365 -1.018 20 0 CAADRP C[NH+](C)CC[C@@H](N)C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC001349656095 886141278 /nfs/dbraw/zinc/14/12/78/886141278.db2.gz LBPLVSVVLFTNPE-QWHCGFSZSA-N 2 0 283.420 -1.229 20 0 CAADRP CN(CCC[NH+](C)C)CCNC(=O)Cn1ncnn1 ZINC001350081760 886160368 /nfs/dbraw/zinc/16/03/68/886160368.db2.gz WZDIYTQJTUEJFT-UHFFFAOYSA-N 2 0 269.353 -1.327 20 0 CAADRP [NH3+]CCn1cc(C(=O)NCCCN2CC[NH2+]CC2)nn1 ZINC001350397374 886169453 /nfs/dbraw/zinc/16/94/53/886169453.db2.gz IBLFJZZIWMTNQN-UHFFFAOYSA-N 2 0 281.364 -1.738 20 0 CAADRP CN(CCN1CC[NH2+]CC1)C(=O)C1=NO[C@@H](C[NH3+])C1 ZINC001350398990 886171006 /nfs/dbraw/zinc/17/10/06/886171006.db2.gz RSMFTANIBRMGPG-SNVBAGLBSA-N 2 0 269.349 -1.546 20 0 CAADRP CON(C)C(=O)[C@H](C)[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC001351679015 886221963 /nfs/dbraw/zinc/22/19/63/886221963.db2.gz KTCDCZDSXMRTSI-RYUDHWBXSA-N 2 0 288.392 -1.407 20 0 CAADRP CNC(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC001351789510 886228698 /nfs/dbraw/zinc/22/86/98/886228698.db2.gz DXBBTEQJASZDMS-GHMZBOCLSA-N 2 0 270.377 -1.070 20 0 CAADRP [NH3+]C1(CNC(=O)C[C@@H]2C[NH2+]CCO2)CCOCC1 ZINC001352850089 886250277 /nfs/dbraw/zinc/25/02/77/886250277.db2.gz VHJXIPMWLHHEPY-SNVBAGLBSA-N 2 0 257.334 -1.011 20 0 CAADRP COC[C@]1(C(=O)NC[C@H]2C[C@@H]([NH3+])C2)C[NH2+]CCO1 ZINC001352861170 886252615 /nfs/dbraw/zinc/25/26/15/886252615.db2.gz IAQGDNIUTMMGAZ-UMNHJUIQSA-N 2 0 257.334 -1.155 20 0 CAADRP C[C@H]([NH3+])CONC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC001354063361 886299287 /nfs/dbraw/zinc/29/92/87/886299287.db2.gz PUYJETWDMYIDIC-IUCAKERBSA-N 2 0 258.322 -1.360 20 0 CAADRP C[NH2+]C[C@H](C)CNS(=O)(=O)N1CC[NH2+]CC1 ZINC001354183274 886300849 /nfs/dbraw/zinc/30/08/49/886300849.db2.gz BCDKVXNVRCIYFQ-VIFPVBQESA-N 2 0 250.368 -1.419 20 0 CAADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)[C@H]1C[NH2+]CCN1C ZINC001353591816 886282460 /nfs/dbraw/zinc/28/24/60/886282460.db2.gz VZTDSMWKLFETDD-CHWSQXEVSA-N 2 0 283.420 -1.358 20 0 CAADRP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)[C@@H]1C[NH2+]CCN1C ZINC001353591819 886286244 /nfs/dbraw/zinc/28/62/44/886286244.db2.gz VZTDSMWKLFETDD-STQMWFEESA-N 2 0 283.420 -1.358 20 0 CAADRP C[NH+]1CCN(C[C@H](O)C[NH2+][C@@H](CO)CCF)CC1 ZINC001356595680 886368896 /nfs/dbraw/zinc/36/88/96/886368896.db2.gz KXQYIROSYQUCCE-VXGBXAGGSA-N 2 0 263.357 -1.095 20 0 CAADRP C[NH2+]C[C@@H](O)[C@@H](C)C(=O)NCC[N@H+](C)CCOC ZINC001357391674 886403630 /nfs/dbraw/zinc/40/36/30/886403630.db2.gz KZTAOFUVCFWJHU-GHMZBOCLSA-N 2 0 261.366 -1.103 20 0 CAADRP O=C([C@H]1[C@@H]2C[NH2+]C[C@@H]21)N1NC(=O)C[C@@]12CC[NH2+]C2 ZINC001357981144 886417883 /nfs/dbraw/zinc/41/78/83/886417883.db2.gz NJLUADDAQKUQJE-WQWPXVFUSA-N 2 0 250.302 -1.553 20 0 CAADRP C[NH2+]CC(=O)N1CCNCCN(C(=O)C[NH2+]C)CC1 ZINC001358183152 886420726 /nfs/dbraw/zinc/42/07/26/886420726.db2.gz KZFKJQQUZXEQJX-UHFFFAOYSA-N 2 0 271.365 -2.314 20 0 CAADRP C[NH2+]C[C@H](O)[C@@H](C)C(=O)N1CCN(C)CC[N@H+](C)CC1 ZINC001358444734 886428477 /nfs/dbraw/zinc/42/84/77/886428477.db2.gz ONZKETUAYJJXMP-OLZOCXBDSA-N 2 0 286.420 -1.091 20 0 CAADRP [NH3+]CC(=O)NCC(=O)N1CC[C@]2(C1)CCCC[NH2+]2 ZINC001358316257 886425093 /nfs/dbraw/zinc/42/50/93/886425093.db2.gz BEAKDGAUDFQIFN-LBPRGKRZSA-N 2 0 254.334 -1.194 20 0 CAADRP CC1(C)C[NH2+]C[C@@H]1NC(=O)c1cn(CC[NH3+])nn1 ZINC001358408399 886427559 /nfs/dbraw/zinc/42/75/59/886427559.db2.gz XGKONZOUUZXJDV-VIFPVBQESA-N 2 0 252.322 -1.035 20 0 CAADRP CNC(=O)[C@@H](C)[NH2+]C[C@H](O)CNC(=O)C[NH+]1CCCC1 ZINC001367629674 887416927 /nfs/dbraw/zinc/41/69/27/887416927.db2.gz YAANKICPYFNGGF-MNOVXSKESA-N 2 0 286.376 -1.717 20 0 CAADRP C[C@@H](O)C[NH2+]C[C@H](O)CNC(=O)C1([NH+](C)C)CCC1 ZINC001374619519 887816085 /nfs/dbraw/zinc/81/60/85/887816085.db2.gz YIUGYUZIQYNCDU-MNOVXSKESA-N 2 0 273.377 -1.082 20 0 CAADRP C[C@@H]([NH2+]CCN(C)C(=O)C[NH+]1CCCC1)C(=O)NC(N)=O ZINC001377599023 888006030 /nfs/dbraw/zinc/00/60/30/888006030.db2.gz PEQSUIPFNPFBJA-SNVBAGLBSA-N 2 0 299.375 -1.286 20 0 CAADRP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@@H](C)C[NH2+]CC(N)=O ZINC001379598282 888168041 /nfs/dbraw/zinc/16/80/41/888168041.db2.gz KMAZLQDQOQGXSA-MNOVXSKESA-N 2 0 286.376 -1.466 20 0 CAADRP CNC(=O)[C@H](C)[NH2+][C@H](CO)CNC(=O)C[NH+]1CCCC1 ZINC001394653456 888875492 /nfs/dbraw/zinc/87/54/92/888875492.db2.gz NSLUVNUDFKGQNX-QWRGUYRKSA-N 2 0 286.376 -1.717 20 0 CAADRP C[C@H]1C[C@@H](C(=O)NC[C@@H](O)C[NH2+]CC(N)=O)CC[N@@H+]1C ZINC001401572714 889161217 /nfs/dbraw/zinc/16/12/17/889161217.db2.gz PUKPTNBGIDTXTG-DCAQKATOSA-N 2 0 286.376 -1.731 20 0 CAADRP CCC[N@H+](C)CC(=O)N1CCO[C@@H](C[NH2+]CC(N)=O)C1 ZINC001402604238 889253036 /nfs/dbraw/zinc/25/30/36/889253036.db2.gz QAULHEYMNNJUSP-NSHDSACASA-N 2 0 286.376 -1.370 20 0 CAADRP CNC(=O)C[NH2+]C[C@H](O)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001406214413 889486088 /nfs/dbraw/zinc/48/60/88/889486088.db2.gz LFLLCOBBCKXWBN-OUAUKWLOSA-N 2 0 286.376 -1.861 20 0 CAADRP CC(C)[N@H+](C)CC(=O)NC[C@@H](O)C[NH2+]CC(=O)N(C)C ZINC001406301191 889509459 /nfs/dbraw/zinc/50/94/59/889509459.db2.gz KTSAWXRAIAJWTD-NSHDSACASA-N 2 0 288.392 -1.519 20 0 CAADRP CN(C[C@@H](O)C[NH2+]CC(N)=O)C(=O)C[NH+]1CCCC1 ZINC001411126483 889732892 /nfs/dbraw/zinc/73/28/92/889732892.db2.gz MDKIZGAMZFLGAW-JTQLQIEISA-N 2 0 272.349 -2.024 20 0 CAADRP CNC(=O)C[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001411154022 889736392 /nfs/dbraw/zinc/73/63/92/889736392.db2.gz YYGOZHNKNCEDFZ-QWRGUYRKSA-N 2 0 286.376 -1.907 20 0 CAADRP CNC(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001411154013 889739604 /nfs/dbraw/zinc/73/96/04/889739604.db2.gz YYGOZHNKNCEDFZ-GHMZBOCLSA-N 2 0 286.376 -1.907 20 0 CAADRP CNC(=O)[C@H](C)[NH2+]C[C@@H](O)CNC(=O)C[N@H+](C)C(C)C ZINC001420215385 890419065 /nfs/dbraw/zinc/41/90/65/890419065.db2.gz ORISDOCPVLNYJF-WDEREUQCSA-N 2 0 288.392 -1.472 20 0 CAADRP C[NH+](C)C[C@H]1CN(S(=O)(=O)N2CC[NH2+]CC2)CCO1 ZINC000923612647 883997596 /nfs/dbraw/zinc/99/75/96/883997596.db2.gz RIWDXUVQURYYAA-NSHDSACASA-N 2 0 292.405 -1.601 20 0 CAADRP C[C@@H]1[C@H](C(=O)NCC[NH2+][C@@H]2CCC(=O)NC2=O)CC[N@@H+]1C ZINC001127639360 884058336 /nfs/dbraw/zinc/05/83/36/884058336.db2.gz YJABYWYLNWYYKB-GMTAPVOTSA-N 2 0 296.371 -1.162 20 0 CAADRP C[C@@H]([NH2+]CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(=O)NC(N)=O ZINC001127653016 884058789 /nfs/dbraw/zinc/05/87/89/884058789.db2.gz JIJPGBJIQOJJDT-OPRDCNLKSA-N 2 0 299.375 -1.384 20 0 CAADRP C[C@@H]1[C@H](C(=O)NCC[NH2+][C@H]2CCC(=O)NC2=O)CC[N@@H+]1C ZINC001127639361 884059563 /nfs/dbraw/zinc/05/95/63/884059563.db2.gz YJABYWYLNWYYKB-MXWKQRLJSA-N 2 0 296.371 -1.162 20 0 CAADRP CNC(=O)[C@H](CCCC[NH3+])NC(=O)C[C@@H](O)C[NH3+] ZINC001157322862 884065146 /nfs/dbraw/zinc/06/51/46/884065146.db2.gz AXMFOXPPXISVJS-BDAKNGLRSA-N 2 0 260.338 -1.944 20 0 CAADRP CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H]([NH3+])C(C)(C)O ZINC001157322902 884065165 /nfs/dbraw/zinc/06/51/65/884065165.db2.gz CMXUYXVHIQGRIH-DTWKUNHWSA-N 2 0 274.365 -1.556 20 0 CAADRP C[NH+](C)C[C@@]1(O)CCN(c2nc(N)[nH+]c(N)n2)C1 ZINC001307189394 884120035 /nfs/dbraw/zinc/12/00/35/884120035.db2.gz FMDXQIAIQCDNGP-JTQLQIEISA-N 2 0 253.310 -1.461 20 0 CAADRP CN1CCN(C(=O)CC[N@@H+]2C[C@@H]3C(=O)NC(=O)[C@@H]3C2)CC1 ZINC001307784391 884123800 /nfs/dbraw/zinc/12/38/00/884123800.db2.gz BNOCBGVAMYGLJK-PHIMTYICSA-N 2 0 294.355 -1.645 20 0 CAADRP C[N@H+](CCCNC(=O)[C@H]1CC[NH+](C)C1)CC(=O)NC(N)=O ZINC001316864735 884157493 /nfs/dbraw/zinc/15/74/93/884157493.db2.gz AVPOTNMXBDGWPJ-JTQLQIEISA-N 2 0 299.375 -1.429 20 0 CAADRP C[C@@H]([NH2+]CCN(C)C(=O)[C@@H]1CC[N@H+](C)C1)C(N)=O ZINC001317662112 884236995 /nfs/dbraw/zinc/23/69/95/884236995.db2.gz UPJBOPVNNBYMII-NXEZZACHSA-N 2 0 256.350 -1.140 20 0 CAADRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](O)C[NH2+]CCCO ZINC001320204185 884387784 /nfs/dbraw/zinc/38/77/84/884387784.db2.gz OPCQBNQDYJLZIP-WDEREUQCSA-N 2 0 259.350 -1.470 20 0 CAADRP C[C@H](CC[NH2+]CC(N)=O)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001320641318 884435830 /nfs/dbraw/zinc/43/58/30/884435830.db2.gz WRAOYLOTPFLWQJ-ZJUUUORDSA-N 2 0 256.350 -1.092 20 0 CAADRP C[C@H](CC[NH2+]CC(N)=O)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001320641315 884436087 /nfs/dbraw/zinc/43/60/87/884436087.db2.gz WRAOYLOTPFLWQJ-NXEZZACHSA-N 2 0 256.350 -1.092 20 0 CAADRP C[C@@H](CC[NH2+]CC(=O)NC(N)=O)NC(=O)C[NH+]1CCCC1 ZINC001320640803 884436128 /nfs/dbraw/zinc/43/61/28/884436128.db2.gz VDKHVYQVWZFKGQ-JTQLQIEISA-N 2 0 299.375 -1.239 20 0 CAADRP CCN(CC[NH2+]CC(N)=O)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001320920181 884453982 /nfs/dbraw/zinc/45/39/82/884453982.db2.gz BLXLUNRHNVQOKG-SNVBAGLBSA-N 2 0 256.350 -1.139 20 0 CAADRP C[N@@H+]1CCC[C@@H]1C(=O)NC/C=C/C[NH2+]CC(=O)NC(N)=O ZINC001321188921 884478463 /nfs/dbraw/zinc/47/84/63/884478463.db2.gz KELCVABUQOSYAE-VMZHVLLKSA-N 2 0 297.359 -1.463 20 0 CAADRP CNC(=O)C[NH2+]C[C@@H](C)NC(=O)C[NH+]1CCCC1 ZINC001321745878 884515919 /nfs/dbraw/zinc/51/59/19/884515919.db2.gz BWFWWQPMDOWALS-SNVBAGLBSA-N 2 0 256.350 -1.078 20 0 CAADRP OC(CN1C[C@@H]2C[NH2+]C[C@H]2C1)C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC001322106989 884536791 /nfs/dbraw/zinc/53/67/91/884536791.db2.gz MVJNTSCNMZCKFT-XUXIUFHCSA-N 3 0 280.416 -1.350 20 0 CAADRP C[NH+](C)CCC(=O)NC[C@@]1(O)CC[N@H+](CCO)C1 ZINC001325127249 884708213 /nfs/dbraw/zinc/70/82/13/884708213.db2.gz UKAHMBNQALCBDG-LBPRGKRZSA-N 2 0 259.350 -1.517 20 0 CAADRP C[NH+](C)CCC(=O)NC[C@]1(O)CC[N@H+](CCO)C1 ZINC001325127247 884710196 /nfs/dbraw/zinc/71/01/96/884710196.db2.gz UKAHMBNQALCBDG-GFCCVEGCSA-N 2 0 259.350 -1.517 20 0 CAADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CC[C@@H](C[NH3+])C1 ZINC001326298850 884781097 /nfs/dbraw/zinc/78/10/97/884781097.db2.gz WONTVQGSDYOALC-ONGXEEELSA-N 2 0 256.350 -1.107 20 0 CAADRP CN1C(=O)CC[C@H]([NH2+]C[C@H](O)CN2CC[NH+](C)CC2)C1=O ZINC001325877642 884748540 /nfs/dbraw/zinc/74/85/40/884748540.db2.gz GDQXYLLUIUOLRW-RYUDHWBXSA-N 2 0 298.387 -1.668 20 0 CAADRP C[C@@H](CNC(=O)COCC[NH3+])C[NH+]1CCN(C)CC1 ZINC001326026420 884759486 /nfs/dbraw/zinc/75/94/86/884759486.db2.gz CMYIBQGFRACLSM-LBPRGKRZSA-N 2 0 272.393 -1.039 20 0 CAADRP C[N@@H+]1CC[C@@H](CNC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC001326026143 884759592 /nfs/dbraw/zinc/75/95/92/884759592.db2.gz CBCFULCKPFLZDE-QWRGUYRKSA-N 2 0 268.361 -1.078 20 0 CAADRP C[N@@H+]1CCC[C@@H]1C(=O)N(CCO)CC[NH2+]CCCO ZINC001326070874 884765901 /nfs/dbraw/zinc/76/59/01/884765901.db2.gz UANKTUJUJPWKEN-GFCCVEGCSA-N 2 0 273.377 -1.127 20 0 CAADRP [NH3+]CCCNC(=O)C[C@]1(C(=O)NCCC[NH3+])CC[NH2+]C1 ZINC001326261058 884776085 /nfs/dbraw/zinc/77/60/85/884776085.db2.gz RBSZARWSRDPVDL-CYBMUJFWSA-N 3 0 285.392 -1.714 20 0 CAADRP O=C(CNC(=O)C1CC[NH2+]CC1)N1CC[NH2+]CC1 ZINC001326262464 884777176 /nfs/dbraw/zinc/77/71/76/884777176.db2.gz YPUUMOXRZFOYDG-UHFFFAOYSA-N 2 0 254.334 -1.466 20 0 CAADRP [NH3+]CC(=O)NCC(=O)N(C1CC1)C1CC[NH2+]CC1 ZINC001326298032 884779112 /nfs/dbraw/zinc/77/91/12/884779112.db2.gz PUURJQYDJNXKHT-UHFFFAOYSA-N 2 0 254.334 -1.196 20 0 CAADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CC[C@H](C[NH3+])C1 ZINC001326298849 884779532 /nfs/dbraw/zinc/77/95/32/884779532.db2.gz WONTVQGSDYOALC-KOLCDFICSA-N 2 0 256.350 -1.107 20 0 CAADRP CC[N@H+](C)C[C@H]1CCN(C(=O)CNC(=O)C[NH3+])C1 ZINC001326340342 884783449 /nfs/dbraw/zinc/78/34/49/884783449.db2.gz JEEAJEUTDBMOJB-SNVBAGLBSA-N 2 0 256.350 -1.139 20 0 CAADRP [NH3+]CC(=O)NCC(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC001326324128 884785534 /nfs/dbraw/zinc/78/55/34/884785534.db2.gz XVGMMKHUXXAIAS-GFCCVEGCSA-N 2 0 254.334 -1.337 20 0 CAADRP CC[N@@H+]1CCC[C@H](CNC(=O)CNC(=O)C[NH3+])C1 ZINC001326356508 884789319 /nfs/dbraw/zinc/78/93/19/884789319.db2.gz MUYLIFNEDGGFIP-SNVBAGLBSA-N 2 0 256.350 -1.091 20 0 CAADRP CCN(CCO)CC[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC001326518887 884802001 /nfs/dbraw/zinc/80/20/01/884802001.db2.gz NBTUOKCLIRPQAH-AWEZNQCLSA-N 2 0 288.436 -1.502 20 0 CAADRP C[C@H](C[NH3+])NC(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC001326549429 884808266 /nfs/dbraw/zinc/80/82/66/884808266.db2.gz UXULSEKNRGCXMB-SECBINFHSA-N 2 0 282.348 -1.153 20 0 CAADRP [NH3+]CCCNC(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC001326806242 884834989 /nfs/dbraw/zinc/83/49/89/884834989.db2.gz FAKHFEMGGADLCO-VHSXEESVSA-N 2 0 270.333 -2.271 20 0 CAADRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)NC[C@H]2C[NH2+]CCO2)C1 ZINC001326807676 884836251 /nfs/dbraw/zinc/83/62/51/884836251.db2.gz SHROOCWTCGDXQT-GRYCIOLGSA-N 2 0 298.387 -1.453 20 0 CAADRP CO[C@@H](C[NH3+])CC(=O)NCC(=O)N1CC[NH2+]CC1 ZINC001326820230 884839800 /nfs/dbraw/zinc/83/98/00/884839800.db2.gz JSQRCJLPFDUWHZ-SECBINFHSA-N 2 0 258.322 -2.102 20 0 CAADRP O=C(C[C@H]1C[NH2+]CCO1)NC[C@@H]1C[NH2+]CCCO1 ZINC001326923786 884847464 /nfs/dbraw/zinc/84/74/64/884847464.db2.gz QIRBONOEABUNTD-QWRGUYRKSA-N 2 0 257.334 -1.140 20 0 CAADRP [NH3+]CCCn1cc(C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)nn1 ZINC001326896963 884847606 /nfs/dbraw/zinc/84/76/06/884847606.db2.gz AQEFKNIOXHXBTF-MBTKJCJQSA-N 2 0 250.306 -1.426 20 0 CAADRP O=C1N[C@@]2(CCC[NH2+]C2)C(=O)N1C[C@H]1C[NH2+]CCO1 ZINC001327018828 884853452 /nfs/dbraw/zinc/85/34/52/884853452.db2.gz UIMRYGHZFCFJBY-BXKDBHETSA-N 2 0 268.317 -1.351 20 0 CAADRP C[NH2+][C@@H](C(=O)N1CCO[C@H](C[NH3+])C1)c1cnn(C)c1 ZINC001327104252 884863286 /nfs/dbraw/zinc/86/32/86/884863286.db2.gz FWRNMXKUUMEZPZ-GHMZBOCLSA-N 2 0 267.333 -1.133 20 0 CAADRP C[NH+](C)CCn1cc(NC(=O)C(=O)NC2C[NH2+]C2)cn1 ZINC001327394657 884882163 /nfs/dbraw/zinc/88/21/63/884882163.db2.gz ZOUHYAPPLBGXIE-UHFFFAOYSA-N 2 0 280.332 -1.529 20 0 CAADRP C[NH+](C)CCn1cc(NC(=O)CNC(=O)C[NH3+])cn1 ZINC001327429116 884885864 /nfs/dbraw/zinc/88/58/64/884885864.db2.gz LPFMHJXKWBPEIX-UHFFFAOYSA-N 2 0 268.321 -1.542 20 0 CAADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC001327501026 884894648 /nfs/dbraw/zinc/89/46/48/884894648.db2.gz RFNNLPOICJVOAY-QWRGUYRKSA-N 2 0 283.376 -2.174 20 0 CAADRP [NH3+]C[C@@H]1OCC[C@@H]1C(=O)N1CCOC2(C[NH2+]C2)C1 ZINC001327599802 884908331 /nfs/dbraw/zinc/90/83/31/884908331.db2.gz WCSHHRPOAVDUNS-UWVGGRQHSA-N 2 0 255.318 -1.449 20 0 CAADRP [NH3+]CCN(CC(=O)N1CC[NH2+]CC1)C[C@@H](O)CO ZINC001327597992 884908367 /nfs/dbraw/zinc/90/83/67/884908367.db2.gz VVUZMTVUDNLVLY-SNVBAGLBSA-N 2 0 260.338 -2.968 20 0 CAADRP C([C@H]1CNCCO1)[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC001327597711 884908431 /nfs/dbraw/zinc/90/84/31/884908431.db2.gz SPCWAUFUVUUCRF-CHWSQXEVSA-N 2 0 254.378 -1.046 20 0 CAADRP CN(C)C(=O)[C@@H]1CN(C[C@H]2C[NH2+]CCO2)CC[NH2+]1 ZINC001327598000 884908581 /nfs/dbraw/zinc/90/85/81/884908581.db2.gz WFXGYUKXMHWVKJ-MNOVXSKESA-N 2 0 256.350 -1.663 20 0 CAADRP [NH3+]C[C@H]1OCC[C@H]1C(=O)N1CCOC2(C[NH2+]C2)C1 ZINC001327599799 884909589 /nfs/dbraw/zinc/90/95/89/884909589.db2.gz WCSHHRPOAVDUNS-NXEZZACHSA-N 2 0 255.318 -1.449 20 0 CAADRP [NH3+]C[C@H]1OCC[C@H]1C(=O)NCCCN1CC[NH2+]CC1 ZINC001327597185 884910590 /nfs/dbraw/zinc/91/05/90/884910590.db2.gz NKXUXIXNTKIWIA-VXGBXAGGSA-N 2 0 270.377 -1.238 20 0 CAADRP [NH3+]C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC001327613242 884911031 /nfs/dbraw/zinc/91/10/31/884911031.db2.gz MBGJMKGJZMQBBK-MXWKQRLJSA-N 2 0 257.334 -1.155 20 0 CAADRP [NH3+]CCN(CC(=O)N1CC[NH2+]CC1)C[C@H](O)CO ZINC001327597991 884911077 /nfs/dbraw/zinc/91/10/77/884911077.db2.gz VVUZMTVUDNLVLY-JTQLQIEISA-N 2 0 260.338 -2.968 20 0 CAADRP [NH3+]CCn1cc(C(=O)NCC[C@H]2CC[NH2+]C2)nn1 ZINC001327919651 884940263 /nfs/dbraw/zinc/94/02/63/884940263.db2.gz URXUYRNDJTVKGL-SECBINFHSA-N 2 0 252.322 -1.034 20 0 CAADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)C1=NO[C@H](C[NH3+])C1 ZINC001327929150 884944626 /nfs/dbraw/zinc/94/46/26/884944626.db2.gz OAJOFZMTEKMFFB-ZJUUUORDSA-N 2 0 269.349 -1.548 20 0 CAADRP C[NH+]1CCN(C[C@H](O)C[NH2+]CCN2C(=O)CCC2=O)CC1 ZINC001327978474 884946457 /nfs/dbraw/zinc/94/64/57/884946457.db2.gz QLFHKEHVVOZONC-GFCCVEGCSA-N 2 0 298.387 -1.667 20 0 CAADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]CCN2C(=O)CCC2=O)CC1 ZINC001327978476 884946908 /nfs/dbraw/zinc/94/69/08/884946908.db2.gz QLFHKEHVVOZONC-LBPRGKRZSA-N 2 0 298.387 -1.667 20 0 CAADRP [NH3+]CCCCn1cc(C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)nn1 ZINC001328303228 884968155 /nfs/dbraw/zinc/96/81/55/884968155.db2.gz VKSUPJMBLCMTNC-JZYVYDRUSA-N 2 0 264.333 -1.035 20 0 CAADRP OC[C@@H]1C[C@@H](O)C[NH+]1C/C=C/C[N@H+]1C[C@H](O)C[C@H]1CO ZINC001328380412 884977997 /nfs/dbraw/zinc/97/79/97/884977997.db2.gz DCPZRKBGCBJMEF-ZWODLEOPSA-N 2 0 286.372 -1.602 20 0 CAADRP CCOC(=O)[C@@H]1C[NH2+]CCN1C[C@H]1C[NH2+]CCO1 ZINC001328437778 884986542 /nfs/dbraw/zinc/98/65/42/884986542.db2.gz SDVXSMZSTMWPMS-MNOVXSKESA-N 2 0 257.334 -1.188 20 0 CAADRP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)[C@@]2(F)CC[NH2+]C2)n1 ZINC001328454106 884987663 /nfs/dbraw/zinc/98/76/63/884987663.db2.gz CVNYOSUWUCADDB-LLVKDONJSA-N 2 0 269.280 -1.041 20 0 CAADRP CCOC(=O)[C@H]1C[NH2+]CCN1C[C@H]1C[NH2+]CCO1 ZINC001328437764 884988727 /nfs/dbraw/zinc/98/87/27/884988727.db2.gz SDVXSMZSTMWPMS-GHMZBOCLSA-N 2 0 257.334 -1.188 20 0 CAADRP CN(C)C(=O)[C@@H]1C[N@H+](CCN2CC[NH2+]CC2)CCN1 ZINC001328493818 884995568 /nfs/dbraw/zinc/99/55/68/884995568.db2.gz YJKIFAWHSDTXJL-LBPRGKRZSA-N 2 0 269.393 -1.746 20 0 CAADRP C[NH2+]C[C@@](C)(O)C[NH+]1CCC(OCC(N)=O)CC1 ZINC001328730545 885019386 /nfs/dbraw/zinc/01/93/86/885019386.db2.gz NTCGQPOSWLMBQU-GFCCVEGCSA-N 2 0 259.350 -1.077 20 0 CAADRP C[NH+](C)CC[C@H](N)C(=O)NCCCN1CC[NH2+]CC1 ZINC001328842179 885026297 /nfs/dbraw/zinc/02/62/97/885026297.db2.gz UIJUZGDTZDYGOP-LBPRGKRZSA-N 2 0 271.409 -1.323 20 0 CAADRP C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)CNC(=O)C[NH3+] ZINC001329273594 885085894 /nfs/dbraw/zinc/08/58/94/885085894.db2.gz SDRRHFOOQGXWRS-NXEZZACHSA-N 2 0 256.350 -1.140 20 0 CAADRP O[C@H](C[NH2+]C[C@H](O)Cn1ccnn1)C[NH+]1CCCC1 ZINC001329223832 885076453 /nfs/dbraw/zinc/07/64/53/885076453.db2.gz WLUAWJUQAOVFSZ-NEPJUHHUSA-N 2 0 269.349 -1.315 20 0 CAADRP C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)CNC(=O)C[NH3+] ZINC001329273595 885083480 /nfs/dbraw/zinc/08/34/80/885083480.db2.gz SDRRHFOOQGXWRS-UWVGGRQHSA-N 2 0 256.350 -1.140 20 0 CAADRP C[NH+]1CCN(C[C@H](O)C[NH2+][C@@H]2COC[C@H]2O)CC1 ZINC001329433369 885098873 /nfs/dbraw/zinc/09/88/73/885098873.db2.gz LWDYAKKKOLQZJB-IJLUTSLNSA-N 2 0 259.350 -2.056 20 0 CAADRP C[NH+]1CCN(C[C@@H](O)C[NH2+][C@@H]2COC[C@H]2O)CC1 ZINC001329433370 885099747 /nfs/dbraw/zinc/09/97/47/885099747.db2.gz LWDYAKKKOLQZJB-QJPTWQEYSA-N 2 0 259.350 -2.056 20 0 CAADRP O=C(N[C@@H]1CC[NH2+]C1)C(=O)N[C@H]1CCn2ccnc2C1 ZINC001329446539 885103920 /nfs/dbraw/zinc/10/39/20/885103920.db2.gz JKPSVRXKVIHTJA-VHSXEESVSA-N 2 0 277.328 -1.208 20 0 CAADRP [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)COCC[NH3+])C1 ZINC001329465237 885105882 /nfs/dbraw/zinc/10/58/82/885105882.db2.gz HRRWGVAKVVKRJO-JTQLQIEISA-N 2 0 272.349 -1.725 20 0 CAADRP O=C1NC[C@H]2CN(CCN3CC[NH2+]CC3)CCN2C1=O ZINC001329499925 885109826 /nfs/dbraw/zinc/10/98/26/885109826.db2.gz WPOKSLGYYXHGIX-NSHDSACASA-N 2 0 281.360 -2.466 20 0 CAADRP O=C(CC[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1)N1CC[NH2+]CC1 ZINC001329498686 885111377 /nfs/dbraw/zinc/11/13/77/885111377.db2.gz HCUGNFCTEWQREG-AWEZNQCLSA-N 3 0 295.431 -1.212 20 0 CAADRP CN1CCOC[C@@H]1C[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC001329596234 885120565 /nfs/dbraw/zinc/12/05/65/885120565.db2.gz LMSFQKVCGYLUOC-KBPBESRZSA-N 2 0 286.420 -1.485 20 0 CAADRP CN1CCOC[C@@H]1C[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC001329596236 885120578 /nfs/dbraw/zinc/12/05/78/885120578.db2.gz LMSFQKVCGYLUOC-UONOGXRCSA-N 2 0 286.420 -1.485 20 0 CAADRP C[NH+]1CCN(CCn2cc(CN3CC[NH2+]CC3)nn2)CC1 ZINC001330275132 885185800 /nfs/dbraw/zinc/18/58/00/885185800.db2.gz QWQNSXNSAVLOPM-UHFFFAOYSA-N 2 0 293.419 -1.069 20 0 CAADRP C[C@@H]([NH3+])CNS(=O)(=O)N(C)C1CC[NH2+]CC1 ZINC001330365581 885189918 /nfs/dbraw/zinc/18/99/18/885189918.db2.gz LYSVIFYUBPCDFR-MRVPVSSYSA-N 2 0 250.368 -1.148 20 0 CAADRP C[NH+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@H]2CC[NH2+]C2)C1 ZINC001330531976 885202847 /nfs/dbraw/zinc/20/28/47/885202847.db2.gz PBQIVLDZOAQTMO-QWRGUYRKSA-N 2 0 268.361 -1.125 20 0 CAADRP C([C@H]1C[NH2+]CCO1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC001330584884 885205593 /nfs/dbraw/zinc/20/55/93/885205593.db2.gz PJCKSXVRGYVEFG-QWHCGFSZSA-N 2 0 254.378 -1.046 20 0 CAADRP C([C@H]1C[NH2+]CCO1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC001330584881 885206583 /nfs/dbraw/zinc/20/65/83/885206583.db2.gz PJCKSXVRGYVEFG-CHWSQXEVSA-N 2 0 254.378 -1.046 20 0 CAADRP C[NH+](C)C[C@H]1CCN(C(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)C1 ZINC001330567460 885207976 /nfs/dbraw/zinc/20/79/76/885207976.db2.gz HGRUCFHCGBFCHA-WOPDTQHZSA-N 2 0 280.372 -1.031 20 0 CAADRP C[C@@]1(C(=O)N2CCC(O)(C[NH3+])CC2)C[NH2+]CCO1 ZINC001330602680 885210122 /nfs/dbraw/zinc/21/01/22/885210122.db2.gz QBQCYNUTJBRXJD-NSHDSACASA-N 2 0 257.334 -1.323 20 0 CAADRP C[C@]1(C(=O)N2CCC(O)(C[NH3+])CC2)C[NH2+]CCO1 ZINC001330602679 885211332 /nfs/dbraw/zinc/21/13/32/885211332.db2.gz QBQCYNUTJBRXJD-LLVKDONJSA-N 2 0 257.334 -1.323 20 0 CAADRP COC[C@]1(C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)C[NH2+]CCO1 ZINC001330614036 885215095 /nfs/dbraw/zinc/21/50/95/885215095.db2.gz HDDQFELWMYOTLO-XNDJQWLSSA-N 2 0 255.318 -1.675 20 0 CAADRP [NH3+]CC(=O)NCC(=O)N1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC001330619625 885215195 /nfs/dbraw/zinc/21/51/95/885215195.db2.gz QFIPGQZOAOOIIA-UWVGGRQHSA-N 2 0 254.334 -1.338 20 0 CAADRP C[N@@H+]1CC[C@H]2CN(C(=O)CNC(=O)C[NH3+])CC[C@H]21 ZINC001330649295 885215940 /nfs/dbraw/zinc/21/59/40/885215940.db2.gz XQHMSUIUCDCEQF-VHSXEESVSA-N 2 0 254.334 -1.386 20 0 CAADRP C[N@@H+]1CC[C@H]2CN(C(=O)CNC(=O)C[NH3+])CC[C@@H]21 ZINC001330649293 885216485 /nfs/dbraw/zinc/21/64/85/885216485.db2.gz XQHMSUIUCDCEQF-UWVGGRQHSA-N 2 0 254.334 -1.386 20 0 CAADRP C[NH+]1CCC(N2CC[C@@H](NC(=O)C(N)=O)C2)CC1 ZINC001330853348 885233882 /nfs/dbraw/zinc/23/38/82/885233882.db2.gz KCHNHJHQPSNLHS-SECBINFHSA-N 2 0 254.334 -1.244 20 0 CAADRP [NH3+]CCn1cc(C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)nn1 ZINC001331068085 885247350 /nfs/dbraw/zinc/24/73/50/885247350.db2.gz VJRSTYQFQVDWIW-DTORHVGOSA-N 2 0 250.306 -1.187 20 0 CAADRP CN(CCOCC[NH3+])C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC001331567923 885287250 /nfs/dbraw/zinc/28/72/50/885287250.db2.gz FNTWPHBBSLUPIJ-LLVKDONJSA-N 2 0 274.365 -1.018 20 0 CAADRP [NH3+]C[C@H]1CN(C(=O)NC[C@@H]2COCC[NH2+]2)CCO1 ZINC001331569181 885288555 /nfs/dbraw/zinc/28/85/55/885288555.db2.gz MTSMLHHMKUBICA-ZJUUUORDSA-N 2 0 258.322 -1.656 20 0 CAADRP [NH3+]C[C@H]1CN(C(=O)NC[C@H]2COCC[NH2+]2)CCO1 ZINC001331569174 885288853 /nfs/dbraw/zinc/28/88/53/885288853.db2.gz MTSMLHHMKUBICA-UWVGGRQHSA-N 2 0 258.322 -1.656 20 0 CAADRP C[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2COCC[NH2+]2)CC1 ZINC001331574393 885291043 /nfs/dbraw/zinc/29/10/43/885291043.db2.gz VXTDYNJYXGCDSQ-LLVKDONJSA-N 2 0 284.360 -1.699 20 0 CAADRP C[NH+]1CCC(NC(=O)C(=O)NC[C@H]2COCC[NH2+]2)CC1 ZINC001331574399 885291563 /nfs/dbraw/zinc/29/15/63/885291563.db2.gz VXTDYNJYXGCDSQ-NSHDSACASA-N 2 0 284.360 -1.699 20 0 CAADRP O=C(CN1CC[NH2+]CC1)NC[C@@H]1C[NH2+]CCCO1 ZINC001331706594 885318647 /nfs/dbraw/zinc/31/86/47/885318647.db2.gz HNAXLNMEJGUKRY-NSHDSACASA-N 2 0 256.350 -1.614 20 0 CAADRP [NH3+]C[C@H]1CN(C(=O)CN2CC[NH2+]CC2)CCCO1 ZINC001331708080 885319357 /nfs/dbraw/zinc/31/93/57/885319357.db2.gz QYLLQQGUANEMQU-NSHDSACASA-N 2 0 256.350 -1.532 20 0 CAADRP CN1C(=O)[C@H]2C[N@H+](CCN3CC[NH2+]CC3)C[C@H]2C1=O ZINC001331984433 885372521 /nfs/dbraw/zinc/37/25/21/885372521.db2.gz RRNSCJLXCXIVOH-PHIMTYICSA-N 2 0 266.345 -1.562 20 0 CAADRP C[NH2+]CCNS(=O)(=O)N(C)C1CC[NH2+]CC1 ZINC001331984689 885373194 /nfs/dbraw/zinc/37/31/94/885373194.db2.gz SPHKEZDPTCGWDM-UHFFFAOYSA-N 2 0 250.368 -1.276 20 0 CAADRP [NH3+]CCOCC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC001332188296 885386141 /nfs/dbraw/zinc/38/61/41/885386141.db2.gz GDPJWVUBGXZHGZ-AXFHLTTASA-N 2 0 298.343 -1.645 20 0 CAADRP O=C(CN1CCNCC[NH2+]CC1)N1CC[NH2+]CC1 ZINC001332335252 885400379 /nfs/dbraw/zinc/40/03/79/885400379.db2.gz ROQGAKRTSWSMPQ-UHFFFAOYSA-N 2 0 255.366 -2.087 20 0 CAADRP C[N@H+](C[C@H](O)C[NH3+])C[C@H](O)COC[C@@H]1CCCO1 ZINC001332334989 885400609 /nfs/dbraw/zinc/40/06/09/885400609.db2.gz QIDGBMIDSYUAAX-WOPDTQHZSA-N 2 0 262.350 -1.206 20 0 CAADRP C[NH2+]CCC1CCN(C(=O)CNC(=O)C[NH3+])CC1 ZINC001332432163 885408705 /nfs/dbraw/zinc/40/87/05/885408705.db2.gz RMCPPLJHZSMSDP-UHFFFAOYSA-N 2 0 256.350 -1.091 20 0 CAADRP C[NH2+]CCNC(=O)C[C@]1(C(=O)NCC[NH2+]C)CC[NH2+]C1 ZINC001332414257 885408939 /nfs/dbraw/zinc/40/89/39/885408939.db2.gz UVELORHZVQKPBZ-CYBMUJFWSA-N 3 0 285.392 -1.973 20 0 CAADRP [NH3+]CC(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC001332517360 885416572 /nfs/dbraw/zinc/41/65/72/885416572.db2.gz PFFKJRPFXULJCL-NSHDSACASA-N 2 0 256.350 -1.532 20 0 CAADRP CN(C[C@@H](O)C[NH2+]CCO)C(=O)[C@H]1CCC[N@@H+]1C ZINC001332551046 885418687 /nfs/dbraw/zinc/41/86/87/885418687.db2.gz IAMIHDFNFHEPSI-WDEREUQCSA-N 2 0 259.350 -1.518 20 0 CAADRP CN(C[C@H](O)C[NH2+]CCO)C(=O)[C@H]1CCC[N@@H+]1C ZINC001332551045 885418694 /nfs/dbraw/zinc/41/86/94/885418694.db2.gz IAMIHDFNFHEPSI-GHMZBOCLSA-N 2 0 259.350 -1.518 20 0 CAADRP C[C@@H]1CC[N@H+](CC(=O)N(C)C[C@H](O)C[NH2+]CCO)C1 ZINC001332566307 885421359 /nfs/dbraw/zinc/42/13/59/885421359.db2.gz NROVOGVCMYEKNN-VXGBXAGGSA-N 2 0 273.377 -1.271 20 0 CAADRP C[NH+](C)CC[C@@H](N)C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC001332724253 885436779 /nfs/dbraw/zinc/43/67/79/885436779.db2.gz NAQTYMQBEONPTC-QWHCGFSZSA-N 2 0 283.420 -1.229 20 0 CAADRP C[NH2+][C@H](C)CCNS(=O)(=O)N1CC[NH2+]CC1 ZINC001332814647 885439533 /nfs/dbraw/zinc/43/95/33/885439533.db2.gz AVMAMLKOGAISGU-SECBINFHSA-N 2 0 250.368 -1.276 20 0 CAADRP O=C(NCCN1CC[NH2+]CC1)[C@@H](F)[C@H]1CC[NH2+]C1 ZINC001332958810 885449947 /nfs/dbraw/zinc/44/99/47/885449947.db2.gz NNDOJYOIMFJJEH-QWRGUYRKSA-N 2 0 258.341 -1.045 20 0 CAADRP COC[C@]1(C(=O)N2CC[C@@H](C[NH3+])C2)C[NH2+]CCO1 ZINC001332958171 885451752 /nfs/dbraw/zinc/45/17/52/885451752.db2.gz HLXYUBXDSLFVJA-JQWIXIFHSA-N 2 0 257.334 -1.201 20 0 CAADRP COC[C@]1(C(=O)N2CC[C@H](C[NH3+])C2)C[NH2+]CCO1 ZINC001332958172 885451864 /nfs/dbraw/zinc/45/18/64/885451864.db2.gz HLXYUBXDSLFVJA-PWSUYJOCSA-N 2 0 257.334 -1.201 20 0 CAADRP COC1(C(=O)NC[C@H]2COCC[NH2+]2)CC[NH2+]CC1 ZINC001332981841 885454475 /nfs/dbraw/zinc/45/44/75/885454475.db2.gz PWEQHTQCPPXMNE-JTQLQIEISA-N 2 0 257.334 -1.140 20 0 CAADRP C[C@H]([NH3+])CCNC(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC001333179074 885464082 /nfs/dbraw/zinc/46/40/82/885464082.db2.gz RJVSDYGZJJFIBQ-GARJFASQSA-N 2 0 284.360 -1.883 20 0 CAADRP C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)NCC3C[NH2+]C3)CC[C@H]21 ZINC001333423502 885481695 /nfs/dbraw/zinc/48/16/95/885481695.db2.gz OIRRTAOKNBZTAH-VXGBXAGGSA-N 2 0 280.372 -1.125 20 0 CAADRP COCC[NH+]1CCC(NC(=O)C(=O)N[C@H]2CC[NH2+]C2)CC1 ZINC001333532128 885488148 /nfs/dbraw/zinc/48/81/48/885488148.db2.gz KSVRXFJTPMVASZ-LBPRGKRZSA-N 2 0 298.387 -1.309 20 0 CAADRP [NH3+]C[C@@H]1OCC[C@H]1C(=O)NCCN1CC[NH2+]CC1 ZINC001333623268 885496430 /nfs/dbraw/zinc/49/64/30/885496430.db2.gz YBGYROYECQSYPU-MNOVXSKESA-N 2 0 256.350 -1.628 20 0 CAADRP COCC[C@H]([NH3+])C(=O)NCCCN1CC[NH2+]CC1 ZINC001333631381 885497153 /nfs/dbraw/zinc/49/71/53/885497153.db2.gz RUVRZIICGGVDOD-NSHDSACASA-N 2 0 258.366 -1.238 20 0 CAADRP [NH3+]C[C@H]1OCC[C@H]1C(=O)NCCN1CC[NH2+]CC1 ZINC001333623267 885497236 /nfs/dbraw/zinc/49/72/36/885497236.db2.gz YBGYROYECQSYPU-GHMZBOCLSA-N 2 0 256.350 -1.628 20 0 CAADRP [NH3+]C[C@H]1CC(C(=O)N2CCC(O)(C[NH3+])CC2)=NO1 ZINC001333635466 885499396 /nfs/dbraw/zinc/49/93/96/885499396.db2.gz IHRBQEJFVMRWTL-MRVPVSSYSA-N 2 0 256.306 -1.598 20 0 CAADRP O=C(C[C@@H]1COCC[NH2+]1)N1CCOC2(C[NH2+]C2)C1 ZINC001333654124 885500935 /nfs/dbraw/zinc/50/09/35/885500935.db2.gz GJJPFSGDIGAXCA-SNVBAGLBSA-N 2 0 255.318 -1.434 20 0 CAADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)NC[C@H]2C[C@@H]([NH3+])C2)C1 ZINC001333960383 885512813 /nfs/dbraw/zinc/51/28/13/885512813.db2.gz UWEBHHZZZMATNJ-TUAOUCFPSA-N 2 0 298.387 -1.323 20 0 CAADRP C[NH2+]C[C@@H]1CCN(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC001334337931 885534562 /nfs/dbraw/zinc/53/45/62/885534562.db2.gz OALDYLZMTRIXJP-JTQLQIEISA-N 2 0 262.379 -1.322 20 0 CAADRP CCO[C@@H](CNC(=O)C(=O)NCC[C@H](C)[NH3+])C[NH+](C)C ZINC001335217089 885592255 /nfs/dbraw/zinc/59/22/55/885592255.db2.gz OHCLWZCXXZHWIU-QWRGUYRKSA-N 2 0 288.392 -1.077 20 0 CAADRP CCO[C@H](CNC(=O)C(=O)NCC[C@H](C)[NH3+])C[NH+](C)C ZINC001335217109 885594607 /nfs/dbraw/zinc/59/46/07/885594607.db2.gz OHCLWZCXXZHWIU-WDEREUQCSA-N 2 0 288.392 -1.077 20 0 CAADRP CCO[C@H](CNC(=O)C(=O)N(CC)CC[NH3+])C[NH+](C)C ZINC001335235472 885597236 /nfs/dbraw/zinc/59/72/36/885597236.db2.gz CGLZWBFURIXEQB-LLVKDONJSA-N 2 0 288.392 -1.124 20 0 CAADRP C[C@@H]([NH2+]CC[C@H]1CNCCS1(=O)=O)C1C[NH2+]C1 ZINC001335266549 885602912 /nfs/dbraw/zinc/60/29/12/885602912.db2.gz GDRRJKPAVMNDEZ-KOLCDFICSA-N 2 0 261.391 -1.039 20 0 CAADRP C[C@]1(C(=O)NCCCN2CC[NH2+]CC2)C[C@H](O)C[NH2+]1 ZINC001335307472 885610183 /nfs/dbraw/zinc/61/01/83/885610183.db2.gz DPCDFPZMWCZHPX-WCQYABFASA-N 2 0 270.377 -1.489 20 0 CAADRP C[NH+]1CCN(CC[NH2+]C[C@H](O)C2(O)CCOCC2)CC1 ZINC001335327685 885612609 /nfs/dbraw/zinc/61/26/09/885612609.db2.gz OOLNWJDQKVZNSG-ZDUSSCGKSA-N 2 0 287.404 -1.274 20 0 CAADRP C=CC(=O)NCC[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC001335365281 885616457 /nfs/dbraw/zinc/61/64/57/885616457.db2.gz HAUMBECYKCCDDY-LBPRGKRZSA-N 2 0 270.377 -1.514 20 0 CAADRP NC(=O)c1cn(C2CC[NH+](CCOCC[NH3+])CC2)nn1 ZINC001335380327 885616485 /nfs/dbraw/zinc/61/64/85/885616485.db2.gz FDKULUDZOYQKEW-UHFFFAOYSA-N 2 0 282.348 -1.011 20 0 CAADRP C[C@@H](C[NH3+])NS(=O)(=O)N(C)C1CC[NH2+]CC1 ZINC001335531483 885620539 /nfs/dbraw/zinc/62/05/39/885620539.db2.gz SWECNEMRUMTNIA-QMMMGPOBSA-N 2 0 250.368 -1.148 20 0 CAADRP CN1CC[C@@H]1CNC(=O)C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC001335593165 885623236 /nfs/dbraw/zinc/62/32/36/885623236.db2.gz FOPZONRRYQHOSY-VXGBXAGGSA-N 2 0 297.403 -1.831 20 0 CAADRP O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)N1CCNCC[NH2+]CC1 ZINC001335594968 885623458 /nfs/dbraw/zinc/62/34/58/885623458.db2.gz DESCWDAJXAWWOE-URLYPYJESA-N 2 0 253.350 -1.591 20 0 CAADRP CN1CC[C@@H]1CNC(=O)C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC001335593162 885625169 /nfs/dbraw/zinc/62/51/69/885625169.db2.gz FOPZONRRYQHOSY-NEPJUHHUSA-N 2 0 297.403 -1.831 20 0 CAADRP CN1CC[C@H]1CNC(=O)C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC001335593163 885625274 /nfs/dbraw/zinc/62/52/74/885625274.db2.gz FOPZONRRYQHOSY-NWDGAFQWSA-N 2 0 297.403 -1.831 20 0 CAADRP C[NH2+]CC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC001335786448 885633640 /nfs/dbraw/zinc/63/36/40/885633640.db2.gz AOMNSCZIOMRLRQ-AEJSXWLSSA-N 2 0 268.317 -1.401 20 0 CAADRP C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC001335752311 885634280 /nfs/dbraw/zinc/63/42/80/885634280.db2.gz WVGVIVREZVVRKT-GRYCIOLGSA-N 2 0 297.403 -1.928 20 0 CAADRP CONC(=O)C1CC[NH+](CC(=O)N2CC[NH2+]CC2)CC1 ZINC001335837011 885640183 /nfs/dbraw/zinc/64/01/83/885640183.db2.gz HDPYDXZGSNCSLO-UHFFFAOYSA-N 2 0 284.360 -1.192 20 0 CAADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)[C@@H]1[NH2+]C[C@@H]2C[C@@H]21 ZINC001335843447 885640552 /nfs/dbraw/zinc/64/05/52/885640552.db2.gz NHXIWIHXVPVTHL-FIQHERPVSA-N 2 0 252.362 -1.044 20 0 CAADRP COC(=O)[C@H]1C[NH+](CCOCC[NH3+])C[C@@H]1C(=O)OC ZINC001336095830 885645642 /nfs/dbraw/zinc/64/56/42/885645642.db2.gz OJOZWCUUGPJNLZ-UWVGGRQHSA-N 2 0 274.317 -1.144 20 0 CAADRP CN(CCO)CC[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC001336153213 885649485 /nfs/dbraw/zinc/64/94/85/885649485.db2.gz WAJDCTVXRIMDAQ-ZDUSSCGKSA-N 2 0 274.409 -1.892 20 0 CAADRP COC[C@@H]1C[NH2+]CCN1C(=O)NCCOCCC[NH3+] ZINC001336149497 885650691 /nfs/dbraw/zinc/65/06/91/885650691.db2.gz CLRFWTWGIYBQFT-NSHDSACASA-N 2 0 274.365 -1.018 20 0 CAADRP [NH3+]C[C@H]1C[C@H](NC(=O)NCC(=O)N2CC[NH2+]CC2)C1 ZINC001336116261 885650617 /nfs/dbraw/zinc/65/06/17/885650617.db2.gz JVVHOCVWTDDQIJ-MGCOHNPYSA-N 2 0 269.349 -1.545 20 0 CAADRP C[NH+]1CCN(C[C@H](O)C[NH2+]CCO[C@@H]2CCOC2)CC1 ZINC001336307250 885655874 /nfs/dbraw/zinc/65/58/74/885655874.db2.gz HFCQEOVAAFJLGN-ZIAGYGMSSA-N 2 0 287.404 -1.010 20 0 CAADRP CCOC(=O)[C@H]1CNCCN1C(=O)[C@@H]1C[C@@H]1C[NH3+] ZINC001336657511 885674016 /nfs/dbraw/zinc/67/40/16/885674016.db2.gz AXIXKTQNBNLPDQ-OPRDCNLKSA-N 2 0 255.318 -1.055 20 0 CAADRP [NH3+]CC1(C(=O)NCCN2CC[NH2+]CC2)CC(O)C1 ZINC001336645221 885674070 /nfs/dbraw/zinc/67/40/70/885674070.db2.gz HYFAMVDYESOFKD-UHFFFAOYSA-N 2 0 256.350 -1.892 20 0 CAADRP [NH3+]C1(CNC(=O)N2CCNCC[NH2+]CC2)CCOCC1 ZINC001336935617 885687998 /nfs/dbraw/zinc/68/79/98/885687998.db2.gz UUYXLSWACHAOTG-UHFFFAOYSA-N 2 0 285.392 -1.301 20 0 CAADRP COCC[NH2+]CCNC(=O)N1CCNCC[NH2+]CC1 ZINC001336918654 885688309 /nfs/dbraw/zinc/68/83/09/885688309.db2.gz MTYVRLYHTVISQD-UHFFFAOYSA-N 2 0 273.381 -1.573 20 0 CAADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NC[C@H]2C[C@H]([NH3+])C2)C1 ZINC001337456359 885702158 /nfs/dbraw/zinc/70/21/58/885702158.db2.gz UWEBHHZZZMATNJ-IJLUTSLNSA-N 2 0 298.387 -1.323 20 0 CAADRP [NH3+]CC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC001339306742 885766395 /nfs/dbraw/zinc/76/63/95/885766395.db2.gz QKRHWICEUIINGX-YIZRAAEISA-N 2 0 254.290 -1.661 20 0 CAADRP C[C@@H]1C[NH+](CCCNC(=O)[C@H]([NH3+])CO)C[C@@H](C)O1 ZINC001340155577 885796101 /nfs/dbraw/zinc/79/61/01/885796101.db2.gz RDLXTVVXXOAPHL-GMTAPVOTSA-N 2 0 259.350 -1.079 20 0 CAADRP C[NH2+]C[C@H](O)[C@H](C)C(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC001340482534 885803121 /nfs/dbraw/zinc/80/31/21/885803121.db2.gz COCQYSBCYQPXLY-DCAQKATOSA-N 2 0 258.366 -1.696 20 0 CAADRP C[NH2+]C[C@H](O)[C@H](C)C(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC001340482524 885803540 /nfs/dbraw/zinc/80/35/40/885803540.db2.gz COCQYSBCYQPXLY-AXFHLTTASA-N 2 0 258.366 -1.696 20 0 CAADRP COC[C@H]([NH3+])C(=O)N[C@H](C)CN1CC[NH+](C)CC1 ZINC001340248190 885798461 /nfs/dbraw/zinc/79/84/61/885798461.db2.gz FOPMOCGFQQSKTR-MNOVXSKESA-N 2 0 258.366 -1.288 20 0 CAADRP O=C(NC1CC[NH2+]CC1)[C@@H]1CC(=O)N(C2C[NH2+]C2)C1 ZINC001340465356 885801286 /nfs/dbraw/zinc/80/12/86/885801286.db2.gz ZOXJPGPFMWYVDP-SECBINFHSA-N 2 0 266.345 -1.325 20 0 CAADRP O=C(NC[C@H]1C[NH2+]CCO1)[C@]12C[NH2+]C[C@H]1CCOC2 ZINC001340471451 885802677 /nfs/dbraw/zinc/80/26/77/885802677.db2.gz KZNABJGLFHACAO-WZRBSPASSA-N 2 0 269.345 -1.283 20 0 CAADRP C[NH2+]C[C@H](O)[C@@H](C)C(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC001340482538 885803512 /nfs/dbraw/zinc/80/35/12/885803512.db2.gz COCQYSBCYQPXLY-VWYCJHECSA-N 2 0 258.366 -1.696 20 0 CAADRP COC[C@@]1(C(=O)NCC2(O)C[NH2+]C2)CCCC[NH2+]1 ZINC001340596873 885807053 /nfs/dbraw/zinc/80/70/53/885807053.db2.gz UTXUNFJJWUVTBT-GFCCVEGCSA-N 2 0 257.334 -1.404 20 0 CAADRP CN1CC[NH2+]C[C@H]1C(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC001340689698 885809003 /nfs/dbraw/zinc/80/90/03/885809003.db2.gz CBNIMRPRLGMNGV-RYUDHWBXSA-N 2 0 297.403 -1.654 20 0 CAADRP C[NH2+]CCOCCNC(=O)[C@]12C[NH2+]C[C@H]1CCOC2 ZINC001340702821 885810078 /nfs/dbraw/zinc/81/00/78/885810078.db2.gz NWKMGFVAWPAEOG-YPMHNXCESA-N 2 0 271.361 -1.035 20 0 CAADRP C[NH2+]C[C@@H](O)CN(C)C(=O)[C@]1(COC)CC[NH2+]C1 ZINC001340745704 885811814 /nfs/dbraw/zinc/81/18/14/885811814.db2.gz FMJDYWXCPDFLTK-ZYHUDNBSSA-N 2 0 259.350 -1.349 20 0 CAADRP C[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]([NH3+])Cc1ccccn1 ZINC001340746475 885811848 /nfs/dbraw/zinc/81/18/48/885811848.db2.gz HGDUVYWRRVXWKD-VXGBXAGGSA-N 2 0 266.345 -1.010 20 0 CAADRP O=C(NCC1(O)C[NH2+]C1)C1=NO[C@]2(C1)CCC[NH2+]C2 ZINC001340708739 885811878 /nfs/dbraw/zinc/81/18/78/885811878.db2.gz KDMAGYKPXNBDPR-LBPRGKRZSA-N 2 0 268.317 -1.665 20 0 CAADRP C[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1CCCN(CC[NH3+])C1=O ZINC001340747819 885812550 /nfs/dbraw/zinc/81/25/50/885812550.db2.gz LWFAPDFNFZSZIB-QWRGUYRKSA-N 2 0 286.376 -1.778 20 0 CAADRP O=C(C[C@]1(O)CCC[NH2+]C1)N1CC[NH2+]C[C@H]1CO ZINC001340845049 885815241 /nfs/dbraw/zinc/81/52/41/885815241.db2.gz HDPSREDHJYLQOU-CMPLNLGQSA-N 2 0 257.334 -1.716 20 0 CAADRP [NH3+]CCN1CCC[C@@H](C(=O)N2CCOC3(C[NH2+]C3)C2)C1=O ZINC001340807178 885817329 /nfs/dbraw/zinc/81/73/29/885817329.db2.gz LKSGZFMQUSKRIG-LLVKDONJSA-N 2 0 296.371 -1.616 20 0 CAADRP C[C@@H]([NH3+])CN(C)C(=O)[C@H]1CC(=O)N(C2C[NH2+]C2)C1 ZINC001340866790 885819265 /nfs/dbraw/zinc/81/92/65/885819265.db2.gz LXXMZHFSHQPWIO-BDAKNGLRSA-N 2 0 254.334 -1.388 20 0 CAADRP O=C(C[NH2+]CC1CC1)N1NC(=O)C[C@@]12CC[NH2+]C2 ZINC001340900972 885820403 /nfs/dbraw/zinc/82/04/03/885820403.db2.gz PSBKQFDPGZOFOT-GFCCVEGCSA-N 2 0 252.318 -1.018 20 0 CAADRP CN1CCC([N@@H+]2CC[C@H](NC(=O)CNCC[NH3+])C2)CC1 ZINC001340870153 885820523 /nfs/dbraw/zinc/82/05/23/885820523.db2.gz AYJXWXAZKNDIKG-LBPRGKRZSA-N 2 0 283.420 -1.181 20 0 CAADRP O=C(CN1CC[NH2+]CC1)N1NC(=O)C[C@]12CC[NH2+]C2 ZINC001340899368 885820827 /nfs/dbraw/zinc/82/08/27/885820827.db2.gz CGYRJLGQAVNBLF-LBPRGKRZSA-N 2 0 267.333 -2.113 20 0 CAADRP C[C@H]([NH3+])CN(C)C(=O)[C@H]1CC(=O)N(C2C[NH2+]C2)C1 ZINC001340866793 885821014 /nfs/dbraw/zinc/82/10/14/885821014.db2.gz LXXMZHFSHQPWIO-IUCAKERBSA-N 2 0 254.334 -1.388 20 0 CAADRP [NH3+]C[C@H](O)CC(=O)NCCCCCN1CC[NH2+]CC1 ZINC001341072497 885823859 /nfs/dbraw/zinc/82/38/59/885823859.db2.gz PCWGONCEUIEBAS-GFCCVEGCSA-N 2 0 272.393 -1.112 20 0 CAADRP C[NH+](C)CCOCCNC(=O)[C@@H]1CC(=O)N(C2C[NH2+]C2)C1 ZINC001340998322 885824780 /nfs/dbraw/zinc/82/47/80/885824780.db2.gz BJOAPQAQGSHXBZ-LLVKDONJSA-N 2 0 298.387 -1.499 20 0 CAADRP CN1CC[NH2+]C[C@@H]1C(=O)NCCN1CCC([NH3+])CC1 ZINC001341056923 885824922 /nfs/dbraw/zinc/82/49/22/885824922.db2.gz PLBAYXLZVRWDJG-GFCCVEGCSA-N 3 0 269.393 -1.571 20 0 CAADRP C[NH2+][C@@H](C)C(=O)N1CCNCCN(C(=O)[C@H](C)[NH2+]C)CC1 ZINC001341155044 885826259 /nfs/dbraw/zinc/82/62/59/885826259.db2.gz KNGMETAFJADPNS-RYUDHWBXSA-N 2 0 299.419 -1.537 20 0 CAADRP CN1CC[NH2+]C[C@@H]1C(=O)N1CCNCC[NH2+]CC1 ZINC001341099968 885826594 /nfs/dbraw/zinc/82/65/94/885826594.db2.gz OKUNEMDKJMUNOH-LLVKDONJSA-N 2 0 255.366 -2.089 20 0 CAADRP [NH3+]CCN1CCC[C@H](C(=O)NC[C@H]2C[NH2+]CCO2)C1=O ZINC001341098397 885826744 /nfs/dbraw/zinc/82/67/44/885826744.db2.gz SWAFKGNWJZHJIF-GHMZBOCLSA-N 2 0 284.360 -1.712 20 0 CAADRP [NH3+]C[C@@H]1OCC[C@H]1C(=O)N1CCNCC[NH2+]CC1 ZINC001341098986 885827480 /nfs/dbraw/zinc/82/74/80/885827480.db2.gz CKRNGXBXHJIQHH-MNOVXSKESA-N 2 0 256.350 -1.628 20 0 CAADRP O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)N1CCNCC[NH2+]CC1 ZINC001341098996 885827740 /nfs/dbraw/zinc/82/77/40/885827740.db2.gz CNYPQYLGRAHQEL-LBPRGKRZSA-N 2 0 297.403 -1.734 20 0 CAADRP O=C(CCNC(=O)[C@H]1CCC[NH2+]1)N1CCNCC[NH2+]CC1 ZINC001341098995 885828950 /nfs/dbraw/zinc/82/89/50/885828950.db2.gz CNYPQYLGRAHQEL-GFCCVEGCSA-N 2 0 297.403 -1.734 20 0 CAADRP CC[NH2+]CCNC(=O)[C@]12C[NH2+]C[C@H]1CS(=O)(=O)C2 ZINC001341245464 885830775 /nfs/dbraw/zinc/83/07/75/885830775.db2.gz XWYYSFNFGXVRHE-ONGXEEELSA-N 2 0 275.374 -1.654 20 0 CAADRP C[C@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)N[C@@H]1C[NH2+]C[C@@H]1O ZINC001341418841 885837002 /nfs/dbraw/zinc/83/70/02/885837002.db2.gz VMIJGOAWEYNKEL-ZDCRXTMVSA-N 2 0 254.334 -2.176 20 0 CAADRP C[NH2+]C[C@H](O)CN(C)C(=O)[C@]1(C)C[C@H](OC)C[NH2+]1 ZINC001341491880 885840860 /nfs/dbraw/zinc/84/08/60/885840860.db2.gz BPYPHWBJTCMABI-NHCYSSNCSA-N 2 0 259.350 -1.208 20 0 CAADRP C[NH2+]C[C@H](O)CN(C)C(=O)[C@]1(C)C[C@@H](OC)C[NH2+]1 ZINC001341491882 885841070 /nfs/dbraw/zinc/84/10/70/885841070.db2.gz BPYPHWBJTCMABI-UMNHJUIQSA-N 2 0 259.350 -1.208 20 0 CAADRP O=C(N[C@@H]1CC[NH2+]C1)[C@@H]1CC(=O)N(C2C[NH2+]C2)C1 ZINC001341489561 885841511 /nfs/dbraw/zinc/84/15/11/885841511.db2.gz RZVITEJSTZHJMJ-RKDXNWHRSA-N 2 0 252.318 -1.715 20 0 CAADRP CN1CCN(C(=O)[C@H]2C[NH2+]CCO2)CC[N@H+](C)CC1 ZINC001341512134 885841989 /nfs/dbraw/zinc/84/19/89/885841989.db2.gz ROQYBOQCVFARLN-GFCCVEGCSA-N 2 0 270.377 -1.319 20 0 CAADRP CCC[NH2+]CCNC(=O)[C@]12C[NH2+]C[C@H]1CS(=O)(=O)C2 ZINC001341635919 885851043 /nfs/dbraw/zinc/85/10/43/885851043.db2.gz ZLAPOZDFNMTIJS-JQWIXIFHSA-N 2 0 289.401 -1.264 20 0 CAADRP [NH3+]C[C@@H]1CN(C(=O)[C@]23C[NH2+]C[C@H]2CCOC3)CCO1 ZINC001341649109 885851092 /nfs/dbraw/zinc/85/10/92/885851092.db2.gz DKWNKRKAKLYKGY-WZRBSPASSA-N 2 0 269.345 -1.201 20 0 CAADRP C[NH+](C)CC(=O)NCC[NH2+]CCNC(=O)C[NH+](C)C ZINC001341636481 885851391 /nfs/dbraw/zinc/85/13/91/885851391.db2.gz RBTJVIJXGWSZMK-UHFFFAOYSA-N 3 0 273.381 -2.068 20 0 CAADRP C[C@]1(C(=O)N2CCN(CCO)CC2)C[C@@H](O)C[NH2+]1 ZINC001341677135 885853407 /nfs/dbraw/zinc/85/34/07/885853407.db2.gz ZGHCQXRMMNQSFR-ZYHUDNBSSA-N 2 0 257.334 -1.764 20 0 CAADRP NC(=O)CN1CCC[C@H](NC(=O)C23CC(C2)C[NH2+]3)C1 ZINC001341672417 885853580 /nfs/dbraw/zinc/85/35/80/885853580.db2.gz GPPVWIOXLXKRAW-QUNCOHTASA-N 2 0 266.345 -1.196 20 0 CAADRP CC1(C(=O)NCC[NH2+]CCNC(=O)C2(C)C[NH2+]C2)C[NH2+]C1 ZINC001341735227 885854552 /nfs/dbraw/zinc/85/45/52/885854552.db2.gz YGZXQTRKBLEQTL-UHFFFAOYSA-N 3 0 297.403 -1.973 20 0 CAADRP O=C([C@H](F)[C@@H]1CC[NH2+]C1)N1CCNCC[NH2+]CC1 ZINC001341839162 885857848 /nfs/dbraw/zinc/85/78/48/885857848.db2.gz METIEVHJLIDLNQ-GHMZBOCLSA-N 2 0 258.341 -1.045 20 0 CAADRP [NH3+][C@]1(CO)CCCN(C(=O)C[C@H]2COCC[NH2+]2)C1 ZINC001341856255 885860675 /nfs/dbraw/zinc/86/06/75/885860675.db2.gz ATQNJSTWFSBVDJ-CMPLNLGQSA-N 2 0 257.334 -1.323 20 0 CAADRP [NH3+][C@@]1(CO)CCCN(C(=O)C[C@H]2COCC[NH2+]2)C1 ZINC001341856256 885861056 /nfs/dbraw/zinc/86/10/56/885861056.db2.gz ATQNJSTWFSBVDJ-JQWIXIFHSA-N 2 0 257.334 -1.323 20 0 CAADRP C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)NC[C@H]1C[NH2+]CCO1 ZINC001341847106 885861493 /nfs/dbraw/zinc/86/14/93/885861493.db2.gz KAADGGASQMFALT-IJLUTSLNSA-N 2 0 268.361 -1.521 20 0 CAADRP [NH3+][C@H](CO)C(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC001341922444 885863288 /nfs/dbraw/zinc/86/32/88/885863288.db2.gz CAKPEBSEQYBLQS-VWYCJHECSA-N 2 0 257.334 -1.636 20 0 CAADRP O=C(C[C@]1(O)CCC[NH2+]C1)NC[C@@H]1C[NH2+]CCO1 ZINC001341942350 885863942 /nfs/dbraw/zinc/86/39/42/885863942.db2.gz HCTXDCIPHOVPJP-CMPLNLGQSA-N 2 0 257.334 -1.404 20 0 CAADRP C[C@@H](NC(=O)C1(O)C[NH2+]C1)[C@H]1C[N@H+](C)CCN1C ZINC001341939977 885864790 /nfs/dbraw/zinc/86/47/90/885864790.db2.gz AMLOMGKEIHEODF-NXEZZACHSA-N 2 0 256.350 -1.929 20 0 CAADRP O=C(C[C@@]1(O)CCC[NH2+]C1)NC[C@@H]1C[NH2+]CCO1 ZINC001341942583 885864981 /nfs/dbraw/zinc/86/49/81/885864981.db2.gz HCTXDCIPHOVPJP-JQWIXIFHSA-N 2 0 257.334 -1.404 20 0 CAADRP COC[C@H]([NH3+])C(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCN1C ZINC001341940443 885865508 /nfs/dbraw/zinc/86/55/08/885865508.db2.gz IZMYFIINUFWAQU-DCAQKATOSA-N 2 0 258.366 -1.289 20 0 CAADRP C[C@@H](NC(=O)COCC[NH3+])[C@H]1C[N@H+](C)CCN1C ZINC001342035733 885869052 /nfs/dbraw/zinc/86/90/52/885869052.db2.gz NWZBXGYDJHQZNT-GHMZBOCLSA-N 2 0 258.366 -1.288 20 0 CAADRP [NH3+]C[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1COC2(C[NH2+]C2)C1 ZINC001342125455 885871086 /nfs/dbraw/zinc/87/10/86/885871086.db2.gz ITWKVFZAZAJBON-GUBZILKMSA-N 2 0 255.318 -1.403 20 0 CAADRP CC(C)OC[C@H]([NH3+])C(=O)N[C@H]1COC2(C[NH2+]C2)C1 ZINC001342127241 885871672 /nfs/dbraw/zinc/87/16/72/885871672.db2.gz TZVBCYLBUBYALQ-ZJUUUORDSA-N 2 0 257.334 -1.014 20 0 CAADRP O=C(C[C@@H]1COCC[NH2+]1)N[C@H]1COC2(C[NH2+]C2)C1 ZINC001342215532 885875997 /nfs/dbraw/zinc/87/59/97/885875997.db2.gz MCUOXBCUTIQPKX-NXEZZACHSA-N 2 0 255.318 -1.388 20 0 CAADRP C[C@H]([NH3+])CONC(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC001342163860 885876441 /nfs/dbraw/zinc/87/64/41/885876441.db2.gz PWOIIOYNWZILJI-VHSXEESVSA-N 2 0 272.349 -1.209 20 0 CAADRP C[C@@]1(NC(=O)[C@@H]2CC(=O)N(C3C[NH2+]C3)C2)CC[NH2+]C1 ZINC001342268880 885879620 /nfs/dbraw/zinc/87/96/20/885879620.db2.gz CPZGPIXCKORPDT-NOZJJQNGSA-N 2 0 266.345 -1.325 20 0 CAADRP COC[C@H]1C[NH2+]CCN1C(=O)C[C@@H]1COCC[NH2+]1 ZINC001342293979 885880203 /nfs/dbraw/zinc/88/02/03/885880203.db2.gz GOMYIBAXDPBYHN-GHMZBOCLSA-N 2 0 257.334 -1.188 20 0 CAADRP C[NH2+]CCOCCN(C)C(=O)[C@@]1(C)C[C@H](O)C[NH2+]1 ZINC001342222662 885880757 /nfs/dbraw/zinc/88/07/57/885880757.db2.gz YIYJRBFVSUKUIG-CMPLNLGQSA-N 2 0 259.350 -1.206 20 0 CAADRP C[NH2+]C[C@H](C)NC(=O)[C@H]1CC(=O)N(C2C[NH2+]C2)C1 ZINC001342266500 885880593 /nfs/dbraw/zinc/88/05/93/885880593.db2.gz XYEICGZDGSNRDG-IUCAKERBSA-N 2 0 254.334 -1.469 20 0 CAADRP CN1CC[NH2+]C[C@H]1C(=O)NCC1([NH3+])CCOCC1 ZINC001342301878 885880675 /nfs/dbraw/zinc/88/06/75/885880675.db2.gz OAIVZUHDOOELTI-JTQLQIEISA-N 2 0 256.350 -1.486 20 0 CAADRP C[NH2+]CCOCCN(C)C(=O)C1(C[NH3+])CC(O)C1 ZINC001342220016 885880960 /nfs/dbraw/zinc/88/09/60/885880960.db2.gz MIVIUKALPWNWBW-UHFFFAOYSA-N 2 0 259.350 -1.219 20 0 CAADRP [NH3+]CCN1CCC[C@@H](C(=O)NC[C@@H]2COCC[NH2+]2)C1=O ZINC001342312176 885884024 /nfs/dbraw/zinc/88/40/24/885884024.db2.gz FGRFMPHDJZTQHJ-MNOVXSKESA-N 2 0 284.360 -1.712 20 0 CAADRP [NH3+]CCCn1ccc(C(=O)NC[C@H]2COCC[NH2+]2)n1 ZINC001342313657 885884437 /nfs/dbraw/zinc/88/44/37/885884437.db2.gz JODPWOWRPGIIFW-JTQLQIEISA-N 2 0 267.333 -1.050 20 0 CAADRP [NH3+]CCN1CCC[C@H](C(=O)N2CC[NH2+]C[C@@H]2CO)C1=O ZINC001342438182 885885769 /nfs/dbraw/zinc/88/57/69/885885769.db2.gz GCOISWHMVWGZQV-MNOVXSKESA-N 2 0 284.360 -2.024 20 0 CAADRP [NH3+]C[C@H]1CCCN1C(=O)[C@H]1CC(=O)N(C2C[NH2+]C2)C1 ZINC001342396880 885887153 /nfs/dbraw/zinc/88/71/53/885887153.db2.gz BYMTZCUSRVEUAV-VHSXEESVSA-N 2 0 266.345 -1.244 20 0 CAADRP [NH3+]CCN1CCC[C@@H](C(=O)N2CC[NH2+]C[C@H]2CO)C1=O ZINC001342438186 885887776 /nfs/dbraw/zinc/88/77/76/885887776.db2.gz GCOISWHMVWGZQV-WDEREUQCSA-N 2 0 284.360 -2.024 20 0 CAADRP [NH3+]C1CCN(CCNC(=O)[C@@H]2C[NH2+]CCO2)CC1 ZINC001342476174 885889853 /nfs/dbraw/zinc/88/98/53/885889853.db2.gz KTWHBPHXQNQMBC-NSHDSACASA-N 2 0 256.350 -1.486 20 0 CAADRP [NH3+]CCNCC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC001342449512 885891309 /nfs/dbraw/zinc/89/13/09/885891309.db2.gz VDBBUNVMOAHEEF-OKILXGFUSA-N 3 0 295.431 -1.038 20 0 CAADRP O=C(C[C@@H]1C[NH2+]CCO1)N1CCNCC[NH2+]CC1 ZINC001342627191 885892920 /nfs/dbraw/zinc/89/29/20/885892920.db2.gz DNNDFGQBLWUAEZ-LLVKDONJSA-N 2 0 256.350 -1.614 20 0 CAADRP [NH3+]CCN1CCC[C@H](C(=O)N2CCNCC[NH2+]CC2)C1=O ZINC001342624062 885893929 /nfs/dbraw/zinc/89/39/29/885893929.db2.gz VUYHVYSURCVGKN-LBPRGKRZSA-N 2 0 297.403 -1.795 20 0 CAADRP COC[C@@]1(C(=O)N2CCNCC[NH2+]CC2)C[NH2+]CCO1 ZINC001342622132 885894939 /nfs/dbraw/zinc/89/49/39/885894939.db2.gz LUFWLHGWHGUVLD-CYBMUJFWSA-N 2 0 286.376 -1.987 20 0 CAADRP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)N[C@H]1C[NH2+]CC12CC2 ZINC001342866750 885900473 /nfs/dbraw/zinc/90/04/73/885900473.db2.gz XUYMYEKSLHYWAI-UWVGGRQHSA-N 2 0 266.345 -1.277 20 0 CAADRP CN1CCN(C(=O)[C@]23C[NH2+]C[C@H]2COC3)CC[N@H+](C)CC1 ZINC001342913431 885900769 /nfs/dbraw/zinc/90/07/69/885900769.db2.gz KUUWFVXFIUTZHN-ZFWWWQNUSA-N 2 0 296.415 -1.072 20 0 CAADRP [NH3+]C1(CNC(=O)CCNC(=O)[C@H]2CCC[NH2+]2)CC1 ZINC001342930928 885902096 /nfs/dbraw/zinc/90/20/96/885902096.db2.gz AVEGUVGEOFGWFK-SECBINFHSA-N 2 0 254.334 -1.148 20 0 CAADRP [NH3+]CCn1cc(C(=O)N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)nn1 ZINC001343056388 885905100 /nfs/dbraw/zinc/90/51/00/885905100.db2.gz OSJDCXZZLAHQSR-DJLDLDEBSA-N 2 0 250.306 -1.141 20 0 CAADRP COCC[C@@H]1C[NH2+]CCN1C(=O)CNC(=O)C[NH3+] ZINC001342996465 885905242 /nfs/dbraw/zinc/90/52/42/885905242.db2.gz YXSSSYSODSXAIL-SECBINFHSA-N 2 0 258.322 -2.102 20 0 CAADRP O=C(NC[C@@H]1C[NH2+]CCO1)[C@H]1[NH2+]CC12CCOCC2 ZINC001343099818 885905561 /nfs/dbraw/zinc/90/55/61/885905561.db2.gz PYLHDMONXYVWPJ-WDEREUQCSA-N 2 0 269.345 -1.140 20 0 CAADRP O=C(NC[C@@H]1CCC[NH2+]1)[C@H]1CC(=O)N(C2C[NH2+]C2)C1 ZINC001343036670 885905743 /nfs/dbraw/zinc/90/57/43/885905743.db2.gz GUHMAGLKWZIMMS-UWVGGRQHSA-N 2 0 266.345 -1.325 20 0 CAADRP [NH3+]C[C@H]1CCN(C(=O)[C@H]2CC(=O)N(C3C[NH2+]C3)C2)C1 ZINC001343039516 885905755 /nfs/dbraw/zinc/90/57/55/885905755.db2.gz YXFCYOGFDXVXTH-ZJUUUORDSA-N 2 0 266.345 -1.386 20 0 CAADRP O=C(NC[C@H]1CCC[NH2+]1)[C@H]1CC(=O)N(C2C[NH2+]C2)C1 ZINC001343036671 885905981 /nfs/dbraw/zinc/90/59/81/885905981.db2.gz GUHMAGLKWZIMMS-VHSXEESVSA-N 2 0 266.345 -1.325 20 0 CAADRP CN1CC[NH2+]C[C@@H]1C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC001343506477 885916766 /nfs/dbraw/zinc/91/67/66/885916766.db2.gz FHBCQNUUOHGPSP-QWHCGFSZSA-N 2 0 281.404 -1.604 20 0 CAADRP C[NH2+]C[C@H](O)[C@@H](C)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC001343505153 885918504 /nfs/dbraw/zinc/91/85/04/885918504.db2.gz LKWPTKNDBQRSML-MXWKQRLJSA-N 2 0 259.350 -1.303 20 0 CAADRP CN(C(=O)CNC(=O)[C@H]1CCC[NH2+]1)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001343654125 885920573 /nfs/dbraw/zinc/92/05/73/885920573.db2.gz FSYUXVFDGRIZDW-KLBPJQLPSA-N 2 0 266.345 -1.469 20 0 CAADRP C[C@]1(C(=O)N[C@H]2COC3(C[NH2+]C3)C2)C[C@@H](O)C[NH2+]1 ZINC001344013040 885929805 /nfs/dbraw/zinc/92/98/05/885929805.db2.gz ZKVCYUCOUZXKLR-FXPVBKGRSA-N 2 0 255.318 -1.654 20 0 CAADRP CCN(CC[NH3+])C(=O)[C@@H]1CCCN(CC[NH3+])C1=O ZINC001344127404 885933160 /nfs/dbraw/zinc/93/31/60/885933160.db2.gz BXHNYCXQLZJTRJ-JTQLQIEISA-N 2 0 256.350 -1.009 20 0 CAADRP C[NH+](C)CCn1cc(C(=O)N[C@@H]2C[NH2+]C[C@@H]2O)cn1 ZINC001344082264 885934881 /nfs/dbraw/zinc/93/48/81/885934881.db2.gz UJLFBAVQJPFVBR-MNOVXSKESA-N 2 0 267.333 -1.493 20 0 CAADRP C[NH2+]C[C@@H](O)CN(C)C(=O)C[NH2+]C[C@@H]1CCCO1 ZINC001344385861 885939636 /nfs/dbraw/zinc/93/96/36/885939636.db2.gz BPDLJQQDFCUVSJ-MNOVXSKESA-N 2 0 259.350 -1.206 20 0 CAADRP [NH3+]CCCOCCNC(=O)C[C@]1(O)CCC[NH2+]C1 ZINC001344357197 885942145 /nfs/dbraw/zinc/94/21/45/885942145.db2.gz KWWGRBVGVQRSRF-GFCCVEGCSA-N 2 0 259.350 -1.027 20 0 CAADRP O=C(CO[C@H]1CCC[NH2+]C1)N1CC[NH2+]C[C@H]1CO ZINC001344519656 885943827 /nfs/dbraw/zinc/94/38/27/885943827.db2.gz VDBOUMOFACAFID-QWRGUYRKSA-N 2 0 257.334 -1.452 20 0 CAADRP O=C(CO[C@H]1CCC[NH2+]C1)N1CC[NH2+]C[C@@H]1CO ZINC001344519653 885946524 /nfs/dbraw/zinc/94/65/24/885946524.db2.gz VDBOUMOFACAFID-MNOVXSKESA-N 2 0 257.334 -1.452 20 0 CAADRP [NH3+][C@@H]1C[C@H](C(=O)N2CCNCC[NH2+]CC2)[C@H]2C[C@H]21 ZINC001344963586 885952937 /nfs/dbraw/zinc/95/29/37/885952937.db2.gz QOJQGNIFSLXEJQ-WHOHXGKFSA-N 2 0 252.362 -1.009 20 0 CAADRP CN1CC[NH2+]C[C@H]1C(=O)N1CCC[C@@]([NH3+])(CO)C1 ZINC001344988240 885954555 /nfs/dbraw/zinc/95/45/55/885954555.db2.gz KPTNRKJUDWJQOG-JQWIXIFHSA-N 2 0 256.350 -1.798 20 0 CAADRP CN1CC[NH2+]C[C@H]1C(=O)N1CCC[C@]([NH3+])(CO)C1 ZINC001344988239 885956055 /nfs/dbraw/zinc/95/60/55/885956055.db2.gz KPTNRKJUDWJQOG-CMPLNLGQSA-N 2 0 256.350 -1.798 20 0 CAADRP O=C(NC1C[NH2+]C1)C(=O)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC001345198861 885959086 /nfs/dbraw/zinc/95/90/86/885959086.db2.gz VEZAWDNRXVCLNY-LLVKDONJSA-N 2 0 266.345 -1.229 20 0 CAADRP CC(C)C[NH2+]CC(=O)NCC(=O)N1CC[NH2+]CC1 ZINC001345597694 885961826 /nfs/dbraw/zinc/96/18/26/885961826.db2.gz ROMKPRSEUAJUMB-UHFFFAOYSA-N 2 0 256.350 -1.220 20 0 CAADRP C[NH+]1CCN(C[C@H](O)C[NH2+]CCNC(=O)C2CC2)CC1 ZINC001345607345 885965282 /nfs/dbraw/zinc/96/52/82/885965282.db2.gz WXPUNMKKEBDNLN-CYBMUJFWSA-N 2 0 284.404 -1.290 20 0 CAADRP C[NH2+]CCN(CCNC(=O)C[NH2+]C)C(=O)C[NH2+]C ZINC001345728254 885967087 /nfs/dbraw/zinc/96/70/87/885967087.db2.gz WYVVACBGKMONFW-UHFFFAOYSA-N 3 0 259.354 -2.411 20 0 CAADRP [NH3+]C[C@@H]1CN(C(=O)C[C@H]2C[NH2+]CCO2)CCCO1 ZINC001345897066 885972863 /nfs/dbraw/zinc/97/28/63/885972863.db2.gz SGDPFKCLDYVCNC-WDEREUQCSA-N 2 0 257.334 -1.059 20 0 CAADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)NCC1([NH3+])CC1 ZINC001345914305 885973019 /nfs/dbraw/zinc/97/30/19/885973019.db2.gz XGFMNQVIIROLPM-SNVBAGLBSA-N 2 0 283.376 -2.044 20 0 CAADRP [NH3+]C[C@H]1CN(C(=O)C[C@@H]2C[NH2+]CCO2)CCCO1 ZINC001345897064 885974780 /nfs/dbraw/zinc/97/47/80/885974780.db2.gz SGDPFKCLDYVCNC-MNOVXSKESA-N 2 0 257.334 -1.059 20 0 CAADRP Cn1[nH]c(C2CC[NH2+]CC2)nc1=NC(=O)CC[NH3+] ZINC001345911538 885975092 /nfs/dbraw/zinc/97/50/92/885975092.db2.gz BMGDSQAEFVNCPP-UHFFFAOYSA-N 2 0 252.322 -1.009 20 0 CAADRP O=C(CC[NH+]1CCN([C@H]2CC[NH2+]C2)CC1)N1CC[NH2+]CC1 ZINC001346018631 885980442 /nfs/dbraw/zinc/98/04/42/885980442.db2.gz XKSNLLWZDINFJU-AWEZNQCLSA-N 3 0 295.431 -1.212 20 0 CAADRP [NH3+]CC(=O)NCC(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC001346028000 885982536 /nfs/dbraw/zinc/98/25/36/885982536.db2.gz DFKAGFOYPQHBCT-LPEHRKFASA-N 2 0 254.334 -1.353 20 0 CAADRP [NH3+]C[C@@H]1CN(C(=O)C[C@H]2COCC[NH2+]2)CCCO1 ZINC001346029522 885982701 /nfs/dbraw/zinc/98/27/01/885982701.db2.gz OPWCJMFSESAQRR-WDEREUQCSA-N 2 0 257.334 -1.059 20 0 CAADRP [NH3+]CC(=O)NCC(=O)N[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC001346056414 885984407 /nfs/dbraw/zinc/98/44/07/885984407.db2.gz OTNCGUCGWBJLGN-SECBINFHSA-N 2 0 254.334 -1.148 20 0 CAADRP [NH3+][C@@H]1C[C@H](C(=O)NCC(=O)N2CC[NH2+]CC2)[C@H]2C[C@H]21 ZINC001346056884 885985943 /nfs/dbraw/zinc/98/59/43/885985943.db2.gz FEJCCVXWMJAYRW-ZRUFSTJUSA-N 2 0 266.345 -1.482 20 0 CAADRP C[NH+]1CCN(CC[NH2+]CCC(=O)NC(N)=O)CC1 ZINC001346122509 885986332 /nfs/dbraw/zinc/98/63/32/885986332.db2.gz KHWKAJXIZIJUEJ-UHFFFAOYSA-N 2 0 257.338 -1.592 20 0 CAADRP CN1CCN(C(=O)C2=NO[C@H](C[NH3+])C2)[C@@H](CO)C1 ZINC001346227531 885992228 /nfs/dbraw/zinc/99/22/28/885992228.db2.gz ALNGJFHUFNIEOY-BDAKNGLRSA-N 2 0 256.306 -1.775 20 0 CAADRP [NH3+][C@H]1C[C@@H](NC(=O)[C@H]2CC(=O)N(C3C[NH2+]C3)C2)C1 ZINC001346419301 886005231 /nfs/dbraw/zinc/00/52/31/886005231.db2.gz JGZOPUFGFYEXHP-XHNCKOQMSA-N 2 0 252.318 -1.587 20 0 CAADRP C[NH+](C)CCOCCNC(=O)N1CCNCC[NH2+]CC1 ZINC001346416819 886005307 /nfs/dbraw/zinc/00/53/07/886005307.db2.gz AZACKEUQTXDZJN-UHFFFAOYSA-N 2 0 287.408 -1.231 20 0 CAADRP O=C(NC[C@H]1C[NH2+]CCO1)N1CCNCC[NH2+]CC1 ZINC001346502026 886007680 /nfs/dbraw/zinc/00/76/80/886007680.db2.gz SBBGAHDXXCJSDJ-LLVKDONJSA-N 2 0 271.365 -1.821 20 0 CAADRP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)N[C@H]2CC[NH2+]C2)n1 ZINC001347062200 886023915 /nfs/dbraw/zinc/02/39/15/886023915.db2.gz YSINIWLYSQBBSA-ZETCQYMHSA-N 2 0 266.305 -1.198 20 0 CAADRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)N[C@H]2CC[NH2+]C2)C1 ZINC001347073901 886027473 /nfs/dbraw/zinc/02/74/73/886027473.db2.gz NJTAJEIKXWCZKT-GARJFASQSA-N 2 0 268.361 -1.079 20 0 CAADRP NC(=O)C1([NH2+]CCN2CC[NH2+]CC2)CCOCC1 ZINC001347145979 886029876 /nfs/dbraw/zinc/02/98/76/886029876.db2.gz SHUCZENWRFCZEA-UHFFFAOYSA-N 2 0 256.350 -1.484 20 0 CAADRP C[NH2+][C@@H](C)CCNS(=O)(=O)C[C@@H]1C[NH2+]CCO1 ZINC001348563497 886091342 /nfs/dbraw/zinc/09/13/42/886091342.db2.gz RPYPKCWPOUUZPC-UWVGGRQHSA-N 2 0 265.379 -1.108 20 0 CAADRP C[NH2+][C@H](C)CCNS(=O)(=O)C[C@H]1C[NH2+]CCO1 ZINC001348563441 886091363 /nfs/dbraw/zinc/09/13/63/886091363.db2.gz RPYPKCWPOUUZPC-NXEZZACHSA-N 2 0 265.379 -1.108 20 0 CAADRP O=S(=O)(C[C@H]1C[NH2+]CCO1)NC1CC[NH2+]CC1 ZINC001348564426 886091714 /nfs/dbraw/zinc/09/17/14/886091714.db2.gz XVCKGPJUNZKPBO-SNVBAGLBSA-N 2 0 263.363 -1.354 20 0 CAADRP O=S(=O)(C[C@@H]1C[NH2+]CCO1)NC1CC[NH2+]CC1 ZINC001348564425 886093398 /nfs/dbraw/zinc/09/33/98/886093398.db2.gz XVCKGPJUNZKPBO-JTQLQIEISA-N 2 0 263.363 -1.354 20 0 CAADRP C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)NC[C@@H]1C[NH+](C)CCN1C ZINC001348833181 886103281 /nfs/dbraw/zinc/10/32/81/886103281.db2.gz YPNDEAVEZIXOPI-MCIONIFRSA-N 2 0 295.431 -1.263 20 0 CAADRP O=C(CNC(=O)[C@@H]1[NH2+]C[C@@H]2C[C@@H]21)N1CC[NH2+]CC1 ZINC001348822373 886103884 /nfs/dbraw/zinc/10/38/84/886103884.db2.gz VDSKTDXZMUTOEI-ATZCPNFKSA-N 2 0 252.318 -1.858 20 0 CAADRP [NH3+][C@@H]1CCN(C(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC001349139644 886116480 /nfs/dbraw/zinc/11/64/80/886116480.db2.gz WDSPEOVIWGFCLM-ZJUUUORDSA-N 2 0 254.334 -1.196 20 0 CAADRP COC(=O)C[C@H]([NH3+])C(=O)N1CCO[C@@H]([C@@H](C)[NH3+])C1 ZINC001349155941 886116755 /nfs/dbraw/zinc/11/67/55/886116755.db2.gz MZOOJEUVEDPOPT-HRDYMLBCSA-N 2 0 259.306 -1.549 20 0 CAADRP [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)C2([NH3+])CC2)C1 ZINC001349386979 886126341 /nfs/dbraw/zinc/12/63/41/886126341.db2.gz ZJWAXCZMLOCFLA-SECBINFHSA-N 2 0 254.334 -1.209 20 0 CAADRP NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)COCC[NH3+])C1 ZINC001349457694 886129660 /nfs/dbraw/zinc/12/96/60/886129660.db2.gz HMNBBWMITMWOPQ-NSHDSACASA-N 2 0 286.376 -1.335 20 0 CAADRP [NH3+]CC1(NC(=O)CN2CC[NH2+]CC2)CCOCC1 ZINC001349612922 886139116 /nfs/dbraw/zinc/13/91/16/886139116.db2.gz WBHMYUTZLDXGSW-UHFFFAOYSA-N 2 0 256.350 -1.484 20 0 CAADRP C[NH+](C)CC[C@H](N)C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC001349656097 886140846 /nfs/dbraw/zinc/14/08/46/886140846.db2.gz LBPLVSVVLFTNPE-STQMWFEESA-N 2 0 283.420 -1.229 20 0 CAADRP CO[C@@H](C[NH3+])C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC001349816676 886150402 /nfs/dbraw/zinc/15/04/02/886150402.db2.gz QMFJOFISQHRCKH-QWRGUYRKSA-N 2 0 256.350 -1.534 20 0 CAADRP C[NH2+]C[C@H](C)NC(=O)C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC001350330994 886164892 /nfs/dbraw/zinc/16/48/92/886164892.db2.gz CDDKNUYUEDNXAA-WDEREUQCSA-N 2 0 285.392 -1.928 20 0 CAADRP [NH3+][C@H]1C[C@@H](CNC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC001352056181 886234451 /nfs/dbraw/zinc/23/44/51/886234451.db2.gz WKZCEFOOHSZQKI-AEJSXWLSSA-N 2 0 254.334 -1.292 20 0 CAADRP CN(CCN1CC[NH2+]CC1)C(=O)[C@@H]1[NH2+]C[C@@H]2C[C@@H]21 ZINC001352094947 886240353 /nfs/dbraw/zinc/24/03/53/886240353.db2.gz SLTHMSDCEXJKCX-SDDRHHMPSA-N 2 0 252.362 -1.042 20 0 CAADRP C[C@@H]([NH3+])CONC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC001354063333 886296784 /nfs/dbraw/zinc/29/67/84/886296784.db2.gz PUYJETWDMYIDIC-BDAKNGLRSA-N 2 0 258.322 -1.360 20 0 CAADRP COC[C@@]1(C(=O)NC[C@H]2C[C@@H]([NH3+])C2)C[NH2+]CCO1 ZINC001352861168 886251626 /nfs/dbraw/zinc/25/16/26/886251626.db2.gz IAQGDNIUTMMGAZ-JFGNBEQYSA-N 2 0 257.334 -1.155 20 0 CAADRP CC[NH2+]CCCNC(=O)[C@@H]1CC(=O)N(C2C[NH2+]C2)C1 ZINC001352987591 886254421 /nfs/dbraw/zinc/25/44/21/886254421.db2.gz IOKFSTOVOOXVMR-SNVBAGLBSA-N 2 0 268.361 -1.078 20 0 CAADRP C[NH2+]C[C@H](C)CNC(=O)[C@H]1CC(=O)N(C2C[NH2+]C2)C1 ZINC001353003741 886256047 /nfs/dbraw/zinc/25/60/47/886256047.db2.gz GNYYIYATOSQWME-UWVGGRQHSA-N 2 0 268.361 -1.222 20 0 CAADRP CN(C(=O)[C@H]1CC(=O)N(C2C[NH2+]C2)C1)[C@H]1CC[NH2+]C1 ZINC001353004652 886256487 /nfs/dbraw/zinc/25/64/87/886256487.db2.gz LJLOQDYVNLEKHS-UWVGGRQHSA-N 2 0 266.345 -1.373 20 0 CAADRP O=C([C@@H]1CC(=O)N(C2C[NH2+]C2)C1)N1CC[NH2+]CC1 ZINC001352978509 886256669 /nfs/dbraw/zinc/25/66/69/886256669.db2.gz UGSGFSCJLDKISX-SECBINFHSA-N 2 0 252.318 -1.762 20 0 CAADRP C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC001353005283 886257229 /nfs/dbraw/zinc/25/72/29/886257229.db2.gz QRPLKERWUSLSCR-UPJWGTAASA-N 2 0 281.404 -1.524 20 0 CAADRP C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)NC1CC[NH+](C)CC1 ZINC001353118014 886259828 /nfs/dbraw/zinc/25/98/28/886259828.db2.gz CMKQGWQMWJVDNJ-MWLCHTKSSA-N 2 0 268.361 -1.079 20 0 CAADRP C[NH+]1CCN(C[C@H](O)C[NH2+]CCn2ccnn2)CC1 ZINC001353242093 886269602 /nfs/dbraw/zinc/26/96/02/886269602.db2.gz VSERIQZRHPTYRJ-GFCCVEGCSA-N 2 0 268.365 -1.524 20 0 CAADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC001353263085 886270963 /nfs/dbraw/zinc/27/09/63/886270963.db2.gz NWSCEEDLAODKRK-UTUOFQBUSA-N 2 0 297.403 -1.704 20 0 CAADRP CN1CC[NH2+]C[C@@H]1C(=O)NCCC[NH+]1CCC(O)CC1 ZINC001353483661 886279577 /nfs/dbraw/zinc/27/95/77/886279577.db2.gz XBAVOCZXLGSNKS-CYBMUJFWSA-N 2 0 284.404 -1.147 20 0 CAADRP C[C@@H]1C[NH2+]C[C@H]1NC(=O)N1CCNCC[NH2+]CC1 ZINC001353457480 886279830 /nfs/dbraw/zinc/27/98/30/886279830.db2.gz QXICESMQGDRLGZ-GHMZBOCLSA-N 2 0 255.366 -1.201 20 0 CAADRP COC(=O)[C@H]1C[NH2+]CCCN1C(=O)CNCC[NH3+] ZINC001353644188 886282190 /nfs/dbraw/zinc/28/21/90/886282190.db2.gz AQIQVASMEGGKTB-SECBINFHSA-N 2 0 258.322 -2.102 20 0 CAADRP C[C@H](C[NH3+])CNC(=O)[C@H]1CC(=O)N(C2C[NH2+]C2)C1 ZINC001353590857 886283938 /nfs/dbraw/zinc/28/39/38/886283938.db2.gz ABCCZMUOXFYLOO-BDAKNGLRSA-N 2 0 254.334 -1.482 20 0 CAADRP [NH3+]CCN1CCC[C@H](C(=O)NCC2C[NH2+]C2)C1=O ZINC001353602860 886285634 /nfs/dbraw/zinc/28/56/34/886285634.db2.gz VQDUUFHXPIADEE-SNVBAGLBSA-N 2 0 254.334 -1.481 20 0 CAADRP CN(Cc1cnnn1[C@@H]1CCC[NH2+]C1)C[C@@H](O)C[NH3+] ZINC001353943126 886292041 /nfs/dbraw/zinc/29/20/41/886292041.db2.gz LSRHIWRZROERGO-PWSUYJOCSA-N 2 0 268.365 -1.046 20 0 CAADRP C[NH2+]C[C@@H](C)CNS(=O)(=O)N1CC[NH2+]CC1 ZINC001354183249 886301167 /nfs/dbraw/zinc/30/11/67/886301167.db2.gz BCDKVXNVRCIYFQ-SECBINFHSA-N 2 0 250.368 -1.419 20 0 CAADRP COCCOC[C@H](O)CN1CC[NH2+]CC[NH2+]CC1 ZINC001354183623 886302431 /nfs/dbraw/zinc/30/24/31/886302431.db2.gz CQMSSSILOGFYCR-GFCCVEGCSA-N 2 0 261.366 -1.495 20 0 CAADRP CN(C)c1nc(N)nc(CN2CC[NH2+]CC[NH2+]CC2)n1 ZINC001354185115 886302592 /nfs/dbraw/zinc/30/25/92/886302592.db2.gz PZFGOIYINSVURN-UHFFFAOYSA-N 2 0 280.380 -1.485 20 0 CAADRP C[NH2+]CCOCCNC(=O)[C@@H]1CC(=O)N(C2C[NH2+]C2)C1 ZINC001354397202 886309475 /nfs/dbraw/zinc/30/94/75/886309475.db2.gz MSZOBETUKZPTDX-SNVBAGLBSA-N 2 0 284.360 -1.841 20 0 CAADRP C[C@@H]1[NH2+]CC[C@H]1C(=O)N1NC(=O)C[C@@]12CC[NH2+]C2 ZINC001354511832 886312527 /nfs/dbraw/zinc/31/25/27/886312527.db2.gz JQTBRRDRACLXMV-YGOYTEALSA-N 2 0 252.318 -1.020 20 0 CAADRP [NH3+][C@@H]1CCO[C@@H]1C(=O)N1CCC[C@@H]([NH2+]CCO)C1 ZINC001354438668 886313757 /nfs/dbraw/zinc/31/37/57/886313757.db2.gz YWIHBFTXJDNNNE-MXWKQRLJSA-N 2 0 257.334 -1.325 20 0 CAADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N1NC(=O)C[C@@]12CC[NH2+]C2 ZINC001354511827 886314438 /nfs/dbraw/zinc/31/44/38/886314438.db2.gz JQTBRRDRACLXMV-HOTUBEGUSA-N 2 0 252.318 -1.020 20 0 CAADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N1NC(=O)C[C@]12CC[NH2+]C2 ZINC001354511824 886314932 /nfs/dbraw/zinc/31/49/32/886314932.db2.gz JQTBRRDRACLXMV-AUTRQRHGSA-N 2 0 252.318 -1.020 20 0 CAADRP O=C(COC1CC[NH2+]CC1)N1CC[NH2+]C[C@@H]1CO ZINC001354594844 886318742 /nfs/dbraw/zinc/31/87/42/886318742.db2.gz UIVKMCGDVDMJOC-SNVBAGLBSA-N 2 0 257.334 -1.452 20 0 CAADRP [NH3+]C[C@H]1CC(C(=O)N2CCNCC[NH2+]CC2)=NO1 ZINC001355015393 886328636 /nfs/dbraw/zinc/32/86/36/886328636.db2.gz GEUGVLYPXUZBQL-SECBINFHSA-N 2 0 255.322 -1.889 20 0 CAADRP [NH3+]C[C@@H]1CC(C(=O)N2CCNCC[NH2+]CC2)=NO1 ZINC001355015482 886329588 /nfs/dbraw/zinc/32/95/88/886329588.db2.gz GEUGVLYPXUZBQL-VIFPVBQESA-N 2 0 255.322 -1.889 20 0 CAADRP [NH3+]CCOCC(=O)N1CCC2(CC1)C[NH2+]CCO2 ZINC001355170328 886335568 /nfs/dbraw/zinc/33/55/68/886335568.db2.gz PFPLZPYNQSKCHE-UHFFFAOYSA-N 2 0 257.334 -1.057 20 0 CAADRP [NH3+]C[C@H]1C[C@H](NC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC001355533740 886344855 /nfs/dbraw/zinc/34/48/55/886344855.db2.gz LDCRDSQNOIJUGN-GUBZILKMSA-N 2 0 254.334 -1.292 20 0 CAADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N(C)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001356371427 886362835 /nfs/dbraw/zinc/36/28/35/886362835.db2.gz UGKXTWQNUPWCDF-BSJXLVFVSA-N 2 0 268.361 -1.238 20 0 CAADRP [NH3+]C1(C(=O)NC[C@@]2(CO)COC[C@@H]3CCC[N@@H+]32)CC1 ZINC001356403016 886364497 /nfs/dbraw/zinc/36/44/97/886364497.db2.gz WRSHAASGAQQZID-CMPLNLGQSA-N 2 0 269.345 -1.180 20 0 CAADRP C[NH+]1CCN(C[C@@H](O)C[NH2+][C@@H](CO)CCF)CC1 ZINC001356595531 886370384 /nfs/dbraw/zinc/37/03/84/886370384.db2.gz KXQYIROSYQUCCE-NEPJUHHUSA-N 2 0 263.357 -1.095 20 0 CAADRP CN(C)C(=O)NCC[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC001356597981 886370589 /nfs/dbraw/zinc/37/05/89/886370589.db2.gz WUARZZIAEJKQST-LBPRGKRZSA-N 2 0 287.408 -1.545 20 0 CAADRP C[NH2+]C[C@H](O)[C@@H](C)C(=O)N1CCC[C@@]([NH3+])(CO)C1 ZINC001358238764 886421643 /nfs/dbraw/zinc/42/16/43/886421643.db2.gz TZEMRNCODOWTBD-SCVCMEIPSA-N 2 0 259.350 -1.485 20 0 CAADRP CCON(C)C(=O)C[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC001357243060 886396025 /nfs/dbraw/zinc/39/60/25/886396025.db2.gz PRUXPFACUAXKRO-LBPRGKRZSA-N 2 0 288.392 -1.406 20 0 CAADRP C[NH2+]C[C@H](O)[C@H](C)C(=O)NCC[N@H+](C)CCOC ZINC001357391676 886403888 /nfs/dbraw/zinc/40/38/88/886403888.db2.gz KZTAOFUVCFWJHU-QWRGUYRKSA-N 2 0 261.366 -1.103 20 0 CAADRP COC[C@H]([NH3+])C(=O)NC[C@H](C)N1CC[NH+](C)CC1 ZINC001357431337 886406005 /nfs/dbraw/zinc/40/60/05/886406005.db2.gz SSMTWOXXCCCUBA-QWRGUYRKSA-N 2 0 258.366 -1.288 20 0 CAADRP [NH3+]CCNCC(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC001357471222 886409504 /nfs/dbraw/zinc/40/95/04/886409504.db2.gz CAWANQQEHAHZBP-LLVKDONJSA-N 2 0 255.366 -1.959 20 0 CAADRP [NH3+]CCNCC(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC001357471225 886409806 /nfs/dbraw/zinc/40/98/06/886409806.db2.gz CAWANQQEHAHZBP-NSHDSACASA-N 2 0 255.366 -1.959 20 0 CAADRP O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)[C@]12C[NH2+]C[C@H]1CCOC2 ZINC001357473989 886410247 /nfs/dbraw/zinc/41/02/47/886410247.db2.gz JTFQBWRBCOQIQP-IIEKFROSSA-N 2 0 251.330 -1.054 20 0 CAADRP C[NH2+]CCOCCNC(=O)N1CC[NH2+]C[C@H]1COC ZINC001357517105 886410267 /nfs/dbraw/zinc/41/02/67/886410267.db2.gz GJHPQWZHACVTFG-NSHDSACASA-N 2 0 274.365 -1.148 20 0 CAADRP C[NH2+]CCN(C)C(=O)[C@@H]1CC(=O)N(C2C[NH2+]C2)C1 ZINC001357444633 886410408 /nfs/dbraw/zinc/41/04/08/886410408.db2.gz PYXIQJYLVXQOPT-SECBINFHSA-N 2 0 254.334 -1.516 20 0 CAADRP O=C(C[C@@H]1C[NH2+]CCO1)N[C@H]1COC2(C[NH2+]C2)C1 ZINC001357842860 886414435 /nfs/dbraw/zinc/41/44/35/886414435.db2.gz HITIHLBQMGEJEP-NXEZZACHSA-N 2 0 255.318 -1.388 20 0 CAADRP O=C(N[C@H]1C[NH2+]C[C@H]1O)C1=NO[C@]2(C1)CCC[NH2+]C2 ZINC001357888350 886414599 /nfs/dbraw/zinc/41/45/99/886414599.db2.gz DKWSAZNVCXLCHC-UMNHJUIQSA-N 2 0 268.317 -1.666 20 0 CAADRP C[C@@H]([NH3+])C1(C(=O)NCC2(O)C[NH2+]C2)CCOCC1 ZINC001357821178 886415342 /nfs/dbraw/zinc/41/53/42/886415342.db2.gz TXJHHLCYENKFAS-SECBINFHSA-N 2 0 257.334 -1.419 20 0 CAADRP O=C(C[C@@H]1C[NH2+]CCO1)N[C@@H]1COC2(C[NH2+]C2)C1 ZINC001357842872 886415650 /nfs/dbraw/zinc/41/56/50/886415650.db2.gz HITIHLBQMGEJEP-VHSXEESVSA-N 2 0 255.318 -1.388 20 0 CAADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)[C@@H]1CC(=O)N(C2C[NH2+]C2)C1 ZINC001357969756 886417725 /nfs/dbraw/zinc/41/77/25/886417725.db2.gz ONCWNXVSGXXCHW-OPRDCNLKSA-N 2 0 266.345 -1.245 20 0 CAADRP COCCC1(NC(=O)CNCC[NH3+])CC[NH2+]CC1 ZINC001357999013 886418872 /nfs/dbraw/zinc/41/88/72/886418872.db2.gz FGTBAEHFKUYLSN-UHFFFAOYSA-N 2 0 258.366 -1.190 20 0 CAADRP O=C(C[NH+]1CCC(CO)CC1)N1CCNCC[NH2+]CC1 ZINC001358223437 886420257 /nfs/dbraw/zinc/42/02/57/886420257.db2.gz JDDIYZMJQPZVRJ-UHFFFAOYSA-N 2 0 284.404 -1.288 20 0 CAADRP C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)NCCN1CCC([NH3+])CC1 ZINC001358112360 886420792 /nfs/dbraw/zinc/42/07/92/886420792.db2.gz YQNPABBJTSGWAP-TZMCWYRMSA-N 2 0 295.431 -1.086 20 0 CAADRP C[NH2+]C[C@H](O)[C@H](C)C(=O)N1CCC[C@]([NH3+])(CO)C1 ZINC001358238760 886420877 /nfs/dbraw/zinc/42/08/77/886420877.db2.gz TZEMRNCODOWTBD-JBLDHEPKSA-N 2 0 259.350 -1.485 20 0 CAADRP [NH3+]CCNCC(=O)NCCCCCN1CC[NH2+]CC1 ZINC001358213910 886421360 /nfs/dbraw/zinc/42/13/60/886421360.db2.gz MNJLLNZRFMLFAT-UHFFFAOYSA-N 2 0 271.409 -1.274 20 0 CAADRP C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)NCCN1CCC([NH3+])CC1 ZINC001358112358 886421829 /nfs/dbraw/zinc/42/18/29/886421829.db2.gz YQNPABBJTSGWAP-OCCSQVGLSA-N 2 0 295.431 -1.086 20 0 CAADRP [NH3+]CC(=O)NCC(=O)N1CC[C@@]2(C1)CCCC[NH2+]2 ZINC001358316256 886424178 /nfs/dbraw/zinc/42/41/78/886424178.db2.gz BEAKDGAUDFQIFN-GFCCVEGCSA-N 2 0 254.334 -1.194 20 0 CAADRP CC1(C)C[NH2+]C[C@H]1NC(=O)c1cn(CC[NH3+])nn1 ZINC001358408396 886426909 /nfs/dbraw/zinc/42/69/09/886426909.db2.gz XGKONZOUUZXJDV-SECBINFHSA-N 2 0 252.322 -1.035 20 0 CAADRP C[NH2+]C[C@@H](O)[C@@H](C)C(=O)N1CCN(C)CC[N@H+](C)CC1 ZINC001358444733 886427012 /nfs/dbraw/zinc/42/70/12/886427012.db2.gz ONZKETUAYJJXMP-CHWSQXEVSA-N 2 0 286.420 -1.091 20 0 CAADRP C[NH2+]C[C@@H](O)[C@H](C)C(=O)N1CCN(C)CC[N@H+](C)CC1 ZINC001358444735 886427501 /nfs/dbraw/zinc/42/75/01/886427501.db2.gz ONZKETUAYJJXMP-QWHCGFSZSA-N 2 0 286.420 -1.091 20 0 CAADRP C[NH+]1CCC(NC(=O)C[N@@H+]2C[C@H](CO)[C@H](CO)C2)CC1 ZINC001364488202 887094513 /nfs/dbraw/zinc/09/45/13/887094513.db2.gz CDXOLBMHISLXBY-TXEJJXNPSA-N 2 0 285.388 -1.271 20 0 CAADRP CNC(=O)NC(=O)C[NH2+][C@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001366314398 887290429 /nfs/dbraw/zinc/29/04/29/887290429.db2.gz YNSNQLZQMHBVRK-NXEZZACHSA-N 2 0 299.375 -1.370 20 0 CAADRP C[C@H](CCNC(=O)CC[NH+](C)C)[NH2+]CC(=O)NC(N)=O ZINC001366483610 887302415 /nfs/dbraw/zinc/30/24/15/887302415.db2.gz GAXRINIMYOOKLR-SECBINFHSA-N 2 0 287.364 -1.383 20 0 CAADRP CNC(=O)C[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001367576451 887395330 /nfs/dbraw/zinc/39/53/30/887395330.db2.gz HJCVEJWUQIGUMJ-UWVGGRQHSA-N 2 0 272.349 -2.107 20 0 CAADRP CNC(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001367587117 887402878 /nfs/dbraw/zinc/40/28/78/887402878.db2.gz KAPDKTLCFRQUAR-PWSUYJOCSA-N 2 0 288.392 -1.615 20 0 CAADRP Cn1ccc(C[NH2+]C[C@@H](O)CNC(=O)CC[NH+](C)C)n1 ZINC001367601269 887406461 /nfs/dbraw/zinc/40/64/61/887406461.db2.gz MHQSZZIFIWZGEX-GFCCVEGCSA-N 2 0 283.376 -1.062 20 0 CAADRP C[C@@H]([NH2+]C[C@H](O)CNC(=O)C12CCC[NH+]1CCC2)C(N)=O ZINC001367611358 887409812 /nfs/dbraw/zinc/40/98/12/887409812.db2.gz WHOHARAMUMSQCG-MNOVXSKESA-N 2 0 298.387 -1.445 20 0 CAADRP C[C@H]([NH2+]C[C@@H](O)CNC(=O)C12CCC[NH+]1CCC2)C(N)=O ZINC001367611360 887409894 /nfs/dbraw/zinc/40/98/94/887409894.db2.gz WHOHARAMUMSQCG-WDEREUQCSA-N 2 0 298.387 -1.445 20 0 CAADRP CCC[N@H+](C)CC(=O)NC[C@@H](O)C[NH2+][C@H]1CCNC1=O ZINC001367624530 887413381 /nfs/dbraw/zinc/41/33/81/887413381.db2.gz RALVKZXKMNRRRU-QWRGUYRKSA-N 2 0 286.376 -1.717 20 0 CAADRP CNC(=O)[C@H](C)[NH2+]C[C@@H](O)CNC(=O)C[NH+]1CCCC1 ZINC001367629680 887416059 /nfs/dbraw/zinc/41/60/59/887416059.db2.gz YAANKICPYFNGGF-WDEREUQCSA-N 2 0 286.376 -1.717 20 0 CAADRP NC(=O)C[NH2+]C[C@@H](O)CNC(=O)CC[NH+]1CCCCC1 ZINC001367631633 887416467 /nfs/dbraw/zinc/41/64/67/887416467.db2.gz QKYAGOWPLJMINN-LLVKDONJSA-N 2 0 286.376 -1.586 20 0 CAADRP CNC(=O)[C@@H](C)[NH2+]C[C@@H](O)CNC(=O)C[NH+]1CCCC1 ZINC001367629671 887416893 /nfs/dbraw/zinc/41/68/93/887416893.db2.gz YAANKICPYFNGGF-GHMZBOCLSA-N 2 0 286.376 -1.717 20 0 CAADRP C[C@@H](C[NH2+]CC(=O)NC(N)=O)NC(=O)C1(C[NH+](C)C)CC1 ZINC001367755889 887430016 /nfs/dbraw/zinc/43/00/16/887430016.db2.gz ZNCQSEIUUFWWCN-VIFPVBQESA-N 2 0 299.375 -1.383 20 0 CAADRP CC[C@@H](C(=O)N[C@@H](C)C[NH2+]CC(=O)NC(N)=O)[NH+](C)C ZINC001367756208 887430938 /nfs/dbraw/zinc/43/09/38/887430938.db2.gz BWHRBGMWABZVCI-IUCAKERBSA-N 2 0 287.364 -1.384 20 0 CAADRP C[NH+](C)CCC(=O)N1CCC[C@@H]1C[NH2+]CC(=O)NC(N)=O ZINC001368106544 887452453 /nfs/dbraw/zinc/45/24/53/887452453.db2.gz ICKFGCZOIVYFPN-SNVBAGLBSA-N 2 0 299.375 -1.286 20 0 CAADRP C[N@@H+]1CC[C@H](C(=O)NC[C@@]2(O)CC[NH+](CCCO)C2)C1 ZINC001368291601 887470236 /nfs/dbraw/zinc/47/02/36/887470236.db2.gz WYIMGJNSSIRVRS-JSGCOSHPSA-N 2 0 285.388 -1.127 20 0 CAADRP O=C(C[NH+]1CCCC1)NC[C@@]1(O)CC[N@@H+](CCO)C1 ZINC001368290374 887471245 /nfs/dbraw/zinc/47/12/45/887471245.db2.gz UOPNDYKZNHZYKF-ZDUSSCGKSA-N 2 0 271.361 -1.373 20 0 CAADRP C[NH+]1CCC(C(=O)N2CCO[C@@H](C[NH2+]CC(N)=O)C2)CC1 ZINC001368503296 887491345 /nfs/dbraw/zinc/49/13/45/887491345.db2.gz GCYZLMKCCCQDOR-LBPRGKRZSA-N 2 0 298.387 -1.370 20 0 CAADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCC(O)(C[NH2+]CC(N)=O)CC1 ZINC001368679047 887498267 /nfs/dbraw/zinc/49/82/67/887498267.db2.gz OHNYDXGEZBATPR-NSHDSACASA-N 2 0 298.387 -1.491 20 0 CAADRP C[N@@H+]1CC[C@@H](C(=O)NC2(CO)CC[NH+](CCO)CC2)C1 ZINC001368782070 887499728 /nfs/dbraw/zinc/49/97/28/887499728.db2.gz ZOETVPXTSZOAGA-GFCCVEGCSA-N 2 0 285.388 -1.127 20 0 CAADRP C[C@@H]([NH2+][C@H](CO)CNC(=O)C1([NH+](C)C)CCC1)C(N)=O ZINC001369322619 887539777 /nfs/dbraw/zinc/53/97/77/887539777.db2.gz IUHUONUWBUZJDG-ZJUUUORDSA-N 2 0 286.376 -1.589 20 0 CAADRP C[C@H]([NH2+][C@@H](CO)CNC(=O)C1([NH+](C)C)CCC1)C(N)=O ZINC001369322616 887540903 /nfs/dbraw/zinc/54/09/03/887540903.db2.gz IUHUONUWBUZJDG-VHSXEESVSA-N 2 0 286.376 -1.589 20 0 CAADRP CC[C@@H](C(=O)NC[C@H](CO)[NH2+]CC(=O)NC)[NH+](C)C ZINC001369358518 887554362 /nfs/dbraw/zinc/55/43/62/887554362.db2.gz CJLNDYNIHSHTRW-ZJUUUORDSA-N 2 0 274.365 -1.861 20 0 CAADRP CN(C)C(=O)C[NH2+][C@H](CO)CNC(=O)C[NH+]1CCCC1 ZINC001369383963 887563096 /nfs/dbraw/zinc/56/30/96/887563096.db2.gz OCIKIUKXQASQOM-NSHDSACASA-N 2 0 286.376 -1.763 20 0 CAADRP Cn1cc(C[NH2+][C@@H](CO)CNC(=O)[C@@H]2CC[N@H+](C)C2)cn1 ZINC001369388896 887566082 /nfs/dbraw/zinc/56/60/82/887566082.db2.gz WXLAAHCMPXSATF-CHWSQXEVSA-N 2 0 295.387 -1.062 20 0 CAADRP C[C@@H]1[C@H]([NH2+]CC(=O)NC(N)=O)CCN1C(=O)CC[NH+](C)C ZINC001369391526 887566211 /nfs/dbraw/zinc/56/62/11/887566211.db2.gz MHDAHTRXHQBWMV-NXEZZACHSA-N 2 0 299.375 -1.288 20 0 CAADRP C[C@H](C[NH+]1CCOCC1)C(=O)NC[C@H](CO)[NH2+]CCF ZINC001369390265 887566717 /nfs/dbraw/zinc/56/67/17/887566717.db2.gz ZZGLRBFEDNXCLR-VXGBXAGGSA-N 2 0 291.367 -1.009 20 0 CAADRP CNC(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)C[N@H+](C)C(C)C ZINC001369490849 887576561 /nfs/dbraw/zinc/57/65/61/887576561.db2.gz QNWVSLXIDGEAQR-LLVKDONJSA-N 2 0 288.392 -1.519 20 0 CAADRP C[C@H](O)C[NH2+]C[C@H](O)CN(C)C(=O)C[NH+]1CCCC1 ZINC001369486384 887577972 /nfs/dbraw/zinc/57/79/72/887577972.db2.gz SIRUYMOIKXFPOT-RYUDHWBXSA-N 2 0 273.377 -1.128 20 0 CAADRP C[C@H]([NH2+]C[C@H](O)CN(C)C(=O)C12CC[NH+](CC1)C2)C(N)=O ZINC001369482933 887578381 /nfs/dbraw/zinc/57/83/81/887578381.db2.gz KNZIEBKULRAKEZ-QWRGUYRKSA-N 2 0 298.387 -1.635 20 0 CAADRP C[C@@H]([NH2+]C[C@@H](O)CN(C)C(=O)C12CC[NH+](CC1)C2)C(N)=O ZINC001369482926 887579122 /nfs/dbraw/zinc/57/91/22/887579122.db2.gz KNZIEBKULRAKEZ-GHMZBOCLSA-N 2 0 298.387 -1.635 20 0 CAADRP CNC(=O)C[NH2+]C[C@H](O)CN(C)C(=O)C[N@H+](C)C(C)C ZINC001369490852 887579305 /nfs/dbraw/zinc/57/93/05/887579305.db2.gz QNWVSLXIDGEAQR-NSHDSACASA-N 2 0 288.392 -1.519 20 0 CAADRP C[C@@H]1[C@H](C(=O)N(C)C[C@H](O)C[NH2+]CC(N)=O)CC[N@@H+]1C ZINC001369476185 887579486 /nfs/dbraw/zinc/57/94/86/887579486.db2.gz ZILOPAZLYPCVPR-GMTAPVOTSA-N 2 0 286.376 -1.779 20 0 CAADRP C[N@@H+]1CC[C@H](C(=O)N2CC[C@H]([NH2+]CC(=O)NC(N)=O)C2)C1 ZINC001370408913 887605861 /nfs/dbraw/zinc/60/58/61/887605861.db2.gz PNROHNFLBDHSQH-UWVGGRQHSA-N 2 0 297.359 -1.677 20 0 CAADRP NC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001370409601 887607830 /nfs/dbraw/zinc/60/78/30/887607830.db2.gz VVTOCIIZFWEKGB-JTQLQIEISA-N 2 0 297.359 -1.532 20 0 CAADRP C[C@H]([NH2+][C@H]1C[C@H](NC(=O)CC[NH+](C)C)C1)C(=O)NC(N)=O ZINC001370523751 887612105 /nfs/dbraw/zinc/61/21/05/887612105.db2.gz UXOHRLFFHJNDSM-GUBZILKMSA-N 2 0 299.375 -1.242 20 0 CAADRP C[NH+](C)CCC(=O)N1CC[C@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001371533269 887668956 /nfs/dbraw/zinc/66/89/56/887668956.db2.gz WLCNZYNLKSFVBN-VIFPVBQESA-N 2 0 285.348 -1.677 20 0 CAADRP Cn1nncc1C[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001374592164 887805135 /nfs/dbraw/zinc/80/51/35/887805135.db2.gz UCFAAJOLQQDLIQ-VXGBXAGGSA-N 2 0 296.375 -1.524 20 0 CAADRP Cn1nncc1C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001374592151 887805784 /nfs/dbraw/zinc/80/57/84/887805784.db2.gz UCFAAJOLQQDLIQ-NEPJUHHUSA-N 2 0 296.375 -1.524 20 0 CAADRP C[C@@H](O)C[NH2+]C[C@@H](O)CNC(=O)C1([NH+](C)C)CCC1 ZINC001374619511 887816892 /nfs/dbraw/zinc/81/68/92/887816892.db2.gz YIUGYUZIQYNCDU-GHMZBOCLSA-N 2 0 273.377 -1.082 20 0 CAADRP CNC(=O)C[NH2+]C[C@H](O)CNC(=O)C12CCC[NH+]1CCC2 ZINC001374621085 887817356 /nfs/dbraw/zinc/81/73/56/887817356.db2.gz ARDLKMDIAAUCIH-NSHDSACASA-N 2 0 298.387 -1.573 20 0 CAADRP CN(C)C(=O)C[NH2+]C[C@H](O)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001374631525 887817555 /nfs/dbraw/zinc/81/75/55/887817555.db2.gz CQOARBDSFVBULM-WDEREUQCSA-N 2 0 286.376 -1.765 20 0 CAADRP COC[C@H](O)C[NH2+]C[C@H](O)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001374632265 887819135 /nfs/dbraw/zinc/81/91/35/887819135.db2.gz IXLVTTQAFGWNLJ-QJPTWQEYSA-N 2 0 289.376 -1.845 20 0 CAADRP COC[C@H](O)C[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001374632261 887819434 /nfs/dbraw/zinc/81/94/34/887819434.db2.gz IXLVTTQAFGWNLJ-IJLUTSLNSA-N 2 0 289.376 -1.845 20 0 CAADRP Cn1cc(C[NH2+]C[C@@H](O)CNC(=O)CC[NH+](C)C)cn1 ZINC001374642415 887821015 /nfs/dbraw/zinc/82/10/15/887821015.db2.gz NQNRZDOGQZFBIN-GFCCVEGCSA-N 2 0 283.376 -1.062 20 0 CAADRP CC(C)[C@H](C(=O)NC[C@H](O)C[NH2+]CC(N)=O)[NH+](C)C ZINC001374645939 887822922 /nfs/dbraw/zinc/82/29/22/887822922.db2.gz KQGTWQPSWOERPL-MWLCHTKSSA-N 2 0 274.365 -1.875 20 0 CAADRP CC(C)[C@H](C(=O)NC[C@@H](O)C[NH2+]CC(N)=O)[NH+](C)C ZINC001374645938 887823241 /nfs/dbraw/zinc/82/32/41/887823241.db2.gz KQGTWQPSWOERPL-GXSJLCMTSA-N 2 0 274.365 -1.875 20 0 CAADRP CNC(=O)C[NH2+]C[C@@H](O)CNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001374650592 887824206 /nfs/dbraw/zinc/82/42/06/887824206.db2.gz FIDJMJJOWJAQFG-GHMZBOCLSA-N 2 0 286.376 -1.859 20 0 CAADRP CNC(=O)C[NH2+]C[C@@H](O)CNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001374650606 887825100 /nfs/dbraw/zinc/82/51/00/887825100.db2.gz FIDJMJJOWJAQFG-WDEREUQCSA-N 2 0 286.376 -1.859 20 0 CAADRP CN(C)C(=O)C[NH2+]C[C@H](O)CNC(=O)C[NH+]1CCCC1 ZINC001374686339 887831388 /nfs/dbraw/zinc/83/13/88/887831388.db2.gz UJYSVHKGICLRJX-NSHDSACASA-N 2 0 286.376 -1.763 20 0 CAADRP C[C@@H](C[NH2+]CC(=O)NC(N)=O)NC(=O)C12CC[NH+](CC1)C2 ZINC001374961910 887854938 /nfs/dbraw/zinc/85/49/38/887854938.db2.gz NKANZSWPMNKXOA-VIFPVBQESA-N 2 0 297.359 -1.629 20 0 CAADRP C[C@@H]([NH2+]C[C@H](C)NC(=O)CC[NH+](C)C)C(=O)NC(N)=O ZINC001374930096 887855651 /nfs/dbraw/zinc/85/56/51/887855651.db2.gz HKWSRFQLHORBST-DTWKUNHWSA-N 2 0 287.364 -1.384 20 0 CAADRP C[C@@H](C[NH2+][C@@H](C)C(=O)NC(N)=O)NC(=O)CC[NH+](C)C ZINC001374930098 887856782 /nfs/dbraw/zinc/85/67/82/887856782.db2.gz HKWSRFQLHORBST-IUCAKERBSA-N 2 0 287.364 -1.384 20 0 CAADRP C[N@@H+]1CCC[C@@H]1C(=O)NCC1([NH2+]CC(=O)NC(N)=O)CC1 ZINC001375402021 887874472 /nfs/dbraw/zinc/87/44/72/887874472.db2.gz HAXUQPWNFPNOOD-SECBINFHSA-N 2 0 297.359 -1.486 20 0 CAADRP C[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CC(=O)NC(N)=O)CC1 ZINC001375402102 887875554 /nfs/dbraw/zinc/87/55/54/887875554.db2.gz HAXUQPWNFPNOOD-VIFPVBQESA-N 2 0 297.359 -1.486 20 0 CAADRP C[N@@H+]1CCC[C@H]1C(=O)NC[C@]1(O)CC[NH+](CCO)C1 ZINC001376005730 887896927 /nfs/dbraw/zinc/89/69/27/887896927.db2.gz NUGWXRLRWCFOPF-WCQYABFASA-N 2 0 271.361 -1.374 20 0 CAADRP C[N@@H+]1CC[C@H](C(=O)NC[C@]2(O)CC[NH+](CCO)C2)C1 ZINC001376100074 887902790 /nfs/dbraw/zinc/90/27/90/887902790.db2.gz SOJQLBGZWUBYBZ-WCQYABFASA-N 2 0 271.361 -1.517 20 0 CAADRP C[N@@H+]1CC[C@@H](C(=O)NC[C@@]2(O)CC[NH+](CCO)C2)C1 ZINC001376100081 887902864 /nfs/dbraw/zinc/90/28/64/887902864.db2.gz SOJQLBGZWUBYBZ-YPMHNXCESA-N 2 0 271.361 -1.517 20 0 CAADRP C[N@@H+]1CC[C@H](C(=O)NC[C@@]2(O)CC[NH+](CCO)C2)C1 ZINC001376100060 887903128 /nfs/dbraw/zinc/90/31/28/887903128.db2.gz SOJQLBGZWUBYBZ-AAEUAGOBSA-N 2 0 271.361 -1.517 20 0 CAADRP CN(C)C(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CN(C)CCO2)C1 ZINC001376321397 887922472 /nfs/dbraw/zinc/92/24/72/887922472.db2.gz RWTDPGICBJXXJW-RYUDHWBXSA-N 2 0 298.387 -1.404 20 0 CAADRP CNC(=O)NC(=O)C[NH2+][C@H]1C[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001376390443 887924198 /nfs/dbraw/zinc/92/41/98/887924198.db2.gz PWWHCCSBYCSZPM-MGCOHNPYSA-N 2 0 299.375 -1.370 20 0 CAADRP NC(=O)NC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001376505057 887937687 /nfs/dbraw/zinc/93/76/87/887937687.db2.gz WHOXEEGCAFWZCZ-AOOOYVTPSA-N 2 0 297.359 -1.486 20 0 CAADRP C[C@H](CNC(=O)[C@@H](C)C[NH+]1CCOCC1)[NH2+]CC(N)=O ZINC001376861346 887964004 /nfs/dbraw/zinc/96/40/04/887964004.db2.gz CVKJRAFTSHZUIB-WDEREUQCSA-N 2 0 286.376 -1.466 20 0 CAADRP C[NH+](C)CCC(=O)N1CCO[C@H](C[NH2+][C@H]2CCNC2=O)C1 ZINC001376843411 887964437 /nfs/dbraw/zinc/96/44/37/887964437.db2.gz MPGQCFQHYSFQOS-NEPJUHHUSA-N 2 0 298.387 -1.356 20 0 CAADRP C[NH+](C)CCC(=O)N1CC[C@@H](C[NH2+]CC(=O)NC(N)=O)C1 ZINC001376941060 887970679 /nfs/dbraw/zinc/97/06/79/887970679.db2.gz MEUGMKRJGXEMMM-JTQLQIEISA-N 2 0 299.375 -1.429 20 0 CAADRP C[NH+](C)CCC(=O)N1CC[C@H](C[NH2+]CC(=O)NC(N)=O)C1 ZINC001376941065 887970972 /nfs/dbraw/zinc/97/09/72/887970972.db2.gz MEUGMKRJGXEMMM-SNVBAGLBSA-N 2 0 299.375 -1.429 20 0 CAADRP COC[C@H](O)C[N@H+](C)CCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001377259923 887987126 /nfs/dbraw/zinc/98/71/26/887987126.db2.gz FQTODKCVTOEKFS-VXGBXAGGSA-N 2 0 273.377 -1.007 20 0 CAADRP C[N@@H+]1CC[C@H](C(=O)N[C@H]2CCN(CC(=O)NC(N)=O)C2)C1 ZINC001378082908 888034466 /nfs/dbraw/zinc/03/44/66/888034466.db2.gz LFUKJJUAYLRFMX-UWVGGRQHSA-N 2 0 297.359 -1.677 20 0 CAADRP CN(C)C(=O)C[NH2+]C[C@@H](O)CNC(=O)CC[NH+](C)C ZINC001379238429 888112539 /nfs/dbraw/zinc/11/25/39/888112539.db2.gz KZPLBYMKXDHXPW-SNVBAGLBSA-N 2 0 274.365 -1.907 20 0 CAADRP Cn1nnnc1CNC[C@H](O)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001379191996 888096555 /nfs/dbraw/zinc/09/65/55/888096555.db2.gz UWWOWIRYSAHRHP-VHSXEESVSA-N 2 0 297.363 -2.129 20 0 CAADRP CC[C@@H](C(=O)NC[C@H](O)C[NH2+]Cc1cnnn1C)[NH+](C)C ZINC001379235859 888107595 /nfs/dbraw/zinc/10/75/95/888107595.db2.gz AHBFWWCEVMRGGD-NEPJUHHUSA-N 2 0 298.391 -1.278 20 0 CAADRP CC[C@@H](C(=O)NC[C@@H](O)C[NH2+]Cc1cnnn1C)[NH+](C)C ZINC001379235864 888109193 /nfs/dbraw/zinc/10/91/93/888109193.db2.gz AHBFWWCEVMRGGD-RYUDHWBXSA-N 2 0 298.391 -1.278 20 0 CAADRP CN1CC[C@H]([NH2+]C[C@H](O)CNC(=O)CC[NH+](C)C)C1=O ZINC001379239174 888110770 /nfs/dbraw/zinc/11/07/70/888110770.db2.gz GJGZAKZXKUGQKM-QWRGUYRKSA-N 2 0 286.376 -1.765 20 0 CAADRP Cn1nncc1C[NH2+]C[C@H](O)CNC(=O)CC[NH+](C)C ZINC001379239602 888111307 /nfs/dbraw/zinc/11/13/07/888111307.db2.gz OAZYPKIDPSLEOB-NSHDSACASA-N 2 0 284.364 -1.667 20 0 CAADRP CN1CC[C@@H]([NH2+]C[C@H](O)CNC(=O)CC[NH+](C)C)C1=O ZINC001379239179 888112474 /nfs/dbraw/zinc/11/24/74/888112474.db2.gz GJGZAKZXKUGQKM-WDEREUQCSA-N 2 0 286.376 -1.765 20 0 CAADRP CC[C@H](C(=O)NC[C@@H](O)C[NH2+]CC(=O)NC)[NH+](C)C ZINC001379259106 888114382 /nfs/dbraw/zinc/11/43/82/888114382.db2.gz OAIPWCZTAILTNT-VHSXEESVSA-N 2 0 274.365 -1.861 20 0 CAADRP CC[C@@H](C(=O)NC[C@@H](O)C[NH2+]CC(=O)NC)[NH+](C)C ZINC001379259104 888114664 /nfs/dbraw/zinc/11/46/64/888114664.db2.gz OAIPWCZTAILTNT-UWVGGRQHSA-N 2 0 274.365 -1.861 20 0 CAADRP C[C@H](C[NH2+]CC(=O)NC(N)=O)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001379383586 888133658 /nfs/dbraw/zinc/13/36/58/888133658.db2.gz BFTNUHZCYFPVAM-NXEZZACHSA-N 2 0 299.375 -1.240 20 0 CAADRP CC[C@@H]1[C@@H](C(=O)NC[C@H](CO)[NH2+]CC(N)=O)CC[N@@H+]1C ZINC001379398913 888137751 /nfs/dbraw/zinc/13/77/51/888137751.db2.gz QNDBOYJHONASIH-OUAUKWLOSA-N 2 0 286.376 -1.731 20 0 CAADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](CO)[NH2+]CCO ZINC001379413659 888140330 /nfs/dbraw/zinc/14/03/30/888140330.db2.gz QDTSDCWWNHZJSF-NWDGAFQWSA-N 2 0 273.377 -1.080 20 0 CAADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](CO)[NH2+]CCO ZINC001379413663 888140446 /nfs/dbraw/zinc/14/04/46/888140446.db2.gz QDTSDCWWNHZJSF-VXGBXAGGSA-N 2 0 273.377 -1.080 20 0 CAADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](CO)[NH2+]CCO ZINC001379409755 888140535 /nfs/dbraw/zinc/14/05/35/888140535.db2.gz XFYGRVIEFLBZJM-RYUDHWBXSA-N 2 0 273.377 -1.082 20 0 CAADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](CO)[NH2+]CCO ZINC001379409751 888140771 /nfs/dbraw/zinc/14/07/71/888140771.db2.gz XFYGRVIEFLBZJM-NWDGAFQWSA-N 2 0 273.377 -1.082 20 0 CAADRP C[C@@H](O)C[NH2+][C@H](CO)CNC(=O)C1([NH+](C)C)CCC1 ZINC001379412893 888140780 /nfs/dbraw/zinc/14/07/80/888140780.db2.gz QOQCKIOKILLPBZ-MNOVXSKESA-N 2 0 273.377 -1.082 20 0 CAADRP O=C(C[NH+]1CCCC1)NC[C@@H](CO)[NH2+]CC(=O)N1CCC1 ZINC001379526934 888159048 /nfs/dbraw/zinc/15/90/48/888159048.db2.gz LYEZLVBJAAJWCK-LBPRGKRZSA-N 2 0 298.387 -1.619 20 0 CAADRP C[N@@H+]1CC[C@@H](C(=O)NC[C@H](CO)[NH2+]CC(=O)NC2CC2)C1 ZINC001379524887 888160864 /nfs/dbraw/zinc/16/08/64/888160864.db2.gz GKKRJYYUJPUGFQ-ZYHUDNBSSA-N 2 0 298.387 -1.717 20 0 CAADRP C[C@@H](C[NH2+]CC(N)=O)NC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001379598285 888166034 /nfs/dbraw/zinc/16/60/34/888166034.db2.gz KMAZLQDQOQGXSA-QWRGUYRKSA-N 2 0 286.376 -1.466 20 0 CAADRP C[C@@H](C[NH+]1CCOCC1)C(=O)NCC1([NH2+]CC(N)=O)CC1 ZINC001380167717 888196297 /nfs/dbraw/zinc/19/62/97/888196297.db2.gz DLNQQRLCSJGPGL-NSHDSACASA-N 2 0 298.387 -1.322 20 0 CAADRP C[C@H](C[NH+]1CCOCC1)C(=O)NCC1([NH2+]CC(N)=O)CC1 ZINC001380167715 888197902 /nfs/dbraw/zinc/19/79/02/888197902.db2.gz DLNQQRLCSJGPGL-LLVKDONJSA-N 2 0 298.387 -1.322 20 0 CAADRP C[C@@H](O)C[N@@H+]1CC[C@@](O)(CNC(=O)CC[NH+](C)C)C1 ZINC001380553005 888208724 /nfs/dbraw/zinc/20/87/24/888208724.db2.gz MURUQAWVPPBRHI-DGCLKSJQSA-N 2 0 273.377 -1.128 20 0 CAADRP C[C@H](O)C[N@@H+]1CC[C@@](O)(CNC(=O)CC[NH+](C)C)C1 ZINC001380553006 888209108 /nfs/dbraw/zinc/20/91/08/888209108.db2.gz MURUQAWVPPBRHI-WCQYABFASA-N 2 0 273.377 -1.128 20 0 CAADRP C[NH+](C)CCCC(=O)N1CCO[C@H](C[NH2+]CC(N)=O)C1 ZINC001380921914 888234838 /nfs/dbraw/zinc/23/48/38/888234838.db2.gz WGEJJBCEJJGCCA-LLVKDONJSA-N 2 0 286.376 -1.370 20 0 CAADRP C[N@@H+]1CCC[C@@H]1C(=O)NC1(C[NH2+]CC(N)=O)CCOCC1 ZINC001381061977 888246222 /nfs/dbraw/zinc/24/62/22/888246222.db2.gz IVAIUXDFQHQIKE-LLVKDONJSA-N 2 0 298.387 -1.179 20 0 CAADRP C[C@@H](CCNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]CC(=O)NC(N)=O ZINC001381182414 888249109 /nfs/dbraw/zinc/24/91/09/888249109.db2.gz UGKKWNDWMQYDTR-UWVGGRQHSA-N 2 0 299.375 -1.240 20 0 CAADRP CN(C)C(=O)C[NH2+][C@H](CO)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001382184207 888288839 /nfs/dbraw/zinc/28/88/39/888288839.db2.gz NJGHVLHDYPIHFT-QWRGUYRKSA-N 2 0 286.376 -1.765 20 0 CAADRP C[NH+](C)CCC(=O)NC[C@H](CO)[NH2+][C@H]1CCCNC1=O ZINC001382235702 888307843 /nfs/dbraw/zinc/30/78/43/888307843.db2.gz NKEMTKRYUIYDJX-MNOVXSKESA-N 2 0 286.376 -1.717 20 0 CAADRP C[N@@H+]1CC[C@H](C(=O)NC[C@@H](CO)[NH2+]CCn2cncn2)C1 ZINC001382274204 888323273 /nfs/dbraw/zinc/32/32/73/888323273.db2.gz NZCDIMVKETWADV-RYUDHWBXSA-N 2 0 296.375 -1.704 20 0 CAADRP C[N@@H+]1CC[C@@H](C(=O)NC[C@H](CO)[NH2+]CCn2cncn2)C1 ZINC001382274207 888324054 /nfs/dbraw/zinc/32/40/54/888324054.db2.gz NZCDIMVKETWADV-VXGBXAGGSA-N 2 0 296.375 -1.704 20 0 CAADRP CN(C[C@H](O)C[N@H+](C)CCO)C(=O)[C@H]1CCC[NH+]1C ZINC001382470372 888359978 /nfs/dbraw/zinc/35/99/78/888359978.db2.gz DNVPJHKUCHUBOU-VXGBXAGGSA-N 2 0 273.377 -1.176 20 0 CAADRP C[NH+](C)CCCC(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001389996188 888570654 /nfs/dbraw/zinc/57/06/54/888570654.db2.gz YIDVIRBTDAEAMP-AOOOYVTPSA-N 2 0 299.375 -1.240 20 0 CAADRP C[C@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)[NH2+]CC(=O)NC(N)=O ZINC001390501181 888584602 /nfs/dbraw/zinc/58/46/02/888584602.db2.gz ALGNNFIYIJCEFX-NXEZZACHSA-N 2 0 299.375 -1.383 20 0 CAADRP C[N@H+](CC(=O)NC[C@H](O)C[NH2+]CC(N)=O)C1CCC1 ZINC001392371969 888687346 /nfs/dbraw/zinc/68/73/46/888687346.db2.gz GHQRXLLWVDQYSG-SNVBAGLBSA-N 2 0 272.349 -1.977 20 0 CAADRP CNC(=O)C[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001392384983 888690693 /nfs/dbraw/zinc/69/06/93/888690693.db2.gz IXQJDHVCDREHLB-QWRGUYRKSA-N 2 0 286.376 -1.717 20 0 CAADRP CC(C)[C@@H](C(=O)NC[C@@H](O)C[NH2+]CC(N)=O)[NH+](C)C ZINC001392421068 888701864 /nfs/dbraw/zinc/70/18/64/888701864.db2.gz KQGTWQPSWOERPL-ONGXEEELSA-N 2 0 274.365 -1.875 20 0 CAADRP CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)C12CC[NH+](CC1)C2 ZINC001392426153 888705686 /nfs/dbraw/zinc/70/56/86/888705686.db2.gz RAQBFMHSHKDXJU-NSHDSACASA-N 2 0 298.387 -1.715 20 0 CAADRP CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)C12CC[NH+](CC1)C2 ZINC001392426150 888706193 /nfs/dbraw/zinc/70/61/93/888706193.db2.gz RAQBFMHSHKDXJU-LLVKDONJSA-N 2 0 298.387 -1.715 20 0 CAADRP O=C(C[NH+]1CCCC1)NC[C@@H](O)C[NH2+][C@@H]1CCNC1=O ZINC001392428058 888706407 /nfs/dbraw/zinc/70/64/07/888706407.db2.gz PJZVBIBUYPJAJW-WDEREUQCSA-N 2 0 284.360 -1.963 20 0 CAADRP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H](O)C[NH2+]CC(N)=O ZINC001392434373 888706476 /nfs/dbraw/zinc/70/64/76/888706476.db2.gz XGFVXBBNSFQHSJ-QWRGUYRKSA-N 2 0 286.376 -1.587 20 0 CAADRP O=C(NC[C@@H](O)C[NH2+][C@@H]1CCNC1=O)C12CC[NH+](CC1)C2 ZINC001392422404 888707110 /nfs/dbraw/zinc/70/71/10/888707110.db2.gz KHTHKQPNBJLYBZ-WDEREUQCSA-N 2 0 296.371 -1.963 20 0 CAADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H](O)C[NH2+]CC(N)=O ZINC001392434369 888707161 /nfs/dbraw/zinc/70/71/61/888707161.db2.gz XGFVXBBNSFQHSJ-GHMZBOCLSA-N 2 0 286.376 -1.587 20 0 CAADRP O=C(C[NH+]1CCCC1)NC[C@H](O)C[NH2+][C@H]1CCNC1=O ZINC001392428055 888708097 /nfs/dbraw/zinc/70/80/97/888708097.db2.gz PJZVBIBUYPJAJW-MNOVXSKESA-N 2 0 284.360 -1.963 20 0 CAADRP CC[C@@H](C(=O)NC[C@@]1(O)CC[N@H+](CCO)C1)[NH+](C)C ZINC001393284900 888771803 /nfs/dbraw/zinc/77/18/03/888771803.db2.gz ONSNNKMJYXAYKL-AAEUAGOBSA-N 2 0 273.377 -1.128 20 0 CAADRP CC[C@@H](C(=O)NC[C@]1(O)CC[N@H+](CCO)C1)[NH+](C)C ZINC001393284906 888772404 /nfs/dbraw/zinc/77/24/04/888772404.db2.gz ONSNNKMJYXAYKL-WCQYABFASA-N 2 0 273.377 -1.128 20 0 CAADRP C[N@H+](CC(=O)NC[C@H](CO)[NH2+][C@H]1CCNC1=O)C1CCC1 ZINC001394601943 888855446 /nfs/dbraw/zinc/85/54/46/888855446.db2.gz GFZCHGDTAKMTRO-PWSUYJOCSA-N 2 0 298.387 -1.574 20 0 CAADRP C[N@H+](CC(=O)NC[C@@H](CO)[NH2+][C@@H]1CCNC1=O)C1CCC1 ZINC001394601939 888856247 /nfs/dbraw/zinc/85/62/47/888856247.db2.gz GFZCHGDTAKMTRO-CMPLNLGQSA-N 2 0 298.387 -1.574 20 0 CAADRP C[NH+](C)C1(C(=O)NC[C@H](CO)[NH2+][C@H]2CCNC2=O)CCC1 ZINC001394613792 888860231 /nfs/dbraw/zinc/86/02/31/888860231.db2.gz VSLPWSMVBOLTQX-MNOVXSKESA-N 2 0 298.387 -1.574 20 0 CAADRP C[C@H](O)C[NH2+][C@H](CO)CNC(=O)C1(C[NH+](C)C)CC1 ZINC001394621823 888866515 /nfs/dbraw/zinc/86/65/15/888866515.db2.gz NVYMTTNZAOIORV-QWRGUYRKSA-N 2 0 273.377 -1.224 20 0 CAADRP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H](CO)[NH2+]CCO ZINC001394642674 888869521 /nfs/dbraw/zinc/86/95/21/888869521.db2.gz CXMTVBQDDWGJBA-NEPJUHHUSA-N 2 0 273.377 -1.080 20 0 CAADRP O=C(CC[NH+]1CCCCC1)NC[C@@H](CO)[NH2+]CCO ZINC001394642087 888869942 /nfs/dbraw/zinc/86/99/42/888869942.db2.gz BDTOYGHYLOBURS-LBPRGKRZSA-N 2 0 273.377 -1.079 20 0 CAADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H](CO)[NH2+]CCO ZINC001394642677 888871006 /nfs/dbraw/zinc/87/10/06/888871006.db2.gz CXMTVBQDDWGJBA-NWDGAFQWSA-N 2 0 273.377 -1.080 20 0 CAADRP Cn1nccc1C[NH2+][C@@H](CO)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001394658520 888877784 /nfs/dbraw/zinc/87/77/84/888877784.db2.gz XMEDESRLRQEKNT-VXGBXAGGSA-N 2 0 295.387 -1.062 20 0 CAADRP CN(C[C@@H](O)C[NH2+]CC(N)=O)C(=O)C1(C[NH+](C)C)CC1 ZINC001394748332 888886823 /nfs/dbraw/zinc/88/68/23/888886823.db2.gz SHKBNNNEVVEDSM-JTQLQIEISA-N 2 0 286.376 -1.778 20 0 CAADRP CN(C[C@@H](O)C[NH2+]CC(N)=O)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001394748722 888887366 /nfs/dbraw/zinc/88/73/66/888887366.db2.gz XDECTCNXYLJFPR-QWRGUYRKSA-N 2 0 286.376 -1.635 20 0 CAADRP CC[C@H](C(=O)N(C)C[C@H](O)C[NH2+]CC(N)=O)[NH+](C)C ZINC001394742563 888887684 /nfs/dbraw/zinc/88/76/84/888887684.db2.gz LEGZUMMJXMSGAI-NXEZZACHSA-N 2 0 274.365 -1.779 20 0 CAADRP CN(C[C@H](O)C[NH2+]CC(N)=O)C(=O)C[N@H+](C)C1CCC1 ZINC001394743505 888887734 /nfs/dbraw/zinc/88/77/34/888887734.db2.gz RWCBZMDPQPPJRJ-LLVKDONJSA-N 2 0 286.376 -1.635 20 0 CAADRP C[C@H]([NH2+]C[C@H](O)CN(C)C(=O)C[NH+]1CCCC1)C(N)=O ZINC001394753861 888893386 /nfs/dbraw/zinc/89/33/86/888893386.db2.gz LCYYZBJMHUOIHW-QWRGUYRKSA-N 2 0 286.376 -1.635 20 0 CAADRP C[C@H]([NH2+]C[C@H](O)CN(C)C(=O)CC[NH+](C)C)C(N)=O ZINC001394762703 888893847 /nfs/dbraw/zinc/89/38/47/888893847.db2.gz QJLJXKIEZITAFU-UWVGGRQHSA-N 2 0 274.365 -1.779 20 0 CAADRP C[NH+](C)CCC(=O)N[C@H]1C[C@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001398553290 889001389 /nfs/dbraw/zinc/00/13/89/889001389.db2.gz KHNQSSTWRAQHSU-KYZUINATSA-N 2 0 285.348 -1.630 20 0 CAADRP C[C@H](CNC(=O)C[NH+]1CCCC1)[NH2+][C@H](C)C(=O)NC(N)=O ZINC001399101868 889029899 /nfs/dbraw/zinc/02/98/99/889029899.db2.gz GMQAECZDSAAYNU-NXEZZACHSA-N 2 0 299.375 -1.240 20 0 CAADRP C[C@@H](C[NH2+]CC(=O)NC(N)=O)N(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001401204017 889132575 /nfs/dbraw/zinc/13/25/75/889132575.db2.gz QGKIWLAWQNJFDZ-UWVGGRQHSA-N 2 0 299.375 -1.288 20 0 CAADRP Cn1ccnc1C[NH2+]C[C@H](O)CNC(=O)CC[NH+](C)C ZINC001401554836 889156267 /nfs/dbraw/zinc/15/62/67/889156267.db2.gz LEPNCGHBAOVIQB-NSHDSACASA-N 2 0 283.376 -1.062 20 0 CAADRP Cn1ccnc1C[NH2+]C[C@@H](O)CNC(=O)CC[NH+](C)C ZINC001401554472 889158249 /nfs/dbraw/zinc/15/82/49/889158249.db2.gz LEPNCGHBAOVIQB-LLVKDONJSA-N 2 0 283.376 -1.062 20 0 CAADRP C[NH+](C)CCC(=O)NC[C@@H](O)C[NH2+][C@@H]1CCNC1=O ZINC001401568171 889159870 /nfs/dbraw/zinc/15/98/70/889159870.db2.gz ZXJQEEJCAONSLZ-VHSXEESVSA-N 2 0 272.349 -2.107 20 0 CAADRP C[C@H]([NH2+]C[C@@H](O)CNC(=O)C1(C[NH+](C)C)CC1)C(N)=O ZINC001401567117 889160896 /nfs/dbraw/zinc/16/08/96/889160896.db2.gz KHEVDIMRTULPSX-VHSXEESVSA-N 2 0 286.376 -1.731 20 0 CAADRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](O)C[NH2+]CC(=O)N1CCC1 ZINC001401570662 889161889 /nfs/dbraw/zinc/16/18/89/889161889.db2.gz ZSLIYUAZSJZPER-NWDGAFQWSA-N 2 0 298.387 -1.620 20 0 CAADRP C[C@H]([NH2+]C[C@H](O)CNC(=O)C1(C[NH+](C)C)CC1)C(N)=O ZINC001401567110 889162233 /nfs/dbraw/zinc/16/22/33/889162233.db2.gz KHEVDIMRTULPSX-UWVGGRQHSA-N 2 0 286.376 -1.731 20 0 CAADRP C[N@@H+]1CC[C@H](C(=O)NCC2([NH2+]CC(=O)NC(N)=O)CC2)C1 ZINC001401987065 889197843 /nfs/dbraw/zinc/19/78/43/889197843.db2.gz VAPIJBGLCYNYTE-VIFPVBQESA-N 2 0 297.359 -1.629 20 0 CAADRP C[C@H](CCNC(=O)C[NH+]1CCCC1)[NH2+]CC(=O)NC(N)=O ZINC001403460119 889309532 /nfs/dbraw/zinc/30/95/32/889309532.db2.gz BVQDLJWUOMJNSA-SNVBAGLBSA-N 2 0 299.375 -1.239 20 0 CAADRP COC[C@@H](O)C[NH2+][C@H](CO)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001403693575 889347926 /nfs/dbraw/zinc/34/79/26/889347926.db2.gz ARDDIJXTAAHXEI-SDDRHHMPSA-N 2 0 289.376 -1.845 20 0 CAADRP CNC(=O)C[NH2+][C@H](CO)CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001403719752 889356241 /nfs/dbraw/zinc/35/62/41/889356241.db2.gz HCVHWIXUWQDHBL-CMPLNLGQSA-N 2 0 288.392 -1.615 20 0 CAADRP CNC(=O)C[NH2+][C@@H](CO)CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001403719778 889358452 /nfs/dbraw/zinc/35/84/52/889358452.db2.gz HCVHWIXUWQDHBL-ZYHUDNBSSA-N 2 0 288.392 -1.615 20 0 CAADRP Cn1cncc1C[NH2+][C@@H](CO)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001403747015 889363751 /nfs/dbraw/zinc/36/37/51/889363751.db2.gz NQWUYBNZQPMDJR-NWDGAFQWSA-N 2 0 295.387 -1.062 20 0 CAADRP CN(C[C@H](O)C[NH2+]CC(N)=O)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001403848330 889374421 /nfs/dbraw/zinc/37/44/21/889374421.db2.gz VUFCURHKVQVXRF-VXGBXAGGSA-N 2 0 298.387 -1.778 20 0 CAADRP CN(C[C@H](O)C[NH2+]CC(N)=O)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001403848313 889375125 /nfs/dbraw/zinc/37/51/25/889375125.db2.gz VUFCURHKVQVXRF-NEPJUHHUSA-N 2 0 298.387 -1.778 20 0 CAADRP CN(C[C@@H](O)C[NH2+]CC(N)=O)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001403874973 889378665 /nfs/dbraw/zinc/37/86/65/889378665.db2.gz HZPVVWMWSHOBCJ-ZJUUUORDSA-N 2 0 272.349 -2.168 20 0 CAADRP CC[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]CC(=O)NC(N)=O ZINC001405197897 889431130 /nfs/dbraw/zinc/43/11/30/889431130.db2.gz COFIDNLXXYHKPW-UWVGGRQHSA-N 2 0 299.375 -1.240 20 0 CAADRP CC[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C)[NH2+]CC(=O)NC(N)=O ZINC001405197898 889431595 /nfs/dbraw/zinc/43/15/95/889431595.db2.gz COFIDNLXXYHKPW-VHSXEESVSA-N 2 0 299.375 -1.240 20 0 CAADRP CNC(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001406214403 889485786 /nfs/dbraw/zinc/48/57/86/889485786.db2.gz LFLLCOBBCKXWBN-GMTAPVOTSA-N 2 0 286.376 -1.861 20 0 CAADRP C[N@H+](CC(=O)NC[C@@H](O)C[NH2+][C@H]1CCNC1=O)C1CCC1 ZINC001406246400 889495218 /nfs/dbraw/zinc/49/52/18/889495218.db2.gz PHIFGPXYBKQLRD-RYUDHWBXSA-N 2 0 298.387 -1.574 20 0 CAADRP C[N@H+](CC(=O)NC[C@H](O)C[NH2+][C@@H]1CCNC1=O)C1CCC1 ZINC001406246423 889496224 /nfs/dbraw/zinc/49/62/24/889496224.db2.gz PHIFGPXYBKQLRD-VXGBXAGGSA-N 2 0 298.387 -1.574 20 0 CAADRP C[N@@H+]1CCC[C@@H]1CCC(=O)NC[C@@H](O)C[NH2+]CC(N)=O ZINC001406253203 889499580 /nfs/dbraw/zinc/49/95/80/889499580.db2.gz XEWHXHOODCZQJF-MNOVXSKESA-N 2 0 286.376 -1.587 20 0 CAADRP C[N@@H+]1CCC[C@H]1CCC(=O)NC[C@@H](O)C[NH2+]CC(N)=O ZINC001406254278 889499658 /nfs/dbraw/zinc/49/96/58/889499658.db2.gz XEWHXHOODCZQJF-QWRGUYRKSA-N 2 0 286.376 -1.587 20 0 CAADRP C[NH+](C)CC1(C(=O)NC[C@H](O)C[NH2+]CC(N)=O)CC1 ZINC001406261892 889500995 /nfs/dbraw/zinc/50/09/95/889500995.db2.gz AOKLFSZXRXSMBF-SECBINFHSA-N 2 0 272.349 -2.120 20 0 CAADRP C[NH+]1CCC(C(=O)NC[C@H](O)C[NH2+][C@@H]2CCNC2=O)CC1 ZINC001406262656 889502285 /nfs/dbraw/zinc/50/22/85/889502285.db2.gz XCQTUZYUBNEJHN-VXGBXAGGSA-N 2 0 298.387 -1.717 20 0 CAADRP C[NH+]1CCC(C(=O)NC[C@@H](O)C[NH2+][C@H]2CCNC2=O)CC1 ZINC001406262647 889503646 /nfs/dbraw/zinc/50/36/46/889503646.db2.gz XCQTUZYUBNEJHN-RYUDHWBXSA-N 2 0 298.387 -1.717 20 0 CAADRP Cn1cc(C[NH2+]C[C@@H](O)CNC(=O)[C@H]2CC[N@H+](C)C2)cn1 ZINC001406275516 889507266 /nfs/dbraw/zinc/50/72/66/889507266.db2.gz CGDVUQVGHCGSCZ-QWHCGFSZSA-N 2 0 295.387 -1.062 20 0 CAADRP C[C@@H](C[NH2+]CC(=O)NC(N)=O)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001406519005 889526613 /nfs/dbraw/zinc/52/66/13/889526613.db2.gz QLUXDXXYSKWPHO-DTWKUNHWSA-N 2 0 285.348 -1.630 20 0 CAADRP CCC[N@H+](C)CC(=O)N[C@@H](C)C[NH2+]CC(=O)NC(N)=O ZINC001406548070 889528863 /nfs/dbraw/zinc/52/88/63/889528863.db2.gz XACPDSYBDJLYML-VIFPVBQESA-N 2 0 287.364 -1.383 20 0 CAADRP O=C(NC[C@]1(O)CC[N@@H+](CCO)C1)C12CC[NH+](CC1)C2 ZINC001407373909 889564177 /nfs/dbraw/zinc/56/41/77/889564177.db2.gz QCDJAQQNIHYXCY-CQSZACIVSA-N 2 0 283.372 -1.373 20 0 CAADRP NC(=O)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)C[NH+]3CCCC3)[C@@H]2C1 ZINC001410167690 889665294 /nfs/dbraw/zinc/66/52/94/889665294.db2.gz YNPSSTZZVBIOGX-CNDDSTCGSA-N 2 0 280.372 -1.139 20 0 CAADRP CNC(=O)C[NH2+][C@@H](CO)CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001410657672 889694177 /nfs/dbraw/zinc/69/41/77/889694177.db2.gz NMQGVTLCEGGGNW-NEPJUHHUSA-N 2 0 298.387 -1.859 20 0 CAADRP C[C@H](O)C[NH2+][C@@H](CO)CNC(=O)C[N@H+](C)C1CCC1 ZINC001410646817 889695399 /nfs/dbraw/zinc/69/53/99/889695399.db2.gz DEHFTWRPICUBSO-WDEREUQCSA-N 2 0 273.377 -1.082 20 0 CAADRP CNC(=O)C[NH2+][C@@H](CO)CNC(=O)C[N@H+](C)C1CCC1 ZINC001410662759 889698615 /nfs/dbraw/zinc/69/86/15/889698615.db2.gz UTUJYMGIUIJIOD-SNVBAGLBSA-N 2 0 286.376 -1.717 20 0 CAADRP CNC(=O)C[NH2+][C@H](CO)CNC(=O)C[N@H+](C)C1CCC1 ZINC001410662754 889699372 /nfs/dbraw/zinc/69/93/72/889699372.db2.gz UTUJYMGIUIJIOD-JTQLQIEISA-N 2 0 286.376 -1.717 20 0 CAADRP CN(C)C(=O)C[NH2+][C@H](CO)CNC(=O)C12CC[NH+](CC1)C2 ZINC001410754485 889710326 /nfs/dbraw/zinc/71/03/26/889710326.db2.gz OKHWVDZKHOPYFE-NSHDSACASA-N 2 0 298.387 -1.763 20 0 CAADRP CNC(=O)C[NH2+][C@H](CO)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001410783327 889713334 /nfs/dbraw/zinc/71/33/34/889713334.db2.gz ICBZCGVTEFXRAG-ZJUUUORDSA-N 2 0 272.349 -2.249 20 0 CAADRP CCNC(=O)C[NH2+][C@H](CO)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001410780324 889714722 /nfs/dbraw/zinc/71/47/22/889714722.db2.gz DXXFTNGCQPGMJY-MNOVXSKESA-N 2 0 286.376 -1.859 20 0 CAADRP CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001410780323 889715417 /nfs/dbraw/zinc/71/54/17/889715417.db2.gz DXXFTNGCQPGMJY-GHMZBOCLSA-N 2 0 286.376 -1.859 20 0 CAADRP CNC(=O)C[NH2+][C@H](CO)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001410783314 889715541 /nfs/dbraw/zinc/71/55/41/889715541.db2.gz ICBZCGVTEFXRAG-UWVGGRQHSA-N 2 0 272.349 -2.249 20 0 CAADRP C[C@@H]1C[C@H]([NH2+]CC(=O)NC(N)=O)CN1C(=O)CC[NH+](C)C ZINC001410844097 889720857 /nfs/dbraw/zinc/72/08/57/889720857.db2.gz CYZKHMMERGWWGE-ZJUUUORDSA-N 2 0 299.375 -1.288 20 0 CAADRP CN(C[C@H](O)C[NH2+][C@@H]1CCNC1=O)C(=O)CC[NH+](C)C ZINC001411069123 889730638 /nfs/dbraw/zinc/73/06/38/889730638.db2.gz CNEFBBGIAHWSCG-GHMZBOCLSA-N 2 0 286.376 -1.765 20 0 CAADRP CN(C[C@H](O)C[NH2+]CC(N)=O)C(=O)C[NH+]1CCCC1 ZINC001411126498 889734167 /nfs/dbraw/zinc/73/41/67/889734167.db2.gz MDKIZGAMZFLGAW-SNVBAGLBSA-N 2 0 272.349 -2.024 20 0 CAADRP CNC(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001411154026 889739465 /nfs/dbraw/zinc/73/94/65/889739465.db2.gz YYGOZHNKNCEDFZ-WDEREUQCSA-N 2 0 286.376 -1.907 20 0 CAADRP C[NH+](C)CCC(=O)NC[C@H]1C[C@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001417796725 890172058 /nfs/dbraw/zinc/17/20/58/890172058.db2.gz MBGQUXDNTQKBKS-MGCOHNPYSA-N 2 0 299.375 -1.383 20 0 CAADRP CC(C)[N@H+](C)CC(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001418111459 890190613 /nfs/dbraw/zinc/19/06/13/890190613.db2.gz ATCAFHCZSQGWSS-AOOOYVTPSA-N 2 0 299.375 -1.242 20 0 CAADRP C[C@H]([NH2+]CCN(C)C(=O)[C@@H]1CCC[N@@H+]1C)C(=O)NC(N)=O ZINC001418818538 890264265 /nfs/dbraw/zinc/26/42/65/890264265.db2.gz VHPSNZULCPDVSV-UWVGGRQHSA-N 2 0 299.375 -1.288 20 0 CAADRP C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)C[NH2+]CC(=O)NC(N)=O ZINC001419553985 890337380 /nfs/dbraw/zinc/33/73/80/890337380.db2.gz YVBYVUUYCCETOR-NXEZZACHSA-N 2 0 299.375 -1.525 20 0 CAADRP CNC(=O)NC(=O)C[NH2+][C@@H](C)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001419919112 890361637 /nfs/dbraw/zinc/36/16/37/890361637.db2.gz IASJNSQRZXTOIN-UWVGGRQHSA-N 2 0 299.375 -1.512 20 0 CAADRP C[C@@H](CNC(=O)C[NH+]1CCCC1)[NH2+]CC(=O)NC(N)=O ZINC001419927798 890362095 /nfs/dbraw/zinc/36/20/95/890362095.db2.gz SMRFEBVHAMNUNO-VIFPVBQESA-N 2 0 285.348 -1.629 20 0 CAADRP CNC(=O)NC(=O)C[NH2+][C@H](C)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001419919105 890365474 /nfs/dbraw/zinc/36/54/74/890365474.db2.gz IASJNSQRZXTOIN-NXEZZACHSA-N 2 0 299.375 -1.512 20 0 CAADRP C[C@H]([NH2+]C[C@@H](O)CNC(=O)C[N@H+](C)C1CCC1)C(N)=O ZINC001420137735 890398842 /nfs/dbraw/zinc/39/88/42/890398842.db2.gz KIKFPYSQWJXBAF-GXSJLCMTSA-N 2 0 286.376 -1.589 20 0 CAADRP C[C@@H](O)C[NH2+]C[C@@H](O)CNC(=O)C1(C[NH+](C)C)CC1 ZINC001420148487 890402423 /nfs/dbraw/zinc/40/24/23/890402423.db2.gz CAAQHVMFJIEQRG-GHMZBOCLSA-N 2 0 273.377 -1.224 20 0 CAADRP C[C@@H](CCNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]CC(=O)NC(N)=O ZINC001420163728 890404315 /nfs/dbraw/zinc/40/43/15/890404315.db2.gz QNLAVPZYZCXSRV-VHSXEESVSA-N 2 0 299.375 -1.383 20 0 CAADRP CC[N@H+](C)CCC(=O)NC[C@@H](O)C[NH2+][C@@H]1CCNC1=O ZINC001420193049 890410594 /nfs/dbraw/zinc/41/05/94/890410594.db2.gz IFCCHGNFPOAUJH-WDEREUQCSA-N 2 0 286.376 -1.717 20 0 CAADRP CC[N@H+](C)CCC(=O)NC[C@H](O)C[NH2+][C@@H]1CCNC1=O ZINC001420193040 890412055 /nfs/dbraw/zinc/41/20/55/890412055.db2.gz IFCCHGNFPOAUJH-GHMZBOCLSA-N 2 0 286.376 -1.717 20 0 CAADRP CNC(=O)[C@@H](C)[NH2+]C[C@@H](O)CNC(=O)C[N@H+](C)C(C)C ZINC001420215372 890417042 /nfs/dbraw/zinc/41/70/42/890417042.db2.gz ORISDOCPVLNYJF-GHMZBOCLSA-N 2 0 288.392 -1.472 20 0 CAADRP CC(C)[N@H+](C)CC(=O)NC[C@@H](O)C[NH2+]Cc1cnnn1C ZINC001420212611 890417147 /nfs/dbraw/zinc/41/71/47/890417147.db2.gz LBBNQWUQPQBNRP-LBPRGKRZSA-N 2 0 298.391 -1.278 20 0 CAADRP C[C@H](C[NH2+]CC(=O)NC(N)=O)NC(=O)C1(C[NH+](C)C)CC1 ZINC001420336155 890430317 /nfs/dbraw/zinc/43/03/17/890430317.db2.gz ZNCQSEIUUFWWCN-SECBINFHSA-N 2 0 299.375 -1.383 20 0 CAADRP C[NH+](C)CCCC(=O)NCC1([NH2+]CC(=O)NC(N)=O)CC1 ZINC001420976036 890476733 /nfs/dbraw/zinc/47/67/33/890476733.db2.gz RWKOVMRECOTLPD-UHFFFAOYSA-N 2 0 299.375 -1.239 20 0 CAADRP COC[C@H](O)C[NH+]1CC(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001421184491 890491817 /nfs/dbraw/zinc/49/18/17/890491817.db2.gz COFLHCHGJWJNFD-CHWSQXEVSA-N 2 0 285.388 -1.007 20 0 CAADRP C[N@@H+]1CCC[C@H]1C(=O)N(CCO)CC[NH2+][C@H]1CCNC1=O ZINC001421635740 890521200 /nfs/dbraw/zinc/52/12/00/890521200.db2.gz MULTZTVSJWDKSQ-RYUDHWBXSA-N 2 0 298.387 -1.620 20 0 CAADRP C[N@@H+]1CCC[C@H]1C(=O)NC[C@H](O)C[NH2+]CC(=O)N1CCC1 ZINC001422271384 890560758 /nfs/dbraw/zinc/56/07/58/890560758.db2.gz ZSLIYUAZSJZPER-NEPJUHHUSA-N 2 0 298.387 -1.620 20 0 CAADRP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](O)C[NH2+]CC(N)=O ZINC001422319523 890577283 /nfs/dbraw/zinc/57/72/83/890577283.db2.gz LACYHIBNIFZZPC-QWRGUYRKSA-N 2 0 286.376 -1.587 20 0 CAADRP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](O)C[NH2+]CC(N)=O ZINC001422319515 890578366 /nfs/dbraw/zinc/57/83/66/890578366.db2.gz LACYHIBNIFZZPC-MNOVXSKESA-N 2 0 286.376 -1.587 20 0 CAADRP CN(C)C(=O)C[NH2+]C[C@@H](O)CNC(=O)C12CC[NH+](CC1)C2 ZINC001422393782 890586541 /nfs/dbraw/zinc/58/65/41/890586541.db2.gz DUXRSCCPORZYRU-LLVKDONJSA-N 2 0 298.387 -1.763 20 0 CAADRP C[N@@H+]1CC[C@@H](CC(=O)NC[C@H](O)C[NH2+]CC(N)=O)C1 ZINC001422400876 890588994 /nfs/dbraw/zinc/58/89/94/890588994.db2.gz PSZACIDSZALDSO-VHSXEESVSA-N 2 0 272.349 -2.120 20 0 CAADRP C[N@@H+]1CC[C@@H](CC(=O)NC[C@@H](O)C[NH2+]CC(N)=O)C1 ZINC001422400873 890589026 /nfs/dbraw/zinc/58/90/26/890589026.db2.gz PSZACIDSZALDSO-UWVGGRQHSA-N 2 0 272.349 -2.120 20 0 CAADRP Cn1ccc(C[NH2+]C[C@@H](O)CNC(=O)[C@@H]2CC[N@H+](C)C2)n1 ZINC001422403087 890592948 /nfs/dbraw/zinc/59/29/48/890592948.db2.gz LGGVQHQNHDTMPD-DGCLKSJQSA-N 2 0 295.387 -1.062 20 0 CAADRP CNC(=O)NC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001422616218 890603006 /nfs/dbraw/zinc/60/30/06/890603006.db2.gz MGKKEGTXFRXITQ-NXEZZACHSA-N 2 0 299.375 -1.512 20 0 CAADRP CNC(=O)NC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001422616222 890604448 /nfs/dbraw/zinc/60/44/48/890604448.db2.gz MGKKEGTXFRXITQ-ZJUUUORDSA-N 2 0 299.375 -1.512 20 0 CAADRP NC(=O)C[NH2+][C@H](CO)CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001423217722 890646062 /nfs/dbraw/zinc/64/60/62/890646062.db2.gz KMFQBLPNKAAKQT-WDEREUQCSA-N 2 0 284.360 -2.120 20 0 CAADRP O=C(NC[C@H](CO)[NH2+]CCO)C12CCC[NH+](CCC1)C2 ZINC001423225729 890648704 /nfs/dbraw/zinc/64/87/04/890648704.db2.gz KCMIZBUPJDELFM-GFCCVEGCSA-N 2 0 285.388 -1.079 20 0 CAADRP CNC(=O)[C@@H](C)[NH2+][C@H](CO)CNC(=O)CC[NH+](C)C ZINC001423256510 890653459 /nfs/dbraw/zinc/65/34/59/890653459.db2.gz FVBZUHFAKMCUAC-ZJUUUORDSA-N 2 0 274.365 -1.861 20 0 CAADRP C[C@H](O)C[NH2+][C@H](CO)CNC(=O)C1CC[NH+](C)CC1 ZINC001423255917 890654263 /nfs/dbraw/zinc/65/42/63/890654263.db2.gz CVBIHXUIAGIIRK-JQWIXIFHSA-N 2 0 273.377 -1.224 20 0 CAADRP CNC(=O)[C@H](C)[NH2+][C@H](CO)CNC(=O)CC[NH+](C)C ZINC001423256504 890654694 /nfs/dbraw/zinc/65/46/94/890654694.db2.gz FVBZUHFAKMCUAC-UWVGGRQHSA-N 2 0 274.365 -1.861 20 0 CAADRP NC(=O)C[NH2+][C@H](CO)CNC(=O)CC[NH+]1CCCCC1 ZINC001423298184 890663808 /nfs/dbraw/zinc/66/38/08/890663808.db2.gz FYLJXPGUDXSCOV-NSHDSACASA-N 2 0 286.376 -1.586 20 0 CAADRP CNC(=O)C[NH2+][C@@H](CO)CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001423297326 890664227 /nfs/dbraw/zinc/66/42/27/890664227.db2.gz OZVDPGHITSKJEP-GHMZBOCLSA-N 2 0 286.376 -1.859 20 0 CAADRP CNC(=O)C[NH2+][C@@H](CO)CNC(=O)C[N@H+](C)C(C)C ZINC001423305604 890664562 /nfs/dbraw/zinc/66/45/62/890664562.db2.gz VWMMCZAGXZNAHK-SNVBAGLBSA-N 2 0 274.365 -1.861 20 0 CAADRP CNC(=O)C[NH2+][C@H](CO)CNC(=O)C[N@H+](C)C(C)C ZINC001423305601 890664995 /nfs/dbraw/zinc/66/49/95/890664995.db2.gz VWMMCZAGXZNAHK-JTQLQIEISA-N 2 0 274.365 -1.861 20 0 CAADRP O=C(NC[C@]1(O)CC[N@@H+](CCO)C1)[C@H]1C[NH+]2CCC1CC2 ZINC001423768412 890693467 /nfs/dbraw/zinc/69/34/67/890693467.db2.gz TYMXWNLUCMLZDF-DZGCQCFKSA-N 2 0 297.399 -1.127 20 0 CAADRP C[C@H]1CC[N@H+](CC(=O)NC[C@]2(O)CC[NH+](CCO)C2)C1 ZINC001423782625 890697848 /nfs/dbraw/zinc/69/78/48/890697848.db2.gz ASZGZRCNKPLHRE-GXTWGEPZSA-N 2 0 285.388 -1.127 20 0 CAADRP C[C@H]1CC[N@H+](CC(=O)NC[C@@]2(O)CC[NH+](CCO)C2)C1 ZINC001423782629 890698577 /nfs/dbraw/zinc/69/85/77/890698577.db2.gz ASZGZRCNKPLHRE-JSGCOSHPSA-N 2 0 285.388 -1.127 20 0 CAADRP C[C@@H]1CC[N@H+](CC(=O)NC[C@]2(O)CC[NH+](CCO)C2)C1 ZINC001423782635 890698672 /nfs/dbraw/zinc/69/86/72/890698672.db2.gz ASZGZRCNKPLHRE-TZMCWYRMSA-N 2 0 285.388 -1.127 20 0 CAADRP C[NH+](C)CC1(C(=O)NC[C@H](CO)[NH2+][C@@H]2CCNC2=O)CC1 ZINC001425789038 890818802 /nfs/dbraw/zinc/81/88/02/890818802.db2.gz AMEVAZBYZLTZJE-GHMZBOCLSA-N 2 0 298.387 -1.717 20 0 CAADRP Cn1nccc1C[NH2+][C@@H](CO)CNC(=O)CC[NH+](C)C ZINC001425802921 890820697 /nfs/dbraw/zinc/82/06/97/890820697.db2.gz HLJIEYMOQIYFBH-LLVKDONJSA-N 2 0 283.376 -1.062 20 0 CAADRP C[C@H]([NH2+][C@@H](CO)CNC(=O)CC[NH+](C)C)C(=O)N(C)C ZINC001425813713 890825286 /nfs/dbraw/zinc/82/52/86/890825286.db2.gz ZYBVFOVCGUHGHK-WDEREUQCSA-N 2 0 288.392 -1.519 20 0 CAADRP CCC[N@H+](C)CC(=O)NC[C@H](CO)[NH2+][C@@H]1CCNC1=O ZINC001425840057 890829835 /nfs/dbraw/zinc/82/98/35/890829835.db2.gz MBUCMXOKNAOSFR-GHMZBOCLSA-N 2 0 286.376 -1.717 20 0 CAADRP C[C@@H](O)C[NH2+][C@@H](CO)CNC(=O)C12CC[NH+](CC1)C2 ZINC001425830028 890830702 /nfs/dbraw/zinc/83/07/02/890830702.db2.gz IBMYKPOPWSFVJV-GHMZBOCLSA-N 2 0 271.361 -1.470 20 0 CAADRP O=C(C[NH+]1CCCC1)NC[C@H](CO)[NH2+][C@H]1CCCNC1=O ZINC001425844947 890834343 /nfs/dbraw/zinc/83/43/43/890834343.db2.gz VOGGPGFOGQTMEC-NEPJUHHUSA-N 2 0 298.387 -1.573 20 0 CAADRP CCC[N@H+](C)CC(=O)N[C@H]1C[C@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001436928288 891159716 /nfs/dbraw/zinc/15/97/16/891159716.db2.gz XLSHZFKRCFUEFP-MGCOHNPYSA-N 2 0 299.375 -1.240 20 0 CAADRP C[C@H](CNC(=O)CC[NH+](C)C)[NH2+][C@H](C)C(=O)NC(N)=O ZINC001437196923 891167584 /nfs/dbraw/zinc/16/75/84/891167584.db2.gz FYXBVJBTASRZFW-RKDXNWHRSA-N 2 0 287.364 -1.384 20 0 CAADRP C[C@@H](CNC(=O)CCC[NH+](C)C)[NH2+]CC(=O)NC(N)=O ZINC001437200141 891169371 /nfs/dbraw/zinc/16/93/71/891169371.db2.gz WLUKZRNHGXGFTR-VIFPVBQESA-N 2 0 287.364 -1.383 20 0 CAADRP CC[C@@H](C(=O)NC[C@@H](C)[NH2+]CC(=O)NC(N)=O)[NH+](C)C ZINC001437233894 891171579 /nfs/dbraw/zinc/17/15/79/891171579.db2.gz GXXLDUMWNFJIOT-BDAKNGLRSA-N 2 0 287.364 -1.384 20 0 CAADRP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H](O)C[NH2+]CC(N)=O ZINC001438997952 891257807 /nfs/dbraw/zinc/25/78/07/891257807.db2.gz IJQVWIYBPGQZNY-UWVGGRQHSA-N 2 0 272.349 -1.977 20 0 CAADRP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@H](O)C[NH2+]CC(N)=O ZINC001438997961 891258681 /nfs/dbraw/zinc/25/86/81/891258681.db2.gz IJQVWIYBPGQZNY-ZJUUUORDSA-N 2 0 272.349 -1.977 20 0 CAADRP CC[C@H](C(=O)NC[C@@H](O)C[NH2+]CC(=O)N(C)C)[NH+](C)C ZINC001438997794 891260413 /nfs/dbraw/zinc/26/04/13/891260413.db2.gz IDRPKWVKHYNKNR-WDEREUQCSA-N 2 0 288.392 -1.519 20 0 CAADRP NC(=O)C[NH2+]C[C@@H](O)CNC(=O)C12CCC[NH+]1CCC2 ZINC001439006441 891262823 /nfs/dbraw/zinc/26/28/23/891262823.db2.gz ZUJVCHBHZGWOEI-SNVBAGLBSA-N 2 0 284.360 -1.833 20 0 CAADRP CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001439019428 891265984 /nfs/dbraw/zinc/26/59/84/891265984.db2.gz XHAZRBPGXNLIOP-GHMZBOCLSA-N 2 0 286.376 -1.717 20 0 CAADRP C[C@H](C[NH2+][C@@H](C)C(=O)NC(N)=O)NC(=O)C[NH+]1CCCC1 ZINC001439178503 891287230 /nfs/dbraw/zinc/28/72/30/891287230.db2.gz BHERLQYECYCSOW-ZJUUUORDSA-N 2 0 299.375 -1.240 20 0 CAADRP CC[C@@H](C(=O)N[C@H](C)C[NH2+]CC(=O)NC(N)=O)[NH+](C)C ZINC001439165185 891289881 /nfs/dbraw/zinc/28/98/81/891289881.db2.gz BWHRBGMWABZVCI-BDAKNGLRSA-N 2 0 287.364 -1.384 20 0 CAADRP C[C@@H](C[NH2+]CC(=O)NC(N)=O)NC(=O)C1([NH+](C)C)CCC1 ZINC001439215978 891292300 /nfs/dbraw/zinc/29/23/00/891292300.db2.gz TUTJECDIDZERHG-VIFPVBQESA-N 2 0 299.375 -1.240 20 0 CAADRP CC[C@H](C(=O)NCC1([NH2+]CC(=O)NC(N)=O)CC1)[NH+](C)C ZINC001439622050 891317622 /nfs/dbraw/zinc/31/76/22/891317622.db2.gz MHRSGNHYLOCJQH-SECBINFHSA-N 2 0 299.375 -1.240 20 0 CAADRP C[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CC(N)=O)CCOCC1 ZINC001439948579 891329431 /nfs/dbraw/zinc/32/94/31/891329431.db2.gz BKLFDEHGHCNCRJ-NSHDSACASA-N 2 0 298.387 -1.179 20 0 CAADRP C[N@@H+]1CC[C@@H](C(=O)N[C@]2(CO)CCC[NH+](CCO)C2)C1 ZINC001440186171 891357562 /nfs/dbraw/zinc/35/75/62/891357562.db2.gz BBHNQSQBURLUQG-TZMCWYRMSA-N 2 0 285.388 -1.127 20 0 CAADRP C[NH+](C)CCC(=O)N(CCO)CC[NH2+][C@@H]1CCNC1=O ZINC001440210680 891361172 /nfs/dbraw/zinc/36/11/72/891361172.db2.gz XQBIQNYNBDARLI-LLVKDONJSA-N 2 0 286.376 -1.763 20 0 CAADRP C[C@@H]([NH2+]CCN(CCO)C(=O)C12CC[NH+](CC1)C2)C(N)=O ZINC001440204865 891361388 /nfs/dbraw/zinc/36/13/88/891361388.db2.gz JNHGXHDAYQFYKO-LLVKDONJSA-N 2 0 298.387 -1.634 20 0 CAADRP C[N@@H+]1CC[C@H](CC(=O)N2CCO[C@H](C[NH2+]CC(N)=O)C2)C1 ZINC001440378734 891368586 /nfs/dbraw/zinc/36/85/86/891368586.db2.gz VAHPJYFJRAPBIW-VXGBXAGGSA-N 2 0 298.387 -1.370 20 0 CAADRP CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)CCO1 ZINC001440375740 891371678 /nfs/dbraw/zinc/37/16/78/891371678.db2.gz MSFYEIBYPNYQSP-NEPJUHHUSA-N 2 0 298.387 -1.356 20 0 CAADRP NC(=O)C[NH2+][C@]1(CO)CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001440559269 891372808 /nfs/dbraw/zinc/37/28/08/891372808.db2.gz UXKKTYLPYQNNIT-CQSZACIVSA-N 2 0 298.387 -1.489 20 0 CAADRP C[N@@H+]1CC[C@@H](C(=O)N2CCC[C@](CO)([NH2+]CC(N)=O)C2)C1 ZINC001440554593 891373589 /nfs/dbraw/zinc/37/35/89/891373589.db2.gz NEEMZRKFAJMHDR-RISCZKNCSA-N 2 0 298.387 -1.634 20 0 CAADRP NC(=O)C[NH2+][C@@]1(CO)CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001440559252 891374595 /nfs/dbraw/zinc/37/45/95/891374595.db2.gz UXKKTYLPYQNNIT-AWEZNQCLSA-N 2 0 298.387 -1.489 20 0 CAADRP C[C@@H]([NH2+]CC(N)=O)[C@@H]1CN(C(=O)C[NH+]2CCCC2)CCO1 ZINC001441330422 891407553 /nfs/dbraw/zinc/40/75/53/891407553.db2.gz OCTMINICCIDUFH-NEPJUHHUSA-N 2 0 298.387 -1.227 20 0 CAADRP CC[N@H+](C)CCC(=O)N[C@H]1C[C@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001441417651 891412933 /nfs/dbraw/zinc/41/29/33/891412933.db2.gz NUGLHYKISXAWES-MGCOHNPYSA-N 2 0 299.375 -1.240 20 0 CAADRP C[NH+](C)CCCC(=O)N[C@H]1C[C@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001441426107 891414538 /nfs/dbraw/zinc/41/45/38/891414538.db2.gz YIDVIRBTDAEAMP-MGCOHNPYSA-N 2 0 299.375 -1.240 20 0 CAADRP C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](CO)[NH2+]CCn1cncn1 ZINC001441677554 891426931 /nfs/dbraw/zinc/42/69/31/891426931.db2.gz FNZSMTPKUPRXEO-RYUDHWBXSA-N 2 0 296.375 -1.561 20 0 CAADRP C[NH+](C)CCC(=O)NC[C@H](CO)[NH2+]CC(=O)NC(N)=O ZINC001441751699 891444727 /nfs/dbraw/zinc/44/47/27/891444727.db2.gz UXTISJUKINEUOL-MRVPVSSYSA-N 2 0 289.336 -2.800 20 0 CAADRP CNC(=O)NC(=O)C[NH2+][C@H](C)CNC(=O)CC[NH+](C)C ZINC001441949740 891466280 /nfs/dbraw/zinc/46/62/80/891466280.db2.gz ZLQIXPUZCCEYLZ-SECBINFHSA-N 2 0 287.364 -1.512 20 0 CAADRP C[C@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)[NH2+]CC(=O)NC(N)=O ZINC001441942485 891466406 /nfs/dbraw/zinc/46/64/06/891466406.db2.gz CJUROZJICNZOMF-VHSXEESVSA-N 2 0 299.375 -1.383 20 0 CAADRP CN(C[C@H](O)C[N@H+](C)CCO)C(=O)[C@@H]1CCC[NH+]1C ZINC001442046754 891475196 /nfs/dbraw/zinc/47/51/96/891475196.db2.gz DNVPJHKUCHUBOU-NEPJUHHUSA-N 2 0 273.377 -1.176 20 0 CAADRP CN(C[C@H](O)C[NH2+]CC(N)=O)C(=O)C12CC[NH+](CC1)C2 ZINC001442036494 891475491 /nfs/dbraw/zinc/47/54/91/891475491.db2.gz HXAOIRZWPJNBKV-SNVBAGLBSA-N 2 0 284.360 -2.024 20 0 CAADRP C[C@H](C[NH2+]Cc1nc(=O)n(C)[nH]1)N(C)C(=O)CC[NH+](C)C ZINC001444664973 891583672 /nfs/dbraw/zinc/58/36/72/891583672.db2.gz KQZHQFXUMOBWEQ-SNVBAGLBSA-N 2 0 298.391 -1.003 20 0 CAADRP NC(=O)C[NH2+]C[C@H](O)CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001445176677 891613048 /nfs/dbraw/zinc/61/30/48/891613048.db2.gz GSNSJGAUBBGXKL-WDEREUQCSA-N 2 0 284.360 -2.120 20 0 CAADRP NC(=O)C[NH2+]C[C@H](O)CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001445176661 891613105 /nfs/dbraw/zinc/61/31/05/891613105.db2.gz GSNSJGAUBBGXKL-QWRGUYRKSA-N 2 0 284.360 -2.120 20 0 CAADRP CC[C@@H]1[C@@H](C(=O)NC[C@H](O)C[NH2+]CC(N)=O)CC[N@@H+]1C ZINC001445181559 891613807 /nfs/dbraw/zinc/61/38/07/891613807.db2.gz KMQMNMXNFXFHIV-OUAUKWLOSA-N 2 0 286.376 -1.731 20 0 CAADRP C[NH+](C)CCC(=O)NC[C@H](O)C[NH2+][C@H]1CCCNC1=O ZINC001445225001 891620609 /nfs/dbraw/zinc/62/06/09/891620609.db2.gz LWQLKSNZKLJYEO-MNOVXSKESA-N 2 0 286.376 -1.717 20 0 CAADRP C[C@@H](O)C[NH2+]C[C@@H](O)CNC(=O)C12CC[NH+](CC1)C2 ZINC001445265818 891626156 /nfs/dbraw/zinc/62/61/56/891626156.db2.gz WJOVNIITTXPUAB-GHMZBOCLSA-N 2 0 271.361 -1.470 20 0 CAADRP C[C@@H]([NH2+]C[C@H](C)NC(=O)C[NH+]1CCCC1)C(=O)NC(N)=O ZINC001445645274 891646199 /nfs/dbraw/zinc/64/61/99/891646199.db2.gz BHERLQYECYCSOW-VHSXEESVSA-N 2 0 299.375 -1.240 20 0 CAADRP C[C@@H]1[C@H](C(=O)NC[C@@]2(O)CC[NH+](CCO)C2)CC[N@@H+]1C ZINC001446770740 891690905 /nfs/dbraw/zinc/69/09/05/891690905.db2.gz SGEJJTRZYGSXAR-BZPMIXESSA-N 2 0 285.388 -1.128 20 0 CAADRP CC[N@H+](C)CCC(=O)NC[C@@]1(O)CC[NH+](CCO)C1 ZINC001446811574 891693238 /nfs/dbraw/zinc/69/32/38/891693238.db2.gz YUQVJWDUWZWBQK-ZDUSSCGKSA-N 2 0 273.377 -1.127 20 0 CAADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCO[C@@H](C[NH2+]CC(N)=O)C1 ZINC001447255078 891716522 /nfs/dbraw/zinc/71/65/22/891716522.db2.gz BPCMWNSYAGVHCV-QWRGUYRKSA-N 2 0 284.360 -1.617 20 0 CAADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCO[C@H](C[NH2+]CC(N)=O)C1 ZINC001447254889 891718226 /nfs/dbraw/zinc/71/82/26/891718226.db2.gz BPCMWNSYAGVHCV-MNOVXSKESA-N 2 0 284.360 -1.617 20 0 CAADRP NC(=O)C[NH2+]C[C@@H]1CN(C(=O)C[NH+]2CCCC2)CCO1 ZINC001447308340 891721369 /nfs/dbraw/zinc/72/13/69/891721369.db2.gz POAVERMMIGMXGR-LLVKDONJSA-N 2 0 284.360 -1.616 20 0 CAADRP NC(=O)C[NH2+]C[C@H]1CN(C(=O)C[NH+]2CCCC2)CCO1 ZINC001447308490 891722295 /nfs/dbraw/zinc/72/22/95/891722295.db2.gz POAVERMMIGMXGR-NSHDSACASA-N 2 0 284.360 -1.616 20 0 CAADRP C[N@@H+]1CCC[C@H]1CCC(=O)NC[C@H](CO)[NH2+]CCO ZINC001448871812 891798134 /nfs/dbraw/zinc/79/81/34/891798134.db2.gz WPLCTNGXEMADHK-NEPJUHHUSA-N 2 0 273.377 -1.080 20 0 CAADRP C[N@@H+]1CCC[C@@H]1CCC(=O)NC[C@H](CO)[NH2+]CCO ZINC001448871831 891799643 /nfs/dbraw/zinc/79/96/43/891799643.db2.gz WPLCTNGXEMADHK-VXGBXAGGSA-N 2 0 273.377 -1.080 20 0 CAADRP C[NH+]1CCC(C(=O)NC[C@@H](CO)[NH2+][C@@H]2CCNC2=O)CC1 ZINC001448887890 891801231 /nfs/dbraw/zinc/80/12/31/891801231.db2.gz LGXSFNAUDWJIHJ-NWDGAFQWSA-N 2 0 298.387 -1.717 20 0 CAADRP CNC(=O)[C@H](C)[NH2+][C@H](CO)CNC(=O)C12CC[NH+](CC1)C2 ZINC001448937762 891816769 /nfs/dbraw/zinc/81/67/69/891816769.db2.gz BHNSJLSMOPSVMD-QWRGUYRKSA-N 2 0 298.387 -1.717 20 0 CAADRP C[N@@H+]1CC[C@H](C(=O)NC[C@@H](CO)[NH2+]CCn2cccn2)C1 ZINC001448949472 891817297 /nfs/dbraw/zinc/81/72/97/891817297.db2.gz GBDQIIAOUDBCOP-STQMWFEESA-N 2 0 295.387 -1.099 20 0 CAADRP CN(C[C@@H](O)C[NH2+]CC(N)=O)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001449107997 891823376 /nfs/dbraw/zinc/82/33/76/891823376.db2.gz HYFODSWTHDKHPU-UWVGGRQHSA-N 2 0 272.349 -2.025 20 0 CAADRP CN(C[C@H](O)C[NH2+]CC(N)=O)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001449108018 891826147 /nfs/dbraw/zinc/82/61/47/891826147.db2.gz HYFODSWTHDKHPU-ZJUUUORDSA-N 2 0 272.349 -2.025 20 0 CAADRP CN(C[C@H](O)C[NH2+]CC(N)=O)C(=O)C1CC[NH+](C)CC1 ZINC001449144399 891834576 /nfs/dbraw/zinc/83/45/76/891834576.db2.gz HEJCIKVAYYQYCS-LLVKDONJSA-N 2 0 286.376 -1.778 20 0 CAADRP CN(C[C@@H](O)C[NH2+]CC(N)=O)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001449166357 891838141 /nfs/dbraw/zinc/83/81/41/891838141.db2.gz WCWMZJUKUBBQBJ-MNOVXSKESA-N 2 0 286.376 -1.778 20 0 CAADRP C[C@@H]1CC[N@H+](CC(=O)N(C)C[C@@H](O)C[NH2+]CC(N)=O)C1 ZINC001449163360 891838366 /nfs/dbraw/zinc/83/83/66/891838366.db2.gz UNHZZTSHSDRMSW-MNOVXSKESA-N 2 0 286.376 -1.778 20 0 CAADRP CN(C[C@@H](O)C[NH2+]CC(N)=O)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001449166358 891838735 /nfs/dbraw/zinc/83/87/35/891838735.db2.gz WCWMZJUKUBBQBJ-QWRGUYRKSA-N 2 0 286.376 -1.778 20 0 CAADRP CN(C[C@H](O)C[NH2+]CC(N)=O)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001449166359 891839405 /nfs/dbraw/zinc/83/94/05/891839405.db2.gz WCWMZJUKUBBQBJ-WDEREUQCSA-N 2 0 286.376 -1.778 20 0 CAADRP CNC(=O)C[NH2+]C[C@H](O)CN(C)C(=O)C[NH+]1CCCC1 ZINC001449190606 891840019 /nfs/dbraw/zinc/84/00/19/891840019.db2.gz OFURVMFOMBGJSA-NSHDSACASA-N 2 0 286.376 -1.763 20 0 CAADRP CN(C[C@H](O)C[N@H+](C)CCO)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001449249323 891843686 /nfs/dbraw/zinc/84/36/86/891843686.db2.gz UUOPROBAVZCHFP-VXGBXAGGSA-N 2 0 273.377 -1.319 20 0 CAADRP Nc1nc(N2C[C@@H]3CCC[N@@H+]3C[C@@H]2CO)nc(N)[nH+]1 ZINC001458573004 892121825 /nfs/dbraw/zinc/12/18/25/892121825.db2.gz NUEQZZCIKPVROL-JGVFFNPUSA-N 2 0 265.321 -1.319 20 0 CAADRP CNC(=O)C[NH2+][C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001480116246 892500406 /nfs/dbraw/zinc/50/04/06/892500406.db2.gz QAEGXHDPIQLNHE-JTQLQIEISA-N 2 0 256.350 -1.125 20 0 CAADRP C[C@H](CNC(=O)c1ccn(CC[NH+](C)C)n1)[NH2+]CC(N)=O ZINC001480463784 892522848 /nfs/dbraw/zinc/52/28/48/892522848.db2.gz ZATGFXXVAWMWCR-SNVBAGLBSA-N 2 0 296.375 -1.362 20 0 CAADRP CNC(=O)C[NH2+]CCN(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001481216204 892582418 /nfs/dbraw/zinc/58/24/18/892582418.db2.gz UXFTXRNBWWTCLU-JTQLQIEISA-N 2 0 256.350 -1.125 20 0 CAADRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](O)C[NH2+]CC(N)=O ZINC001482715697 892669652 /nfs/dbraw/zinc/66/96/52/892669652.db2.gz ILDKKCROPDDYMQ-RKDXNWHRSA-N 2 0 258.322 -2.367 20 0 CAADRP C[C@@H](O)C[NH2+]C[C@@H](O)CNC(=O)C[N@H+](C)C1CCC1 ZINC001482737491 892679751 /nfs/dbraw/zinc/67/97/51/892679751.db2.gz NTNCEWPJMZAWDT-ZYHUDNBSSA-N 2 0 273.377 -1.082 20 0 CAADRP C[NH+](C)CC1(C(=O)NC[C@H](O)C[NH2+]CCO)CC1 ZINC001482763601 892692609 /nfs/dbraw/zinc/69/26/09/892692609.db2.gz XZQSYWPHEJGMGJ-SNVBAGLBSA-N 2 0 259.350 -1.613 20 0 CAADRP C[C@H]1CC[N@H+](CC(=O)NC[C@@H](O)C[NH2+]CC(N)=O)C1 ZINC001482767482 892694403 /nfs/dbraw/zinc/69/44/03/892694403.db2.gz NNAUXWQSHDOCJA-UWVGGRQHSA-N 2 0 272.349 -2.120 20 0 CAADRP C[NH+]1CCC(C(=O)NC[C@H](O)C[NH2+]CC(N)=O)CC1 ZINC001482768577 892694534 /nfs/dbraw/zinc/69/45/34/892694534.db2.gz ZFFDJZRWGMHTQZ-SNVBAGLBSA-N 2 0 272.349 -2.120 20 0 CAADRP C[C@@H]1CC[N@H+](CC(=O)NC[C@H](O)C[NH2+]CC(N)=O)C1 ZINC001482767479 892695807 /nfs/dbraw/zinc/69/58/07/892695807.db2.gz NNAUXWQSHDOCJA-NXEZZACHSA-N 2 0 272.349 -2.120 20 0 CAADRP CNC(=O)C[NH2+]C[C@H](O)CNC(=O)C1CC[NH+](C)CC1 ZINC001482767514 892695964 /nfs/dbraw/zinc/69/59/64/892695964.db2.gz RXMKFJDBNXRRPC-NSHDSACASA-N 2 0 286.376 -1.859 20 0 CAADRP CC[C@H](C(=O)NC[C@H](O)C[NH2+]CC(N)=O)[NH+](C)C ZINC001482785869 892700571 /nfs/dbraw/zinc/70/05/71/892700571.db2.gz NMCCWGFGQURZLD-RKDXNWHRSA-N 2 0 260.338 -2.121 20 0 CAADRP CC[C@H](C(=O)NC[C@@H](O)C[NH2+]CC(N)=O)[NH+](C)C ZINC001482785865 892700929 /nfs/dbraw/zinc/70/09/29/892700929.db2.gz NMCCWGFGQURZLD-DTWKUNHWSA-N 2 0 260.338 -2.121 20 0 CAADRP CC[C@@H]([NH2+]C[C@@H](O)CNC(=O)C[NH+]1CCCC1)C(N)=O ZINC001482793721 892703973 /nfs/dbraw/zinc/70/39/73/892703973.db2.gz RMKOOIZCJMODBV-GHMZBOCLSA-N 2 0 286.376 -1.587 20 0 CAADRP Cn1ccnc1C[NH2+]C[C@@H](O)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001482790447 892704505 /nfs/dbraw/zinc/70/45/05/892704505.db2.gz CHPTUAOSNKUZAF-NWDGAFQWSA-N 2 0 295.387 -1.062 20 0 CAADRP CNC(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001482791142 892704777 /nfs/dbraw/zinc/70/47/77/892704777.db2.gz QEDNKTPPSUMHGG-VHSXEESVSA-N 2 0 272.349 -2.249 20 0 CAADRP CC[C@H]([NH2+]C[C@@H](O)CNC(=O)C[NH+]1CCCC1)C(N)=O ZINC001482793722 892706027 /nfs/dbraw/zinc/70/60/27/892706027.db2.gz RMKOOIZCJMODBV-MNOVXSKESA-N 2 0 286.376 -1.587 20 0 CAADRP C[C@@H](C[NH+]1CCOCC1)C(=O)NC[C@H](O)C[NH2+]CCF ZINC001482794751 892709116 /nfs/dbraw/zinc/70/91/16/892709116.db2.gz ZNXRXLWEYDLZSC-NWDGAFQWSA-N 2 0 291.367 -1.009 20 0 CAADRP C[C@H](C[NH2+][C@@H]1CCC(=O)NC1=O)NC(=O)C[NH+]1CCCC1 ZINC001483192731 892739578 /nfs/dbraw/zinc/73/95/78/892739578.db2.gz DFAVBFDFYKQGLW-GHMZBOCLSA-N 2 0 296.371 -1.018 20 0 CAADRP CNC(=O)NC(=O)C[NH2+]C[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001483214367 892742385 /nfs/dbraw/zinc/74/23/85/892742385.db2.gz KIZLTGGKHPZHSX-UWVGGRQHSA-N 2 0 299.375 -1.370 20 0 CAADRP C[C@@H](C[NH2+]CC(=O)NC(N)=O)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001483266418 892751147 /nfs/dbraw/zinc/75/11/47/892751147.db2.gz LNHMGCZUZQUMIT-ZJUUUORDSA-N 2 0 299.375 -1.383 20 0 CAADRP C[NH+](C)CCC(=O)NCCN1CCC([NH2+]CC(N)=O)CC1 ZINC001484421612 892857259 /nfs/dbraw/zinc/85/72/59/892857259.db2.gz RKIACISRIAIPRM-UHFFFAOYSA-N 2 0 299.419 -1.406 20 0 CAADRP C[NH+](C)CCC(=O)NC[C@H](CO)[NH2+][C@@H]1CCNC1=O ZINC001486031211 892990496 /nfs/dbraw/zinc/99/04/96/892990496.db2.gz PSTYZLWIZMZCSI-NXEZZACHSA-N 2 0 272.349 -2.107 20 0 CAADRP CN(C)C(=O)C[NH2+][C@@H](CO)CNC(=O)CC[NH+](C)C ZINC001486031610 892993913 /nfs/dbraw/zinc/99/39/13/892993913.db2.gz UOTBUMISLREIJI-SNVBAGLBSA-N 2 0 274.365 -1.907 20 0 CAADRP CCNC(=O)C[NH2+][C@H](CO)CNC(=O)C12CC[NH+](CC1)C2 ZINC001486051923 893000224 /nfs/dbraw/zinc/00/02/24/893000224.db2.gz AEWKVZYVPIJONW-NSHDSACASA-N 2 0 298.387 -1.715 20 0 CAADRP O=C(NC[C@H](CO)[NH2+][C@@H]1CCNC1=O)C12CC[NH+](CC1)C2 ZINC001486052289 893001485 /nfs/dbraw/zinc/00/14/85/893001485.db2.gz FCIAITKTMYRLNY-GHMZBOCLSA-N 2 0 296.371 -1.963 20 0 CAADRP C[N@@H+]1CC[C@H](CC(=O)NC[C@H](CO)[NH2+]CC(N)=O)C1 ZINC001486052025 893001804 /nfs/dbraw/zinc/00/18/04/893001804.db2.gz BBNVPWFTBKMRJT-NXEZZACHSA-N 2 0 272.349 -2.120 20 0 CAADRP O=C(NC[C@@H](CO)[NH2+][C@@H]1CCNC1=O)C12CC[NH+](CC1)C2 ZINC001486052292 893004419 /nfs/dbraw/zinc/00/44/19/893004419.db2.gz FCIAITKTMYRLNY-WDEREUQCSA-N 2 0 296.371 -1.963 20 0 CAADRP C[C@H](C[NH+]1CCOCC1)C(=O)NC[C@H](CO)[NH2+]CCO ZINC001486062714 893006537 /nfs/dbraw/zinc/00/65/37/893006537.db2.gz YORYXGGBQLYNQO-VXGBXAGGSA-N 2 0 289.376 -1.986 20 0 CAADRP C[C@@H](C[NH+]1CCOCC1)C(=O)NC[C@@H](CO)[NH2+]CCO ZINC001486062713 893010311 /nfs/dbraw/zinc/01/03/11/893010311.db2.gz YORYXGGBQLYNQO-RYUDHWBXSA-N 2 0 289.376 -1.986 20 0 CAADRP CC(C)[N@H+](C)CC(=O)NC[C@H](CO)[NH2+]CC(=O)N(C)C ZINC001486064826 893010792 /nfs/dbraw/zinc/01/07/92/893010792.db2.gz ABCIGNMVQYCWQG-LLVKDONJSA-N 2 0 288.392 -1.519 20 0 CAADRP CNC(=O)[C@@H](C)[NH2+]C[C@@H](O)CN(C)C(=O)CC[NH+](C)C ZINC001486298532 893038801 /nfs/dbraw/zinc/03/88/01/893038801.db2.gz QSRUTTSLFZXQNF-GHMZBOCLSA-N 2 0 288.392 -1.519 20 0 CAADRP CN(C[C@H](O)C[NH2+]Cc1cnnn1C)C(=O)CC[NH+](C)C ZINC001486298413 893039778 /nfs/dbraw/zinc/03/97/78/893039778.db2.gz OONXYXJXRIJUEU-GFCCVEGCSA-N 2 0 298.391 -1.324 20 0 CAADRP CNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001490956497 893228776 /nfs/dbraw/zinc/22/87/76/893228776.db2.gz WEIYFZSMWMHVSW-DCAQKATOSA-N 2 0 268.361 -1.079 20 0 CAADRP CNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001491081195 893236452 /nfs/dbraw/zinc/23/64/52/893236452.db2.gz WEIYFZSMWMHVSW-GARJFASQSA-N 2 0 268.361 -1.079 20 0 CAADRP CNC(=O)C[NH2+][C@@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001491643450 893303649 /nfs/dbraw/zinc/30/36/49/893303649.db2.gz ZUYRYSAETWXXAM-JTQLQIEISA-N 2 0 268.361 -1.078 20 0 CAADRP C[C@@H](CNC(=O)C[NH+]1CCCC1)[NH2+][C@@H]1CCC(=O)NC1=O ZINC001491676194 893307913 /nfs/dbraw/zinc/30/79/13/893307913.db2.gz ZCHNXQFTVPMOQB-WDEREUQCSA-N 2 0 296.371 -1.018 20 0 CAADRP CNC(=O)C[NH2+][C@H](C)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001491673856 893309174 /nfs/dbraw/zinc/30/91/74/893309174.db2.gz PNYVRTVAZNSBDP-ZJUUUORDSA-N 2 0 256.350 -1.222 20 0 CAADRP C[N@@H+]1CC[C@H](C(=O)N2CC[C@@H](C[NH2+]CC(N)=O)C2)C1 ZINC001491855798 893315581 /nfs/dbraw/zinc/31/55/81/893315581.db2.gz HNVDWIXXEZGAGE-QWRGUYRKSA-N 2 0 268.361 -1.139 20 0 CAADRP C[C@H](CCNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]CC(=O)NC(N)=O ZINC001491992423 893320017 /nfs/dbraw/zinc/32/00/17/893320017.db2.gz UGKKWNDWMQYDTR-ZJUUUORDSA-N 2 0 299.375 -1.240 20 0 CAADRP CN(CC[NH2+][C@@H]1CCC(=O)NC1=O)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001493499039 893399336 /nfs/dbraw/zinc/39/93/36/893399336.db2.gz GGHOULRSJSIMDG-MNOVXSKESA-N 2 0 296.371 -1.066 20 0 CAADRP CN(CC[NH2+][C@H]1CCC(=O)NC1=O)C(=O)[C@H]1CCC[N@@H+]1C ZINC001493499043 893401141 /nfs/dbraw/zinc/40/11/41/893401141.db2.gz GGHOULRSJSIMDG-WDEREUQCSA-N 2 0 296.371 -1.066 20 0 CAADRP CN(CC[NH2+]CC(=O)NC(N)=O)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001493600997 893408831 /nfs/dbraw/zinc/40/88/31/893408831.db2.gz UFZBUTZQEOEQCT-JTQLQIEISA-N 2 0 299.375 -1.286 20 0 CAADRP C[N@@H+]1CC[C@@H](C(=O)NCC2C[NH+](CCOCCO)C2)C1 ZINC001494626604 893450113 /nfs/dbraw/zinc/45/01/13/893450113.db2.gz YOKIDZIMMWSUQT-CYBMUJFWSA-N 2 0 285.388 -1.005 20 0 CAADRP C[C@@H](CNC(=O)CC[NH+](C)C)C[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001495732152 893488272 /nfs/dbraw/zinc/48/82/72/893488272.db2.gz WTYXIRBQXVVRGG-SNVBAGLBSA-N 2 0 298.391 -1.098 20 0 CAADRP C[C@@H](C[NH2+]CC(N)=O)N(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001496229459 893514115 /nfs/dbraw/zinc/51/41/15/893514115.db2.gz IEGWRTPXXVOSMU-VHSXEESVSA-N 2 0 256.350 -1.140 20 0 CAADRP CNC(=O)C[NH2+]C[C@H](O)CNC(=O)C1([NH+](C)C)CCC1 ZINC001496995495 893577688 /nfs/dbraw/zinc/57/76/88/893577688.db2.gz JQJXXHXEJNJRTH-JTQLQIEISA-N 2 0 286.376 -1.717 20 0 CAADRP C[C@H]([NH2+]C[C@@H](O)CNC(=O)CC[NH+](C)C)C(=O)N(C)C ZINC001497048157 893591129 /nfs/dbraw/zinc/59/11/29/893591129.db2.gz PZNKXYMTMATGPT-WDEREUQCSA-N 2 0 288.392 -1.519 20 0 CAADRP C[C@@H](O)C[NH2+]C[C@@H](O)CNC(=O)C1CC[NH+](C)CC1 ZINC001497045545 893591189 /nfs/dbraw/zinc/59/11/89/893591189.db2.gz FSSHYLKXSFOUPE-ZYHUDNBSSA-N 2 0 273.377 -1.224 20 0 CAADRP CNC(=O)C[NH2+]C[C@@H](O)CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001497091013 893602231 /nfs/dbraw/zinc/60/22/31/893602231.db2.gz CXCOZJIHBFCIRB-WDEREUQCSA-N 2 0 286.376 -1.859 20 0 CAADRP O=C(C[NH+]1CCCC1)NC[C@H](O)C[NH2+]CCn1cncn1 ZINC001497112637 893604329 /nfs/dbraw/zinc/60/43/29/893604329.db2.gz VLCLCJFYMWZSSV-GFCCVEGCSA-N 2 0 296.375 -1.559 20 0 CAADRP CNC(=O)[C@H](C)[NH2+]C[C@@H](O)CNC(=O)C12CC[NH+](CC1)C2 ZINC001497092327 893605597 /nfs/dbraw/zinc/60/55/97/893605597.db2.gz QLYIWMWZUQXOEI-WDEREUQCSA-N 2 0 298.387 -1.717 20 0 CAADRP CCN(CC[NH2+]CC(=O)NC(N)=O)C(=O)C[NH+]1CCCC1 ZINC001497495358 893620528 /nfs/dbraw/zinc/62/05/28/893620528.db2.gz FIEDJLXFLLFXQR-UHFFFAOYSA-N 2 0 299.375 -1.285 20 0 CAADRP C[N@@H+]1CCC[C@@H]1C(=O)NC/C=C\C[NH2+]CC(N)=O ZINC001497650616 893628029 /nfs/dbraw/zinc/62/80/29/893628029.db2.gz QVMLYFFUDRBZJP-MXQLGCADSA-N 2 0 254.334 -1.172 20 0 CAADRP NC(=O)NC(=O)C[NH2+]C/C=C\CNC(=O)C[NH+]1CCCC1 ZINC001497750148 893630641 /nfs/dbraw/zinc/63/06/41/893630641.db2.gz PVLWBRPSDFVNIQ-UPHRSURJSA-N 2 0 297.359 -1.461 20 0 CAADRP CC[C@@H](C(=O)NC/C=C/C[NH2+]CC(=O)NC(N)=O)[NH+](C)C ZINC001497727014 893631569 /nfs/dbraw/zinc/63/15/69/893631569.db2.gz LCGPYWGNMILARN-PORFMDCZSA-N 2 0 299.375 -1.217 20 0 CAADRP C[C@H](C[NH2+]CC(=O)NC(N)=O)NC(=O)C1([NH+](C)C)CCC1 ZINC001497828119 893638878 /nfs/dbraw/zinc/63/88/78/893638878.db2.gz TUTJECDIDZERHG-SECBINFHSA-N 2 0 299.375 -1.240 20 0 CAADRP C[C@H](C[NH2+][C@@H](C)C(=O)NC(N)=O)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001497877373 893639314 /nfs/dbraw/zinc/63/93/14/893639314.db2.gz NGGQUHRFQILHOZ-KXUCPTDWSA-N 2 0 299.375 -1.242 20 0 CAADRP CNC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001497984121 893644596 /nfs/dbraw/zinc/64/45/96/893644596.db2.gz UXVJOZMULIZGFC-ZJUUUORDSA-N 2 0 256.350 -1.222 20 0 CAADRP CNC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001497984119 893645969 /nfs/dbraw/zinc/64/59/69/893645969.db2.gz UXVJOZMULIZGFC-NXEZZACHSA-N 2 0 256.350 -1.222 20 0 CAADRP C[N@@H+]1CC[C@H](C(=O)N[C@H](C[NH2+]CC(N)=O)C2CC2)C1 ZINC001498860602 893694037 /nfs/dbraw/zinc/69/40/37/893694037.db2.gz AKYUKXCSFWRJHH-WDEREUQCSA-N 2 0 268.361 -1.092 20 0 CAADRP CCC[N@H+](C)CC(=O)NC[C@@]1(O)CC[NH+](CCO)C1 ZINC001500754132 893751374 /nfs/dbraw/zinc/75/13/74/893751374.db2.gz MAIJPRUWGRLENX-ZDUSSCGKSA-N 2 0 273.377 -1.127 20 0 CAADRP CCC[N@H+](C)CC(=O)NC[C@]1(O)CC[NH+](CCO)C1 ZINC001500754131 893752463 /nfs/dbraw/zinc/75/24/63/893752463.db2.gz MAIJPRUWGRLENX-CYBMUJFWSA-N 2 0 273.377 -1.127 20 0 CAADRP C[N@@H+]1CC[C@H](CC(=O)NC[C@]2(O)CC[NH+](CCO)C2)C1 ZINC001500751738 893753304 /nfs/dbraw/zinc/75/33/04/893753304.db2.gz ZBABAKMZILISJM-TZMCWYRMSA-N 2 0 285.388 -1.127 20 0 CAADRP C[NH+](C)C1(C(=O)N(CCO)CC[NH2+]CC(N)=O)CCC1 ZINC001501462820 893806475 /nfs/dbraw/zinc/80/64/75/893806475.db2.gz ZIOXRCCPZULEMY-UHFFFAOYSA-N 2 0 286.376 -1.634 20 0 CAADRP C[N@@H+]1CC[C@@H](C(=O)N(CCO)CC[NH2+][C@H]2CCNC2=O)C1 ZINC001501511239 893813778 /nfs/dbraw/zinc/81/37/78/893813778.db2.gz HLHGDQYBZFELJT-NEPJUHHUSA-N 2 0 298.387 -1.763 20 0 CAADRP C[N@@H+]1CC[C@H](C(=O)N(CCO)CC[NH2+][C@@H]2CCNC2=O)C1 ZINC001501511240 893814353 /nfs/dbraw/zinc/81/43/53/893814353.db2.gz HLHGDQYBZFELJT-NWDGAFQWSA-N 2 0 298.387 -1.763 20 0 CAADRP C[C@@H]([NH2+]C[C@H]1CN(C(=O)C[NH+]2CCCC2)CCO1)C(N)=O ZINC001502091754 893839579 /nfs/dbraw/zinc/83/95/79/893839579.db2.gz AISZVXVRJGVBDP-NEPJUHHUSA-N 2 0 298.387 -1.227 20 0 CAADRP CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)CCO1 ZINC001502092099 893841901 /nfs/dbraw/zinc/84/19/01/893841901.db2.gz ICYHPRYBAFLSML-VXGBXAGGSA-N 2 0 298.387 -1.499 20 0 CAADRP C[C@H]([NH2+]C[C@@H]1CN(C(=O)C[NH+]2CCCC2)CCO1)C(N)=O ZINC001502091755 893842359 /nfs/dbraw/zinc/84/23/59/893842359.db2.gz AISZVXVRJGVBDP-NWDGAFQWSA-N 2 0 298.387 -1.227 20 0 CAADRP C[N@@H+]1CC[C@H](C(=O)NC2CC(C[NH2+]CC(N)=O)C2)C1 ZINC001505536113 893880559 /nfs/dbraw/zinc/88/05/59/893880559.db2.gz MWIJVFBDOPIJKT-YVNMAJEFSA-N 2 0 268.361 -1.092 20 0 CAADRP C[C@@H]([NH2+]CC(=O)NC(N)=O)[C@H](C)NC(=O)CC[NH+](C)C ZINC001505685119 893891314 /nfs/dbraw/zinc/89/13/14/893891314.db2.gz FBEUMANYGRELOL-BDAKNGLRSA-N 2 0 287.364 -1.384 20 0 CAADRP C[C@H]([NH2+]CC(N)=O)[C@H]1CN(C(=O)CC[NH+](C)C)CCO1 ZINC001506846809 893945685 /nfs/dbraw/zinc/94/56/85/893945685.db2.gz ZXGZJAJTBZNHJW-WDEREUQCSA-N 2 0 286.376 -1.371 20 0 CAADRP C[C@@H](CN(C)C(=O)C[NH+]1CCCC1)[NH2+]CC(=O)NC(N)=O ZINC001507154471 893963134 /nfs/dbraw/zinc/96/31/34/893963134.db2.gz NZZBCSMTOBELRY-JTQLQIEISA-N 2 0 299.375 -1.286 20 0 CAADRP C[NH+](C)CCCC(=O)NC[C@@H](CO)[NH2+][C@H]1CCNC1=O ZINC001507229711 894010073 /nfs/dbraw/zinc/01/00/73/894010073.db2.gz QFVBXIRAOYWJGP-QWRGUYRKSA-N 2 0 286.376 -1.717 20 0 CAADRP CN1CC[C@@H]([NH2+][C@H](CO)CNC(=O)CC[NH+](C)C)C1=O ZINC001507232106 894012007 /nfs/dbraw/zinc/01/20/07/894012007.db2.gz LYHNELTZEUBAGP-WDEREUQCSA-N 2 0 286.376 -1.765 20 0 CAADRP C[NH+]1CCC(OCC(=O)NC[C@H](CO)[NH2+]CCO)CC1 ZINC001507250007 894021618 /nfs/dbraw/zinc/02/16/18/894021618.db2.gz SFDCRKZKGPVGGD-LLVKDONJSA-N 2 0 289.376 -1.844 20 0 CAADRP C[NH+]1CCC(OCC(=O)NC[C@@H](CO)[NH2+]CCO)CC1 ZINC001507250010 894023869 /nfs/dbraw/zinc/02/38/69/894023869.db2.gz SFDCRKZKGPVGGD-NSHDSACASA-N 2 0 289.376 -1.844 20 0 CAADRP CN(C)C(=O)C[NH2+][C@@H](CO)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001507260780 894028565 /nfs/dbraw/zinc/02/85/65/894028565.db2.gz NPKHIUOPZCYGRK-WDEREUQCSA-N 2 0 286.376 -1.907 20 0 CAADRP O=C(C[NH+]1CCCC1)NC[C@H](CO)[NH2+][C@@H]1CCNC1=O ZINC001507262751 894031985 /nfs/dbraw/zinc/03/19/85/894031985.db2.gz ZSFQOBFUDMIBRN-GHMZBOCLSA-N 2 0 284.360 -1.963 20 0 CAADRP O=C(C[NH+]1CCCC1)NC[C@@H](CO)[NH2+][C@H]1CCNC1=O ZINC001507262756 894036559 /nfs/dbraw/zinc/03/65/59/894036559.db2.gz ZSFQOBFUDMIBRN-QWRGUYRKSA-N 2 0 284.360 -1.963 20 0 CAADRP CC(C)[C@@H](C(=O)N(C)C[C@H](O)C[NH2+]CCO)[NH+](C)C ZINC001507541087 894066951 /nfs/dbraw/zinc/06/69/51/894066951.db2.gz HZHYAOJRUPCORZ-NEPJUHHUSA-N 2 0 275.393 -1.026 20 0 CAADRP CN(CCOCC[NH2+]CC(N)=O)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001508172159 894086169 /nfs/dbraw/zinc/08/61/69/894086169.db2.gz CUXHQSPRYANOOR-NSHDSACASA-N 2 0 286.376 -1.370 20 0 CAADRP COC[C@H]([NH3+])C(=O)N1CCC(OC2C[NH2+]C2)CC1 ZINC001514934713 894185119 /nfs/dbraw/zinc/18/51/19/894185119.db2.gz SNQMLIURSPZKJI-NSHDSACASA-N 2 0 257.334 -1.061 20 0 CAADRP C[C@H](C[NH3+])N(C)C(=O)[C@H]1CC(=O)N(C2C[NH2+]C2)C1 ZINC001521152014 894200515 /nfs/dbraw/zinc/20/05/15/894200515.db2.gz MWWGXWWUTBWMAL-BDAKNGLRSA-N 2 0 254.334 -1.388 20 0 CAADRP C[C@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)NCCCN1CC[NH2+]CC1 ZINC001521145237 894200958 /nfs/dbraw/zinc/20/09/58/894200958.db2.gz QBDGRSDBZSRJDW-UONOGXRCSA-N 2 0 295.431 -1.214 20 0 CAADRP C[NH2+]C[C@@H](O)[C@@H](C)C(=O)NCCN1CC[NH2+]CC1 ZINC001521150587 894201447 /nfs/dbraw/zinc/20/14/47/894201447.db2.gz ARQXCVUORRGCEU-GHMZBOCLSA-N 2 0 258.366 -1.776 20 0 CAADRP C[NH2+]C[C@H](O)[C@H](C)C(=O)NCCN1CC[NH2+]CC1 ZINC001521150594 894201634 /nfs/dbraw/zinc/20/16/34/894201634.db2.gz ARQXCVUORRGCEU-QWRGUYRKSA-N 2 0 258.366 -1.776 20 0 CAADRP C[NH2+]C[C@H](O)[C@H](C)C(=O)NCCCN1CC[NH2+]CC1 ZINC001521145336 894202053 /nfs/dbraw/zinc/20/20/53/894202053.db2.gz SMBTXMNTJDGLQI-RYUDHWBXSA-N 2 0 272.393 -1.386 20 0 CAADRP C[C@H](C[NH3+])N(C)C(=O)[C@@H]1CC(=O)N(C2C[NH2+]C2)C1 ZINC001521152031 894202323 /nfs/dbraw/zinc/20/23/23/894202323.db2.gz MWWGXWWUTBWMAL-RKDXNWHRSA-N 2 0 254.334 -1.388 20 0 CAADRP CC(C)(C[NH3+])NC(=O)[C@H]1CC(=O)N(C2C[NH2+]C2)C1 ZINC001521152247 894203450 /nfs/dbraw/zinc/20/34/50/894203450.db2.gz RRBVKXQZAGJVDU-QMMMGPOBSA-N 2 0 254.334 -1.340 20 0 CAADRP CC[NH2+][C@H](C)CNC(=O)[C@@H]1CC(=O)N(C2C[NH2+]C2)C1 ZINC001521534196 894208031 /nfs/dbraw/zinc/20/80/31/894208031.db2.gz SXXTVVLLKWXTPN-NXEZZACHSA-N 2 0 268.361 -1.079 20 0 CAADRP [NH3+][C@H](CNC(=O)[C@H]1CC(=O)N(C2C[NH2+]C2)C1)C1CC1 ZINC001521508519 894208607 /nfs/dbraw/zinc/20/86/07/894208607.db2.gz VWHRGIROMBKRSW-GXSJLCMTSA-N 2 0 266.345 -1.340 20 0 CAADRP COCC[NH2+]CCNC(=O)C[C@]1(O)CCC[NH2+]C1 ZINC001521511767 894209778 /nfs/dbraw/zinc/20/97/78/894209778.db2.gz COYPYVXCIFZJPV-GFCCVEGCSA-N 2 0 259.350 -1.157 20 0 CAADRP CC(C)[C@@H]([NH3+])C(=O)NCCC(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001521546005 894210038 /nfs/dbraw/zinc/21/00/38/894210038.db2.gz AMQOETKCNQKAIU-DMWPJOQESA-N 2 0 268.361 -1.190 20 0 CAADRP C[C@]1(C(=O)N2CCCO[C@H](C[NH3+])C2)C[C@@H](O)C[NH2+]1 ZINC001521698632 894212418 /nfs/dbraw/zinc/21/24/18/894212418.db2.gz SNFFNFYMUQBINX-CKYFFXLPSA-N 2 0 257.334 -1.325 20 0 CAADRP O=C(N[C@H]1CC[NH2+]C1)[C@H]1CC(=O)N(C2C[NH2+]C2)C1 ZINC001521957103 894213381 /nfs/dbraw/zinc/21/33/81/894213381.db2.gz RZVITEJSTZHJMJ-IUCAKERBSA-N 2 0 252.318 -1.715 20 0 CAADRP C[NH+](C)CCn1cc(NC(=O)CNCC[NH3+])cn1 ZINC001521859572 894213639 /nfs/dbraw/zinc/21/36/39/894213639.db2.gz YTJNLSBWKDHIMT-UHFFFAOYSA-N 2 0 254.338 -1.069 20 0 CAADRP O=C(N[C@H]1CC[NH2+]C1)[C@@H]1CC(=O)N(C2C[NH2+]C2)C1 ZINC001521957101 894213822 /nfs/dbraw/zinc/21/38/22/894213822.db2.gz RZVITEJSTZHJMJ-BDAKNGLRSA-N 2 0 252.318 -1.715 20 0 CAADRP O=C(C[C@@]1(O)CCC[NH2+]C1)N[C@@H]1COC2(C[NH2+]C2)C1 ZINC001521971039 894214089 /nfs/dbraw/zinc/21/40/89/894214089.db2.gz CLLNXPYHXJSDRI-JQWIXIFHSA-N 2 0 269.345 -1.262 20 0 CAADRP C[C@]1(C(=O)N2CCC[C@]([NH3+])(CO)C2)C[C@@H](O)C[NH2+]1 ZINC001523010452 894260627 /nfs/dbraw/zinc/26/06/27/894260627.db2.gz RKRXDHKZJSJHIZ-YUSALJHKSA-N 2 0 257.334 -1.589 20 0 CAADRP C[NH2+]C[C@@H](O)[C@@H](C)C(=O)N1CCNCC[NH2+]CC1 ZINC001522984062 894263454 /nfs/dbraw/zinc/26/34/54/894263454.db2.gz PGCMLAGZAGLMEK-GHMZBOCLSA-N 2 0 258.366 -1.776 20 0 CAADRP COCC[NH2+]CC(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCN1C ZINC001524029475 894275011 /nfs/dbraw/zinc/27/50/11/894275011.db2.gz NLIZASCNXANLMH-RYUDHWBXSA-N 2 0 272.393 -1.027 20 0 CAADRP [NH3+][C@H]1C[C@H](NC(=O)[C@H]2CC(=O)N(C3C[NH2+]C3)C2)C1 ZINC001524168220 894278557 /nfs/dbraw/zinc/27/85/57/894278557.db2.gz JGZOPUFGFYEXHP-CIUDSAMLSA-N 2 0 252.318 -1.587 20 0 CAADRP [NH3+][C@H]1C[C@H](NC(=O)[C@@H]2CC(=O)N(C3C[NH2+]C3)C2)C1 ZINC001524168222 894278592 /nfs/dbraw/zinc/27/85/92/894278592.db2.gz JGZOPUFGFYEXHP-IWSPIJDZSA-N 2 0 252.318 -1.587 20 0 CAADRP O=C(NC[C@H]1C[NH2+]CCO1)C1=NO[C@@]2(C1)CCC[NH2+]C2 ZINC001548562439 894485697 /nfs/dbraw/zinc/48/56/97/894485697.db2.gz OTPUYZJMMRPVJM-ZWNOBZJWSA-N 2 0 282.344 -1.011 20 0 CAADRP CCO[C@@H]1CN(C(=O)[C@@H]2C[NH2+]CCN2C)C[C@H]1C[NH3+] ZINC001548566565 894486534 /nfs/dbraw/zinc/48/65/34/894486534.db2.gz XBVIBFYJSOSRNV-GRYCIOLGSA-N 2 0 270.377 -1.288 20 0 CAADRP CN1CC[NH2+]C[C@H]1CNC(=O)C[C@]1(O)CCC[NH2+]C1 ZINC001548558824 894487035 /nfs/dbraw/zinc/48/70/35/894487035.db2.gz LAFHVWSFFLYSNE-WCQYABFASA-N 2 0 270.377 -1.489 20 0 CAADRP CN1CC[NH2+]C[C@H]1CNC(=O)C1=NO[C@]2(C1)CCC[NH2+]C2 ZINC001548558220 894487123 /nfs/dbraw/zinc/48/71/23/894487123.db2.gz GPTBLLXEPBSUBH-FZMZJTMJSA-N 2 0 295.387 -1.095 20 0 CAADRP CCO[C@@H]1CN(C(=O)[C@H]2C[NH2+]CCN2C)C[C@H]1C[NH3+] ZINC001548566567 894487297 /nfs/dbraw/zinc/48/72/97/894487297.db2.gz XBVIBFYJSOSRNV-IJLUTSLNSA-N 2 0 270.377 -1.288 20 0 CAADRP CN1CC[NH2+]C[C@H]1CNC(=O)C1=NOC2(C1)CC[NH2+]CC2 ZINC001548558775 894487566 /nfs/dbraw/zinc/48/75/66/894487566.db2.gz JPAYCUDBDXPXPB-NSHDSACASA-N 2 0 295.387 -1.095 20 0 CAADRP O=C(C[C@@H]1COCC[NH2+]1)N1CCC[C@@H]([NH2+]CCO)C1 ZINC001548575136 894488600 /nfs/dbraw/zinc/48/86/00/894488600.db2.gz XORSDVXPZGPIHR-VXGBXAGGSA-N 2 0 271.361 -1.062 20 0 CAADRP CCO[C@H]1C[C@@]([NH3+])(C(=O)N[C@@H]2C[NH2+]C[C@@H]2O)C1(C)C ZINC001548573693 894488696 /nfs/dbraw/zinc/48/86/96/894488696.db2.gz VATPNTXYCZSKIT-KEPMVKOISA-N 2 0 271.361 -1.032 20 0 CAADRP O=C(C[C@H]1C[NH2+]CCO1)N1CCC[C@H]([NH2+]CCO)C1 ZINC001548574600 894489186 /nfs/dbraw/zinc/48/91/86/894489186.db2.gz NHDSKETVHBEGPX-RYUDHWBXSA-N 2 0 271.361 -1.062 20 0 CAADRP C[NH2+]C[C@@H](O)CN(C)C(=O)C1=NO[C@]2(C1)CCC[NH2+]C2 ZINC001548575932 894489330 /nfs/dbraw/zinc/48/93/30/894489330.db2.gz KMVYPFBBUIOTPK-MFKMUULPSA-N 2 0 284.360 -1.076 20 0 CAADRP CCO[C@H]1C[C@]([NH3+])(C(=O)N[C@@H]2C[NH2+]C[C@@H]2O)C1(C)C ZINC001548573694 894489335 /nfs/dbraw/zinc/48/93/35/894489335.db2.gz VATPNTXYCZSKIT-QYTUQVAYSA-N 2 0 271.361 -1.032 20 0 CAADRP O=C(C[C@H]1COCC[NH2+]1)N1CCC[C@H]([NH2+]CCO)C1 ZINC001548575135 894489357 /nfs/dbraw/zinc/48/93/57/894489357.db2.gz XORSDVXPZGPIHR-RYUDHWBXSA-N 2 0 271.361 -1.062 20 0 CAADRP C[NH+](C)CCN1C[C@@H](C(=O)N[C@@H]2C[NH2+]C[C@@H]2O)CC1=O ZINC001548573095 894489584 /nfs/dbraw/zinc/48/95/84/894489584.db2.gz VJSLRJBFEHVYRU-AXFHLTTASA-N 2 0 284.360 -2.155 20 0 CAADRP C[NH2+]C[C@@H](O)CN(C)C(=O)C1=NO[C@@]2(C1)CCC[NH2+]C2 ZINC001548575935 894489673 /nfs/dbraw/zinc/48/96/73/894489673.db2.gz KMVYPFBBUIOTPK-ZWNOBZJWSA-N 2 0 284.360 -1.076 20 0 CAADRP O=C(N[C@H]1C[NH2+]C[C@H]1O)c1cnn([C@@H]2CCC[NH2+]C2)c1 ZINC001548573238 894489684 /nfs/dbraw/zinc/48/96/84/894489684.db2.gz JFTBRPSABYQWBO-GRYCIOLGSA-N 2 0 279.344 -1.130 20 0 CAADRP O=C(N1CCC[C@H]([NH2+]CCO)C1)[C@]12C[NH2+]C[C@H]1COC2 ZINC001548575051 894490139 /nfs/dbraw/zinc/49/01/39/894490139.db2.gz VMPBPHDUTMVTCJ-OBJOEFQTSA-N 2 0 283.372 -1.205 20 0 CAADRP CN1CC[NH2+]C[C@@H]1C(=O)N1CC2(C[NH2+]C2)OC(C)(C)C1 ZINC001548577147 894490192 /nfs/dbraw/zinc/49/01/92/894490192.db2.gz YFIUOJJPINVODP-LLVKDONJSA-N 2 0 282.388 -1.131 20 0 CAADRP C[NH2+]C[C@H](O)CN(C)C(=O)C1=NO[C@]2(C1)CCC[NH2+]C2 ZINC001548575928 894490467 /nfs/dbraw/zinc/49/04/67/894490467.db2.gz KMVYPFBBUIOTPK-GWCFXTLKSA-N 2 0 284.360 -1.076 20 0 CAADRP O=C(N1CCC[C@@H]([NH2+]CCO)C1)[C@]12C[NH2+]C[C@H]1CCO2 ZINC001548574625 894490483 /nfs/dbraw/zinc/49/04/83/894490483.db2.gz HCIBOASTKOFXGC-BZPMIXESSA-N 2 0 283.372 -1.062 20 0 CAADRP C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)NCC[NH+]1CCC(O)CC1 ZINC001548715823 894498255 /nfs/dbraw/zinc/49/82/55/894498255.db2.gz SQEYOJYOXIXHCP-OCCSQVGLSA-N 2 0 296.415 -1.052 20 0 CAADRP C[C@H]1CN2CC[N@@H+]1C[C@H]2C(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC001548726880 894499863 /nfs/dbraw/zinc/49/98/63/894499863.db2.gz OLDGGXWSWBTPDH-FQUUOJAGSA-N 2 0 294.399 -1.348 20 0 CAADRP C[C@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)NCC[NH+]1CCC(O)CC1 ZINC001548715818 894500035 /nfs/dbraw/zinc/50/00/35/894500035.db2.gz SQEYOJYOXIXHCP-GXTWGEPZSA-N 2 0 296.415 -1.052 20 0 CAADRP C[C@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)NCC[NH+]1CC[C@H](O)C1 ZINC001548733649 894502217 /nfs/dbraw/zinc/50/22/17/894502217.db2.gz BRYAXHQTMCCCLD-RWMBFGLXSA-N 2 0 282.388 -1.443 20 0 CAADRP C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)N1CC[C@@](O)(C[NH+](C)C)C1 ZINC001548745527 894502683 /nfs/dbraw/zinc/50/26/83/894502683.db2.gz QEMAJRHGKAMGCK-VNHYZAJKSA-N 2 0 296.415 -1.100 20 0 CAADRP C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)NCC[NH+]1CC[C@H](O)C1 ZINC001548733646 894503147 /nfs/dbraw/zinc/50/31/47/894503147.db2.gz BRYAXHQTMCCCLD-AGIUHOORSA-N 2 0 282.388 -1.443 20 0 CAADRP C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)N1CC[C@](O)(C[NH+](C)C)C1 ZINC001548745522 894503246 /nfs/dbraw/zinc/50/32/46/894503246.db2.gz QEMAJRHGKAMGCK-NFAWXSAZSA-N 2 0 296.415 -1.100 20 0 CAADRP O=C(NC[C@H]1C[NH2+]CCCO1)c1cn([C@H]2CC[NH2+]C2)nn1 ZINC001548938817 894504012 /nfs/dbraw/zinc/50/40/12/894504012.db2.gz KNAUNGDFJIXAAA-WDEREUQCSA-N 2 0 294.359 -1.079 20 0 CAADRP C[NH+](C)C[C@]1(O)CCN(C(=O)[C@@]2(C)C[C@@H](O)C[N@@H+]2C)C1 ZINC001548749946 894504964 /nfs/dbraw/zinc/50/49/64/894504964.db2.gz GTEASAUMXJYQKV-MRVWCRGKSA-N 2 0 285.388 -1.034 20 0 CAADRP CO[C@H](C[NH3+])CC(=O)N1CC[C@H]2OCC[NH2+][C@H]2C1 ZINC001549045074 894506286 /nfs/dbraw/zinc/50/62/86/894506286.db2.gz TVUXRYTZJDZLBN-GARJFASQSA-N 2 0 257.334 -1.061 20 0 CAADRP O=C([C@@H]1C[C@@H](O)C[NH2+]1)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC001549046302 894506364 /nfs/dbraw/zinc/50/63/64/894506364.db2.gz SRDXNWYTTKYRDW-UTUOFQBUSA-N 2 0 268.361 -1.785 20 0 CAADRP Cn1ccnc1[C@H]1C[NH2+]CCN1CC(=O)N1CC[NH2+]CC1 ZINC001549041491 894506494 /nfs/dbraw/zinc/50/64/94/894506494.db2.gz PIXVVRKZKTWJSR-GFCCVEGCSA-N 2 0 292.387 -1.202 20 0 CAADRP O=C(C[C@@H]1C[NH2+]CCO1)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC001549044510 894507064 /nfs/dbraw/zinc/50/70/64/894507064.db2.gz SGNNUUSSSMLWDR-CHWSQXEVSA-N 2 0 282.388 -1.129 20 0 CAADRP COC[C@@H]([NH3+])C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC001549045666 894507132 /nfs/dbraw/zinc/50/71/32/894507132.db2.gz GFSRREKLLJVPRK-WDEREUQCSA-N 2 0 256.350 -1.534 20 0 CAADRP O=C([C@@H]1C[C@H](O)C[NH2+]1)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC001549046303 894507169 /nfs/dbraw/zinc/50/71/69/894507169.db2.gz SRDXNWYTTKYRDW-WOPDTQHZSA-N 2 0 268.361 -1.785 20 0 CAADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CC[C@H]2OCC[NH2+][C@@H]2C1 ZINC001549045006 894507178 /nfs/dbraw/zinc/50/71/78/894507178.db2.gz OQKZQDFRTSELKY-WZRBSPASSA-N 2 0 298.387 -1.325 20 0 CAADRP O=C(C[C@@H]1C[NH2+]CCO1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC001549044512 894507255 /nfs/dbraw/zinc/50/72/55/894507255.db2.gz SGNNUUSSSMLWDR-QWHCGFSZSA-N 2 0 282.388 -1.129 20 0 CAADRP O=C(C[C@H]1COCC[NH2+]1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC001549045722 894507328 /nfs/dbraw/zinc/50/73/28/894507328.db2.gz HIEQUTJFNXHENW-STQMWFEESA-N 2 0 282.388 -1.129 20 0 CAADRP CO[C@H](C[NH3+])CC(=O)N1CC[C@@H]2OCC[NH2+][C@H]2C1 ZINC001549045073 894507471 /nfs/dbraw/zinc/50/74/71/894507471.db2.gz TVUXRYTZJDZLBN-DCAQKATOSA-N 2 0 257.334 -1.061 20 0 CAADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CC[C@@H]2OCC[NH2+][C@H]2C1 ZINC001549045003 894507693 /nfs/dbraw/zinc/50/76/93/894507693.db2.gz OQKZQDFRTSELKY-GVXVVHGQSA-N 2 0 298.387 -1.325 20 0 CAADRP O=C([C@@H]1C[NH2+]CCO1)N1CC[C@@H]2OCC[NH2+][C@@H]2C1 ZINC001549044831 894508094 /nfs/dbraw/zinc/50/80/94/894508094.db2.gz KWUIFHATNKTRLQ-VWYCJHECSA-N 2 0 255.318 -1.436 20 0 CAADRP O=C(CCNC(=O)[C@H]1CCC[NH2+]1)NC[C@H]1C[NH2+]CCCO1 ZINC001549046105 894508126 /nfs/dbraw/zinc/50/81/26/894508126.db2.gz HALYPFPDUFZMEY-VXGBXAGGSA-N 2 0 298.387 -1.261 20 0 CAADRP O=C(C[C@@H]1COCC[NH2+]1)N1CC[C@H]2OCC[NH2+][C@@H]2C1 ZINC001549044769 894508175 /nfs/dbraw/zinc/50/81/75/894508175.db2.gz DPAVJUNAOYJQRG-IJLUTSLNSA-N 2 0 269.345 -1.046 20 0 CAADRP O=C(C[C@@H]1C[NH2+]CCO1)N1CC[C@H]2OCC[NH2+][C@@H]2C1 ZINC001549045388 894509104 /nfs/dbraw/zinc/50/91/04/894509104.db2.gz VKLWWCUWKLBSDZ-IJLUTSLNSA-N 2 0 269.345 -1.046 20 0 CAADRP O=C(CNC(=O)[C@H]1CCC[NH2+]1)NC[C@@H]1C[NH2+]CCCO1 ZINC001549046388 894509815 /nfs/dbraw/zinc/50/98/15/894509815.db2.gz UAPAEEFKYRGFPM-WDEREUQCSA-N 2 0 284.360 -1.651 20 0 CAADRP O=C(CN1CC[C@@H]2OCC[NH2+][C@@H]2C1)N1CC[NH2+]CC1 ZINC001549112927 894509852 /nfs/dbraw/zinc/50/98/52/894509852.db2.gz IEZNTWISTFXJSX-NEPJUHHUSA-N 2 0 268.361 -1.519 20 0 CAADRP [NH3+]C[C@@H]1CN(C(=O)[C@@]23C[NH2+]C[C@H]2COC3)CCCO1 ZINC001549124863 894509948 /nfs/dbraw/zinc/50/99/48/894509948.db2.gz XCWSYFPJSWXXEU-DMDPSCGWSA-N 2 0 269.345 -1.201 20 0 CAADRP O=C(NC[C@@H]1C[NH2+]CCCO1)N1CC[N@@H+]2C[C@@H](O)C[C@H]2C1 ZINC001549176896 894510201 /nfs/dbraw/zinc/51/02/01/894510201.db2.gz ZVXDOYLTNAERTL-AVGNSLFASA-N 2 0 298.387 -1.175 20 0 CAADRP [NH3+]CC(=O)NCC(=O)Nc1nc2c(s1)C[C@H]([NH3+])CC2 ZINC001549046618 894510398 /nfs/dbraw/zinc/51/03/98/894510398.db2.gz XXBQKQCFPKCTTJ-ZCFIWIBFSA-N 2 0 283.357 -1.028 20 0 CAADRP [NH3+]Cc1cn([C@H]2CCCN(C(=O)[C@@H]3C[NH2+]CCO3)C2)nn1 ZINC001549046945 894510476 /nfs/dbraw/zinc/51/04/76/894510476.db2.gz DYIHZCKEIDDFNT-RYUDHWBXSA-N 2 0 294.359 -1.111 20 0 CAADRP O=C(CN1CC[C@H]2OCC[NH2+][C@H]2C1)N1CC[NH2+]CC1 ZINC001549112928 894510706 /nfs/dbraw/zinc/51/07/06/894510706.db2.gz IEZNTWISTFXJSX-NWDGAFQWSA-N 2 0 268.361 -1.519 20 0 CAADRP [NH3+]CC(=O)NCC(=O)N1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC001549047295 894510972 /nfs/dbraw/zinc/51/09/72/894510972.db2.gz NRCXTQVSVRXDGT-SMDDNHRTSA-N 2 0 298.387 -1.194 20 0 CAADRP [NH3+]C[C@H]1CN(C(=O)CNC(=O)[C@H]2CCC[NH2+]2)CCCO1 ZINC001549049087 894511374 /nfs/dbraw/zinc/51/13/74/894511374.db2.gz HEMFNKJBNPPICJ-WDEREUQCSA-N 2 0 284.360 -1.569 20 0 CAADRP Cn1cc([C@@H]2CN(C(=O)[C@H]3C[NH2+]CCO3)C[C@@H]2[NH3+])cn1 ZINC001549048018 894511383 /nfs/dbraw/zinc/51/13/83/894511383.db2.gz CBIJYOWEGFHKCM-SDDRHHMPSA-N 2 0 279.344 -1.338 20 0 CAADRP [NH3+]CC(=O)NCC(=O)N1C[C@H]2CCC[C@@]2(C[NH3+])C1 ZINC001549128429 894512209 /nfs/dbraw/zinc/51/22/09/894512209.db2.gz MFAGPBXVAXBXRL-BXKDBHETSA-N 2 0 254.334 -1.351 20 0 CAADRP [NH3+]Cc1cn([C@@H]2CCCN(C(=O)[C@H]3C[NH2+]CCO3)C2)nn1 ZINC001549046946 894512436 /nfs/dbraw/zinc/51/24/36/894512436.db2.gz DYIHZCKEIDDFNT-VXGBXAGGSA-N 2 0 294.359 -1.111 20 0 CAADRP [NH3+]CC(=O)NCC(=O)N1C[C@@H]2CCC[C@@]2(C[NH3+])C1 ZINC001549128432 894512767 /nfs/dbraw/zinc/51/27/67/894512767.db2.gz MFAGPBXVAXBXRL-JOYOIKCWSA-N 2 0 254.334 -1.351 20 0 CAADRP C[C@@H]1C[NH2+]C[C@@H](C(=O)N2CCCO[C@H](C[NH3+])C2)O1 ZINC001549288109 894513834 /nfs/dbraw/zinc/51/38/34/894513834.db2.gz GIQSBYQXKWWDBZ-MXWKQRLJSA-N 2 0 257.334 -1.061 20 0 CAADRP [NH3+]C[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC001549291092 894514279 /nfs/dbraw/zinc/51/42/79/894514279.db2.gz XLGMSTINEPNJHS-AGIUHOORSA-N 2 0 282.388 -1.144 20 0 CAADRP [NH3+]C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC001549291094 894514781 /nfs/dbraw/zinc/51/47/81/894514781.db2.gz XLGMSTINEPNJHS-UPJWGTAASA-N 2 0 282.388 -1.144 20 0 CAADRP C[C@@H]1C[NH2+]C[C@@H](C(=O)N2CCCO[C@@H](C[NH3+])C2)O1 ZINC001549288111 894515399 /nfs/dbraw/zinc/51/53/99/894515399.db2.gz GIQSBYQXKWWDBZ-VWYCJHECSA-N 2 0 257.334 -1.061 20 0 CAADRP [NH3+]C[C@@H]1CCO[C@@H]1C(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC001549290757 894515687 /nfs/dbraw/zinc/51/56/87/894515687.db2.gz FSEFLIFNORCSIW-XQQFMLRXSA-N 2 0 282.388 -1.144 20 0 CAADRP CC(=O)N1CC[C@]([NH3+])(C(=O)NCC23CC(C2)C[NH2+]3)C1 ZINC001549299678 894515897 /nfs/dbraw/zinc/51/58/97/894515897.db2.gz BUFFDSCPFGAPIY-KGPNIALWSA-N 2 0 266.345 -1.196 20 0 CAADRP CC(=O)N1CC[C@]([NH3+])(C(=O)N2CC3CC2(C[NH3+])C3)C1 ZINC001549298296 894515938 /nfs/dbraw/zinc/51/59/38/894515938.db2.gz KKKCNXWWKAIJHR-KGPNIALWSA-N 2 0 266.345 -1.114 20 0 CAADRP CC(=O)N1CC[C@@]([NH3+])(C(=O)NCC23CC(C2)C[NH2+]3)C1 ZINC001549299675 894515996 /nfs/dbraw/zinc/51/59/96/894515996.db2.gz BUFFDSCPFGAPIY-GDKBPFBDSA-N 2 0 266.345 -1.196 20 0 CAADRP [NH3+]C[C@@H]1CCO[C@H]1C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC001549291264 894516049 /nfs/dbraw/zinc/51/60/49/894516049.db2.gz ABQXDBMWUPZZNP-HBNTYKKESA-N 2 0 257.334 -1.155 20 0 CAADRP [NH3+]C[C@@H]1CCO[C@@H]1C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC001549291256 894516199 /nfs/dbraw/zinc/51/61/99/894516199.db2.gz ABQXDBMWUPZZNP-AXFHLTTASA-N 2 0 257.334 -1.155 20 0 CAADRP C[NH+](C)[C@H]1CN(c2nc(N)[nH+]c(N)n2)C[C@H]1n1ccnn1 ZINC001549560591 894517582 /nfs/dbraw/zinc/51/75/82/894517582.db2.gz VQKSWRXRSVKSDL-JGVFFNPUSA-N 2 0 290.335 -1.381 20 0 CAADRP [NH3+]CC(=O)N[C@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1 ZINC001549729027 894521410 /nfs/dbraw/zinc/52/14/10/894521410.db2.gz XDRWYLFLFQBJPC-JOYOIKCWSA-N 2 0 254.334 -1.292 20 0 CAADRP C[NH2+]CC(=O)N[C@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC001549728969 894521441 /nfs/dbraw/zinc/52/14/41/894521441.db2.gz WCEXZKBXDGMNKS-GWCFXTLKSA-N 2 0 268.361 -1.031 20 0 CAADRP Cn1cnc([C@@H]2CN(C(=O)[C@@H]3C[NH2+]CCOC3)C[C@H]2[NH3+])c1 ZINC001549745327 894521530 /nfs/dbraw/zinc/52/15/30/894521530.db2.gz YBUYQVCAURELOT-IJLUTSLNSA-N 2 0 293.371 -1.091 20 0 CAADRP Cn1cnc([C@@H]2CN(C(=O)[C@@H]3C[NH2+]CCO3)C[C@@H]2[NH3+])c1 ZINC001549735433 894521568 /nfs/dbraw/zinc/52/15/68/894521568.db2.gz KSBKRVKOIGDTSN-SCVCMEIPSA-N 2 0 279.344 -1.338 20 0 CAADRP Cn1cnc([C@@H]2CN(C(=O)CN3CC[NH2+]CC3)C[C@H]2[NH3+])c1 ZINC001549737906 894521838 /nfs/dbraw/zinc/52/18/38/894521838.db2.gz PEVJYJPKVUVGKK-VXGBXAGGSA-N 2 0 292.387 -1.422 20 0 CAADRP Cn1cnc([C@@H]2CN(C(=O)C3(O)C[NH2+]C3)C[C@H]2[NH3+])c1 ZINC001549739936 894522533 /nfs/dbraw/zinc/52/25/33/894522533.db2.gz VKEZTLLZZRTBKM-RKDXNWHRSA-N 2 0 265.317 -1.993 20 0 CAADRP Cn1cnc([C@@H]2CN(C(=O)CN3CC[NH2+]CC3)C[C@@H]2[NH3+])c1 ZINC001549737888 894522675 /nfs/dbraw/zinc/52/26/75/894522675.db2.gz PEVJYJPKVUVGKK-NEPJUHHUSA-N 2 0 292.387 -1.422 20 0 CAADRP Cn1cnc([C@@H]2CN(C(=O)[C@@H]3C[NH2+]CCOC3)C[C@@H]2[NH3+])c1 ZINC001549745332 894523019 /nfs/dbraw/zinc/52/30/19/894523019.db2.gz YBUYQVCAURELOT-UTUOFQBUSA-N 2 0 293.371 -1.091 20 0 CAADRP Cn1cnc([C@@H]2CN(C(=O)C3(O)C[NH2+]C3)C[C@@H]2[NH3+])c1 ZINC001549739925 894523451 /nfs/dbraw/zinc/52/34/51/894523451.db2.gz VKEZTLLZZRTBKM-BDAKNGLRSA-N 2 0 265.317 -1.993 20 0 CAADRP [NH3+][C@@H]1CCO[C@@H]1C(=O)N1CC[C@@H]2OCC[NH2+][C@H]2C1 ZINC001550060718 894524593 /nfs/dbraw/zinc/52/45/93/894524593.db2.gz NATHQKLZPAHXIT-RCWTZXSCSA-N 2 0 255.318 -1.308 20 0 CAADRP Cn1cc([C@H]2CN(C(=O)CN3CC[NH2+]CC3)C[C@@H]2[NH3+])cn1 ZINC001550067745 894525403 /nfs/dbraw/zinc/52/54/03/894525403.db2.gz UJMXUSZDAQFOIJ-OLZOCXBDSA-N 2 0 292.387 -1.422 20 0 CAADRP C[NH+]1CCN([C@@H]2CCN(C(=O)[C@H]3OCC[C@@H]3[NH3+])C2)CC1 ZINC001550115778 894528972 /nfs/dbraw/zinc/52/89/72/894528972.db2.gz FXEPSMFFNDMNCC-AGIUHOORSA-N 2 0 282.388 -1.049 20 0 CAADRP [NH3+]Cc1cn([C@H]2CCN(C(=O)[C@H]3C[NH2+]CCOC3)C2)nn1 ZINC001550095110 894529058 /nfs/dbraw/zinc/52/90/58/894529058.db2.gz GHROINLZKNFKMG-JQWIXIFHSA-N 2 0 294.359 -1.254 20 0 CAADRP C[C@@H]1C[NH2+]C[C@H](C(=O)NCc2cn([C@@H]3CC[NH2+]C3)nn2)O1 ZINC001550088323 894529206 /nfs/dbraw/zinc/52/92/06/894529206.db2.gz SKYDFKWMFYMPRA-YUSALJHKSA-N 2 0 294.359 -1.194 20 0 CAADRP O=C(NCc1cn([C@@H]2CC[NH2+]C2)nn1)[C@@H]1C[NH2+]CCOC1 ZINC001550087514 894529366 /nfs/dbraw/zinc/52/93/66/894529366.db2.gz WHWAXLXPRZSAGZ-ZYHUDNBSSA-N 2 0 294.359 -1.335 20 0 CAADRP C[C@@H]1C[NH2+]C[C@H](C(=O)N2CC[C@@H](n3cc(C[NH3+])nn3)C2)O1 ZINC001550094948 894529443 /nfs/dbraw/zinc/52/94/43/894529443.db2.gz ASZNWFPKJXXTTB-YUSALJHKSA-N 2 0 294.359 -1.113 20 0 CAADRP C[C@@H]1C[NH2+]C[C@@H](C(=O)NCc2cn([C@H]3CC[NH2+]C3)nn2)O1 ZINC001550088320 894529485 /nfs/dbraw/zinc/52/94/85/894529485.db2.gz SKYDFKWMFYMPRA-USWWRNFRSA-N 2 0 294.359 -1.194 20 0 CAADRP C[C@@H]1C[NH2+]C[C@H](C(=O)N2CC[C@H](n3cc(C[NH3+])nn3)C2)O1 ZINC001550094943 894529527 /nfs/dbraw/zinc/52/95/27/894529527.db2.gz ASZNWFPKJXXTTB-ADEWGFFLSA-N 2 0 294.359 -1.113 20 0 CAADRP [NH3+][C@@H]1C[C@@H]1C(=O)NCc1cn([C@@H]2CC[NH2+]C2)nn1 ZINC001550087445 894529537 /nfs/dbraw/zinc/52/95/37/894529537.db2.gz USFGIXWDYFODOY-KXUCPTDWSA-N 2 0 250.306 -1.224 20 0 CAADRP [NH3+]CC(=O)NCC(=O)N[C@@H]1C[NH2+]C[C@@H]1c1ccccc1 ZINC001550078034 894529725 /nfs/dbraw/zinc/52/97/25/894529725.db2.gz TZZBRQXWWCAWLC-VXGBXAGGSA-N 2 0 276.340 -1.067 20 0 CAADRP O=C(NC[C@@H]1CC2(CO1)CC[NH2+]CC2)[C@@H]1C[C@H](O)C[NH2+]1 ZINC001550114415 894529754 /nfs/dbraw/zinc/52/97/54/894529754.db2.gz FNKYPUBVPKINCG-SRVKXCTJSA-N 2 0 283.372 -1.016 20 0 CAADRP O=C(NCc1cn([C@H]2CC[NH2+]C2)nn1)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC001550087144 894529797 /nfs/dbraw/zinc/52/97/97/894529797.db2.gz NWFCVBQOTKFCOX-NNYUYHANSA-N 2 0 276.344 -1.106 20 0 CAADRP [NH3+]CC(=O)NCC(=O)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC001550090027 894530112 /nfs/dbraw/zinc/53/01/12/894530112.db2.gz BESNHJGBSJSCJH-GFCCVEGCSA-N 2 0 298.387 -1.322 20 0 CAADRP C[NH+]1CCN([C@@H]2CCN(C(=O)[C@@H]3OCC[C@@H]3[NH3+])C2)CC1 ZINC001550115779 894530320 /nfs/dbraw/zinc/53/03/20/894530320.db2.gz FXEPSMFFNDMNCC-FRRDWIJNSA-N 2 0 282.388 -1.049 20 0 CAADRP C[NH+]1CCN([C@@H]2CCN(C(=O)[C@H]3OCC[C@H]3[NH3+])C2)CC1 ZINC001550115781 894530380 /nfs/dbraw/zinc/53/03/80/894530380.db2.gz FXEPSMFFNDMNCC-UPJWGTAASA-N 2 0 282.388 -1.049 20 0 CAADRP C[NH+]1CCN([C@@H]2CCN(C(=O)C3(O)C[NH2+]C3)C2)CC1 ZINC001550116005 894530836 /nfs/dbraw/zinc/53/08/36/894530836.db2.gz IDRGUQRZAAVALK-LLVKDONJSA-N 2 0 268.361 -1.831 20 0 CAADRP C[NH+](C)CC(=O)NCc1cn([C@H]2CC[NH2+]C2)nn1 ZINC001550087167 894530889 /nfs/dbraw/zinc/53/08/89/894530889.db2.gz PBBSWCBKQHZRDC-JTQLQIEISA-N 2 0 252.322 -1.010 20 0 CAADRP CO[C@H](C[NH3+])C(=O)N1C[C@H]([NH3+])[C@H](c2cnn(C)c2)C1 ZINC001550188576 894531369 /nfs/dbraw/zinc/53/13/69/894531369.db2.gz YTHINROHNSIKGL-GARJFASQSA-N 2 0 267.333 -1.353 20 0 CAADRP [NH3+][C@@H]1COCCN(C(=O)NC[C@@H]2C[NH2+]CCCO2)C1 ZINC001550266679 894531535 /nfs/dbraw/zinc/53/15/35/894531535.db2.gz FXWHHKUECKPFBV-QWRGUYRKSA-N 2 0 272.349 -1.266 20 0 CAADRP N[C@@H]1CN(C(=O)N[C@H]2CC[NH2+]C23CCC3)C[C@@H]1[NH3+] ZINC001550269514 894532422 /nfs/dbraw/zinc/53/24/22/894532422.db2.gz CNORRCXIILKQJE-AEJSXWLSSA-N 2 0 253.350 -1.049 20 0 CAADRP CO[C@H](C[NH3+])C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC001550188586 894532924 /nfs/dbraw/zinc/53/29/24/894532924.db2.gz YTHINROHNSIKGL-HBNTYKKESA-N 2 0 267.333 -1.353 20 0 CAADRP COC[C@H]([NH3+])C(=O)N1CC[C@H](N2CC[NH+](C)CC2)C1 ZINC001550116360 894533291 /nfs/dbraw/zinc/53/32/91/894533291.db2.gz MXOOJTSGHSGTNT-RYUDHWBXSA-N 2 0 270.377 -1.192 20 0 CAADRP CO[C@H](C[NH3+])C(=O)NC1CC[NH+]([C@@H]2CCN(C)C2=O)CC1 ZINC001550188852 894533759 /nfs/dbraw/zinc/53/37/59/894533759.db2.gz OWOCZEIVLNADNI-VXGBXAGGSA-N 2 0 298.387 -1.229 20 0 CAADRP C[NH+]1CCN([C@H]2CCN(C(=O)CN3CC[NH2+]CC3)C2)CC1 ZINC001550116369 894534756 /nfs/dbraw/zinc/53/47/56/894534756.db2.gz NBNWIXXJGLWIJA-AWEZNQCLSA-N 2 0 295.431 -1.260 20 0 CAADRP O=C(NC[C@@H]1C[NH2+]CCCO1)N[C@H]1C[NH2+]C[C@H]1F ZINC001550732892 894536674 /nfs/dbraw/zinc/53/66/74/894536674.db2.gz VJWGGHRVQXNDFF-AEJSXWLSSA-N 2 0 260.313 -1.026 20 0 CAADRP O=C(NC[C@H]1C[NH2+]CCCO1)N1CC[NH2+]C[C@H](O)C1 ZINC001550736341 894537719 /nfs/dbraw/zinc/53/77/19/894537719.db2.gz RDZMTYWSVLDMGC-WDEREUQCSA-N 2 0 272.349 -1.659 20 0 CAADRP O=C(NC[C@@H]1C[NH2+]CCCO1)N[C@H]1C[NH2+]C[C@@H]1F ZINC001550732893 894538036 /nfs/dbraw/zinc/53/80/36/894538036.db2.gz VJWGGHRVQXNDFF-GUBZILKMSA-N 2 0 260.313 -1.026 20 0 CAADRP CNC(=O)[C@@]12C[N@@H+]([C@@H]3C[C@@H]([NH3+])C[C@@H]3O)C[C@H]1COCC2 ZINC001551405345 894538591 /nfs/dbraw/zinc/53/85/91/894538591.db2.gz ARJXUTZTKXDHKP-HXNLIRTISA-N 2 0 283.372 -1.079 20 0 CAADRP COC[C@@H]1C[NH2+]CCN1C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC001550731887 894538916 /nfs/dbraw/zinc/53/89/16/894538916.db2.gz PARMOAUYJIGYTA-RYUDHWBXSA-N 2 0 286.376 -1.005 20 0 CAADRP COC[C@H]1C[NH2+]CCN1C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC001550731882 894538961 /nfs/dbraw/zinc/53/89/61/894538961.db2.gz PARMOAUYJIGYTA-NEPJUHHUSA-N 2 0 286.376 -1.005 20 0 CAADRP CO[C@H]1C[NH2+]C[C@@H]1c1cn(CC(=O)N2CC[NH2+]CC2)nn1 ZINC001552163156 894543005 /nfs/dbraw/zinc/54/30/05/894543005.db2.gz ULTZPDPOCSNGEM-PWSUYJOCSA-N 2 0 294.359 -1.588 20 0 CAADRP O=C(NC[C@@H]1C[NH2+]CCO1)c1cn([C@H]2CC[NH2+]C2)nn1 ZINC001552091447 894543043 /nfs/dbraw/zinc/54/30/43/894543043.db2.gz YODTUYHLDZPQLF-UWVGGRQHSA-N 2 0 280.332 -1.469 20 0 CAADRP O=C(N[C@@H]1CC[NH2+]C1)c1cn([C@@H]2CC[NH2+]C2)nn1 ZINC001552162580 894543331 /nfs/dbraw/zinc/54/33/31/894543331.db2.gz BKLLPMUWIACSDX-RKDXNWHRSA-N 2 0 250.306 -1.096 20 0 CAADRP CO[C@H]1C[NH2+]C[C@@H]1c1cn(CC(=O)NC(C)(C)C[NH3+])nn1 ZINC001552163944 894543558 /nfs/dbraw/zinc/54/35/58/894543558.db2.gz ZNGGMNGNYLSSKQ-KOLCDFICSA-N 2 0 296.375 -1.167 20 0 CAADRP CN1CCN(C(=O)c2cn([C@@H]3CC[NH2+]C3)nn2)[C@@H](C[NH3+])C1 ZINC001552161058 894543571 /nfs/dbraw/zinc/54/35/71/894543571.db2.gz KOARRVFEBZHBSV-MNOVXSKESA-N 2 0 293.375 -1.473 20 0 CAADRP O=C(c1cn([C@H]2CC[NH2+]C2)nn1)N1CC[NH2+]CC1 ZINC001552162983 894543616 /nfs/dbraw/zinc/54/36/16/894543616.db2.gz RFGVNVZRHPOTKW-VIFPVBQESA-N 2 0 250.306 -1.142 20 0 CAADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)[C@@]23C[NH2+]C[C@@H]2COC3)CCO1 ZINC001552195293 894543808 /nfs/dbraw/zinc/54/38/08/894543808.db2.gz RQKUMQUMBIBJHB-SRRSOLGSSA-N 2 0 269.345 -1.203 20 0 CAADRP CO[C@@H]1C[NH2+]C[C@@H]1c1cn(CC(=O)N(C)[C@H](C)C[NH3+])nn1 ZINC001552163153 894544449 /nfs/dbraw/zinc/54/44/49/894544449.db2.gz WFCRWFFYRWMYKM-CKYFFXLPSA-N 2 0 296.375 -1.215 20 0 CAADRP CO[C@@H]1C[NH2+]C[C@H]1c1cn(CC(=O)N(C)[C@@H](C)C[NH3+])nn1 ZINC001552163157 894545172 /nfs/dbraw/zinc/54/51/72/894545172.db2.gz WFCRWFFYRWMYKM-JBLDHEPKSA-N 2 0 296.375 -1.215 20 0 CAADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)[C@]23C[NH2+]C[C@@H]2COC3)CCO1 ZINC001552195291 894545546 /nfs/dbraw/zinc/54/55/46/894545546.db2.gz RQKUMQUMBIBJHB-NOHGZBONSA-N 2 0 269.345 -1.203 20 0 CAADRP O=C(N1C[C@H]2C[NH2+]C[C@H]2C1)[C@]12C[NH2+]C[C@@H]1COC2 ZINC001552202230 894546253 /nfs/dbraw/zinc/54/62/53/894546253.db2.gz FDXSCDOSSSKWNH-XZUYRWCXSA-N 2 0 251.330 -1.100 20 0 CAADRP C[C@H](CNC(=O)[C@@]12C[NH2+]C[C@H]1COC2)N1CC[NH+](C)CC1 ZINC001552202587 894547079 /nfs/dbraw/zinc/54/70/79/894547079.db2.gz KQTMUEGXVQRKQI-VNHYZAJKSA-N 2 0 296.415 -1.026 20 0 CAADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)[C@@]12C[NH2+]C[C@@H]1COC2 ZINC001552203226 894547189 /nfs/dbraw/zinc/54/71/89/894547189.db2.gz WSQQZXFITJVTQV-YRGRVCCFSA-N 2 0 282.388 -1.416 20 0 CAADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)[C@]12C[NH2+]C[C@@H]1COC2 ZINC001552202159 894547571 /nfs/dbraw/zinc/54/75/71/894547571.db2.gz BSEKPLIJODVCFR-NFAWXSAZSA-N 2 0 296.415 -1.026 20 0 CAADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)[C@@]12C[NH2+]C[C@@H]1COC2 ZINC001552202160 894547731 /nfs/dbraw/zinc/54/77/31/894547731.db2.gz BSEKPLIJODVCFR-UMVBOHGHSA-N 2 0 296.415 -1.026 20 0 CAADRP O=C(N1C[C@H]2C[NH2+]C[C@H]2C1)[C@@]12C[NH2+]C[C@@H]1COC2 ZINC001552202225 894548792 /nfs/dbraw/zinc/54/87/92/894548792.db2.gz FDXSCDOSSSKWNH-LSCVPOLPSA-N 2 0 251.330 -1.100 20 0 CAADRP C[C@H](CNC(=O)[C@@]12C[NH2+]C[C@@H]1COC2)N1CC[NH+](C)CC1 ZINC001552202585 894548830 /nfs/dbraw/zinc/54/88/30/894548830.db2.gz KQTMUEGXVQRKQI-UMVBOHGHSA-N 2 0 296.415 -1.026 20 0 CAADRP [NH3+][C@@H]1COCCN(C(=O)[C@]23C[NH2+]C[C@@H]2COC3)C1 ZINC001552261614 894550083 /nfs/dbraw/zinc/55/00/83/894550083.db2.gz QJYOUTFTZCIOIQ-SCVCMEIPSA-N 2 0 255.318 -1.592 20 0 CAADRP [NH3+][C@@H]1COCCN(C(=O)[C@@]23C[NH2+]C[C@H]2COC3)C1 ZINC001552261609 894550305 /nfs/dbraw/zinc/55/03/05/894550305.db2.gz QJYOUTFTZCIOIQ-JBLDHEPKSA-N 2 0 255.318 -1.592 20 0 CAADRP [NH3+][C@@H]1C[C@@H]2CN(C(=O)[C@@]34C[NH2+]C[C@H]3COC4)CCN2C1=O ZINC001552212976 894550319 /nfs/dbraw/zinc/55/03/19/894550319.db2.gz MZSYMIHMUYKEJO-ICUOPCATSA-N 2 0 294.355 -2.007 20 0 CAADRP [NH3+]CC1(O)CCN(C(=O)[C@@]23C[NH2+]C[C@H]2COC3)CC1 ZINC001552203935 894550455 /nfs/dbraw/zinc/55/04/55/894550455.db2.gz JGKCPILHTYBCKX-GXFFZTMASA-N 2 0 269.345 -1.465 20 0 CAADRP [NH3+]CC1(O)CCN(C(=O)[C@@]23C[NH2+]C[C@@H]2COC3)CC1 ZINC001552203941 894550681 /nfs/dbraw/zinc/55/06/81/894550681.db2.gz JGKCPILHTYBCKX-ZWNOBZJWSA-N 2 0 269.345 -1.465 20 0 CAADRP [NH3+][C@@H]1CN(C(=O)[C@@H]2C[NH2+]CCOC2)C[C@@H]1n1ccnn1 ZINC001552256388 894550855 /nfs/dbraw/zinc/55/08/55/894550855.db2.gz KJHCGUNVCUJBJB-MXWKQRLJSA-N 2 0 280.332 -1.775 20 0 CAADRP CO[C@@H]1C[NH2+]C[C@H]1c1cn(CC(=O)N(C)C[C@@H](C)[NH3+])nn1 ZINC001552257546 894550919 /nfs/dbraw/zinc/55/09/19/894550919.db2.gz MKPUUWZHUONXDL-JFGNBEQYSA-N 2 0 296.375 -1.215 20 0 CAADRP [NH3+][C@@H]1CN(C(=O)[C@@H]2C[NH2+]CCOC2)C[C@H]1n1ccnn1 ZINC001552256384 894551484 /nfs/dbraw/zinc/55/14/84/894551484.db2.gz KJHCGUNVCUJBJB-GMTAPVOTSA-N 2 0 280.332 -1.775 20 0 CAADRP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)[C@@]23C[NH2+]C[C@H]2COC3)n1 ZINC001552218834 894551601 /nfs/dbraw/zinc/55/16/01/894551601.db2.gz YCEDBMOSTFPUDA-ISVAXAHUSA-N 2 0 293.327 -1.507 20 0 CAADRP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)[C@@H]2C[NH2+]CCOC2)n1 ZINC001552217086 894551835 /nfs/dbraw/zinc/55/18/35/894551835.db2.gz ZXWKTWPMKKMKBS-MRVPVSSYSA-N 2 0 281.316 -1.507 20 0 CAADRP CO[C@@H]1C[NH2+]C[C@@H]1c1cn(CC(=O)N(C)C[C@H](C)[NH3+])nn1 ZINC001552257536 894551887 /nfs/dbraw/zinc/55/18/87/894551887.db2.gz MKPUUWZHUONXDL-HOSYDEDBSA-N 2 0 296.375 -1.215 20 0 CAADRP O=C(NC[C@@H]1C[NH2+]CCO1)[C@@]12C[NH2+]C[C@H]1COC2 ZINC001552203865 894552236 /nfs/dbraw/zinc/55/22/36/894552236.db2.gz IOEFEFPTEZLJTM-JBLDHEPKSA-N 2 0 255.318 -1.673 20 0 CAADRP [NH3+]C1(CNC(=O)[C@]23C[NH2+]C[C@@H]2COC3)CCOCC1 ZINC001552274319 894553251 /nfs/dbraw/zinc/55/32/51/894553251.db2.gz LYMJMTMUVLLTPG-MFKMUULPSA-N 2 0 269.345 -1.154 20 0 CAADRP O=C(NC[C@@H]1COCC[NH2+]1)[C@@]12C[NH2+]C[C@H]1COC2 ZINC001552273294 894553725 /nfs/dbraw/zinc/55/37/25/894553725.db2.gz CFLKEEGCQXCYEV-HOSYDEDBSA-N 2 0 255.318 -1.673 20 0 CAADRP O=C(NC[C@@H]1COCC[NH2+]1)[C@]12C[NH2+]C[C@@H]1COC2 ZINC001552273293 894553780 /nfs/dbraw/zinc/55/37/80/894553780.db2.gz CFLKEEGCQXCYEV-FOGDFJRCSA-N 2 0 255.318 -1.673 20 0 CAADRP O=C(N[C@@H]1C[NH2+]C[C@H]1F)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC001552358108 894553837 /nfs/dbraw/zinc/55/38/37/894553837.db2.gz YCYYWVKVBGKSCN-QJPTWQEYSA-N 2 0 285.367 -1.015 20 0 CAADRP O=C(N[C@@H]1C[NH2+]C[C@@H]1F)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC001552358113 894554201 /nfs/dbraw/zinc/55/42/01/894554201.db2.gz YCYYWVKVBGKSCN-SDDRHHMPSA-N 2 0 285.367 -1.015 20 0 CAADRP O=C(NC[C@@H]1COCC[NH2+]1)c1cn([C@H]2CC[NH2+]C2)nn1 ZINC001552274643 894554263 /nfs/dbraw/zinc/55/42/63/894554263.db2.gz RELBTNOKDUBRGH-ZJUUUORDSA-N 2 0 280.332 -1.469 20 0 CAADRP [NH3+]C1(CNC(=O)[C@@H]2C[NH2+]CCOC2)CCOCC1 ZINC001552273593 894554990 /nfs/dbraw/zinc/55/49/90/894554990.db2.gz HNOLXIAVDFGWKP-SNVBAGLBSA-N 2 0 257.334 -1.154 20 0 CAADRP [NH3+]C1(CNC(=O)[C@@]23C[NH2+]C[C@@H]2COC3)CCOCC1 ZINC001552274321 894555100 /nfs/dbraw/zinc/55/51/00/894555100.db2.gz LYMJMTMUVLLTPG-ZWNOBZJWSA-N 2 0 269.345 -1.154 20 0 CAADRP O=C(CNC(=O)[C@H]1CCCC[NH2+]C1)N1CC[NH2+]CC1 ZINC001552392538 894555187 /nfs/dbraw/zinc/55/51/87/894555187.db2.gz KUPIMWIUBPKDOP-NSHDSACASA-N 2 0 268.361 -1.076 20 0 CAADRP N[C@@H]1CN(C(=O)N[C@]23CCC[C@@H]2[NH2+]CC3)C[C@H]1[NH3+] ZINC001552961196 894556745 /nfs/dbraw/zinc/55/67/45/894556745.db2.gz ULUWXOCDKIQQNR-SVDPJWKOSA-N 2 0 253.350 -1.049 20 0 CAADRP [NH3+][C@@H]1CN(C[C@H]2CCC3(C[NH2+]C3)O2)C[C@H]1n1ccnn1 ZINC001552681251 894556703 /nfs/dbraw/zinc/55/67/03/894556703.db2.gz VULOBLVMUBQHES-IJLUTSLNSA-N 2 0 278.360 -1.017 20 0 CAADRP Cc1c(C(=O)N2CCOC[C@H]([NH3+])C2)nnn1[C@@H]1CC[NH2+]C1 ZINC001552763607 894556879 /nfs/dbraw/zinc/55/68/79/894556879.db2.gz NBSHDFXSBGAGHK-GHMZBOCLSA-N 2 0 294.359 -1.079 20 0 CAADRP N[C@@H]1CN(C(=O)N2CCC[C@@H]3[NH2+]CC[C@H]32)C[C@@H]1[NH3+] ZINC001552959940 894557176 /nfs/dbraw/zinc/55/71/76/894557176.db2.gz IZLMBJTYQNQQAX-ZRUFSTJUSA-N 2 0 253.350 -1.097 20 0 CAADRP [NH3+][C@@H]1CN(C[C@H]2CCC3(C[NH2+]C3)O2)C[C@@H]1n1ccnn1 ZINC001552681364 894557747 /nfs/dbraw/zinc/55/77/47/894557747.db2.gz VULOBLVMUBQHES-UTUOFQBUSA-N 2 0 278.360 -1.017 20 0 CAADRP Cc1c(C(=O)N2CCOC[C@@H]([NH3+])C2)nnn1[C@@H]1CC[NH2+]C1 ZINC001552763617 894558007 /nfs/dbraw/zinc/55/80/07/894558007.db2.gz NBSHDFXSBGAGHK-WDEREUQCSA-N 2 0 294.359 -1.079 20 0 CAADRP C[N@@H+]1CC[C@]2(C(=O)NCCC(N)=O)C[NH2+]C[C@H]2C1 ZINC001553386618 894558822 /nfs/dbraw/zinc/55/88/22/894558822.db2.gz WSCJJJIMCQPOJK-CABZTGNLSA-N 2 0 254.334 -1.481 20 0 CAADRP [NH3+][C@@H]1C[C@@H]2C[C@H](C(=O)NCC(=O)N3CC[NH2+]CC3)C[C@H]12 ZINC001553356312 894558978 /nfs/dbraw/zinc/55/89/78/894558978.db2.gz WPTOIZQMUCUCNG-FIQHERPVSA-N 2 0 280.372 -1.092 20 0 CAADRP [NH3+][C@@H]1C[C@@H]2C[C@H](C(=O)NCC(=O)N3CC[NH2+]CC3)C[C@@H]12 ZINC001553356319 894559129 /nfs/dbraw/zinc/55/91/29/894559129.db2.gz WPTOIZQMUCUCNG-NNYUYHANSA-N 2 0 280.372 -1.092 20 0 CAADRP C[N@@H+]1CC[C@@]2(C(=O)NCCC(N)=O)C[NH2+]C[C@H]2C1 ZINC001553386619 894559229 /nfs/dbraw/zinc/55/92/29/894559229.db2.gz WSCJJJIMCQPOJK-JOYOIKCWSA-N 2 0 254.334 -1.481 20 0 CAADRP C[N@@H+]1CC[C@@]2(C(=O)NCCC(N)=O)C[NH2+]C[C@@H]2C1 ZINC001553386616 894559523 /nfs/dbraw/zinc/55/95/23/894559523.db2.gz WSCJJJIMCQPOJK-BXKDBHETSA-N 2 0 254.334 -1.481 20 0 CAADRP [NH3+][C@@H]1C[C@@H]2C[N@H+](C[C@H]3C[C@@]4(CC[NH2+]C4)CO3)CCN2C1=O ZINC001553304924 894559586 /nfs/dbraw/zinc/55/95/86/894559586.db2.gz PABKHVZTTVURHU-RGCMKSIDSA-N 3 0 294.399 -1.001 20 0 CAADRP O=C(CNC(=O)[C@]12C[NH2+]C[C@@H]1CCOC2)N1CC[NH2+]CC1 ZINC001553350704 894559626 /nfs/dbraw/zinc/55/96/26/894559626.db2.gz ISOBUJUEEAPKDI-FZMZJTMJSA-N 2 0 296.371 -1.840 20 0 CAADRP C[N@@H+]1CC[C@@]2(C(=O)NCCN3CC[NH2+]CC3)C[NH2+]C[C@H]2C1 ZINC001553355804 894559704 /nfs/dbraw/zinc/55/97/04/894559704.db2.gz VYBPBIFADAXDDV-DZGCQCFKSA-N 3 0 295.431 -1.451 20 0 CAADRP CC(=O)NCCNC(=O)[C@@]12C[NH2+]C[C@@H]1C[N@H+](C)CC2 ZINC001553368756 894560059 /nfs/dbraw/zinc/56/00/59/894560059.db2.gz MYIUMYFMQICERO-YPMHNXCESA-N 2 0 268.361 -1.220 20 0 CAADRP CC(=O)NCCNC(=O)[C@]12C[NH2+]C[C@@H]1C[N@H+](C)CC2 ZINC001553368750 894560109 /nfs/dbraw/zinc/56/01/09/894560109.db2.gz MYIUMYFMQICERO-DGCLKSJQSA-N 2 0 268.361 -1.220 20 0 CAADRP C[N@@H+]1CC[C@]2(C(=O)NCC(=O)NC3CC3)C[NH2+]C[C@@H]2C1 ZINC001553372868 894560406 /nfs/dbraw/zinc/56/04/06/894560406.db2.gz SLPHMKQWTCMDDC-YGRLFVJLSA-N 2 0 280.372 -1.078 20 0 CAADRP O=C(NCCN1CC[NH2+]CC1)[C@H]1[C@@H]2C[NH2+]CC[C@@H]21 ZINC001553353215 894560982 /nfs/dbraw/zinc/56/09/82/894560982.db2.gz TUCLSHQHYSDQGG-QJPTWQEYSA-N 2 0 252.362 -1.137 20 0 CAADRP [NH3+][C@@H]1C[C@@H]2C[N@H+](C[C@@H]3C[C@]4(CC[NH2+]C4)CO3)CCN2C1=O ZINC001553304919 894561275 /nfs/dbraw/zinc/56/12/75/894561275.db2.gz PABKHVZTTVURHU-COMQUAJESA-N 3 0 294.399 -1.001 20 0 CAADRP CN1CC[C@]2(C(=O)N3CC[NH2+]CC3)C[NH2+]C[C@@H]2C1 ZINC001553348693 894561308 /nfs/dbraw/zinc/56/13/08/894561308.db2.gz LNDBAAULEKXZHX-YPMHNXCESA-N 2 0 252.362 -1.041 20 0 CAADRP CN(CCN1CC[NH2+]CC1)C(=O)[C@@]12C[NH2+]C[C@H]1CCOC2 ZINC001553353411 894561691 /nfs/dbraw/zinc/56/16/91/894561691.db2.gz MLNIHWOISKIGNR-UKRRQHHQSA-N 2 0 296.415 -1.024 20 0 CAADRP CC(=O)NCCNC(=O)[C@]12C[NH2+]C[C@H]1C[N@H+](C)CC2 ZINC001553368753 894561915 /nfs/dbraw/zinc/56/19/15/894561915.db2.gz MYIUMYFMQICERO-WCQYABFASA-N 2 0 268.361 -1.220 20 0 CAADRP CN1CC[C@@]2(C(=O)N3CC[NH2+]CC3)C[NH2+]C[C@H]2C1 ZINC001553348691 894561957 /nfs/dbraw/zinc/56/19/57/894561957.db2.gz LNDBAAULEKXZHX-WCQYABFASA-N 2 0 252.362 -1.041 20 0 CAADRP O=C(NCCN1CC[NH2+]CC1)[C@@]12C[NH2+]C[C@H]1COCC2 ZINC001553351828 894562049 /nfs/dbraw/zinc/56/20/49/894562049.db2.gz OSCDSAGRCWMDLE-JSGCOSHPSA-N 2 0 282.388 -1.366 20 0 CAADRP [NH3+][C@@H]1C[C@@H]2C[C@@H](C(=O)NCC(=O)N3CC[NH2+]CC3)C[C@H]12 ZINC001553356322 894562195 /nfs/dbraw/zinc/56/21/95/894562195.db2.gz WPTOIZQMUCUCNG-WHOHXGKFSA-N 2 0 280.372 -1.092 20 0 CAADRP [NH3+][C@@H]1COCCN(C(=O)[C@@H]2C[C@@H]3OCC[C@@H]3[NH2+]2)C1 ZINC001553429817 894563485 /nfs/dbraw/zinc/56/34/85/894563485.db2.gz LECGKECDPZQDDC-NAKRPEOUSA-N 2 0 255.318 -1.308 20 0 CAADRP C[NH+]1CCN(CCNC(=O)[C@@H]2C[C@H]3OCC[C@@H]3[NH2+]2)CC1 ZINC001553412063 894563631 /nfs/dbraw/zinc/56/36/31/894563631.db2.gz SVLIGTNYVJADDQ-RWMBFGLXSA-N 2 0 282.388 -1.131 20 0 CAADRP O=C(NC[C@@H]1C[NH2+]CCO1)[C@@H]1C[C@@H]2OCC[C@@H]2[NH2+]1 ZINC001553408011 894564257 /nfs/dbraw/zinc/56/42/57/894564257.db2.gz IWYJEQWUXDVFKJ-NAKRPEOUSA-N 2 0 255.318 -1.390 20 0 CAADRP [NH3+]C[C@@H]1CN(C(=O)[C@@H]2C[C@H]3OCC[C@@H]3[NH2+]2)CCO1 ZINC001553405786 894564495 /nfs/dbraw/zinc/56/44/95/894564495.db2.gz DLHYEGKVMVMPSP-VPOLOUISSA-N 2 0 255.318 -1.308 20 0 CAADRP C[NH+](C)[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3OCC[C@@H]3[NH2+]2)C[C@@H]1O ZINC001553416845 894564733 /nfs/dbraw/zinc/56/47/33/894564733.db2.gz CNNWVNVDSJTDHG-SVNGYHJRSA-N 2 0 269.345 -1.361 20 0 CAADRP C[NH+]1CCN(CCNC(=O)[C@@H]2C[C@H]3OCC[C@H]3[NH2+]2)CC1 ZINC001553412061 894564795 /nfs/dbraw/zinc/56/47/95/894564795.db2.gz SVLIGTNYVJADDQ-FRRDWIJNSA-N 2 0 282.388 -1.131 20 0 CAADRP [NH3+][C@@H]1CN(C(=O)[C@@H]2C[C@@H]3OCC[C@H]3[NH2+]2)C[C@H]1n1ccnn1 ZINC001553437085 894566803 /nfs/dbraw/zinc/56/68/03/894566803.db2.gz YGXFQECYXJBQGH-ZIQFBCGOSA-N 2 0 292.343 -1.492 20 0 CAADRP C[N@H+]1C[C@@H](NC(=O)C2C[NH+](C3CCOCC3)C2)[C@@H](O)C1 ZINC001553649499 894566908 /nfs/dbraw/zinc/56/69/08/894566908.db2.gz ONPJLHWYIPQHRV-OLZOCXBDSA-N 2 0 283.372 -1.112 20 0 CAADRP C[N@@H+]1C[C@H](O)[C@@H](NC(=O)C2C[NH+](C3CCOCC3)C2)C1 ZINC001553649504 894567143 /nfs/dbraw/zinc/56/71/43/894567143.db2.gz ONPJLHWYIPQHRV-STQMWFEESA-N 2 0 283.372 -1.112 20 0 CAADRP O=C(CNC(=O)N[C@]12CCC[C@H]1C[NH2+]C2)N1CC[NH2+]CC1 ZINC001553495654 894567573 /nfs/dbraw/zinc/56/75/73/894567573.db2.gz XFFJXWJQKLTBQL-FZMZJTMJSA-N 2 0 295.387 -1.141 20 0 CAADRP [NH3+][C@]1(CO)CCCN(C(=O)[C@@H]2C[C@H]3OCC[C@H]3[NH2+]2)C1 ZINC001553437836 894569265 /nfs/dbraw/zinc/56/92/65/894569265.db2.gz ZUKMHRJPHCIEKX-LSCVPOLPSA-N 2 0 269.345 -1.182 20 0 CAADRP [NH3+][C@]12CC[C@@H]1CN(C(=O)NCC(=O)N1CC[NH2+]CC1)C2 ZINC001553488334 894569430 /nfs/dbraw/zinc/56/94/30/894569430.db2.gz BTDGJGNGDWHBRW-MFKMUULPSA-N 2 0 281.360 -1.449 20 0 CAADRP C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)N2CC[NH2+]CC2)C1 ZINC000091431364 230165464 /nfs/dbraw/zinc/16/54/64/230165464.db2.gz HXVAZVXIIGCVKL-LLVKDONJSA-N 2 0 268.361 -1.029 20 0 CAADRP C[NH+](C)[C@H]1CCCN(C(=O)C(=O)N2CC[NH2+]CC2)C1 ZINC000091431366 230166234 /nfs/dbraw/zinc/16/62/34/230166234.db2.gz HXVAZVXIIGCVKL-NSHDSACASA-N 2 0 268.361 -1.029 20 0 CAADRP [NH3+]CC(=O)NCC(=O)N1CCCC[C@@H]1CN1CCOCC1 ZINC000125222995 230173112 /nfs/dbraw/zinc/17/31/12/230173112.db2.gz CQESHNCDRCVVGL-GFCCVEGCSA-N 2 0 298.387 -1.225 20 0 CAADRP [NH3+]CC(=O)NCC(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000252433688 230217553 /nfs/dbraw/zinc/21/75/53/230217553.db2.gz RASZEDURKWUORI-VHSXEESVSA-N 2 0 254.334 -1.196 20 0 CAADRP [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)C2C[NH2+]C2)C1 ZINC000262258719 230226923 /nfs/dbraw/zinc/22/69/23/230226923.db2.gz QRPSMJSMSJZJKN-SECBINFHSA-N 2 0 254.334 -1.481 20 0 CAADRP C[C@@H]1C[N@H+](CCC(=O)N2CC[NH2+]CC2)C[C@@H](C(N)=O)O1 ZINC000262036762 230223775 /nfs/dbraw/zinc/22/37/75/230223775.db2.gz HGYFLQXXWIGMOW-MNOVXSKESA-N 2 0 284.360 -1.617 20 0 CAADRP C[C@@H]1CCC[N@H+](CCNC(=O)CNC(=O)C[NH3+])C1 ZINC000262463104 230227923 /nfs/dbraw/zinc/22/79/23/230227923.db2.gz XWXWXDCBJWCEBZ-SNVBAGLBSA-N 2 0 256.350 -1.091 20 0 CAADRP C[NH+](C)C[C@@H]1CN(C(=O)[C@H]2C[NH2+]CCO2)CCO1 ZINC000424180939 282126183 /nfs/dbraw/zinc/12/61/83/282126183.db2.gz QAZVRCJLAQFWNK-GHMZBOCLSA-N 2 0 257.334 -1.236 20 0 CAADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CC[NH2+]C[C@@H]2C)C1 ZINC000419727458 230253415 /nfs/dbraw/zinc/25/34/15/230253415.db2.gz LJGVKCWLMLQHDC-RYUDHWBXSA-N 2 0 298.387 -1.356 20 0 CAADRP COCC[N@H+](C)CCNC(=O)C(=O)N1CC[NH2+][C@H](C)C1 ZINC000419366586 230255016 /nfs/dbraw/zinc/25/50/16/230255016.db2.gz ZLDCUDVQPWMWAY-LLVKDONJSA-N 2 0 286.376 -1.499 20 0 CAADRP C[C@@H]1CN(C(=O)C(=O)N(C)CC[NH+](C)C)CC[NH2+]1 ZINC000423060188 230266012 /nfs/dbraw/zinc/26/60/12/230266012.db2.gz HOJYRZWHMGPAOB-SNVBAGLBSA-N 2 0 256.350 -1.173 20 0 CAADRP O=C(CNC(=O)[C@H]1CCC[NH2+]1)NCC[C@@H]1CC[NH2+]C1 ZINC000573367225 334931622 /nfs/dbraw/zinc/93/16/22/334931622.db2.gz NPWZFRSAVGGIGP-WDEREUQCSA-N 2 0 268.361 -1.030 20 0 CAADRP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)[C@@H]2C[NH2+]CCO2)C1 ZINC000430899123 230310107 /nfs/dbraw/zinc/31/01/07/230310107.db2.gz YVRPFAOUCOCZMS-NEPJUHHUSA-N 2 0 298.387 -1.322 20 0 CAADRP C[C@H](CNC(=O)[C@H]1C[NH2+]CCO1)C[NH+]1CCN(C)CC1 ZINC000431012286 230312103 /nfs/dbraw/zinc/31/21/03/230312103.db2.gz ABFJCIIYIHKION-CHWSQXEVSA-N 2 0 284.404 -1.026 20 0 CAADRP C[C@H]1COCCN1CCNC(=O)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000479279191 230353535 /nfs/dbraw/zinc/35/35/35/230353535.db2.gz IGXDWRVBFWDUKV-HBNTYKKESA-N 2 0 257.334 -1.454 20 0 CAADRP C[N@@H+]1CC[C@H]2CCN(C(=O)C(=O)N3CC[NH2+]CC3)[C@@H]2C1 ZINC000423558002 529807571 /nfs/dbraw/zinc/80/75/71/529807571.db2.gz IVGXHFASTVPLOQ-NWDGAFQWSA-N 2 0 280.372 -1.029 20 0 CAADRP CN(CC(=O)N1CC[NH2+]CC1)C(=O)C1(C)C[NH2+]C1 ZINC000422770296 529828035 /nfs/dbraw/zinc/82/80/35/529828035.db2.gz VWVOPASHJSZVRZ-UHFFFAOYSA-N 2 0 254.334 -1.514 20 0 CAADRP C[NH2+]CC1CC[NH+](CC(=O)N2CCNC(=O)C2)CC1 ZINC000430925495 529958882 /nfs/dbraw/zinc/95/88/82/529958882.db2.gz CXCMRDKMZWGKQW-UHFFFAOYSA-N 2 0 268.361 -1.124 20 0 CAADRP C[NH2+]CCN(C)C(=O)C(=O)N(CCOC)CC[NH+](C)C ZINC000423263825 529972043 /nfs/dbraw/zinc/97/20/43/529972043.db2.gz PBXHGLMMYAWPPU-UHFFFAOYSA-N 2 0 288.392 -1.299 20 0 CAADRP C[NH+]1CCC(CCNC(=O)CNC(=O)C[NH3+])CC1 ZINC000141924610 530048806 /nfs/dbraw/zinc/04/88/06/530048806.db2.gz UGANOPBLTFVHTH-UHFFFAOYSA-N 2 0 256.350 -1.091 20 0 CAADRP C[C@H]1C[C@H](NC(=O)CNC(=O)C[NH3+])C[N@@H+]1C1CC1 ZINC000347662770 291134631 /nfs/dbraw/zinc/13/46/31/291134631.db2.gz FCBXRIHLLVHBBR-IUCAKERBSA-N 2 0 254.334 -1.197 20 0 CAADRP COCC[N@H+](C)C[C@H](O)CN(C)[C@@H]1COC[C@H]1O ZINC000574337766 335012104 /nfs/dbraw/zinc/01/21/04/335012104.db2.gz WULOQNMUAJOYBY-QJPTWQEYSA-N 2 0 262.350 -1.383 20 0 CAADRP O=C([C@H]1C[NH2+]CCO1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000343643967 296137972 /nfs/dbraw/zinc/13/79/72/296137972.db2.gz PVHYAIKYIAACKC-VXGBXAGGSA-N 2 0 268.361 -1.519 20 0 CAADRP CC[NH+](CC)CCCNC(=O)C(=O)NC1C[NH2+]C1 ZINC000574385863 335015085 /nfs/dbraw/zinc/01/50/85/335015085.db2.gz FSAPMXYMJYPOGV-UHFFFAOYSA-N 2 0 256.350 -1.078 20 0 CAADRP O=C(CNC(=O)[C@H]1CCC[NH2+]1)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000583992872 372786915 /nfs/dbraw/zinc/78/69/15/372786915.db2.gz JNIFRHIANHEMPN-IJLUTSLNSA-N 2 0 280.372 -1.078 20 0 CAADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NC1C[NH2+]C1 ZINC000642758443 372821807 /nfs/dbraw/zinc/82/18/07/372821807.db2.gz NHTCIDNDSMCFCC-LLVKDONJSA-N 2 0 284.360 -1.699 20 0 CAADRP C[NH+](C)CC(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000167923355 372807182 /nfs/dbraw/zinc/80/71/82/372807182.db2.gz JZWHJMJEXSKWHI-SNVBAGLBSA-N 2 0 256.350 -1.139 20 0 CAADRP C[C@@H]1C[C@@H](NC(=O)C(=O)NC2C[NH2+]C2)C[N@@H+]1C1CC1 ZINC000642718076 372807849 /nfs/dbraw/zinc/80/78/49/372807849.db2.gz AQDQRJQRZLTVSS-RKDXNWHRSA-N 2 0 266.345 -1.184 20 0 CAADRP [NH3+]C[C@@H]1CN(C(=O)C[NH2+]C[C@@H]2CCCO2)CCO1 ZINC000584052379 372813600 /nfs/dbraw/zinc/81/36/00/372813600.db2.gz HFWKCDSOVOQAPJ-WDEREUQCSA-N 2 0 257.334 -1.059 20 0 CAADRP COCC[N@H+](C)CCNC(=O)C(=O)N[C@@H](C)C[C@H](C)[NH3+] ZINC000584053732 372814623 /nfs/dbraw/zinc/81/46/23/372814623.db2.gz WGIBBGAPPAXSMM-QWRGUYRKSA-N 2 0 288.392 -1.077 20 0 CAADRP [NH3+]C[C@@H]1CN(C(=O)C[NH2+]C[C@H]2CCCO2)CCO1 ZINC000584052376 372815278 /nfs/dbraw/zinc/81/52/78/372815278.db2.gz HFWKCDSOVOQAPJ-GHMZBOCLSA-N 2 0 257.334 -1.059 20 0 CAADRP COCC[N@H+](C)C[C@H](O)CN1CC[NH+](CCO)C[C@@H]1C ZINC000568181075 372839176 /nfs/dbraw/zinc/83/91/76/372839176.db2.gz JUZRRWPTCJCDKB-KBPBESRZSA-N 2 0 289.420 -1.076 20 0 CAADRP O=C(NC1C[NH2+]C1)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000642786002 372843424 /nfs/dbraw/zinc/84/34/24/372843424.db2.gz WMTKAKORMHBAHG-SNVBAGLBSA-N 2 0 266.345 -1.325 20 0 CAADRP O[C@H](CN1CCOCC1)C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000311017650 372845071 /nfs/dbraw/zinc/84/50/71/372845071.db2.gz LBIFMAFSIXLLDC-JHJVBQTASA-N 2 0 255.362 -1.169 20 0 CAADRP CC(C)[C@H]([NH3+])C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000574414421 335018062 /nfs/dbraw/zinc/01/80/62/335018062.db2.gz RIOYHDZNIDMRTB-AEJSXWLSSA-N 2 0 254.334 -1.260 20 0 CAADRP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)NC1C[NH2+]C1 ZINC000557250827 372850605 /nfs/dbraw/zinc/85/06/05/372850605.db2.gz GVWRQQOVQPQIER-SECBINFHSA-N 2 0 256.350 -1.079 20 0 CAADRP C[NH+](C)CCNS(=O)(=O)C[C@H]1C[NH2+]CCO1 ZINC000381257440 372890343 /nfs/dbraw/zinc/89/03/43/372890343.db2.gz QQLYEIOYNRBDDT-SECBINFHSA-N 2 0 251.352 -1.544 20 0 CAADRP CNC(=O)NC(=O)[C@H](C)[N@H+](C)CCOCC[NH2+]C ZINC000600729175 372893168 /nfs/dbraw/zinc/89/31/68/372893168.db2.gz FETSDMMAKJFQAS-VIFPVBQESA-N 2 0 260.338 -1.002 20 0 CAADRP CC1(C)C[NH2+]CC[C@H](NC(=O)CNC(=O)C[NH3+])C1 ZINC000634762162 372887255 /nfs/dbraw/zinc/88/72/55/372887255.db2.gz QXCFPVNTHLNDAH-VIFPVBQESA-N 2 0 256.350 -1.044 20 0 CAADRP C[NH+](C)CCN1CCC(Nc2nc(N)[nH+]c(N)n2)CC1 ZINC000623852519 372887748 /nfs/dbraw/zinc/88/77/48/372887748.db2.gz ZNYGSPIKPFHBHQ-UHFFFAOYSA-N 2 0 280.380 -1.443 20 0 CAADRP [NH3+]CC(=O)NCC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000037628373 372906806 /nfs/dbraw/zinc/90/68/06/372906806.db2.gz RASZEDURKWUORI-ZJUUUORDSA-N 2 0 254.334 -1.196 20 0 CAADRP C[NH2+]CCNC(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000237079031 372908550 /nfs/dbraw/zinc/90/85/50/372908550.db2.gz NJMKQAFPIYKERU-SNVBAGLBSA-N 2 0 256.350 -1.268 20 0 CAADRP [NH3+]CC(=O)NCC(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000037812791 372910138 /nfs/dbraw/zinc/91/01/38/372910138.db2.gz NRJQWJNHZQRGGG-JTQLQIEISA-N 2 0 254.334 -1.242 20 0 CAADRP C[NH+](C)CCN1C[C@@H](C(=O)NCCC[NH3+])CC1=O ZINC000237155474 372913090 /nfs/dbraw/zinc/91/30/90/372913090.db2.gz OAHQASMJJORHFZ-JTQLQIEISA-N 2 0 256.350 -1.139 20 0 CAADRP C[NH2+]CC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000237198722 372913225 /nfs/dbraw/zinc/91/32/25/372913225.db2.gz HKIQMBJWAZOTRU-UHFFFAOYSA-N 2 0 268.361 -1.028 20 0 CAADRP CN(CC[NH+]1CCCC1)C(=O)C(=O)NC1C[NH2+]C1 ZINC000642925059 372925391 /nfs/dbraw/zinc/92/53/91/372925391.db2.gz PSQINGOGOZRTAR-UHFFFAOYSA-N 2 0 254.334 -1.371 20 0 CAADRP C[C@@H]([NH3+])CNC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000642909305 372920107 /nfs/dbraw/zinc/92/01/07/372920107.db2.gz KHPMIEZPTKCAHX-LLVKDONJSA-N 3 0 287.408 -1.598 20 0 CAADRP O=C(NC1C[NH2+]C1)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000562825472 372953017 /nfs/dbraw/zinc/95/30/17/372953017.db2.gz NMEWHOIKTYZEDP-MNOVXSKESA-N 2 0 266.345 -1.183 20 0 CAADRP C[NH+]1CCC(NS(=O)(=O)C[C@@H]2C[NH2+]CCO2)CC1 ZINC000385722166 372929994 /nfs/dbraw/zinc/92/99/94/372929994.db2.gz NESKPHVUTIZTGG-NSHDSACASA-N 2 0 277.390 -1.012 20 0 CAADRP COC[C@@]1(C(=O)NC[C@H]2C[NH2+]CCO2)CCC[NH2+]1 ZINC000643801268 372936350 /nfs/dbraw/zinc/93/63/50/372936350.db2.gz VHRGKIHEBVWGNQ-ZYHUDNBSSA-N 2 0 257.334 -1.140 20 0 CAADRP O=C(NC1C[NH2+]C1)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000562825473 372951543 /nfs/dbraw/zinc/95/15/43/372951543.db2.gz NMEWHOIKTYZEDP-QWRGUYRKSA-N 2 0 266.345 -1.183 20 0 CAADRP [NH3+][C@H]1C[C@H]2CN(C(=O)CCOC3C[NH2+]C3)CCN2C1=O ZINC000583452192 372961226 /nfs/dbraw/zinc/96/12/26/372961226.db2.gz WIXDWUNGMCGLCT-ONGXEEELSA-N 2 0 282.344 -1.865 20 0 CAADRP C[NH+](C)[C@H]1CN(C(=O)[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)C[C@@H]1O ZINC000635948169 372977858 /nfs/dbraw/zinc/97/78/58/372977858.db2.gz JRLIIRRPHPMZCI-VOAKCMCISA-N 2 0 283.372 -1.017 20 0 CAADRP C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000580054941 373010928 /nfs/dbraw/zinc/01/09/28/373010928.db2.gz PLDGQZIPLKPMRD-RYUDHWBXSA-N 2 0 299.419 -1.456 20 0 CAADRP CN1CCN(C(=O)COC2CC[NH2+]CC2)[C@H](C[NH3+])C1 ZINC000570396101 372993913 /nfs/dbraw/zinc/99/39/13/372993913.db2.gz XDOWBRDRKHPXID-LLVKDONJSA-N 2 0 270.377 -1.144 20 0 CAADRP C[C@H]1C[NH2+]CCN1C(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000580072549 373011077 /nfs/dbraw/zinc/01/10/77/373011077.db2.gz APJWBVWCDKGCJI-UWVGGRQHSA-N 2 0 254.334 -1.325 20 0 CAADRP C[C@H](CC[NH+](C)C)NC(=O)C(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000580054942 373011123 /nfs/dbraw/zinc/01/11/23/373011123.db2.gz PLDGQZIPLKPMRD-VXGBXAGGSA-N 2 0 299.419 -1.456 20 0 CAADRP O=C(CNC(=O)N[C@H]1CC[NH2+]C1)N1CC[NH2+]CC1 ZINC000565251715 373002602 /nfs/dbraw/zinc/00/26/02/373002602.db2.gz ZMMPLNQCCLMYGZ-VIFPVBQESA-N 2 0 255.322 -1.921 20 0 CAADRP CN(CC(=O)N1CC[NH2+]CC1)C(=O)COC1CC[NH2+]CC1 ZINC000570840578 373003898 /nfs/dbraw/zinc/00/38/98/373003898.db2.gz YUFJVUAEMSMJHL-UHFFFAOYSA-N 2 0 298.387 -1.355 20 0 CAADRP [NH3+]C[C@H]1CN(C(=O)CCOC2C[NH2+]C2)CCCO1 ZINC000570842138 373004458 /nfs/dbraw/zinc/00/44/58/373004458.db2.gz SCJGTRWWEHCELU-JTQLQIEISA-N 2 0 257.334 -1.059 20 0 CAADRP CO[C@@H](C[NH3+])CC(=O)N1CCC[C@@H](N2CCNCC2=O)C1 ZINC000570926860 373004906 /nfs/dbraw/zinc/00/49/06/373004906.db2.gz MMPRDCGXXVPNIR-VXGBXAGGSA-N 2 0 298.387 -1.227 20 0 CAADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000570841588 373005421 /nfs/dbraw/zinc/00/54/21/373005421.db2.gz IJPWBVCYHXQVQR-MXWKQRLJSA-N 2 0 268.361 -1.031 20 0 CAADRP C[C@H]1C[NH2+]CCN1C(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000580072552 373010491 /nfs/dbraw/zinc/01/04/91/373010491.db2.gz APJWBVWCDKGCJI-VHSXEESVSA-N 2 0 254.334 -1.325 20 0 CAADRP [NH3+][C@H]1C[C@@H](C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)C1 ZINC000569744230 372982428 /nfs/dbraw/zinc/98/24/28/372982428.db2.gz HZDONRBTOMLEOO-QCLAVDOMSA-N 2 0 252.318 -1.506 20 0 CAADRP CNS(=O)(=O)[C@@H]1CCC[N@H+](CCOCC[NH3+])C1 ZINC000569972257 372986390 /nfs/dbraw/zinc/98/63/90/372986390.db2.gz TZRAXMSOKVBPKS-SNVBAGLBSA-N 2 0 265.379 -1.025 20 0 CAADRP CN1CCN(C(=O)C[C@@H]2C[NH2+]CCO2)[C@@H](C[NH3+])C1 ZINC000162513717 373010653 /nfs/dbraw/zinc/01/06/53/373010653.db2.gz XZZGRYDYKUBQJT-WDEREUQCSA-N 2 0 256.350 -1.534 20 0 CAADRP [NH3+][C@H](CNC(=O)CNC(=O)[C@H]1CCC[NH2+]1)C1CC1 ZINC000570041616 372987886 /nfs/dbraw/zinc/98/78/86/372987886.db2.gz BJXVUJYKPHLLGM-NXEZZACHSA-N 2 0 254.334 -1.292 20 0 CAADRP [NH3+][C@H](CNC(=O)CNC(=O)[C@@H]1CCC[NH2+]1)C1CC1 ZINC000570041620 372987973 /nfs/dbraw/zinc/98/79/73/372987973.db2.gz BJXVUJYKPHLLGM-ZJUUUORDSA-N 2 0 254.334 -1.292 20 0 CAADRP COC(=O)C[C@H]([NH3+])C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000580191062 373014938 /nfs/dbraw/zinc/01/49/38/373014938.db2.gz GOZHDAKKDWNKJL-MNOVXSKESA-N 2 0 284.360 -1.617 20 0 CAADRP COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)[C@@H]1C[NH2+]CCO1 ZINC000592547662 373075174 /nfs/dbraw/zinc/07/51/74/373075174.db2.gz IZXZTSHOFCESLA-UWVGGRQHSA-N 2 0 271.317 -1.662 20 0 CAADRP COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000592556145 373076435 /nfs/dbraw/zinc/07/64/35/373076435.db2.gz QWSALPBLFPUYPZ-ZRUFSTJUSA-N 2 0 267.329 -1.185 20 0 CAADRP COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)C[C@H]1COCC[NH2+]1 ZINC000592550622 373076491 /nfs/dbraw/zinc/07/64/91/373076491.db2.gz ALEMADDEWRBHKI-QWRGUYRKSA-N 2 0 285.344 -1.272 20 0 CAADRP COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)C[C@H](C[NH3+])OC ZINC000592550601 373076596 /nfs/dbraw/zinc/07/65/96/373076596.db2.gz ABJAFXMNXVKWTK-ZJUUUORDSA-N 2 0 273.333 -1.286 20 0 CAADRP COC(=O)[C@H]1C[NH2+]CCCN1C(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000592556144 373076657 /nfs/dbraw/zinc/07/66/57/373076657.db2.gz QWSALPBLFPUYPZ-YTWAJWBKSA-N 2 0 267.329 -1.185 20 0 CAADRP COC(=O)[C@H]1C[NH2+]CCCN1C(=O)C[C@H]1COCC[NH2+]1 ZINC000592550623 373076763 /nfs/dbraw/zinc/07/67/63/373076763.db2.gz ALEMADDEWRBHKI-WDEREUQCSA-N 2 0 285.344 -1.272 20 0 CAADRP COC(=O)[C@H]1C[NH2+]CCCN1C(=O)C[C@H](C[NH3+])OC ZINC000592550590 373077353 /nfs/dbraw/zinc/07/73/53/373077353.db2.gz ABJAFXMNXVKWTK-NXEZZACHSA-N 2 0 273.333 -1.286 20 0 CAADRP COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)COC1(C)C[NH2+]C1 ZINC000592556846 373079132 /nfs/dbraw/zinc/07/91/32/373079132.db2.gz VGKNRLLJYKAUQW-JTQLQIEISA-N 2 0 285.344 -1.272 20 0 CAADRP [NH3+][C@@H]1C[C@H]2CN(C(=O)CC[NH2+]C3CC3)CCN2C1=O ZINC000594878056 373106421 /nfs/dbraw/zinc/10/64/21/373106421.db2.gz BVNAGWROYRORMI-WDEREUQCSA-N 2 0 266.345 -1.101 20 0 CAADRP CC[C@H]([NH2+]C)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000594879376 373106471 /nfs/dbraw/zinc/10/64/71/373106471.db2.gz NIDPJJUIJTZYNA-BBBLOLIVSA-N 2 0 254.334 -1.245 20 0 CAADRP CC[C@H]([NH2+]C)C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000594879378 373106783 /nfs/dbraw/zinc/10/67/83/373106783.db2.gz NIDPJJUIJTZYNA-UTLUCORTSA-N 2 0 254.334 -1.245 20 0 CAADRP [NH3+][C@@H]1CCC[C@@H]1C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000594878381 373106864 /nfs/dbraw/zinc/10/68/64/373106864.db2.gz HBHHFPNPAFQUKG-YTWAJWBKSA-N 2 0 266.345 -1.116 20 0 CAADRP [NH3+][C@H]1C[C@@H]2CN(C(=O)[C@H]3CCC[NH2+]3)CCN2C1=O ZINC000594874021 373106907 /nfs/dbraw/zinc/10/69/07/373106907.db2.gz ZRWDJYNHOSXIOS-KXUCPTDWSA-N 2 0 252.318 -1.491 20 0 CAADRP [NH3+][C@@H]1C[C@H]2CN(C(=O)[C@@H]3C[C@H]4C[C@H]4[NH2+]3)CCN2C1=O ZINC000594879629 373107117 /nfs/dbraw/zinc/10/71/17/373107117.db2.gz CKHDWDPXZIMQLB-QGKZMRNZSA-N 2 0 264.329 -1.493 20 0 CAADRP CC(C)([NH3+])CC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000594873928 373107146 /nfs/dbraw/zinc/10/71/46/373107146.db2.gz TXAMFIMJDKHVOE-BDAKNGLRSA-N 2 0 254.334 -1.116 20 0 CAADRP CC(C)OC[C@H]([NH3+])C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000594879768 373107327 /nfs/dbraw/zinc/10/73/27/373107327.db2.gz PILPFWQSQFLLQI-DCAQKATOSA-N 2 0 284.360 -1.491 20 0 CAADRP [NH3+][C@H]1C[C@H]2CN(C(=O)[C@]34C[NH2+]C[C@H]3COC4)CCN2C1=O ZINC000594879336 373107574 /nfs/dbraw/zinc/10/75/74/373107574.db2.gz MZSYMIHMUYKEJO-RMIALFOJSA-N 2 0 294.355 -2.007 20 0 CAADRP CC(C)([NH3+])CC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000594873931 373107777 /nfs/dbraw/zinc/10/77/77/373107777.db2.gz TXAMFIMJDKHVOE-RKDXNWHRSA-N 2 0 254.334 -1.116 20 0 CAADRP COC[C@]1(C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)CCC[NH2+]1 ZINC000594878322 373107853 /nfs/dbraw/zinc/10/78/53/373107853.db2.gz ZLCHWPBVFXJBCN-SUNKGSAMSA-N 2 0 296.371 -1.475 20 0 CAADRP C[C@@H]1C[NH2+]C[C@H](C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)O1 ZINC000594878357 373107859 /nfs/dbraw/zinc/10/78/59/373107859.db2.gz GUGGMOLDGAUVLR-CHWFTXMASA-N 2 0 282.344 -1.866 20 0 CAADRP CC1(OCC(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)C[NH2+]C1 ZINC000594879705 373107915 /nfs/dbraw/zinc/10/79/15/373107915.db2.gz KKSSHPYHDMAXIW-ZJUUUORDSA-N 2 0 282.344 -1.865 20 0 CAADRP [NH3+][C@H]1C[C@@H]2CN(C(=O)[C@]34C[NH2+]C[C@H]3COC4)CCN2C1=O ZINC000594879333 373107966 /nfs/dbraw/zinc/10/79/66/373107966.db2.gz MZSYMIHMUYKEJO-MIJXAVMKSA-N 2 0 294.355 -2.007 20 0 CAADRP CC1(OCC(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)C[NH2+]C1 ZINC000594879702 373108087 /nfs/dbraw/zinc/10/80/87/373108087.db2.gz KKSSHPYHDMAXIW-NXEZZACHSA-N 2 0 282.344 -1.865 20 0 CAADRP CC1(OCC(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)C[NH2+]C1 ZINC000594879704 373108148 /nfs/dbraw/zinc/10/81/48/373108148.db2.gz KKSSHPYHDMAXIW-VHSXEESVSA-N 2 0 282.344 -1.865 20 0 CAADRP [NH3+][C@@H]1C[C@H]2CN(C(=O)NCC34CC(C3)C[NH2+]4)CCN2C1=O ZINC000595273192 373110063 /nfs/dbraw/zinc/11/00/63/373110063.db2.gz KGZYASBGQOQBNL-DUEVMTECSA-N 2 0 293.371 -1.308 20 0 CAADRP [NH3+][C@H]1C[C@@H]2CN(C(=O)NCC[NH2+]C3CC3)CCN2C1=O ZINC000595267456 373110211 /nfs/dbraw/zinc/11/02/11/373110211.db2.gz LHXRKBVPHUEMGC-MNOVXSKESA-N 2 0 281.360 -1.308 20 0 CAADRP [NH3+][C@@H]1C[C@@H]2CN(C(=O)NC[C@H]3CCC[NH2+]3)CCN2C1=O ZINC000595268458 373110255 /nfs/dbraw/zinc/11/02/55/373110255.db2.gz UORKJPIIOAMXPQ-GMTAPVOTSA-N 2 0 281.360 -1.308 20 0 CAADRP C[NH2+][C@H](C)CNC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000595274578 373111113 /nfs/dbraw/zinc/11/11/13/373111113.db2.gz TZTHOLKSYFYTIU-KXUCPTDWSA-N 2 0 269.349 -1.452 20 0 CAADRP C[NH2+]C[C@H](C)NC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000595276244 373111436 /nfs/dbraw/zinc/11/14/36/373111436.db2.gz WJGNOQBAHHKUQM-LPEHRKFASA-N 2 0 269.349 -1.452 20 0 CAADRP COC(=O)[C@@H]1C[NH2+]CCCN1CCN1CC[NH2+]CC1 ZINC000592488914 373071715 /nfs/dbraw/zinc/07/17/15/373071715.db2.gz NSDKQUDEEQJUCA-LBPRGKRZSA-N 2 0 270.377 -1.272 20 0 CAADRP COC(=O)[C@H]1C[NH2+]CCCN1CCN1CC[NH2+]CC1 ZINC000592488913 373072815 /nfs/dbraw/zinc/07/28/15/373072815.db2.gz NSDKQUDEEQJUCA-GFCCVEGCSA-N 2 0 270.377 -1.272 20 0 CAADRP [NH3+][C@@H]1C[C@@H]2CN(C[C@H]3CCC4(C[NH2+]C4)O3)CCN2C1=O ZINC000595902689 373122622 /nfs/dbraw/zinc/12/26/22/373122622.db2.gz GCZXHRMSAHTVJO-IJLUTSLNSA-N 2 0 280.372 -1.249 20 0 CAADRP CC[NH+]1CCN([C@@H]2CCN(C(=O)C3(O)C[NH2+]C3)C2)CC1 ZINC000595954586 373125567 /nfs/dbraw/zinc/12/55/67/373125567.db2.gz JTSMMVFGGFWWCS-GFCCVEGCSA-N 2 0 282.388 -1.441 20 0 CAADRP [NH3+][C@@H]1C[C@@H]2CN(C(=O)C3(O)C[NH2+]C3)CCN2C1=O ZINC000595969013 373126563 /nfs/dbraw/zinc/12/65/63/373126563.db2.gz BBAZFQFCXOXCEC-HTQZYQBOSA-N 2 0 254.290 -2.909 20 0 CAADRP [NH3+][C@H]1C[C@H]2CN(C(=O)C3(O)C[NH2+]C3)CCN2C1=O ZINC000595969018 373127112 /nfs/dbraw/zinc/12/71/12/373127112.db2.gz BBAZFQFCXOXCEC-YUMQZZPRSA-N 2 0 254.290 -2.909 20 0 CAADRP COC(=O)C[C@H]([NH3+])C(=O)NC[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000595975743 373127153 /nfs/dbraw/zinc/12/71/53/373127153.db2.gz KISNJNVTEFBPGB-MNOVXSKESA-N 2 0 284.360 -1.617 20 0 CAADRP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)CNC(=O)C[NH3+] ZINC000563094356 373216238 /nfs/dbraw/zinc/21/62/38/373216238.db2.gz GXDHZBNQPNEMSU-LLVKDONJSA-N 2 0 286.376 -1.370 20 0 CAADRP C[C@@H]1CN(C(=O)CNC(=O)[C@H]2CCC[NH2+]2)C[C@H]1[NH3+] ZINC000563115461 373218707 /nfs/dbraw/zinc/21/87/07/373218707.db2.gz UQOUZKBQWQODBD-OPRDCNLKSA-N 2 0 254.334 -1.340 20 0 CAADRP COCCCNC(=O)CN(C)CCN1CC[NH2+]CC1 ZINC000071150525 373218809 /nfs/dbraw/zinc/21/88/09/373218809.db2.gz WJRDXBCZBKRLTM-UHFFFAOYSA-N 2 0 272.393 -1.024 20 0 CAADRP CN1CCN(C(=O)CCOC2C[NH2+]C2)[C@@H](C[NH3+])C1 ZINC000563101759 373219760 /nfs/dbraw/zinc/21/97/60/373219760.db2.gz NNNSHUVMGAVGNJ-JTQLQIEISA-N 2 0 256.350 -1.534 20 0 CAADRP O=C(C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1)N1CCNC(=O)C1 ZINC000563150041 373223888 /nfs/dbraw/zinc/22/38/88/373223888.db2.gz UXZGLTGVRUZFKD-TXEJJXNPSA-N 2 0 280.372 -1.124 20 0 CAADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000599941104 373187416 /nfs/dbraw/zinc/18/74/16/373187416.db2.gz WTRFVQZCPCBBPZ-LNFKQOIKSA-N 2 0 281.360 -1.310 20 0 CAADRP C[C@@H](NS(C)(=O)=O)C(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000567829756 373187998 /nfs/dbraw/zinc/18/79/98/373187998.db2.gz NADHFBWCWGIUPY-BDAKNGLRSA-N 2 0 278.378 -1.975 20 0 CAADRP CN(C)C(=O)C[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000063179690 373197492 /nfs/dbraw/zinc/19/74/92/373197492.db2.gz NDNHGQQSRMLZDU-JTQLQIEISA-N 2 0 256.350 -1.139 20 0 CAADRP COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)CN1CC[NH2+]CC1 ZINC000602490611 373199824 /nfs/dbraw/zinc/19/98/24/373199824.db2.gz CYWJRBKXGCUVJZ-NSHDSACASA-N 2 0 284.360 -1.745 20 0 CAADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)C1 ZINC000602526867 373204024 /nfs/dbraw/zinc/20/40/24/373204024.db2.gz PXIULIJZPCUWGX-ZHPDPMBESA-N 2 0 296.371 -1.476 20 0 CAADRP CN(C)S(=O)(=O)CC[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000311669859 373298433 /nfs/dbraw/zinc/29/84/33/373298433.db2.gz LKELXGCYRRZHKD-GFCCVEGCSA-N 2 0 290.433 -1.143 20 0 CAADRP COC[C@@]1(C(=O)NCC(=O)N2CC[NH2+]CC2)CCCC[NH2+]1 ZINC000637813268 373350397 /nfs/dbraw/zinc/35/03/97/373350397.db2.gz OIGMZAZTLHGBQF-CQSZACIVSA-N 2 0 298.387 -1.307 20 0 CAADRP CO[C@@H]1C[NH2+][C@@](C)(C(=O)NCCN2CC[NH2+]CC2)C1 ZINC000637812287 373350905 /nfs/dbraw/zinc/35/09/05/373350905.db2.gz WWGGETGPVNOUJW-WCQYABFASA-N 2 0 270.377 -1.225 20 0 CAADRP O=C(CNC(=O)[C@@H]1C[N@@H+]2CCC[C@H]2CO1)N1CC[NH2+]CC1 ZINC000637812805 373351633 /nfs/dbraw/zinc/35/16/33/373351633.db2.gz CPBJWMDESDCRNI-RYUDHWBXSA-N 2 0 296.371 -1.602 20 0 CAADRP C[N@@H+]1CC[C@H](CC(=O)NCC(=O)N2CC[NH2+]CC2)C1 ZINC000637813127 373352183 /nfs/dbraw/zinc/35/21/83/373352183.db2.gz KHXBJDPQVZJMDW-LLVKDONJSA-N 2 0 268.361 -1.124 20 0 CAADRP O=C(CNC(=O)[C@H]1C[N@@H+]2CCC[C@@H]2CO1)N1CC[NH2+]CC1 ZINC000637812806 373352388 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[NH3+]C[C@]1(C(=O)NCC(=O)N2CC[NH2+]CC2)CCCOC1 ZINC000637814341 373355184 /nfs/dbraw/zinc/35/51/84/373355184.db2.gz YVBMMLSQZKMXHQ-CYBMUJFWSA-N 2 0 284.360 -1.710 20 0 CAADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)NCC(=O)N2CC[NH2+]CC2)C1 ZINC000637811069 373355230 /nfs/dbraw/zinc/35/52/30/373355230.db2.gz QBJFZQBURPSUEU-GWCFXTLKSA-N 2 0 284.360 -1.699 20 0 CAADRP CN(CC(=O)N1CC[NH2+]CC1)C(=O)[C@]1(C[NH3+])CCCOC1 ZINC000637810628 373355327 /nfs/dbraw/zinc/35/53/27/373355327.db2.gz MTMDHVHREUQDRN-AWEZNQCLSA-N 2 0 298.387 -1.368 20 0 CAADRP CN1CCN(C(=O)CN2CC[NH2+]CC2)[C@@H](C[NH3+])C1 ZINC000637864056 373356552 /nfs/dbraw/zinc/35/65/52/373356552.db2.gz KXHJACLDKMMDTL-NSHDSACASA-N 2 0 255.366 -2.007 20 0 CAADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)[C@]2(C)C[NH2+]CCO2)CCO1 ZINC000637867317 373357348 /nfs/dbraw/zinc/35/73/48/373357348.db2.gz SNKVTHZSPZOYJQ-NHCYSSNCSA-N 2 0 257.334 -1.061 20 0 CAADRP CN(CCN1CC[NH2+]CC1)C(=O)CN1CC[NH2+]CC1 ZINC000637835640 373357402 /nfs/dbraw/zinc/35/74/02/373357402.db2.gz PDVXMQOREALTIP-UHFFFAOYSA-N 2 0 269.393 -1.745 20 0 CAADRP C[C@H]([NH3+])[C@H]1CN(C(=O)[C@@]2(C)C[NH2+]CCO2)CCO1 ZINC000637867296 373357741 /nfs/dbraw/zinc/35/77/41/373357741.db2.gz SNKVTHZSPZOYJQ-HOSYDEDBSA-N 2 0 257.334 -1.061 20 0 CAADRP O=C(CN1CC[NH2+]CC1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000638239339 373403016 /nfs/dbraw/zinc/40/30/16/373403016.db2.gz BEBKCYCVFDLEBU-ZDUSSCGKSA-N 2 0 281.404 -1.602 20 0 CAADRP C[C@@]1(C(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)C[NH2+]CCO1 ZINC000638239449 373403332 /nfs/dbraw/zinc/40/33/32/373403332.db2.gz BXHQZRTZQQWZPL-OCCSQVGLSA-N 2 0 282.388 -1.129 20 0 CAADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)NC[C@H]2C[NH2+]CCO2)C1 ZINC000638337957 373415449 /nfs/dbraw/zinc/41/54/49/373415449.db2.gz NTXRLMYAKGLCNH-UMNHJUIQSA-N 2 0 257.334 -1.142 20 0 CAADRP CO[C@H]1C[NH2+][C@](C)(C(=O)N2CCOC3(C[NH2+]C3)C2)C1 ZINC000638436847 373422773 /nfs/dbraw/zinc/42/27/73/373422773.db2.gz GCALXSVWYIMIJD-PWSUYJOCSA-N 2 0 269.345 -1.046 20 0 CAADRP [NH3+][C@@H]1CCO[C@@H]1C(=O)NC[C@H]1C[N@@H+]2CCN1CCC2 ZINC000638424299 373423016 /nfs/dbraw/zinc/42/30/16/373423016.db2.gz HANOLAGSHDCFSD-TUAOUCFPSA-N 2 0 268.361 -1.391 20 0 CAADRP C[C@@]1(C(=O)NC[C@H]2C[N@@H+]3CCN2CCC3)C[NH2+]CCO1 ZINC000638427957 373423338 /nfs/dbraw/zinc/42/33/38/373423338.db2.gz XXETUGAAZCJNQV-JSGCOSHPSA-N 2 0 282.388 -1.129 20 0 CAADRP C[C@]1(C(=O)N2CCOC3(C[NH2+]C3)C2)C[NH2+]CCO1 ZINC000638437850 373423377 /nfs/dbraw/zinc/42/33/77/373423377.db2.gz PNPARKZIWDYQPX-LLVKDONJSA-N 2 0 255.318 -1.434 20 0 CAADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)N2CCOC3(C[NH2+]C3)C2)C1 ZINC000638436846 373423430 /nfs/dbraw/zinc/42/34/30/373423430.db2.gz GCALXSVWYIMIJD-JQWIXIFHSA-N 2 0 269.345 -1.046 20 0 CAADRP O=C(C[NH2+]C1CC1)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000638479617 373424745 /nfs/dbraw/zinc/42/47/45/373424745.db2.gz AOLKOEUKJRDMKG-UHFFFAOYSA-N 2 0 295.387 -1.092 20 0 CAADRP CC1(C(=O)N2CCN(C(=O)N3CC[NH2+]CC3)CC2)C[NH2+]C1 ZINC000638483183 373424845 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COCC[N@@H+]1CC[C@H](NC(=O)CN2CC[NH2+]CC2)C1 ZINC000638101413 373384641 /nfs/dbraw/zinc/38/46/41/373384641.db2.gz PNYFKYKLPZKMQB-LBPRGKRZSA-N 2 0 270.377 -1.272 20 0 CAADRP COCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2OCC[C@@H]2[NH3+])C1 ZINC000638101391 373385248 /nfs/dbraw/zinc/38/52/48/373385248.db2.gz PLAMMXMQXBATFP-GARJFASQSA-N 2 0 257.334 -1.061 20 0 CAADRP COCCC[N@H+](C)CCNC(=O)CN1CC[NH2+]CC1 ZINC000638121001 373387836 /nfs/dbraw/zinc/38/78/36/373387836.db2.gz BQPHEQFRIDLNAQ-UHFFFAOYSA-N 2 0 272.393 -1.024 20 0 CAADRP C[C@H](CNC(=O)CN1CC[NH2+]CC1)C[NH+]1CCN(C)CC1 ZINC000638137196 373388595 /nfs/dbraw/zinc/38/85/95/373388595.db2.gz GUJCEAYCQKUCGB-CQSZACIVSA-N 2 0 297.447 -1.109 20 0 CAADRP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)CN1CC[NH2+]CC1 ZINC000638141376 373388672 /nfs/dbraw/zinc/38/86/72/373388672.db2.gz TUMKQFIXUTWSND-ZDUSSCGKSA-N 2 0 283.420 -1.356 20 0 CAADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)[C@@]1(C)C[NH2+]CCO1 ZINC000638139564 373391147 /nfs/dbraw/zinc/39/11/47/373391147.db2.gz MCJYRUCHTFLNQW-WCQYABFASA-N 2 0 270.377 -1.273 20 0 CAADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)[C@]1(C)C[NH2+]CCO1 ZINC000638139565 373391265 /nfs/dbraw/zinc/39/12/65/373391265.db2.gz MCJYRUCHTFLNQW-YPMHNXCESA-N 2 0 270.377 -1.273 20 0 CAADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)[C@@]1(C)C[NH2+]CCO1 ZINC000638139562 373392906 /nfs/dbraw/zinc/39/29/06/373392906.db2.gz MCJYRUCHTFLNQW-DGCLKSJQSA-N 2 0 270.377 -1.273 20 0 CAADRP [NH3+]C[C@@H]1CN(C(=O)[C@]2(C[NH3+])CCCOC2)CCO1 ZINC000638171920 373393844 /nfs/dbraw/zinc/39/38/44/373393844.db2.gz MPMULRQSSNZLEF-PWSUYJOCSA-N 2 0 257.334 -1.072 20 0 CAADRP CO[C@@H]1C[NH2+][C@@](C)(C(=O)N2CCO[C@@H](C[NH3+])C2)C1 ZINC000638171585 373395540 /nfs/dbraw/zinc/39/55/40/373395540.db2.gz MFMVZKLDMFFMDK-JBLDHEPKSA-N 2 0 257.334 -1.061 20 0 CAADRP [NH3+]C[C@@H]1CN(C(=O)[C@@]2(C[NH3+])CCCOC2)CCO1 ZINC000638171922 373395617 /nfs/dbraw/zinc/39/56/17/373395617.db2.gz MPMULRQSSNZLEF-ZYHUDNBSSA-N 2 0 257.334 -1.072 20 0 CAADRP O=C(CN1CC[NH2+]CC1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000638226988 373400333 /nfs/dbraw/zinc/40/03/33/373400333.db2.gz LALQIAPRFCKNSR-ZDUSSCGKSA-N 2 0 281.404 -1.602 20 0 CAADRP C[C@@]1(C(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)C[NH2+]CCO1 ZINC000638226600 373400436 /nfs/dbraw/zinc/40/04/36/373400436.db2.gz HBBUXRIAVZJAFM-OCCSQVGLSA-N 2 0 282.388 -1.129 20 0 CAADRP C[NH+](CCOCC[N@@H+](C)[C@H]1CCNC1=O)[C@H]1CCNC1=O ZINC000340225440 373400567 /nfs/dbraw/zinc/40/05/67/373400567.db2.gz JCXARJBMNLYAPU-RYUDHWBXSA-N 2 0 298.387 -1.356 20 0 CAADRP C[NH2+]CCOCCNC(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC000638575947 373438660 /nfs/dbraw/zinc/43/86/60/373438660.db2.gz KYEXCDOLVQJQAS-JQWIXIFHSA-N 2 0 257.334 -1.425 20 0 CAADRP C[NH2+]CCOCCNC(=O)[C@@]1(COC)CC[NH2+]C1 ZINC000638576364 373438748 /nfs/dbraw/zinc/43/87/48/373438748.db2.gz FLBRAVJFOXBHLT-LBPRGKRZSA-N 2 0 259.350 -1.035 20 0 CAADRP C[NH2+]CCOCCN(C)C(=O)CNC(=O)[C@@H]([NH3+])C(C)C ZINC000638592796 373442282 /nfs/dbraw/zinc/44/22/82/373442282.db2.gz QIXIWYDIBNDQMB-LBPRGKRZSA-N 2 0 288.392 -1.220 20 0 CAADRP CN1CCOC[C@@H]1CNC(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC000638608551 373443567 /nfs/dbraw/zinc/44/35/67/373443567.db2.gz BOXSKHKQHAYXAD-GVXVVHGQSA-N 2 0 269.345 -1.331 20 0 CAADRP [NH3+]C[C@]1(C(=O)NC[C@H]2COCC[NH2+]2)CCCOC1 ZINC000638612263 373444960 /nfs/dbraw/zinc/44/49/60/373444960.db2.gz NYXAFGHYLKNLLO-CMPLNLGQSA-N 2 0 257.334 -1.154 20 0 CAADRP [NH3+]C[C@]1(C(=O)NC[C@@H]2COCC[NH2+]2)CCCOC1 ZINC000638612266 373445102 /nfs/dbraw/zinc/44/51/02/373445102.db2.gz NYXAFGHYLKNLLO-ZYHUDNBSSA-N 2 0 257.334 -1.154 20 0 CAADRP O=C(NC[C@@H]1COCC[NH2+]1)[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000638612878 373445491 /nfs/dbraw/zinc/44/54/91/373445491.db2.gz SVTRFMYXGVDNSH-WOPDTQHZSA-N 2 0 269.345 -1.046 20 0 CAADRP COC[C@]1(C(=O)NC[C@H]2COCC[NH2+]2)CC[NH2+]C1 ZINC000638615921 373445926 /nfs/dbraw/zinc/44/59/26/373445926.db2.gz GPFIJBNCRFRDGY-JQWIXIFHSA-N 2 0 257.334 -1.283 20 0 CAADRP COC[C@]1(C(=O)NC[C@@H]2COCC[NH2+]2)CC[NH2+]C1 ZINC000638615922 373446165 /nfs/dbraw/zinc/44/61/65/373446165.db2.gz GPFIJBNCRFRDGY-PWSUYJOCSA-N 2 0 257.334 -1.283 20 0 CAADRP O=C(NC[C@@H]1COCC[NH2+]1)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000638612876 373446391 /nfs/dbraw/zinc/44/63/91/373446391.db2.gz SVTRFMYXGVDNSH-IJLUTSLNSA-N 2 0 269.345 -1.046 20 0 CAADRP COC[C@]1(C(=O)NC[C@@H]2COCC[NH2+]2)CCC[NH2+]1 ZINC000638617313 373447590 /nfs/dbraw/zinc/44/75/90/373447590.db2.gz TZIUOVCTQHPFRI-PWSUYJOCSA-N 2 0 257.334 -1.140 20 0 CAADRP O=C(C[NH2+]C[C@@H]1CCCO1)NC[C@@H]1COCC[NH2+]1 ZINC000638626002 373447922 /nfs/dbraw/zinc/44/79/22/373447922.db2.gz WOAHWRNGSWZYMS-MNOVXSKESA-N 2 0 257.334 -1.140 20 0 CAADRP C[NH+](C)CCN1C[C@@H](C(=O)NC[C@@H]2COCC[NH2+]2)CC1=O ZINC000638619300 373448723 /nfs/dbraw/zinc/44/87/23/373448723.db2.gz RWYPATVVVACIMD-NWDGAFQWSA-N 2 0 298.387 -1.499 20 0 CAADRP [NH3+]CCCOCCNC(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC000638664491 373452996 /nfs/dbraw/zinc/45/29/96/373452996.db2.gz XSEGXXDLALGOPE-JQWIXIFHSA-N 2 0 257.334 -1.296 20 0 CAADRP CN(CCOCC[NH3+])C(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC000638673054 373455434 /nfs/dbraw/zinc/45/54/34/373455434.db2.gz NSZCOHOYRONLJH-JQWIXIFHSA-N 2 0 257.334 -1.344 20 0 CAADRP CN(CCOCC[NH3+])C(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000638674033 373456355 /nfs/dbraw/zinc/45/63/55/373456355.db2.gz DCMVDZUVNRJJSP-LLVKDONJSA-N 2 0 286.376 -1.322 20 0 CAADRP CN(CCOCC[NH3+])C(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000638674034 373456861 /nfs/dbraw/zinc/45/68/61/373456861.db2.gz DCMVDZUVNRJJSP-NSHDSACASA-N 2 0 286.376 -1.322 20 0 CAADRP C[C@@H]1CN(C(=O)CNC(=O)[C@@H]2CCC[NH2+]2)C[C@H]1C[NH3+] ZINC000638896783 373481493 /nfs/dbraw/zinc/48/14/93/373481493.db2.gz YEQUQWPRGPHXGD-MXWKQRLJSA-N 2 0 268.361 -1.092 20 0 CAADRP C[NH+](C)CCN1C[C@H](C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)CC1=O ZINC000638914506 373482156 /nfs/dbraw/zinc/48/21/56/373482156.db2.gz SRPXCPMVUAICMN-WOPDTQHZSA-N 2 0 280.372 -1.031 20 0 CAADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000638767778 373470656 /nfs/dbraw/zinc/47/06/56/373470656.db2.gz KHNUGNFEFCAJRU-IVZWLZJFSA-N 2 0 254.334 -1.279 20 0 CAADRP C[C@H](CNC(=O)CNC(=O)C[NH3+])C[NH+]1CCCC1 ZINC000059930911 373499591 /nfs/dbraw/zinc/49/95/91/373499591.db2.gz CLCOSKXQUKUASE-SNVBAGLBSA-N 2 0 256.350 -1.091 20 0 CAADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)[C@H]1C[NH+]2CCN1CCC2 ZINC000343620983 373509130 /nfs/dbraw/zinc/50/91/30/373509130.db2.gz JAYLGWMIUIKQGY-UONOGXRCSA-N 2 0 295.431 -1.262 20 0 CAADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)[C@@H]1C[NH+]2CCN1CCC2 ZINC000343620979 373509572 /nfs/dbraw/zinc/50/95/72/373509572.db2.gz JAYLGWMIUIKQGY-KBPBESRZSA-N 2 0 295.431 -1.262 20 0 CAADRP C[C@@H]1[C@@H]([NH3+])CCN1C(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000343590538 373510867 /nfs/dbraw/zinc/51/08/67/373510867.db2.gz INUNJYOWIRBMQL-KXUCPTDWSA-N 2 0 254.334 -1.197 20 0 CAADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)[C@H]1C[NH+]2CCN1CCC2 ZINC000343620985 373513680 /nfs/dbraw/zinc/51/36/80/373513680.db2.gz JAYLGWMIUIKQGY-ZIAGYGMSSA-N 2 0 295.431 -1.262 20 0 CAADRP CC(C)Nc1nc(N[C@@H](C)C[NH+](C)C)nc(NCCO)[nH+]1 ZINC000343803493 373515710 /nfs/dbraw/zinc/51/57/10/373515710.db2.gz IEDJQUXUUXWFCB-JTQLQIEISA-N 2 0 297.407 -1.276 20 0 CAADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000638938064 373483397 /nfs/dbraw/zinc/48/33/97/373483397.db2.gz WBLPHSYQWZPGJX-OPRDCNLKSA-N 2 0 254.334 -1.197 20 0 CAADRP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)CNC(=O)C[NH3+] ZINC000125205366 373487975 /nfs/dbraw/zinc/48/79/75/373487975.db2.gz PPBOJBRUTPWHIN-JTQLQIEISA-N 2 0 256.350 -1.139 20 0 CAADRP COC(=O)CNC(=O)CC[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000609536213 373489874 /nfs/dbraw/zinc/48/98/74/373489874.db2.gz IQVWPVPKNOVVLY-AOOOYVTPSA-N 2 0 255.318 -1.183 20 0 CAADRP C[NH+]1CCC(O)(CNC(=O)[C@H]2C[N@@H+]3CCN2CCC3)CC1 ZINC000535724218 373557988 /nfs/dbraw/zinc/55/79/88/373557988.db2.gz DODVVCVJBBNWSB-CYBMUJFWSA-N 2 0 296.415 -1.051 20 0 CAADRP O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)NCCN1CC[NH2+]CC1 ZINC000519398126 373563676 /nfs/dbraw/zinc/56/36/76/373563676.db2.gz AZIMDIFRAVCNCA-LBPRGKRZSA-N 2 0 297.403 -1.734 20 0 CAADRP C[NH+](C)CCCNC(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000351542259 373575445 /nfs/dbraw/zinc/57/54/45/373575445.db2.gz QUTWDFRPNSDSAM-JTQLQIEISA-N 2 0 256.350 -1.078 20 0 CAADRP C[C@H](CNC(=O)CNC(=O)[C@H]1CCC[NH2+]1)[NH+](C)C ZINC000351557317 373577222 /nfs/dbraw/zinc/57/72/22/373577222.db2.gz QASFEHCFBLBASW-NXEZZACHSA-N 2 0 256.350 -1.079 20 0 CAADRP C[C@@H](CNC(=O)CNC(=O)[C@H]1CCC[NH2+]1)[NH+](C)C ZINC000351557321 373577520 /nfs/dbraw/zinc/57/75/20/373577520.db2.gz QASFEHCFBLBASW-VHSXEESVSA-N 2 0 256.350 -1.079 20 0 CAADRP COCC[N@@H+]1CC[C@@H](NC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000351559400 373578006 /nfs/dbraw/zinc/57/80/06/373578006.db2.gz JBXUDYBDDDCVIM-NEPJUHHUSA-N 2 0 298.387 -1.309 20 0 CAADRP COCC[N@@H+]1CC[C@@H](NC(=O)CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000351559403 373578128 /nfs/dbraw/zinc/57/81/28/373578128.db2.gz JBXUDYBDDDCVIM-VXGBXAGGSA-N 2 0 298.387 -1.309 20 0 CAADRP O=C(CNC(=O)[C@H]1CCC[NH2+]1)NCCCN1CC[NH2+]CC1 ZINC000583261923 373637418 /nfs/dbraw/zinc/63/74/18/373637418.db2.gz MVXKGASVDGUIDN-GFCCVEGCSA-N 2 0 297.403 -1.734 20 0 CAADRP O=C(CCNC(=O)[C@H]1CCC[NH2+]1)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000583321578 373639877 /nfs/dbraw/zinc/63/98/77/373639877.db2.gz RGCBECCKNKMAKT-KLBPJQLPSA-N 2 0 266.345 -1.421 20 0 CAADRP COC[C@]1(C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)CC[NH2+]C1 ZINC000583274126 373640851 /nfs/dbraw/zinc/64/08/51/373640851.db2.gz OBXYVOGZZISXDJ-GYSYKLTISA-N 2 0 296.371 -1.617 20 0 CAADRP O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000583321579 373641075 /nfs/dbraw/zinc/64/10/75/373641075.db2.gz RGCBECCKNKMAKT-MIZYBKAJSA-N 2 0 266.345 -1.421 20 0 CAADRP CCNC(=O)CN1CCCN(C(=O)[C@H](C[NH3+])OC)CC1 ZINC000583813510 373641084 /nfs/dbraw/zinc/64/10/84/373641084.db2.gz WLPQSBVHLLAICO-NSHDSACASA-N 2 0 286.376 -1.370 20 0 CAADRP NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)N[C@H]1CC[NH2+]C1 ZINC000584541556 373644841 /nfs/dbraw/zinc/64/48/41/373644841.db2.gz NSLQSXDYULWLQT-WDEREUQCSA-N 2 0 283.376 -1.013 20 0 CAADRP CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)NC1C[NH2+]C1 ZINC000584711926 373649676 /nfs/dbraw/zinc/64/96/76/373649676.db2.gz MMUNLVUNUZHXQY-SECBINFHSA-N 2 0 256.350 -1.079 20 0 CAADRP C[C@@H](C[NH3+])C(=O)Nc1nc(N2CC[NH2+]CC2)n[nH]1 ZINC000584719400 373649849 /nfs/dbraw/zinc/64/98/49/373649849.db2.gz SWIDROMHGJYFOK-ZETCQYMHSA-N 2 0 253.310 -1.252 20 0 CAADRP C[C@@H]1CN(C(=O)NCC(=O)N2CC[NH2+]CC2)[C@H](C)C[NH2+]1 ZINC000584710112 373650246 /nfs/dbraw/zinc/65/02/46/373650246.db2.gz JRTQFISIPLYLHH-GHMZBOCLSA-N 2 0 283.376 -1.190 20 0 CAADRP CC(C)([NH3+])CNC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000583884047 373650364 /nfs/dbraw/zinc/65/03/64/373650364.db2.gz UCAWQCJSMQXASU-BDAKNGLRSA-N 2 0 269.349 -1.323 20 0 CAADRP C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000584710121 373650806 /nfs/dbraw/zinc/65/08/06/373650806.db2.gz JRTQFISIPLYLHH-WDEREUQCSA-N 2 0 283.376 -1.190 20 0 CAADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)[C@@H](N)CC(N)=O)C1 ZINC000353083044 373600746 /nfs/dbraw/zinc/60/07/46/373600746.db2.gz CYYCIEXIHMCUSV-QWRGUYRKSA-N 2 0 286.376 -1.338 20 0 CAADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N(C)CC[NH+](C)C ZINC000633116073 373656371 /nfs/dbraw/zinc/65/63/71/373656371.db2.gz OQTQUPXXDGKYSD-ZJUUUORDSA-N 2 0 256.350 -1.046 20 0 CAADRP C[C@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N(C)CC[NH+](C)C ZINC000633116071 373656489 /nfs/dbraw/zinc/65/64/89/373656489.db2.gz OQTQUPXXDGKYSD-UWVGGRQHSA-N 2 0 256.350 -1.046 20 0 CAADRP COCC[N@@H+]1CCC[C@H]1CNc1nc(N)[nH+]c(N)n1 ZINC000623934331 373619656 /nfs/dbraw/zinc/61/96/56/373619656.db2.gz NCZUHUQVQKCHON-QMMMGPOBSA-N 2 0 267.337 -1.359 20 0 CAADRP COCC[N@@H+]1CCC[C@@H]1CNc1nc(N)[nH+]c(N)n1 ZINC000623934330 373621002 /nfs/dbraw/zinc/62/10/02/373621002.db2.gz NCZUHUQVQKCHON-MRVPVSSYSA-N 2 0 267.337 -1.359 20 0 CAADRP C[C@@]1(NC(=O)NCCN2CC[NH2+]CC2)CC[NH2+]C1 ZINC000612912548 373714521 /nfs/dbraw/zinc/71/45/21/373714521.db2.gz XRAAAOXVNYUJCD-GFCCVEGCSA-N 2 0 255.366 -1.057 20 0 CAADRP O=C(CNC(=O)N[C@@H]1CC12CC[NH2+]CC2)N1CC[NH2+]CC1 ZINC000612988634 373716240 /nfs/dbraw/zinc/71/62/40/373716240.db2.gz UVOJKTZZPMFVCX-LLVKDONJSA-N 2 0 295.387 -1.141 20 0 CAADRP CN1CCN(C(=O)[C@H]2CCC(=O)NC2)[C@@H](C[NH3+])C1 ZINC000226293378 373661018 /nfs/dbraw/zinc/66/10/18/373661018.db2.gz JSYRDMCFIZYNLL-UWVGGRQHSA-N 2 0 254.334 -1.386 20 0 CAADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N[C@@H]2CC[NH2+][C@H]2C)C1 ZINC000627386772 373668819 /nfs/dbraw/zinc/66/88/19/373668819.db2.gz XDUAOWJFMDNELR-QJPTWQEYSA-N 2 0 298.387 -1.310 20 0 CAADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@@H]2CC[NH2+][C@H]2C)C1 ZINC000627386773 373668902 /nfs/dbraw/zinc/66/89/02/373668902.db2.gz XDUAOWJFMDNELR-SDDRHHMPSA-N 2 0 298.387 -1.310 20 0 CAADRP CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)N(CC[NH3+])CCO ZINC000419521825 373671912 /nfs/dbraw/zinc/67/19/12/373671912.db2.gz KVLNEJGOEGGLTO-LLVKDONJSA-N 2 0 288.392 -1.388 20 0 CAADRP COCCN(CC[NH+](C)C)C(=O)C(=O)N[C@H](C)CC[NH3+] ZINC000420000650 373674535 /nfs/dbraw/zinc/67/45/35/373674535.db2.gz UHEYTBITFRVUKV-LLVKDONJSA-N 2 0 288.392 -1.124 20 0 CAADRP O=C(CNC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2)N1CC[NH2+]CC1 ZINC000571777489 373675513 /nfs/dbraw/zinc/67/55/13/373675513.db2.gz OZHOHZQUEGLJBA-TXEJJXNPSA-N 2 0 295.387 -1.046 20 0 CAADRP C[NH2+]C[C@H](O)CNC[C@H](O)C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000572880699 373677772 /nfs/dbraw/zinc/67/77/72/373677772.db2.gz KCFZUUFBRWASNG-CYDGBPFRSA-N 2 0 275.393 -1.374 20 0 CAADRP C[NH2+]C[C@H](O)CNC[C@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000572880702 373678258 /nfs/dbraw/zinc/67/82/58/373678258.db2.gz KCFZUUFBRWASNG-RNJOBUHISA-N 2 0 275.393 -1.374 20 0 CAADRP CN(CC(=O)N1CC[NH2+]CC1)C(=O)[C@H]1C[NH2+]CCO1 ZINC000444162623 373771899 /nfs/dbraw/zinc/77/18/99/373771899.db2.gz WMBUUABRPKTYCJ-SNVBAGLBSA-N 2 0 270.333 -2.135 20 0 CAADRP C[C@@H](CN1CCOCC1)NC(=O)NC[C@@H]1COCC[NH2+]1 ZINC000626934179 373728464 /nfs/dbraw/zinc/72/84/64/373728464.db2.gz CKEFFUFCSHGNNE-NWDGAFQWSA-N 2 0 286.376 -1.005 20 0 CAADRP O=C1CNC(=O)N1CCC[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000629560186 373777272 /nfs/dbraw/zinc/77/72/72/373777272.db2.gz JIMLHDMGMSQDCR-LLVKDONJSA-N 2 0 284.360 -1.025 20 0 CAADRP C[C@@H]1CC[N@H+](CCNC(=O)CN2CCNCC2=O)C1 ZINC000572486811 373765020 /nfs/dbraw/zinc/76/50/20/373765020.db2.gz KXQCTJQWOYQIJT-LLVKDONJSA-N 2 0 268.361 -1.124 20 0 CAADRP COCC[NH2+]CCNC(=O)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000627083901 373839098 /nfs/dbraw/zinc/83/90/98/373839098.db2.gz WZFHOKLZRHTAKI-LLVKDONJSA-N 2 0 274.365 -1.412 20 0 CAADRP C[NH2+]CCOCC[N@H+](C)CCCS(N)(=O)=O ZINC000641824650 373815084 /nfs/dbraw/zinc/81/50/84/373815084.db2.gz WIAHBWMNQUKFCM-UHFFFAOYSA-N 2 0 253.368 -1.167 20 0 CAADRP O=C(NCC[N@H+]1CC[C@H](O)C1)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000627094732 373839329 /nfs/dbraw/zinc/83/93/29/373839329.db2.gz KHRAOCAHWWIDCF-UKKRHICBSA-N 2 0 254.334 -1.430 20 0 CAADRP O=S(=O)(C[C@@H]1C[NH2+]CCO1)NCC[NH2+]C1CC1 ZINC000631903350 373820502 /nfs/dbraw/zinc/82/05/02/373820502.db2.gz GIGCKQRNIMLAJY-JTQLQIEISA-N 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[NH3+][C@H](CNS(=O)(=O)C[C@@H]1C[NH2+]CCO1)C1CC1 ZINC000631932149 373823689 /nfs/dbraw/zinc/82/36/89/373823689.db2.gz QHPVHLOOUJXADA-VHSXEESVSA-N 2 0 263.363 -1.369 20 0 CAADRP C[C@@H]1C[NH2+]CC[C@@H]1NS(=O)(=O)C[C@@H]1C[NH2+]CCO1 ZINC000631935559 373824740 /nfs/dbraw/zinc/82/47/40/373824740.db2.gz WUXORWWBITXSFF-VWYCJHECSA-N 2 0 277.390 -1.108 20 0 CAADRP C[C@@H]1CC[NH2+]C[C@@H]1NS(=O)(=O)C[C@H]1C[NH2+]CCO1 ZINC000631934775 373825309 /nfs/dbraw/zinc/82/53/09/373825309.db2.gz KIMSQLXQAWIGSI-MXWKQRLJSA-N 2 0 277.390 -1.108 20 0 CAADRP C[NH2+]C[C@@H]1C[C@H](F)CN1S(=O)(=O)C[C@H]1C[NH2+]CCO1 ZINC000631936700 373825364 /nfs/dbraw/zinc/82/53/64/373825364.db2.gz JLCASQIQZJBHLU-GARJFASQSA-N 2 0 295.380 -1.064 20 0 CAADRP C[C@@H]1[C@H](C)[NH2+]CCN1S(=O)(=O)C[C@H]1C[NH2+]CCO1 ZINC000631936131 373825859 /nfs/dbraw/zinc/82/58/59/373825859.db2.gz UVACAQYPVAVIEW-HBNTYKKESA-N 2 0 277.390 -1.013 20 0 CAADRP C[C@@H]1CC[NH2+]C[C@@H]1NS(=O)(=O)C[C@@H]1C[NH2+]CCO1 ZINC000631934777 373826500 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O=C(NCC[N@@H+]1CCCOCC1)NC[C@@H]1COCC[NH2+]1 ZINC000627044210 373834528 /nfs/dbraw/zinc/83/45/28/373834528.db2.gz CKPBAHGSHQLNRX-GFCCVEGCSA-N 2 0 286.376 -1.004 20 0 CAADRP O=C(NCC(=O)N1CC[NH2+]CC1)NC[C@H]1COCC[NH2+]1 ZINC000627064644 373836134 /nfs/dbraw/zinc/83/61/34/373836134.db2.gz VHFOFUBCBOWPSB-JTQLQIEISA-N 2 0 285.348 -2.294 20 0 CAADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)NCCN1CC[NH2+]CC1 ZINC000627066217 373836377 /nfs/dbraw/zinc/83/63/77/373836377.db2.gz JYGLBMWQSZAAQL-WDEREUQCSA-N 2 0 255.366 -1.059 20 0 CAADRP C[C@H]1CC[C@H](NC(=O)NCC(=O)N2CC[NH2+]CC2)C[NH2+]1 ZINC000627064051 373836440 /nfs/dbraw/zinc/83/64/40/373836440.db2.gz PPBXXWHDTMVGKM-QWRGUYRKSA-N 2 0 283.376 -1.142 20 0 CAADRP O=C(CNC(=O)N[C@@H]1CC[NH2+]C1)N1CC[NH2+]CC1 ZINC000627064949 373836609 /nfs/dbraw/zinc/83/66/09/373836609.db2.gz ZMMPLNQCCLMYGZ-SECBINFHSA-N 2 0 255.322 -1.921 20 0 CAADRP C[NH2+]CCOCCNC(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000627062655 373836773 /nfs/dbraw/zinc/83/67/73/373836773.db2.gz BOGZWAOZWDYGMO-UHFFFAOYSA-N 2 0 287.364 -2.047 20 0 CAADRP C[N@H+](CCOCC[NH3+])CCC(=O)N1CC[NH2+]CC1 ZINC000629577437 373778647 /nfs/dbraw/zinc/77/86/47/373778647.db2.gz HZQPRJDRSINDMU-UHFFFAOYSA-N 3 0 258.366 -1.285 20 0 CAADRP C[NH2+]CCNC(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000627071742 373837279 /nfs/dbraw/zinc/83/72/79/373837279.db2.gz JDQQZUMRMRFMMC-UHFFFAOYSA-N 2 0 298.391 -1.442 20 0 CAADRP CCN1CCN(C(=O)C(=O)N(C)CCOCC[NH3+])CC1 ZINC000629784738 373783333 /nfs/dbraw/zinc/78/33/33/373783333.db2.gz SAJPTJSGHDBBSD-UHFFFAOYSA-N 2 0 286.376 -1.416 20 0 CAADRP O=C(NCCN1CC[NH2+]CC1)NC[C@@H]1COCC[NH2+]1 ZINC000627065321 373837349 /nfs/dbraw/zinc/83/73/49/373837349.db2.gz DSRBDTIDRLDQPL-LLVKDONJSA-N 2 0 271.365 -1.821 20 0 CAADRP C[NH2+]CCOCCNC(=O)NCCCN1CC[NH2+]CC1 ZINC000627064980 373837529 /nfs/dbraw/zinc/83/75/29/373837529.db2.gz ZTLPEJOOIQLRPK-UHFFFAOYSA-N 2 0 287.408 -1.183 20 0 CAADRP O=C(NCC(=O)N1CC[NH2+]CC1)NC[C@@H]1COCC[NH2+]1 ZINC000627064645 373837568 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O=C(NCC[N@H+]1CC[C@@H](O)C1)NC[C@H]1C[NH2+]CCCO1 ZINC000627103409 373841114 /nfs/dbraw/zinc/84/11/14/373841114.db2.gz RFMDPSXZTMYHTQ-VXGBXAGGSA-N 2 0 286.376 -1.269 20 0 CAADRP C[NH2+]CCOCCNC(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000627102374 373841589 /nfs/dbraw/zinc/84/15/89/373841589.db2.gz LASBPEKNZKWLPJ-NSHDSACASA-N 2 0 274.365 -1.100 20 0 CAADRP O=C(NCC[N@H+]1CC[C@H](O)C1)NC[C@@H]1C[NH2+]CCCO1 ZINC000627103408 373841758 /nfs/dbraw/zinc/84/17/58/373841758.db2.gz RFMDPSXZTMYHTQ-RYUDHWBXSA-N 2 0 286.376 -1.269 20 0 CAADRP CN1CCN(C(=O)NCC2([NH3+])CCOCC2)[C@@H](C[NH3+])C1 ZINC000627148401 373842883 /nfs/dbraw/zinc/84/28/83/373842883.db2.gz WLDDOZCPONUJDB-NSHDSACASA-N 2 0 285.392 -1.221 20 0 CAADRP C[NH2+]CCOCCNC(=O)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000627169154 373843261 /nfs/dbraw/zinc/84/32/61/373843261.db2.gz FECSGTYEQGMDCM-LLVKDONJSA-N 2 0 274.365 -1.412 20 0 CAADRP C[NH2+]CCOCCNC(=O)NC[C@@H]1COCC[NH2+]1 ZINC000627169915 373843360 /nfs/dbraw/zinc/84/33/60/373843360.db2.gz WXTAGZJDPNWKCH-SNVBAGLBSA-N 2 0 260.338 -1.490 20 0 CAADRP C[NH+](C)C[C@@](C)(O)CNC(=O)NC[C@H]1COCC[NH2+]1 ZINC000627187490 373845285 /nfs/dbraw/zinc/84/52/85/373845285.db2.gz DCEXZOBLYZYAMX-JQWIXIFHSA-N 2 0 274.365 -1.413 20 0 CAADRP C[NH2+]CCOCCNC(=O)NC[C@](C)(O)C[NH+](C)C ZINC000627175504 373845400 /nfs/dbraw/zinc/84/54/00/373845400.db2.gz WMJOYLWYNSGHIJ-LBPRGKRZSA-N 2 0 276.381 -1.166 20 0 CAADRP C[NH2+]CCOCCNC(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000627175501 373845943 /nfs/dbraw/zinc/84/59/43/373845943.db2.gz WMJOYLWYNSGHIJ-GFCCVEGCSA-N 2 0 276.381 -1.166 20 0 CAADRP CCO[C@@H]1CN(C(=O)NC[C@@H]2COCC[NH2+]2)C[C@H]1C[NH3+] ZINC000627190234 373847185 /nfs/dbraw/zinc/84/71/85/373847185.db2.gz ALAXTSLBTSZSBU-IJLUTSLNSA-N 2 0 286.376 -1.020 20 0 CAADRP [NH3+]CCCOCCNC(=O)NC[C@@H]1COCC[NH2+]1 ZINC000627191619 373847351 /nfs/dbraw/zinc/84/73/51/373847351.db2.gz DWYGIJUTXLNPBF-SNVBAGLBSA-N 2 0 260.338 -1.361 20 0 CAADRP C[N@@H+]1CC[C@@](O)(CNC(=O)NC[C@@H]2COCC[NH2+]2)C1 ZINC000627190097 373847425 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[NH3+][C@H]1C[C@H]2CN(C(=O)[C@@H]3CCCC[NH2+]3)CCN2C1=O ZINC000579496263 374000694 /nfs/dbraw/zinc/00/06/94/374000694.db2.gz BFMFYJPCOKPPMY-DCAQKATOSA-N 2 0 266.345 -1.101 20 0 CAADRP CCO[C@@H]1C[N@H+](CCC(=O)NC(N)=O)C[C@H]1C[NH3+] ZINC000405890743 374002835 /nfs/dbraw/zinc/00/28/35/374002835.db2.gz WXMDDSZNNIXTAM-RKDXNWHRSA-N 2 0 258.322 -1.133 20 0 CAADRP C[C@@H](CNC(=O)C(=O)NC1C[NH2+]C1)[N@H+](C)C1CC1 ZINC000579573039 374003440 /nfs/dbraw/zinc/00/34/40/374003440.db2.gz GBVAFXGHJLPYOR-QMMMGPOBSA-N 2 0 254.334 -1.327 20 0 CAADRP CO[C@H](C[NH3+])C(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000579590478 374003467 /nfs/dbraw/zinc/00/34/67/374003467.db2.gz KJVVXFISFMVJQU-NWDGAFQWSA-N 2 0 298.387 -1.370 20 0 CAADRP CO[C@H](C[NH3+])C(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000579590480 374003881 /nfs/dbraw/zinc/00/38/81/374003881.db2.gz KJVVXFISFMVJQU-VXGBXAGGSA-N 2 0 298.387 -1.370 20 0 CAADRP COCCC[N@H+](C)CCNC(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000580844327 374007329 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CC[NH+]1CCN(CC(=O)NC[C@@H]2C[NH2+]CCO2)CC1 ZINC000572845558 373977406 /nfs/dbraw/zinc/97/74/06/373977406.db2.gz YEZDQHRJDLAGQM-LBPRGKRZSA-N 2 0 270.377 -1.272 20 0 CAADRP Cn1nnc(CNC(=O)N(CC[NH+](C)C)CC[NH+](C)C)n1 ZINC000573183698 373979294 /nfs/dbraw/zinc/97/92/94/373979294.db2.gz JJFSDYGETVOJNL-UHFFFAOYSA-N 2 0 298.395 -1.155 20 0 CAADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@H]2CC[NH2+]C2)C1 ZINC000573140918 373979433 /nfs/dbraw/zinc/97/94/33/373979433.db2.gz KNRCFFJMYFJAEO-QWRGUYRKSA-N 2 0 284.360 -1.699 20 0 CAADRP C[NH2+][C@@H](C)C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000573338111 373979750 /nfs/dbraw/zinc/97/97/50/373979750.db2.gz DCQNBRJGQGCQFJ-UWVGGRQHSA-N 2 0 256.350 -1.092 20 0 CAADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N[C@H]2CC[NH2+]C2)C1 ZINC000573140919 373980463 /nfs/dbraw/zinc/98/04/63/373980463.db2.gz KNRCFFJMYFJAEO-WDEREUQCSA-N 2 0 284.360 -1.699 20 0 CAADRP COCC[N@H+](C)C[C@H](O)CN1C[C@H](O)[C@@H]([NH+](C)C)C1 ZINC000573741009 373984296 /nfs/dbraw/zinc/98/42/96/373984296.db2.gz LGJAMQIGHJOJSC-AVGNSLFASA-N 2 0 275.393 -1.468 20 0 CAADRP C[C@H]1[NH2+]CC[C@@H]1C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000578011544 373988206 /nfs/dbraw/zinc/98/82/06/373988206.db2.gz WNHAGMMIWFIWDR-ZJUUUORDSA-N 2 0 254.334 -1.468 20 0 CAADRP COC(=O)CCNC(=O)CN1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000578070794 373990803 /nfs/dbraw/zinc/99/08/03/373990803.db2.gz JUKJLBLZAQIQNX-AOOOYVTPSA-N 2 0 255.318 -1.183 20 0 CAADRP CCN1CCO[C@H](C(=O)NC[C@H]2C[NH2+]CCO2)C1 ZINC000578236295 373991143 /nfs/dbraw/zinc/99/11/43/373991143.db2.gz IHSLJSIFFJUFQD-MNOVXSKESA-N 2 0 257.334 -1.188 20 0 CAADRP C[N@H+](CCNC(=O)C(=O)NC[C@H]1COCC[NH2+]1)C1CC1 ZINC000627319544 374072055 /nfs/dbraw/zinc/07/20/55/374072055.db2.gz XGOJBGLBNVIXBI-JTQLQIEISA-N 2 0 284.360 -1.699 20 0 CAADRP O=C(N[C@@H]1CC[NH2+]C1)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000627325559 374074013 /nfs/dbraw/zinc/07/40/13/374074013.db2.gz NSZMADHTHKSGHJ-NXEZZACHSA-N 2 0 266.345 -1.183 20 0 CAADRP C[NH2+]CCOCCNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000627325264 374074260 /nfs/dbraw/zinc/07/42/60/374074260.db2.gz DBYXBLRAMAGHKS-NSHDSACASA-N 2 0 298.387 -1.309 20 0 CAADRP C[C@H](CC[NH+](C)C)NC(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000627325366 374074762 /nfs/dbraw/zinc/07/47/62/374074762.db2.gz HKSAYTQQDRCOIO-NXEZZACHSA-N 2 0 256.350 -1.079 20 0 CAADRP O=C(N[C@@H]1CC[NH2+]C1)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000627325560 374075023 /nfs/dbraw/zinc/07/50/23/374075023.db2.gz NSZMADHTHKSGHJ-ZJUUUORDSA-N 2 0 266.345 -1.183 20 0 CAADRP C[C@@H](CC[NH+](C)C)NC(=O)C(=O)NC[C@H]1COCC[NH2+]1 ZINC000627325496 374075352 /nfs/dbraw/zinc/07/53/52/374075352.db2.gz LVAHJZPZTRYHAX-QWRGUYRKSA-N 2 0 286.376 -1.453 20 0 CAADRP C[C@H](CC[NH+](C)C)NC(=O)C(=O)N(C)CCOCC[NH3+] ZINC000627325386 374075365 /nfs/dbraw/zinc/07/53/65/374075365.db2.gz HXLNMJCNMNIAGE-LLVKDONJSA-N 2 0 288.392 -1.124 20 0 CAADRP O=C(NC[C@@H]1COCC[NH2+]1)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000627325761 374076726 /nfs/dbraw/zinc/07/67/26/374076726.db2.gz TUUHIHPNHDNFBG-WDEREUQCSA-N 2 0 296.371 -1.556 20 0 CAADRP O=C(NC[C@H]1COCC[NH2+]1)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000627325760 374076969 /nfs/dbraw/zinc/07/69/69/374076969.db2.gz TUUHIHPNHDNFBG-QWRGUYRKSA-N 2 0 296.371 -1.556 20 0 CAADRP C[C@H]1C(=O)N(CC[NH+](C)C)CN1c1nc(N)[nH+]c(N)n1 ZINC000624331276 374111056 /nfs/dbraw/zinc/11/10/56/374111056.db2.gz UUIQNCBJESSWIB-ZETCQYMHSA-N 2 0 280.336 -1.747 20 0 CAADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000627367612 374115800 /nfs/dbraw/zinc/11/58/00/374115800.db2.gz ZHGVBKQMCGVVAY-NEPJUHHUSA-N 2 0 298.387 -1.309 20 0 CAADRP C[C@H](CNC(=O)C(=O)NC[C@H]1COCC[NH2+]1)[N@H+](C)C1CC1 ZINC000627372748 374116146 /nfs/dbraw/zinc/11/61/46/374116146.db2.gz WDFQOBNSROXWBP-MNOVXSKESA-N 2 0 298.387 -1.310 20 0 CAADRP CCN(CC[NH3+])C(=O)C(=O)N[C@@H]1CC[N@H+](CCOC)C1 ZINC000627386118 374118379 /nfs/dbraw/zinc/11/83/79/374118379.db2.gz GNUXWYMUXDGHJG-LLVKDONJSA-N 2 0 286.376 -1.370 20 0 CAADRP CC[NH+](CC)CCNC(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000627389435 374118793 /nfs/dbraw/zinc/11/87/93/374118793.db2.gz DTXUBXIICLURIB-SNVBAGLBSA-N 2 0 256.350 -1.078 20 0 CAADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000627503445 374134505 /nfs/dbraw/zinc/13/45/05/374134505.db2.gz MTIIAANALMKGID-NNYUYHANSA-N 2 0 296.371 -1.870 20 0 CAADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)NC[C@@H]2COCC[NH2+]2)C1 ZINC000627429056 374122924 /nfs/dbraw/zinc/12/29/24/374122924.db2.gz WPJLMATUZPPYJX-NWDGAFQWSA-N 2 0 298.387 -1.309 20 0 CAADRP C[N@@H+]1CCC[C@@H](NC(=O)C(=O)NCC2([NH3+])CCOCC2)C1 ZINC000627452083 374124644 /nfs/dbraw/zinc/12/46/44/374124644.db2.gz AFUWSECOIITSCH-LLVKDONJSA-N 2 0 298.387 -1.179 20 0 CAADRP C[NH2+]CCOCCNC(=O)C(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000627461125 374124797 /nfs/dbraw/zinc/12/47/97/374124797.db2.gz FLINDWXRRWSZJK-NSHDSACASA-N 2 0 286.376 -1.451 20 0 CAADRP C[NH2+]CCOCCNC(=O)C(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000627461124 374124820 /nfs/dbraw/zinc/12/48/20/374124820.db2.gz FLINDWXRRWSZJK-LLVKDONJSA-N 2 0 286.376 -1.451 20 0 CAADRP C[NH2+]CCOCCNC(=O)C(=O)N(C)CC[NH+](C)C ZINC000627463327 374126257 /nfs/dbraw/zinc/12/62/57/374126257.db2.gz UKCYVQAEXVGNMV-UHFFFAOYSA-N 2 0 274.365 -1.641 20 0 CAADRP CN(C[C@H]1CCC[N@@H+]1C)C(=O)C(=O)NC[C@H]1COCC[NH2+]1 ZINC000627475868 374130147 /nfs/dbraw/zinc/13/01/47/374130147.db2.gz WEWOCFCIFRHICD-NWDGAFQWSA-N 2 0 298.387 -1.356 20 0 CAADRP CN(CC[N@H+](C)C1CC1)C(=O)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000627475597 374130268 /nfs/dbraw/zinc/13/02/68/374130268.db2.gz QBXUTEVOEBMESD-LLVKDONJSA-N 2 0 298.387 -1.356 20 0 CAADRP COCC[N@H+](C)CCNC(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000627352922 374084777 /nfs/dbraw/zinc/08/47/77/374084777.db2.gz MRXDJSBQEFUUHN-SNVBAGLBSA-N 2 0 272.349 -1.841 20 0 CAADRP COCC[N@H+](C)CCNC(=O)C(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000627353157 374085740 /nfs/dbraw/zinc/08/57/40/374085740.db2.gz TTXXNGAVOGBILM-WDEREUQCSA-N 2 0 286.376 -1.453 20 0 CAADRP CC[NH+]1CCN(CCNc2nc(N)[nH+]c(N)n2)CC1 ZINC000623848192 374091269 /nfs/dbraw/zinc/09/12/69/374091269.db2.gz JJKHDLXDAGQNAO-UHFFFAOYSA-N 2 0 266.353 -1.832 20 0 CAADRP C[C@@H](CNc1nc(N)[nH+]c(N)n1)N1CC[NH+](C)CC1 ZINC000623932076 374093933 /nfs/dbraw/zinc/09/39/33/374093933.db2.gz YFADBYMPJJEKDB-QMMMGPOBSA-N 2 0 266.353 -1.834 20 0 CAADRP COCC[NH+]1CCC(Nc2nc(N)[nH+]c(N)n2)CC1 ZINC000623893325 374094665 /nfs/dbraw/zinc/09/46/65/374094665.db2.gz MEFLLMIIVBDRAD-UHFFFAOYSA-N 2 0 267.337 -1.359 20 0 CAADRP C[C@H](CNc1nc(N)[nH+]c(N)n1)N1CC[NH+](C)CC1 ZINC000623932075 374095089 /nfs/dbraw/zinc/09/50/89/374095089.db2.gz YFADBYMPJJEKDB-MRVPVSSYSA-N 2 0 266.353 -1.834 20 0 CAADRP C[N@@H+]1CCC[C@@H](N2CCN(c3nc(N)[nH+]c(N)n3)CC2)C1 ZINC000623974953 374097335 /nfs/dbraw/zinc/09/73/35/374097335.db2.gz VASXLQFGAALJSD-SNVBAGLBSA-N 2 0 292.391 -1.087 20 0 CAADRP COCC[N@@H+]1CCC[C@H](Nc2nc(N)[nH+]c(N)n2)C1 ZINC000623951272 374097841 /nfs/dbraw/zinc/09/78/41/374097841.db2.gz GTMVGADXLJQTMB-QMMMGPOBSA-N 2 0 267.337 -1.359 20 0 CAADRP COC1CC[NH+](CCNc2nc(N)[nH+]c(N)n2)CC1 ZINC000624025301 374101206 /nfs/dbraw/zinc/10/12/06/374101206.db2.gz VSZDKJNECPJTSF-UHFFFAOYSA-N 2 0 267.337 -1.359 20 0 CAADRP C[NH+](C)C1CCN(CCNc2nc(N)[nH+]c(N)n2)CC1 ZINC000624022248 374102127 /nfs/dbraw/zinc/10/21/27/374102127.db2.gz HZOCEUJFIJFGSZ-UHFFFAOYSA-N 2 0 280.380 -1.443 20 0 CAADRP Nc1nc(NC[C@H]2CCCC[N@@H+]2CCO)nc(N)[nH+]1 ZINC000624248874 374108712 /nfs/dbraw/zinc/10/87/12/374108712.db2.gz HNSLAVFOKIPZGT-MRVPVSSYSA-N 2 0 267.337 -1.623 20 0 CAADRP C[N@@H+]1CCN(CCNc2nc(N)[nH+]c(N)n2)CC1(C)C ZINC000624184896 374108952 /nfs/dbraw/zinc/10/89/52/374108952.db2.gz ZVXMMURFCVXBPK-UHFFFAOYSA-N 2 0 280.380 -1.443 20 0 CAADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N(C)CC[NH+](C)C ZINC000627501679 374135351 /nfs/dbraw/zinc/13/53/51/374135351.db2.gz UELIUSBMGUKVTR-VHSXEESVSA-N 2 0 256.350 -1.127 20 0 CAADRP CN(CC[NH+](C)C)C(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000633078383 374182581 /nfs/dbraw/zinc/18/25/81/374182581.db2.gz KOSBIQNTGJUQNB-UWVGGRQHSA-N 2 0 254.334 -1.421 20 0 CAADRP CN(CCC[NH+](C)C)C(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000633078557 374182651 /nfs/dbraw/zinc/18/26/51/374182651.db2.gz MAWRKSNSGJMEOK-QWRGUYRKSA-N 2 0 268.361 -1.031 20 0 CAADRP C[NH2+][C@@H]1CCN(S(=O)(=O)C[C@H]2C[NH2+]CCO2)C1 ZINC000631901236 374150888 /nfs/dbraw/zinc/15/08/88/374150888.db2.gz VZCCRYDRIGHZIG-NXEZZACHSA-N 2 0 263.363 -1.402 20 0 CAADRP C[NH2+][C@@H]1CCN(S(=O)(=O)C[C@@H]2C[NH2+]CCO2)C1 ZINC000631901239 374150990 /nfs/dbraw/zinc/15/09/90/374150990.db2.gz VZCCRYDRIGHZIG-ZJUUUORDSA-N 2 0 263.363 -1.402 20 0 CAADRP O=S(=O)(C[C@H]1C[NH2+]CCO1)N1CCC[NH2+]CC1 ZINC000631901249 374151135 /nfs/dbraw/zinc/15/11/35/374151135.db2.gz WHENEBPINUFKBL-SNVBAGLBSA-N 2 0 263.363 -1.400 20 0 CAADRP O=S(=O)(C[C@@H]1C[NH2+]CCO1)N[C@H]1CCC[NH2+]C1 ZINC000631900503 374151242 /nfs/dbraw/zinc/15/12/42/374151242.db2.gz BXRUWZDHFVPCMO-UWVGGRQHSA-N 2 0 263.363 -1.354 20 0 CAADRP [NH3+]CC1CCN(S(=O)(=O)C[C@H]2C[NH2+]CCO2)CC1 ZINC000631901164 374151285 /nfs/dbraw/zinc/15/12/85/374151285.db2.gz STRBKDMAEGQRKF-LLVKDONJSA-N 2 0 277.390 -1.025 20 0 CAADRP C[NH2+][C@H]1CCN(S(=O)(=O)C[C@@H]2C[NH2+]CCO2)C1 ZINC000631901237 374151448 /nfs/dbraw/zinc/15/14/48/374151448.db2.gz VZCCRYDRIGHZIG-UWVGGRQHSA-N 2 0 263.363 -1.402 20 0 CAADRP O=S(=O)(C[C@H]1C[NH2+]CCO1)NC[C@@H]1CCC[NH2+]C1 ZINC000631902000 374151586 /nfs/dbraw/zinc/15/15/86/374151586.db2.gz ROMGDVRAQUGOFK-GHMZBOCLSA-N 2 0 277.390 -1.106 20 0 CAADRP O=S(=O)(C[C@@H]1C[NH2+]CCO1)NCC1CC[NH2+]CC1 ZINC000631901056 374151715 /nfs/dbraw/zinc/15/17/15/374151715.db2.gz PSKHAWZWWPNICB-NSHDSACASA-N 2 0 277.390 -1.106 20 0 CAADRP C[NH+](C)CCCS(=O)(=O)NCCN1CC[NH2+]CC1 ZINC000631901820 374151837 /nfs/dbraw/zinc/15/18/37/374151837.db2.gz PGJNNSYVLOTEKQ-UHFFFAOYSA-N 2 0 278.422 -1.237 20 0 CAADRP [NH3+][C@@H]1CCCN(S(=O)(=O)C[C@@H]2C[NH2+]CCO2)C1 ZINC000631900192 374152121 /nfs/dbraw/zinc/15/21/21/374152121.db2.gz KDKYAOJZJCZCON-ZJUUUORDSA-N 2 0 263.363 -1.272 20 0 CAADRP C[C@@H]1C[C@H](C[NH3+])CN1S(=O)(=O)C[C@H]1C[NH2+]CCO1 ZINC000631931112 374153068 /nfs/dbraw/zinc/15/30/68/374153068.db2.gz GGTGSYOZZWOGEL-GMTAPVOTSA-N 2 0 277.390 -1.026 20 0 CAADRP [NH3+]C1(CNS(=O)(=O)C[C@@H]2C[NH2+]CCO2)CCC1 ZINC000631929547 374153149 /nfs/dbraw/zinc/15/31/49/374153149.db2.gz JBFPAYDJPRMMEQ-VIFPVBQESA-N 2 0 263.363 -1.224 20 0 CAADRP C[C@@H](C[NH3+])CNS(=O)(=O)C[C@@H]1C[NH2+]CCO1 ZINC000631931054 374153167 /nfs/dbraw/zinc/15/31/67/374153167.db2.gz FFNJQHWAOIBABM-IUCAKERBSA-N 2 0 251.352 -1.511 20 0 CAADRP C[C@@H]1CN(S(=O)(=O)C[C@H]2C[NH2+]CCO2)[C@@H](C)C[NH2+]1 ZINC000631930070 374153312 /nfs/dbraw/zinc/15/33/12/374153312.db2.gz WHVWYHBOYNXWTC-OUAUKWLOSA-N 2 0 277.390 -1.013 20 0 CAADRP CN1CCN(S(=O)(=O)CCC[NH+](C)C)[C@@H](C[NH3+])C1 ZINC000631907627 374154092 /nfs/dbraw/zinc/15/40/92/374154092.db2.gz OUVLHDBLIUXYEK-NSHDSACASA-N 2 0 278.422 -1.157 20 0 CAADRP C[NH+](C)CCCS(=O)(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000631929282 374154335 /nfs/dbraw/zinc/15/43/35/374154335.db2.gz AXASYMNYIGGMPV-JTQLQIEISA-N 2 0 265.379 -1.073 20 0 CAADRP C[C@H]1[C@@H]([NH3+])CCN1S(=O)(=O)C[C@H]1C[NH2+]CCO1 ZINC000631944479 374155669 /nfs/dbraw/zinc/15/56/69/374155669.db2.gz YTTXRIDNOUMICT-AEJSXWLSSA-N 2 0 263.363 -1.274 20 0 CAADRP C[C@@H]1[NH2+]CCN(S(=O)(=O)C[C@@H]2C[NH2+]CCO2)[C@H]1C ZINC000631936129 374155753 /nfs/dbraw/zinc/15/57/53/374155753.db2.gz UVACAQYPVAVIEW-DCAQKATOSA-N 2 0 277.390 -1.013 20 0 CAADRP C[NH2+]CCCN(C)S(=O)(=O)C[C@H]1C[NH2+]CCO1 ZINC000631945068 374155914 /nfs/dbraw/zinc/15/59/14/374155914.db2.gz OKUKVTDGRYLRDN-SNVBAGLBSA-N 2 0 265.379 -1.154 20 0 CAADRP C[NH2+][C@@H]1CCCN(S(=O)(=O)C[C@@H]2C[NH2+]CCO2)C1 ZINC000631934074 374155962 /nfs/dbraw/zinc/15/59/62/374155962.db2.gz ONTWYQIWEKBAMP-MNOVXSKESA-N 2 0 277.390 -1.012 20 0 CAADRP C[C@]1(C[NH3+])CCN(S(=O)(=O)C[C@H]2C[NH2+]CCO2)C1 ZINC000631935119 374155996 /nfs/dbraw/zinc/15/59/96/374155996.db2.gz DMRIGEYSPFTPQY-GHMZBOCLSA-N 2 0 277.390 -1.025 20 0 CAADRP C[C@@H]1CN(S(=O)(=O)C[C@@H]2C[NH2+]CCO2)C[C@H]1[NH3+] ZINC000631931819 374156090 /nfs/dbraw/zinc/15/60/90/374156090.db2.gz IDGDZHZBDABQIA-KXUCPTDWSA-N 2 0 263.363 -1.416 20 0 CAADRP O=S(=O)(C[C@@H]1C[NH2+]CCO1)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000631932176 374156102 /nfs/dbraw/zinc/15/61/02/374156102.db2.gz QVZVDYSBMOYQGO-SDDRHHMPSA-N 2 0 289.401 -1.012 20 0 CAADRP C[C@@H]1CN(S(=O)(=O)C[C@H]2C[NH2+]CCO2)C[C@H]1[NH3+] ZINC000631931820 374156247 /nfs/dbraw/zinc/15/62/47/374156247.db2.gz IDGDZHZBDABQIA-OPRDCNLKSA-N 2 0 263.363 -1.416 20 0 CAADRP C[NH2+][C@H]1CCCN(S(=O)(=O)C[C@@H]2C[NH2+]CCO2)C1 ZINC000631934075 374156264 /nfs/dbraw/zinc/15/62/64/374156264.db2.gz ONTWYQIWEKBAMP-QWRGUYRKSA-N 2 0 277.390 -1.012 20 0 CAADRP C[NH+](C)CCCS(=O)(=O)NC[C@H]1C[NH2+]CCO1 ZINC000631944167 374156304 /nfs/dbraw/zinc/15/63/04/374156304.db2.gz PQTCZCCEIWQTKN-SNVBAGLBSA-N 2 0 265.379 -1.154 20 0 CAADRP CN(CC[NH3+])S(=O)(=O)CCCN1CC[NH+](C)CC1 ZINC000631945031 374156486 /nfs/dbraw/zinc/15/64/86/374156486.db2.gz NRUBFLGREHTOIV-UHFFFAOYSA-N 2 0 278.422 -1.156 20 0 CAADRP CN(C1CC[NH2+]CC1)S(=O)(=O)N[C@H]1C[C@@H]([NH3+])C1 ZINC000631932931 374156513 /nfs/dbraw/zinc/15/65/13/374156513.db2.gz WHQONUIKMQDEKB-DTORHVGOSA-N 2 0 262.379 -1.006 20 0 CAADRP O=S(=O)(C[C@@H]1C[NH2+]CCO1)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000631932175 374156525 /nfs/dbraw/zinc/15/65/25/374156525.db2.gz QVZVDYSBMOYQGO-GRYCIOLGSA-N 2 0 289.401 -1.012 20 0 CAADRP CN(CC(C)(C)[NH3+])S(=O)(=O)C[C@@H]1C[NH2+]CCO1 ZINC000631949931 374156564 /nfs/dbraw/zinc/15/65/64/374156564.db2.gz SXBVYZQGMKAKLX-VIFPVBQESA-N 2 0 265.379 -1.026 20 0 CAADRP CN([C@H](C[NH3+])C1CC1)S(=O)(=O)C[C@@H]1C[NH2+]CCO1 ZINC000631938385 374156582 /nfs/dbraw/zinc/15/65/82/374156582.db2.gz BYMSTMHVIVJZCN-WDEREUQCSA-N 2 0 277.390 -1.026 20 0 CAADRP O=S(=O)(C[C@@H]1C[NH2+]CCO1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000631933856 374156596 /nfs/dbraw/zinc/15/65/96/374156596.db2.gz KRWRYRGHWCZEEK-AXFHLTTASA-N 2 0 275.374 -1.544 20 0 CAADRP CN(C1CC[NH2+]CC1)S(=O)(=O)N[C@H]1C[C@H]([NH3+])C1 ZINC000631932578 374156891 /nfs/dbraw/zinc/15/68/91/374156891.db2.gz WHQONUIKMQDEKB-KYZUINATSA-N 2 0 262.379 -1.006 20 0 CAADRP CC[C@@H]([NH3+])CNS(=O)(=O)C[C@@H]1C[NH2+]CCO1 ZINC000631939777 374157017 /nfs/dbraw/zinc/15/70/17/374157017.db2.gz JCWGLNJJGHIAHW-BDAKNGLRSA-N 2 0 251.352 -1.369 20 0 CAADRP [NH3+][C@H](CNS(=O)(=O)C[C@H]1C[NH2+]CCO1)C1CC1 ZINC000631932145 374157031 /nfs/dbraw/zinc/15/70/31/374157031.db2.gz QHPVHLOOUJXADA-NXEZZACHSA-N 2 0 263.363 -1.369 20 0 CAADRP C[NH2+]C[C@@H](C)NS(=O)(=O)C[C@@H]1C[NH2+]CCO1 ZINC000631952591 374157962 /nfs/dbraw/zinc/15/79/62/374157962.db2.gz NBHBXXSVINKOGU-BDAKNGLRSA-N 2 0 251.352 -1.498 20 0 CAADRP C[C@@H]1C[C@@H]([NH3+])CN1S(=O)(=O)C[C@@H]1C[NH2+]CCO1 ZINC000631976037 374158523 /nfs/dbraw/zinc/15/85/23/374158523.db2.gz UCMYQVDTTBMTOT-BBBLOLIVSA-N 2 0 263.363 -1.274 20 0 CAADRP C[NH2+]CCOCCN(C)S(=O)(=O)C[C@@H]1C[NH2+]CCO1 ZINC000631954347 374158619 /nfs/dbraw/zinc/15/86/19/374158619.db2.gz JBGMOOGETMBHCN-NSHDSACASA-N 2 0 295.405 -1.528 20 0 CAADRP O=S(=O)(C[C@@H]1C[NH2+]CCO1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000631968888 374158824 /nfs/dbraw/zinc/15/88/24/374158824.db2.gz MSFBTCYMDBUMFK-GUBZILKMSA-N 2 0 261.347 -1.649 20 0 CAADRP O=S(=O)(C[C@@H]1C[NH2+]CCO1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000631971383 374158971 /nfs/dbraw/zinc/15/89/71/374158971.db2.gz QCCIAGSAFWGLQI-AXFHLTTASA-N 2 0 275.374 -1.259 20 0 CAADRP [NH3+][C@@H]1CN(S(=O)(=O)C[C@@H]2C[NH2+]CCO2)CC[C@H]1F ZINC000631952724 374159045 /nfs/dbraw/zinc/15/90/45/374159045.db2.gz RNLDZCYTJBYIDR-IVZWLZJFSA-N 2 0 281.353 -1.324 20 0 CAADRP C[NH+](C)CCCS(=O)(=O)NC[C@@]1(O)CC[N@H+](C)C1 ZINC000632213358 374166034 /nfs/dbraw/zinc/16/60/34/374166034.db2.gz HAVQHQMMMITZSQ-NSHDSACASA-N 2 0 279.406 -1.076 20 0 CAADRP C[NH+](C)CC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)C[NH+](C)C ZINC000634251970 374196878 /nfs/dbraw/zinc/19/68/78/374196878.db2.gz USVBOGCLPSSASO-QWRGUYRKSA-N 2 0 268.361 -1.079 20 0 CAADRP COC1(C(=O)N2CCN(C)C[C@@H]2C[NH3+])CC[NH2+]CC1 ZINC000634286789 374198167 /nfs/dbraw/zinc/19/81/67/374198167.db2.gz GJSNMXHPWSCHLY-NSHDSACASA-N 2 0 270.377 -1.144 20 0 CAADRP CC(C)[C@H]1CN(C(=O)CNC(=O)C[NH3+])CC[N@@H+]1C ZINC000634300797 374199212 /nfs/dbraw/zinc/19/92/12/374199212.db2.gz MAEDVRQRAQYQGB-SNVBAGLBSA-N 2 0 256.350 -1.140 20 0 CAADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCN([C@H]2COC[C@H]2O)CC1 ZINC000574735231 335043330 /nfs/dbraw/zinc/04/33/30/335043330.db2.gz UFTUVMLLKHGHTP-RWMBFGLXSA-N 2 0 283.372 -1.016 20 0 CAADRP O=C(COCC(=O)NCC[NH+]1CCC1)NCC[NH+]1CCC1 ZINC000342396011 252122598 /nfs/dbraw/zinc/12/25/98/252122598.db2.gz FRPDQZKTECUNFO-UHFFFAOYSA-N 2 0 298.387 -1.353 20 0 CAADRP CNC(=O)NC(=O)CC[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000063180452 252078042 /nfs/dbraw/zinc/07/80/42/252078042.db2.gz ZPDHIHVNHAKMBM-JTQLQIEISA-N 2 0 299.375 -1.381 20 0 CAADRP CNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000063180352 252078193 /nfs/dbraw/zinc/07/81/93/252078193.db2.gz MSEJZNJFMWANGF-ZJUUUORDSA-N 2 0 299.375 -1.383 20 0 CAADRP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](CC(=O)N2CCOCC2)C1 ZINC000063179798 252078659 /nfs/dbraw/zinc/07/86/59/252078659.db2.gz ZNVVQENFNKSEDL-LBPRGKRZSA-N 2 0 298.387 -1.368 20 0 CAADRP C[NH+](C)CCNC(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000357243135 252147514 /nfs/dbraw/zinc/14/75/14/252147514.db2.gz QMHQUVWWCKWWIO-SNVBAGLBSA-N 2 0 256.350 -1.078 20 0 CAADRP NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C[C@H]1COCC[NH2+]1 ZINC000357169122 252147761 /nfs/dbraw/zinc/14/77/61/252147761.db2.gz CHONZRDDFSLSEC-RYUDHWBXSA-N 2 0 298.387 -1.179 20 0 CAADRP COC[C@@]1(CNC(=O)[C@H]2C[NH2+]CCO2)CCC[NH2+]1 ZINC000357277407 252148662 /nfs/dbraw/zinc/14/86/62/252148662.db2.gz XBAOJOHYDFVOLS-PWSUYJOCSA-N 2 0 257.334 -1.140 20 0 CAADRP COCCC[N@H+](C)CCNC(=O)[C@H]1C[C@H](O)C[NH2+]1 ZINC000357934180 252153117 /nfs/dbraw/zinc/15/31/17/252153117.db2.gz ZYOJQCOTIPHPEU-WDEREUQCSA-N 2 0 259.350 -1.206 20 0 CAADRP COCCC[N@H+](C)CCNC(=O)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000357934178 252153636 /nfs/dbraw/zinc/15/36/36/252153636.db2.gz ZYOJQCOTIPHPEU-MNOVXSKESA-N 2 0 259.350 -1.206 20 0 CAADRP COCC[N@H+](C)CCCNC(=O)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000357928968 252154144 /nfs/dbraw/zinc/15/41/44/252154144.db2.gz MUBNJWZGSFTBMF-GHMZBOCLSA-N 2 0 259.350 -1.206 20 0 CAADRP COCCC[N@H+](C)CCNC(=O)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000357934179 252154185 /nfs/dbraw/zinc/15/41/85/252154185.db2.gz ZYOJQCOTIPHPEU-QWRGUYRKSA-N 2 0 259.350 -1.206 20 0 CAADRP C[NH+](C)CCN1C[C@@H](C(=O)N2CCO[C@@H](C[NH3+])C2)CC1=O ZINC000358512770 252154826 /nfs/dbraw/zinc/15/48/26/252154826.db2.gz IBCGIFNYBVOAEH-RYUDHWBXSA-N 2 0 298.387 -1.417 20 0 CAADRP C[NH+](C)CCN1C[C@H](C(=O)N2CCO[C@H](C[NH3+])C2)CC1=O ZINC000358512773 252155002 /nfs/dbraw/zinc/15/50/02/252155002.db2.gz IBCGIFNYBVOAEH-VXGBXAGGSA-N 2 0 298.387 -1.417 20 0 CAADRP C[NH+](C)CCN1C(=O)C[C@@H]([N@@H+]2CCC[C@H](C(N)=O)C2)C1=O ZINC000359204724 252158709 /nfs/dbraw/zinc/15/87/09/252158709.db2.gz JGXHQRUKQGBFPN-WDEREUQCSA-N 2 0 296.371 -1.127 20 0 CAADRP C[NH+](C)CCN1C(=O)C[C@H]([N@@H+]2CCC[C@H](C(N)=O)C2)C1=O ZINC000359204721 252159747 /nfs/dbraw/zinc/15/97/47/252159747.db2.gz JGXHQRUKQGBFPN-QWRGUYRKSA-N 2 0 296.371 -1.127 20 0 CAADRP CNC(=O)[C@@H]1CN(CCC(=O)N2CCN(C)CC2)CCO1 ZINC000364960641 252182002 /nfs/dbraw/zinc/18/20/02/252182002.db2.gz ZTGDOFCIMLPPLB-LBPRGKRZSA-N 2 0 298.387 -1.403 20 0 CAADRP CCN1CCN(C(=O)[C@@H](C)[N@@H+]2C[C@H](O)C[C@H]2CO)CC1 ZINC000372159655 252193703 /nfs/dbraw/zinc/19/37/03/252193703.db2.gz DFYMYVXXNCXMJT-FRRDWIJNSA-N 2 0 285.388 -1.034 20 0 CAADRP CN1CCN(C(=O)CC[N@@H+]2CCN3C(=O)NC[C@@H]3C2)CC1 ZINC000376238064 252203765 /nfs/dbraw/zinc/20/37/65/252203765.db2.gz BVUGPYWNHCKDGR-GFCCVEGCSA-N 2 0 295.387 -1.140 20 0 CAADRP CN1CCN(C(=O)CC[N@@H+]2CCN3C(=O)NC[C@H]3C2)CC1 ZINC000376238065 252204658 /nfs/dbraw/zinc/20/46/58/252204658.db2.gz BVUGPYWNHCKDGR-LBPRGKRZSA-N 2 0 295.387 -1.140 20 0 CAADRP O=C(NCCCN1CC[NH2+]CC1)N[C@H]1CC[NH2+]C1 ZINC000516091246 252254839 /nfs/dbraw/zinc/25/48/39/252254839.db2.gz GMIZWTAFKSHREP-NSHDSACASA-N 2 0 255.366 -1.057 20 0 CAADRP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N(CC[NH3+])CCO ZINC000418946385 252247659 /nfs/dbraw/zinc/24/76/59/252247659.db2.gz OPCZORIVHYHZRN-LLVKDONJSA-N 2 0 288.392 -1.388 20 0 CAADRP C[C@]1(C(=O)NCC(=O)N2CC[NH2+]CC2)CC[NH2+]C1 ZINC000515165676 252252061 /nfs/dbraw/zinc/25/20/61/252252061.db2.gz VVKCBQAVSPADHZ-LBPRGKRZSA-N 2 0 254.334 -1.466 20 0 CAADRP CCC[NH2+][C@@H](C)C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000515059219 252252273 /nfs/dbraw/zinc/25/22/73/252252273.db2.gz PEDMMFBWJWRHEK-JTQLQIEISA-N 2 0 256.350 -1.078 20 0 CAADRP [NH3+][C@H](C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1)C1CCC1 ZINC000515171625 252252542 /nfs/dbraw/zinc/25/25/42/252252542.db2.gz SOEDSSVLIRDXBE-MXWKQRLJSA-N 2 0 266.345 -1.116 20 0 CAADRP [NH3+][C@H](C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1)C1CCC1 ZINC000515171622 252252598 /nfs/dbraw/zinc/25/25/98/252252598.db2.gz SOEDSSVLIRDXBE-AXFHLTTASA-N 2 0 266.345 -1.116 20 0 CAADRP CO[C@@H]1C[NH2+][C@@H](C(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)C1 ZINC000515235083 252252803 /nfs/dbraw/zinc/25/28/03/252252803.db2.gz YIUHQATWWCAHGB-GRYCIOLGSA-N 2 0 298.387 -1.323 20 0 CAADRP CO[C@@H]1C[NH2+][C@@H](C(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)C1 ZINC000515235084 252252845 /nfs/dbraw/zinc/25/28/45/252252845.db2.gz YIUHQATWWCAHGB-SDDRHHMPSA-N 2 0 298.387 -1.323 20 0 CAADRP [NH3+][C@@H](C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1)C1CCC1 ZINC000515171624 252253161 /nfs/dbraw/zinc/25/31/61/252253161.db2.gz SOEDSSVLIRDXBE-HBNTYKKESA-N 2 0 266.345 -1.116 20 0 CAADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000262545016 285026969 /nfs/dbraw/zinc/02/69/69/285026969.db2.gz RUGFGXBCMJDHLA-UTUOFQBUSA-N 2 0 271.361 -1.064 20 0 CAADRP COCC[NH2+]CC(=O)NCCC[N@@H+]1CCC[C@@H]1C(N)=O ZINC000430902565 285075543 /nfs/dbraw/zinc/07/55/43/285075543.db2.gz BWORUOUOWGFORR-LLVKDONJSA-N 2 0 286.376 -1.322 20 0 CAADRP C[N@H+](CC(=O)N[C@@H]1C[NH+](CCO)C[C@H]1O)C1CCC1 ZINC001193828649 781976921 /nfs/dbraw/zinc/97/69/21/781976921.db2.gz SVRVKANJQTUIDJ-VXGBXAGGSA-N 2 0 271.361 -1.376 20 0 CAADRP C[NH+](C)[C@H](C(=O)N[C@@H]1C[N@H+](CCCO)C[C@H]1O)C1CC1 ZINC001193792090 781977970 /nfs/dbraw/zinc/97/79/70/781977970.db2.gz WWLGAUAXIRGTDC-UPJWGTAASA-N 2 0 285.388 -1.130 20 0 CAADRP NC(=O)NC(=O)C[NH2+]CCNC(=O)CCC[NH+]1CCCC1 ZINC001152224090 782009410 /nfs/dbraw/zinc/00/94/10/782009410.db2.gz RNGLKAWSEVYMPH-UHFFFAOYSA-N 2 0 299.375 -1.237 20 0 CAADRP O=C(CNC(=O)[C@H]1CCC[NH2+]1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000647083973 409330428 /nfs/dbraw/zinc/33/04/28/409330428.db2.gz FSCFEAHKIUFSTK-MXWKQRLJSA-N 2 0 266.345 -1.325 20 0 CAADRP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](C[C@@H]2CNCCO2)C1 ZINC000662242716 409319816 /nfs/dbraw/zinc/31/98/16/409319816.db2.gz GXRLORWDYOHVJO-RYUDHWBXSA-N 2 0 270.377 -1.238 20 0 CAADRP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](C[C@H]2CNCCO2)C1 ZINC000662242715 409319948 /nfs/dbraw/zinc/31/99/48/409319948.db2.gz GXRLORWDYOHVJO-NWDGAFQWSA-N 2 0 270.377 -1.238 20 0 CAADRP O=C([C@H]1[C@@H]2C[NH2+]C[C@@H]21)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000648136252 409321283 /nfs/dbraw/zinc/32/12/83/409321283.db2.gz MLUMKDCESBNWBU-WUHRBBMRSA-N 2 0 264.373 -1.042 20 0 CAADRP O=C([C@H]1[C@@H]2C[NH2+]C[C@@H]21)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000648138237 409321550 /nfs/dbraw/zinc/32/15/50/409321550.db2.gz ZJQOQHMJHCZQAP-WUHRBBMRSA-N 2 0 264.373 -1.042 20 0 CAADRP O=C([C@H]1[C@@H]2C[NH2+]C[C@@H]21)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000648138236 409321652 /nfs/dbraw/zinc/32/16/52/409321652.db2.gz ZJQOQHMJHCZQAP-NDBYEHHHSA-N 2 0 264.373 -1.042 20 0 CAADRP [NH3+][C@@H]1CCCCN(CC(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)C1=O ZINC000648140341 409322578 /nfs/dbraw/zinc/32/25/78/409322578.db2.gz PGGBAEIQFHBLAV-KLBPJQLPSA-N 2 0 266.345 -1.340 20 0 CAADRP CN(CC(=O)N1CC[NH2+]CC1)C(=O)[C@H]1CCO[C@H]1C[NH3+] ZINC000662401040 409323190 /nfs/dbraw/zinc/32/31/90/409323190.db2.gz IEQOUCMJNZWVAS-QWRGUYRKSA-N 2 0 284.360 -1.760 20 0 CAADRP COCC[N@H+](C)CCCNC(=O)c1cn(CC[NH3+])nn1 ZINC000662384713 409323337 /nfs/dbraw/zinc/32/33/37/409323337.db2.gz USTXHUKYKKCPBB-UHFFFAOYSA-N 2 0 284.364 -1.065 20 0 CAADRP CN(CC(=O)N1CC[NH2+]CC1)C(=O)[C@@H]1CCO[C@H]1C[NH3+] ZINC000662401039 409323386 /nfs/dbraw/zinc/32/33/86/409323386.db2.gz IEQOUCMJNZWVAS-MNOVXSKESA-N 2 0 284.360 -1.760 20 0 CAADRP CC1(OCC(=O)NC[C@@H]2C[NH2+]CCCO2)C[NH2+]C1 ZINC000648148192 409323589 /nfs/dbraw/zinc/32/35/89/409323589.db2.gz QFSSIEGNODJCQY-JTQLQIEISA-N 2 0 257.334 -1.140 20 0 CAADRP CC1(OCC(=O)NC[C@H]2C[NH2+]CCCO2)C[NH2+]C1 ZINC000648148193 409323979 /nfs/dbraw/zinc/32/39/79/409323979.db2.gz QFSSIEGNODJCQY-SNVBAGLBSA-N 2 0 257.334 -1.140 20 0 CAADRP [NH3+]CCN(C[C@H](O)CO)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662285887 409324254 /nfs/dbraw/zinc/32/42/54/409324254.db2.gz LCGZEJVSCLJDTD-QWRGUYRKSA-N 2 0 259.350 -1.879 20 0 CAADRP O=C(Nc1ccc(N2CC[NH2+]CC2)cn1)C1(O)C[NH2+]C1 ZINC000662407847 409324807 /nfs/dbraw/zinc/32/48/07/409324807.db2.gz JWHVCDRZCCGTJC-UHFFFAOYSA-N 2 0 277.328 -1.236 20 0 CAADRP COCC[NH2+]CCNC(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000646905130 409326725 /nfs/dbraw/zinc/32/67/25/409326725.db2.gz GYQQEKZDPQOYRE-LLVKDONJSA-N 2 0 286.376 -1.403 20 0 CAADRP COCC[NH2+]CCNC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000646905131 409327320 /nfs/dbraw/zinc/32/73/20/409327320.db2.gz GYQQEKZDPQOYRE-NSHDSACASA-N 2 0 286.376 -1.403 20 0 CAADRP [NH3+]CCOCC(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000647030833 409327979 /nfs/dbraw/zinc/32/79/79/409327979.db2.gz RTRKHRPXTMZXOT-VIFPVBQESA-N 2 0 298.309 -1.086 20 0 CAADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@H]1CCC[NH2+]C1 ZINC000647640633 409357124 /nfs/dbraw/zinc/35/71/24/409357124.db2.gz VNNYUCQRBTVLTB-ONGXEEELSA-N 2 0 256.350 -1.046 20 0 CAADRP CN1CCN(C(=O)C[N@@H+]2C[C@H]3[C@H](CO)[C@H]3C2)CC1 ZINC000644715222 409370176 /nfs/dbraw/zinc/37/01/76/409370176.db2.gz ZEANUFGNXCVMDF-GDNZZTSVSA-N 2 0 253.346 -1.070 20 0 CAADRP CN(CC(=O)N1CC[NH2+]CC1)C(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000647689059 409381210 /nfs/dbraw/zinc/38/12/10/409381210.db2.gz PAPSEMVGKNYERM-MXWKQRLJSA-N 2 0 266.345 -1.373 20 0 CAADRP [NH3+]C1(C(=O)NCC(=O)N2CC[NH2+]CC2)CCCC1 ZINC000647689125 409383345 /nfs/dbraw/zinc/38/33/45/409383345.db2.gz SXPUMAZPORIREJ-UHFFFAOYSA-N 2 0 254.334 -1.194 20 0 CAADRP COC[C@@]1(C(=O)NCC(=O)N2CC[NH2+]CC2)CCC[NH2+]1 ZINC000647689900 409383915 /nfs/dbraw/zinc/38/39/15/409383915.db2.gz ODJIEZPRHLYMJG-CYBMUJFWSA-N 2 0 284.360 -1.697 20 0 CAADRP CN(CC(=O)N1CC[NH2+]CC1)C(=O)COC1(C)C[NH2+]C1 ZINC000647689142 409384395 /nfs/dbraw/zinc/38/43/95/409384395.db2.gz VOMAKFHWUAOHDW-UHFFFAOYSA-N 2 0 284.360 -1.745 20 0 CAADRP C[NH2+]C[C@@](C)(O)C[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000652335479 409394135 /nfs/dbraw/zinc/39/41/35/409394135.db2.gz LKUWUOMDGLKKJP-DGCLKSJQSA-N 3 0 272.393 -1.256 20 0 CAADRP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000647057937 409330712 /nfs/dbraw/zinc/33/07/12/409330712.db2.gz CIZYSZYJYCDBGL-GUBZILKMSA-N 2 0 272.324 -1.329 20 0 CAADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653124609 409331938 /nfs/dbraw/zinc/33/19/38/409331938.db2.gz BSEKPLIJODVCFR-IPYPFGDCSA-N 2 0 296.415 -1.026 20 0 CAADRP COCC[N@H+](C)CCNC(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653114885 409332091 /nfs/dbraw/zinc/33/20/91/409332091.db2.gz ZTTMZEMHFXZXCE-AAEUAGOBSA-N 2 0 271.361 -1.083 20 0 CAADRP [NH3+]C[C@@H]1CN(C(=O)[C@]23C[NH2+]C[C@H]2COC3)CCO1 ZINC000653130508 409332454 /nfs/dbraw/zinc/33/24/54/409332454.db2.gz PRXYBAJGFYOAPS-UMNHJUIQSA-N 2 0 255.318 -1.592 20 0 CAADRP O=C([C@H]1C[NH+]2CCN1CCC2)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000655297373 409332521 /nfs/dbraw/zinc/33/25/21/409332521.db2.gz XSMSPNRHQTXNPA-BFHYXJOUSA-N 2 0 294.399 -1.346 20 0 CAADRP CN(C)CC[NH+]1CCC(CNC(=O)C2(O)C[NH2+]C2)CC1 ZINC000662692947 409332658 /nfs/dbraw/zinc/33/26/58/409332658.db2.gz HIYVTSXPFAZCRQ-UHFFFAOYSA-N 2 0 284.404 -1.290 20 0 CAADRP C[C@@H](CNC(=O)[C@]12C[NH2+]C[C@H]1COC2)N1CC[NH+](C)CC1 ZINC000653124889 409332902 /nfs/dbraw/zinc/33/29/02/409332902.db2.gz KQTMUEGXVQRKQI-YDHLFZDLSA-N 2 0 296.415 -1.026 20 0 CAADRP O=C([C@@H]1C[NH+]2CCN1CCC2)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000655297374 409333346 /nfs/dbraw/zinc/33/33/46/409333346.db2.gz XSMSPNRHQTXNPA-MJBXVCDLSA-N 2 0 294.399 -1.346 20 0 CAADRP [NH3+]C[C@H]1CN(C(=O)[C@]23C[NH2+]C[C@H]2COC3)CCO1 ZINC000653130507 409333773 /nfs/dbraw/zinc/33/37/73/409333773.db2.gz PRXYBAJGFYOAPS-NHCYSSNCSA-N 2 0 255.318 -1.592 20 0 CAADRP CN(C)c1ncc(CNC(=O)C2(O)C[NH2+]C2)n1C ZINC000662729886 409335065 /nfs/dbraw/zinc/33/50/65/409335065.db2.gz PDVAQJJIISZCPZ-UHFFFAOYSA-N 2 0 253.306 -1.563 20 0 CAADRP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)C2(O)C[NH2+]C2)C1 ZINC000662706919 409335377 /nfs/dbraw/zinc/33/53/77/409335377.db2.gz YZFQNNOOKATYRF-SNVBAGLBSA-N 2 0 284.360 -1.976 20 0 CAADRP O=C(N1CCN([C@@H]2CC[NH2+]C2)CC1)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653140619 409335758 /nfs/dbraw/zinc/33/57/58/409335758.db2.gz IKNMAZKJYODHCU-GUTXKFCHSA-N 2 0 294.399 -1.272 20 0 CAADRP O=C(N1CCN([C@@H]2CC[NH2+]C2)CC1)C1(O)C[NH2+]C1 ZINC000662781494 409335858 /nfs/dbraw/zinc/33/58/58/409335858.db2.gz XCDSKVPWUJAXQP-SNVBAGLBSA-N 2 0 254.334 -2.173 20 0 CAADRP [NH3+][C@@H]1CN(C(=O)CNC(=O)[C@H]2CCC[NH2+]2)CC[C@H]1F ZINC000662750256 409335904 /nfs/dbraw/zinc/33/59/04/409335904.db2.gz SYEBXNKDBLUIPB-OPRDCNLKSA-N 2 0 272.324 -1.248 20 0 CAADRP O=C(NC[C@H]1C[NH2+]CCCO1)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653147214 409336149 /nfs/dbraw/zinc/33/61/49/409336149.db2.gz ULXFJALRAMVIOT-LOWVWBTDSA-N 2 0 269.345 -1.283 20 0 CAADRP O=C(NC[C@@H]1C[N@@H+]2CCN1CCC2)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000662908418 409337916 /nfs/dbraw/zinc/33/79/16/409337916.db2.gz UHXFZVLVWYQUMH-NDBYEHHHSA-N 2 0 264.373 -1.042 20 0 CAADRP COCC[N@H+](C)CCNC(=O)NC[C@@]1(O)CC[NH+](C)C1 ZINC000358702480 409345503 /nfs/dbraw/zinc/34/55/03/409345503.db2.gz FNCYVJYTMKBMRE-ZDUSSCGKSA-N 2 0 288.392 -1.070 20 0 CAADRP [NH3+]CC(=O)NCC(=O)N[C@@H]1CC[NH2+]C12CCCC2 ZINC000648210481 409347384 /nfs/dbraw/zinc/34/73/84/409347384.db2.gz SLMGEFZBDUTQEU-SECBINFHSA-N 2 0 254.334 -1.148 20 0 CAADRP Cn1cc(C[N@H+](C)CCN2CC[NH2+]CC2)c(=O)n(C)c1=O ZINC000647493270 409347960 /nfs/dbraw/zinc/34/79/60/409347960.db2.gz YKWJBMHUQUMPDG-UHFFFAOYSA-N 2 0 295.387 -1.579 20 0 CAADRP C[C@@H](O)C[N@H+](CC(=O)N1CCN(C)CC1)[C@H](C)CO ZINC000248966822 409352870 /nfs/dbraw/zinc/35/28/70/409352870.db2.gz RXJLEWQIDPUKIY-VXGBXAGGSA-N 2 0 273.377 -1.176 20 0 CAADRP COCC[NH2+]CCNC(=O)CNC(=O)[C@@H]([NH3+])C(C)C ZINC000648106145 409458901 /nfs/dbraw/zinc/45/89/01/409458901.db2.gz DUFPHRHBFASZMA-NSHDSACASA-N 2 0 274.365 -1.562 20 0 CAADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)NCC[NH2+]C1CC1 ZINC000647755403 409403424 /nfs/dbraw/zinc/40/34/24/409403424.db2.gz HKYRMWNYCVEBLF-NSHDSACASA-N 2 0 256.350 -1.046 20 0 CAADRP COCC[NH2+]CC(=O)N(C)CCN1CC[NH2+]CC1 ZINC000647770141 409406254 /nfs/dbraw/zinc/40/62/54/409406254.db2.gz ZCVDYSNUXVRMOW-UHFFFAOYSA-N 2 0 258.366 -1.414 20 0 CAADRP CN(CCN1CC[NH2+]CC1)C(=O)[C@H]1C[NH2+]CCO1 ZINC000647769747 409406309 /nfs/dbraw/zinc/40/63/09/409406309.db2.gz HYRKENTWNZWZIF-LLVKDONJSA-N 2 0 256.350 -1.662 20 0 CAADRP CO[C@H](C[NH3+])CC(=O)N(C)CCN1CC[NH2+]CC1 ZINC000647777182 409407832 /nfs/dbraw/zinc/40/78/32/409407832.db2.gz CTSWHQLAXZQOPA-NSHDSACASA-N 2 0 258.366 -1.286 20 0 CAADRP C[C@H]1[NH2+]CC[C@H]1C(=O)N(C)CC(=O)N1CC[NH2+]CC1 ZINC000645134219 409408207 /nfs/dbraw/zinc/40/82/07/409408207.db2.gz ALSWAZKSNHDKFU-GHMZBOCLSA-N 2 0 268.361 -1.125 20 0 CAADRP CN(CCN1CC[NH2+]CC1)C(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000647777317 409408889 /nfs/dbraw/zinc/40/88/89/409408889.db2.gz KICFUDKBHCSPDE-GDNZZTSVSA-N 2 0 252.362 -1.185 20 0 CAADRP C[C@@H]1[NH2+]CC[C@H]1C(=O)N(C)CC(=O)N1CC[NH2+]CC1 ZINC000645134225 409408932 /nfs/dbraw/zinc/40/89/32/409408932.db2.gz ALSWAZKSNHDKFU-WDEREUQCSA-N 2 0 268.361 -1.125 20 0 CAADRP Cn1c2ncn(CC[N@H+](C)CCC[NH3+])c2c(=O)n(C)c1=O ZINC000647848204 409413136 /nfs/dbraw/zinc/41/31/36/409413136.db2.gz KUWDEYBTOVWXAW-UHFFFAOYSA-N 2 0 294.359 -1.286 20 0 CAADRP C[C@H]([NH3+])[C@@H]1CN(CCC(=O)N2CC[NH2+]CC2)CCO1 ZINC000647865168 409415145 /nfs/dbraw/zinc/41/51/45/409415145.db2.gz AWYBNYDTTKFBPE-RYUDHWBXSA-N 2 0 270.377 -1.144 20 0 CAADRP CO[C@H]1C[NH2+][C@@H](C(=O)N2CCO[C@@H]([C@@H](C)[NH3+])C2)C1 ZINC000647877293 409415323 /nfs/dbraw/zinc/41/53/23/409415323.db2.gz NACFSYMGSXSHGT-GWOFURMSSA-N 2 0 257.334 -1.062 20 0 CAADRP CO[C@H]1C[NH2+][C@@H](C(=O)N2CCO[C@@H]([C@H](C)[NH3+])C2)C1 ZINC000647877294 409415595 /nfs/dbraw/zinc/41/55/95/409415595.db2.gz NACFSYMGSXSHGT-LNFKQOIKSA-N 2 0 257.334 -1.062 20 0 CAADRP CN1CC[NH2+]C[C@H]1CNC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000520228283 409447194 /nfs/dbraw/zinc/44/71/94/409447194.db2.gz DPGQGQGHHGVRFC-RYUDHWBXSA-N 2 0 297.403 -1.736 20 0 CAADRP CCN(CCO)CC[NH2+]C[C@@H](O)CN1CCOCC1 ZINC000519614420 409448279 /nfs/dbraw/zinc/44/82/79/409448279.db2.gz YFFKIJMIRRQQFL-CYBMUJFWSA-N 2 0 275.393 -1.417 20 0 CAADRP COCC[N@H+](C)CCNC(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000351527340 409450845 /nfs/dbraw/zinc/45/08/45/409450845.db2.gz ZSISMAMOXJOUIA-NSHDSACASA-N 2 0 286.376 -1.451 20 0 CAADRP C[C@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001195677863 782011790 /nfs/dbraw/zinc/01/17/90/782011790.db2.gz VTQBAOREZTWJFV-QJPTWQEYSA-N 2 0 285.388 -1.130 20 0 CAADRP O=C(CNC(=O)[C@]12C[NH2+]C[C@H]1COC2)N1CC[NH2+]CC1 ZINC000653045841 409471679 /nfs/dbraw/zinc/47/16/79/409471679.db2.gz PLWBGHDQEBGMQG-GWCFXTLKSA-N 2 0 282.344 -2.230 20 0 CAADRP O=C(CNC(=O)[C@H]1CCC[NH2+]CC1)N1CC[NH2+]CC1 ZINC000653045721 409472249 /nfs/dbraw/zinc/47/22/49/409472249.db2.gz HADUJIPLASUFSQ-NSHDSACASA-N 2 0 268.361 -1.076 20 0 CAADRP C[C@@H]([NH3+])[C@H]1CN(C(=O)[C@]23C[NH2+]C[C@H]2COC3)CCO1 ZINC000653056027 409472721 /nfs/dbraw/zinc/47/27/21/409472721.db2.gz RQKUMQUMBIBJHB-XZUYRWCXSA-N 2 0 269.345 -1.203 20 0 CAADRP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)C1 ZINC000659738126 409473651 /nfs/dbraw/zinc/47/36/51/409473651.db2.gz AGGABRZXPDWZNY-NEPJUHHUSA-N 2 0 298.387 -1.227 20 0 CAADRP C[C@H]([NH3+])[C@H](C)NC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000514950454 409478865 /nfs/dbraw/zinc/47/88/65/409478865.db2.gz GATOFPYBKFCAHG-XKNYDFJKSA-N 2 0 269.349 -1.325 20 0 CAADRP C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CC[NH2+]CC3)C[C@@H]21 ZINC000423627997 409480063 /nfs/dbraw/zinc/48/00/63/409480063.db2.gz VPBKJXFRJRPQJG-MNOVXSKESA-N 2 0 266.345 -1.419 20 0 CAADRP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)[C@H]1CC[NH2+]1 ZINC000659359120 409485563 /nfs/dbraw/zinc/48/55/63/409485563.db2.gz WTWDRGOUXBUNSI-SNVBAGLBSA-N 2 0 256.350 -1.173 20 0 CAADRP O=C(Nc1nc(N2CC[NH2+]CC2)n[nH]1)[C@@H]1C[NH2+]CCO1 ZINC000646803730 409496088 /nfs/dbraw/zinc/49/60/88/409496088.db2.gz JYVXIBJRZCLGER-QMMMGPOBSA-N 2 0 281.320 -1.859 20 0 CAADRP C[C@H]([NH3+])[C@H]1CN(C(=O)C[C@@H]2COCC[NH2+]2)CCO1 ZINC000646850744 409497361 /nfs/dbraw/zinc/49/73/61/409497361.db2.gz IIMFWSFTCKHNQM-HBNTYKKESA-N 2 0 257.334 -1.061 20 0 CAADRP O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)N[C@H]1CC[NH2+]C1 ZINC000646635631 409491656 /nfs/dbraw/zinc/49/16/56/409491656.db2.gz UZLYLGVEVOTSGD-UWVGGRQHSA-N 2 0 254.334 -1.277 20 0 CAADRP COC[C@]1(C(=O)NCCN2CC[NH2+]CC2)CC[NH2+]C1 ZINC000646631839 409491899 /nfs/dbraw/zinc/49/18/99/409491899.db2.gz HVOYPWAPYUAUQP-ZDUSSCGKSA-N 2 0 270.377 -1.366 20 0 CAADRP [NH3+]CCOCC(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000646638607 409492086 /nfs/dbraw/zinc/49/20/86/409492086.db2.gz YLKJMJZEKMALCX-LBPRGKRZSA-N 2 0 298.387 -1.368 20 0 CAADRP O=C(CCNC(=O)[C@H]1CCC[NH2+]1)N[C@H]1CC[NH2+]C1 ZINC000646635632 409492891 /nfs/dbraw/zinc/49/28/91/409492891.db2.gz UZLYLGVEVOTSGD-VHSXEESVSA-N 2 0 254.334 -1.277 20 0 CAADRP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)NCC[NH2+]C1CC1 ZINC000646687281 409492896 /nfs/dbraw/zinc/49/28/96/409492896.db2.gz SXNBEWLMDONSBW-JTQLQIEISA-N 2 0 254.334 -1.277 20 0 CAADRP [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)[C@@H]2C[NH2+]CCO2)C1 ZINC000646667595 409493163 /nfs/dbraw/zinc/49/31/63/409493163.db2.gz JEYNDKKZAUKXJP-MNOVXSKESA-N 2 0 284.360 -1.712 20 0 CAADRP CC(C)[C@@H]([NH3+])CC(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000646637977 409493203 /nfs/dbraw/zinc/49/32/03/409493203.db2.gz PHZPDRAWJGQYLX-JTQLQIEISA-N 2 0 256.350 -1.092 20 0 CAADRP CN(CC(C)(C)[NH3+])C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000659507051 409556777 /nfs/dbraw/zinc/55/67/77/409556777.db2.gz FTIUQWJJQIQSLB-UHFFFAOYSA-N 2 0 271.365 -1.203 20 0 CAADRP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)NCC[NH3+] ZINC000659508371 409557369 /nfs/dbraw/zinc/55/73/69/409557369.db2.gz UNXAJNBZLOQFHV-UHFFFAOYSA-N 2 0 259.354 -1.394 20 0 CAADRP [NH3+][C@@H]1CN(C(=O)NCCN2CC[NH2+]CC2)CC[C@H]1F ZINC000659507413 409557779 /nfs/dbraw/zinc/55/77/79/409557779.db2.gz KHRHTNVRNLLVRN-GHMZBOCLSA-N 2 0 273.356 -1.028 20 0 CAADRP C[NH2+]C[C@H](C)NC(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000659509103 409558758 /nfs/dbraw/zinc/55/87/58/409558758.db2.gz VTPALYWDLUJUJH-VIFPVBQESA-N 2 0 257.338 -1.675 20 0 CAADRP C[C@H](NC(=O)C(=O)N[C@H]1CC[NH2+]C1)[C@H]1CN(C)CCO1 ZINC000659697766 409563850 /nfs/dbraw/zinc/56/38/50/409563850.db2.gz VIBTUBHNZYBZEE-GARJFASQSA-N 2 0 284.360 -1.700 20 0 CAADRP C[NH2+]C[C@H](C)NC(=O)C(=O)N[C@H](C)[C@H]1CN(C)CCO1 ZINC000659697707 409565017 /nfs/dbraw/zinc/56/50/17/409565017.db2.gz UGTLATITXNOEDV-HBNTYKKESA-N 2 0 286.376 -1.454 20 0 CAADRP C[C@@H](NC(=O)C(=O)N(C)CCC[NH3+])[C@@H]1CN(C)CCO1 ZINC000659698445 409566242 /nfs/dbraw/zinc/56/62/42/409566242.db2.gz ZWMAJQAVFNYFBD-MNOVXSKESA-N 2 0 286.376 -1.371 20 0 CAADRP C[NH2+]C[C@H](C)NC(=O)C(=O)NCCOCC[NH+](C)C ZINC000659708582 409566494 /nfs/dbraw/zinc/56/64/94/409566494.db2.gz WVAKVOSYFPYGBN-JTQLQIEISA-N 2 0 274.365 -1.595 20 0 CAADRP C[C@H]([NH3+])[C@H]1CN(C(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)CCO1 ZINC000646843315 409497778 /nfs/dbraw/zinc/49/77/78/409497778.db2.gz IKELBWKOGSMFGU-SDDRHHMPSA-N 2 0 298.387 -1.181 20 0 CAADRP C[C@@H]([NH3+])[C@H]1CN(C(=O)CCOC2C[NH2+]C2)CCO1 ZINC000646842326 409497920 /nfs/dbraw/zinc/49/79/20/409497920.db2.gz ANNLIJKUWXMBHD-MWLCHTKSSA-N 2 0 257.334 -1.061 20 0 CAADRP C[C@@H]([NH3+])[C@@H]1CN(C(=O)CCOC2C[NH2+]C2)CCO1 ZINC000646842324 409497991 /nfs/dbraw/zinc/49/79/91/409497991.db2.gz ANNLIJKUWXMBHD-KOLCDFICSA-N 2 0 257.334 -1.061 20 0 CAADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)CCOC2C[NH2+]C2)CCO1 ZINC000646842328 409498141 /nfs/dbraw/zinc/49/81/41/409498141.db2.gz ANNLIJKUWXMBHD-ONGXEEELSA-N 2 0 257.334 -1.061 20 0 CAADRP COCC[N@H+](C)C[C@@H](O)CN1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC000653829759 409498325 /nfs/dbraw/zinc/49/83/25/409498325.db2.gz VUZZTYSTMYHUCE-BFHYXJOUSA-N 2 0 287.404 -1.324 20 0 CAADRP O=C(NCCN1CC[NH2+]CC1)NCCN1CC[NH2+]CC1 ZINC000034113930 409500256 /nfs/dbraw/zinc/50/02/56/409500256.db2.gz VIPVTKIEOPHHHH-UHFFFAOYSA-N 2 0 284.408 -1.904 20 0 CAADRP C[C@@H](CNC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1)[NH+](C)C ZINC000573459816 409509186 /nfs/dbraw/zinc/50/91/86/409509186.db2.gz ORLFOULTWGSWNP-HBNTYKKESA-N 2 0 283.376 -1.110 20 0 CAADRP C[C@@H](CNC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1)[NH+](C)C ZINC000573459812 409509208 /nfs/dbraw/zinc/50/92/08/409509208.db2.gz ORLFOULTWGSWNP-DCAQKATOSA-N 2 0 283.376 -1.110 20 0 CAADRP CN1C[C@H]([NH2+][C@H]2CC(=O)N(CC[NH+](C)C)C2=O)CCC1=O ZINC000573455285 409509295 /nfs/dbraw/zinc/50/92/95/409509295.db2.gz GVXMERVLQHCECB-MNOVXSKESA-N 2 0 296.371 -1.114 20 0 CAADRP COCC[N@H+](C)C[C@H](O)CN1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC000405414720 409512630 /nfs/dbraw/zinc/51/26/30/409512630.db2.gz VUZZTYSTMYHUCE-MJBXVCDLSA-N 2 0 287.404 -1.324 20 0 CAADRP O=C(NC[C@@H]1C[NH2+]CCCO1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000655970899 409521711 /nfs/dbraw/zinc/52/17/11/409521711.db2.gz ZVXDOYLTNAERTL-XQQFMLRXSA-N 2 0 298.387 -1.175 20 0 CAADRP 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 409521929 /nfs/dbraw/zinc/52/19/29/409521929.db2.gz WAOWQWWSALLVFB-RNWYCLNJSA-N 2 0 266.345 -1.335 20 0 CAADRP C[C@H](CNC(=O)C(=O)NC1C[NH2+]C1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000656023061 409524287 /nfs/dbraw/zinc/52/42/87/409524287.db2.gz SUHWEPGKLJLRRZ-MXWKQRLJSA-N 2 0 298.387 -1.312 20 0 CAADRP [NH3+]C1(CNC(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)CCC1 ZINC000656023479 409524384 /nfs/dbraw/zinc/52/43/84/409524384.db2.gz BNVBIEDMSYCDOT-WDEREUQCSA-N 2 0 296.371 -1.739 20 0 CAADRP C[C@@H](CNC(=O)C(=O)NC1C[NH2+]C1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000656023060 409524418 /nfs/dbraw/zinc/52/44/18/409524418.db2.gz SUHWEPGKLJLRRZ-GARJFASQSA-N 2 0 298.387 -1.312 20 0 CAADRP C[C@@H](CNC(=O)C(=O)NCC[NH3+])N1C[C@@H](C)O[C@@H](C)C1 ZINC000656018161 409524580 /nfs/dbraw/zinc/52/45/80/409524580.db2.gz PXUHVUWALKNNAZ-GARJFASQSA-N 2 0 286.376 -1.325 20 0 CAADRP CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000656023202 409526660 /nfs/dbraw/zinc/52/66/60/409526660.db2.gz YFQNPBFDRVKXFH-TUAOUCFPSA-N 2 0 298.387 -1.637 20 0 CAADRP C[C@@H]([NH3+])CNC(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000656021986 409526778 /nfs/dbraw/zinc/52/67/78/409526778.db2.gz QXHYHSVITLBKFV-KXUCPTDWSA-N 2 0 270.333 -2.273 20 0 CAADRP CCC[NH2+]CCNC(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000656021724 409527010 /nfs/dbraw/zinc/52/70/10/409527010.db2.gz IDJMCRALLKKXOZ-NWDGAFQWSA-N 2 0 298.387 -1.620 20 0 CAADRP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000656024915 409527341 /nfs/dbraw/zinc/52/73/41/409527341.db2.gz XOPIWMFWFNTDHW-FIQHERPVSA-N 2 0 298.387 -1.494 20 0 CAADRP C[C@H](CC[NH3+])NC(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000656023177 409527499 /nfs/dbraw/zinc/52/74/99/409527499.db2.gz XLHVQGKOUWJAEZ-OUAUKWLOSA-N 2 0 284.360 -1.883 20 0 CAADRP CN(CC[NH+](C)C)C(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000656062572 409527613 /nfs/dbraw/zinc/52/76/13/409527613.db2.gz NZLQNANFKDIEHE-NWDGAFQWSA-N 2 0 298.387 -1.716 20 0 CAADRP [NH3+]C[C@H]1CCCN1C(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000656103905 409529093 /nfs/dbraw/zinc/52/90/93/409529093.db2.gz CNVYIFKRUMIDIG-GRYCIOLGSA-N 2 0 296.371 -1.787 20 0 CAADRP C[C@@H](C[NH3+])N(C)C(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000656104190 409529349 /nfs/dbraw/zinc/52/93/49/409529349.db2.gz JVYQWEPBEWVPTI-GARJFASQSA-N 2 0 284.360 -1.931 20 0 CAADRP C[NH2+][C@H]1CCN(C(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)C1 ZINC000656102799 409529892 /nfs/dbraw/zinc/52/98/92/409529892.db2.gz PAPMUGAVXHSWQN-SDDRHHMPSA-N 2 0 296.371 -1.916 20 0 CAADRP C[NH2+]CCCN(C)C(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000656104631 409530910 /nfs/dbraw/zinc/53/09/10/409530910.db2.gz SRUVKZOWWVRSIJ-NWDGAFQWSA-N 2 0 298.387 -1.668 20 0 CAADRP [NH3+][C@H]1CCCN(C(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)C1 ZINC000656104676 409531559 /nfs/dbraw/zinc/53/15/59/409531559.db2.gz UQSJKCMLNYRKOQ-SDDRHHMPSA-N 2 0 296.371 -1.787 20 0 CAADRP C[NH2+][C@@H]1CCN(C(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)C1 ZINC000656102798 409531595 /nfs/dbraw/zinc/53/15/95/409531595.db2.gz PAPMUGAVXHSWQN-GRYCIOLGSA-N 2 0 296.371 -1.916 20 0 CAADRP C[C@@H]1CN(C(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)CC[NH2+]1 ZINC000656104108 409531652 /nfs/dbraw/zinc/53/16/52/409531652.db2.gz HMLVNZZQCDGFRC-GRYCIOLGSA-N 2 0 296.371 -1.916 20 0 CAADRP CC[NH+](CC)CC[C@@H](CO)Nc1nc(N)[nH+]c(N)n1 ZINC000624178883 409545991 /nfs/dbraw/zinc/54/59/91/409545991.db2.gz DINAARCNBMGGLE-QMMMGPOBSA-N 2 0 269.353 -1.377 20 0 CAADRP O=C(C[NH2+]C[C@H]1CCCO1)N1CCOC2(C[NH2+]C2)C1 ZINC000663484759 409621464 /nfs/dbraw/zinc/62/14/64/409621464.db2.gz HIQADSCIXSQUKD-LLVKDONJSA-N 2 0 269.345 -1.044 20 0 CAADRP CC(C)OC[C@H]([NH3+])C(=O)N1CCOC2(C[NH2+]C2)C1 ZINC000663217036 409622912 /nfs/dbraw/zinc/62/29/12/409622912.db2.gz ATCQNUKSMZPXQB-JTQLQIEISA-N 2 0 257.334 -1.061 20 0 CAADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CCOC2(C[NH2+]C2)C1 ZINC000664728002 409632545 /nfs/dbraw/zinc/63/25/45/409632545.db2.gz VRRCHJMKPXLUDJ-NSHDSACASA-N 2 0 284.360 -1.713 20 0 CAADRP C[NH2+]C[C@@H](C)NC(=O)C(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000659750270 409571988 /nfs/dbraw/zinc/57/19/88/409571988.db2.gz FRFJONMTVKZJEU-ZJUUUORDSA-N 2 0 256.350 -1.079 20 0 CAADRP C[NH2+]C[C@@H](C)NC(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000659756051 409572961 /nfs/dbraw/zinc/57/29/61/409572961.db2.gz PKSVTQRITJRHKC-OUAUKWLOSA-N 2 0 284.360 -2.012 20 0 CAADRP C[NH2+]C[C@H](C)NC(=O)C(=O)N(CCOC)CC[NH+](C)C ZINC000659754589 409573972 /nfs/dbraw/zinc/57/39/72/409573972.db2.gz VQRJUDCOYXBUDH-NSHDSACASA-N 2 0 288.392 -1.253 20 0 CAADRP CO[C@@H]1C[NH+](C/C=C\C[N@@H+]2C[C@@H](O)[C@H](OC)C2)C[C@H]1O ZINC000660735924 409581302 /nfs/dbraw/zinc/58/13/02/409581302.db2.gz MZOVDCXGKUATRG-UJESFUDVSA-N 2 0 286.372 -1.074 20 0 CAADRP [NH3+]CCN(C[C@@H](O)CO)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662285885 409585367 /nfs/dbraw/zinc/58/53/67/409585367.db2.gz LCGZEJVSCLJDTD-GHMZBOCLSA-N 2 0 259.350 -1.879 20 0 CAADRP [NH3+]CCN(C[C@@H](O)CO)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662285886 409586556 /nfs/dbraw/zinc/58/65/56/409586556.db2.gz LCGZEJVSCLJDTD-MNOVXSKESA-N 2 0 259.350 -1.879 20 0 CAADRP [NH3+]CCN(C[C@H](O)CO)C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000662287566 409590205 /nfs/dbraw/zinc/59/02/05/409590205.db2.gz CUPYTVDHNFWGAQ-KKUMJFAQSA-N 2 0 297.399 -1.469 20 0 CAADRP O=C([C@H]1CCCN(C(=O)C2(O)C[NH2+]C2)C1)N1CC[NH2+]CC1 ZINC000662401093 409593880 /nfs/dbraw/zinc/59/38/80/409593880.db2.gz JCCINZRLQXWCLI-NSHDSACASA-N 2 0 296.371 -2.009 20 0 CAADRP CC1(C)CC[NH2+][C@H]1C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000662401756 409594022 /nfs/dbraw/zinc/59/40/22/409594022.db2.gz RJFHSLJFYPDREG-NSHDSACASA-N 2 0 268.361 -1.078 20 0 CAADRP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)COCC[NH3+] ZINC000662659374 409601631 /nfs/dbraw/zinc/60/16/31/409601631.db2.gz LBECUACMSKWJEQ-UHFFFAOYSA-N 2 0 274.365 -1.560 20 0 CAADRP CO[C@H](C[NH3+])CC(=O)N(CC[NH+](C)C)CC(=O)N(C)C ZINC000662659189 409601705 /nfs/dbraw/zinc/60/17/05/409601705.db2.gz JDJXGPXHOHXUGK-NSHDSACASA-N 2 0 288.392 -1.171 20 0 CAADRP CN(CCC[NH+](C)C)CCNC(=O)[C@H]1C[NH2+]CCO1 ZINC000662633025 409602148 /nfs/dbraw/zinc/60/21/48/409602148.db2.gz XICDSZJJGXKQJD-GFCCVEGCSA-N 2 0 272.393 -1.026 20 0 CAADRP [NH3+]CC12CC(C1)CN2C(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000662679555 409602277 /nfs/dbraw/zinc/60/22/77/409602277.db2.gz AFNKKAHLBXXVNY-QUNCOHTASA-N 2 0 266.345 -1.196 20 0 CAADRP CN(CCC[NH+](C)C)CCNC(=O)CNC(=O)C[NH3+] ZINC000662632093 409602778 /nfs/dbraw/zinc/60/27/78/409602778.db2.gz LYBZWQGOYZLPIP-UHFFFAOYSA-N 2 0 273.381 -1.939 20 0 CAADRP CN(CCC[NH+](C)C)CCNC(=O)c1cn(CC[NH3+])nn1 ZINC000662630692 409603305 /nfs/dbraw/zinc/60/33/05/409603305.db2.gz HRYRAAULBNCSEX-UHFFFAOYSA-N 2 0 297.407 -1.150 20 0 CAADRP C[C@@H](CNC(=O)C1(O)C[NH2+]C1)C[NH+]1CCN(C)CC1 ZINC000662758368 409606699 /nfs/dbraw/zinc/60/66/99/409606699.db2.gz QYEQHLBJMWRYGG-NSHDSACASA-N 2 0 270.377 -1.680 20 0 CAADRP C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)C2(O)C[NH2+]C2)CC1 ZINC000662792905 409607229 /nfs/dbraw/zinc/60/72/29/409607229.db2.gz YVHFTHFSNCBJET-CYBMUJFWSA-N 2 0 296.415 -1.051 20 0 CAADRP COCC[N@@H+]1CCCN(C(=O)C2(O)C[NH2+]C2)CC1 ZINC000662787837 409608711 /nfs/dbraw/zinc/60/87/11/409608711.db2.gz TVPZYIOTXXEZIT-UHFFFAOYSA-N 2 0 257.334 -1.499 20 0 CAADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000662944898 409615408 /nfs/dbraw/zinc/61/54/08/409615408.db2.gz AEJZJIOSBLXLML-KKZNHRDASA-N 2 0 274.340 -1.016 20 0 CAADRP C[NH+](C)CCn1ccc(NC(=O)COCC[NH3+])n1 ZINC000646428447 409648169 /nfs/dbraw/zinc/64/81/69/409648169.db2.gz OHCZPDWWAONYKD-UHFFFAOYSA-N 2 0 255.322 -0.642 20 0 CAADRP C[C@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001195702082 782014465 /nfs/dbraw/zinc/01/44/65/782014465.db2.gz XARGVPHWKAVPLM-QJPTWQEYSA-N 2 0 273.377 -1.130 20 0 CAADRP COCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001195859667 782018418 /nfs/dbraw/zinc/01/84/18/782018418.db2.gz NADVSTDUSFDHPB-GHMZBOCLSA-N 2 0 259.350 -1.254 20 0 CAADRP C[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CCCO)C[C@H]1O ZINC001195870669 782018654 /nfs/dbraw/zinc/01/86/54/782018654.db2.gz JNTSDMUUDMZFQO-GHMZBOCLSA-N 2 0 259.350 -1.518 20 0 CAADRP COC[C@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001195860396 782019019 /nfs/dbraw/zinc/01/90/19/782019019.db2.gz XHCNIVRCJUQFFI-IJLUTSLNSA-N 2 0 289.376 -1.893 20 0 CAADRP C[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@H]1O ZINC001195860388 782019468 /nfs/dbraw/zinc/01/94/68/782019468.db2.gz WVYYDSQLPBJHJN-VXGBXAGGSA-N 2 0 289.376 -1.892 20 0 CAADRP C[C@@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001195860335 782019863 /nfs/dbraw/zinc/01/98/63/782019863.db2.gz VWNMJLUHVFPREX-GMTAPVOTSA-N 2 0 259.350 -1.520 20 0 CAADRP C[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CCn2cccn2)C[C@H]1O ZINC001195860518 782020000 /nfs/dbraw/zinc/02/00/00/782020000.db2.gz YDSTVYZJPXZAJC-CHWSQXEVSA-N 2 0 295.387 -1.004 20 0 CAADRP C[NH+]1CCC(NS(=O)(=O)N2CC[NH2+]CC2)CC1 ZINC000037267847 173079343 /nfs/dbraw/zinc/07/93/43/173079343.db2.gz RQQDORLFRPYYOT-UHFFFAOYSA-N 2 0 262.379 -1.180 20 0 CAADRP C[C@@H]1[C@@H]([NH3+])CCN1C(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000343590540 224807096 /nfs/dbraw/zinc/80/70/96/224807096.db2.gz INUNJYOWIRBMQL-UTLUCORTSA-N 2 0 254.334 -1.197 20 0 CAADRP CN(C(=O)CNC(=O)C[NH3+])[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000347660911 226229154 /nfs/dbraw/zinc/22/91/54/226229154.db2.gz UIKRKGGNCWDBBB-SNVBAGLBSA-N 2 0 254.334 -1.244 20 0 CAADRP C[NH+](C)CCNC(=O)CC(O)CC(=O)NCC[NH+](C)C ZINC000350871364 227151923 /nfs/dbraw/zinc/15/19/23/227151923.db2.gz QBKHLOXDJFMFOG-UHFFFAOYSA-N 2 0 288.392 -1.517 20 0 CAADRP COCC[N@H+](C)CCNC(=O)C(=O)N1CC[NH2+]C[C@H]1C ZINC000419358708 230254395 /nfs/dbraw/zinc/25/43/95/230254395.db2.gz PQWFCRUCSBRLEJ-LLVKDONJSA-N 2 0 286.376 -1.499 20 0 CAADRP C[C@H]1CCC[N@H+](CCNC(=O)C(=O)NCC[NH3+])C1 ZINC000419418194 230254551 /nfs/dbraw/zinc/25/45/51/230254551.db2.gz XZBAFFZMWUBRAF-JTQLQIEISA-N 2 0 256.350 -1.091 20 0 CAADRP COCC[N@H+](C)CCNC(=O)C(=O)N1CC[NH2+]C[C@@H]1C ZINC000419358714 230255190 /nfs/dbraw/zinc/25/51/90/230255190.db2.gz PQWFCRUCSBRLEJ-NSHDSACASA-N 2 0 286.376 -1.499 20 0 CAADRP C[C@@H]1CCC[N@H+](CCNC(=O)C(=O)NCC[NH3+])C1 ZINC000419418197 230255259 /nfs/dbraw/zinc/25/52/59/230255259.db2.gz XZBAFFZMWUBRAF-SNVBAGLBSA-N 2 0 256.350 -1.091 20 0 CAADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CC[NH2+][C@@H](C)C2)C1 ZINC000419734625 230256602 /nfs/dbraw/zinc/25/66/02/230256602.db2.gz VNPRKGQWAXNLPF-RYUDHWBXSA-N 2 0 298.387 -1.356 20 0 CAADRP COCCN(CC[NH+](C)C)C(=O)C(=O)NCC(C)(C)[NH3+] ZINC000420060027 230259555 /nfs/dbraw/zinc/25/95/55/230259555.db2.gz PYULRIZFRPPYCH-UHFFFAOYSA-N 2 0 288.392 -1.124 20 0 CAADRP COCCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@H]([NH3+])C1 ZINC000423258532 230269479 /nfs/dbraw/zinc/26/94/79/230269479.db2.gz BSLZCPQPPGHOQW-NSHDSACASA-N 2 0 286.376 -1.417 20 0 CAADRP COCCN(CC[NH+](C)C)C(=O)C(=O)N1CC[NH2+]CC1 ZINC000423264970 230269715 /nfs/dbraw/zinc/26/97/15/230269715.db2.gz QJUBKDXRWYISAX-UHFFFAOYSA-N 2 0 286.376 -1.545 20 0 CAADRP O=C(NCC[N@@H+]1CCCOCC1)[C@H]1COCCN1 ZINC000424166032 230278211 /nfs/dbraw/zinc/27/82/11/230278211.db2.gz FUCSMCHLCUVFJF-LLVKDONJSA-N 2 0 257.334 -1.187 20 0 CAADRP NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C[C@H]1C[NH2+]CCO1 ZINC000430900290 230310593 /nfs/dbraw/zinc/31/05/93/230310593.db2.gz PGUWBFPIHDYCCH-RYUDHWBXSA-N 2 0 298.387 -1.179 20 0 CAADRP COCC[NH2+]CC(=O)NC[C@@H](C)N1CC[NH+](C)CC1 ZINC000431004817 230311213 /nfs/dbraw/zinc/31/12/13/230311213.db2.gz KIQVGTPHSINWAQ-GFCCVEGCSA-N 2 0 272.393 -1.026 20 0 CAADRP COCC[NH2+]CC(=O)NC[C@H](C)N1CC[NH+](C)CC1 ZINC000431004818 230311498 /nfs/dbraw/zinc/31/14/98/230311498.db2.gz KIQVGTPHSINWAQ-LBPRGKRZSA-N 2 0 272.393 -1.026 20 0 CAADRP [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)[C@H]2C[NH2+]CCO2)C1 ZINC000444159291 230335513 /nfs/dbraw/zinc/33/55/13/230335513.db2.gz JEYNDKKZAUKXJP-GHMZBOCLSA-N 2 0 284.360 -1.712 20 0 CAADRP O[C@@H]1C[N@H+](CCCCC[NH+]2C[C@H](O)[C@@H](O)C2)C[C@@H]1O ZINC000444710249 230336735 /nfs/dbraw/zinc/33/67/35/230336735.db2.gz USGZRCGDMMGZDG-ZDEQEGDKSA-N 2 0 274.361 -1.769 20 0 CAADRP [NH3+][C@@H]1C[C@H]2CN(C(=O)[C@@H]3CCC[NH2+]3)CCN2C1=O ZINC000518398777 260398397 /nfs/dbraw/zinc/39/83/97/260398397.db2.gz ZRWDJYNHOSXIOS-AEJSXWLSSA-N 2 0 252.318 -1.491 20 0 CAADRP [NH3+][C@@H]1C[C@H]2CN(C(=O)[C@H]3CCC[NH2+]3)CCN2C1=O ZINC000518398783 260398733 /nfs/dbraw/zinc/39/87/33/260398733.db2.gz ZRWDJYNHOSXIOS-IVZWLZJFSA-N 2 0 252.318 -1.491 20 0 CAADRP [NH3+][C@@H]1C[C@@H]2CN(C(=O)[C@@H]3CCC[NH2+]3)CCN2C1=O ZINC000518398782 260398820 /nfs/dbraw/zinc/39/88/20/260398820.db2.gz ZRWDJYNHOSXIOS-BBBLOLIVSA-N 2 0 252.318 -1.491 20 0 CAADRP C[NH+](C)C1(CNC(=O)C(=O)NC2C[NH2+]C2)CCC1 ZINC000517019988 269088689 /nfs/dbraw/zinc/08/86/89/269088689.db2.gz JYNRTHFKALKUOS-UHFFFAOYSA-N 2 0 254.334 -1.325 20 0 CAADRP C[NH+](C)C[C@@H]1CCN(C(=O)CN2CCNCC2=O)C1 ZINC000517367349 269088738 /nfs/dbraw/zinc/08/87/38/269088738.db2.gz IXNYJKNSDUUJEH-NSHDSACASA-N 2 0 268.361 -1.172 20 0 CAADRP C[C@@H]1C[N@@H+](C[C@H](O)CNC[C@H](O)C[NH+](C)C)C[C@H](C)O1 ZINC000517741918 269088783 /nfs/dbraw/zinc/08/87/83/269088783.db2.gz IVTUDXCQHBEUNQ-RFQIPJPRSA-N 2 0 289.420 -1.031 20 0 CAADRP COC[C@]1(C(=O)NC[C@H]2C[NH2+]CCN2C)CC[NH2+]C1 ZINC000518167956 269088791 /nfs/dbraw/zinc/08/87/91/269088791.db2.gz UAEIYDAPVCRHFD-YPMHNXCESA-N 2 0 270.377 -1.368 20 0 CAADRP COC[C@]1(C(=O)NC[C@@H]2C[NH2+]CCN2C)CC[NH2+]C1 ZINC000518167952 269088904 /nfs/dbraw/zinc/08/89/04/269088904.db2.gz UAEIYDAPVCRHFD-AAEUAGOBSA-N 2 0 270.377 -1.368 20 0 CAADRP CC[NH2+]CCNC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000521464359 269089338 /nfs/dbraw/zinc/08/93/38/269089338.db2.gz SWOZVCBMRCWUMX-VHSXEESVSA-N 2 0 269.349 -1.451 20 0 CAADRP CC[NH2+]CCNC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000521464360 269089368 /nfs/dbraw/zinc/08/93/68/269089368.db2.gz SWOZVCBMRCWUMX-ZJUUUORDSA-N 2 0 269.349 -1.451 20 0 CAADRP CO[C@H](C[NH3+])CC(=O)Nc1nc(N2CC[NH2+]CC2)n[nH]1 ZINC000519820959 269089647 /nfs/dbraw/zinc/08/96/47/269089647.db2.gz CPMHRJPEBYOBIZ-QMMMGPOBSA-N 2 0 283.336 -1.483 20 0 CAADRP CC[NH+](CC)CCNC(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000521070709 269089679 /nfs/dbraw/zinc/08/96/79/269089679.db2.gz DTXUBXIICLURIB-JTQLQIEISA-N 2 0 256.350 -1.078 20 0 CAADRP CCN1C[C@H](C(=O)N2CCN(C)C[C@H]2C[NH3+])CC1=O ZINC000522001304 269089959 /nfs/dbraw/zinc/08/99/59/269089959.db2.gz PKYSRISQMMVKGF-GHMZBOCLSA-N 2 0 268.361 -1.044 20 0 CAADRP [NH3+][C@@H]1C[C@H]2CN(CC(=O)NC(=O)NC3CC3)CCN2C1=O ZINC000522015660 269090048 /nfs/dbraw/zinc/09/00/48/269090048.db2.gz YVBFLSPOTVXOJM-VHSXEESVSA-N 2 0 295.343 -1.782 20 0 CAADRP C[C@@H]([NH3+])CNC(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000529338617 269092163 /nfs/dbraw/zinc/09/21/63/269092163.db2.gz MVUFROFKTIBQMK-LLVKDONJSA-N 2 0 298.391 -1.314 20 0 CAADRP COCC[N@@H+]1CC[C@H](NC(=O)NC[C@H]2COCC[NH2+]2)C1 ZINC000529310633 269092198 /nfs/dbraw/zinc/09/21/98/269092198.db2.gz RBLLUBYECSBQTR-RYUDHWBXSA-N 2 0 286.376 -1.005 20 0 CAADRP [NH3+]CCCNC(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000529334638 269092208 /nfs/dbraw/zinc/09/22/08/269092208.db2.gz WYJSXVPDGOODQX-UHFFFAOYSA-N 2 0 298.391 -1.312 20 0 CAADRP CN1CC[NH2+]C[C@@H]1CNC(=O)NC[C@@H]1COCC[NH2+]1 ZINC000529342164 269092266 /nfs/dbraw/zinc/09/22/66/269092266.db2.gz LHGPEBYXVZSBJK-GHMZBOCLSA-N 2 0 271.365 -1.822 20 0 CAADRP CN(C(=O)NC[C@@H]1COCC[NH2+]1)[C@H]1C[NH2+]C[C@@H]1O ZINC000529390413 269093229 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O=C(NC[C@H]1COCC[NH2+]1)NC[C@H]1C[NH2+]CCCO1 ZINC000529344873 269093680 /nfs/dbraw/zinc/09/36/80/269093680.db2.gz UECRCHZITHNFDT-WDEREUQCSA-N 2 0 272.349 -1.348 20 0 CAADRP CN(C(=O)NC[C@H]1COCC[NH2+]1)[C@H]1C[NH2+]C[C@@H]1O ZINC000529390396 269093755 /nfs/dbraw/zinc/09/37/55/269093755.db2.gz TXWUSDYNBUXZPT-GUBZILKMSA-N 2 0 258.322 -2.051 20 0 CAADRP CN1CCN(C(=O)NC[C@@H]2COCC[NH2+]2)[C@H](C[NH3+])C1 ZINC000529389062 269093779 /nfs/dbraw/zinc/09/37/79/269093779.db2.gz QIWQTRBZPIUFPR-GHMZBOCLSA-N 2 0 271.365 -1.741 20 0 CAADRP [NH3+]CCCN1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000530222718 269094728 /nfs/dbraw/zinc/09/47/28/269094728.db2.gz JZOADZQTASAJPU-UHFFFAOYSA-N 2 0 255.366 -1.022 20 0 CAADRP C[C@H]([NH3+])CN1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000530223741 269094738 /nfs/dbraw/zinc/09/47/38/269094738.db2.gz QHYCBDAXRCWXGV-NSHDSACASA-N 2 0 255.366 -1.024 20 0 CAADRP [NH3+]CCOCCN1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000530224453 269094748 /nfs/dbraw/zinc/09/47/48/269094748.db2.gz 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[NH3+]C[C@H]1CCCN1C(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000564944971 327247841 /nfs/dbraw/zinc/24/78/41/327247841.db2.gz XTKPGNKTPWIYSM-ZJUUUORDSA-N 2 0 254.334 -1.196 20 0 CAADRP COC[C@@]1(CNC(=O)CNC(=O)[C@H]2CCC[NH2+]2)CCC[NH2+]1 ZINC000564948618 327252317 /nfs/dbraw/zinc/25/23/17/327252317.db2.gz JDJDKPFFFRCXRI-RISCZKNCSA-N 2 0 298.387 -1.261 20 0 CAADRP CC1(C)CCC[NH2+][C@@H]1CNC(=O)CNC(=O)C[NH3+] ZINC000564949371 327253522 /nfs/dbraw/zinc/25/35/22/327253522.db2.gz IBMDGSLKTJHIIY-SECBINFHSA-N 2 0 256.350 -1.044 20 0 CAADRP [NH3+]CC[C@@H](NC(=O)CNC(=O)[C@H]1CCC[NH2+]1)C(F)F ZINC000564953994 327258678 /nfs/dbraw/zinc/25/86/78/327258678.db2.gz JIVYVLSYAAMETK-HTQZYQBOSA-N 2 0 278.303 -1.047 20 0 CAADRP [NH3+]CC[C@H](NC(=O)CNC(=O)[C@@H]1CCC[NH2+]1)C(F)F ZINC000564954010 327258752 /nfs/dbraw/zinc/25/87/52/327258752.db2.gz JIVYVLSYAAMETK-YUMQZZPRSA-N 2 0 278.303 -1.047 20 0 CAADRP [NH3+]CC[C@H](NC(=O)CNC(=O)[C@H]1CCC[NH2+]1)C(F)F ZINC000564954006 327258762 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[NH3+]CC1(CC(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)CC1 ZINC000566495202 327399014 /nfs/dbraw/zinc/39/90/14/327399014.db2.gz DJNWXWRQDZIGFP-ZJUUUORDSA-N 2 0 266.345 -1.114 20 0 CAADRP [NH3+][C@@H]1C[C@H]2CN(C(=O)C[C@H]3CSCC[NH2+]3)CCN2C1=O ZINC000566495874 327399425 /nfs/dbraw/zinc/39/94/25/327399425.db2.gz LNNYDEDSUYKFCI-GARJFASQSA-N 2 0 298.412 -1.148 20 0 CAADRP C[C@]1(C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)CC[NH2+]C1 ZINC000566573043 327413411 /nfs/dbraw/zinc/41/34/11/327413411.db2.gz VYMXBXYCCPGPCY-BREBYQMCSA-N 2 0 266.345 -1.244 20 0 CAADRP [NH3+][C@H]1C[C@@H](C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)C1 ZINC000569744235 327544599 /nfs/dbraw/zinc/54/45/99/327544599.db2.gz HZDONRBTOMLEOO-UTINFBMNSA-N 2 0 252.318 -1.506 20 0 CAADRP [NH3+][C@H]1C[C@@H](C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)C1 ZINC000569744232 327544604 /nfs/dbraw/zinc/54/46/04/327544604.db2.gz HZDONRBTOMLEOO-RGOKHQFPSA-N 2 0 252.318 -1.506 20 0 CAADRP CN1CC[NH2+]C[C@H]1CNC(=O)C[C@H]1C[NH2+]CCO1 ZINC000569843673 327551632 /nfs/dbraw/zinc/55/16/32/327551632.db2.gz LIVCYVSPHIFSIP-QWRGUYRKSA-N 2 0 256.350 -1.615 20 0 CAADRP [NH3+][C@@H](CNC(=O)CNC(=O)[C@@H]1CCC[NH2+]1)C1CC1 ZINC000570041618 327565106 /nfs/dbraw/zinc/56/51/06/327565106.db2.gz BJXVUJYKPHLLGM-UWVGGRQHSA-N 2 0 254.334 -1.292 20 0 CAADRP [NH3+][C@@H](CNC(=O)CNC(=O)[C@H]1CCC[NH2+]1)C1CC1 ZINC000570041619 327565199 /nfs/dbraw/zinc/56/51/99/327565199.db2.gz BJXVUJYKPHLLGM-VHSXEESVSA-N 2 0 254.334 -1.292 20 0 CAADRP C[NH2+][C@H]1CCN(C(=O)CNC(=O)[C@@H]([NH3+])C(C)C)C1 ZINC000570332165 327583258 /nfs/dbraw/zinc/58/32/58/327583258.db2.gz JCXXDXREOSKCOC-ONGXEEELSA-N 2 0 256.350 -1.094 20 0 CAADRP C[NH+](C)CCOCCNC(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000563976006 328842409 /nfs/dbraw/zinc/84/24/09/328842409.db2.gz BOBAKHUCEAPKEK-JTQLQIEISA-N 2 0 272.349 -1.841 20 0 CAADRP CN1CC[NH2+]C[C@@H]1CNC(=O)C(C)(C)N1CC[NH2+]CC1 ZINC000582545699 329105158 /nfs/dbraw/zinc/10/51/58/329105158.db2.gz BTVBKALBTIKGRG-GFCCVEGCSA-N 2 0 283.420 -1.310 20 0 CAADRP C[C@H]1COCCN1CCNC(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000582797388 329209404 /nfs/dbraw/zinc/20/94/04/329209404.db2.gz OMCZATBPRYUIJT-QWRGUYRKSA-N 2 0 284.360 -1.699 20 0 CAADRP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](CCOCC[NH3+])C1 ZINC000583084193 329312034 /nfs/dbraw/zinc/31/20/34/329312034.db2.gz BXGYGSZALNIBDJ-NSHDSACASA-N 3 0 258.366 -1.251 20 0 CAADRP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)NCCCN1CC[NH2+]CC1 ZINC000583261926 329406758 /nfs/dbraw/zinc/40/67/58/329406758.db2.gz MVXKGASVDGUIDN-LBPRGKRZSA-N 2 0 297.403 -1.734 20 0 CAADRP COC[C@]1(C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)CC[NH2+]C1 ZINC000583274127 329419125 /nfs/dbraw/zinc/41/91/25/329419125.db2.gz OBXYVOGZZISXDJ-MJVIPROJSA-N 2 0 296.371 -1.617 20 0 CAADRP [NH3+][C@@H]1C[C@H]2CN(C(=O)N[C@H]3CC[NH2+]C3)CCN2C1=O ZINC000583764568 329475974 /nfs/dbraw/zinc/47/59/74/329475974.db2.gz MGIVGOIZXYNELI-LPEHRKFASA-N 2 0 267.333 -1.698 20 0 CAADRP [NH3+][C@H]1C[C@H]2CN(C(=O)N[C@H]3CC[NH2+]C3)CCN2C1=O ZINC000583764566 329476182 /nfs/dbraw/zinc/47/61/82/329476182.db2.gz MGIVGOIZXYNELI-GUBZILKMSA-N 2 0 267.333 -1.698 20 0 CAADRP [NH3+][C@H]1C[C@@H]2CN(C(=O)[C@@H]3CCC[NH2+]3)CCN2C1=O ZINC000583824302 329481743 /nfs/dbraw/zinc/48/17/43/329481743.db2.gz ZRWDJYNHOSXIOS-UTLUCORTSA-N 2 0 252.318 -1.491 20 0 CAADRP COC(=O)C[C@H]([NH3+])C(=O)NCCNc1cc[nH+]cc1 ZINC000584527582 329512658 /nfs/dbraw/zinc/51/26/58/329512658.db2.gz UKOKZIPGXBQBFR-JTQLQIEISA-N 2 0 266.301 -1.078 20 0 CAADRP CC(=O)NCC[NH2+][C@H]1CC(=O)N(CC[NH+](C)C)C1=O ZINC000571696623 329910452 /nfs/dbraw/zinc/91/04/52/329910452.db2.gz FZUCZQLMGCVHEQ-JTQLQIEISA-N 2 0 270.333 -1.599 20 0 CAADRP C[NH2+]CCC(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000572241049 329960493 /nfs/dbraw/zinc/96/04/93/329960493.db2.gz IUXVIKOPZKSSOV-JTQLQIEISA-N 2 0 256.350 -1.091 20 0 CAADRP [NH3+][C@@H]1C[C@@H]2CN(C(=O)C[NH2+]C[C@@H]3CCCO3)CCN2C1=O ZINC000575763590 335113366 /nfs/dbraw/zinc/11/33/66/335113366.db2.gz WPBWWIUHKSVPOJ-GRYCIOLGSA-N 2 0 296.371 -1.475 20 0 CAADRP O=C(C[NH2+]C[C@H]1CCCO1)NC[C@@H]1C[NH2+]CCO1 ZINC000516760863 333081947 /nfs/dbraw/zinc/08/19/47/333081947.db2.gz AVHUUPJBKYOCBQ-MNOVXSKESA-N 2 0 257.334 -1.140 20 0 CAADRP O=C(C[NH2+]C[C@@H]1CCCO1)NC[C@@H]1C[NH2+]CCO1 ZINC000516760864 333082009 /nfs/dbraw/zinc/08/20/09/333082009.db2.gz AVHUUPJBKYOCBQ-QWRGUYRKSA-N 2 0 257.334 -1.140 20 0 CAADRP [NH3+]CC(=O)NCC(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000576157802 335161994 /nfs/dbraw/zinc/16/19/94/335161994.db2.gz QSFTYZHKRZXMJB-SNVBAGLBSA-N 2 0 250.302 -1.123 20 0 CAADRP C[C@@H](C[NH+](C)C)NC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000576174001 335165253 /nfs/dbraw/zinc/16/52/53/335165253.db2.gz PBUKCBPYVCCUDX-AXFHLTTASA-N 2 0 283.376 -1.110 20 0 CAADRP C[C@@H](C[NH+](C)C)NC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000576174002 335165289 /nfs/dbraw/zinc/16/52/89/335165289.db2.gz PBUKCBPYVCCUDX-DCAQKATOSA-N 2 0 283.376 -1.110 20 0 CAADRP CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)NC1C[NH2+]C1 ZINC000564310517 334051762 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O=C(CNC(=O)[C@@H]1CCC[NH2+]1)N[C@H]1CCC[NH2+]C1 ZINC000564949657 334529896 /nfs/dbraw/zinc/52/98/96/334529896.db2.gz FNSUKRHEEMZVRO-UWVGGRQHSA-N 2 0 254.334 -1.277 20 0 CAADRP O=C(CNC(=O)[C@H]1CCC[NH2+]1)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000564957538 334530306 /nfs/dbraw/zinc/53/03/06/334530306.db2.gz NZPBUHJJZXWZEQ-LOKLDPHHSA-N 2 0 252.318 -1.811 20 0 CAADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000565251431 334548027 /nfs/dbraw/zinc/54/80/27/334548027.db2.gz VXPPNMWHOUDIDB-WYUUTHIRSA-N 2 0 295.387 -1.062 20 0 CAADRP C[NH2+]C[C@H](C)CNC(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000565832341 334601152 /nfs/dbraw/zinc/60/11/52/334601152.db2.gz SQLFJWFVXCGEEK-UWVGGRQHSA-N 2 0 256.350 -1.174 20 0 CAADRP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)NCCNc1cc[nH+]cc1 ZINC000566171438 334631342 /nfs/dbraw/zinc/63/13/42/334631342.db2.gz GPNQJPLOMROZPB-LBPRGKRZSA-N 2 0 291.355 -1.100 20 0 CAADRP CC1(C(=O)Nc2nc(N3CC[NH2+]CC3)n[nH]2)C[NH2+]C1 ZINC000566201009 334635440 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CC(C)([NH3+])C(=O)Nc1nc(N2CC[NH2+]CC2)n[nH]1 ZINC000567830572 334765688 /nfs/dbraw/zinc/76/56/88/334765688.db2.gz JLVJLUJCKQQDAQ-UHFFFAOYSA-N 2 0 253.310 -1.110 20 0 CAADRP CN1CC[NH2+]C[C@H]1CNC(=O)C[NH2+]C[C@@H]1CCCO1 ZINC000568620361 334832781 /nfs/dbraw/zinc/83/27/81/334832781.db2.gz YTGFEOKARUWISX-RYUDHWBXSA-N 2 0 270.377 -1.225 20 0 CAADRP O=C(COC1C[NH2+]C1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000568878208 334844646 /nfs/dbraw/zinc/84/46/46/334844646.db2.gz PBKZDSKZFVMTIQ-NSHDSACASA-N 2 0 268.361 -1.519 20 0 CAADRP CO[C@H](C[NH3+])CC(=O)N(C)CC(=O)N1CC[NH2+]CC1 ZINC000568875924 334844700 /nfs/dbraw/zinc/84/47/00/334844700.db2.gz QGHXLBKWIFYZJB-JTQLQIEISA-N 2 0 272.349 -1.760 20 0 CAADRP CC[NH+]1CCN(CC(=O)NC[C@H]2C[NH2+]CCO2)CC1 ZINC000572845557 334883716 /nfs/dbraw/zinc/88/37/16/334883716.db2.gz YEZDQHRJDLAGQM-GFCCVEGCSA-N 2 0 270.377 -1.272 20 0 CAADRP C[C@]1(C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)CCC[NH2+]1 ZINC000576598478 335225022 /nfs/dbraw/zinc/22/50/22/335225022.db2.gz NVQMTIJDNLTKMW-GBIKHYSHSA-N 2 0 266.345 -1.101 20 0 CAADRP C[C@H]1[C@@H]([NH3+])CCN1C(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000577279279 335334562 /nfs/dbraw/zinc/33/45/62/335334562.db2.gz INUNJYOWIRBMQL-GUBZILKMSA-N 2 0 254.334 -1.197 20 0 CAADRP C[C@@H]1CC[N@H+](C)CCN1C(=O)C(=O)NC1C[NH2+]C1 ZINC000577356741 335341926 /nfs/dbraw/zinc/34/19/26/335341926.db2.gz BRUAZBNQAPSAIE-SECBINFHSA-N 2 0 254.334 -1.373 20 0 CAADRP [NH3+]CC(=O)NCC(=O)N1CC2CCC1(C[NH3+])CC2 ZINC000577382878 335345905 /nfs/dbraw/zinc/34/59/05/335345905.db2.gz QXTCMUSBQLCMPB-UHFFFAOYSA-N 2 0 254.334 -1.209 20 0 CAADRP [NH3+][C@@H]1C[C@H]2CN(C(=O)[C@H]3CCC[NH2+]C3)CCN2C1=O ZINC000577628188 335382075 /nfs/dbraw/zinc/38/20/75/335382075.db2.gz UEEVRUMNNMPDBB-GARJFASQSA-N 2 0 266.345 -1.244 20 0 CAADRP CSCC[C@@H]([NH3+])C(=O)N(C)CC(=O)N1CC[NH2+]CC1 ZINC000578008413 335457679 /nfs/dbraw/zinc/45/76/79/335457679.db2.gz BCKDLJRIDPAWLU-SNVBAGLBSA-N 2 0 288.417 -1.043 20 0 CAADRP CC[C@@H]1[NH2+]CC[C@H]1C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000578131123 335511329 /nfs/dbraw/zinc/51/13/29/335511329.db2.gz DKSVPSIKRLUNLZ-MNOVXSKESA-N 2 0 268.361 -1.078 20 0 CAADRP O=C(CCOC1C[NH2+]C1)NC[C@@H]1C[NH2+]CCCO1 ZINC000578191961 335551271 /nfs/dbraw/zinc/55/12/71/335551271.db2.gz UDRAPROJTLBSRY-NSHDSACASA-N 2 0 257.334 -1.140 20 0 CAADRP O=C(CNC(=O)[C@H]1CCC[NH2+]1)NC[C@@H]1CCC[NH2+]C1 ZINC000578441981 335634631 /nfs/dbraw/zinc/63/46/31/335634631.db2.gz MRJYJIYWQKFBGC-GHMZBOCLSA-N 2 0 268.361 -1.030 20 0 CAADRP C[NH2+]C[C@H](C)CNC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000578454445 335637333 /nfs/dbraw/zinc/63/73/33/335637333.db2.gz ZHHONNRISCOPTN-HBNTYKKESA-N 2 0 283.376 -1.205 20 0 CAADRP O=C(C[C@@H]1COCC[NH2+]1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000579470569 335766372 /nfs/dbraw/zinc/76/63/72/335766372.db2.gz LVMYIICUSSJFAH-CHWSQXEVSA-N 2 0 282.388 -1.129 20 0 CAADRP [NH3+][C@H]1C[C@@H]2CN(C(=O)[C@@H]3CCCC[NH2+]3)CCN2C1=O ZINC000579496265 335774644 /nfs/dbraw/zinc/77/46/44/335774644.db2.gz BFMFYJPCOKPPMY-VWYCJHECSA-N 2 0 266.345 -1.101 20 0 CAADRP [NH3+][C@@H]1C[C@H]2CN(C(=O)[C@@H]3CCCC[NH2+]3)CCN2C1=O ZINC000579496262 335774657 /nfs/dbraw/zinc/77/46/57/335774657.db2.gz BFMFYJPCOKPPMY-AXFHLTTASA-N 2 0 266.345 -1.101 20 0 CAADRP [NH3+][C@@H]1C[C@@H]2CN(C(=O)NCC3([NH3+])CCC3)CCN2C1=O ZINC000581322008 336048958 /nfs/dbraw/zinc/04/89/58/336048958.db2.gz GOAPEPQRZJRSDL-NXEZZACHSA-N 2 0 281.360 -1.179 20 0 CAADRP [NH3+][C@@H]1C[C@H]2CN(C(=O)NCC3([NH3+])CCC3)CCN2C1=O ZINC000581322010 336048977 /nfs/dbraw/zinc/04/89/77/336048977.db2.gz GOAPEPQRZJRSDL-VHSXEESVSA-N 2 0 281.360 -1.179 20 0 CAADRP [NH3+][C@H]1C[C@@H]2CN(C(=O)N[C@@H]3CCC[NH2+]C3)CCN2C1=O ZINC000581381621 336066081 /nfs/dbraw/zinc/06/60/81/336066081.db2.gz PNYCJXONHWPSIF-MXWKQRLJSA-N 2 0 281.360 -1.308 20 0 CAADRP COC(=O)C[C@H]([NH3+])C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000581547066 336100010 /nfs/dbraw/zinc/10/00/10/336100010.db2.gz WVFGEBKKVGDBNF-BBBLOLIVSA-N 2 0 255.318 -1.055 20 0 CAADRP CC[NH+]1CCN(CC(=O)N2CCN(C)C[C@H]2C[NH3+])CC1 ZINC000581550616 336100910 /nfs/dbraw/zinc/10/09/10/336100910.db2.gz HRHZCRPTRONFHP-CYBMUJFWSA-N 2 0 283.420 -1.275 20 0 CAADRP O=C(C[C@H]1C[NH2+]CCO1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000581605878 336110938 /nfs/dbraw/zinc/11/09/38/336110938.db2.gz FAZHEPDREVDASZ-OLZOCXBDSA-N 2 0 282.388 -1.129 20 0 CAADRP C[C@@H]1CN(CCN(C)C(=O)CNC(=O)C[NH3+])C[C@H](C)O1 ZINC000581724860 336137816 /nfs/dbraw/zinc/13/78/16/336137816.db2.gz DKCQNXLMJLLKJC-PHIMTYICSA-N 2 0 286.376 -1.371 20 0 CAADRP CC(C)[C@@H]([NH3+])C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000581895857 336162407 /nfs/dbraw/zinc/16/24/07/336162407.db2.gz RIOYHDZNIDMRTB-IVZWLZJFSA-N 2 0 254.334 -1.260 20 0 CAADRP [NH3+][C@H](C(=O)NCC(=O)N1CC[NH2+]CC1)C1CCC1 ZINC000581942770 336173558 /nfs/dbraw/zinc/17/35/58/336173558.db2.gz SPODUJWOHPGQCB-NSHDSACASA-N 2 0 254.334 -1.338 20 0 CAADRP C[C@H]1CN(CCC(=O)N2CC[NH2+]CC2)CC(=O)N1 ZINC000386929887 336182459 /nfs/dbraw/zinc/18/24/59/336182459.db2.gz RDJOOTWZLAOQFE-JTQLQIEISA-N 2 0 254.334 -1.371 20 0 CAADRP C[NH+](C)CCC(=O)N1CCCO[C@@H](C[NH2+]CC(N)=O)C1 ZINC001201334911 782104628 /nfs/dbraw/zinc/10/46/28/782104628.db2.gz LDWNSHCDMPJBIO-NSHDSACASA-N 2 0 286.376 -1.370 20 0 CAADRP C[NH+](C)CCC(=O)N1CCCO[C@H](C[NH2+]CC(N)=O)C1 ZINC001201334905 782105671 /nfs/dbraw/zinc/10/56/71/782105671.db2.gz LDWNSHCDMPJBIO-LLVKDONJSA-N 2 0 286.376 -1.370 20 0 CAADRP NC(=O)C[NH2+]C[C@@H]1CN(C(=O)C[NH+]2CCCC2)CCCO1 ZINC001202050214 782110920 /nfs/dbraw/zinc/11/09/20/782110920.db2.gz UGSWWDPDUYZHHO-GFCCVEGCSA-N 2 0 298.387 -1.225 20 0 CAADRP C[C@@H]1CN(S(=O)(=O)N2CC[NH2+]CC2)[C@@H](C)C[NH2+]1 ZINC000923634634 782122186 /nfs/dbraw/zinc/12/21/86/782122186.db2.gz PWNVWQNDURASBJ-ZJUUUORDSA-N 2 0 262.379 -1.181 20 0 CAADRP [NH3+]C[C@@H]1CN(S(=O)(=O)N2CC[NH2+]CC2)CCO1 ZINC000923634059 782122332 /nfs/dbraw/zinc/12/23/32/782122332.db2.gz NEXDXLZDAALZKT-SECBINFHSA-N 2 0 264.351 -2.204 20 0 CAADRP CC1([NH3+])CCN(S(=O)(=O)N2CC[NH2+]CC2)CC1 ZINC000923634481 782123137 /nfs/dbraw/zinc/12/31/37/782123137.db2.gz OKCDEIMGWJQSQZ-UHFFFAOYSA-N 2 0 262.379 -1.050 20 0 CAADRP [NH3+][C@@H]1CC[C@@H]2CN(S(=O)(=O)N3CC[NH2+]CC3)C[C@@H]12 ZINC000923635616 782122763 /nfs/dbraw/zinc/12/27/63/782122763.db2.gz OIOBDEKXJQETDW-GMTAPVOTSA-N 2 0 274.390 -1.195 20 0 CAADRP CC[C@H](C(=O)NC/C=C\C[NH2+]CC(=O)NC(N)=O)[NH+](C)C ZINC001274124917 782137170 /nfs/dbraw/zinc/13/71/70/782137170.db2.gz LCGPYWGNMILARN-WWQCOOJYSA-N 2 0 299.375 -1.217 20 0 CAADRP C[C@@H]([NH3+])CN(C)S(=O)(=O)C[C@@H]1C[NH2+]CCO1 ZINC000866782023 582254347 /nfs/dbraw/zinc/25/43/47/582254347.db2.gz ZNXQXMLKXPMNAH-BDAKNGLRSA-N 2 0 251.352 -1.416 20 0 CAADRP CC1(C)CC[C@@H](CNC(=O)CNC(=O)C[NH3+])[NH2+]C1 ZINC000877153452 582264540 /nfs/dbraw/zinc/26/45/40/582264540.db2.gz VZDDSRNYFUJUIR-VIFPVBQESA-N 2 0 256.350 -1.044 20 0 CAADRP C[C@H]1CN(C(=O)C(=O)NCCOCC[NH+](C)C)CC[NH2+]1 ZINC000419775608 533813519 /nfs/dbraw/zinc/81/35/19/533813519.db2.gz KXDYFKOOABHAGL-NSHDSACASA-N 2 0 286.376 -1.499 20 0 CAADRP COC(=O)N1CC([NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)C1 ZINC000496700452 533931115 /nfs/dbraw/zinc/93/11/15/533931115.db2.gz QVNQUNIKSOURMK-GFCCVEGCSA-N 2 0 286.376 -1.365 20 0 CAADRP C[C@@H](CNC(=O)[C@@H]1C[NH2+]CCO1)C[NH+]1CCN(C)CC1 ZINC000431012289 534013105 /nfs/dbraw/zinc/01/31/05/534013105.db2.gz ABFJCIIYIHKION-STQMWFEESA-N 2 0 284.404 -1.026 20 0 CAADRP C[C@@H](CNC(=O)[C@H]1C[NH2+]CCO1)C[NH+]1CCN(C)CC1 ZINC000431012288 534025091 /nfs/dbraw/zinc/02/50/91/534025091.db2.gz ABFJCIIYIHKION-QWHCGFSZSA-N 2 0 284.404 -1.026 20 0 CAADRP 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 534241184 /nfs/dbraw/zinc/24/11/84/534241184.db2.gz FYLQHDDAPBODJL-RHYQMDGZSA-N 2 0 298.387 -1.624 20 0 CAADRP C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CC[N@H+](C)[C@@H]3C2)CC[NH2+]1 ZINC000423693634 534290177 /nfs/dbraw/zinc/29/01/77/534290177.db2.gz FCOXBFKXYGNWAI-GRYCIOLGSA-N 2 0 280.372 -1.031 20 0 CAADRP C[C@@H]1CN(C(=O)C(=O)NCCOCC[NH+](C)C)CC[NH2+]1 ZINC000419775605 534292526 /nfs/dbraw/zinc/29/25/26/534292526.db2.gz KXDYFKOOABHAGL-LLVKDONJSA-N 2 0 286.376 -1.499 20 0 CAADRP NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)C[C@@H]1C[NH2+]CCO1 ZINC000430900292 534454356 /nfs/dbraw/zinc/45/43/56/534454356.db2.gz PGUWBFPIHDYCCH-VXGBXAGGSA-N 2 0 298.387 -1.179 20 0 CAADRP NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)[C@H]1C[C@H]1[NH3+] ZINC000424152677 534455240 /nfs/dbraw/zinc/45/52/40/534455240.db2.gz IUBSXTBMVPRTQI-IVZWLZJFSA-N 2 0 254.334 -1.210 20 0 CAADRP C[C@@H]1C[NH+](CCCNC(=O)CNC(=O)C[NH3+])C[C@@H](C)O1 ZINC000262184245 534465230 /nfs/dbraw/zinc/46/52/30/534465230.db2.gz GWTZMMDQIRQENM-GHMZBOCLSA-N 2 0 286.376 -1.323 20 0 CAADRP O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)[C@@H]1C[NH2+]CCO1 ZINC000091668000 534601259 /nfs/dbraw/zinc/60/12/59/534601259.db2.gz ZYIVUGIDTLTXGV-UTUOFQBUSA-N 2 0 269.345 -1.046 20 0 CAADRP O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)[C@H]1C[NH2+]CCO1 ZINC000252566933 534602734 /nfs/dbraw/zinc/60/27/34/534602734.db2.gz ZYIVUGIDTLTXGV-QJPTWQEYSA-N 2 0 269.345 -1.046 20 0 CAADRP C[NH2+]CCNC(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000237066581 522008740 /nfs/dbraw/zinc/00/87/40/522008740.db2.gz NJMKQAFPIYKERU-JTQLQIEISA-N 2 0 256.350 -1.268 20 0 CAADRP C[C@@H](C(=O)NC(N)=O)[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000221175372 524156918 /nfs/dbraw/zinc/15/69/18/524156918.db2.gz FHEPOWHMIPZKDY-DTWKUNHWSA-N 2 0 285.348 -1.643 20 0 CAADRP CCO[C@@H](CC[NH+](C)C)CNC(=O)CNC(=O)C[NH3+] ZINC000347649681 527714912 /nfs/dbraw/zinc/71/49/12/527714912.db2.gz IMIDRVNIMZGVLB-JTQLQIEISA-N 2 0 274.365 -1.466 20 0 CAADRP CC[NH+](CC)CCNC(=O)C(=O)N1CC[NH2+]CC1 ZINC000170319303 528127603 /nfs/dbraw/zinc/12/76/03/528127603.db2.gz RKWIGCTWMVSVPH-UHFFFAOYSA-N 2 0 256.350 -1.124 20 0 CAADRP CC[NH+]1CCN(CC(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000495112692 529138728 /nfs/dbraw/zinc/13/87/28/529138728.db2.gz SIFACKIJESXQOZ-PJXYFTJBSA-N 2 0 252.362 -1.042 20 0 CAADRP CC[NH+]1CCN(CCNC(=O)[C@@H]2C[NH2+]CCO2)CC1 ZINC000446375812 529145743 /nfs/dbraw/zinc/14/57/43/529145743.db2.gz DIWDTJYFFKQANR-LBPRGKRZSA-N 2 0 270.377 -1.272 20 0 CAADRP O=C(NC[C@@H]1C[N@@H+]2CCN1CCC2)[C@@H]1C[NH2+]CCO1 ZINC000394388938 545498317 /nfs/dbraw/zinc/49/83/17/545498317.db2.gz NRHBYZPUXJONOH-NEPJUHHUSA-N 2 0 268.361 -1.519 20 0 CAADRP O=C(C[C@H]1C[NH2+]CCO1)NC[C@H]1C[N@@H+]2CCN1CCC2 ZINC000394384412 545498372 /nfs/dbraw/zinc/49/83/72/545498372.db2.gz JFEZCQBGOIUGMG-STQMWFEESA-N 2 0 282.388 -1.129 20 0 CAADRP O=C(C[C@@H]1C[NH2+]CCO1)NC[C@H]1C[N@@H+]2CCN1CCC2 ZINC000394384411 545498426 /nfs/dbraw/zinc/49/84/26/545498426.db2.gz JFEZCQBGOIUGMG-QWHCGFSZSA-N 2 0 282.388 -1.129 20 0 CAADRP COCC[NH2+]CC(=O)NC[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000394371542 545498179 /nfs/dbraw/zinc/49/81/79/545498179.db2.gz DXGLOZJPNDWCPD-GFCCVEGCSA-N 2 0 270.377 -1.272 20 0 CAADRP O=C(C[C@H]1COCC[NH2+]1)NC[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000394391813 545498675 /nfs/dbraw/zinc/49/86/75/545498675.db2.gz MBUNFQDMCVQUFD-QWHCGFSZSA-N 2 0 282.388 -1.129 20 0 CAADRP CCO[C@@H]1CN(C(=O)[C@H]2C[NH2+]CCO2)C[C@H]1C[NH3+] ZINC000653243515 545503076 /nfs/dbraw/zinc/50/30/76/545503076.db2.gz FRLTWBZSNNAFBP-GMTAPVOTSA-N 2 0 257.334 -1.203 20 0 CAADRP CCO[C@@H]1CN(C(=O)CNC(=O)[C@H]2CCC[NH2+]2)C[C@H]1C[NH3+] ZINC000653247868 545504055 /nfs/dbraw/zinc/50/40/55/545504055.db2.gz VXCHEZLBRMYCBT-IJLUTSLNSA-N 2 0 298.387 -1.323 20 0 CAADRP O=C(CNC(=O)[C@H]1C[C@@]12CCC[NH2+]C2)N1CC[NH2+]CC1 ZINC000655415065 545504707 /nfs/dbraw/zinc/50/47/07/545504707.db2.gz UYQBACFGEXUYGS-BXUZGUMPSA-N 2 0 280.372 -1.076 20 0 CAADRP CC1(OCC(=O)N2CCCO[C@@H](C[NH3+])C2)C[NH2+]C1 ZINC000648177619 545505966 /nfs/dbraw/zinc/50/59/66/545505966.db2.gz JZQSSWOCYZBPCO-JTQLQIEISA-N 2 0 257.334 -1.059 20 0 CAADRP C[N@@H+]1CCC[C@@H](NC(=O)C(=O)NC[C@H]2COCC[NH2+]2)C1 ZINC000627476001 545526478 /nfs/dbraw/zinc/52/64/78/545526478.db2.gz YEDAKIGTAUBQFA-MNOVXSKESA-N 2 0 284.360 -1.699 20 0 CAADRP C[N@@H+]1CCC[C@H]1CC[NH+]1C[C@H](C(N)=O)[C@H](C(N)=O)C1 ZINC000639843807 545540727 /nfs/dbraw/zinc/54/07/27/545540727.db2.gz GYORPHAOXAXZDT-GARJFASQSA-N 2 0 268.361 -1.011 20 0 CAADRP [NH3+]C[C@H]1CN(C(=O)CN2CCCC[C@H]([NH3+])C2=O)CCO1 ZINC000648110778 545540878 /nfs/dbraw/zinc/54/08/78/545540878.db2.gz NVHYGPRHUCFYFN-QWRGUYRKSA-N 2 0 284.360 -1.488 20 0 CAADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1C[C@H](C(N)=O)[C@@H](C(N)=O)C1 ZINC000639843813 545541076 /nfs/dbraw/zinc/54/10/76/545541076.db2.gz GYORPHAOXAXZDT-VWYCJHECSA-N 2 0 268.361 -1.011 20 0 CAADRP C[NH+](C)CCOCCNC(=O)CN1CC[NH2+]CC1 ZINC000234261444 545541529 /nfs/dbraw/zinc/54/15/29/545541529.db2.gz GZQSACSQYBPBEB-UHFFFAOYSA-N 2 0 258.366 -1.414 20 0 CAADRP [NH3+]CC(=O)NCC(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000645953138 545554796 /nfs/dbraw/zinc/55/47/96/545554796.db2.gz DINQYBTVLUYDIR-SNVBAGLBSA-N 2 0 254.334 -1.338 20 0 CAADRP [NH3+]CCOCC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000645929058 545552467 /nfs/dbraw/zinc/55/24/67/545552467.db2.gz JJGUXHHQUXVORL-UHFFFAOYSA-N 2 0 298.387 -1.272 20 0 CAADRP OCC[N@H+](CCN1CC[NH2+]CC1)CCN1CCOCC1 ZINC000649411779 545562960 /nfs/dbraw/zinc/56/29/60/545562960.db2.gz BATOHDWPNSDDGE-UHFFFAOYSA-N 2 0 286.420 -1.482 20 0 CAADRP CN(C(=O)CNC(=O)C[NH3+])[C@@H]1C[NH+]2CCC1CC2 ZINC000381158913 545563138 /nfs/dbraw/zinc/56/31/38/545563138.db2.gz FQGVNOQJLIPGBN-SNVBAGLBSA-N 2 0 254.334 -1.386 20 0 CAADRP COCC[NH+]1CCC(NC(=O)C2(O)C[NH2+]C2)CC1 ZINC000662690986 545576691 /nfs/dbraw/zinc/57/66/91/545576691.db2.gz FGEBFUMYUUPAGA-UHFFFAOYSA-N 2 0 257.334 -1.452 20 0 CAADRP O=C(C[NH+]1CCCC1)N1CCN(C(=O)C2(O)C[NH2+]C2)CC1 ZINC000662716506 545577990 /nfs/dbraw/zinc/57/79/90/545577990.db2.gz UFZOHYDAFNAOOS-UHFFFAOYSA-N 2 0 296.371 -1.913 20 0 CAADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)C1(O)C[NH2+]C1 ZINC000662710241 545578029 /nfs/dbraw/zinc/57/80/29/545578029.db2.gz GEVFMNZTVHPZGJ-JTQLQIEISA-N 2 0 257.334 -1.452 20 0 CAADRP C[NH+]1CCC(N2CC[C@H](NC(=O)C3(O)C[NH2+]C3)C2)CC1 ZINC000662735254 545579366 /nfs/dbraw/zinc/57/93/66/545579366.db2.gz MPUVEFQCEXARMV-NSHDSACASA-N 2 0 282.388 -1.395 20 0 CAADRP C[NH+]1CCC(N2CC[C@@H](NC(=O)C3(O)C[NH2+]C3)C2)CC1 ZINC000662735228 545580037 /nfs/dbraw/zinc/58/00/37/545580037.db2.gz MPUVEFQCEXARMV-LLVKDONJSA-N 2 0 282.388 -1.395 20 0 CAADRP C[NH+](C)C1(CNC(=O)C2(O)C[NH2+]C2)CCOCC1 ZINC000662729731 545580233 /nfs/dbraw/zinc/58/02/33/545580233.db2.gz VDBXOXCBTZXEPE-UHFFFAOYSA-N 2 0 257.334 -1.452 20 0 CAADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)NCC12CC(C1)C[NH2+]2 ZINC000662922900 545580987 /nfs/dbraw/zinc/58/09/87/545580987.db2.gz NMLMVXPDJLQVOK-QDYJBQRPSA-N 2 0 268.361 -1.046 20 0 CAADRP CN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000662921001 545581104 /nfs/dbraw/zinc/58/11/04/545581104.db2.gz CJVMXMZETDJILO-NXEZZACHSA-N 2 0 274.340 -1.096 20 0 CAADRP O=C(NC[C@@H]1C[N@@H+]2CCN1CCC2)[C@]12C[NH2+]C[C@H]1COC2 ZINC000662909254 545581199 /nfs/dbraw/zinc/58/11/99/545581199.db2.gz YWBYPGXTNKTGEK-GUTXKFCHSA-N 2 0 294.399 -1.272 20 0 CAADRP CNC(=O)C[NH2+]C[C@H](C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001275445987 782171099 /nfs/dbraw/zinc/17/10/99/782171099.db2.gz UXVJOZMULIZGFC-UWVGGRQHSA-N 2 0 256.350 -1.222 20 0 CAADRP CNC(=O)C[NH2+]C[C@H](C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001275445990 782171445 /nfs/dbraw/zinc/17/14/45/782171445.db2.gz UXVJOZMULIZGFC-VHSXEESVSA-N 2 0 256.350 -1.222 20 0 CAADRP CC[NH+](CC)CCNC(=O)C(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000642801231 582109784 /nfs/dbraw/zinc/10/97/84/582109784.db2.gz JWPCAUZRPUYYOF-GFCCVEGCSA-N 2 0 299.419 -1.454 20 0 CAADRP COCC[N@H+](C)CCNC(=O)CNC(=O)[C@@H]([NH3+])C(C)C ZINC000126315462 582110216 /nfs/dbraw/zinc/11/02/16/582110216.db2.gz UGGUNPOCRIXKME-LBPRGKRZSA-N 2 0 288.392 -1.220 20 0 CAADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000891539726 582110239 /nfs/dbraw/zinc/11/02/39/582110239.db2.gz DKGRQGIKQHDIAH-SDDRHHMPSA-N 2 0 267.377 -1.012 20 0 CAADRP [NH3+]C[C@@H]1CCCCN1C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000891969868 582110530 /nfs/dbraw/zinc/11/05/30/582110530.db2.gz BVMVYYGERQKOTF-NSHDSACASA-N 2 0 283.376 -1.059 20 0 CAADRP [NH3+][C@@H]1CCC[C@@H](NC(=O)NCC(=O)N2CC[NH2+]CC2)C1 ZINC000891970359 582110560 /nfs/dbraw/zinc/11/05/60/582110560.db2.gz FUOGGDSDPYKSNR-GHMZBOCLSA-N 2 0 283.376 -1.013 20 0 CAADRP O=C(CNC(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2)N1CC[NH2+]CC1 ZINC000891970555 582110563 /nfs/dbraw/zinc/11/05/63/582110563.db2.gz MCSRGWPKWYEYHH-PHIMTYICSA-N 2 0 281.360 -1.436 20 0 CAADRP O=C(CNC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)N1CC[NH2+]CC1 ZINC000891970148 582110566 /nfs/dbraw/zinc/11/05/66/582110566.db2.gz HSZXWWCTVMXAKB-UWVGGRQHSA-N 2 0 267.333 -1.826 20 0 CAADRP C[C@H]1C[C@@H]([NH3+])CN1C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000891970194 582110578 /nfs/dbraw/zinc/11/05/78/582110578.db2.gz IUPHDLPETFHDKN-VHSXEESVSA-N 2 0 269.349 -1.451 20 0 CAADRP C[C@H]1C[C@H]([NH3+])CN1C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000891970193 582110581 /nfs/dbraw/zinc/11/05/81/582110581.db2.gz IUPHDLPETFHDKN-UWVGGRQHSA-N 2 0 269.349 -1.451 20 0 CAADRP O=C(NCCN1CC[NH2+]CC1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000891973335 582110686 /nfs/dbraw/zinc/11/06/86/582110686.db2.gz RUHCDXOQGKKXLB-QWRGUYRKSA-N 2 0 253.350 -1.353 20 0 CAADRP [NH3+]C[C@H]1CCCN1C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000891972266 582110708 /nfs/dbraw/zinc/11/07/08/582110708.db2.gz ZBGCVCLEMFJSJD-SNVBAGLBSA-N 2 0 269.349 -1.449 20 0 CAADRP O=C(NCC[N@H+]1CC[C@@H](O)C1)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000899145520 582120388 /nfs/dbraw/zinc/12/03/88/582120388.db2.gz LORCZFAHLCUCPI-CHWSQXEVSA-N 2 0 283.372 -1.110 20 0 CAADRP C[C@@H](C[NH+]1CCOCC1)C(=O)NCC[N@H+](C)CCO ZINC000899736464 582122257 /nfs/dbraw/zinc/12/22/57/582122257.db2.gz GJJSDXGSRPRYFL-LBPRGKRZSA-N 2 0 273.377 -1.005 20 0 CAADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)c1cn(CC[NH3+])nn1 ZINC000659306586 582123239 /nfs/dbraw/zinc/12/32/39/582123239.db2.gz DYLQPWUQVPLXPN-RKDXNWHRSA-N 2 0 252.322 -1.035 20 0 CAADRP C[C@H]1CC[NH2+]C[C@H]1NC(=O)c1cn(CC[NH3+])nn1 ZINC000659306584 582123250 /nfs/dbraw/zinc/12/32/50/582123250.db2.gz DYLQPWUQVPLXPN-DTWKUNHWSA-N 2 0 252.322 -1.035 20 0 CAADRP COC[C@@]1(C(=O)N[C@@H]2CCC[NH2+]C2)C[NH2+]CCO1 ZINC000876507579 582123331 /nfs/dbraw/zinc/12/33/31/582123331.db2.gz KKMXYYGUKTYSDG-ZYHUDNBSSA-N 2 0 257.334 -1.140 20 0 CAADRP COC[C@@]1(C(=O)N2CCO[C@H](C[NH3+])C2)C[NH2+]CCO1 ZINC000876807746 582123339 /nfs/dbraw/zinc/12/33/39/582123339.db2.gz JOCKTUQDPWCRSW-ZYHUDNBSSA-N 2 0 273.333 -1.823 20 0 CAADRP COC[C@]1(C(=O)N2CCC[C@@H]([NH3+])C2)C[NH2+]CCO1 ZINC000876500267 582123351 /nfs/dbraw/zinc/12/33/51/582123351.db2.gz GPNIKJRYTMWDLG-PWSUYJOCSA-N 2 0 257.334 -1.059 20 0 CAADRP [NH3+]CC(=O)NCC(=O)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000649321048 582126032 /nfs/dbraw/zinc/12/60/32/582126032.db2.gz JOGTUFOTXPWJRL-WDEREUQCSA-N 2 0 284.360 -1.881 20 0 CAADRP C[NH+]1CCC(C[N@@H+]2CCN3C(=O)C(=O)NC[C@H]3C2)CC1 ZINC000788488869 582162088 /nfs/dbraw/zinc/16/20/88/582162088.db2.gz SVRROZAIZKITPY-LBPRGKRZSA-N 2 0 280.372 -1.029 20 0 CAADRP O=C(CNC(=O)[C@@]1(F)CC[NH2+]C1)N1CC[NH2+]CC1 ZINC000832410238 582204499 /nfs/dbraw/zinc/20/44/99/582204499.db2.gz SXDGIYBSHLIYES-LLVKDONJSA-N 2 0 258.297 -1.764 20 0 CAADRP O=C(Nc1nc(N2CC[NH2+]CC2)n[nH]1)[C@]1(F)CC[NH2+]C1 ZINC000832814766 582205232 /nfs/dbraw/zinc/20/52/32/582205232.db2.gz IXFMBWDQCWWAKU-NSHDSACASA-N 2 0 283.311 -1.146 20 0 CAADRP O=C(Nc1nc(N2CC[NH2+]CC2)n[nH]1)[C@@]1(F)CC[NH2+]C1 ZINC000832814765 582205286 /nfs/dbraw/zinc/20/52/86/582205286.db2.gz IXFMBWDQCWWAKU-LLVKDONJSA-N 2 0 283.311 -1.146 20 0 CAADRP O=C(NC[C@H]1C[NH2+]CCO1)c1[nH]nc2c1C[NH2+]CC2 ZINC000842511869 582212913 /nfs/dbraw/zinc/21/29/13/582212913.db2.gz ZPHJIWBYVAPFDY-MRVPVSSYSA-N 2 0 265.317 -1.226 20 0 CAADRP O=C(CO[C@H]1CCC[NH2+]C1)NCC(=O)N1CC[NH2+]CC1 ZINC000843316594 582213752 /nfs/dbraw/zinc/21/37/52/582213752.db2.gz WDTGAIVCPCMZKF-NSHDSACASA-N 2 0 284.360 -1.697 20 0 CAADRP CC[NH2+]CC(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000843325432 582213822 /nfs/dbraw/zinc/21/38/22/582213822.db2.gz NVOONBXSQDVOOW-JTQLQIEISA-N 2 0 256.350 -1.091 20 0 CAADRP [NH3+]C[C@H]1CN(C(=O)CO[C@H]2CCC[NH2+]C2)CCO1 ZINC000843463117 582214618 /nfs/dbraw/zinc/21/46/18/582214618.db2.gz ZCWSDXDBVIEXPW-QWRGUYRKSA-N 2 0 257.334 -1.059 20 0 CAADRP O=C(CO[C@@H]1CCC[NH2+]C1)NC[C@H]1C[NH2+]CCO1 ZINC000843497160 582214981 /nfs/dbraw/zinc/21/49/81/582214981.db2.gz FTBGFOZANAJDPE-GHMZBOCLSA-N 2 0 257.334 -1.140 20 0 CAADRP C[N@@H+]1CC[C@](O)(CNC(=[NH2+])NCCCN2CCOCC2)C1 ZINC000849019237 582227354 /nfs/dbraw/zinc/22/73/54/582227354.db2.gz VJJLXYBEJZIURK-AWEZNQCLSA-N 2 0 299.419 -1.111 20 0 CAADRP CN(CCC[NH3+])C(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000851685014 582229142 /nfs/dbraw/zinc/22/91/42/582229142.db2.gz OMSUAPGYZFWCNG-VXGBXAGGSA-N 2 0 298.387 -1.227 20 0 CAADRP O=C(NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)C(=O)N[C@H]1CC[NH2+]C1 ZINC000851686000 582229188 /nfs/dbraw/zinc/22/91/88/582229188.db2.gz YIPVSKUINVKVRN-SRVKXCTJSA-N 2 0 296.371 -1.556 20 0 CAADRP [NH3+]C[C@H]1CC(C(=O)NCCCN2CC[NH2+]CC2)=NO1 ZINC000852789672 582230596 /nfs/dbraw/zinc/23/05/96/582230596.db2.gz KRSVOBYENCYTMB-SNVBAGLBSA-N 2 0 269.349 -1.499 20 0 CAADRP CN1CCN(C(=O)C2=NO[C@H](C[NH3+])C2)[C@H](C[NH3+])C1 ZINC000852800027 582230617 /nfs/dbraw/zinc/23/06/17/582230617.db2.gz YLOWLKZWJKVIDD-BDAKNGLRSA-N 3 0 255.322 -1.809 20 0 CAADRP C[C@H]([NH3+])[C@H]1CN(C(=O)C2=NO[C@@H](C[NH3+])C2)CCO1 ZINC000852800943 582230749 /nfs/dbraw/zinc/23/07/49/582230749.db2.gz UVKDTHXHHXPXMB-QXFUBDJGSA-N 2 0 256.306 -1.335 20 0 CAADRP CN1CCN(C(=O)C2=NO[C@H](C[NH3+])C2)[C@@H](C[NH3+])C1 ZINC000852800035 582230766 /nfs/dbraw/zinc/23/07/66/582230766.db2.gz YLOWLKZWJKVIDD-IUCAKERBSA-N 2 0 255.322 -1.809 20 0 CAADRP CN1CCN(C(=O)C2=NO[C@@H](C[NH3+])C2)[C@@H](C[NH3+])C1 ZINC000852800033 582230792 /nfs/dbraw/zinc/23/07/92/582230792.db2.gz YLOWLKZWJKVIDD-DTWKUNHWSA-N 2 0 255.322 -1.809 20 0 CAADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)C2=NO[C@@H](C[NH3+])C2)CCO1 ZINC000852800945 582230815 /nfs/dbraw/zinc/23/08/15/582230815.db2.gz UVKDTHXHHXPXMB-XKSSXDPKSA-N 2 0 256.306 -1.335 20 0 CAADRP CN1CCN(C(=O)C2=NO[C@@H](C[NH3+])C2)[C@H](C[NH3+])C1 ZINC000852800038 582230819 /nfs/dbraw/zinc/23/08/19/582230819.db2.gz YLOWLKZWJKVIDD-RKDXNWHRSA-N 2 0 255.322 -1.809 20 0 CAADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)C2=NO[C@H](C[NH3+])C2)CCO1 ZINC000852800940 582230909 /nfs/dbraw/zinc/23/09/09/582230909.db2.gz UVKDTHXHHXPXMB-NRPADANISA-N 2 0 256.306 -1.335 20 0 CAADRP O=C(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)C1(O)C[NH2+]C1 ZINC000852863656 582231581 /nfs/dbraw/zinc/23/15/81/582231581.db2.gz HVKCWANUUIIPAC-ZJUUUORDSA-N 2 0 255.318 -1.700 20 0 CAADRP COCC[N@H+](C)CCNC(=O)C1=NO[C@H](C[NH3+])C1 ZINC000852863464 582231630 /nfs/dbraw/zinc/23/16/30/582231630.db2.gz GDRYNLGGVSUIGH-VIFPVBQESA-N 2 0 258.322 -1.216 20 0 CAADRP COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)C1=NO[C@H](C[NH3+])C1 ZINC000852879860 582231698 /nfs/dbraw/zinc/23/16/98/582231698.db2.gz HJXBSBDVRXJYQJ-WPRPVWTQSA-N 2 0 284.316 -1.547 20 0 CAADRP COC[C@@]1(CNC(=O)C2=NO[C@@H](C[NH3+])C2)CCC[NH2+]1 ZINC000852879401 582231793 /nfs/dbraw/zinc/23/17/93/582231793.db2.gz DUGQJHMNCCPTJV-SKDRFNHKSA-N 2 0 270.333 -1.025 20 0 CAADRP [NH3+]C[C@@H]1CC(C(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)=NO1 ZINC000852881614 582231797 /nfs/dbraw/zinc/23/17/97/582231797.db2.gz YMTORSFXQSMKRF-QWRGUYRKSA-N 2 0 281.360 -1.404 20 0 CAADRP COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)C1=NO[C@@H](C[NH3+])C1 ZINC000852879856 582231837 /nfs/dbraw/zinc/23/18/37/582231837.db2.gz HJXBSBDVRXJYQJ-SCZZXKLOSA-N 2 0 284.316 -1.547 20 0 CAADRP [NH3+]C[C@@H]1CC(C(=O)NCC[N@@H+]2CCCOCC2)=NO1 ZINC000852886586 582231994 /nfs/dbraw/zinc/23/19/94/582231994.db2.gz PXUIBMHKVQPWCP-JTQLQIEISA-N 2 0 270.333 -1.072 20 0 CAADRP [NH3+]C[C@H]1CC(C(=O)NC[C@@H]2C[N@@H+]3CCN2CCC3)=NO1 ZINC000852914628 582232403 /nfs/dbraw/zinc/23/24/03/582232403.db2.gz ZMWJVYXKRSOAPS-GHMZBOCLSA-N 2 0 281.360 -1.404 20 0 CAADRP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)C1=NO[C@@H](C[NH3+])C1 ZINC000852908024 582232526 /nfs/dbraw/zinc/23/25/26/582232526.db2.gz REFMLJWXTFITBX-SNVBAGLBSA-N 2 0 299.375 -1.432 20 0 CAADRP [NH3+]C[C@H]1CC(C(=O)NC[C@H]2C[N@@H+]3CCN2CCC3)=NO1 ZINC000852914632 582232747 /nfs/dbraw/zinc/23/27/47/582232747.db2.gz ZMWJVYXKRSOAPS-WDEREUQCSA-N 2 0 281.360 -1.404 20 0 CAADRP C[C@@H]([NH3+])CN(C)C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000861639187 582244338 /nfs/dbraw/zinc/24/43/38/582244338.db2.gz JARMIGDNZDYYFT-SECBINFHSA-N 2 0 257.338 -1.593 20 0 CAADRP CCN(CC[NH3+])C(=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000861755036 582244872 /nfs/dbraw/zinc/24/48/72/582244872.db2.gz LYWJHIUHNPYFHA-NEPJUHHUSA-N 2 0 298.387 -1.227 20 0 CAADRP COCC[N@H+](C)CCNC(=O)C(=O)N(C)C[C@H](C)[NH3+] ZINC000861755882 582245015 /nfs/dbraw/zinc/24/50/15/582245015.db2.gz VAFHKQDZZYIOED-JTQLQIEISA-N 2 0 274.365 -1.514 20 0 CAADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N(C)C[C@@H](C)[NH3+])C1 ZINC000861769174 582245020 /nfs/dbraw/zinc/24/50/20/582245020.db2.gz XBHBAFWEKYPDQV-GHMZBOCLSA-N 2 0 286.376 -1.371 20 0 CAADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N(C)C[C@H](C)[NH3+])C1 ZINC000861769177 582245044 /nfs/dbraw/zinc/24/50/44/582245044.db2.gz XBHBAFWEKYPDQV-WDEREUQCSA-N 2 0 286.376 -1.371 20 0 CAADRP COCC[N@H+](C)CCCNC(=O)C(=O)N(C)C[C@@H](C)[NH3+] ZINC000861765851 582245095 /nfs/dbraw/zinc/24/50/95/582245095.db2.gz ICSKHGSKBFABFD-LLVKDONJSA-N 2 0 288.392 -1.124 20 0 CAADRP COCCN(CC[NH+](C)C)C(=O)C(=O)N(C)C[C@@H](C)[NH3+] ZINC000863754938 582249769 /nfs/dbraw/zinc/24/97/69/582249769.db2.gz JVLPNGKHXJTHHH-LLVKDONJSA-N 2 0 288.392 -1.171 20 0 CAADRP C[C@H]([NH3+])CN(C)C(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000863769398 582250223 /nfs/dbraw/zinc/25/02/23/582250223.db2.gz LAYAHZSCRMTSIW-GARJFASQSA-N 2 0 284.360 -1.931 20 0 CAADRP C[C@@H]([NH3+])CN(C)C(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000863769399 582250235 /nfs/dbraw/zinc/25/02/35/582250235.db2.gz LAYAHZSCRMTSIW-OUAUKWLOSA-N 2 0 284.360 -1.931 20 0 CAADRP C[NH+](C)CCN1C(=O)C[C@@H]([N@@H+]2C[C@@H]3COC(=O)[C@@H]3C2)C1=O ZINC000864351562 582252336 /nfs/dbraw/zinc/25/23/36/582252336.db2.gz SRDIAZCVDAHGHH-GMTAPVOTSA-N 2 0 295.339 -1.220 20 0 CAADRP C[NH+](C)CCN1C(=O)C[C@H]([N@@H+]2C[C@@H]3COC(=O)[C@@H]3C2)C1=O ZINC000864351563 582252370 /nfs/dbraw/zinc/25/23/70/582252370.db2.gz SRDIAZCVDAHGHH-MXWKQRLJSA-N 2 0 295.339 -1.220 20 0 CAADRP C[NH+](C)CCNC(=O)C(F)(F)C(=O)NCC[NH+](C)C ZINC000865889966 582253201 /nfs/dbraw/zinc/25/32/01/582253201.db2.gz AIRACBVSFPYUJA-UHFFFAOYSA-N 2 0 280.319 -1.023 20 0 CAADRP C[NH2+]C[C@](C)(O)C[N@@H+]1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1 ZINC000866701653 582253826 /nfs/dbraw/zinc/25/38/26/582253826.db2.gz LVDNPESECWVCTP-SBMIAAHKSA-N 2 0 255.318 -1.497 20 0 CAADRP Cn1nnnc1CC[N@H+](C)CCN1CC[NH2+]CC1 ZINC000866659596 582253914 /nfs/dbraw/zinc/25/39/14/582253914.db2.gz OWDKHNDFMIKLPV-UHFFFAOYSA-N 2 0 253.354 -1.410 20 0 CAADRP [NH3+]CCOCC[N@@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866714205 582254118 /nfs/dbraw/zinc/25/41/18/582254118.db2.gz INNMYVREIRVLNF-TUAOUCFPSA-N 3 0 284.360 -1.171 20 0 CAADRP CN(C1CC([NH3+])C1)S(=O)(=O)C[C@H]1C[NH2+]CCO1 ZINC000866767104 582254139 /nfs/dbraw/zinc/25/41/39/582254139.db2.gz JPXHQDYWVQGADU-UDNWOFFPSA-N 2 0 263.363 -1.274 20 0 CAADRP C[C@@H]([NH3+])CN(C)S(=O)(=O)C[C@H]1C[NH2+]CCO1 ZINC000866782030 582254359 /nfs/dbraw/zinc/25/43/59/582254359.db2.gz ZNXQXMLKXPMNAH-RKDXNWHRSA-N 2 0 251.352 -1.416 20 0 CAADRP O=S(=O)(C[C@H]1C[NH2+]CCO1)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000866769378 582254371 /nfs/dbraw/zinc/25/43/71/582254371.db2.gz LPGVMBRBGVCBPH-QJPTWQEYSA-N 2 0 289.401 -1.012 20 0 CAADRP C[NH+](C)CC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000871000617 582257799 /nfs/dbraw/zinc/25/77/99/582257799.db2.gz LKXSXMGRESAHHJ-MXWKQRLJSA-N 2 0 282.344 -1.059 20 0 CAADRP C[C@]12C[NH2+]C[C@H]1CN(S(=O)(=O)C[C@H]1C[NH2+]CCO1)C2 ZINC000871815850 582258618 /nfs/dbraw/zinc/25/86/18/582258618.db2.gz WIUIPDVEJVXYOV-QJPTWQEYSA-N 2 0 289.401 -1.154 20 0 CAADRP C[C@@H]([NH2+]C[C@]12COCCN1C(=O)COC2)C1C[NH2+]C1 ZINC000873265816 582259735 /nfs/dbraw/zinc/25/97/35/582259735.db2.gz KFAYCQFVLZDEPY-ZWNOBZJWSA-N 2 0 269.345 -1.188 20 0 CAADRP C[NH2+][C@@H]1CCN(C(=O)[C@@]2(COC)C[NH2+]CCO2)C1 ZINC000876506769 582262442 /nfs/dbraw/zinc/26/24/42/582262442.db2.gz ZAAKJMVNBUANFN-PWSUYJOCSA-N 2 0 257.334 -1.188 20 0 CAADRP C[NH+](C)C[C@H](N)C(=O)NCCCN1CC[NH2+]CC1 ZINC000876502591 582262453 /nfs/dbraw/zinc/26/24/53/582262453.db2.gz FKHNIIBIPUTPKZ-NSHDSACASA-N 2 0 257.382 -1.713 20 0 CAADRP COC[C@@]1(C(=O)NCCN2CC[NH2+]CC2)C[NH2+]CCO1 ZINC000876510557 582262468 /nfs/dbraw/zinc/26/24/68/582262468.db2.gz NSKWHPDFUMSARV-CYBMUJFWSA-N 2 0 286.376 -1.987 20 0 CAADRP COC[C@]1(C(=O)N2CC[NH2+][C@@H](C)C2)C[NH2+]CCO1 ZINC000876531456 582262571 /nfs/dbraw/zinc/26/25/71/582262571.db2.gz GRNKIQUFMJBBCE-JQWIXIFHSA-N 2 0 257.334 -1.188 20 0 CAADRP COC[C@]1(C(=O)NC[C@@H]2CCC[NH2+]2)C[NH2+]CCO1 ZINC000876522566 582262581 /nfs/dbraw/zinc/26/25/81/582262581.db2.gz VRTYESJWGUSAQB-JQWIXIFHSA-N 2 0 257.334 -1.140 20 0 CAADRP CN(CC(=O)N1CC[NH2+]CC1)C(=O)[C@H](F)[C@@H]1CC[NH2+]C1 ZINC000876511702 582262629 /nfs/dbraw/zinc/26/26/29/582262629.db2.gz SLOMBYZJPSJHJO-ZYHUDNBSSA-N 2 0 286.351 -1.176 20 0 CAADRP COC[C@@]1(C(=O)NC[C@H]2CCC[NH2+]2)C[NH2+]CCO1 ZINC000876522568 582262662 /nfs/dbraw/zinc/26/26/62/582262662.db2.gz VRTYESJWGUSAQB-ZYHUDNBSSA-N 2 0 257.334 -1.140 20 0 CAADRP COC[C@@]1(C(=O)NC[C@H]([NH3+])C2CC2)C[NH2+]CCO1 ZINC000876791657 582263083 /nfs/dbraw/zinc/26/30/83/582263083.db2.gz OJYFJKHDZSDFHV-CMPLNLGQSA-N 2 0 257.334 -1.155 20 0 CAADRP COCC[N@@H+]1CC[C@H](NC(=O)[C@@H](N)C[NH+](C)C)C1 ZINC000876756584 582263093 /nfs/dbraw/zinc/26/30/93/582263093.db2.gz VQGGCBVXELCIOA-QWRGUYRKSA-N 2 0 258.366 -1.288 20 0 CAADRP C[NH+](C)C[C@H](N)C(=O)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000876753087 582263156 /nfs/dbraw/zinc/26/31/56/582263156.db2.gz IFKWVYZZDHSXST-XQQFMLRXSA-N 2 0 284.404 -1.067 20 0 CAADRP COC[C@@]1(C(=O)N2CCO[C@@H](C[NH3+])C2)C[NH2+]CCO1 ZINC000876807743 582263241 /nfs/dbraw/zinc/26/32/41/582263241.db2.gz JOCKTUQDPWCRSW-CMPLNLGQSA-N 2 0 273.333 -1.823 20 0 CAADRP COC[C@]1(C(=O)N2CCO[C@@H](C[NH3+])C2)C[NH2+]CCO1 ZINC000876807744 582263313 /nfs/dbraw/zinc/26/33/13/582263313.db2.gz JOCKTUQDPWCRSW-JQWIXIFHSA-N 2 0 273.333 -1.823 20 0 CAADRP COC[C@@]1(C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)C[NH2+]CCO1 ZINC000876837537 582263332 /nfs/dbraw/zinc/26/33/32/582263332.db2.gz JPDFLZKVMYZMRV-NTZNESFSSA-N 2 0 269.345 -1.331 20 0 CAADRP COC[C@]1(C(=O)N2CC[C@H]([NH3+])[C@@H]2C)C[NH2+]CCO1 ZINC000876852206 582263455 /nfs/dbraw/zinc/26/34/55/582263455.db2.gz SLTGPDWNHQIYLJ-NHCYSSNCSA-N 2 0 257.334 -1.061 20 0 CAADRP COC[C@]1(C(=O)NC[C@@H]2C[NH2+]CCCO2)C[NH2+]CCO1 ZINC000876871813 582263591 /nfs/dbraw/zinc/26/35/91/582263591.db2.gz YMGMDIHDIGULAU-AAEUAGOBSA-N 2 0 287.360 -1.514 20 0 CAADRP COC[C@]1(C(=O)N2C[C@@H](C)[C@H]([NH3+])C2)C[NH2+]CCO1 ZINC000876915333 582263681 /nfs/dbraw/zinc/26/36/81/582263681.db2.gz PWMIMGGBXLOLAH-FOGDFJRCSA-N 2 0 257.334 -1.203 20 0 CAADRP COC[C@@]1(C(=O)NC[C@H]2C[NH2+]CCO2)C[NH2+]CCO1 ZINC000876917895 582263708 /nfs/dbraw/zinc/26/37/08/582263708.db2.gz XKUNDHSHNCEUKQ-ZYHUDNBSSA-N 2 0 273.333 -1.904 20 0 CAADRP COC[C@]1(C(=O)N2CCCO[C@@H](C[NH3+])C2)C[NH2+]CCO1 ZINC000876917694 582263811 /nfs/dbraw/zinc/26/38/11/582263811.db2.gz BOIGSRLWUFGITN-AAEUAGOBSA-N 2 0 287.360 -1.432 20 0 CAADRP COC[C@@]1(C(=O)N2CC[C@H]([NH3+])[C@@H]2C)C[NH2+]CCO1 ZINC000876916476 582263829 /nfs/dbraw/zinc/26/38/29/582263829.db2.gz SLTGPDWNHQIYLJ-JBLDHEPKSA-N 2 0 257.334 -1.061 20 0 CAADRP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)[C@@H](N)C[NH+](C)C ZINC000876966420 582263887 /nfs/dbraw/zinc/26/38/87/582263887.db2.gz UXGNDXWHXYPUGW-NSHDSACASA-N 2 0 287.408 -1.646 20 0 CAADRP COC[C@]1(C(=O)N2CC3CC2(C[NH3+])C3)C[NH2+]CCO1 ZINC000876969391 582263937 /nfs/dbraw/zinc/26/39/37/582263937.db2.gz OOCAWRRUGOVPRJ-GDKBPFBDSA-N 2 0 269.345 -1.059 20 0 CAADRP C[NH2+]CCOCCNC(=O)[C@]1(COC)C[NH2+]CCO1 ZINC000877024026 582264006 /nfs/dbraw/zinc/26/40/06/582264006.db2.gz OGGQQFPTQACRRO-GFCCVEGCSA-N 2 0 275.349 -1.656 20 0 CAADRP C[NH2+]CCOCCNC(=O)[C@@]1(COC)C[NH2+]CCO1 ZINC000877024027 582264046 /nfs/dbraw/zinc/26/40/46/582264046.db2.gz OGGQQFPTQACRRO-LBPRGKRZSA-N 2 0 275.349 -1.656 20 0 CAADRP COC[C@]1(C(=O)N(C)CCOCC[NH3+])C[NH2+]CCO1 ZINC000877053886 582264176 /nfs/dbraw/zinc/26/41/76/582264176.db2.gz AGZDVUIYHAVEEH-LBPRGKRZSA-N 2 0 275.349 -1.575 20 0 CAADRP COC[C@@]1(C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)C[NH2+]CCO1 ZINC000877173041 582264519 /nfs/dbraw/zinc/26/45/19/582264519.db2.gz XCRLJYWRRVWPEI-NTZNESFSSA-N 2 0 269.345 -1.046 20 0 CAADRP O=C(NC[C@@H]1CC2(CO1)CC[NH2+]CC2)C1(O)C[NH2+]C1 ZINC000877329280 582265084 /nfs/dbraw/zinc/26/50/84/582265084.db2.gz SPQMOUAJPPIGEV-JTQLQIEISA-N 2 0 269.345 -1.404 20 0 CAADRP [NH3+]C[C@H]1CN(C(=O)C2(O)C[NH2+]C2)C[C@@H]1C(F)(F)F ZINC000877356426 582265145 /nfs/dbraw/zinc/26/51/45/582265145.db2.gz NNKYRWZIGZDWOE-BQBZGAKWSA-N 2 0 267.251 -1.084 20 0 CAADRP C[NH+]1CCC(NC(=O)CN2CC[N@@H+]3C[C@H](O)C[C@H]3C2)CC1 ZINC000878844764 582266820 /nfs/dbraw/zinc/26/68/20/582266820.db2.gz HCCBNARVAQTAFC-UONOGXRCSA-N 2 0 296.415 -1.052 20 0 CAADRP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@H]1CC[N@H+](CCn2cnnn2)C1 ZINC000883438790 582272187 /nfs/dbraw/zinc/27/21/87/582272187.db2.gz CJCSNKRPWCEONG-GARJFASQSA-N 2 0 293.331 -1.460 20 0 CAADRP O=C([C@H]1CCC[N@H+](CCn2cnnn2)C1)N1CC[NH2+]CC1 ZINC000883415767 582272199 /nfs/dbraw/zinc/27/21/99/582272199.db2.gz DQEFUCNDUNBQTO-LBPRGKRZSA-N 2 0 293.375 -1.183 20 0 CAADRP [NH3+][C@@H](CC1CC1)C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000884015943 582272741 /nfs/dbraw/zinc/27/27/41/582272741.db2.gz IMAMHFLTAUXBEP-JTQLQIEISA-N 2 0 254.334 -1.338 20 0 CAADRP CC1(C)C[NH2+]C[C@@H]1C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000884016325 582272769 /nfs/dbraw/zinc/27/27/69/582272769.db2.gz TUVRIBXTTGSHIH-SNVBAGLBSA-N 2 0 268.361 -1.220 20 0 CAADRP CC1(C)C[NH2+]C[C@H]1C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000884016324 582272867 /nfs/dbraw/zinc/27/28/67/582272867.db2.gz TUVRIBXTTGSHIH-JTQLQIEISA-N 2 0 268.361 -1.220 20 0 CAADRP CO[C@@H](C[NH3+])C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000884207952 582273913 /nfs/dbraw/zinc/27/39/13/582273913.db2.gz LBURPIIUMLWYOC-DCAQKATOSA-N 2 0 257.334 -1.061 20 0 CAADRP CO[C@@H](C[NH3+])C(=O)NCCN(C)CCC[NH+](C)C ZINC000884401732 582274835 /nfs/dbraw/zinc/27/48/35/582274835.db2.gz ZOZVCUFRHJMZRM-NSHDSACASA-N 2 0 260.382 -1.040 20 0 CAADRP COCC[N@H+](C)CCNC(=O)C(=O)N1C[C@@H]([NH3+])C[C@@H]1C ZINC000884563035 582275302 /nfs/dbraw/zinc/27/53/02/582275302.db2.gz SDGVWKAXIABTAF-QWRGUYRKSA-N 2 0 286.376 -1.371 20 0 CAADRP C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)NCC[NH3+])CC[C@H]21 ZINC000884673410 582275753 /nfs/dbraw/zinc/27/57/53/582275753.db2.gz WFSQRFLCVZLXIW-NXEZZACHSA-N 2 0 254.334 -1.386 20 0 CAADRP C[C@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)NCCOCC[NH+](C)C ZINC000884662462 582275763 /nfs/dbraw/zinc/27/57/63/582275763.db2.gz QHYXMPVZMKKMJY-WDEREUQCSA-N 2 0 286.376 -1.371 20 0 CAADRP C[C@H]1C[C@H]([NH3+])CN1C(=O)C(=O)NCCOCC[NH+](C)C ZINC000884662461 582275768 /nfs/dbraw/zinc/27/57/68/582275768.db2.gz QHYXMPVZMKKMJY-QWRGUYRKSA-N 2 0 286.376 -1.371 20 0 CAADRP C[NH+](C)CCOCCNC(=O)C(=O)NCCC(C)(C)[NH3+] ZINC000884662712 582275782 /nfs/dbraw/zinc/27/57/82/582275782.db2.gz WYSCIGLVCQFCNF-UHFFFAOYSA-N 2 0 288.392 -1.076 20 0 CAADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCC[C@@H]2C[NH3+])C1 ZINC000884642535 582275822 /nfs/dbraw/zinc/27/58/22/582275822.db2.gz LMDLWYKVKGKCGZ-NWDGAFQWSA-N 2 0 298.387 -1.227 20 0 CAADRP C[NH+](C)CCOCCNC(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000884662135 582275836 /nfs/dbraw/zinc/27/58/36/582275836.db2.gz IVKWEVNFHSXAPA-QWRGUYRKSA-N 2 0 284.360 -1.747 20 0 CAADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)NCCOCC[NH+](C)C ZINC000884662460 582275859 /nfs/dbraw/zinc/27/58/59/582275859.db2.gz QHYXMPVZMKKMJY-MNOVXSKESA-N 2 0 286.376 -1.371 20 0 CAADRP C[NH2+]CCNC(=O)C(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000884686512 582276085 /nfs/dbraw/zinc/27/60/85/582276085.db2.gz MKJBYYWLOJXQPI-QWRGUYRKSA-N 2 0 268.361 -1.125 20 0 CAADRP C[N@@H+]1CC[C@H]2CN(C(=O)C(=O)NC3C[NH2+]C3)CC[C@@H]21 ZINC000884693200 582276216 /nfs/dbraw/zinc/27/62/16/582276216.db2.gz QADVWOOBMMWUMR-ONGXEEELSA-N 2 0 266.345 -1.373 20 0 CAADRP C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)NC3C[NH2+]C3)CC[C@@H]21 ZINC000884693198 582276234 /nfs/dbraw/zinc/27/62/34/582276234.db2.gz QADVWOOBMMWUMR-KOLCDFICSA-N 2 0 266.345 -1.373 20 0 CAADRP C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)NC3C[NH2+]C3)CC[C@H]21 ZINC000884693199 582276244 /nfs/dbraw/zinc/27/62/44/582276244.db2.gz QADVWOOBMMWUMR-MWLCHTKSSA-N 2 0 266.345 -1.373 20 0 CAADRP CCN([C@@H]1CC[NH2+]C1)S(=O)(=O)C[C@@H]1C[NH2+]CCO1 ZINC000886893333 582279331 /nfs/dbraw/zinc/27/93/31/582279331.db2.gz PPWXEGIKZGYIES-MNOVXSKESA-N 2 0 277.390 -1.012 20 0 CAADRP CN(CC(N)=O)[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC000980398566 616265475 /nfs/dbraw/zinc/26/54/75/616265475.db2.gz YBIJIPRAGYECGA-MNOVXSKESA-N 2 0 268.361 -1.044 20 0 CAADRP CN(CC(N)=O)[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC000980398567 616364483 /nfs/dbraw/zinc/36/44/83/616364483.db2.gz YBIJIPRAGYECGA-QWRGUYRKSA-N 2 0 268.361 -1.044 20 0 CAADRP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2[C@H]3C[NH+](CCO)C[C@H]32)C1 ZINC000962585030 616380495 /nfs/dbraw/zinc/38/04/95/616380495.db2.gz FDVDOPROZNXUEA-NNYUYHANSA-N 2 0 253.346 -1.023 20 0 CAADRP C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2[C@H]3CN(CC(N)=O)C[C@H]32)C1 ZINC000962291404 616393656 /nfs/dbraw/zinc/39/36/56/616393656.db2.gz FVYAWEOARPYGHS-PUHVVEEASA-N 2 0 280.372 -1.140 20 0 CAADRP CNC(=O)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC000979076249 616640637 /nfs/dbraw/zinc/64/06/37/616640637.db2.gz VOQHSQAXBRXBJF-LPWJVIDDSA-N 2 0 294.399 -1.022 20 0 CAADRP CNC(=O)CN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CN(C)CCO1 ZINC000958470641 616644760 /nfs/dbraw/zinc/64/47/60/616644760.db2.gz VXDWXLLNIVBXNA-XZUYRWCXSA-N 2 0 296.371 -1.891 20 0 CAADRP C[NH+](C)C[C@H](CO)NC(=O)[C@]1(C)C[C@@H](O)C[N@@H+]1C ZINC000908200322 656210234 /nfs/dbraw/zinc/21/02/34/656210234.db2.gz IRZHNNHGESSEJF-FOGDFJRCSA-N 2 0 259.350 -1.520 20 0 CAADRP NC(=O)C[NH2+][C@H]1C[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001020933759 656009333 /nfs/dbraw/zinc/00/93/33/656009333.db2.gz MPSLSVMQPAIKRB-MGCOHNPYSA-N 2 0 266.345 -1.196 20 0 CAADRP C[N@@H+]1CC[C@H](C(=O)N[C@H]2C[C@H]([NH2+]CC(N)=O)C2)C1 ZINC001021047557 656010347 /nfs/dbraw/zinc/01/03/47/656010347.db2.gz HSLUGFSWYJQISJ-GUBZILKMSA-N 2 0 254.334 -1.340 20 0 CAADRP C[C@@H](C[NH+]1CCOCC1)C(=O)N1CC[C@@H]([NH2+]CC(N)=O)C1 ZINC000970728058 656017486 /nfs/dbraw/zinc/01/74/86/656017486.db2.gz RWKFKBXMIMEAES-NWDGAFQWSA-N 2 0 298.387 -1.370 20 0 CAADRP C[C@H](C[NH+]1CCOCC1)C(=O)N1CC[C@@H]([NH2+]CC(N)=O)C1 ZINC000970728059 656017854 /nfs/dbraw/zinc/01/78/54/656017854.db2.gz RWKFKBXMIMEAES-VXGBXAGGSA-N 2 0 298.387 -1.370 20 0 CAADRP CN(CC[NH+](C)C)C(=O)C(=O)N1CCC[C@@]([NH3+])(CO)C1 ZINC000926292964 656029141 /nfs/dbraw/zinc/02/91/41/656029141.db2.gz IJQSIDPBZCTOQC-ZDUSSCGKSA-N 2 0 286.376 -1.681 20 0 CAADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC(N)=O)C1 ZINC001022720502 656033578 /nfs/dbraw/zinc/03/35/78/656033578.db2.gz QYHWEIDRXYDZRG-CHWFTXMASA-N 2 0 268.361 -1.094 20 0 CAADRP [NH3+]C1CCC(NS(=O)(=O)N2CC[NH2+]CC2)CC1 ZINC000051694945 656033872 /nfs/dbraw/zinc/03/38/72/656033872.db2.gz KOCYLSKMVAVDJF-UHFFFAOYSA-N 2 0 262.379 -1.004 20 0 CAADRP C[N@@H+]1CC[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]CC(N)=O)C2)C1 ZINC001023084063 656042412 /nfs/dbraw/zinc/04/24/12/656042412.db2.gz HSLUGFSWYJQISJ-LPEHRKFASA-N 2 0 254.334 -1.340 20 0 CAADRP COCC[N@H+](C)C[C@H](O)CN1CCO[C@@H](C[NH3+])C1 ZINC000311133901 656059320 /nfs/dbraw/zinc/05/93/20/656059320.db2.gz JZUJDWOVDMKVDH-RYUDHWBXSA-N 2 0 261.366 -1.415 20 0 CAADRP 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 656067952 /nfs/dbraw/zinc/06/79/52/656067952.db2.gz BREQHONJPUEZCG-DGTMBMJNSA-N 2 0 295.383 -1.112 20 0 CAADRP C[N@@H+]1CC[C@@H](C(=O)N2CC[C@H]([NH2+]CC(N)=O)C2)C1 ZINC001019772994 656068549 /nfs/dbraw/zinc/06/85/49/656068549.db2.gz ZBISBSSVBYUPKD-ZJUUUORDSA-N 2 0 254.334 -1.386 20 0 CAADRP CNC(=O)CN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[N@H+](C)C[C@H]1C ZINC001026044678 656071254 /nfs/dbraw/zinc/07/12/54/656071254.db2.gz QTQUWUIASKWQOL-SSKLVLDBSA-N 2 0 294.399 -1.024 20 0 CAADRP 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 656071276 /nfs/dbraw/zinc/07/12/76/656071276.db2.gz WWXAUMLTABYLBF-VLLVSFFDSA-N 2 0 280.372 -1.284 20 0 CAADRP 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 656071971 /nfs/dbraw/zinc/07/19/71/656071971.db2.gz YEVDKETVKFFRSQ-BNDIWNMDSA-N 2 0 292.383 -1.127 20 0 CAADRP CC[N@H+](CCC(=O)N1CC[NH2+]CC1)CC(=O)NC ZINC000053298818 656075092 /nfs/dbraw/zinc/07/50/92/656075092.db2.gz QQIUFWLYSDOVJN-UHFFFAOYSA-N 2 0 256.350 -1.124 20 0 CAADRP CN1CCN(C(=O)CN[C@H]2C[NH2+]CCOC2)CC1 ZINC000925615686 656076087 /nfs/dbraw/zinc/07/60/87/656076087.db2.gz HRVZDNNULOPXPT-NSHDSACASA-N 2 0 256.350 -1.662 20 0 CAADRP COCC[N@H+](C)C[C@@H](O)CN1CCCO[C@@H](C[NH3+])C1 ZINC000313374273 656081393 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CN1C[C@@H](O)C[C@@]1(C)C(=O)NC[C@H]1C[C@@H](O)C[N@@H+]1C ZINC000924973720 656121901 /nfs/dbraw/zinc/12/19/01/656121901.db2.gz FNXFFUXASMJQNT-DCQANWLSSA-N 2 0 271.361 -1.377 20 0 CAADRP C[N@@H+]1CC[C@@H](C(=O)NC[C@@H]2CC[NH+](CC(N)=O)C2)C1 ZINC001028985033 656123791 /nfs/dbraw/zinc/12/37/91/656123791.db2.gz HDBZKBICSQHZTD-WDEREUQCSA-N 2 0 268.361 -1.139 20 0 CAADRP C[N@@H+]1CC[C@H](C(=O)NC[C@@H]2CC[NH+](CC(N)=O)C2)C1 ZINC001028985032 656124090 /nfs/dbraw/zinc/12/40/90/656124090.db2.gz HDBZKBICSQHZTD-QWRGUYRKSA-N 2 0 268.361 -1.139 20 0 CAADRP CN1CCO[C@H](C(=O)N[C@H]2CCC[N@H+](CCO)C2)C1 ZINC001007005923 656129819 /nfs/dbraw/zinc/12/98/19/656129819.db2.gz AAOLDGBCNLXSNY-RYUDHWBXSA-N 2 0 271.361 -1.110 20 0 CAADRP C[C@@H]([NH2+]C1CCN(C(=O)[C@@H]2CN(C)CCO2)CC1)C(N)=O ZINC000990571536 656162384 /nfs/dbraw/zinc/16/23/84/656162384.db2.gz UQMWLKHBBSKRAT-PWSUYJOCSA-N 2 0 298.387 -1.229 20 0 CAADRP CN1CCO[C@@H](C(=O)N2CCC([NH2+]CCO)CC2)C1 ZINC000990571447 656162489 /nfs/dbraw/zinc/16/24/89/656162489.db2.gz UEMMSSVQTBHJJX-GFCCVEGCSA-N 2 0 271.361 -1.110 20 0 CAADRP C[C@@H]1C[NH2+]C[C@H]1CNS(=O)(=O)C[C@@H]1C[NH2+]CCO1 ZINC000903533047 656185241 /nfs/dbraw/zinc/18/52/41/656185241.db2.gz AAQYUBBFQBVVKO-VWYCJHECSA-N 2 0 277.390 -1.250 20 0 CAADRP CC1(C)C[NH2+]C[C@H]1NS(=O)(=O)C[C@@H]1C[NH2+]CCO1 ZINC000903550728 656185357 /nfs/dbraw/zinc/18/53/57/656185357.db2.gz LJZWSVFTGUVSTJ-VHSXEESVSA-N 2 0 277.390 -1.108 20 0 CAADRP O=S(=O)(C[C@H]1C[NH2+]CCO1)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000903563304 656185370 /nfs/dbraw/zinc/18/53/70/656185370.db2.gz XQHZPEGCSBMWFV-CHWFTXMASA-N 2 0 275.374 -1.213 20 0 CAADRP [NH3+]C[C@@]12CC[C@H]1CCN2S(=O)(=O)N1CC[NH2+]CC1 ZINC000903584624 656185405 /nfs/dbraw/zinc/18/54/05/656185405.db2.gz KIOUQZQVZWHSBI-QWRGUYRKSA-N 2 0 274.390 -1.050 20 0 CAADRP CN(C1(C[NH3+])CCOCC1)S(=O)(=O)N1CC[NH2+]CC1 ZINC000903538052 656185519 /nfs/dbraw/zinc/18/55/19/656185519.db2.gz LZTUWHIXOWKVJD-UHFFFAOYSA-N 2 0 292.405 -1.424 20 0 CAADRP CC1(C)C[NH2+]C[C@H]1NS(=O)(=O)N1CC[NH2+]CC1 ZINC000903554263 656185579 /nfs/dbraw/zinc/18/55/79/656185579.db2.gz OHWFCUFSSLAYKQ-SECBINFHSA-N 2 0 262.379 -1.276 20 0 CAADRP [NH3+]C[C@]12CC[C@@H]1CCN2S(=O)(=O)N1CC[NH2+]CC1 ZINC000903584514 656185767 /nfs/dbraw/zinc/18/57/67/656185767.db2.gz KIOUQZQVZWHSBI-GHMZBOCLSA-N 2 0 274.390 -1.050 20 0 CAADRP [NH3+]CCN(C[C@H](O)CO)C[C@H](O)C[NH+]1CCCC1 ZINC000903767510 656186355 /nfs/dbraw/zinc/18/63/55/656186355.db2.gz GPZKLUFDWZQFCY-NEPJUHHUSA-N 2 0 261.366 -1.943 20 0 CAADRP [NH3+]CCN(C[C@H](O)CO)C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903768144 656186544 /nfs/dbraw/zinc/18/65/44/656186544.db2.gz KRQSRWJXPFWPEV-RWMBFGLXSA-N 2 0 273.377 -1.631 20 0 CAADRP [NH3+]CCN(C[C@H](O)CO)C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903767903 656186598 /nfs/dbraw/zinc/18/65/98/656186598.db2.gz JDIBZVVIGWVLRA-STQMWFEESA-N 2 0 287.404 -1.241 20 0 CAADRP C[NH2+]C[C@](C)(O)C[N@@H+]1C[C@@H](C)[C@H](CS(N)(=O)=O)C1 ZINC000903826294 656186902 /nfs/dbraw/zinc/18/69/02/656186902.db2.gz HLSYVQAUFBZYDZ-VWYCJHECSA-N 2 0 279.406 -1.187 20 0 CAADRP CN1CCN(S(=O)(=O)CC2CC[NH2+]CC2)[C@@H](C[NH3+])C1 ZINC000905331595 656190566 /nfs/dbraw/zinc/19/05/66/656190566.db2.gz ZRCBMHLAKHIDTN-LBPRGKRZSA-N 2 0 290.433 -1.110 20 0 CAADRP [NH3+]C[C@H]1CN(S(=O)(=O)CC2CC[NH2+]CC2)CCO1 ZINC000905341568 656190652 /nfs/dbraw/zinc/19/06/52/656190652.db2.gz AEGZMUNDFGLZAL-NSHDSACASA-N 2 0 277.390 -1.025 20 0 CAADRP O=S(=O)(CC1CC[NH2+]CC1)NC[C@@H]1C[NH2+]CCO1 ZINC000905342603 656190944 /nfs/dbraw/zinc/19/09/44/656190944.db2.gz CLXRRVSAVYPMDD-NSHDSACASA-N 2 0 277.390 -1.106 20 0 CAADRP CC[N@H+](CCO)CCNC(=O)[C@@]1(C)C[C@H](O)C[NH+]1C ZINC000907440676 656197689 /nfs/dbraw/zinc/19/76/89/656197689.db2.gz MGQBNXWDXGCHHI-WCQYABFASA-N 2 0 273.377 -1.128 20 0 CAADRP CC[N@H+](CCO)CCNC(=O)[C@@]1(C)C[C@@H](O)C[NH+]1C ZINC000907440675 656197817 /nfs/dbraw/zinc/19/78/17/656197817.db2.gz MGQBNXWDXGCHHI-DGCLKSJQSA-N 2 0 273.377 -1.128 20 0 CAADRP CC[N@H+](CCO)CCNC(=O)C1CN(C)CC[NH+](C)C1 ZINC000907440195 656197975 /nfs/dbraw/zinc/19/79/75/656197975.db2.gz CXLIRXONRZCTQK-UHFFFAOYSA-N 2 0 286.420 -1.090 20 0 CAADRP C[N@@H+]1C[C@H](O)C[C@@]1(C)C(=O)NC[C@@H]1C[NH+]2CCN1CCC2 ZINC000908026697 656205280 /nfs/dbraw/zinc/20/52/80/656205280.db2.gz BBPMOYUDHMGFOF-NFAWXSAZSA-N 2 0 296.415 -1.052 20 0 CAADRP C[N@@H+]1C[C@H](O)C[C@@]1(C)C(=O)NC[C@H]1C[NH+]2CCN1CCC2 ZINC000908026695 656205507 /nfs/dbraw/zinc/20/55/07/656205507.db2.gz BBPMOYUDHMGFOF-GUTXKFCHSA-N 2 0 296.415 -1.052 20 0 CAADRP C[N@@H+]1C[C@H](O)C[C@]1(C)C(=O)NC[C@H]1C[NH+]2CCN1CCC2 ZINC000908026696 656205748 /nfs/dbraw/zinc/20/57/48/656205748.db2.gz BBPMOYUDHMGFOF-GZBFAFLISA-N 2 0 296.415 -1.052 20 0 CAADRP C[NH+](C)C[C@H](CO)NC(=O)[C@]1(C)C[C@H](O)C[N@@H+]1C ZINC000908200325 656210435 /nfs/dbraw/zinc/21/04/35/656210435.db2.gz IRZHNNHGESSEJF-SCVCMEIPSA-N 2 0 259.350 -1.520 20 0 CAADRP C[NH+](C)C[C@H](CO)NC(=O)C[C@]1(O)CCC[N@H+](C)C1 ZINC000908201074 656210461 /nfs/dbraw/zinc/21/04/61/656210461.db2.gz NTZFMKVFXKKFIA-DGCLKSJQSA-N 2 0 273.377 -1.128 20 0 CAADRP C[NH+](C)C[C@H](CO)NC(=O)[C@@]1(C)C[C@H](O)C[N@@H+]1C ZINC000908200324 656210626 /nfs/dbraw/zinc/21/06/26/656210626.db2.gz IRZHNNHGESSEJF-JFGNBEQYSA-N 2 0 259.350 -1.520 20 0 CAADRP COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NC1CC[NH+](C)CC1 ZINC000910956036 656230522 /nfs/dbraw/zinc/23/05/22/656230522.db2.gz DYUORNUUYQOANO-LBPRGKRZSA-N 2 0 298.387 -1.356 20 0 CAADRP C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)NCC[N@H+](C)C1CC1 ZINC000911055002 656232952 /nfs/dbraw/zinc/23/29/52/656232952.db2.gz YQZJNTCYFMYQGC-MWLCHTKSSA-N 2 0 268.361 -1.079 20 0 CAADRP C[N@H+](CCNC(=O)C(=O)N1CCNCC[NH2+]CC1)C1CC1 ZINC000911052812 656233130 /nfs/dbraw/zinc/23/31/30/656233130.db2.gz HQCHAWFMKIYXCJ-UHFFFAOYSA-N 2 0 297.403 -1.782 20 0 CAADRP [NH3+]C1(CNC(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC000911147837 656235274 /nfs/dbraw/zinc/23/52/74/656235274.db2.gz KKGMMMGMXZCPCE-QWRGUYRKSA-N 2 0 296.371 -1.427 20 0 CAADRP COCC[N@H+](C)CCNC(=O)C(=O)NCC1([NH3+])CC1 ZINC000911154464 656235578 /nfs/dbraw/zinc/23/55/78/656235578.db2.gz AVRQZEOZWHURAW-UHFFFAOYSA-N 2 0 272.349 -1.712 20 0 CAADRP COCC[N@H+](C)CCNC(=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000911154808 656235776 /nfs/dbraw/zinc/23/57/76/656235776.db2.gz DXKNDORBTJROPU-QJPTWQEYSA-N 2 0 298.387 -1.310 20 0 CAADRP COCC[N@H+](C)CCNC(=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000911154807 656235969 /nfs/dbraw/zinc/23/59/69/656235969.db2.gz DXKNDORBTJROPU-GRYCIOLGSA-N 2 0 298.387 -1.310 20 0 CAADRP COCC[N@H+](C)CCNC(=O)C(=O)N[C@@H]1C[NH2+]C[C@H]1C ZINC000911158414 656236073 /nfs/dbraw/zinc/23/60/73/656236073.db2.gz YUWARMGURGFEFV-GHMZBOCLSA-N 2 0 286.376 -1.595 20 0 CAADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NCC1([NH3+])CC1 ZINC000911194205 656236552 /nfs/dbraw/zinc/23/65/52/656236552.db2.gz NDMRBOOBNFPDQM-LLVKDONJSA-N 2 0 298.387 -1.179 20 0 CAADRP [NH3+]C1(CNC(=O)C(=O)NCCCC[NH+]2CCOCC2)CC1 ZINC000911188450 656236585 /nfs/dbraw/zinc/23/65/85/656236585.db2.gz YDQNRPBKTCZFDR-UHFFFAOYSA-N 2 0 298.387 -1.178 20 0 CAADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCC[C@H]([NH3+])C2)C1 ZINC000911240303 656237773 /nfs/dbraw/zinc/23/77/73/656237773.db2.gz IPZXNHHVPLVVLJ-RYUDHWBXSA-N 2 0 298.387 -1.227 20 0 CAADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CCC[C@H]([NH3+])C2)C1 ZINC000911240302 656238115 /nfs/dbraw/zinc/23/81/15/656238115.db2.gz IPZXNHHVPLVVLJ-NWDGAFQWSA-N 2 0 298.387 -1.227 20 0 CAADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000911236446 656238296 /nfs/dbraw/zinc/23/82/96/656238296.db2.gz QYRYSJZRFAKMES-IJLUTSLNSA-N 2 0 298.387 -1.453 20 0 CAADRP COCC[N@H+](C)CCCNC(=O)C(=O)NCC1([NH3+])CC1 ZINC000911230808 656238966 /nfs/dbraw/zinc/23/89/66/656238966.db2.gz IGMZZFZZFYNFJE-UHFFFAOYSA-N 2 0 286.376 -1.322 20 0 CAADRP CCO[C@H](CNC(=O)C(=O)N[C@@H]1CC[NH2+]C1)C[NH+](C)C ZINC000911275847 656239409 /nfs/dbraw/zinc/23/94/09/656239409.db2.gz ZOIWHPYUGLOSBZ-GHMZBOCLSA-N 2 0 286.376 -1.453 20 0 CAADRP C[NH+](C)CCOCCNC(=O)C(=O)NCC1([NH3+])CC1 ZINC000911256796 656239656 /nfs/dbraw/zinc/23/96/56/656239656.db2.gz BLHQABGXNYICLV-UHFFFAOYSA-N 2 0 272.349 -1.712 20 0 CAADRP C[NH+](C)CCOCCNC(=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000911259246 656239704 /nfs/dbraw/zinc/23/97/04/656239704.db2.gz WQQUPPLSWNWYPE-QJPTWQEYSA-N 2 0 298.387 -1.310 20 0 CAADRP C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)NCCOCC[NH+](C)C ZINC000911257460 656239712 /nfs/dbraw/zinc/23/97/12/656239712.db2.gz IZODJODCYOXZQR-GHMZBOCLSA-N 2 0 286.376 -1.595 20 0 CAADRP C[N@@H+]1C[C@@H]2CN(C(=O)C(=O)N[C@H]3CC[NH2+]C3)C[C@]2(C)C1 ZINC000911272970 656239805 /nfs/dbraw/zinc/23/98/05/656239805.db2.gz HBJZRKBUTRITOC-SUNKGSAMSA-N 2 0 280.372 -1.125 20 0 CAADRP C[NH+](C)CCOCCNC(=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000911259245 656239888 /nfs/dbraw/zinc/23/98/88/656239888.db2.gz WQQUPPLSWNWYPE-GRYCIOLGSA-N 2 0 298.387 -1.310 20 0 CAADRP CCO[C@@H](CNC(=O)C(=O)N[C@@H]1CC[NH2+]C1)C[NH+](C)C ZINC000911275848 656239905 /nfs/dbraw/zinc/23/99/05/656239905.db2.gz ZOIWHPYUGLOSBZ-MNOVXSKESA-N 2 0 286.376 -1.453 20 0 CAADRP CCO[C@H](CNC(=O)C(=O)NCC(C)(C)[NH3+])C[NH+](C)C ZINC000911299495 656240127 /nfs/dbraw/zinc/24/01/27/656240127.db2.gz YOTOODYJKPWGDN-SNVBAGLBSA-N 2 0 288.392 -1.077 20 0 CAADRP CCO[C@@H](CNC(=O)C(=O)NC[C@H](C)C[NH3+])C[NH+](C)C ZINC000911293859 656240164 /nfs/dbraw/zinc/24/01/64/656240164.db2.gz UAIRQODLOLXBJO-MNOVXSKESA-N 2 0 288.392 -1.220 20 0 CAADRP CCO[C@@H](CNC(=O)C(=O)NC[C@@H](C)C[NH3+])C[NH+](C)C ZINC000911293861 656240178 /nfs/dbraw/zinc/24/01/78/656240178.db2.gz UAIRQODLOLXBJO-QWRGUYRKSA-N 2 0 288.392 -1.220 20 0 CAADRP CCO[C@@H](CNC(=O)C(=O)N[C@H](C)CC[NH3+])C[NH+](C)C ZINC000911298734 656240343 /nfs/dbraw/zinc/24/03/43/656240343.db2.gz VTDCILJRKNPVAX-MNOVXSKESA-N 2 0 288.392 -1.077 20 0 CAADRP [NH3+]CCNC(=O)C(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000911268067 656240381 /nfs/dbraw/zinc/24/03/81/656240381.db2.gz UILGPNIITOOFOL-QWRGUYRKSA-N 2 0 284.360 -1.881 20 0 CAADRP [NH3+]CCNC(=O)C(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000911268065 656240461 /nfs/dbraw/zinc/24/04/61/656240461.db2.gz UILGPNIITOOFOL-MNOVXSKESA-N 2 0 284.360 -1.881 20 0 CAADRP C[C@H](C[NH3+])NC(=O)C(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC000911299037 656240599 /nfs/dbraw/zinc/24/05/99/656240599.db2.gz YZHQAGKMWNSFQB-GRYCIOLGSA-N 2 0 298.387 -1.493 20 0 CAADRP CCO[C@H](CNC(=O)C(=O)NC[C@@H](C)C[NH3+])C[NH+](C)C ZINC000911293863 656240729 /nfs/dbraw/zinc/24/07/29/656240729.db2.gz UAIRQODLOLXBJO-WDEREUQCSA-N 2 0 288.392 -1.220 20 0 CAADRP CCO[C@@H](CNC(=O)C(=O)N[C@@H](C)C[NH3+])C[NH+](C)C ZINC000911299101 656240739 /nfs/dbraw/zinc/24/07/39/656240739.db2.gz ZDYWBYYAUIDPCP-UWVGGRQHSA-N 2 0 274.365 -1.467 20 0 CAADRP CCO[C@H](CNC(=O)C(=O)NC[C@H](C)[NH3+])C[NH+](C)C ZINC000911282259 656241018 /nfs/dbraw/zinc/24/10/18/656241018.db2.gz SGVSXVGMHUQRGX-VHSXEESVSA-N 2 0 274.365 -1.467 20 0 CAADRP CCO[C@H](CNC(=O)C(=O)NC[C@@H](C)[NH3+])C[NH+](C)C ZINC000911282169 656241127 /nfs/dbraw/zinc/24/11/27/656241127.db2.gz SGVSXVGMHUQRGX-NXEZZACHSA-N 2 0 274.365 -1.467 20 0 CAADRP CCO[C@@H](CNC(=O)C(=O)NC[C@H](C)[NH3+])C[NH+](C)C ZINC000911282258 656241130 /nfs/dbraw/zinc/24/11/30/656241130.db2.gz SGVSXVGMHUQRGX-UWVGGRQHSA-N 2 0 274.365 -1.467 20 0 CAADRP CN(C)c1cc[nH+]c(CNC(=O)C(=O)NC2C[NH2+]C2)c1 ZINC000911289118 656241787 /nfs/dbraw/zinc/24/17/87/656241787.db2.gz YLJBBWVQFIXBQP-UHFFFAOYSA-N 2 0 277.328 -1.148 20 0 CAADRP C[N@@H+]1C[C@@H]2CN(C(=O)C(=O)NCC3C[NH2+]C3)C[C@]2(C)C1 ZINC000911287822 656241806 /nfs/dbraw/zinc/24/18/06/656241806.db2.gz IXHXPCDTYKPMMY-RISCZKNCSA-N 2 0 280.372 -1.268 20 0 CAADRP CC1(C)CC[N@H+](CCNC(=O)C(=O)NC2C[NH2+]C2)C1 ZINC000911287720 656241844 /nfs/dbraw/zinc/24/18/44/656241844.db2.gz DYDLKTHWOVJIQW-UHFFFAOYSA-N 2 0 268.361 -1.078 20 0 CAADRP C[N@@H+]1C[C@@H]2CN(C(=O)C(=O)NC3C[NH2+]C3)C[C@]2(C)C1 ZINC000911288239 656241889 /nfs/dbraw/zinc/24/18/89/656241889.db2.gz OIWMHBJHLJTFBW-RNCFNFMXSA-N 2 0 266.345 -1.516 20 0 CAADRP CCO[C@H](CNC(=O)C(=O)N[C@H](C)C[NH2+]C)C[NH+](C)C ZINC000911338314 656242384 /nfs/dbraw/zinc/24/23/84/656242384.db2.gz JIPINIWGIQQWPP-GHMZBOCLSA-N 2 0 288.392 -1.207 20 0 CAADRP C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000911370025 656242917 /nfs/dbraw/zinc/24/29/17/656242917.db2.gz LNQPUTQTSPYYPX-OUAUKWLOSA-N 2 0 268.361 -1.079 20 0 CAADRP CCO[C@@H](CNC(=O)C(=O)N(C)C[C@H](C)[NH3+])C[NH+](C)C ZINC000911434386 656243371 /nfs/dbraw/zinc/24/33/71/656243371.db2.gz HQXIZODMCYATLD-QWRGUYRKSA-N 2 0 288.392 -1.125 20 0 CAADRP CCO[C@H](CNC(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)C[NH+](C)C ZINC000911434276 656243413 /nfs/dbraw/zinc/24/34/13/656243413.db2.gz HIOLTMGHQSVVOC-SDDRHHMPSA-N 2 0 298.387 -1.358 20 0 CAADRP CCO[C@@H](CNC(=O)C(=O)N1CC[C@H]([NH3+])C1)C[NH+](C)C ZINC000911435289 656243799 /nfs/dbraw/zinc/24/37/99/656243799.db2.gz LDAJIZQDQMFDJY-QWRGUYRKSA-N 2 0 286.376 -1.371 20 0 CAADRP CCO[C@H](CNC(=O)C(=O)N(C)[C@@H](C)C[NH3+])C[NH+](C)C ZINC000911435853 656243985 /nfs/dbraw/zinc/24/39/85/656243985.db2.gz QGOSQUOGHQDWGO-WDEREUQCSA-N 2 0 288.392 -1.125 20 0 CAADRP CCO[C@@H](CNC(=O)C(=O)NCC1([NH3+])CC1)C[NH+](C)C ZINC000911436249 656244082 /nfs/dbraw/zinc/24/40/82/656244082.db2.gz SKPKFJNJYQDOMS-JTQLQIEISA-N 2 0 286.376 -1.323 20 0 CAADRP C[N@@H+]1CCC[C@@H](NC(=O)C(=O)NCC2([NH3+])CC2)C1 ZINC000911506391 656248851 /nfs/dbraw/zinc/24/88/51/656248851.db2.gz MNSINZZCEZDADG-SECBINFHSA-N 2 0 254.334 -1.196 20 0 CAADRP CC(C)[C@H]([NH3+])C(=O)NCCC(=O)N1CC[NH2+]CC1 ZINC000911648470 656251989 /nfs/dbraw/zinc/25/19/89/656251989.db2.gz KKAJQVCPJUQYRF-NSHDSACASA-N 2 0 256.350 -1.092 20 0 CAADRP O=C(NCCN1CC[NH2+]CC1)C1=NO[C@@]2(C1)CCC[NH2+]C2 ZINC000911696243 656252164 /nfs/dbraw/zinc/25/21/64/656252164.db2.gz UHQQLWLDMPVVGU-CQSZACIVSA-N 2 0 295.387 -1.094 20 0 CAADRP [NH3+]CCN1CCC[C@@H](C(=O)NCCN2CC[NH2+]CC2)C1=O ZINC000911694456 656252236 /nfs/dbraw/zinc/25/22/36/656252236.db2.gz ZAYYOXCFJVSSHB-LBPRGKRZSA-N 2 0 297.403 -1.795 20 0 CAADRP O=C(C[C@]1(O)CCC[NH2+]C1)NCCN1CC[NH2+]CC1 ZINC000911695320 656252262 /nfs/dbraw/zinc/25/22/62/656252262.db2.gz KXAVZTCVWMQMCL-CYBMUJFWSA-N 2 0 270.377 -1.488 20 0 CAADRP CC(C)[C@@H]([NH3+])C(=O)NCCC(=O)N[C@@H]1CC[NH2+]C1 ZINC000911696940 656252349 /nfs/dbraw/zinc/25/23/49/656252349.db2.gz YBPHZUQTDVJFRN-MWLCHTKSSA-N 2 0 256.350 -1.046 20 0 CAADRP [NH3+]CCN1CCC[C@@H](C(=O)N2CC[C@@H]([NH3+])C2)C1=O ZINC000911652543 656252389 /nfs/dbraw/zinc/25/23/89/656252389.db2.gz VSKSFLKMSOKISJ-NXEZZACHSA-N 2 0 254.334 -1.257 20 0 CAADRP [NH3+]CCCn1ccc(C(=O)NCCN2CC[NH2+]CC2)n1 ZINC000911694887 656252408 /nfs/dbraw/zinc/25/24/08/656252408.db2.gz FAGJLJZYBHNTAZ-UHFFFAOYSA-N 2 0 280.376 -1.133 20 0 CAADRP O=C(CNC(=O)C12CC(C1)C[NH2+]2)N1CC[NH2+]CC1 ZINC000911703363 656252872 /nfs/dbraw/zinc/25/28/72/656252872.db2.gz YLQRCYZPTARBNK-UHFFFAOYSA-N 2 0 252.318 -1.714 20 0 CAADRP CN(CCN1CC[NH2+]CC1)C(=O)[C@]12C[NH2+]C[C@H]1CCOC2 ZINC000911774742 656253476 /nfs/dbraw/zinc/25/34/76/656253476.db2.gz MLNIHWOISKIGNR-HIFRSBDPSA-N 2 0 296.415 -1.024 20 0 CAADRP C[C@H](C[NH3+])N(C)C(=O)[C@H]1CCCN(CC[NH3+])C1=O ZINC000911814539 656253551 /nfs/dbraw/zinc/25/35/51/656253551.db2.gz SZUXXSBIVQYQKJ-NXEZZACHSA-N 2 0 256.350 -1.011 20 0 CAADRP [NH3+]CCNCC(=O)Nc1ccc(N2CC[NH2+]CC2)cn1 ZINC000911737065 656253602 /nfs/dbraw/zinc/25/36/02/656253602.db2.gz XMAJPMHUUQTOMI-UHFFFAOYSA-N 2 0 278.360 -1.022 20 0 CAADRP CC[NH2+]CCNC(=O)[C@H]1CCCN(CC[NH3+])C1=O ZINC000911750130 656253686 /nfs/dbraw/zinc/25/36/86/656253686.db2.gz FTZBTVUMTDKNOR-SNVBAGLBSA-N 2 0 256.350 -1.091 20 0 CAADRP CC[NH2+]CCNC(=O)[C@@H]1CCCN(CC[NH3+])C1=O ZINC000911750129 656253708 /nfs/dbraw/zinc/25/37/08/656253708.db2.gz FTZBTVUMTDKNOR-JTQLQIEISA-N 2 0 256.350 -1.091 20 0 CAADRP CN1CCN(C(=O)C[C@]2(O)CCC[NH2+]C2)[C@H](C[NH3+])C1 ZINC000911874656 656254367 /nfs/dbraw/zinc/25/43/67/656254367.db2.gz COQDDWIGOZDGML-DGCLKSJQSA-N 2 0 270.377 -1.408 20 0 CAADRP CN1CCN(C(=O)[C@@H]2C[NH2+]CCN2C)[C@H](C[NH3+])C1 ZINC000911876124 656254817 /nfs/dbraw/zinc/25/48/17/656254817.db2.gz YGJPCKGYWFADPH-MNOVXSKESA-N 2 0 255.366 -2.009 20 0 CAADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)[C@@H]2C[NH2+]CCN2C)CCO1 ZINC000911882243 656254941 /nfs/dbraw/zinc/25/49/41/656254941.db2.gz UIKDDWUIWRHHNL-DCAQKATOSA-N 2 0 256.350 -1.535 20 0 CAADRP CN1CCN(C(=O)[C@H]2CCCN(CC[NH3+])C2=O)[C@@H](C[NH3+])C1 ZINC000911878449 656254962 /nfs/dbraw/zinc/25/49/62/656254962.db2.gz GGERRWYSKDXNBX-RYUDHWBXSA-N 2 0 297.403 -1.715 20 0 CAADRP CN1CCN(C(=O)c2ccn(CCC[NH3+])n2)[C@@H](C[NH3+])C1 ZINC000911874978 656254970 /nfs/dbraw/zinc/25/49/70/656254970.db2.gz HESVIRVEZJPUOK-NSHDSACASA-N 2 0 280.376 -1.053 20 0 CAADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)[C@H]2C[NH2+]CCN2C)CCO1 ZINC000911882242 656255142 /nfs/dbraw/zinc/25/51/42/656255142.db2.gz UIKDDWUIWRHHNL-AXFHLTTASA-N 2 0 256.350 -1.535 20 0 CAADRP CN1CCN(C(=O)[C@H]2C[NH2+]CCN2C)[C@@H](C[NH3+])C1 ZINC000911876226 656255238 /nfs/dbraw/zinc/25/52/38/656255238.db2.gz YGJPCKGYWFADPH-WDEREUQCSA-N 2 0 255.366 -2.009 20 0 CAADRP CN1CC[N@H+](C)CC(C(=O)N2CC[NH+]3C[C@H](O)C[C@H]3C2)C1 ZINC000912053877 656256827 /nfs/dbraw/zinc/25/68/27/656256827.db2.gz DWMHVYQJQRNERM-UONOGXRCSA-N 2 0 296.415 -1.243 20 0 CAADRP CN1CC[N@H+](C)CC(C(=O)NCC[NH+]2CC[C@@H](O)C2)C1 ZINC000913171484 656273055 /nfs/dbraw/zinc/27/30/55/656273055.db2.gz MUUXXGZIPISPKI-CYBMUJFWSA-N 2 0 284.404 -1.337 20 0 CAADRP COCC[N@H+](C)C[C@@H](O)CN1CCO[C@H](C[NH3+])C1 ZINC000311133903 656281146 /nfs/dbraw/zinc/28/11/46/656281146.db2.gz JZUJDWOVDMKVDH-VXGBXAGGSA-N 2 0 261.366 -1.415 20 0 CAADRP CN1CC[N@H+](C)CC(C(=O)NCC[NH+]2CC[C@H](O)C2)C1 ZINC000913351895 656282023 /nfs/dbraw/zinc/28/20/23/656282023.db2.gz MUUXXGZIPISPKI-ZDUSSCGKSA-N 2 0 284.404 -1.337 20 0 CAADRP COC[C@H](O)C[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000225485468 656298197 /nfs/dbraw/zinc/29/81/97/656298197.db2.gz QIEAUCJCMNSQMC-GHMZBOCLSA-N 2 0 259.350 -1.219 20 0 CAADRP O=C(NCC1C[NH+](CCO)C1)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001031857534 656399826 /nfs/dbraw/zinc/39/98/26/656399826.db2.gz XQWUAKGKQOEMKE-GLWUULTISA-N 2 0 295.383 -1.110 20 0 CAADRP CN1CCO[C@H](C(=O)N2C[C@@H]([NH2+]CC(N)=O)C(C)(C)C2)C1 ZINC000995604132 656473529 /nfs/dbraw/zinc/47/35/29/656473529.db2.gz LAYVHZXRVDPXGP-WDEREUQCSA-N 2 0 298.387 -1.371 20 0 CAADRP CN1CCO[C@H](C(=O)NCC2CC[NH+](CC(N)=O)CC2)C1 ZINC001001278248 656620583 /nfs/dbraw/zinc/62/05/83/656620583.db2.gz JQBIFJLNBGOJCJ-LBPRGKRZSA-N 2 0 298.387 -1.370 20 0 CAADRP C[C@@H](C(=O)NCC[N@H+](C)CCOCCO)[NH+](C)C ZINC000922109940 656640927 /nfs/dbraw/zinc/64/09/27/656640927.db2.gz IUAXHHHQBHDWGY-NSHDSACASA-N 2 0 261.366 -1.007 20 0 CAADRP CN(C(=O)[C@@H]1CN(C)CCO1)[C@@H]1CC[N@H+](CCO)C1 ZINC001032981365 656669466 /nfs/dbraw/zinc/66/94/66/656669466.db2.gz RKPLCSTWNDSMFJ-NEPJUHHUSA-N 2 0 271.361 -1.158 20 0 CAADRP C[N@@H+]1C[C@@H]2CN(C(=O)C(=O)NCC[NH3+])C[C@]2(C)C1 ZINC000702367606 656736952 /nfs/dbraw/zinc/73/69/52/656736952.db2.gz CNXIHFZVQADWLX-SKDRFNHKSA-N 2 0 254.334 -1.529 20 0 CAADRP C[NH+](C)C[C@H](N)C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000702385137 656737783 /nfs/dbraw/zinc/73/77/83/656737783.db2.gz CECSQARRQVYVHD-SRVKXCTJSA-N 2 0 270.377 -1.145 20 0 CAADRP C[NH+](C)C[C@H](N)C(=O)NC[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000702390365 656738080 /nfs/dbraw/zinc/73/80/80/656738080.db2.gz HPBRVCGGKZKWLM-NEPJUHHUSA-N 2 0 269.393 -1.619 20 0 CAADRP C[NH+](C)C[C@H](N)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000702385139 656738997 /nfs/dbraw/zinc/73/89/97/656738997.db2.gz CECSQARRQVYVHD-TUAOUCFPSA-N 2 0 270.377 -1.145 20 0 CAADRP [NH3+]C[C@@H]1CCCCN1S(=O)(=O)N1CC[NH2+]CC1 ZINC000923564659 656807147 /nfs/dbraw/zinc/80/71/47/656807147.db2.gz AZVLGPXCKIJIFP-JTQLQIEISA-N 2 0 262.379 -1.050 20 0 CAADRP COCC[N@H+](C)C[C@H](O)CN1CCC[C@H]([NH2+]CCO)C1 ZINC000708545617 656792006 /nfs/dbraw/zinc/79/20/06/656792006.db2.gz PWQBKECAFIUFLN-KBPBESRZSA-N 2 0 289.420 -1.028 20 0 CAADRP COC[C@@]1(C(=O)NCCOCC[NH+](C)C)C[NH2+]CCO1 ZINC000710705119 656794386 /nfs/dbraw/zinc/79/43/86/656794386.db2.gz XTQFMPUOARGIBM-CYBMUJFWSA-N 2 0 289.376 -1.314 20 0 CAADRP [NH3+]CC[C@@H](NS(=O)(=O)N1CC[NH2+]CC1)C(F)F ZINC000923641781 656811684 /nfs/dbraw/zinc/81/16/84/656811684.db2.gz ODURHRLCCAVBQU-SSDOTTSWSA-N 2 0 272.321 -1.292 20 0 CAADRP [NH3+]C[C@@H]1C[C@H](F)CN1S(=O)(=O)N1CC[NH2+]CC1 ZINC000923635942 656811691 /nfs/dbraw/zinc/81/16/91/656811691.db2.gz JXTPQNMTRVBPCO-IUCAKERBSA-N 2 0 266.342 -1.493 20 0 CAADRP C[C@@H]1[C@H](C)[NH2+]CCN1S(=O)(=O)N1CC[NH2+]CC1 ZINC000923639249 656811719 /nfs/dbraw/zinc/81/17/19/656811719.db2.gz INLJRTSLRZKGEU-VHSXEESVSA-N 2 0 262.379 -1.181 20 0 CAADRP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)C1 ZINC000923281893 656802796 /nfs/dbraw/zinc/80/27/96/656802796.db2.gz IUUOHJGTUFVVHK-RFGFWPKPSA-N 2 0 296.415 -1.019 20 0 CAADRP OCC[NH2+][C@@H]1CCCN(CCN2CC[NH2+]CC2)C1 ZINC000923406899 656803639 /nfs/dbraw/zinc/80/36/39/656803639.db2.gz QLMXCUOYZUHLRE-CYBMUJFWSA-N 2 0 256.394 -1.062 20 0 CAADRP CN1C(=O)[C@H]2C[N@H+](C[C@H]3CC4(C[NH2+]C4)CO3)C[C@H]2C1=O ZINC000923413781 656803833 /nfs/dbraw/zinc/80/38/33/656803833.db2.gz IBSFQKZGKOIENX-MXWKQRLJSA-N 2 0 279.340 -1.089 20 0 CAADRP [NH3+][C@@H]1C[C@H](O)[C@@H](N2CCN(C(=O)N3CC[NH2+]CC3)CC2)C1 ZINC000923398310 656803948 /nfs/dbraw/zinc/80/39/48/656803948.db2.gz KLODJFCTEZQIAG-AVGNSLFASA-N 2 0 297.403 -1.520 20 0 CAADRP [NH3+]CCN(C[C@H](O)CO)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923386958 656804028 /nfs/dbraw/zinc/80/40/28/656804028.db2.gz HVNBKQZHAVNFQC-QWRGUYRKSA-N 2 0 259.350 -2.021 20 0 CAADRP CN1C(=O)[C@H]2C[N@H+](C[C@@H]3CC4(C[NH2+]C4)CO3)C[C@H]2C1=O ZINC000923413777 656804346 /nfs/dbraw/zinc/80/43/46/656804346.db2.gz IBSFQKZGKOIENX-GARJFASQSA-N 2 0 279.340 -1.089 20 0 CAADRP C[C@@H]([NH3+])C[C@@H](C)NS(=O)(=O)N1CC[NH2+]CC1 ZINC000923650946 656812219 /nfs/dbraw/zinc/81/22/19/656812219.db2.gz SCKFKCITZYGDHO-RKDXNWHRSA-N 2 0 250.368 -1.148 20 0 CAADRP COCC[N@H+](C)C[C@@H](O)CN1CCC[C@@]([NH3+])(CO)C1 ZINC000923474163 656805292 /nfs/dbraw/zinc/80/52/92/656805292.db2.gz WQVYFTWMAOSWIQ-OLZOCXBDSA-N 2 0 275.393 -1.289 20 0 CAADRP [NH3+][C@@H]1CC[C@H](C[N@@H+]2CCN3[C@H](CNS3(=O)=O)C2)C1 ZINC000923548890 656806164 /nfs/dbraw/zinc/80/61/64/656806164.db2.gz BLGJRRMGIOQIAY-HBNTYKKESA-N 2 0 274.390 -1.052 20 0 CAADRP [NH3+]CC[C@H]1CC[N@H+](CC(=O)N2CCNC(=O)C2)C1 ZINC000923487785 656806306 /nfs/dbraw/zinc/80/63/06/656806306.db2.gz NUPAXSUFMZCLGE-JTQLQIEISA-N 2 0 254.334 -1.385 20 0 CAADRP O=S1(=O)NC[C@H]2C[N@H+](CC[C@@H]3CC[NH2+]C3)CCN21 ZINC000923549207 656806489 /nfs/dbraw/zinc/80/64/89/656806489.db2.gz GHBRPDRTOUKBQU-QWRGUYRKSA-N 2 0 274.390 -1.180 20 0 CAADRP CN(CCOCC[NH3+])S(=O)(=O)[C@@H]1CCC[NH2+]C1 ZINC000923662024 656813370 /nfs/dbraw/zinc/81/33/70/656813370.db2.gz JGZSBWWCSGMQIC-SNVBAGLBSA-N 2 0 265.379 -1.025 20 0 CAADRP C[NH2+]C[C@H]1CCCN1S(=O)(=O)N1CC[NH2+]CC1 ZINC000923574086 656806789 /nfs/dbraw/zinc/80/67/89/656806789.db2.gz QZCKJAFAPHIVOX-SNVBAGLBSA-N 2 0 262.379 -1.180 20 0 CAADRP CC(C)[C@H]([NH3+])CNS(=O)(=O)N1CC[NH2+]CC1 ZINC000923572660 656806816 /nfs/dbraw/zinc/80/68/16/656806816.db2.gz KOKYKHNGLRLTRL-SECBINFHSA-N 2 0 250.368 -1.291 20 0 CAADRP O=S(=O)(NCCCN1CC[NH2+]CC1)[C@H]1CCC[NH2+]C1 ZINC000923562954 656806851 /nfs/dbraw/zinc/80/68/51/656806851.db2.gz GPTWCDWUSBEPIH-LBPRGKRZSA-N 2 0 290.433 -1.047 20 0 CAADRP O=S(=O)(NCC[C@H]1CC[NH2+]C1)N1CC[NH2+]CC1 ZINC000923568578 656806956 /nfs/dbraw/zinc/80/69/56/656806956.db2.gz GAVLBLCTNLIQOL-SNVBAGLBSA-N 2 0 262.379 -1.274 20 0 CAADRP C[C@@H]1CN(S(=O)(=O)N2CC[NH2+]CC2)CC[C@H]1[NH3+] ZINC000923568163 656806976 /nfs/dbraw/zinc/80/69/76/656806976.db2.gz FNUAUSOYEQDNFK-NXEZZACHSA-N 2 0 262.379 -1.195 20 0 CAADRP C[C@@H]([NH3+])[C@@H]1CN(S(=O)(=O)N2CC[NH2+]CC2)CCO1 ZINC000923576413 656806982 /nfs/dbraw/zinc/80/69/82/656806982.db2.gz IKGHSYWBLCFGEK-ZJUUUORDSA-N 2 0 278.378 -1.816 20 0 CAADRP [NH3+]C[C@H]1CCC[C@@H]1NS(=O)(=O)N1CC[NH2+]CC1 ZINC000923571202 656807001 /nfs/dbraw/zinc/80/70/01/656807001.db2.gz AMNGMOONBWXCHZ-ZJUUUORDSA-N 2 0 262.379 -1.147 20 0 CAADRP O=C(CNS(=O)(=O)C1C[NH2+]C1)N1CC[NH2+]CC1 ZINC000923567664 656807039 /nfs/dbraw/zinc/80/70/39/656807039.db2.gz VUWIVSZPMMOVSZ-UHFFFAOYSA-N 2 0 262.335 -2.691 20 0 CAADRP [NH3+]CC1CCN(S(=O)(=O)N2CC[NH2+]CC2)CC1 ZINC000923562429 656807118 /nfs/dbraw/zinc/80/71/18/656807118.db2.gz IZWNLFUXVMMNMQ-UHFFFAOYSA-N 2 0 262.379 -1.193 20 0 CAADRP O=C(CNS(=O)(=O)[C@@H]1CCC[NH2+]C1)N1CC[NH2+]CC1 ZINC000923565696 656807136 /nfs/dbraw/zinc/80/71/36/656807136.db2.gz DSEJTVVYBSNPDO-SNVBAGLBSA-N 2 0 290.389 -1.910 20 0 CAADRP O=S(=O)(NCCN1CC[NH2+]CC1)[C@H]1CCC[NH2+]C1 ZINC000923566501 656807188 /nfs/dbraw/zinc/80/71/88/656807188.db2.gz LXZVSVYOBHJSRI-NSHDSACASA-N 2 0 276.406 -1.437 20 0 CAADRP O=S(=O)(NCC1CC[NH2+]CC1)N1CC[NH2+]CC1 ZINC000923563897 656807207 /nfs/dbraw/zinc/80/72/07/656807207.db2.gz ZJDBNJLOBHXATL-UHFFFAOYSA-N 2 0 262.379 -1.274 20 0 CAADRP C[C@H]([NH3+])[C@@H]1CN(S(=O)(=O)N2CC[NH2+]CC2)CCO1 ZINC000923576411 656807219 /nfs/dbraw/zinc/80/72/19/656807219.db2.gz IKGHSYWBLCFGEK-UWVGGRQHSA-N 2 0 278.378 -1.816 20 0 CAADRP [NH3+]CC1(NS(=O)(=O)N2CC[NH2+]CC2)CCCC1 ZINC000923568569 656807254 /nfs/dbraw/zinc/80/72/54/656807254.db2.gz HWHZRFQTJVPEPN-UHFFFAOYSA-N 2 0 262.379 -1.003 20 0 CAADRP [NH3+]C[C@H]1CCC[C@H]1NS(=O)(=O)N1CC[NH2+]CC1 ZINC000923571197 656807264 /nfs/dbraw/zinc/80/72/64/656807264.db2.gz AMNGMOONBWXCHZ-NXEZZACHSA-N 2 0 262.379 -1.147 20 0 CAADRP CN1CCN(S(=O)(=O)[C@@H]2CCC[NH2+]C2)[C@H](C[NH3+])C1 ZINC000923577785 656807332 /nfs/dbraw/zinc/80/73/32/656807332.db2.gz VPHMQBVLEVRFPZ-GHMZBOCLSA-N 2 0 276.406 -1.357 20 0 CAADRP O=S(=O)(NC[C@@H]1CCCC[NH2+]1)N1CC[NH2+]CC1 ZINC000923566447 656807442 /nfs/dbraw/zinc/80/74/42/656807442.db2.gz NLCSNRWUBICQNZ-JTQLQIEISA-N 2 0 262.379 -1.132 20 0 CAADRP C[C@H]([NH3+])[C@H]1CN(S(=O)(=O)N2CC[NH2+]CC2)CCO1 ZINC000923576412 656807452 /nfs/dbraw/zinc/80/74/52/656807452.db2.gz IKGHSYWBLCFGEK-VHSXEESVSA-N 2 0 278.378 -1.816 20 0 CAADRP CN1CCN(S(=O)(=O)[C@H]2CCC[NH2+]C2)[C@H](C[NH3+])C1 ZINC000923577788 656807507 /nfs/dbraw/zinc/80/75/07/656807507.db2.gz VPHMQBVLEVRFPZ-MNOVXSKESA-N 2 0 276.406 -1.357 20 0 CAADRP COCC[N@@H+]1CCC[C@@H]1CNS(=O)(=O)C1C[NH2+]C1 ZINC000923606666 656809653 /nfs/dbraw/zinc/80/96/53/656809653.db2.gz ZRFCJOHLDYKLOK-SNVBAGLBSA-N 2 0 277.390 -1.012 20 0 CAADRP COCC[NH2+]CCNS(=O)(=O)[C@@H]1CCC[NH2+]C1 ZINC000923637445 656811374 /nfs/dbraw/zinc/81/13/74/656811374.db2.gz ZTCRPKHRBAZOLY-SNVBAGLBSA-N 2 0 265.379 -1.106 20 0 CAADRP O=S(=O)(N[C@H]1CCCC[NH2+]C1)N1CC[NH2+]CC1 ZINC000923640195 656811399 /nfs/dbraw/zinc/81/13/99/656811399.db2.gz DENHQQXOMVMJMN-JTQLQIEISA-N 2 0 262.379 -1.132 20 0 CAADRP C[C@@H]1[NH2+]CCN(S(=O)(=O)N2CC[NH2+]CC2)[C@H]1C ZINC000923639248 656811416 /nfs/dbraw/zinc/81/14/16/656811416.db2.gz INLJRTSLRZKGEU-UWVGGRQHSA-N 2 0 262.379 -1.181 20 0 CAADRP C[C@H]1C[C@@H](NS(=O)(=O)N2CC[NH2+]CC2)CC[NH2+]1 ZINC000923635840 656811466 /nfs/dbraw/zinc/81/14/66/656811466.db2.gz IFZVQGMXAIOVSJ-UWVGGRQHSA-N 2 0 262.379 -1.134 20 0 CAADRP C[C@@H]1[NH2+]CCC[C@H]1NS(=O)(=O)N1CC[NH2+]CC1 ZINC000923639341 656811477 /nfs/dbraw/zinc/81/14/77/656811477.db2.gz LGYIOPPQTNMBJK-VHSXEESVSA-N 2 0 262.379 -1.134 20 0 CAADRP C[C@@H]1CC[NH2+]C[C@@H]1NS(=O)(=O)N1CC[NH2+]CC1 ZINC000923639048 656811498 /nfs/dbraw/zinc/81/14/98/656811498.db2.gz WIAQRBJOBBWQOU-ZJUUUORDSA-N 2 0 262.379 -1.276 20 0 CAADRP [NH3+]CC[C@H](NS(=O)(=O)N1CC[NH2+]CC1)C(F)F ZINC000923641783 656811629 /nfs/dbraw/zinc/81/16/29/656811629.db2.gz ODURHRLCCAVBQU-ZETCQYMHSA-N 2 0 272.321 -1.292 20 0 CAADRP C[C@H]1CC[NH2+]C[C@@H]1NS(=O)(=O)N1CC[NH2+]CC1 ZINC000923639045 656811638 /nfs/dbraw/zinc/81/16/38/656811638.db2.gz WIAQRBJOBBWQOU-UWVGGRQHSA-N 2 0 262.379 -1.276 20 0 CAADRP [NH3+][C@H]1CCC[C@@H](NS(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000923635737 656811744 /nfs/dbraw/zinc/81/17/44/656811744.db2.gz PKBQPPHWXWPIGX-VHSXEESVSA-N 2 0 262.379 -1.004 20 0 CAADRP [NH3+]C[C@@H]1CN(S(=O)(=O)[C@@H]2CCC[NH2+]C2)CCO1 ZINC000923636457 656811760 /nfs/dbraw/zinc/81/17/60/656811760.db2.gz ZNMBICMRGZIRPP-NXEZZACHSA-N 2 0 263.363 -1.272 20 0 CAADRP CN([C@@H](C[NH3+])C1CC1)S(=O)(=O)N1CC[NH2+]CC1 ZINC000923640231 656811836 /nfs/dbraw/zinc/81/18/36/656811836.db2.gz JBEGQFMQDXBKKX-JTQLQIEISA-N 2 0 262.379 -1.195 20 0 CAADRP C[C@H]1C[C@H](NS(=O)(=O)N2CC[NH2+]CC2)CC[NH2+]1 ZINC000923635842 656811848 /nfs/dbraw/zinc/81/18/48/656811848.db2.gz IFZVQGMXAIOVSJ-VHSXEESVSA-N 2 0 262.379 -1.134 20 0 CAADRP O=S(=O)(N[C@@H]1CC12CC[NH2+]CC2)N1CC[NH2+]CC1 ZINC000923641476 656811919 /nfs/dbraw/zinc/81/19/19/656811919.db2.gz UUHZXXFQRDPYCK-SNVBAGLBSA-N 2 0 274.390 -1.132 20 0 CAADRP [NH3+][C@@H]1CCC[C@H](NS(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000923635739 656811974 /nfs/dbraw/zinc/81/19/74/656811974.db2.gz PKBQPPHWXWPIGX-ZJUUUORDSA-N 2 0 262.379 -1.004 20 0 CAADRP C[C@@H]1CC[NH2+]C[C@H]1NS(=O)(=O)N1CC[NH2+]CC1 ZINC000923639043 656812028 /nfs/dbraw/zinc/81/20/28/656812028.db2.gz WIAQRBJOBBWQOU-NXEZZACHSA-N 2 0 262.379 -1.276 20 0 CAADRP C[C@H]([NH3+])C[C@H](C)NS(=O)(=O)N1CC[NH2+]CC1 ZINC000923650945 656812387 /nfs/dbraw/zinc/81/23/87/656812387.db2.gz SCKFKCITZYGDHO-IUCAKERBSA-N 2 0 250.368 -1.148 20 0 CAADRP [NH3+]C[C@@H]1CC[C@@H](NS(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000923643933 656812537 /nfs/dbraw/zinc/81/25/37/656812537.db2.gz FAXVKACJBNYXLY-NXEZZACHSA-N 2 0 262.379 -1.147 20 0 CAADRP C[C@H]1C[C@@H]([NH3+])CCN1S(=O)(=O)N1CC[NH2+]CC1 ZINC000923651982 656812584 /nfs/dbraw/zinc/81/25/84/656812584.db2.gz JZPAXQBBWUUQDH-UWVGGRQHSA-N 2 0 262.379 -1.052 20 0 CAADRP C[C@@H]([NH3+])C[C@H](C)NS(=O)(=O)N1CC[NH2+]CC1 ZINC000923650943 656812610 /nfs/dbraw/zinc/81/26/10/656812610.db2.gz SCKFKCITZYGDHO-BDAKNGLRSA-N 2 0 250.368 -1.148 20 0 CAADRP C[NH2+]C[C@@H]1C[C@H](F)CN1S(=O)(=O)C1C[NH2+]C1 ZINC000923646320 656812702 /nfs/dbraw/zinc/81/27/02/656812702.db2.gz VLMBYHCBSDTZDJ-YUMQZZPRSA-N 2 0 251.327 -1.080 20 0 CAADRP CO[C@H]1CN(S(=O)(=O)N2CC[NH2+]CC2)[C@@](C)(C[NH3+])C1 ZINC000923661269 656813139 /nfs/dbraw/zinc/81/31/39/656813139.db2.gz CTNODHAZCSFDCI-GHMZBOCLSA-N 2 0 292.405 -1.426 20 0 CAADRP CO[C@H]1CN(S(=O)(=O)C2C[NH2+]C2)[C@](C)(C[NH3+])C1 ZINC000923661716 656813005 /nfs/dbraw/zinc/81/30/05/656813005.db2.gz IUZVPSVSSDYILI-SCZZXKLOSA-N 2 0 263.363 -1.274 20 0 CAADRP CC1(C)[NH2+]CC[C@H]1NS(=O)(=O)N1CC[NH2+]CC1 ZINC000923656906 656813022 /nfs/dbraw/zinc/81/30/22/656813022.db2.gz VYSSOZQKZYZGBB-SECBINFHSA-N 2 0 262.379 -1.134 20 0 CAADRP C[NH2+]CCOCCNS(=O)(=O)[C@@H]1CCC[NH2+]C1 ZINC000923662848 656813066 /nfs/dbraw/zinc/81/30/66/656813066.db2.gz TVJAVBALNFPRCZ-SNVBAGLBSA-N 2 0 265.379 -1.106 20 0 CAADRP [NH3+][C@@H]1CN(S(=O)(=O)N2CC[NH2+]CC2)CC[C@H]1F ZINC000923658672 656813146 /nfs/dbraw/zinc/81/31/46/656813146.db2.gz HQPVIYFFECCZKH-RKDXNWHRSA-N 2 0 266.342 -1.493 20 0 CAADRP CO[C@H]1CN(S(=O)(=O)C2C[NH2+]C2)[C@@](C)(C[NH3+])C1 ZINC000923661715 656813151 /nfs/dbraw/zinc/81/31/51/656813151.db2.gz IUZVPSVSSDYILI-PSASIEDQSA-N 2 0 263.363 -1.274 20 0 CAADRP C[C@H]1CC[C@H](NS(=O)(=O)N2CC[NH2+]CC2)C[NH2+]1 ZINC000923661650 656813262 /nfs/dbraw/zinc/81/32/62/656813262.db2.gz HIMMTPGPZHMCPS-UWVGGRQHSA-N 2 0 262.379 -1.134 20 0 CAADRP CO[C@@H]1CN(S(=O)(=O)C2C[NH2+]C2)[C@](C)(C[NH3+])C1 ZINC000923661718 656813306 /nfs/dbraw/zinc/81/33/06/656813306.db2.gz IUZVPSVSSDYILI-WPRPVWTQSA-N 2 0 263.363 -1.274 20 0 CAADRP C[C@H]1CN(S(=O)(=O)N2CC[NH2+]CC2)C[C@@H]1C[NH3+] ZINC000923667049 656813472 /nfs/dbraw/zinc/81/34/72/656813472.db2.gz RGJKCGJXYYYRSC-UWVGGRQHSA-N 2 0 262.379 -1.337 20 0 CAADRP [NH3+][C@]12CCC[C@@H]1CN(S(=O)(=O)N1CC[NH2+]CC1)C2 ZINC000923659628 656813509 /nfs/dbraw/zinc/81/35/09/656813509.db2.gz OOEOFGUSCOWIMG-MNOVXSKESA-N 2 0 274.390 -1.050 20 0 CAADRP CCN([C@@H]1CC[NH2+]C1)S(=O)(=O)N1CC[NH2+]CC1 ZINC000923674599 656814020 /nfs/dbraw/zinc/81/40/20/656814020.db2.gz RRCWXBGOGRLPIP-SNVBAGLBSA-N 2 0 262.379 -1.180 20 0 CAADRP C[C@@H]1C[NH2+]C[C@H]1CNS(=O)(=O)N1CC[NH2+]CC1 ZINC000923672035 656814319 /nfs/dbraw/zinc/81/43/19/656814319.db2.gz ADKJQMNERKLEKI-ZJUUUORDSA-N 2 0 262.379 -1.419 20 0 CAADRP CCO[C@@H](CNS(=O)(=O)N1CC[NH2+]CC1)C[NH+](C)C ZINC000923675502 656814419 /nfs/dbraw/zinc/81/44/19/656814419.db2.gz BEYLMNYBZHYSFA-NSHDSACASA-N 2 0 294.421 -1.307 20 0 CAADRP O=S(=O)([C@H]1CCC[NH2+]C1)N1CCNCC[NH2+]CC1 ZINC000923693559 656815694 /nfs/dbraw/zinc/81/56/94/656815694.db2.gz PUNJZHFVOPOOIC-NSHDSACASA-N 2 0 276.406 -1.437 20 0 CAADRP O=S(=O)(N1CC[NH2+]CC1)N1CCNCC[NH2+]CC1 ZINC000923691461 656815794 /nfs/dbraw/zinc/81/57/94/656815794.db2.gz FILKCBGRRSZAIE-UHFFFAOYSA-N 2 0 277.394 -2.369 20 0 CAADRP O=S(=O)(C[C@H]1C[NH2+]CCO1)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000923692270 656816005 /nfs/dbraw/zinc/81/60/05/656816005.db2.gz QVZVDYSBMOYQGO-QJPTWQEYSA-N 2 0 289.401 -1.012 20 0 CAADRP [NH3+]CC[C@@H]1CCN(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000923696831 656816045 /nfs/dbraw/zinc/81/60/45/656816045.db2.gz FKPXGCXBDZHGPA-SNVBAGLBSA-N 2 0 262.379 -1.193 20 0 CAADRP [NH3+]CC[C@H]1CCN(S(=O)(=O)C[C@H]2C[NH2+]CCO2)C1 ZINC000923697720 656816078 /nfs/dbraw/zinc/81/60/78/656816078.db2.gz AIICOXJQPIXFMO-WDEREUQCSA-N 2 0 277.390 -1.025 20 0 CAADRP O=S(=O)([C@@H]1CCC[NH2+]C1)N1CCNCC[NH2+]CC1 ZINC000923693557 656816080 /nfs/dbraw/zinc/81/60/80/656816080.db2.gz PUNJZHFVOPOOIC-LLVKDONJSA-N 2 0 276.406 -1.437 20 0 CAADRP [NH3+][C@]1(CO)CCCN(S(=O)(=O)[C@@H]2CCC[NH2+]C2)C1 ZINC000923697137 656816149 /nfs/dbraw/zinc/81/61/49/656816149.db2.gz YMPXEXWLZBTSTB-GHMZBOCLSA-N 2 0 277.390 -1.146 20 0 CAADRP C(C[N@@H+]1CC[C@@H](N[C@H]2C[NH2+]CCOC2)C1)N1CCOCC1 ZINC000925498930 656820075 /nfs/dbraw/zinc/82/00/75/656820075.db2.gz TXUMMTXAGBQENU-CABCVRRESA-N 2 0 298.431 -1.029 20 0 CAADRP C[NH+](C)[C@H]1CCN(C(=O)C(=O)N2CCC[C@]([NH3+])(CO)C2)C1 ZINC000926329169 656821625 /nfs/dbraw/zinc/82/16/25/656821625.db2.gz BZTRYRYJGBGBOQ-SMDDNHRTSA-N 2 0 298.387 -1.539 20 0 CAADRP C[NH+](C)[C@@H]1CCN(C(=O)C(=O)N2CCC[C@@]([NH3+])(CO)C2)C1 ZINC000926329168 656821826 /nfs/dbraw/zinc/82/18/26/656821826.db2.gz BZTRYRYJGBGBOQ-RISCZKNCSA-N 2 0 298.387 -1.539 20 0 CAADRP C[C@@H]1CN(C(=O)C(=O)N2CCO[C@@H](C[NH+](C)C)C2)C[C@H]1[NH3+] ZINC000926336640 656821843 /nfs/dbraw/zinc/82/18/43/656821843.db2.gz ZAAMOOHGSJICBZ-GRYCIOLGSA-N 2 0 298.387 -1.419 20 0 CAADRP C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]([NH+](C)C)C2)C[C@H]1[NH3+] ZINC000926328949 656822089 /nfs/dbraw/zinc/82/20/89/656822089.db2.gz ACWAZFJHWNGXIJ-GMTAPVOTSA-N 2 0 268.361 -1.046 20 0 CAADRP C[NH+](C)[C@H]1CCN(C(=O)C(=O)N2CCC[C@@]([NH3+])(CO)C2)C1 ZINC000926329166 656822111 /nfs/dbraw/zinc/82/21/11/656822111.db2.gz BZTRYRYJGBGBOQ-FZMZJTMJSA-N 2 0 298.387 -1.539 20 0 CAADRP CN(CC[NH+](C)C)C(=O)C(=O)NC[C@@H]1CCN1C ZINC000931877380 656850204 /nfs/dbraw/zinc/85/02/04/656850204.db2.gz HVLBESAVLHZHMO-JTQLQIEISA-N 2 0 256.350 -1.173 20 0 CAADRP O=C(NC[C@H]1C[N@H+](CCCO)C[C@@H]1O)C12CC[NH+](CC1)C2 ZINC000958595227 656975566 /nfs/dbraw/zinc/97/55/66/656975566.db2.gz PUNGIFYVPIQGHS-STQMWFEESA-N 2 0 297.399 -1.127 20 0 CAADRP O=C(NC[C@@H]1C[N@H+](CCO)C[C@@H]1O)C12CC[NH+](CC1)C2 ZINC000958594540 656976476 /nfs/dbraw/zinc/97/64/76/656976476.db2.gz JOOFQWLNDAYBLT-NEPJUHHUSA-N 2 0 283.372 -1.517 20 0 CAADRP C[C@@H](C[NH+]1CCOCC1)C(=O)N1CC[C@H]([NH2+]CC(N)=O)C1 ZINC001019780280 657279780 /nfs/dbraw/zinc/27/97/80/657279780.db2.gz RWKFKBXMIMEAES-RYUDHWBXSA-N 2 0 298.387 -1.370 20 0 CAADRP C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC(N)=O)C1 ZINC001020025959 657284730 /nfs/dbraw/zinc/28/47/30/657284730.db2.gz AXGLCWRHICNIRX-GUBZILKMSA-N 2 0 254.334 -1.197 20 0 CAADRP NC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC001020178926 657290975 /nfs/dbraw/zinc/29/09/75/657290975.db2.gz JBYKFMOWFBZSJJ-BJDJZHNGSA-N 2 0 296.371 -1.428 20 0 CAADRP C[NH+](C)CCC(=O)N[C@@H]1[C@H]2C[N@H+](CCOCCO)C[C@H]21 ZINC001114779028 782213752 /nfs/dbraw/zinc/21/37/52/782213752.db2.gz WBYWKTMGZAXUGN-IMRBUKKESA-N 2 0 285.388 -1.007 20 0 CAADRP C[C@H](O)C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001047483689 782480276 /nfs/dbraw/zinc/48/02/76/782480276.db2.gz HHOZNLKIWKDSBW-RNJOBUHISA-N 2 0 285.388 -1.035 20 0 CAADRP CN(C(=O)C1CC[NH+](C)CC1)[C@H]1C[N@H+](CCO)C[C@@H]1O ZINC001047514214 782489630 /nfs/dbraw/zinc/48/96/30/782489630.db2.gz WHFZHBPWOMCEIK-STQMWFEESA-N 2 0 285.388 -1.176 20 0 CAADRP CN(C(=O)C12CC[NH+](CC1)C2)[C@H]1C[N@H+](CCCO)C[C@@H]1O ZINC001047598337 782496374 /nfs/dbraw/zinc/49/63/74/782496374.db2.gz HFAIBUAIHCJTBZ-STQMWFEESA-N 2 0 297.399 -1.032 20 0 CAADRP CN(C(=O)C[C@H]1CC[NH+](C)C1)[C@H]1C[N@H+](CCO)C[C@@H]1O ZINC001047597865 782496549 /nfs/dbraw/zinc/49/65/49/782496549.db2.gz JLEXPIZMZQJQHJ-AGIUHOORSA-N 2 0 285.388 -1.176 20 0 CAADRP CON1CC[C@H]([N@@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)C1=O ZINC000903422458 782532326 /nfs/dbraw/zinc/53/23/26/782532326.db2.gz DJJXZHVYDHSSDN-QWRGUYRKSA-N 2 0 284.360 -1.064 20 0 CAADRP C[N@@H+]1CC[C@H](C(=O)N2C[C@@H]3C[NH+](CC(N)=O)C[C@@H]3C2)C1 ZINC001049213436 782532737 /nfs/dbraw/zinc/53/27/37/782532737.db2.gz QIDDIUKADHZGEM-SDDRHHMPSA-N 2 0 280.372 -1.186 20 0 CAADRP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](CCc1nnnn1C)C2 ZINC000903494312 782533724 /nfs/dbraw/zinc/53/37/24/782533724.db2.gz BRYDBPATCKSGAA-CWSCBRNRSA-N 2 0 294.359 -1.035 20 0 CAADRP C[C@@H]1C[N@H+](CC(=O)N2CCNC(=O)C2)C[C@H]1CC[NH3+] ZINC000903496554 782534952 /nfs/dbraw/zinc/53/49/52/782534952.db2.gz SEXILFMSRYGFTJ-GHMZBOCLSA-N 2 0 268.361 -1.139 20 0 CAADRP CS(=O)(=O)CCC(=O)N(CCCC[NH3+])C(N)=[NH2+] ZINC001142535845 775685246 /nfs/dbraw/zinc/68/52/46/775685246.db2.gz DAHVHEFXDIZAKY-UHFFFAOYSA-N 2 0 264.351 -1.118 20 0 CAADRP CC(=O)NCCOCC[NH2+]CCNC(=O)CC[NH+](C)C ZINC001133287866 776774068 /nfs/dbraw/zinc/77/40/68/776774068.db2.gz NPYDDHVIQUAAOD-UHFFFAOYSA-N 2 0 288.392 -1.203 20 0 CAADRP C[C@@H]([NH2+]CCNC(=O)C1CC[NH+](C)CC1)C(N)=O ZINC001133285753 776774092 /nfs/dbraw/zinc/77/40/92/776774092.db2.gz HFZSLJZRFOCBEH-SECBINFHSA-N 2 0 256.350 -1.092 20 0 CAADRP C[NH+](C)CCC(=O)NCC[NH2+]CCNS(C)(=O)=O ZINC001133291450 776774318 /nfs/dbraw/zinc/77/43/18/776774318.db2.gz QFSOJMHRTDPGNU-UHFFFAOYSA-N 2 0 280.394 -1.807 20 0 CAADRP C[C@H]([NH2+]CCNC(=O)CC[NH+](C)C)C(=O)NC(N)=O ZINC001133291742 776774496 /nfs/dbraw/zinc/77/44/96/776774496.db2.gz YDXINEVEJNJGPJ-QMMMGPOBSA-N 2 0 273.337 -1.773 20 0 CAADRP C[NH+]1CCC(C(=O)NCC[NH2+]CC(=O)NC(N)=O)CC1 ZINC001133281708 776774512 /nfs/dbraw/zinc/77/45/12/776774512.db2.gz ILHUPGMEUDVNGC-UHFFFAOYSA-N 2 0 285.348 -1.771 20 0 CAADRP C[NH+](C)CCC(=O)NCC[NH2+]CCN1C(=O)CNC1=O ZINC001133290733 776774661 /nfs/dbraw/zinc/77/46/61/776774661.db2.gz AACCLDJWGHSLPM-UHFFFAOYSA-N 2 0 285.348 -1.804 20 0 CAADRP CN1CC[C@@H]([NH2+]CCNC(=O)CC[NH+](C)C)C1=O ZINC001133290971 776774756 /nfs/dbraw/zinc/77/47/56/776774756.db2.gz GMEKPIFEGCJXDH-SNVBAGLBSA-N 2 0 256.350 -1.125 20 0 CAADRP [NH3+][C@H]1C[C@@H](CNC(=O)N2CCNCC[NH2+]CC2)C1 ZINC001120642577 779642898 /nfs/dbraw/zinc/64/28/98/779642898.db2.gz SABASLJKQZTYPN-PHIMTYICSA-N 2 0 255.366 -1.072 20 0 CAADRP C[NH+](C)CCNC(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001219553569 780228116 /nfs/dbraw/zinc/22/81/16/780228116.db2.gz AOFSLMRLUDQDLA-NSHDSACASA-N 3 0 257.382 -1.585 20 0 CAADRP C[C@@H]1C[NH2+]C[C@H]1CNC(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC001122226577 779662113 /nfs/dbraw/zinc/66/21/13/779662113.db2.gz IEDZQRIESKTXHV-OUAUKWLOSA-N 2 0 268.361 -1.174 20 0 CAADRP CN1CCN(C(=O)COCC[NH3+])CC[N@H+](C)CC1 ZINC001122376985 779666351 /nfs/dbraw/zinc/66/63/51/779666351.db2.gz HKKJAKWIDXAVPD-UHFFFAOYSA-N 2 0 258.366 -1.333 20 0 CAADRP [NH3+]CCOCC(=O)N1CCC(OC2C[NH2+]C2)CC1 ZINC001122386577 779666387 /nfs/dbraw/zinc/66/63/87/779666387.db2.gz LWDIONOPPIANDB-UHFFFAOYSA-N 2 0 257.334 -1.059 20 0 CAADRP [NH3+][C@H]1C[C@@H](CNS(=O)(=O)C[C@@H]2C[NH2+]CCO2)C1 ZINC001118995951 779602386 /nfs/dbraw/zinc/60/23/86/779602386.db2.gz LMRFYKFSDFAQBL-AEJSXWLSSA-N 2 0 263.363 -1.369 20 0 CAADRP CN(C1CC[NH2+]CC1)S(=O)(=O)NCCOCCC[NH3+] ZINC001118996347 779602417 /nfs/dbraw/zinc/60/24/17/779602417.db2.gz PKFPYEUFJKWIIH-UHFFFAOYSA-N 2 0 294.421 -1.130 20 0 CAADRP [NH3+][C@H]1C[C@H](O)CN(S(=O)(=O)CC2CC[NH2+]CC2)C1 ZINC001238926527 780526174 /nfs/dbraw/zinc/52/61/74/780526174.db2.gz QBQWEGXJRRIKTD-QWRGUYRKSA-N 2 0 277.390 -1.290 20 0 CAADRP [NH3+][C@@H]1C[C@@H](O)CN(S(=O)(=O)CC2CC[NH2+]CC2)C1 ZINC001238926502 780526422 /nfs/dbraw/zinc/52/64/22/780526422.db2.gz QBQWEGXJRRIKTD-GHMZBOCLSA-N 2 0 277.390 -1.290 20 0 CAADRP [NH3+][C@@H]1CN(S(=O)(=O)CC2CC[NH2+]CC2)C[C@H]1O ZINC001238937936 780526557 /nfs/dbraw/zinc/52/65/57/780526557.db2.gz GYHGLEVPZGKUIN-NXEZZACHSA-N 2 0 263.363 -1.680 20 0 CAADRP [NH3+]CCS(=O)(=O)N1CC(=O)NC2(CC[NH2+]CC2)C1 ZINC001239016672 780527067 /nfs/dbraw/zinc/52/70/67/780527067.db2.gz MZLJFNRGQYZKPB-UHFFFAOYSA-N 2 0 276.362 -2.171 20 0 CAADRP O=S(=O)(CC1CC[NH2+]CC1)N1CC[NH2+]C[C@H](O)C1 ZINC001238989233 780527162 /nfs/dbraw/zinc/52/71/62/780527162.db2.gz NERVTPNOIUCBLN-NSHDSACASA-N 2 0 277.390 -1.418 20 0 CAADRP C[NH+](C)C[C@@H]1CN(S(=O)(=O)CC[NH3+])CCO1 ZINC001238985564 780527242 /nfs/dbraw/zinc/52/72/42/780527242.db2.gz CYXUMBIEWBJVQN-SECBINFHSA-N 2 0 251.352 -1.463 20 0 CAADRP O=S(=O)(CC1CC[NH2+]CC1)N1CC2(C1)C[NH2+]CCO2 ZINC001239010101 780527486 /nfs/dbraw/zinc/52/74/86/780527486.db2.gz MTSMNAONGFFKRN-UHFFFAOYSA-N 2 0 289.401 -1.010 20 0 CAADRP O=S(=O)(CC1CC[NH2+]CC1)N1CC[NH2+]C[C@@H](O)C1 ZINC001238989229 780527632 /nfs/dbraw/zinc/52/76/32/780527632.db2.gz NERVTPNOIUCBLN-LLVKDONJSA-N 2 0 277.390 -1.418 20 0 CAADRP [NH3+]CCS(=O)(=O)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1 ZINC001239012208 780527844 /nfs/dbraw/zinc/52/78/44/780527844.db2.gz KKTXOBYOPBARHY-LLVKDONJSA-N 2 0 288.373 -2.314 20 0 CAADRP O=S(=O)([C@H]1CC[NH2+]C1)N1CCNC2(CC[NH2+]CC2)C1 ZINC001238988388 780527913 /nfs/dbraw/zinc/52/79/13/780527913.db2.gz FTXMHULEDLVXHH-NSHDSACASA-N 2 0 288.417 -1.295 20 0 CAADRP CN(C1CN(S(=O)(=O)CC[NH3+])C1)[C@H]1CCOC1 ZINC001239097608 780530006 /nfs/dbraw/zinc/53/00/06/780530006.db2.gz JOPANOWXQDOUDS-VIFPVBQESA-N 2 0 263.363 -1.320 20 0 CAADRP COC(=O)[C@H]1C[C@H]([NH3+])CN(S(=O)(=O)CC[NH3+])C1 ZINC001239088875 780530232 /nfs/dbraw/zinc/53/02/32/780530232.db2.gz NAFYSQNKDITCPZ-YUMQZZPRSA-N 2 0 265.335 -1.903 20 0 CAADRP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2S(=O)(=O)CC[NH3+] ZINC001239081070 780530665 /nfs/dbraw/zinc/53/06/65/780530665.db2.gz NHZKZOWPRSVIOZ-NWDGAFQWSA-N 2 0 290.433 -1.015 20 0 CAADRP [NH3+]CCS(=O)(=O)N1CCNCC[NH2+]CCNCC1 ZINC001239095832 780530687 /nfs/dbraw/zinc/53/06/87/780530687.db2.gz MMIYTCHXGSENNR-UHFFFAOYSA-N 2 0 279.410 -2.641 20 0 CAADRP [NH3+][C@H]1CN(S(=O)(=O)CC2CC[NH2+]CC2)C[C@H]1O ZINC001239101264 780530742 /nfs/dbraw/zinc/53/07/42/780530742.db2.gz GYHGLEVPZGKUIN-VHSXEESVSA-N 2 0 263.363 -1.680 20 0 CAADRP CN(C)S(=O)(=O)N1CC[NH2+]CCNCC[NH2+]CC1 ZINC001239094471 780530777 /nfs/dbraw/zinc/53/07/77/780530777.db2.gz WGTLZRYNOUIMEA-UHFFFAOYSA-N 2 0 279.410 -2.123 20 0 CAADRP NS(=O)(=O)N1CC[NH2+]CCNCC[NH2+]CC1 ZINC001239095433 780530821 /nfs/dbraw/zinc/53/08/21/780530821.db2.gz BMHDRICPLISKLC-UHFFFAOYSA-N 2 0 251.356 -2.726 20 0 CAADRP COC(=O)[C@H]1CN(S(=O)(=O)CC[NH3+])C[C@H]1[NH3+] ZINC001239134928 780532859 /nfs/dbraw/zinc/53/28/59/780532859.db2.gz KSINBWMCXNTOLJ-NKWVEPMBSA-N 2 0 251.308 -2.293 20 0 CAADRP COCCN([C@H]1CC[NH2+]C1)S(=O)(=O)CC[NH3+] ZINC001239135082 780533419 /nfs/dbraw/zinc/53/34/19/780533419.db2.gz USDJFZNFEVULJU-VIFPVBQESA-N 2 0 251.352 -1.415 20 0 CAADRP COCCCN([C@H]1CC[NH2+]C1)S(=O)(=O)CC[NH3+] ZINC001239168598 780534488 /nfs/dbraw/zinc/53/44/88/780534488.db2.gz CKHRYZSCSRKCRJ-JTQLQIEISA-N 2 0 265.379 -1.025 20 0 CAADRP [NH3+]CCS(=O)(=O)N1CCC(N2CC[C@@H]([NH3+])C2)CC1 ZINC001239162341 780534980 /nfs/dbraw/zinc/53/49/80/780534980.db2.gz FVSZRIRIQSRJOQ-SNVBAGLBSA-N 2 0 276.406 -1.228 20 0 CAADRP C1[NH2+]CC12C[C@@H](N1CCNC[C@@]13CC[NH2+]C3)CCN2 ZINC001246623759 780558307 /nfs/dbraw/zinc/55/83/07/780558307.db2.gz KZPBOXKADJIQPN-JSGCOSHPSA-N 2 0 265.405 -1.282 20 0 CAADRP C1[NH2+]CC12C[C@H](N1CCNC[C@]13CC[NH2+]C3)CCN2 ZINC001246623762 780558348 /nfs/dbraw/zinc/55/83/48/780558348.db2.gz KZPBOXKADJIQPN-TZMCWYRMSA-N 2 0 265.405 -1.282 20 0 CAADRP C1[NH2+]CC12C[C@H](N1CCNC[C@@]13CC[NH2+]C3)CCN2 ZINC001246623760 780558382 /nfs/dbraw/zinc/55/83/82/780558382.db2.gz KZPBOXKADJIQPN-OCCSQVGLSA-N 2 0 265.405 -1.282 20 0 CAADRP C1[NH2+]CC12C[C@@H]([N@@H+]1CCOC[C@@]3(CNCCO3)C1)CCN2 ZINC001246601125 780558908 /nfs/dbraw/zinc/55/89/08/780558908.db2.gz GWKQNTLTTFMTDT-DZGCQCFKSA-N 2 0 296.415 -1.229 20 0 CAADRP CCOC(=O)[C@@H]1C[NH2+]CCN1[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246599037 780558946 /nfs/dbraw/zinc/55/89/46/780558946.db2.gz CESDRXIMNKHQSR-NEPJUHHUSA-N 2 0 282.388 -1.083 20 0 CAADRP CN(CC[NH3+])CC[NH2+]C1CCN(S(C)(=O)=O)CC1 ZINC001257230340 780628098 /nfs/dbraw/zinc/62/80/98/780628098.db2.gz ZBXKDIHSICGYMM-UHFFFAOYSA-N 2 0 278.422 -1.110 20 0 CAADRP COC(=O)[C@H](C[NH3+])C[NH2+]C1CCN(S(C)(=O)=O)CC1 ZINC001257227159 780628180 /nfs/dbraw/zinc/62/81/80/780628180.db2.gz PVNKZAAILLRNQS-SECBINFHSA-N 2 0 293.389 -1.252 20 0 CAADRP COC(=O)CCS(=O)(=O)CC[C@H](C)[NH2+]C[C@@H](O)C[NH3+] ZINC001257915026 780630212 /nfs/dbraw/zinc/63/02/12/780630212.db2.gz KUALXQMMMRMLSK-UWVGGRQHSA-N 2 0 296.389 -1.348 20 0 CAADRP COC(=O)[C@H](CCC[NH3+])NC(=O)[C@@H]([NH3+])Cc1cncn1C ZINC001221188383 780405323 /nfs/dbraw/zinc/40/53/23/780405323.db2.gz VBABHCHKJXDFEP-QWRGUYRKSA-N 2 0 297.359 -1.313 20 0 CAADRP COC(=O)[C@H](CCC[NH3+])NC(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001221187869 780405343 /nfs/dbraw/zinc/40/53/43/780405343.db2.gz INWXPQYFCHJXHM-UHIISALHSA-N 3 0 298.387 -1.418 20 0 CAADRP COC(=O)[C@H](CCC[NH3+])NC(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001221188362 780405674 /nfs/dbraw/zinc/40/56/74/780405674.db2.gz UALQWHCGABDKTN-UWVGGRQHSA-N 3 0 274.365 -1.161 20 0 CAADRP [NH3+]CCC[C@@H]([NH3+])C(=O)NCC(=O)NCC(F)(F)F ZINC001221277906 780409646 /nfs/dbraw/zinc/40/96/46/780409646.db2.gz AVHFSGIJUBBAAA-ZCFIWIBFSA-N 2 0 270.255 -1.153 20 0 CAADRP O=C(N[C@@H]1CCCNC(=O)C1)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001221269566 780413051 /nfs/dbraw/zinc/41/30/51/780413051.db2.gz QHKMJNXZHBKQTR-JTNHKYCSSA-N 2 0 280.372 -1.030 20 0 CAADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)N[C@H]1CCCNC(=O)C1 ZINC001221269872 780413308 /nfs/dbraw/zinc/41/33/08/780413308.db2.gz ZZKDSORXNINACW-RYUDHWBXSA-N 2 0 297.403 -1.478 20 0 CAADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)N[C@@H]1CCCNC(=O)C1 ZINC001221269873 780413337 /nfs/dbraw/zinc/41/33/37/780413337.db2.gz ZZKDSORXNINACW-VXGBXAGGSA-N 2 0 297.403 -1.478 20 0 CAADRP CC1(C)[NH2+]C[C@@H](CN2CC(=O)NC[C@@]23CC[NH2+]C3)O1 ZINC001222372873 780426522 /nfs/dbraw/zinc/42/65/22/780426522.db2.gz GGIIVQVDWMEPCG-GWCFXTLKSA-N 2 0 268.361 -1.125 20 0 CAADRP O=S(=O)(N[C@H]1CC[NH2+]C[C@@H]1F)[C@H]1CC[NH2+]C1 ZINC001238087931 780512423 /nfs/dbraw/zinc/51/24/23/780512423.db2.gz YZNBRWSSNXRVOH-CIUDSAMLSA-N 2 0 251.327 -1.032 20 0 CAADRP O=S(=O)(N[C@@H]1CC[NH2+]C[C@@H]1F)[C@@H]1CC[NH2+]C1 ZINC001238058033 780512919 /nfs/dbraw/zinc/51/29/19/780512919.db2.gz YZNBRWSSNXRVOH-HRDYMLBCSA-N 2 0 251.327 -1.032 20 0 CAADRP [NH3+]CCS(=O)(=O)NCCCCN1CC[NH2+]CC1 ZINC001238074320 780513233 /nfs/dbraw/zinc/51/32/33/780513233.db2.gz KAYZORGNROHIPS-UHFFFAOYSA-N 2 0 264.395 -1.450 20 0 CAADRP O=S(=O)(CC1CC[NH2+]CC1)NCC1(O)C[NH2+]C1 ZINC001238107672 780513433 /nfs/dbraw/zinc/51/34/33/780513433.db2.gz HCOUCWRAWJWCNK-UHFFFAOYSA-N 2 0 263.363 -1.760 20 0 CAADRP O=S(=O)(NC[C@]1(O)CC[NH2+]C[C@@H]1F)C1CC[NH2+]CC1 ZINC001238064559 780513472 /nfs/dbraw/zinc/51/34/72/780513472.db2.gz RJEVJILLHXBGSA-WDEREUQCSA-N 2 0 295.380 -1.280 20 0 CAADRP [NH3+]CCS(=O)(=O)NCC[C@H]1CCOC12C[NH2+]C2 ZINC001238285447 780515385 /nfs/dbraw/zinc/51/53/85/780515385.db2.gz PDOXAILNDBSHGN-VIFPVBQESA-N 2 0 263.363 -1.367 20 0 CAADRP [NH3+]CCS(=O)(=O)N[C@@H]1CCS(=O)(=O)C12C[NH2+]C2 ZINC001238240243 780515510 /nfs/dbraw/zinc/51/55/10/780515510.db2.gz AZYLTAVXEJSWRV-SSDOTTSWSA-N 2 0 283.375 -2.606 20 0 CAADRP [NH3+]CCS(=O)(=O)NCc1nnn2c1C[NH2+]CCC2 ZINC001238248107 780515723 /nfs/dbraw/zinc/51/57/23/780515723.db2.gz PQQSSHSLBMGEFR-UHFFFAOYSA-N 2 0 274.350 -1.851 20 0 CAADRP [NH3+]CCS(=O)(=O)N[C@@H]1COC2(C1)CC[NH2+]CC2 ZINC001238271699 780515807 /nfs/dbraw/zinc/51/58/07/780515807.db2.gz OMIHFERIAUBNBS-VIFPVBQESA-N 2 0 263.363 -1.224 20 0 CAADRP CCOC(=O)C[C@@]1(NS(=O)(=O)CC[NH3+])CC[NH2+]C1 ZINC001238223479 780516240 /nfs/dbraw/zinc/51/62/40/780516240.db2.gz YLXYDLACQRZCIU-JTQLQIEISA-N 2 0 279.362 -1.450 20 0 CAADRP CCOC(=O)C[C@]1(NS(=O)(=O)CC[NH3+])CC[NH2+]C1 ZINC001238223480 780516346 /nfs/dbraw/zinc/51/63/46/780516346.db2.gz YLXYDLACQRZCIU-SNVBAGLBSA-N 2 0 279.362 -1.450 20 0 CAADRP O=S(=O)(CC1CC[NH2+]CC1)N[C@@H]1CO[C@@H]2C[NH2+]C[C@H]12 ZINC001238284800 780516385 /nfs/dbraw/zinc/51/63/85/780516385.db2.gz MYOFRXPMAAVJLL-IJLUTSLNSA-N 2 0 289.401 -1.108 20 0 CAADRP [NH3+]CCS(=O)(=O)NCc1nnc2n1CCC[NH2+]C2 ZINC001238257724 780516492 /nfs/dbraw/zinc/51/64/92/780516492.db2.gz YJDDYIXLIFPDOR-UHFFFAOYSA-N 2 0 274.350 -1.851 20 0 CAADRP COC(=O)C1(NS(=O)(=O)CC[NH3+])CC[NH2+]CC1 ZINC001238398394 780518513 /nfs/dbraw/zinc/51/85/13/780518513.db2.gz JFAUVYJGPSLKQQ-UHFFFAOYSA-N 2 0 265.335 -1.840 20 0 CAADRP O=S(=O)(CC1CC[NH2+]CC1)NC[C@@H]1CC[NH2+]C[C@H]1O ZINC001238522467 780518547 /nfs/dbraw/zinc/51/85/47/780518547.db2.gz FMEGDLBGXZAMDN-NWDGAFQWSA-N 2 0 291.417 -1.124 20 0 CAADRP O=S(=O)(NC1CN(C2CC[NH2+]CC2)C1)[C@H]1CC[NH2+]C1 ZINC001238476514 780518662 /nfs/dbraw/zinc/51/86/62/780518662.db2.gz ZTIKPNBHKIKCFE-LBPRGKRZSA-N 2 0 288.417 -1.296 20 0 CAADRP CCOC(=O)CC1(NS(=O)(=O)CC[NH3+])C[NH2+]C1 ZINC001238542065 780518784 /nfs/dbraw/zinc/51/87/84/780518784.db2.gz NHDOUMODRJZCAL-UHFFFAOYSA-N 2 0 265.335 -1.840 20 0 CAADRP O=S(=O)(CC1CC[NH2+]CC1)NC[C@]1(O)CC[NH2+]C1 ZINC001238469159 780518809 /nfs/dbraw/zinc/51/88/09/780518809.db2.gz GAWTUOAYAXJREW-NSHDSACASA-N 2 0 277.390 -1.370 20 0 CAADRP [NH3+]CCS(=O)(=O)NC[C@@H](O)C1CC[NH2+]CC1 ZINC001238514648 780519153 /nfs/dbraw/zinc/51/91/53/780519153.db2.gz YZIBFKJYLXGTFQ-SECBINFHSA-N 2 0 251.352 -1.775 20 0 CAADRP COC[C@H]([NH3+])CNS(=O)(=O)CC1CC[NH2+]CC1 ZINC001238529188 780519172 /nfs/dbraw/zinc/51/91/72/780519172.db2.gz WTLWFSJOVBVAFS-SNVBAGLBSA-N 2 0 265.379 -1.121 20 0 CAADRP O=S(=O)(CC1CC[NH2+]CC1)N[C@@H]1CC[NH2+]C[C@@H]1O ZINC001238483006 780519233 /nfs/dbraw/zinc/51/92/33/780519233.db2.gz NWOLFIBXXPBFHE-MNOVXSKESA-N 2 0 277.390 -1.372 20 0 CAADRP [NH3+]CCS(=O)(=O)N[C@@H]1CO[C@]2(C1)CCC[NH2+]C2 ZINC001238540267 780519455 /nfs/dbraw/zinc/51/94/55/780519455.db2.gz CQCFHYGTAKGGOC-UWVGGRQHSA-N 2 0 263.363 -1.224 20 0 CAADRP O=S(=O)(N[C@@H]1C[NH2+]C[C@H]1CO)C1CC[NH2+]CC1 ZINC001238647068 780521497 /nfs/dbraw/zinc/52/14/97/780521497.db2.gz VMGDWOQWCHPXBD-WCBMZHEXSA-N 2 0 263.363 -1.762 20 0 CAADRP CCOC(=O)C1(CNS(=O)(=O)CC[NH3+])CC[NH2+]CC1 ZINC001238697114 780521854 /nfs/dbraw/zinc/52/18/54/780521854.db2.gz OXXRBJIBXYBNBQ-UHFFFAOYSA-N 2 0 293.389 -1.203 20 0 CAADRP O=S(=O)(CC1CC[NH2+]CC1)N[C@@H]1C[NH2+]C[C@H]1CO ZINC001238642704 780521879 /nfs/dbraw/zinc/52/18/79/780521879.db2.gz BTBAACXQLOLJAV-WDEREUQCSA-N 2 0 277.390 -1.514 20 0 CAADRP [NH3+]CCS(=O)(=O)NCCN1CCC[C@@H](O)C1 ZINC001238681861 780522106 /nfs/dbraw/zinc/52/21/06/780522106.db2.gz RFYBTKYGSKWJBR-SECBINFHSA-N 2 0 251.352 -1.679 20 0 CAADRP [NH3+]CCS(=O)(=O)N1CCC[C@@](O)(C[NH3+])CC1 ZINC001238932944 780524344 /nfs/dbraw/zinc/52/43/44/780524344.db2.gz CADMIZUGNODYPC-VIFPVBQESA-N 2 0 251.352 -1.549 20 0 CAADRP [NH3+]CCNCCNS(=O)(=O)C1CC[NH2+]CC1 ZINC001238839959 780524413 /nfs/dbraw/zinc/52/44/13/780524413.db2.gz XLIUOYADFCAPNS-UHFFFAOYSA-N 2 0 250.368 -1.794 20 0 CAADRP O=S(=O)(CC1CC[NH2+]CC1)NC[C@@H]1C[NH2+]CCN1 ZINC001238901724 780524477 /nfs/dbraw/zinc/52/44/77/780524477.db2.gz DHWYVUBHGMXSGG-NSHDSACASA-N 2 0 276.406 -1.533 20 0 CAADRP [NH3+]CCCC[NH2+]CCCNS(=O)(=O)[C@@H]1CC[NH2+]C1 ZINC001238880071 780524526 /nfs/dbraw/zinc/52/45/26/780524526.db2.gz UOLLBHBAIGVEEI-LLVKDONJSA-N 3 0 278.422 -1.014 20 0 CAADRP COC(=O)[C@H](CCC[NH3+])NS(=O)(=O)[C@H]1CC[NH2+]C1 ZINC001238837775 780525073 /nfs/dbraw/zinc/52/50/73/780525073.db2.gz VUVLPAVNTQIQMP-IUCAKERBSA-N 2 0 279.362 -1.452 20 0 CAADRP O=S(=O)(N[C@@H]1C[NH2+]CC[C@H]1F)[C@H]1CC[NH2+]C1 ZINC001238904473 780525280 /nfs/dbraw/zinc/52/52/80/780525280.db2.gz QKNRBYXFDVUHQP-DJLDLDEBSA-N 2 0 251.327 -1.032 20 0 CAADRP [NH3+]CCCC[NH2+]CCCNS(=O)(=O)[C@H]1CC[NH2+]C1 ZINC001238880072 780525300 /nfs/dbraw/zinc/52/53/00/780525300.db2.gz UOLLBHBAIGVEEI-NSHDSACASA-N 3 0 278.422 -1.014 20 0 CAADRP [NH3+]CCC[NH2+]CCCNS(=O)(=O)C1CC[NH2+]CC1 ZINC001238878474 780525393 /nfs/dbraw/zinc/52/53/93/780525393.db2.gz GNTHAGBHAGSELD-UHFFFAOYSA-N 3 0 278.422 -1.014 20 0 CAADRP [NH3+]C[C@@]1(O)CCCN(S(=O)(=O)[C@@H]2CC[NH2+]C2)CC1 ZINC001238934664 780525663 /nfs/dbraw/zinc/52/56/63/780525663.db2.gz MGXACHDYRCPYCR-GHMZBOCLSA-N 2 0 277.390 -1.146 20 0 CAADRP CNC(=O)[C@H](CCCC[NH3+])NS(=O)(=O)[C@@H]1CC[NH2+]C1 ZINC001238918910 780525733 /nfs/dbraw/zinc/52/57/33/780525733.db2.gz XIRUOZDEFNNMMC-ZJUUUORDSA-N 2 0 292.405 -1.489 20 0 CAADRP [NH3+][C@@H]1CN(S(=O)(=O)CC2CC[NH2+]CC2)CC[C@H]1O ZINC001238958823 780525846 /nfs/dbraw/zinc/52/58/46/780525846.db2.gz SGLDSRSJTZEEMJ-GHMZBOCLSA-N 2 0 277.390 -1.290 20 0 CAADRP [NH3+]CCS(=O)(=O)N1CCC[C@](O)(C[NH3+])CC1 ZINC001238932932 780525899 /nfs/dbraw/zinc/52/58/99/780525899.db2.gz CADMIZUGNODYPC-SECBINFHSA-N 2 0 251.352 -1.549 20 0 CAADRP [NH3+]CC(=O)NCC(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC001261459425 780663769 /nfs/dbraw/zinc/66/37/69/780663769.db2.gz MDBQBVCZRDZUCM-LLVKDONJSA-N 2 0 268.361 -1.091 20 0 CAADRP [NH3+]CCN1CCC[C@@H](C(=O)N2CC[C@H](C[NH3+])C2)C1=O ZINC001262553953 780716302 /nfs/dbraw/zinc/71/63/02/780716302.db2.gz OHIYWEGREKEHJN-GHMZBOCLSA-N 2 0 268.361 -1.009 20 0 CAADRP COC(=O)[C@H]1C[N@@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)CCO1 ZINC001246565113 781455040 /nfs/dbraw/zinc/45/50/40/781455040.db2.gz ACEWGEIMMGLFCK-GHMZBOCLSA-N 2 0 269.345 -1.046 20 0 CAADRP [NH3+]C[C@H](O)CC(=O)NCCCC[NH+]1CCOCC1 ZINC001263095156 780719565 /nfs/dbraw/zinc/71/95/65/780719565.db2.gz FKSDLEWBQCJJOF-LLVKDONJSA-N 2 0 259.350 -1.075 20 0 CAADRP COCC[NH+]1CCC(NC(=O)C[C@@H](O)C[NH3+])CC1 ZINC001263097116 780719583 /nfs/dbraw/zinc/71/95/83/780719583.db2.gz MZGXMBSZXVHPTF-LLVKDONJSA-N 2 0 259.350 -1.077 20 0 CAADRP C[NH2+]C[C@@H](O)[C@H](C)C(=O)NCCCN1CC[NH+](C)CC1 ZINC001263103367 780720283 /nfs/dbraw/zinc/72/02/83/780720283.db2.gz XFBVVOKCAFPNGK-QWHCGFSZSA-N 2 0 286.420 -1.044 20 0 CAADRP C[NH2+]C[C@H](O)CN(C)C(=O)CO[C@H]1CCC[NH2+]C1 ZINC001263170493 780723880 /nfs/dbraw/zinc/72/38/80/780723880.db2.gz RDBGNEPKKRTREP-QWRGUYRKSA-N 2 0 259.350 -1.206 20 0 CAADRP CN1C(=O)CN(CC(=O)NCCN2CCC([NH3+])CC2)C1=O ZINC001263191985 780723894 /nfs/dbraw/zinc/72/38/94/780723894.db2.gz ISYIIOMEKTVEDJ-UHFFFAOYSA-N 2 0 297.359 -1.580 20 0 CAADRP CO[C@@H](C[NH3+])C(=O)NC[C@H]1C[N@@H+]2CCN1CCC2 ZINC000394382026 782760541 /nfs/dbraw/zinc/76/05/41/782760541.db2.gz OWGOCDIZUCXUTE-QWRGUYRKSA-N 2 0 256.350 -1.534 20 0 CAADRP C[NH+](C)C1(CNS(=O)(=O)N2CC[NH2+]CC2)CC1 ZINC000398004397 782785069 /nfs/dbraw/zinc/78/50/69/782785069.db2.gz VAACGKMKCQGMPS-UHFFFAOYSA-N 2 0 262.379 -1.180 20 0 CAADRP C[NH+](C)CCC(=O)N[C@H]1CC[N@H+](CCO)C[C@H]1O ZINC001099988124 782847272 /nfs/dbraw/zinc/84/72/72/782847272.db2.gz CMMQLILGXWMAHX-WDEREUQCSA-N 2 0 259.350 -1.518 20 0 CAADRP C[NH+](C)CC1(C(=O)N[C@H]2CC[N@H+](CCO)C[C@H]2O)CC1 ZINC001099971880 782844829 /nfs/dbraw/zinc/84/48/29/782844829.db2.gz NQAIKMNRHMXHEJ-NWDGAFQWSA-N 2 0 285.388 -1.128 20 0 CAADRP C[NH+](C)CCC(=O)N[C@H]1CC[N@H+](CCO)C[C@@H]1O ZINC001099988123 782847500 /nfs/dbraw/zinc/84/75/00/782847500.db2.gz CMMQLILGXWMAHX-QWRGUYRKSA-N 2 0 259.350 -1.518 20 0 CAADRP C[NH+](C)CC1(C(=O)N[C@@H]2CC[N@H+](CCO)C[C@H]2O)CC1 ZINC001099971882 782846068 /nfs/dbraw/zinc/84/60/68/782846068.db2.gz NQAIKMNRHMXHEJ-VXGBXAGGSA-N 2 0 285.388 -1.128 20 0 CAADRP C[NH+](C)CCC(=O)N[C@@H]1CC[N@H+](CCCO)C[C@@H]1O ZINC001099988253 782847812 /nfs/dbraw/zinc/84/78/12/782847812.db2.gz FVWGTARKHQXXAQ-NEPJUHHUSA-N 2 0 273.377 -1.128 20 0 CAADRP CC[NH+](CC)CC(=O)N[C@H]1CC[N@H+](CCO)C[C@@H]1O ZINC001100042087 782848285 /nfs/dbraw/zinc/84/82/85/782848285.db2.gz SVELYLIISDMRHU-RYUDHWBXSA-N 2 0 273.377 -1.128 20 0 CAADRP CC[NH+](CC)CC(=O)N[C@@H]1CC[N@H+](CCO)C[C@@H]1O ZINC001100042085 782848724 /nfs/dbraw/zinc/84/87/24/782848724.db2.gz SVELYLIISDMRHU-NEPJUHHUSA-N 2 0 273.377 -1.128 20 0 CAADRP CC[NH+](CC)CC(=O)N[C@H]1CC[N@H+](CCO)C[C@H]1O ZINC001100042086 782848851 /nfs/dbraw/zinc/84/88/51/782848851.db2.gz SVELYLIISDMRHU-NWDGAFQWSA-N 2 0 273.377 -1.128 20 0 CAADRP C[NH+](C)CCOCC(=O)N[C@H]1CC[N@H+](CCO)C[C@H]1O ZINC001100074268 782850756 /nfs/dbraw/zinc/85/07/56/782850756.db2.gz KPEQMVQZGCDLGV-NWDGAFQWSA-N 2 0 289.376 -1.892 20 0 CAADRP CC[N@H+](C)CCC(=O)N[C@H]1CC[NH+](CCO)C[C@H]1O ZINC001100067429 782850954 /nfs/dbraw/zinc/85/09/54/782850954.db2.gz RMAWJWFVYVUYRH-NWDGAFQWSA-N 2 0 273.377 -1.128 20 0 CAADRP C[NH+](C)CCOCC(=O)N[C@H]1CC[N@H+](CCO)C[C@@H]1O ZINC001100074269 782851073 /nfs/dbraw/zinc/85/10/73/782851073.db2.gz KPEQMVQZGCDLGV-RYUDHWBXSA-N 2 0 289.376 -1.892 20 0 CAADRP CCC[N@H+](C)CC(=O)N[C@@H]1CC[NH+](CCO)C[C@@H]1O ZINC001100080124 782851761 /nfs/dbraw/zinc/85/17/61/782851761.db2.gz DURPOJVYQATREV-NEPJUHHUSA-N 2 0 273.377 -1.128 20 0 CAADRP C[NH+](C)CCOCC(=O)N[C@@H]1CC[N@H+](CCO)C[C@@H]1O ZINC001100074267 782851967 /nfs/dbraw/zinc/85/19/67/782851967.db2.gz KPEQMVQZGCDLGV-NEPJUHHUSA-N 2 0 289.376 -1.892 20 0 CAADRP C[NH+](C)CCC(=O)NCC1CC([NH2+]CC(N)=O)C1 ZINC001100637446 782860819 /nfs/dbraw/zinc/86/08/19/782860819.db2.gz ROEPAGGKSOEBLO-UHFFFAOYSA-N 2 0 256.350 -1.092 20 0 CAADRP C[NH+](C)CCOCC(=O)NCC1CC([NH2+]CC(N)=O)C1 ZINC001100870924 782862977 /nfs/dbraw/zinc/86/29/77/782862977.db2.gz SGQFBUOPSFMUGX-UHFFFAOYSA-N 2 0 286.376 -1.466 20 0 CAADRP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2[C@H]3C[NH+](CCOCCO)C[C@H]32)C1 ZINC001115241924 782880566 /nfs/dbraw/zinc/88/05/66/782880566.db2.gz RMCKKPSMYVEALJ-IGQOVBAYSA-N 2 0 297.399 -1.007 20 0 CAADRP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2[C@H]3C[NH+](CCOCCO)C[C@H]32)C1 ZINC001115241925 782880865 /nfs/dbraw/zinc/88/08/65/782880865.db2.gz RMCKKPSMYVEALJ-MQYQWHSLSA-N 2 0 297.399 -1.007 20 0 CAADRP [NH3+][C@H]1CN(c2cncc(N3CC[NH2+]CC3)n2)C[C@H]1O ZINC001167089043 775115387 /nfs/dbraw/zinc/11/53/87/775115387.db2.gz ODYQXSFIZHHORC-VHSXEESVSA-N 2 0 264.333 -1.606 20 0 CAADRP COCC[N@H+](C)C[C@H](O)CN1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000382382047 775196859 /nfs/dbraw/zinc/19/68/59/775196859.db2.gz RNVWLIXNNZQXKW-AVGNSLFASA-N 2 0 275.393 -1.027 20 0 CAADRP COCC[N@H+](C)C[C@H](O)CN1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000382382051 775197303 /nfs/dbraw/zinc/19/73/03/775197303.db2.gz RNVWLIXNNZQXKW-RWMBFGLXSA-N 2 0 275.393 -1.027 20 0 CAADRP CNC(=O)NC(=O)C[NH2+]CCN(C)C(=O)C[NH+]1CCCC1 ZINC001267081543 775200197 /nfs/dbraw/zinc/20/01/97/775200197.db2.gz MQMIIGHQEYABLQ-UHFFFAOYSA-N 2 0 299.375 -1.414 20 0 CAADRP Cc1nccn1CC(=O)NCCN(C)CC(N)=O ZINC001267230012 775218193 /nfs/dbraw/zinc/21/81/93/775218193.db2.gz DYBRTJHQOQKMPW-UHFFFAOYSA-N 2 0 253.306 -1.275 20 0 CAADRP C[C@@H](O)[C@@H](CO)NC(=O)[C@@H]([NH3+])CSCC[NH3+] ZINC001219557781 775289225 /nfs/dbraw/zinc/28/92/25/775289225.db2.gz DFXNUZRYTIFEMG-GJMOJQLCSA-N 2 0 251.352 -2.137 20 0 CAADRP CNC(=O)C[NH2+]CCN(CCO)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001279672161 775241907 /nfs/dbraw/zinc/24/19/07/775241907.db2.gz FACUPROBQPZTGR-NSHDSACASA-N 2 0 286.376 -1.763 20 0 CAADRP CN(CC[NH2+]CC(N)=O)C(=O)COC1CC[NH+](C)CC1 ZINC001267447074 775245704 /nfs/dbraw/zinc/24/57/04/775245704.db2.gz IOXAINBZFHQSNO-UHFFFAOYSA-N 2 0 286.376 -1.370 20 0 CAADRP C[C@H](C[NH+]1CCOCC1)C(=O)N(C)CC[NH2+]CCO ZINC001267469581 775248890 /nfs/dbraw/zinc/24/88/90/775248890.db2.gz QXPNDXNWKNWXAR-GFCCVEGCSA-N 2 0 273.377 -1.005 20 0 CAADRP CN(CCNCc1nc(=O)n(C)[nH]1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001267469986 775249407 /nfs/dbraw/zinc/24/94/07/775249407.db2.gz RTHRVBBIILTZQQ-JTQLQIEISA-N 2 0 296.375 -1.392 20 0 CAADRP O=C(C[NH+]1CCCC1)N1CCO[C@@H]2CN(CCO)C[C@@H]21 ZINC001083275332 775255090 /nfs/dbraw/zinc/25/50/90/775255090.db2.gz YGCOGFGJMOHSKD-QWHCGFSZSA-N 2 0 283.372 -1.014 20 0 CAADRP C[NH+](C)CCN(C(=O)[C@H]1C[C@@H](O)C[NH2+]1)[C@H]1CCC[NH2+]C1 ZINC001161447624 775284259 /nfs/dbraw/zinc/28/42/59/775284259.db2.gz YFQSGNNSONCMIC-YNEHKIRRSA-N 3 0 284.404 -1.149 20 0 CAADRP C[NH+](C)CCN(C(=O)[C@H]1[NH2+]CC[C@@H]1O)[C@H]1CCC[NH2+]C1 ZINC001161448502 775284267 /nfs/dbraw/zinc/28/42/67/775284267.db2.gz DGOWOADUQPHRRL-AVGNSLFASA-N 3 0 284.404 -1.149 20 0 CAADRP CC[N@H+](C)C[C@@H](O)CN1CCC(O)(C(N)=O)CC1 ZINC000311021121 775287215 /nfs/dbraw/zinc/28/72/15/775287215.db2.gz LSPJZFZIZKDJAR-SNVBAGLBSA-N 2 0 259.350 -1.389 20 0 CAADRP O=C(NC[C@]1(O)CC[NH2+]C[C@@H]1F)[C@@H]1C[NH2+]CC[C@H]1O ZINC001219617924 775289266 /nfs/dbraw/zinc/28/92/66/775289266.db2.gz QZGSFHONMCVORX-MWGHHZFTSA-N 2 0 275.324 -1.865 20 0 CAADRP O=C(NC[C@]1(O)CC[NH2+]C[C@@H]1F)[C@H]1C[NH2+]CC[C@@H]1O ZINC001219617925 775290316 /nfs/dbraw/zinc/29/03/16/775290316.db2.gz QZGSFHONMCVORX-QFOLPQNPSA-N 2 0 275.324 -1.865 20 0 CAADRP O=C(NC[C@]1(O)CC[NH2+]C[C@@H]1F)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC001219617396 775290526 /nfs/dbraw/zinc/29/05/26/775290526.db2.gz MKIPEDJMZIJNLR-ZXUATJPGSA-N 2 0 257.309 -1.085 20 0 CAADRP O=C(Cn1ccnc1)N1CCO[C@@H]2CN(CCO)C[C@@H]21 ZINC001083290702 775291022 /nfs/dbraw/zinc/29/10/22/775291022.db2.gz QITMBANOSORMQA-NWDGAFQWSA-N 2 0 280.328 -1.213 20 0 CAADRP O=C(NCC[C@@H]1CCOC12C[NH2+]C2)[C@@H]1C[C@H](O)C[NH2+]1 ZINC001219800219 775291512 /nfs/dbraw/zinc/29/15/12/775291512.db2.gz HXXKHGYRJWTWQU-VWYCJHECSA-N 2 0 269.345 -1.406 20 0 CAADRP O=C(NCC[C@@H]1CCOC12C[NH2+]C2)[C@H]1C[C@@H](O)C[NH2+]1 ZINC001219800217 775291602 /nfs/dbraw/zinc/29/16/02/775291602.db2.gz HXXKHGYRJWTWQU-GMTAPVOTSA-N 2 0 269.345 -1.406 20 0 CAADRP O=C(NCC[C@H]1CCOC12C[NH2+]C2)[C@@H]1C[C@H](O)C[NH2+]1 ZINC001219800216 775291614 /nfs/dbraw/zinc/29/16/14/775291614.db2.gz HXXKHGYRJWTWQU-DCAQKATOSA-N 2 0 269.345 -1.406 20 0 CAADRP C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)NC1(C[NH3+])COC1 ZINC001220156836 775293976 /nfs/dbraw/zinc/29/39/76/775293976.db2.gz MQOOHSRZCQJQIZ-BQBZGAKWSA-N 2 0 260.294 -3.345 20 0 CAADRP O=C(NC1(CCO)COC1)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001220172790 775294786 /nfs/dbraw/zinc/29/47/86/775294786.db2.gz BNRVYVVMLZABCK-ZWNOBZJWSA-N 2 0 269.345 -1.547 20 0 CAADRP CC(C)N1CC(NC(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)C1 ZINC001220159148 775294841 /nfs/dbraw/zinc/29/48/41/775294841.db2.gz NCOIUOXDDAZKHE-CYBMUJFWSA-N 2 0 283.420 -1.054 20 0 CAADRP O=C(N[C@H]1CCC[NH2+]C1)[C@@H]1NC(=O)CC12C[NH2+]C2 ZINC001220884528 775298378 /nfs/dbraw/zinc/29/83/78/775298378.db2.gz GBSAQUPANFJQQG-WPRPVWTQSA-N 2 0 252.318 -1.667 20 0 CAADRP COC(=O)[C@]12CC[NH2+][C@@H]1CN(C(=O)[C@@]1(N)CC[NH2+]C1)CC2 ZINC001161476445 775298518 /nfs/dbraw/zinc/29/85/18/775298518.db2.gz AWFGPIBSTIVXNX-DDTOSNHZSA-N 2 0 296.371 -1.569 20 0 CAADRP O=C(N[C@@H]1CCC[NH2+]C1)[C@@H]1CCS(=O)(=O)C12C[NH2+]C2 ZINC001220885032 775298996 /nfs/dbraw/zinc/29/89/96/775298996.db2.gz WHRQTMUNVJOOET-ZJUUUORDSA-N 2 0 287.385 -1.369 20 0 CAADRP CNC(=O)CN1CC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001267749974 775299204 /nfs/dbraw/zinc/29/92/04/775299204.db2.gz VVLYSVGJKWQWMK-SNVBAGLBSA-N 2 0 256.350 -1.125 20 0 CAADRP COC(=O)[C@]12CC[NH2+][C@H]1CN(C(=O)[C@H]1C[NH2+]C[C@@H]1N)CC2 ZINC001161476431 775299301 /nfs/dbraw/zinc/29/93/01/775299301.db2.gz AQEIQNUWZZABFF-RMIALFOJSA-N 2 0 296.371 -1.713 20 0 CAADRP COC(=O)[C@]12CC[NH2+][C@H]1CN(C(=O)[C@]1(N)CC[NH2+]C1)CC2 ZINC001161476444 775299647 /nfs/dbraw/zinc/29/96/47/775299647.db2.gz AWFGPIBSTIVXNX-BPNCWPANSA-N 2 0 296.371 -1.569 20 0 CAADRP O=C(N[C@@H]1CCC[NH2+]C1)[C@H]1CCS(=O)(=O)C12C[NH2+]C2 ZINC001220885029 775299873 /nfs/dbraw/zinc/29/98/73/775299873.db2.gz WHRQTMUNVJOOET-NXEZZACHSA-N 2 0 287.385 -1.369 20 0 CAADRP [NH3+][C@@H](C(=O)NC[C@@H]1CNC(=O)O1)C1CC[NH2+]CC1 ZINC001221370799 775301346 /nfs/dbraw/zinc/30/13/46/775301346.db2.gz UIVVVIVEOASPGY-RKDXNWHRSA-N 2 0 256.306 -1.462 20 0 CAADRP C[N@H+](C1CN(C(=O)[C@@H]2C[NH2+]C[C@@H]2O)C1)[C@H]1CCOC1 ZINC001161497767 775317164 /nfs/dbraw/zinc/31/71/64/775317164.db2.gz DGGICGJJCOTFID-WCQGTBRESA-N 2 0 269.345 -1.502 20 0 CAADRP C[N@H+](C1CN(C(=O)[C@@H]2C[NH2+]C[C@H]2O)C1)[C@H]1CCOC1 ZINC001161497766 775318443 /nfs/dbraw/zinc/31/84/43/775318443.db2.gz DGGICGJJCOTFID-MVWJERBFSA-N 2 0 269.345 -1.502 20 0 CAADRP C[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)C[NH2+]CC(N)=O ZINC001267982537 775321732 /nfs/dbraw/zinc/32/17/32/775321732.db2.gz WFBJXSLIDYCHIU-UWVGGRQHSA-N 2 0 256.350 -1.092 20 0 CAADRP C[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)C[NH2+]CC(N)=O ZINC001267982539 775323488 /nfs/dbraw/zinc/32/34/88/775323488.db2.gz WFBJXSLIDYCHIU-ZJUUUORDSA-N 2 0 256.350 -1.092 20 0 CAADRP C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)C[NH2+]CC(N)=O ZINC001268013891 775330079 /nfs/dbraw/zinc/33/00/79/775330079.db2.gz HAAMCVIXWGRNJZ-ZJUUUORDSA-N 2 0 256.350 -1.235 20 0 CAADRP C[S@@](=O)CC[C@H]([NH3+])C(=O)N1C[C@@H]([NH3+])C2(COC2)C1 ZINC001161508198 775350592 /nfs/dbraw/zinc/35/05/92/775350592.db2.gz CAYRJZJYCHCMCV-IDJBCLPUSA-N 2 0 275.374 -1.732 20 0 CAADRP [NH3+]CCc1nnn(-c2nccc(N3CC[NH2+]CC3)n2)n1 ZINC001167787561 775359523 /nfs/dbraw/zinc/35/95/23/775359523.db2.gz BLGWBIYFQUKNQV-UHFFFAOYSA-N 2 0 275.320 -1.637 20 0 CAADRP O=C([C@H]1COC2(C[NH2+]C2)CN1)N1CC[NH2+]C2(CC2)C1 ZINC001161544715 775361376 /nfs/dbraw/zinc/36/13/76/775361376.db2.gz GEMIAUXHQNWGAX-SNVBAGLBSA-N 2 0 266.345 -1.719 20 0 CAADRP C[C@@H]1CN(c2ccc(-n3nnc(CC[NH3+])n3)nn2)CC[NH2+]1 ZINC001167790717 775361793 /nfs/dbraw/zinc/36/17/93/775361793.db2.gz CVGOIQKZEIRRBO-SECBINFHSA-N 2 0 289.347 -1.248 20 0 CAADRP [NH3+]CCc1nnn(-c2ncccc2N2CC[NH2+]CC2)n1 ZINC001167790980 775364289 /nfs/dbraw/zinc/36/42/89/775364289.db2.gz GMGJPLSNXMIWMY-UHFFFAOYSA-N 2 0 274.332 -1.032 20 0 CAADRP COCC[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001268294734 775392853 /nfs/dbraw/zinc/39/28/53/775392853.db2.gz AMRUCRRRKHYXSY-GHMZBOCLSA-N 2 0 259.350 -1.206 20 0 CAADRP COCC[NH2+]C[C@H](O)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001268294747 775392991 /nfs/dbraw/zinc/39/29/91/775392991.db2.gz AMRUCRRRKHYXSY-WDEREUQCSA-N 2 0 259.350 -1.206 20 0 CAADRP C[N@@H+]1CC[C@H](C(=O)NC[C@@H](O)C[NH2+]CCCO)C1 ZINC001268335762 775408242 /nfs/dbraw/zinc/40/82/42/775408242.db2.gz OZVGFLALASIDEY-QWRGUYRKSA-N 2 0 259.350 -1.613 20 0 CAADRP [NH3+]C[C@]1(F)CCN(C(=O)[C@H]2COC3(C[NH2+]C3)CN2)C1 ZINC001161239540 775415268 /nfs/dbraw/zinc/41/52/68/775415268.db2.gz MPAVMMRUZMFDJP-MWLCHTKSSA-N 2 0 272.324 -1.784 20 0 CAADRP CCN(CC[NH2+]CC(N)=O)C(=O)[C@H]1CN(CC)CCO1 ZINC001268500995 775424585 /nfs/dbraw/zinc/42/45/85/775424585.db2.gz UDLSWIPQDAYJIM-LLVKDONJSA-N 2 0 286.376 -1.370 20 0 CAADRP C[C@@H](C[NH2+][C@H]1CCNC1=O)NC(=O)CC[NH+](C)C ZINC001268700635 775469774 /nfs/dbraw/zinc/46/97/74/775469774.db2.gz MHHFEWNDDZQHQI-UWVGGRQHSA-N 2 0 256.350 -1.079 20 0 CAADRP CN(CC(=O)N1CC2(CCN2CC[NH+](C)C)C1)C(N)=[NH2+] ZINC001268997009 775481165 /nfs/dbraw/zinc/48/11/65/775481165.db2.gz RVQJXMHUKNNMED-UHFFFAOYSA-N 2 0 282.392 -1.340 20 0 CAADRP CN(CC(=O)N1C[C@@H]2C[C@H]1CN(CC[NH+](C)C)C2)C(N)=[NH2+] ZINC001268997288 775482729 /nfs/dbraw/zinc/48/27/29/775482729.db2.gz YNXCGKQEGHTDLG-NEPJUHHUSA-N 2 0 296.419 -1.094 20 0 CAADRP CN(CC(=O)N1[C@@H]2C[C@H]1CN(CC[NH+](C)C)C2)C(N)=[NH2+] ZINC001268997235 775482839 /nfs/dbraw/zinc/48/28/39/775482839.db2.gz XRFAWYINNQSXDN-PHIMTYICSA-N 2 0 282.392 -1.342 20 0 CAADRP CN1CCO[C@H](C(=O)N[C@@H](C[NH2+]CCO)C2CC2)C1 ZINC001269055715 775487163 /nfs/dbraw/zinc/48/71/63/775487163.db2.gz FSFMGDACJYZZFK-RYUDHWBXSA-N 2 0 271.361 -1.206 20 0 CAADRP CN(C[C@H](O)C[NH2+]CCO)C(=O)C[N@H+](C)C1CCC1 ZINC001284414955 775492668 /nfs/dbraw/zinc/49/26/68/775492668.db2.gz AADZQWGJXXAYEB-GFCCVEGCSA-N 2 0 273.377 -1.128 20 0 CAADRP C[N@H+](CCO)CCNC(=O)[C@]1(C)C[C@H](O)C[NH+]1C ZINC000925004306 775522006 /nfs/dbraw/zinc/52/20/06/775522006.db2.gz VZFIHTAKKJYDJN-JQWIXIFHSA-N 2 0 259.350 -1.518 20 0 CAADRP C[C@@H]([NH2+]CCNC(=O)CCc1ncc[nH]1)C(=O)NC(N)=O ZINC001126447646 775523266 /nfs/dbraw/zinc/52/32/66/775523266.db2.gz JAVHYISYLXOKQX-MRVPVSSYSA-N 2 0 296.331 -1.369 20 0 CAADRP C[NH+](C)CCN1CC2(C1)CN(C(=O)[C@@H]1C[C@H](O)C[N@@H+]1C)C2 ZINC001272273472 775594847 /nfs/dbraw/zinc/59/48/47/775594847.db2.gz MMURDKBSCVWMJM-STQMWFEESA-N 2 0 296.415 -1.243 20 0 CAADRP C[NH+](C)CCn1cc(C(=O)NCCC[NH2+]CC(N)=O)cn1 ZINC001168053029 775608377 /nfs/dbraw/zinc/60/83/77/775608377.db2.gz ZHMYBBLDMOAPCH-UHFFFAOYSA-N 2 0 296.375 -1.361 20 0 CAADRP O=C(N[C@@H]1C[N@H+](CCO)C[C@@H]1O)[C@H]1C[NH+]2CCC1CC2 ZINC001083465990 775691127 /nfs/dbraw/zinc/69/11/27/775691127.db2.gz APCPRFKZHSEVJD-XQQFMLRXSA-N 2 0 283.372 -1.518 20 0 CAADRP O=C(N[C@@H]1C[N@H+](CCO)C[C@@H]1O)[C@@H]1C[NH+]2CCC1CC2 ZINC001083465989 775691244 /nfs/dbraw/zinc/69/12/44/775691244.db2.gz APCPRFKZHSEVJD-UPJWGTAASA-N 2 0 283.372 -1.518 20 0 CAADRP O=C(N[C@@H]1C[N@H+](CCO)C[C@H]1O)[C@@H]1C[NH+]2CCC1CC2 ZINC001077002649 775788539 /nfs/dbraw/zinc/78/85/39/775788539.db2.gz APCPRFKZHSEVJD-JHJVBQTASA-N 2 0 283.372 -1.518 20 0 CAADRP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](CCO)C[C@H]2O)CC[N@@H+]1C ZINC001077028304 775790840 /nfs/dbraw/zinc/79/08/40/775790840.db2.gz ALWRERRDWJLAIN-UMSGYPCISA-N 2 0 285.388 -1.130 20 0 CAADRP Cc1cncn1CC(=O)N[C@@H]1C[N@H+](C[C@H](C)O)C[C@@H]1O ZINC001083645401 775842159 /nfs/dbraw/zinc/84/21/59/775842159.db2.gz ZBYDLNJEUWQYQJ-TUAOUCFPSA-N 2 0 282.344 -1.266 20 0 CAADRP C[NH+](C)C1(C(=O)NC[C@H](O)C[NH2+]CCO)CCC1 ZINC001272434203 775911807 /nfs/dbraw/zinc/91/18/07/775911807.db2.gz BSAUFLKWKFQJRY-SNVBAGLBSA-N 2 0 259.350 -1.470 20 0 CAADRP C[NH2+]C[C@H](O)[C@H](C)C(=O)N1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC001121901502 775919872 /nfs/dbraw/zinc/91/98/72/775919872.db2.gz SLORNKWTTYREOS-VLEAKVRGSA-N 2 0 259.350 -1.223 20 0 CAADRP C[C@@H]1C[NH2+]CCN1C(=O)[C@H]1CC(=O)N(C2C[NH2+]C2)C1 ZINC001121896522 775919749 /nfs/dbraw/zinc/91/97/49/775919749.db2.gz IBBJLYIEPPZVNW-ZJUUUORDSA-N 2 0 266.345 -1.373 20 0 CAADRP C[C@H]1C[NH2+]CCN1C(=O)[C@H]1CC(=O)N(C2C[NH2+]C2)C1 ZINC001121896520 775919913 /nfs/dbraw/zinc/91/99/13/775919913.db2.gz IBBJLYIEPPZVNW-UWVGGRQHSA-N 2 0 266.345 -1.373 20 0 CAADRP C[NH2+]C[C@H](O)[C@H](C)C(=O)N1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC001121901504 775920250 /nfs/dbraw/zinc/92/02/50/775920250.db2.gz SLORNKWTTYREOS-XWLWVQCSSA-N 2 0 259.350 -1.223 20 0 CAADRP [NH3+]CCNCC(=O)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC001121998115 775926690 /nfs/dbraw/zinc/92/66/90/775926690.db2.gz QBVGIOJCEYBBIF-RYUDHWBXSA-N 2 0 270.377 -1.408 20 0 CAADRP CN1CC[NH2+]C[C@H]1C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC001122018079 775926865 /nfs/dbraw/zinc/92/68/65/775926865.db2.gz CUYAENMUGGZIKY-STQMWFEESA-N 2 0 281.404 -1.604 20 0 CAADRP C[N@@H+]1CC[C@H](CC(=O)NC[C@@H](O)C[NH2+]CCO)C1 ZINC001272559183 775933341 /nfs/dbraw/zinc/93/33/41/775933341.db2.gz GXNHWPQAXAZTKW-MNOVXSKESA-N 2 0 259.350 -1.613 20 0 CAADRP O=C(NC[C@@H](O)C[NH2+]CCCO)[C@@]12CC[N@H+](C1)CCC2 ZINC001272566670 775935521 /nfs/dbraw/zinc/93/55/21/775935521.db2.gz BDQASLSXEORGPV-JSGCOSHPSA-N 2 0 285.388 -1.079 20 0 CAADRP [NH3+]C[C@@]1(C(=O)N[C@@H]2COC3(C[NH2+]C3)C2)CCCOC1 ZINC001122142358 775935782 /nfs/dbraw/zinc/93/57/82/775935782.db2.gz ODJDGFSCPKYWMC-JQWIXIFHSA-N 2 0 269.345 -1.011 20 0 CAADRP [NH3+]C[C@]1(C(=O)N[C@H]2COC3(C[NH2+]C3)C2)CCCOC1 ZINC001122142360 775936124 /nfs/dbraw/zinc/93/61/24/775936124.db2.gz ODJDGFSCPKYWMC-ZYHUDNBSSA-N 2 0 269.345 -1.011 20 0 CAADRP CCN(CC[NH3+])C(=O)[C@H]1CC(=O)N(C2C[NH2+]C2)C1 ZINC001122165274 775937428 /nfs/dbraw/zinc/93/74/28/775937428.db2.gz ADKGNAIYQSSWSC-VIFPVBQESA-N 2 0 254.334 -1.386 20 0 CAADRP O=C([C@@H]1C[NH2+]CCO1)N1CCC(OC2C[NH2+]C2)CC1 ZINC001122476887 775951526 /nfs/dbraw/zinc/95/15/26/775951526.db2.gz POUJEWRESIMZQR-LBPRGKRZSA-N 2 0 269.345 -1.046 20 0 CAADRP COC(=O)[C@@H](C)CN1CC[NH2+]CCNCC[NH2+]CC1 ZINC001235869035 775967874 /nfs/dbraw/zinc/96/78/74/775967874.db2.gz IKGALSJNUOXOJL-LBPRGKRZSA-N 2 0 272.393 -1.120 20 0 CAADRP O=C(NCC[NH2+][C@H]1CCNC1=O)[C@H]1C[NH+]2CCC1CC2 ZINC001127475103 775985367 /nfs/dbraw/zinc/98/53/67/775985367.db2.gz QKHZPIHJMDBASY-RYUDHWBXSA-N 2 0 280.372 -1.078 20 0 CAADRP C[C@H]([NH2+]CCNC(=O)[C@@H]1C[NH+]2CCC1CC2)C(N)=O ZINC001127466502 775985581 /nfs/dbraw/zinc/98/55/81/775985581.db2.gz QHPOULOXNOWPEG-GXSJLCMTSA-N 2 0 268.361 -1.092 20 0 CAADRP O=C(NCC[NH2+][C@@H]1CCNC1=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001127475104 775985926 /nfs/dbraw/zinc/98/59/26/775985926.db2.gz QKHZPIHJMDBASY-VXGBXAGGSA-N 2 0 280.372 -1.078 20 0 CAADRP NC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001127475448 775986682 /nfs/dbraw/zinc/98/66/82/775986682.db2.gz VPDZAMCCTKAUPM-SNVBAGLBSA-N 2 0 297.359 -1.771 20 0 CAADRP NC(=O)C[NH2+]CCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001127473931 775986828 /nfs/dbraw/zinc/98/68/28/775986828.db2.gz DOCYPXQMQUPAGP-SNVBAGLBSA-N 2 0 254.334 -1.481 20 0 CAADRP CNC(=O)C[NH2+]CCNC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001127558382 775992190 /nfs/dbraw/zinc/99/21/90/775992190.db2.gz KWVACKDGYQMIGV-UHFFFAOYSA-N 2 0 296.375 -1.490 20 0 CAADRP C[NH+](C)CCn1ccc(C(=O)NCC[NH2+]CCO)n1 ZINC001127563003 775992660 /nfs/dbraw/zinc/99/26/60/775992660.db2.gz 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C[N@@H+]1CC[C@@H](C(=O)NC[C@H]2C[C@H]([NH2+]CC(N)=O)C2)C1 ZINC001086550527 776562952 /nfs/dbraw/zinc/56/29/52/776562952.db2.gz LTGIOMOHOHSETF-GMTAPVOTSA-N 2 0 268.361 -1.092 20 0 CAADRP CC(=O)O[C@@H]1C[NH2+]C[C@@H]1C(=O)N1C[C@@H](F)[C@@H]([NH3+])C1 ZINC001157545309 776584432 /nfs/dbraw/zinc/58/44/32/776584432.db2.gz OTUWFRNDMQQQRN-QCLAVDOMSA-N 2 0 259.281 -1.355 20 0 CAADRP [NH3+][C@H]1CN(C(=O)[C@@H]2CCS(=O)(=O)C23C[NH2+]C3)C[C@H]1F ZINC001157535589 776584556 /nfs/dbraw/zinc/58/45/56/776584556.db2.gz CGJZZTGQJDETIY-YIZRAAEISA-N 2 0 291.348 -1.729 20 0 CAADRP CC[C@H](C)[C@H]([NH3+])C(=O)NCC(=O)N1C[C@@H](F)[C@@H]([NH3+])C1 ZINC001157544975 776584916 /nfs/dbraw/zinc/58/49/16/776584916.db2.gz KHGWOJACGUQCPP-DKIAZLNASA-N 2 0 274.340 -1.016 20 0 CAADRP C[C@H]([NH3+])C(=O)N[C@H](CCC(=O)N1CC(C)([NH3+])C1)C(N)=O ZINC001157650900 776591806 /nfs/dbraw/zinc/59/18/06/776591806.db2.gz GYTZUHVOBQCNKI-JGVFFNPUSA-N 2 0 285.348 -2.357 20 0 CAADRP C[C@H]([NH3+])C(=O)N1[C@H](C(=O)N2CC(C)([NH3+])C2)COC1(C)C ZINC001157650572 776592219 /nfs/dbraw/zinc/59/22/19/776592219.db2.gz CFCUODCZWATWAS-IUCAKERBSA-N 2 0 284.360 -1.143 20 0 CAADRP CC[N@H+](C)CCC(=O)NCCC[NH2+]CC(=O)NC(N)=O ZINC001170212463 776597363 /nfs/dbraw/zinc/59/73/63/776597363.db2.gz ZUCSPJSFCQVJHK-UHFFFAOYSA-N 2 0 287.364 -1.381 20 0 CAADRP COC(=O)[C@]1(F)CCN(C(=O)[C@@H]2C[C@@H]([NH3+])CN2)C1 ZINC001157717336 776599932 /nfs/dbraw/zinc/59/99/32/776599932.db2.gz ZNGSWDGLGHBUAV-FYBVGQRMSA-N 2 0 259.281 -1.211 20 0 CAADRP CC(=O)OC[C@H]([NH3+])C(=O)N(C)C[C@H]1C[NH2+]CCO1 ZINC001157717345 776600030 /nfs/dbraw/zinc/60/00/30/776600030.db2.gz ZQYUETLSXPZVSH-ZJUUUORDSA-N 2 0 259.306 -1.676 20 0 CAADRP CN(C[C@@H]1C[NH2+]CCO1)C(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001157717328 776600120 /nfs/dbraw/zinc/60/01/20/776600120.db2.gz ZHXPJPZIKWKZPT-MBNYWOFBSA-N 3 0 282.388 -1.368 20 0 CAADRP O=C([C@@H]1C[NH2+]CC12C[NH2+]C2)N1C[C@@H](F)C[C@H](CO)C1 ZINC001157729671 776600349 /nfs/dbraw/zinc/60/03/49/776600349.db2.gz GIFFMGDNUKHKLI-DCAQKATOSA-N 2 0 271.336 -1.026 20 0 CAADRP [NH3+]CC(=O)NCC(=O)N1CCC[C@](F)(C[NH3+])CC1 ZINC001157739831 776603704 /nfs/dbraw/zinc/60/37/04/776603704.db2.gz KENBWXHLNVIOPS-LLVKDONJSA-N 2 0 260.313 -1.259 20 0 CAADRP CNC(=O)C[NH2+]CCNC(=O)C[N@H+](C)C1CCC1 ZINC001129526617 776620691 /nfs/dbraw/zinc/62/06/91/776620691.db2.gz MBBJRMCOGMKQNP-UHFFFAOYSA-N 2 0 256.350 -1.078 20 0 CAADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CC(=O)N(C2CC2)C(=O)C1 ZINC001157862251 776620735 /nfs/dbraw/zinc/62/07/35/776620735.db2.gz DJYOSVQCOVIGMV-JTQLQIEISA-N 2 0 282.344 -1.198 20 0 CAADRP [NH3+][C@H](C(=O)N1CC(=O)N(C2CC2)C(=O)C1)C1CC[NH2+]CC1 ZINC001157863443 776620809 /nfs/dbraw/zinc/62/08/09/776620809.db2.gz YILWRLINVJFZDI-ZDUSSCGKSA-N 2 0 294.355 -1.327 20 0 CAADRP C[NH+](C)[C@@H](C(=O)NCC[NH2+][C@H]1CCC(=O)NC1=O)C1CC1 ZINC001129435771 776620847 /nfs/dbraw/zinc/62/08/47/776620847.db2.gz IXZRGASGRCHVMS-CMPLNLGQSA-N 2 0 296.371 -1.162 20 0 CAADRP C[N@H+](CC(=O)NCC[NH2+]CC(=O)NC(N)=O)C1CCC1 ZINC001129531898 776621039 /nfs/dbraw/zinc/62/10/39/776621039.db2.gz KVDPZYLSJOAEAE-UHFFFAOYSA-N 2 0 285.348 -1.629 20 0 CAADRP C[NH+](C)[C@@H](C(=O)NCC[NH2+][C@H]1CCNC1=O)C1CC1 ZINC001129436545 776621069 /nfs/dbraw/zinc/62/10/69/776621069.db2.gz QUUPCZKGIVINPV-WDEREUQCSA-N 2 0 268.361 -1.079 20 0 CAADRP C[NH+](C)[C@@H](C(=O)NCC[NH2+]CC(=O)NC(N)=O)C1CC1 ZINC001129435079 776621184 /nfs/dbraw/zinc/62/11/84/776621184.db2.gz AKKLNUVZTUPQPQ-SNVBAGLBSA-N 2 0 285.348 -1.773 20 0 CAADRP C[C@H]([NH2+]CCNC(=O)[C@H](C1CC1)[NH+](C)C)C(=O)NC(N)=O ZINC001129448625 776621948 /nfs/dbraw/zinc/62/19/48/776621948.db2.gz DDCVMGATUJRWQV-WPRPVWTQSA-N 2 0 299.375 -1.384 20 0 CAADRP CC[C@H](C(=O)NCC[NH2+]CC(=O)NC(=O)NC)[NH+](C)C ZINC001130198167 776643967 /nfs/dbraw/zinc/64/39/67/776643967.db2.gz YHWMRYDXHNSCLU-SECBINFHSA-N 2 0 287.364 -1.512 20 0 CAADRP CC[C@H](C(=O)NCC[NH2+][C@H]1CCNC1=O)[NH+](C)C ZINC001130203509 776644656 /nfs/dbraw/zinc/64/46/56/776644656.db2.gz NYGXNNOUDMZZTH-VHSXEESVSA-N 2 0 256.350 -1.079 20 0 CAADRP CC[C@H](C(=O)NCC[NH2+]CC(=O)NC(N)=O)[NH+](C)C ZINC001130197416 776644738 /nfs/dbraw/zinc/64/47/38/776644738.db2.gz IFDIJWJFXHYOHI-MRVPVSSYSA-N 2 0 273.337 -1.773 20 0 CAADRP CC(C)(C[NH+]1CCOCC1)C(=O)NCC[NH2+]CC(N)=O ZINC001130230402 776646299 /nfs/dbraw/zinc/64/62/99/776646299.db2.gz KGJRRXSLRQLQHQ-UHFFFAOYSA-N 2 0 286.376 -1.464 20 0 CAADRP CC[C@H](C(=O)NCC[NH2+]CCNS(C)(=O)=O)[NH+](C)C ZINC001130205081 776646598 /nfs/dbraw/zinc/64/65/98/776646598.db2.gz GGRDKHBAWYAUJO-SNVBAGLBSA-N 2 0 294.421 -1.418 20 0 CAADRP [NH3+][C@H](C(=O)N1CC[C@@H](O)[C@@H](CO)C1)C1CC[NH2+]CC1 ZINC001157936103 776646820 /nfs/dbraw/zinc/64/68/20/776646820.db2.gz XOOXXGDFETTXNX-UTUOFQBUSA-N 2 0 271.361 -1.485 20 0 CAADRP [NH3+][C@H](C(=O)N1CC[C@H](O)[C@@H](CO)C1)C1CC[NH2+]CC1 ZINC001157936104 776647014 /nfs/dbraw/zinc/64/70/14/776647014.db2.gz XOOXXGDFETTXNX-WOPDTQHZSA-N 2 0 271.361 -1.485 20 0 CAADRP C[C@@H]([NH2+]CCNC(=O)[C@H]1CCCC[N@@H+]1C)C(=O)NC(N)=O ZINC001130306280 776647889 /nfs/dbraw/zinc/64/78/89/776647889.db2.gz UQMSALGCIKBFCL-NXEZZACHSA-N 2 0 299.375 -1.240 20 0 CAADRP C[N@@H+]1CCCC[C@H]1C(=O)NCC[NH2+][C@@H]1CCC(=O)NC1=O ZINC001130299902 776647949 /nfs/dbraw/zinc/64/79/49/776647949.db2.gz DFQOPJZDLIFFOR-MNOVXSKESA-N 2 0 296.371 -1.018 20 0 CAADRP C[C@H]([NH2+]CCNC(=O)[C@@H]1CCCC[N@@H+]1C)C(=O)NC(N)=O ZINC001130306281 776648472 /nfs/dbraw/zinc/64/84/72/776648472.db2.gz UQMSALGCIKBFCL-UWVGGRQHSA-N 2 0 299.375 -1.240 20 0 CAADRP CNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001130297795 776648848 /nfs/dbraw/zinc/64/88/48/776648848.db2.gz SAUFUVYPNLUVLW-SNVBAGLBSA-N 2 0 299.375 -1.368 20 0 CAADRP CNC(=O)C[NH2+]CCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001130297532 776649275 /nfs/dbraw/zinc/64/92/75/776649275.db2.gz OBXWHYGYTTUFIJ-JTQLQIEISA-N 2 0 256.350 -1.078 20 0 CAADRP C[C@]1(CO)CCN(C(=O)[C@@H]([NH3+])CSCC[NH3+])C[C@@H]1O ZINC001157944283 776649737 /nfs/dbraw/zinc/64/97/37/776649737.db2.gz JKEPDVXDKMOGSD-JBLDHEPKSA-N 2 0 291.417 -1.403 20 0 CAADRP C[C@]1(CO)CCN(C(=O)[C@@H]([NH3+])C2CC[NH2+]CC2)C[C@@H]1O ZINC001157944211 776650493 /nfs/dbraw/zinc/65/04/93/776650493.db2.gz IQKGXSDTQZECMN-SGMGOOAPSA-N 2 0 285.388 -1.095 20 0 CAADRP C[C@@]1(CO)CCN(C(=O)[C@@H]([NH3+])CSCC[NH3+])C[C@@H]1O ZINC001157944284 776650658 /nfs/dbraw/zinc/65/06/58/776650658.db2.gz JKEPDVXDKMOGSD-NHCYSSNCSA-N 2 0 291.417 -1.403 20 0 CAADRP C[C@]1(CO)CCN(C(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)C[C@H]1O ZINC001157947019 776653283 /nfs/dbraw/zinc/65/32/83/776653283.db2.gz QIADPJZIQCFCNN-NQBHXWOUSA-N 2 0 283.372 -1.613 20 0 CAADRP C[C@]1(CO)CCN(C(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)C[C@@H]1O ZINC001157947020 776653401 /nfs/dbraw/zinc/65/34/01/776653401.db2.gz QIADPJZIQCFCNN-NTZNESFSSA-N 2 0 283.372 -1.613 20 0 CAADRP C[C@@]1(CO)CN(C(=O)[C@@H]([NH3+])CSCC[NH3+])CC[C@@H]1O ZINC001157945840 776653493 /nfs/dbraw/zinc/65/34/93/776653493.db2.gz LVIXQTKYMSSBQA-NHCYSSNCSA-N 2 0 291.417 -1.403 20 0 CAADRP C[C@]1(CO)CN(C(=O)[C@@H]([NH3+])CSCC[NH3+])CC[C@H]1O ZINC001157945822 776653549 /nfs/dbraw/zinc/65/35/49/776653549.db2.gz LVIXQTKYMSSBQA-HOSYDEDBSA-N 2 0 291.417 -1.403 20 0 CAADRP C[C@]1(CO)CCN(C(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)C[C@H]1O ZINC001157947010 776653584 /nfs/dbraw/zinc/65/35/84/776653584.db2.gz QIADPJZIQCFCNN-DMDPSCGWSA-N 2 0 283.372 -1.613 20 0 CAADRP O=C([C@@H]1C[NH2+]CC12C[NH2+]C2)N1CC(=O)NC[C@@]12CC[NH2+]C2 ZINC001158093960 776674358 /nfs/dbraw/zinc/67/43/58/776674358.db2.gz ZCLSAPGXLXVCNZ-HZMBPMFUSA-N 3 0 293.371 -2.514 20 0 CAADRP CC(=O)OC[C@H]([NH3+])C(=O)N1CCO[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001158166535 776678628 /nfs/dbraw/zinc/67/86/28/776678628.db2.gz AAUDOUAMPAUPER-OUAUKWLOSA-N 2 0 271.317 -1.676 20 0 CAADRP O=C([C@H]1C[NH2+]CC12C[NH2+]C2)N1CCO[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001158167557 776679053 /nfs/dbraw/zinc/67/90/53/776679053.db2.gz LPHIGJJOJNCLFY-IJLUTSLNSA-N 3 0 280.372 -1.758 20 0 CAADRP O=C(NCC[NH2+]CCCO)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001131521778 776692904 /nfs/dbraw/zinc/69/29/04/776692904.db2.gz HIRBXGGJCDBURR-LXVYMNJGSA-N 2 0 283.372 -1.062 20 0 CAADRP NC(=O)C[NH2+]CCNC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001131519609 776693196 /nfs/dbraw/zinc/69/31/96/776693196.db2.gz HMIKOWABTJXHKN-RUETXSTFSA-N 2 0 282.344 -1.959 20 0 CAADRP NC(=O)C[NH2+]CCNC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001131519608 776693913 /nfs/dbraw/zinc/69/39/13/776693913.db2.gz HMIKOWABTJXHKN-QUNCOHTASA-N 2 0 282.344 -1.959 20 0 CAADRP O=C([C@@H]1COC2(C[NH2+]C2)CN1)N1CCC[C@@H]2[NH2+]C[C@H]21 ZINC001158422820 776695267 /nfs/dbraw/zinc/69/52/67/776695267.db2.gz LVSMUVOJGPIZQS-GARJFASQSA-N 2 0 266.345 -1.720 20 0 CAADRP O=C([C@@H]1COC2(C[NH2+]C2)CN1)N1CCC[C@H]2[NH2+]C[C@@H]21 ZINC001158422822 776695394 /nfs/dbraw/zinc/69/53/94/776695394.db2.gz LVSMUVOJGPIZQS-VWYCJHECSA-N 2 0 266.345 -1.720 20 0 CAADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)N1CCC[C@@H]2[NH2+]C[C@@H]21 ZINC001158425331 776695517 /nfs/dbraw/zinc/69/55/17/776695517.db2.gz WUEBJLRZEFVWHW-AVGNSLFASA-N 3 0 281.404 -1.300 20 0 CAADRP [NH3+][C@H]1CN[C@H](C(=O)N2CC[C@@]34C[NH2+]C[C@@H](C[C@H]3C2)O4)C1 ZINC001158546791 776714724 /nfs/dbraw/zinc/71/47/24/776714724.db2.gz MBMHCCIVJWDRLC-ILOGHGLZSA-N 2 0 280.372 -1.345 20 0 CAADRP C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N1C[C@H](C)[N@H+](C)C[C@H]1C ZINC001158628799 776739019 /nfs/dbraw/zinc/73/90/19/776739019.db2.gz ACMQAGSSVDKABL-VLEAKVRGSA-N 2 0 286.376 -1.638 20 0 CAADRP CC(C)[N@@H+]1CCO[C@H](C(=O)NCC[NH2+][C@@H](C)C(N)=O)C1 ZINC001132848417 776752160 /nfs/dbraw/zinc/75/21/60/776752160.db2.gz HSAFMBQSUZOVFF-QWRGUYRKSA-N 2 0 286.376 -1.325 20 0 CAADRP C[C@@H]([NH2+]CCNC(=O)C1(C[NH+](C)C)CC1)C(N)=O ZINC001132993022 776755419 /nfs/dbraw/zinc/75/54/19/776755419.db2.gz JXKAWNUMBUYBRQ-SECBINFHSA-N 2 0 256.350 -1.092 20 0 CAADRP C[NH+](C)CC1(C(=O)NCC[NH2+][C@H]2CCNC2=O)CC1 ZINC001132992893 776755713 /nfs/dbraw/zinc/75/57/13/776755713.db2.gz IRSVWDSJSKFLIX-JTQLQIEISA-N 2 0 268.361 -1.078 20 0 CAADRP C[C@@H]([NH2+]CCNC(=O)C1(C[NH+](C)C)CC1)C(=O)NC(N)=O ZINC001132995194 776756367 /nfs/dbraw/zinc/75/63/67/776756367.db2.gz NMCGVPQVTYRPFM-SECBINFHSA-N 2 0 299.375 -1.383 20 0 CAADRP CNC(=O)NC(=O)C[NH2+]CCNC(=O)C1(C[NH+](C)C)CC1 ZINC001132992591 776756665 /nfs/dbraw/zinc/75/66/65/776756665.db2.gz CXBUQYNTSVYWQT-UHFFFAOYSA-N 2 0 299.375 -1.510 20 0 CAADRP C[NH+](C)CCCC(=O)NCC[NH2+]CC(=O)NC(N)=O ZINC001133040185 776757485 /nfs/dbraw/zinc/75/74/85/776757485.db2.gz FGMIOXVPZIDNAV-UHFFFAOYSA-N 2 0 273.337 -1.771 20 0 CAADRP C[NH+](C)CCCC(=O)NCC[NH2+][C@@H]1CCNC1=O ZINC001133040160 776757862 /nfs/dbraw/zinc/75/78/62/776757862.db2.gz DDFWXFHZGRVMCH-SNVBAGLBSA-N 2 0 256.350 -1.078 20 0 CAADRP C[NH+](C)CCCC(=O)NCC[NH2+][C@H]1CCNC1=O ZINC001133040159 776757956 /nfs/dbraw/zinc/75/79/56/776757956.db2.gz DDFWXFHZGRVMCH-JTQLQIEISA-N 2 0 256.350 -1.078 20 0 CAADRP C[NH+](C)CCC(=O)NCC[NH2+]CC(=O)NC(=O)NC1CC1 ZINC001133294638 776775322 /nfs/dbraw/zinc/77/53/22/776775322.db2.gz OCWHOSYORTUWPT-UHFFFAOYSA-N 2 0 299.375 -1.368 20 0 CAADRP C[NH+](C)CCC(=O)NCC[NH2+][C@@H]1CCCNC1=O ZINC001133297395 776775880 /nfs/dbraw/zinc/77/58/80/776775880.db2.gz MRJQHNRWLFMZST-SNVBAGLBSA-N 2 0 256.350 -1.078 20 0 CAADRP COCCCNC(=O)C[NH2+]CCNC(=O)CC[NH+](C)C ZINC001133294469 776776098 /nfs/dbraw/zinc/77/60/98/776776098.db2.gz KEEMDZPTUAXIPB-UHFFFAOYSA-N 2 0 288.392 -1.203 20 0 CAADRP CNC(=O)NC(=O)C[NH2+]CCNC(=O)CC[NH+](C)C ZINC001133294525 776776515 /nfs/dbraw/zinc/77/65/15/776776515.db2.gz MERFFLLHVZVWFB-UHFFFAOYSA-N 2 0 273.337 -1.901 20 0 CAADRP C[C@@H]([NH2+]CCNC(=O)C[N@@H+]1CC[C@@H](C)C1)C(N)=O ZINC001133845528 776788983 /nfs/dbraw/zinc/78/89/83/776788983.db2.gz IDKRVZBOIOMKLE-NXEZZACHSA-N 2 0 256.350 -1.092 20 0 CAADRP C[C@@H]([NH2+]CCNC(=O)C[N@@H+]1CC[C@H](C)C1)C(N)=O ZINC001133845530 776789038 /nfs/dbraw/zinc/78/90/38/776789038.db2.gz IDKRVZBOIOMKLE-VHSXEESVSA-N 2 0 256.350 -1.092 20 0 CAADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCC[NH2+]CCN1CCNC1=O ZINC001133863069 776789065 /nfs/dbraw/zinc/78/90/65/776789065.db2.gz JBWYDOIZMHOFAA-NEPJUHHUSA-N 2 0 297.403 -1.085 20 0 CAADRP CNC(=O)NC(=O)C[NH2+]CCNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001133845886 776789508 /nfs/dbraw/zinc/78/95/08/776789508.db2.gz PKUNQHSVCCWZCK-JTQLQIEISA-N 2 0 299.375 -1.510 20 0 CAADRP CNC(=O)NC(=O)C[NH2+]CCNC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001133819678 776789703 /nfs/dbraw/zinc/78/97/03/776789703.db2.gz LCLOBMMWOMJYCV-JTQLQIEISA-N 2 0 299.375 -1.368 20 0 CAADRP C[C@@H]([NH2+]CCNC(=O)C[N@@H+]1CCC[C@@H]1C)C(=O)NC(N)=O ZINC001133833817 776790088 /nfs/dbraw/zinc/79/00/88/776790088.db2.gz GXQXEFLPHIXVKD-VHSXEESVSA-N 2 0 299.375 -1.240 20 0 CAADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCC[NH2+]CCN1CCNC1=O ZINC001133863070 776790265 /nfs/dbraw/zinc/79/02/65/776790265.db2.gz JBWYDOIZMHOFAA-NWDGAFQWSA-N 2 0 297.403 -1.085 20 0 CAADRP C[C@H]1CC[N@H+](CC(=O)NCC[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001133846266 776790753 /nfs/dbraw/zinc/79/07/53/776790753.db2.gz XNQNQOHGMQEBNC-QWRGUYRKSA-N 2 0 296.371 -1.161 20 0 CAADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCC[NH2+]CC(=O)N(C)C ZINC001133863546 776790794 /nfs/dbraw/zinc/79/07/94/776790794.db2.gz NWAKOMWBLQPVDV-MNOVXSKESA-N 2 0 270.377 -1.022 20 0 CAADRP C[C@@H]1CC[N@H+](CC(=O)NCC[NH2+][C@@H]2CCNC2=O)C1 ZINC001133845756 776790815 /nfs/dbraw/zinc/79/08/15/776790815.db2.gz MRNJEJOGSDMTIL-GHMZBOCLSA-N 2 0 268.361 -1.078 20 0 CAADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCC[NH2+]CC(=O)NC(N)=O ZINC001133864329 776792564 /nfs/dbraw/zinc/79/25/64/776792564.db2.gz ZBXGHROERIFYBZ-RKDXNWHRSA-N 2 0 285.348 -1.915 20 0 CAADRP CNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H]1C[N@H+](C)C[C@@H]1C ZINC001133869834 776793187 /nfs/dbraw/zinc/79/31/87/776793187.db2.gz MHUHXPBCQMNWQT-UWVGGRQHSA-N 2 0 299.375 -1.655 20 0 CAADRP CC[C@@H](C(=O)NCC[NH2+]CCNS(C)(=O)=O)[NH+](C)C ZINC001133965703 776797501 /nfs/dbraw/zinc/79/75/01/776797501.db2.gz GGRDKHBAWYAUJO-JTQLQIEISA-N 2 0 294.421 -1.418 20 0 CAADRP CC[C@@H](C(=O)NCC[NH2+][C@@H]1CCC(=O)NC1=O)[NH+](C)C ZINC001133963417 776797525 /nfs/dbraw/zinc/79/75/25/776797525.db2.gz UMRQCCIULYADFQ-ZJUUUORDSA-N 2 0 284.360 -1.162 20 0 CAADRP CC[C@@H](C(=O)NCC[NH2+][C@@H](C)C(=O)NC(N)=O)[NH+](C)C ZINC001133967865 776798052 /nfs/dbraw/zinc/79/80/52/776798052.db2.gz GSKXMNWEFRYDDE-IUCAKERBSA-N 2 0 287.364 -1.384 20 0 CAADRP CC[C@@H](C(=O)NCC[NH2+][C@H]1CCNC1=O)[NH+](C)C ZINC001133962944 776798158 /nfs/dbraw/zinc/79/81/58/776798158.db2.gz NYGXNNOUDMZZTH-UWVGGRQHSA-N 2 0 256.350 -1.079 20 0 CAADRP CC[C@@H](C(=O)NCC[NH2+][C@H](C)C(=O)NC(N)=O)[NH+](C)C ZINC001133967864 776798194 /nfs/dbraw/zinc/79/81/94/776798194.db2.gz GSKXMNWEFRYDDE-BDAKNGLRSA-N 2 0 287.364 -1.384 20 0 CAADRP CC[C@@H](C(=O)NCC[NH2+]CCN1C(=O)CNC1=O)[NH+](C)C ZINC001133965846 776798249 /nfs/dbraw/zinc/79/82/49/776798249.db2.gz MHIHPKXIDZPKEJ-JTQLQIEISA-N 2 0 299.375 -1.416 20 0 CAADRP C[C@H](COCC(=O)NCC[NH2+]CC(N)=O)[NH+]1CCCC1 ZINC001134058635 776803661 /nfs/dbraw/zinc/80/36/61/776803661.db2.gz WWFFNQQLHZKZAV-LLVKDONJSA-N 2 0 286.376 -1.322 20 0 CAADRP OC[C@@H]1C[NH2+]C[C@@H]1Nc1ccnc(N2CC[NH2+]CC2)n1 ZINC001170771080 776826958 /nfs/dbraw/zinc/82/69/58/776826958.db2.gz BENOMCBDZPSAFK-QWRGUYRKSA-N 2 0 278.360 -1.122 20 0 CAADRP OC[C@@H]1C[NH2+]C[C@H]1Nc1nccc(N2CC[NH2+]CC2)n1 ZINC001170771626 776827848 /nfs/dbraw/zinc/82/78/48/776827848.db2.gz DFPUSSBEXQYQNP-WDEREUQCSA-N 2 0 278.360 -1.122 20 0 CAADRP C[NH+]1CCC(CC(=O)NCC[NH2+]CC(N)=O)CC1 ZINC001134780572 776827957 /nfs/dbraw/zinc/82/79/57/776827957.db2.gz MGUVGHZJKRNMLI-UHFFFAOYSA-N 2 0 256.350 -1.091 20 0 CAADRP C[C@@H]([NH2+]CCNC(=O)c1cnn(CC[NH+](C)C)c1)C(N)=O ZINC001135119198 776838209 /nfs/dbraw/zinc/83/82/09/776838209.db2.gz YXLKTKYSZAXWQV-SNVBAGLBSA-N 2 0 296.375 -1.362 20 0 CAADRP C[C@@H](O)C[NH2+]C[C@H](O)CN(C)C(=O)CC[NH+](C)C ZINC001284444335 777942614 /nfs/dbraw/zinc/94/26/14/777942614.db2.gz JJIVNTMAQIIVNZ-MNOVXSKESA-N 2 0 261.366 -1.272 20 0 CAADRP C[NH+](C)CCOCC[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC001118089818 779547448 /nfs/dbraw/zinc/54/74/48/779547448.db2.gz AEPVIYRVPINPFE-AWEZNQCLSA-N 3 0 288.436 -1.238 20 0 CAADRP COCC[N@@H+]1CC[C@@H](NC(=O)CNC(=O)C[NH3+])C1 ZINC001118133760 779548552 /nfs/dbraw/zinc/54/85/52/779548552.db2.gz BJFNIKIQYRJMLC-SECBINFHSA-N 2 0 258.322 -2.102 20 0 CAADRP [NH3+]CC(=O)NCC(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC001118161091 779550420 /nfs/dbraw/zinc/55/04/20/779550420.db2.gz HLXZTENATSXIIS-ZCFIWIBFSA-N 2 0 250.249 -1.825 20 0 CAADRP Cn1cc(C[N@@H+]2CC[C@@H](C[NH3+])C2)c(=O)n(C)c1=O ZINC001118178680 779550813 /nfs/dbraw/zinc/55/08/13/779550813.db2.gz FDAGNIRRPOZAEY-VIFPVBQESA-N 2 0 252.318 -1.135 20 0 CAADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]C[C@H](O)C2CC2)CC1 ZINC001118179466 779550929 /nfs/dbraw/zinc/55/09/29/779550929.db2.gz VEDVZMNMDBOJEM-STQMWFEESA-N 2 0 257.378 -1.045 20 0 CAADRP CN1CCN(C(=O)c2cn(CCCC[NH3+])nn2)[C@@H](C[NH3+])C1 ZINC001118192604 779552058 /nfs/dbraw/zinc/55/20/58/779552058.db2.gz FQXSOSXZMJZASU-NSHDSACASA-N 2 0 295.391 -1.268 20 0 CAADRP CN1CCN(C(=O)c2cn(CCCC[NH3+])nn2)[C@H](C[NH3+])C1 ZINC001118192603 779552202 /nfs/dbraw/zinc/55/22/02/779552202.db2.gz FQXSOSXZMJZASU-LLVKDONJSA-N 2 0 295.391 -1.268 20 0 CAADRP [NH3+]C[C@@H]1CCN(C(=O)CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC001118203906 779553106 /nfs/dbraw/zinc/55/31/06/779553106.db2.gz ZOIVDLFWYGAFIK-VHSXEESVSA-N 2 0 254.334 -1.338 20 0 CAADRP [NH3+]CC1(O)CC[NH+](CC(=O)N2CC[NH2+]CC2)CC1 ZINC001118198921 779553342 /nfs/dbraw/zinc/55/33/42/779553342.db2.gz ZTHQANZXULOVLA-UHFFFAOYSA-N 3 0 256.350 -1.796 20 0 CAADRP COCC[NH2+]CC(=O)NCC(=O)N1CC[NH2+]CC1 ZINC001118203544 779553359 /nfs/dbraw/zinc/55/33/59/779553359.db2.gz SGUFCGNRYJZOAG-UHFFFAOYSA-N 2 0 258.322 -2.230 20 0 CAADRP [NH3+]C[C@H]1CCN(C(=O)CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC001118203907 779553536 /nfs/dbraw/zinc/55/35/36/779553536.db2.gz ZOIVDLFWYGAFIK-ZJUUUORDSA-N 2 0 254.334 -1.338 20 0 CAADRP [NH3+]CC[C@H](NC(=O)CNC(=O)C[NH3+])C(F)(F)F ZINC001118226198 779554083 /nfs/dbraw/zinc/55/40/83/779554083.db2.gz FQZWZTLMTHLTCP-YFKPBYRVSA-N 2 0 256.228 -1.543 20 0 CAADRP COC(=O)C[C@H]([NH3+])C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC001118226809 779554102 /nfs/dbraw/zinc/55/41/02/779554102.db2.gz XTPVSFHMXVQKAZ-BDAKNGLRSA-N 2 0 259.306 -1.629 20 0 CAADRP O=C(CN1CCN([C@H]2CC[NH2+]C2)CC1)N1CC[NH2+]CC1 ZINC001118263710 779558239 /nfs/dbraw/zinc/55/82/39/779558239.db2.gz LIGNVSDMWLGQRW-ZDUSSCGKSA-N 2 0 281.404 -1.602 20 0 CAADRP C[NH+](C)CCn1cc(NC(=O)C(=O)NCCC[NH3+])cn1 ZINC001118265093 779558334 /nfs/dbraw/zinc/55/83/34/779558334.db2.gz KGRNVLUJQSWQOG-UHFFFAOYSA-N 2 0 282.348 -1.152 20 0 CAADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC001118283775 779560643 /nfs/dbraw/zinc/56/06/43/779560643.db2.gz GHZHLCGFQNBCJV-NNYUYHANSA-N 2 0 252.362 -1.186 20 0 CAADRP [NH3+]C[C@H]1OCC[C@H]1C(=O)N1CCCO[C@H](C[NH3+])C1 ZINC001118505734 779571785 /nfs/dbraw/zinc/57/17/85/779571785.db2.gz HHFUWRWKAQEIGX-GMTAPVOTSA-N 2 0 257.334 -1.074 20 0 CAADRP C[NH+]1CCN(CCNC(=O)C2=NO[C@H](C[NH3+])C2)CC1 ZINC001118505727 779572261 /nfs/dbraw/zinc/57/22/61/779572261.db2.gz HCSLJQVZCVYZFB-JTQLQIEISA-N 2 0 269.349 -1.546 20 0 CAADRP C[NH+]1CCN(CCNC(=O)C2=NO[C@@H](C[NH3+])C2)CC1 ZINC001118505728 779572342 /nfs/dbraw/zinc/57/23/42/779572342.db2.gz HCSLJQVZCVYZFB-SNVBAGLBSA-N 2 0 269.349 -1.546 20 0 CAADRP [NH3+]C[C@H]1OCC[C@@H]1C(=O)N1CCCO[C@H](C[NH3+])C1 ZINC001118505736 779572397 /nfs/dbraw/zinc/57/23/97/779572397.db2.gz HHFUWRWKAQEIGX-OUAUKWLOSA-N 2 0 257.334 -1.074 20 0 CAADRP [NH3+]CC[C@@H](NC(=O)c1cn(CC[NH3+])nn1)C(F)F ZINC001118569782 779576599 /nfs/dbraw/zinc/57/65/99/779576599.db2.gz NWENPOLESSMFNV-ZCFIWIBFSA-N 2 0 262.264 -1.051 20 0 CAADRP [NH3+]CC[C@H](NC(=O)c1cn(CC[NH3+])nn1)C(F)F ZINC001118569781 779576660 /nfs/dbraw/zinc/57/66/60/779576660.db2.gz NWENPOLESSMFNV-LURJTMIESA-N 2 0 262.264 -1.051 20 0 CAADRP [NH3+]CCN(CCO)C(=O)NCC1([NH3+])CCOCC1 ZINC001118861312 779590868 /nfs/dbraw/zinc/59/08/68/779590868.db2.gz FEDDQICKNKCZNF-UHFFFAOYSA-N 2 0 260.338 -1.543 20 0 CAADRP CN(CCOCC[NH3+])C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC001118862200 779591053 /nfs/dbraw/zinc/59/10/53/779591053.db2.gz VJRWWVSJXMNMKX-JTQLQIEISA-N 2 0 260.338 -1.409 20 0 CAADRP C[NH+]1CCN(CCCS(=O)(=O)NCCC[NH3+])CC1 ZINC001118932902 779598399 /nfs/dbraw/zinc/59/83/99/779598399.db2.gz DWTKCTAJUNSBBN-UHFFFAOYSA-N 2 0 278.422 -1.108 20 0 CAADRP C[NH2+]CCOCCN(C)C(=O)[C@@H](N)CC[NH+](C)C ZINC001119243503 779608697 /nfs/dbraw/zinc/60/86/97/779608697.db2.gz UTVJMSHZWQPSJP-NSHDSACASA-N 2 0 260.382 -1.040 20 0 CAADRP COC[C@]1(C(=O)N2CCC([NH3+])CC2)C[NH2+]CCO1 ZINC001119232274 779609040 /nfs/dbraw/zinc/60/90/40/779609040.db2.gz CJVBFKKXOLRFHW-LBPRGKRZSA-N 2 0 257.334 -1.059 20 0 CAADRP C[NH2+]C[C@@H](C)CNC(=O)[C@]1(COC)C[NH2+]CCO1 ZINC001119234838 779609155 /nfs/dbraw/zinc/60/91/55/779609155.db2.gz GJFPDEAACYIPIT-ZYHUDNBSSA-N 2 0 259.350 -1.037 20 0 CAADRP [NH3+]C1(CNC(=O)CN2CC[NH2+]CC2)CCOCC1 ZINC001119300486 779611118 /nfs/dbraw/zinc/61/11/18/779611118.db2.gz WVGWWWRRDSEJES-UHFFFAOYSA-N 2 0 256.350 -1.484 20 0 CAADRP [NH3+][C@@]1(CO)CCCN(CC(=O)N2CC[NH2+]CC2)C1 ZINC001119617825 779619788 /nfs/dbraw/zinc/61/97/88/779619788.db2.gz WNSJPDIAGNURSR-LBPRGKRZSA-N 2 0 256.350 -1.796 20 0 CAADRP COCC[N@H+](C)C[C@@H](O)CN1CC[NH2+]CC[NH2+]CC1 ZINC001119682683 779623168 /nfs/dbraw/zinc/62/31/68/779623168.db2.gz QXNFJJPSXOKKMR-CYBMUJFWSA-N 3 0 274.409 -1.580 20 0 CAADRP COC[C@@H]1C[NH2+]CCN1C(=O)[C@H](N)CC[NH+](C)C ZINC001122332095 779665295 /nfs/dbraw/zinc/66/52/95/779665295.db2.gz OGRBRBVGZIBASQ-WDEREUQCSA-N 2 0 258.366 -1.288 20 0 CAADRP O=C(NC[C@H]1COCC[NH2+]1)N1CCNCC[NH2+]CC1 ZINC001120551648 779641403 /nfs/dbraw/zinc/64/14/03/779641403.db2.gz YKMDXDMXFGITFS-NSHDSACASA-N 2 0 271.365 -1.821 20 0 CAADRP CN(CC[NH+](C)C)C(=O)C(=O)N[C@H]1C[C@H](C[NH3+])C1 ZINC001120543034 779641850 /nfs/dbraw/zinc/64/18/50/779641850.db2.gz TXCNMMXDRUKOLZ-MGCOHNPYSA-N 2 0 256.350 -1.140 20 0 CAADRP C[NH2+]CCOCCNC(=O)NCCN1CCC([NH3+])CC1 ZINC001120551716 779641862 /nfs/dbraw/zinc/64/18/62/779641862.db2.gz ZSIBPSFGQXASDY-UHFFFAOYSA-N 2 0 287.408 -1.055 20 0 CAADRP C[C@@H]1C[NH2+]C[C@H]1NC(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC001120554247 779642116 /nfs/dbraw/zinc/64/21/16/779642116.db2.gz ICFMHMMCCCYSHX-OUAUKWLOSA-N 2 0 255.366 -1.121 20 0 CAADRP C[NH+](C)CCCNC(=O)[C@@H]1CC(=O)N(C2C[NH2+]C2)C1 ZINC001121898045 779653084 /nfs/dbraw/zinc/65/30/84/779653084.db2.gz UNWYIJLQWSDQEK-SNVBAGLBSA-N 2 0 268.361 -1.125 20 0 CAADRP CN1CC[NH2+]C[C@@H]1C(=O)N[C@H](CC[NH3+])C(F)F ZINC001121943643 779654352 /nfs/dbraw/zinc/65/43/52/779654352.db2.gz LPXMUHMZZGGILJ-HTQZYQBOSA-N 2 0 250.293 -1.011 20 0 CAADRP [NH3+]C[C@@H](O)CC(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC001122020609 779654885 /nfs/dbraw/zinc/65/48/85/779654885.db2.gz IGELNJSIUTULRF-MNOVXSKESA-N 2 0 256.350 -1.798 20 0 CAADRP [NH3+]C[C@H]1CN(C(=O)C[C@@]2(O)CCC[NH2+]C2)CCO1 ZINC001122014994 779655144 /nfs/dbraw/zinc/65/51/44/779655144.db2.gz IUHHTOAZQXGONQ-JQWIXIFHSA-N 2 0 257.334 -1.323 20 0 CAADRP COCCC[N@H+](C)CCNC(=O)[C@H]1C[NH2+]CCN1C ZINC001122002792 779655227 /nfs/dbraw/zinc/65/52/27/779655227.db2.gz KOJIXOYVVZWTFV-GFCCVEGCSA-N 2 0 272.393 -1.026 20 0 CAADRP O=C(NCC1(O)C[NH2+]C1)[C@@H]1[NH2+]CC12CCOCC2 ZINC001122055744 779655405 /nfs/dbraw/zinc/65/54/05/779655405.db2.gz NATJQHRMYJXQSF-VIFPVBQESA-N 2 0 255.318 -1.795 20 0 CAADRP [NH3+]C[C@@H]1CN(C(=O)C[C@]2(O)CCC[NH2+]C2)CCO1 ZINC001122014999 779655426 /nfs/dbraw/zinc/65/54/26/779655426.db2.gz IUHHTOAZQXGONQ-ZYHUDNBSSA-N 2 0 257.334 -1.323 20 0 CAADRP O=C(NCC1(O)C[NH2+]C1)[C@H]1[NH2+]CC12CCOCC2 ZINC001122055743 779655438 /nfs/dbraw/zinc/65/54/38/779655438.db2.gz NATJQHRMYJXQSF-SECBINFHSA-N 2 0 255.318 -1.795 20 0 CAADRP O=C(/C=C/CN1CCOCC1)N[C@H]1C[NH2+]C[C@H]1O ZINC001122078996 779656032 /nfs/dbraw/zinc/65/60/32/779656032.db2.gz FBPPBFIAJCFXEC-ATOIVCMTSA-N 2 0 255.318 -1.676 20 0 CAADRP O=C(NCC1(O)C[NH2+]C1)[C@H]1CC(=O)N(C2C[NH2+]C2)C1 ZINC001122056365 779656292 /nfs/dbraw/zinc/65/62/92/779656292.db2.gz SPCXHLIAFHPXNV-QMMMGPOBSA-N 2 0 268.317 -2.743 20 0 CAADRP C[NH2+]C[C@H](O)[C@H](C)C(=O)N1CCCO[C@H](C[NH3+])C1 ZINC001122070808 779656324 /nfs/dbraw/zinc/65/63/24/779656324.db2.gz ZIONRGKTGIUQEU-AXFHLTTASA-N 2 0 259.350 -1.221 20 0 CAADRP C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)NCCOCCC[NH3+] ZINC001122095302 779657129 /nfs/dbraw/zinc/65/71/29/779657129.db2.gz AZLFRTUAKZUBTM-NEPJUHHUSA-N 2 0 270.377 -1.144 20 0 CAADRP CN(CCOCC[NH3+])C(=O)C[C@@]1(O)CCC[NH2+]C1 ZINC001122096399 779657256 /nfs/dbraw/zinc/65/72/56/779657256.db2.gz RGKVSENTTKFTAS-LBPRGKRZSA-N 2 0 259.350 -1.075 20 0 CAADRP C[C@H]1CN2CC[N@@H+]1C[C@H]2C(=O)NCCOCCC[NH3+] ZINC001122095304 779657302 /nfs/dbraw/zinc/65/73/02/779657302.db2.gz AZLFRTUAKZUBTM-RYUDHWBXSA-N 2 0 270.377 -1.144 20 0 CAADRP C[C@@]1(C(=O)N2CCOC3(C[NH2+]C3)C2)C[C@H](O)C[NH2+]1 ZINC001122081373 779657356 /nfs/dbraw/zinc/65/73/56/779657356.db2.gz BUEFKBSFOQGWAE-ONGXEEELSA-N 2 0 255.318 -1.700 20 0 CAADRP COCC[C@@H]([NH3+])C(=O)N1CCC[C@@H]([NH2+]CCO)C1 ZINC001122094618 779657536 /nfs/dbraw/zinc/65/75/36/779657536.db2.gz OJXICRVFXSDOMB-GHMZBOCLSA-N 2 0 259.350 -1.077 20 0 CAADRP C[C@@]1(C(=O)N2CCOC3(C[NH2+]C3)C2)C[C@@H](O)C[NH2+]1 ZINC001122081371 779657680 /nfs/dbraw/zinc/65/76/80/779657680.db2.gz BUEFKBSFOQGWAE-KOLCDFICSA-N 2 0 255.318 -1.700 20 0 CAADRP COCC[C@@H]([NH3+])C(=O)N1CCC[C@H]([NH2+]CCO)C1 ZINC001122094621 779657694 /nfs/dbraw/zinc/65/76/94/779657694.db2.gz OJXICRVFXSDOMB-WDEREUQCSA-N 2 0 259.350 -1.077 20 0 CAADRP C[C@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)NCCOCCC[NH3+] ZINC001122095303 779657728 /nfs/dbraw/zinc/65/77/28/779657728.db2.gz AZLFRTUAKZUBTM-NWDGAFQWSA-N 2 0 270.377 -1.144 20 0 CAADRP CN1CC[NH2+]C[C@@H]1C(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC001122119334 779658458 /nfs/dbraw/zinc/65/84/58/779658458.db2.gz NPQOQJFROXPCAD-DMDPSCGWSA-N 2 0 252.362 -1.042 20 0 CAADRP CN(CCC[NH3+])C(=O)[C@H]1CC(=O)N(C2C[NH2+]C2)C1 ZINC001122110794 779658708 /nfs/dbraw/zinc/65/87/08/779658708.db2.gz LQXZSVGPPSYMNE-VIFPVBQESA-N 2 0 254.334 -1.386 20 0 CAADRP [NH3+]CCCn1ccc(C(=O)N2CC[NH2+]C[C@@H]2CO)n1 ZINC001122124382 779658842 /nfs/dbraw/zinc/65/88/42/779658842.db2.gz KSSUEMFOWSLBFQ-SNVBAGLBSA-N 2 0 267.333 -1.362 20 0 CAADRP C[NH2+]C[C@@H](O)CN(C)C(=O)[C@@]1(C[NH3+])CCCOC1 ZINC001122100202 779659008 /nfs/dbraw/zinc/65/90/08/779659008.db2.gz NKMNIMKHGXYLEP-ZYHUDNBSSA-N 2 0 259.350 -1.219 20 0 CAADRP CN1CC[NH2+]C[C@H]1C(=O)NC1(C[NH3+])CCOCC1 ZINC001122172452 779659449 /nfs/dbraw/zinc/65/94/49/779659449.db2.gz VCYZAGJHSGGBPC-JTQLQIEISA-N 2 0 256.350 -1.486 20 0 CAADRP C[NH2+]CCOCCNC(=O)[C@@H]1C[N@@H+]2CCN1C[C@@H]2C ZINC001122169192 779659496 /nfs/dbraw/zinc/65/94/96/779659496.db2.gz XKZDBUMIDMMTCM-RYUDHWBXSA-N 2 0 270.377 -1.273 20 0 CAADRP [NH3+]C[C@]1(C(=O)N[C@@H]2COC3(C[NH2+]C3)C2)CCCOC1 ZINC001122142357 779659523 /nfs/dbraw/zinc/65/95/23/779659523.db2.gz ODJDGFSCPKYWMC-CMPLNLGQSA-N 2 0 269.345 -1.011 20 0 CAADRP C[NH2+]CCOCCNC(=O)[C@@H]1C[N@@H+]2CCN1C[C@H]2C ZINC001122169190 779659679 /nfs/dbraw/zinc/65/96/79/779659679.db2.gz XKZDBUMIDMMTCM-NEPJUHHUSA-N 2 0 270.377 -1.273 20 0 CAADRP COC[C@@]1(C(=O)N[C@@H]2C[NH2+]C[C@H]2C)C[NH2+]CCO1 ZINC001122141235 779659705 /nfs/dbraw/zinc/65/97/05/779659705.db2.gz VWKSXOLWQFFIQC-CKYFFXLPSA-N 2 0 257.334 -1.285 20 0 CAADRP COC[C@]1(C(=O)N[C@@H]2C[NH2+]C[C@H]2C)C[NH2+]CCO1 ZINC001122141238 779660038 /nfs/dbraw/zinc/66/00/38/779660038.db2.gz VWKSXOLWQFFIQC-FOGDFJRCSA-N 2 0 257.334 -1.285 20 0 CAADRP C[C@H]1CN2CC[N@@H+]1C[C@H]2C(=O)N(C)CCOCC[NH3+] ZINC001122172971 779660679 /nfs/dbraw/zinc/66/06/79/779660679.db2.gz ZBNFWSYQPJKATF-RYUDHWBXSA-N 2 0 270.377 -1.192 20 0 CAADRP C[NH2+]C[C@@H](O)CN(C)C(=O)COC1CC[NH2+]CC1 ZINC001122182505 779661026 /nfs/dbraw/zinc/66/10/26/779661026.db2.gz QHIJJELVNADUPS-SNVBAGLBSA-N 2 0 259.350 -1.206 20 0 CAADRP O=C([C@@H]1[NH2+]CC12CCOCC2)N1CCNCC[NH2+]CC1 ZINC001122200375 779661068 /nfs/dbraw/zinc/66/10/68/779661068.db2.gz ICBMXHHCUXENQP-LBPRGKRZSA-N 2 0 282.388 -1.224 20 0 CAADRP C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)N(C)CCOCC[NH3+] ZINC001122172967 779661245 /nfs/dbraw/zinc/66/12/45/779661245.db2.gz ZBNFWSYQPJKATF-NEPJUHHUSA-N 2 0 270.377 -1.192 20 0 CAADRP C[C@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)N1CCNCC[NH2+]CC1 ZINC001122288744 779662986 /nfs/dbraw/zinc/66/29/86/779662986.db2.gz NCFBFJGBCNZRLU-QWHCGFSZSA-N 2 0 281.404 -1.604 20 0 CAADRP CC1(C)C[NH2+]C[C@H]1NC(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC001122276532 779663056 /nfs/dbraw/zinc/66/30/56/779663056.db2.gz NSKZFSYKBKOKJJ-VHSXEESVSA-N 2 0 268.361 -1.031 20 0 CAADRP CC1(C)C[NH2+]C[C@@H]1NC(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC001122276534 779663131 /nfs/dbraw/zinc/66/31/31/779663131.db2.gz NSKZFSYKBKOKJJ-ZJUUUORDSA-N 2 0 268.361 -1.031 20 0 CAADRP O=C(C1=NO[C@]2(C1)CCC[NH2+]C2)N1CCNCC[NH2+]CC1 ZINC001122288276 779663162 /nfs/dbraw/zinc/66/31/62/779663162.db2.gz QIXIJKJCEODZKZ-AWEZNQCLSA-N 2 0 295.387 -1.094 20 0 CAADRP C[C@H]1CN2CC[N@@H+]1C[C@H]2C(=O)N1CCNCC[NH2+]CC1 ZINC001122288745 779663326 /nfs/dbraw/zinc/66/33/26/779663326.db2.gz NCFBFJGBCNZRLU-STQMWFEESA-N 2 0 281.404 -1.604 20 0 CAADRP COCC[C@@H]1C[NH2+]CCN1C(=O)[C@@H]1C[NH2+]CCO1 ZINC001122312768 779664546 /nfs/dbraw/zinc/66/45/46/779664546.db2.gz JTEGOURFQTUCSH-MNOVXSKESA-N 2 0 257.334 -1.188 20 0 CAADRP COC[C@@H]1C[NH2+]CCN1C(=O)[C@@H](N)CC[NH+](C)C ZINC001122332092 779665315 /nfs/dbraw/zinc/66/53/15/779665315.db2.gz OGRBRBVGZIBASQ-QWRGUYRKSA-N 2 0 258.366 -1.288 20 0 CAADRP COC[C@H]1C[NH2+]CCN1C(=O)[C@@H](N)CC[NH+](C)C ZINC001122332090 779665592 /nfs/dbraw/zinc/66/55/92/779665592.db2.gz OGRBRBVGZIBASQ-MNOVXSKESA-N 2 0 258.366 -1.288 20 0 CAADRP COC[C@@H]1C[NH2+]CCN1C(=O)c1cn(CC[NH3+])nn1 ZINC001122331579 779665793 /nfs/dbraw/zinc/66/57/93/779665793.db2.gz LYENXUHSOPWWFI-VIFPVBQESA-N 2 0 268.321 -1.703 20 0 CAADRP O=C(N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO)C1(O)C[NH2+]C1 ZINC001122442453 779668607 /nfs/dbraw/zinc/66/86/07/779668607.db2.gz PLMDNIIUCYSIOH-QWRGUYRKSA-N 2 0 269.345 -1.622 20 0 CAADRP CO[C@@H](C[NH3+])C(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCN1C ZINC001122449683 779668760 /nfs/dbraw/zinc/66/87/60/779668760.db2.gz WPKMRRMFJVNEOS-DCAQKATOSA-N 2 0 258.366 -1.289 20 0 CAADRP C[C@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)NCCN1CC[NH+](C)CC1 ZINC001123484349 779689359 /nfs/dbraw/zinc/68/93/59/779689359.db2.gz RRGJLJXIPJNBIX-UONOGXRCSA-N 2 0 295.431 -1.262 20 0 CAADRP CNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001124877101 779719407 /nfs/dbraw/zinc/71/94/07/779719407.db2.gz BOKISNBWTUGVFN-UWVGGRQHSA-N 2 0 256.350 -1.079 20 0 CAADRP C[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]CCN1CCNC1=O ZINC001124879491 779718894 /nfs/dbraw/zinc/71/88/94/779718894.db2.gz VBDQLWIPCCHNEZ-NSHDSACASA-N 2 0 283.376 -1.188 20 0 CAADRP C[C@@H]([NH2+]CCNC(=O)[C@@H]1CCC[N@@H+]1C)C(=O)NC(N)=O ZINC001124866344 779718927 /nfs/dbraw/zinc/71/89/27/779718927.db2.gz AOQJJLFUGKEVIZ-BDAKNGLRSA-N 2 0 285.348 -1.630 20 0 CAADRP COC[C@H](O)C[NH2+]CCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001124877638 779719166 /nfs/dbraw/zinc/71/91/66/779719166.db2.gz HIZNJHQYLWMMTN-GHMZBOCLSA-N 2 0 259.350 -1.206 20 0 CAADRP C[C@@H]([NH2+]CCNC(=O)[C@H]1CCC[N@@H+]1C)C(=O)NC(N)=O ZINC001124866347 779719320 /nfs/dbraw/zinc/71/93/20/779719320.db2.gz AOQJJLFUGKEVIZ-RKDXNWHRSA-N 2 0 285.348 -1.630 20 0 CAADRP C[N@@H+]1CCC[C@@H]1C(=O)NCC[NH2+]CC(=O)NC(N)=O ZINC001124873281 779719891 /nfs/dbraw/zinc/71/98/91/779719891.db2.gz VLWKUECLVBLIAC-MRVPVSSYSA-N 2 0 271.321 -2.019 20 0 CAADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)[C@@H]1C[NH2+]CCO1 ZINC000225355678 779729651 /nfs/dbraw/zinc/72/96/51/779729651.db2.gz AZSAAYLHCSZFET-QWRGUYRKSA-N 2 0 256.350 -1.663 20 0 CAADRP CN(C(=O)[C@H]([NH3+])CCCNC(N)=O)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001161217492 779743619 /nfs/dbraw/zinc/74/36/19/779743619.db2.gz DBNLDXDEFYOBDU-RGOKHQFPSA-N 2 0 269.349 -1.562 20 0 CAADRP CN(C(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001161217960 779744119 /nfs/dbraw/zinc/74/41/19/779744119.db2.gz GIBNBXSSNRGDMF-VXUPGSCNSA-N 3 0 264.373 -1.138 20 0 CAADRP Cc1cn(CC(=O)N(CCCC[NH3+])C(N)=[NH2+])c(=O)[nH]c1=O ZINC001142319364 779756647 /nfs/dbraw/zinc/75/66/47/779756647.db2.gz PFAPOOSWILOYMM-UHFFFAOYSA-N 2 0 296.331 -1.282 20 0 CAADRP CN1CC[NH+](CCC(=O)NCC[NH2+]CCO)CC1 ZINC001143236733 779769581 /nfs/dbraw/zinc/76/95/81/779769581.db2.gz RZSADBWEZZEDAK-UHFFFAOYSA-N 2 0 258.366 -1.678 20 0 CAADRP CC[C@@H]([NH2+]CCNC(=O)[C@H]1CC[N@H+](C)C1)C(N)=O ZINC001151064369 779801682 /nfs/dbraw/zinc/80/16/82/779801682.db2.gz ARMUPYBNBBGPAZ-VHSXEESVSA-N 2 0 256.350 -1.092 20 0 CAADRP C[N@@H+]1CC[C@H](C(=O)NCC[NH2+]CC(=O)NC2CC2)C1 ZINC001151049207 779801912 /nfs/dbraw/zinc/80/19/12/779801912.db2.gz KBETVNPZJWMLOM-JTQLQIEISA-N 2 0 268.361 -1.078 20 0 CAADRP Cn1nncc1C[NH2+]CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001151048955 779801935 /nfs/dbraw/zinc/80/19/35/779801935.db2.gz FRCHAXVCKVRCBD-SNVBAGLBSA-N 2 0 266.349 -1.027 20 0 CAADRP CNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001151049166 779802022 /nfs/dbraw/zinc/80/20/22/779802022.db2.gz IXTILRHKVDQLFS-VIFPVBQESA-N 2 0 285.348 -1.901 20 0 CAADRP C[N@@H+]1CC[C@H](C(=O)NCC[NH2+]CCOCCO)C1 ZINC001151055704 779802130 /nfs/dbraw/zinc/80/21/30/779802130.db2.gz HKNAQPCKKVTNPX-NSHDSACASA-N 2 0 259.350 -1.347 20 0 CAADRP COC[C@@H](O)C[NH2+]CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001151058102 779802398 /nfs/dbraw/zinc/80/23/98/779802398.db2.gz WIDRNKOPNMDCRU-QWRGUYRKSA-N 2 0 259.350 -1.349 20 0 CAADRP CCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001151049568 779802450 /nfs/dbraw/zinc/80/24/50/779802450.db2.gz SBIMVBGUGQQSOT-SNVBAGLBSA-N 2 0 299.375 -1.510 20 0 CAADRP C[N@@H+]1CC[C@H](C(=O)NCC[NH2+]CCN2C(=O)CNC2=O)C1 ZINC001151064643 779802584 /nfs/dbraw/zinc/80/25/84/779802584.db2.gz CJUYXKQEZMXEFX-JTQLQIEISA-N 2 0 297.359 -1.804 20 0 CAADRP C[N@@H+]1CC[C@@H](C(=O)NCC[NH2+]CCS(C)(=O)=O)C1 ZINC001151049798 779803237 /nfs/dbraw/zinc/80/32/37/779803237.db2.gz ZEXOCZNLDRKNIJ-SNVBAGLBSA-N 2 0 277.390 -1.312 20 0 CAADRP C[N@@H+]1CC[C@H](C(=O)NCC[NH2+][C@@H]2CCCNC2=O)C1 ZINC001151049547 779803285 /nfs/dbraw/zinc/80/32/85/779803285.db2.gz RQHCAIRPUYMXKB-WDEREUQCSA-N 2 0 268.361 -1.078 20 0 CAADRP CN(C)C(=O)C[NH2+]CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001151049261 779803391 /nfs/dbraw/zinc/80/33/91/779803391.db2.gz LTXUZAHALCWYEN-JTQLQIEISA-N 2 0 256.350 -1.268 20 0 CAADRP C[N@@H+]1CC[C@@H](C(=O)NCC[NH2+]C[C@@H](O)Cn2cccn2)C1 ZINC001151073112 779803527 /nfs/dbraw/zinc/80/35/27/779803527.db2.gz GICBLVVVVPOAKK-CHWSQXEVSA-N 2 0 295.387 -1.099 20 0 CAADRP C[N@@H+]1CC[C@H](C(=O)NCC[NH2+]C[C@@H](O)Cn2cccn2)C1 ZINC001151073115 779803585 /nfs/dbraw/zinc/80/35/85/779803585.db2.gz GICBLVVVVPOAKK-QWHCGFSZSA-N 2 0 295.387 -1.099 20 0 CAADRP COC[C@@H](O)C[NH2+]CCNC(=O)C[NH+]1CCCC1 ZINC001151098401 779804299 /nfs/dbraw/zinc/80/42/99/779804299.db2.gz ZOJYMJMLWLNKJV-NSHDSACASA-N 2 0 259.350 -1.205 20 0 CAADRP O=C(C[NH+]1CCCC1)NCC[NH2+]CCN1CCNC1=O ZINC001151101053 779804311 /nfs/dbraw/zinc/80/43/11/779804311.db2.gz KBWFGQIJTXRNLV-UHFFFAOYSA-N 2 0 283.376 -1.187 20 0 CAADRP O=C(C[NH+]1CCCC1)NCC[NH2+]CC(=O)N1CCOCC1 ZINC001151097272 779804359 /nfs/dbraw/zinc/80/43/59/779804359.db2.gz MJFXTUPOQSQEKI-UHFFFAOYSA-N 2 0 298.387 -1.353 20 0 CAADRP C[C@H]([NH2+]CCNC(=O)C[NH+]1CCCC1)C(=O)NC(N)=O ZINC001151106614 779805040 /nfs/dbraw/zinc/80/50/40/779805040.db2.gz FBZKVUNOFCFNCT-VIFPVBQESA-N 2 0 285.348 -1.629 20 0 CAADRP CNC(=O)[C@@H](C)[NH2+]CCNC(=O)C[NH+]1CCCC1 ZINC001151100424 779805123 /nfs/dbraw/zinc/80/51/23/779805123.db2.gz CSZOGHBYAPTGKL-SNVBAGLBSA-N 2 0 256.350 -1.078 20 0 CAADRP C[C@H]([NH2+]CCNC(=O)[C@H]1CC[N@H+](C)C1)C(=O)NC(N)=O ZINC001151074379 779805301 /nfs/dbraw/zinc/80/53/01/779805301.db2.gz XLGRCWRYYSUNOD-IUCAKERBSA-N 2 0 285.348 -1.773 20 0 CAADRP C[C@H](C[NH+]1CCOCC1)C(=O)NCC[NH2+][C@H]1CCNC1=O ZINC001151157952 779805915 /nfs/dbraw/zinc/80/59/15/779805915.db2.gz NQDZUGBPEDGPNE-NEPJUHHUSA-N 2 0 298.387 -1.451 20 0 CAADRP C[C@@H](C[NH+]1CCOCC1)C(=O)NCC[NH2+]CCO ZINC001151158518 779806149 /nfs/dbraw/zinc/80/61/49/779806149.db2.gz PCNPDSJXBOTSMM-NSHDSACASA-N 2 0 259.350 -1.347 20 0 CAADRP C[C@@H](C[NH+]1CCOCC1)C(=O)NCC[NH2+]CC(N)=O ZINC001151156801 779806460 /nfs/dbraw/zinc/80/64/60/779806460.db2.gz HDGPIVOFYVEWTI-JTQLQIEISA-N 2 0 272.349 -1.854 20 0 CAADRP C[C@H](C[NH+]1CCOCC1)C(=O)NCC[NH2+][C@@H]1CCNC1=O ZINC001151157955 779806645 /nfs/dbraw/zinc/80/66/45/779806645.db2.gz NQDZUGBPEDGPNE-VXGBXAGGSA-N 2 0 298.387 -1.451 20 0 CAADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCC[NH2+]CC(=O)NC(N)=O ZINC001152147419 779820684 /nfs/dbraw/zinc/82/06/84/779820684.db2.gz NFUCLFMGTYKLKX-AOOOYVTPSA-N 2 0 299.375 -1.240 20 0 CAADRP CC(C)[N@H+](C)CC(=O)NCC[NH2+]CC(=O)NC(N)=O ZINC001152433242 779824343 /nfs/dbraw/zinc/82/43/43/779824343.db2.gz ZGLFOAZICHGYLT-UHFFFAOYSA-N 2 0 273.337 -1.773 20 0 CAADRP CS(=O)(=O)N(CC[NH3+])c1ncc2c(n1)CC[NH2+]C2 ZINC001154765933 779865146 /nfs/dbraw/zinc/86/51/46/779865146.db2.gz NESZGWRPQPPHAG-UHFFFAOYSA-N 2 0 271.346 -1.153 20 0 CAADRP Cn1[nH]c(C[NH2+]CCCNC(=O)[C@@H]2CCC[N@@H+]2C)nc1=O ZINC001155790978 779876020 /nfs/dbraw/zinc/87/60/20/779876020.db2.gz QDAOGNDHTMTSBK-JTQLQIEISA-N 2 0 296.375 -1.202 20 0 CAADRP CNC(=O)C[NH2+]CCCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001155789895 779876129 /nfs/dbraw/zinc/87/61/29/779876129.db2.gz GXCMQEHWHJPLJL-JTQLQIEISA-N 2 0 256.350 -1.078 20 0 CAADRP CNC(=O)C[NH2+]CCCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001155789896 779876171 /nfs/dbraw/zinc/87/61/71/779876171.db2.gz GXCMQEHWHJPLJL-SNVBAGLBSA-N 2 0 256.350 -1.078 20 0 CAADRP C[C@@H]([NH2+]CCCNC(=O)[C@@H]1CCC[N@@H+]1C)C(=O)NC(N)=O ZINC001155821918 779877329 /nfs/dbraw/zinc/87/73/29/779877329.db2.gz FDNLZGMJZISAFO-ZJUUUORDSA-N 2 0 299.375 -1.240 20 0 CAADRP Cn1nnnc1C[NH2+]CCCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001155791603 779877532 /nfs/dbraw/zinc/87/75/32/779877532.db2.gz XRTZPRILACLRIL-SNVBAGLBSA-N 2 0 281.364 -1.100 20 0 CAADRP C[N@@H+]1CCC[C@@H]1C(=O)NCCC[NH2+][C@@H]1CCC(=O)NC1=O ZINC001155795526 779878044 /nfs/dbraw/zinc/87/80/44/779878044.db2.gz HSBBDQUTDBTOSZ-GHMZBOCLSA-N 2 0 296.371 -1.018 20 0 CAADRP C[NH+]1CCN(c2nccc(-n3nnc(CC[NH3+])n3)n2)CC1 ZINC001156989307 779893032 /nfs/dbraw/zinc/89/30/32/779893032.db2.gz GXNZGPXBLVGTDQ-UHFFFAOYSA-N 2 0 289.347 -1.295 20 0 CAADRP CNC(=O)[C@H](CCCC[NH3+])NC(=O)CN(C)C(N)=[NH2+] ZINC001157323604 779899390 /nfs/dbraw/zinc/89/93/90/779899390.db2.gz UZHKHOBZAOHKGA-QMMMGPOBSA-N 2 0 272.353 -1.829 20 0 CAADRP CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H]1C[C@H](O)C[NH2+]1 ZINC001157323153 779899482 /nfs/dbraw/zinc/89/94/82/779899482.db2.gz BXUYMAWXFFMXTO-GUBZILKMSA-N 2 0 272.349 -1.931 20 0 CAADRP CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H]1CCC2(C[NH2+]C2)O1 ZINC001157323662 779899493 /nfs/dbraw/zinc/89/94/93/779899493.db2.gz VEFBIJWAUFGOTK-QWRGUYRKSA-N 2 0 298.387 -1.133 20 0 CAADRP CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H]1C[C@@H](O)C[NH2+]1 ZINC001157323154 779899597 /nfs/dbraw/zinc/89/95/97/779899597.db2.gz BXUYMAWXFFMXTO-KXUCPTDWSA-N 2 0 272.349 -1.931 20 0 CAADRP CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H]([NH3+])Cc1cnc[nH]1 ZINC001157323940 779899688 /nfs/dbraw/zinc/89/96/88/779899688.db2.gz BAECXVNAHYWPQP-MNOVXSKESA-N 2 0 296.375 -1.361 20 0 CAADRP CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](C[NH3+])OC ZINC001157335080 779899706 /nfs/dbraw/zinc/89/97/06/779899706.db2.gz CWAAEDWINCCUMT-IUCAKERBSA-N 2 0 260.338 -1.680 20 0 CAADRP CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@]12C[NH2+]C[C@H]1CCN2 ZINC001157322943 779899752 /nfs/dbraw/zinc/89/97/52/779899752.db2.gz FPRGFSBLBGDYEM-SUNKGSAMSA-N 2 0 297.403 -1.702 20 0 CAADRP CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H]1C[NH2+]CCN1 ZINC001157335236 779899795 /nfs/dbraw/zinc/89/97/95/779899795.db2.gz DTDPMAFDYNDQSL-VHSXEESVSA-N 2 0 271.365 -2.092 20 0 CAADRP CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H]1[NH2+]C[C@H]2C[C@H]21 ZINC001157324370 779899830 /nfs/dbraw/zinc/89/98/30/779899830.db2.gz XVDQVHMNHGGQDB-CHWFTXMASA-N 2 0 268.361 -1.046 20 0 CAADRP CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC001157323896 779899858 /nfs/dbraw/zinc/89/98/58/779899858.db2.gz ZSFBNCBMTIEAPT-MJVIPROJSA-N 2 0 298.387 -1.418 20 0 CAADRP CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@]12C[NH2+]C[C@@H]1CCN2 ZINC001157322942 779899943 /nfs/dbraw/zinc/89/99/43/779899943.db2.gz FPRGFSBLBGDYEM-MJVIPROJSA-N 2 0 297.403 -1.702 20 0 CAADRP CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H]1C[NH2+]CCN1C ZINC001157344718 779900669 /nfs/dbraw/zinc/90/06/69/779900669.db2.gz UPIOMULIHBBMCR-WDEREUQCSA-N 2 0 285.392 -1.750 20 0 CAADRP CCOC(=O)CC1([NH3+])CCN(C(=O)C[C@@H](O)C[NH3+])CC1 ZINC001157448821 779902584 /nfs/dbraw/zinc/90/25/84/779902584.db2.gz LFGZGGLPTUJTRV-SNVBAGLBSA-N 2 0 287.360 -1.031 20 0 CAADRP CCOC(=O)CC1([NH3+])CCN(C(=O)[C@@]2(N)CC[NH2+]C2)CC1 ZINC001157448623 779902715 /nfs/dbraw/zinc/90/27/15/779902715.db2.gz CHSHHLMOPCFTDU-CQSZACIVSA-N 2 0 298.387 -1.050 20 0 CAADRP Cn1ccnc1CCNC(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001157424231 779903190 /nfs/dbraw/zinc/90/31/90/779903190.db2.gz WZSXAVWEXGXJLQ-GFCCVEGCSA-N 2 0 294.403 -1.171 20 0 CAADRP Cc1cc(N(C(N)=[NH2+])C(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)n[nH]1 ZINC001157439568 779903495 /nfs/dbraw/zinc/90/34/95/779903495.db2.gz KGVHFSPAVHLSNX-QMMMGPOBSA-N 3 0 277.332 -1.246 20 0 CAADRP CCOC(=O)CC1([NH3+])CCN(C(=O)[C@H]2[NH2+]CC[C@@H]2O)CC1 ZINC001157449375 779903593 /nfs/dbraw/zinc/90/35/93/779903593.db2.gz ZYHUMMWIWCVRJW-JQWIXIFHSA-N 2 0 299.371 -1.018 20 0 CAADRP CN1CCN(C(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)CC1=O ZINC001157485429 779904454 /nfs/dbraw/zinc/90/44/54/779904454.db2.gz NCHIJEBTFYEDIW-VIFPVBQESA-N 2 0 252.318 -1.904 20 0 CAADRP [NH3+]CCC[C@H]([NH3+])C(=O)N1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC001157496191 779905777 /nfs/dbraw/zinc/90/57/77/779905777.db2.gz CSGFKPXYLZTNLX-NWDGAFQWSA-N 2 0 298.387 -1.098 20 0 CAADRP CNC(=O)C1CCN(C(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)CC1 ZINC001157495990 779905788 /nfs/dbraw/zinc/90/57/88/779905788.db2.gz RDQGBLYJDYIYHN-LLVKDONJSA-N 2 0 280.372 -1.220 20 0 CAADRP [NH3+]CCC[C@@H]([NH3+])C(=O)N1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC001157496190 779905837 /nfs/dbraw/zinc/90/58/37/779905837.db2.gz CSGFKPXYLZTNLX-NEPJUHHUSA-N 2 0 298.387 -1.098 20 0 CAADRP [NH3+]CCC[C@H]([NH3+])C(=O)N1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC001157496367 779905848 /nfs/dbraw/zinc/90/58/48/779905848.db2.gz CSGFKPXYLZTNLX-RYUDHWBXSA-N 2 0 298.387 -1.098 20 0 CAADRP COC(=O)N1CCN(C(=O)[C@H]([NH3+])CCC[NH3+])CC1 ZINC001157508764 779906512 /nfs/dbraw/zinc/90/65/12/779906512.db2.gz ZXXJDEURUNRWNF-SECBINFHSA-N 2 0 258.322 -1.037 20 0 CAADRP COC(=O)N1CCN(C(=O)[C@@H]([NH3+])CSCC[NH3+])CC1 ZINC001157506974 779906774 /nfs/dbraw/zinc/90/67/74/779906774.db2.gz CCDUVTCMTXVATR-VIFPVBQESA-N 2 0 290.389 -1.084 20 0 CAADRP O=C([C@@H]1C[NH2+]CC12C[NH2+]C2)N1CCn2cnnc2C1 ZINC001157508352 779906919 /nfs/dbraw/zinc/90/69/19/779906919.db2.gz SOSZOKMYVRTJJJ-VIFPVBQESA-N 2 0 262.317 -1.571 20 0 CAADRP O=C(N1CCn2cnnc2C1)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001157508702 779907055 /nfs/dbraw/zinc/90/70/55/779907055.db2.gz XBIKEOVVUSZVOS-ZWNOBZJWSA-N 2 0 276.344 -1.181 20 0 CAADRP O=C([C@@H]1C[NH2+]CC12C[NH2+]C2)N1CC(N2CC(F)C2)C1 ZINC001157527322 779907893 /nfs/dbraw/zinc/90/78/93/779907893.db2.gz MJJMXYHFOWZZBK-NSHDSACASA-N 2 0 268.336 -1.340 20 0 CAADRP [NH3+]CCSC[C@H]([NH3+])C(=O)N1CC(N2CC(F)C2)C1 ZINC001157527354 779907994 /nfs/dbraw/zinc/90/79/94/779907994.db2.gz MVZPEAIYQQHSGA-JTQLQIEISA-N 2 0 276.381 -1.130 20 0 CAADRP [NH3+][C@H]1CN(C(=O)[C@H]2COC3(C[NH2+]C3)CN2)C[C@H]1F ZINC001157535923 779908073 /nfs/dbraw/zinc/90/80/73/779908073.db2.gz FHVXQIFYVOQRTJ-HRDYMLBCSA-N 2 0 258.297 -2.176 20 0 CAADRP C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N1C[C@@H](F)[C@@H]([NH3+])C1 ZINC001157544686 779908957 /nfs/dbraw/zinc/90/89/57/779908957.db2.gz HPUAYIGIRUJXQC-YWIQKCBGSA-N 2 0 262.285 -2.682 20 0 CAADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)N1C[C@@H](F)[C@@H]([NH3+])C1 ZINC001157544957 779909039 /nfs/dbraw/zinc/90/90/39/779909039.db2.gz KBFQXIOLXUJOCD-OUAUKWLOSA-N 3 0 273.356 -1.756 20 0 CAADRP CC1([NH3+])CN(C(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)C1 ZINC001157652003 779909343 /nfs/dbraw/zinc/90/93/43/779909343.db2.gz VSEXGKNTTWVIPA-JTQLQIEISA-N 3 0 255.366 -1.704 20 0 CAADRP CC1([NH3+])CN(C(=O)[C@H]2Cn3nnnc3C23CC[NH2+]CC3)C1 ZINC001157629783 779909360 /nfs/dbraw/zinc/90/93/60/779909360.db2.gz SNCFTXHBGQKHCN-SECBINFHSA-N 2 0 291.359 -1.516 20 0 CAADRP C[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)N1CC(C)([NH3+])C1 ZINC001157643617 779909560 /nfs/dbraw/zinc/90/95/60/779909560.db2.gz DUFKCTIXMBVWTH-IUCAKERBSA-N 2 0 254.334 -1.116 20 0 CAADRP CC1([NH3+])CN(C(=O)[C@H]2CNC(=O)C23CC[NH2+]CC3)C1 ZINC001157633867 779909836 /nfs/dbraw/zinc/90/98/36/779909836.db2.gz RYMVWPOEBLEMBT-SECBINFHSA-N 2 0 266.345 -1.338 20 0 CAADRP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N1C[C@@H](F)[C@@H]([NH3+])C1 ZINC001157545287 779909860 /nfs/dbraw/zinc/90/98/60/779909860.db2.gz OCVATPIGQSZVBN-YWIQKCBGSA-N 2 0 289.311 -2.799 20 0 CAADRP CN(C[C@H]1C[NH2+]CCO1)C(=O)[C@H]([NH3+])Cc1cnc[nH]1 ZINC001157715339 779910419 /nfs/dbraw/zinc/91/04/19/779910419.db2.gz DRQUIXLMXZDJRX-GHMZBOCLSA-N 2 0 267.333 -1.274 20 0 CAADRP CN(C[C@@H]1C[NH2+]CCO1)C(=O)CNC1CC[NH2+]CC1 ZINC001157715313 779910461 /nfs/dbraw/zinc/91/04/61/779910461.db2.gz DMYJWFAXYIZNBM-LBPRGKRZSA-N 2 0 270.377 -1.225 20 0 CAADRP CN(C[C@H]1C[NH2+]CCO1)C(=O)[C@@H]([NH3+])CSCC[NH3+] ZINC001157721477 779910713 /nfs/dbraw/zinc/91/07/13/779910713.db2.gz YDMXPGNKXMWYRA-ZJUUUORDSA-N 3 0 276.406 -1.548 20 0 CAADRP C[NH+](C)C1CN(C(=O)[C@@H]2COC3(C[NH2+]C3)CN2)C1 ZINC001157681459 779910868 /nfs/dbraw/zinc/91/08/68/779910868.db2.gz JOQYESXWXFMBRG-JTQLQIEISA-N 2 0 254.334 -1.911 20 0 CAADRP CN(C[C@@H]1C[NH2+]CCO1)C(=O)[C@@H]([NH3+])CSCC[NH3+] ZINC001157721476 779911061 /nfs/dbraw/zinc/91/10/61/779911061.db2.gz YDMXPGNKXMWYRA-UWVGGRQHSA-N 3 0 276.406 -1.548 20 0 CAADRP COC(=O)[C@@]1(F)CCN(C(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)C1 ZINC001157716844 779911744 /nfs/dbraw/zinc/91/17/44/779911744.db2.gz TWCDDFFPLHMZDH-TVQRCGJNSA-N 2 0 285.319 -1.091 20 0 CAADRP CN(C[C@H]1C[NH2+]CCO1)C(=O)[C@@H]([NH3+])CC[S@@](C)=O ZINC001157721214 779911980 /nfs/dbraw/zinc/91/19/80/779911980.db2.gz VHJDEJHZDNOPTQ-AUSHCKSDSA-N 2 0 277.390 -1.471 20 0 CAADRP CN(C[C@H]1C[NH2+]CCO1)C(=O)C[C@@H]1COCC[NH2+]1 ZINC001157720160 779912029 /nfs/dbraw/zinc/91/20/29/779912029.db2.gz BKAUTQHGWAUQGF-GHMZBOCLSA-N 2 0 257.334 -1.188 20 0 CAADRP CN(C[C@@H]1C[NH2+]CCO1)C(=O)[C@]1(N)CCC[NH2+]C1 ZINC001157721255 779912186 /nfs/dbraw/zinc/91/21/86/779912186.db2.gz WEENYITXUTVIAB-JQWIXIFHSA-N 2 0 256.350 -1.486 20 0 CAADRP C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N(C)C[C@H]1C[NH2+]CCO1 ZINC001157721276 779912239 /nfs/dbraw/zinc/91/22/39/779912239.db2.gz WPFUOZJOYQNLCG-AEJSXWLSSA-N 2 0 288.348 -2.743 20 0 CAADRP CN(C[C@@H]1C[NH2+]CCO1)C(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001157721389 779912317 /nfs/dbraw/zinc/91/23/17/779912317.db2.gz XIDIBUXKHVBURG-STQMWFEESA-N 3 0 299.419 -1.816 20 0 CAADRP COC(=O)[C@]1(F)CCN(C(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)C1 ZINC001157716920 779912406 /nfs/dbraw/zinc/91/24/06/779912406.db2.gz TWCDDFFPLHMZDH-ZANVPECISA-N 2 0 285.319 -1.091 20 0 CAADRP O=C([C@@H]1C[NH2+]CC12C[NH2+]C2)N1C[C@H](F)C[C@H](CO)C1 ZINC001157729670 779912684 /nfs/dbraw/zinc/91/26/84/779912684.db2.gz GIFFMGDNUKHKLI-AXFHLTTASA-N 2 0 271.336 -1.026 20 0 CAADRP C[C@@H]1CCN(C(=O)[C@@H]2COC3(C[NH2+]C3)CN2)C[C@@H]1[NH3+] ZINC001157798647 779913371 /nfs/dbraw/zinc/91/33/71/779913371.db2.gz FJTCSZCFJMRKHE-VWYCJHECSA-N 2 0 268.361 -1.488 20 0 CAADRP C[C@@H]1CCN(C(=O)/C=C/C(=O)NCC[NH3+])C[C@@H]1[NH3+] ZINC001157800219 779913413 /nfs/dbraw/zinc/91/34/13/779913413.db2.gz ZGDFXTRSLUPHCU-NBYFHADBSA-N 2 0 254.334 -1.187 20 0 CAADRP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N1CC[C@@H](C)[C@@H]([NH3+])C1 ZINC001157810686 779913468 /nfs/dbraw/zinc/91/34/68/779913468.db2.gz PKTIDAIMLLLIBR-KATARQTJSA-N 2 0 299.375 -2.111 20 0 CAADRP C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N1CC[C@@H](C)[C@@H]([NH3+])C1 ZINC001157810715 779913510 /nfs/dbraw/zinc/91/35/10/779913510.db2.gz ROLXBTCREHMDKL-KATARQTJSA-N 2 0 272.349 -1.994 20 0 CAADRP C[C@@H]1CCN(C(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)C[C@@H]1[NH3+] ZINC001157809868 779913653 /nfs/dbraw/zinc/91/36/53/779913653.db2.gz GXNSDEVZGAFNLW-KGYLQXTDSA-N 3 0 283.420 -1.068 20 0 CAADRP C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N1CCC[C@@H](C[NH3+])[C@@H]1C ZINC001157846091 779913713 /nfs/dbraw/zinc/91/37/13/779913713.db2.gz GJGCNELHBYHSIZ-NAKRPEOUSA-N 2 0 286.376 -1.604 20 0 CAADRP C[C@@H]1CCN(C(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)C[C@@H]1[NH3+] ZINC001157809879 779913784 /nfs/dbraw/zinc/91/37/84/779913784.db2.gz GXNSDEVZGAFNLW-WXHSDQCUSA-N 3 0 283.420 -1.068 20 0 CAADRP C[C@@H]1[C@H](C[NH3+])CCCN1C(=O)[C@H]1COC2(C[NH2+]C2)CN1 ZINC001157844292 779913809 /nfs/dbraw/zinc/91/38/09/779913809.db2.gz VUERPRFPDFRZPZ-GRYCIOLGSA-N 2 0 282.388 -1.097 20 0 CAADRP CC(=O)CN(C)C(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001157862818 779914814 /nfs/dbraw/zinc/91/48/14/779914814.db2.gz LQKPKBNLXGEPSW-NSHDSACASA-N 2 0 256.350 -1.216 20 0 CAADRP [NH3+]CCC[C@H]([NH3+])C(=O)N1CC(=O)N(C2CC2)C(=O)C1 ZINC001157854087 779915204 /nfs/dbraw/zinc/91/52/04/779915204.db2.gz ZWJIIPPWMSCWMK-VIFPVBQESA-N 2 0 268.317 -1.588 20 0 CAADRP O=C(N1CC[C@@H](CO)[C@H](O)C1)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001157903342 779916471 /nfs/dbraw/zinc/91/64/71/779916471.db2.gz GACXOXVTPIIZMB-FMCLSXCISA-N 2 0 283.372 -1.613 20 0 CAADRP O=C([C@@H]1C[NH2+]CC12C[NH2+]C2)N1CC[C@@H](CO)[C@@H](O)C1 ZINC001157902504 779916539 /nfs/dbraw/zinc/91/65/39/779916539.db2.gz BVFJVUVTFSJKKN-DCAQKATOSA-N 2 0 269.345 -2.003 20 0 CAADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CC[C@H](CO)[C@H](O)C1 ZINC001157904827 779917703 /nfs/dbraw/zinc/91/77/03/779917703.db2.gz OCUYUYHDBXTNSK-OUAUKWLOSA-N 2 0 259.350 -1.356 20 0 CAADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N1CC[C@@H](CO)[C@H](O)C1 ZINC001157905164 779917858 /nfs/dbraw/zinc/91/78/58/779917858.db2.gz RMKIKBUWPXTIKS-SDDRHHMPSA-N 2 0 273.377 -1.095 20 0 CAADRP [NH3+][C@H](C(=O)N1CC[C@@H](O)[C@H](CO)C1)C1CC[NH2+]CC1 ZINC001157936102 779918665 /nfs/dbraw/zinc/91/86/65/779918665.db2.gz XOOXXGDFETTXNX-TUAOUCFPSA-N 2 0 271.361 -1.485 20 0 CAADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CC[C@H](O)[C@@H](CO)C1 ZINC001157934674 779918960 /nfs/dbraw/zinc/91/89/60/779918960.db2.gz NKPUSHYSWOWAIR-VWYCJHECSA-N 2 0 259.350 -1.356 20 0 CAADRP O=C(N1CC[C@@H](O)[C@@H](CO)C1)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001157934638 779919049 /nfs/dbraw/zinc/91/90/49/779919049.db2.gz NDIMEJZUQJZLFZ-HKUMRIAESA-N 2 0 283.372 -1.613 20 0 CAADRP O=C(N1CC[C@@H](O)[C@H](CO)C1)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001157934637 779919060 /nfs/dbraw/zinc/91/90/60/779919060.db2.gz NDIMEJZUQJZLFZ-FMCLSXCISA-N 2 0 283.372 -1.613 20 0 CAADRP C[C@]1(CO)CN(C(=O)[C@@H]([NH3+])CCC[NH3+])CC[C@@H]1O ZINC001157945240 779920194 /nfs/dbraw/zinc/92/01/94/779920194.db2.gz LASDFCGQBUJULI-JBLDHEPKSA-N 2 0 259.350 -1.356 20 0 CAADRP C[C@]1(CO)CCN(C(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)C[C@H]1O ZINC001157947193 779921430 /nfs/dbraw/zinc/92/14/30/779921430.db2.gz RKSQBVNMURSYLW-QHSBEEBCSA-N 2 0 297.399 -1.223 20 0 CAADRP C[C@@]1(CO)CCN(C(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)C[C@H]1O ZINC001157947196 779921524 /nfs/dbraw/zinc/92/15/24/779921524.db2.gz RKSQBVNMURSYLW-RJZRQDKASA-N 2 0 297.399 -1.223 20 0 CAADRP C[C@H]1CN(C(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)C[C@@H]1O ZINC001157998674 779923144 /nfs/dbraw/zinc/92/31/44/779923144.db2.gz YEJRWGLDZWUYOM-WCQGTBRESA-N 2 0 270.377 -1.424 20 0 CAADRP CCOC(=O)[C@H]1CNCCN1C(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001157998803 779923597 /nfs/dbraw/zinc/92/35/97/779923597.db2.gz HVDZJGAVQCTPKQ-WDEREUQCSA-N 2 0 286.376 -1.194 20 0 CAADRP CCOC(=O)[C@H]1CNCCN1C(=O)[C@H]([NH3+])C1CC[NH2+]CC1 ZINC001157999471 779923771 /nfs/dbraw/zinc/92/37/71/779923771.db2.gz RNVKITYZQKYHCZ-VXGBXAGGSA-N 2 0 298.387 -1.323 20 0 CAADRP CCOC(=O)[C@@H]1CNCCN1C(=O)[C@H]([NH3+])C1CC[NH2+]CC1 ZINC001157999469 779923871 /nfs/dbraw/zinc/92/38/71/779923871.db2.gz RNVKITYZQKYHCZ-NWDGAFQWSA-N 2 0 298.387 -1.323 20 0 CAADRP CCOC(=O)[C@H]1CNCCN1C(=O)[C@H]([NH3+])CCC[NH3+] ZINC001157998970 779923998 /nfs/dbraw/zinc/92/39/98/779923998.db2.gz LOWUHQQMHZDQMZ-NXEZZACHSA-N 2 0 272.349 -1.584 20 0 CAADRP CCOC(=O)[C@@H]1CNCCN1C(=O)[C@@H]([NH3+])CCC[NH3+] ZINC001157998971 779924126 /nfs/dbraw/zinc/92/41/26/779924126.db2.gz LOWUHQQMHZDQMZ-UWVGGRQHSA-N 2 0 272.349 -1.584 20 0 CAADRP [NH3+]Cc1nnnn1-c1ccc(N2CC[NH2+]CC2)nn1 ZINC001158074472 779924478 /nfs/dbraw/zinc/92/44/78/779924478.db2.gz CDBNPJHAAHEDQM-UHFFFAOYSA-N 2 0 261.293 -1.679 20 0 CAADRP COC(=O)[C@@H]1C[C@H](F)CN1C(=O)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001158015564 779924907 /nfs/dbraw/zinc/92/49/07/779924907.db2.gz SXWAHYFLTCUORO-AEJSXWLSSA-N 2 0 285.319 -1.093 20 0 CAADRP O=C(N1CCOC2(CC[NH2+]CC2)C1)[C@]12C[NH2+]C[C@@H]1CCN2 ZINC001158070452 779925189 /nfs/dbraw/zinc/92/51/89/779925189.db2.gz IERLIYLQVDXYIR-WFASDCNBSA-N 2 0 294.399 -1.081 20 0 CAADRP CC(C)(C)N(C[C@@H](O)CO)C(=O)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001158012986 779925237 /nfs/dbraw/zinc/92/52/37/779925237.db2.gz ASYCKRGIFPQYQK-GHMZBOCLSA-N 2 0 285.388 -1.224 20 0 CAADRP O=C([C@@H]1CCCC[NH2+]1)N1CC(=O)NC[C@]12CC[NH2+]C2 ZINC001158091324 779925625 /nfs/dbraw/zinc/92/56/25/779925625.db2.gz AJIXKELEMUNGLM-GXFFZTMASA-N 2 0 266.345 -1.181 20 0 CAADRP [NH3+]Cc1nnnn1-c1ncccc1C(=O)N1CC[NH2+]CC1 ZINC001158077432 779925672 /nfs/dbraw/zinc/92/56/72/779925672.db2.gz PJLWUXQMSAIXSX-UHFFFAOYSA-N 2 0 288.315 -1.439 20 0 CAADRP O=C([C@@H]1C[NH2+]CCN1)N1CCOC2(CC[NH2+]CC2)C1 ZINC001158076596 779925819 /nfs/dbraw/zinc/92/58/19/779925819.db2.gz LDMZCYSRVBRARX-NSHDSACASA-N 2 0 268.361 -1.471 20 0 CAADRP O=C(CNC1CC[NH2+]CC1)N1CC(=O)NC[C@]12CC[NH2+]C2 ZINC001158093066 779926074 /nfs/dbraw/zinc/92/60/74/779926074.db2.gz RHSSANMONJNHBC-CQSZACIVSA-N 2 0 295.387 -1.982 20 0 CAADRP O=C([C@@H]1C[NH2+]C[C@H]1O)N1CCOC2(CC[NH2+]CC2)C1 ZINC001158076842 779926198 /nfs/dbraw/zinc/92/61/98/779926198.db2.gz NBRBPHWZIBQLMX-GHMZBOCLSA-N 2 0 269.345 -1.452 20 0 CAADRP O=C(CNC1CC[NH2+]CC1)N1CC(=O)NC[C@@]12CC[NH2+]C2 ZINC001158093059 779926340 /nfs/dbraw/zinc/92/63/40/779926340.db2.gz RHSSANMONJNHBC-AWEZNQCLSA-N 2 0 295.387 -1.982 20 0 CAADRP [NH3+][C@@H]1CCC[C@H]1C(=O)N1CC(=O)NC[C@]12CC[NH2+]C2 ZINC001158093498 779926373 /nfs/dbraw/zinc/92/63/73/779926373.db2.gz VYUZIROIRQAVTN-GIPNMCIBSA-N 2 0 266.345 -1.196 20 0 CAADRP O=C([C@H]1[NH2+]CC[C@H]1O)N1CCOC2(CC[NH2+]CC2)C1 ZINC001158077239 779926380 /nfs/dbraw/zinc/92/63/80/779926380.db2.gz RVQAMBVQKAFILI-MNOVXSKESA-N 2 0 269.345 -1.310 20 0 CAADRP O=C(N1CC(=O)NC[C@@]12CC[NH2+]C2)[C@]12C[NH2+]C[C@H]1CCN2 ZINC001158091738 779926453 /nfs/dbraw/zinc/92/64/53/779926453.db2.gz HNMGKBIKKNFUQW-SWHYSGLUSA-N 2 0 293.371 -2.372 20 0 CAADRP [NH3+][C@H]1CN[C@H](C(=O)N2CCOC3(CC[NH2+]CC3)C2)C1 ZINC001158077371 779926507 /nfs/dbraw/zinc/92/65/07/779926507.db2.gz UMKKTFMDPIKAEI-MNOVXSKESA-N 2 0 268.361 -1.343 20 0 CAADRP O=C([C@H]1C[C@@H](O)C[NH2+]1)N1CC(=O)NC[C@]12CC[NH2+]C2 ZINC001158091326 779926518 /nfs/dbraw/zinc/92/65/18/779926518.db2.gz ALCIXORVNMPLTP-KBVBSXBZSA-N 2 0 268.317 -2.600 20 0 CAADRP [NH3+]CCC[C@H]([NH3+])C(=O)N1CC(=O)NC[C@@]12CC[NH2+]C2 ZINC001158091486 779926545 /nfs/dbraw/zinc/92/65/45/779926545.db2.gz DEESYPGVXBFMNN-CABZTGNLSA-N 3 0 269.349 -2.257 20 0 CAADRP O=C(C1CC[NH2+]CC1)N1CC(=O)NC[C@]12CC[NH2+]C2 ZINC001158092654 779926576 /nfs/dbraw/zinc/92/65/76/779926576.db2.gz OQDUYXQTSLMWCI-CYBMUJFWSA-N 2 0 266.345 -1.324 20 0 CAADRP C[C@]1(C(=O)N2CC(=O)NC[C@@]23CC[NH2+]C3)CCC[NH2+]1 ZINC001158101087 779926884 /nfs/dbraw/zinc/92/68/84/779926884.db2.gz GVKFCAMCJRWHCI-OLZOCXBDSA-N 2 0 266.345 -1.181 20 0 CAADRP O=C([C@@H]1CC[NH2+]C[C@H]1F)N1CC(=O)NC[C@]12CC[NH2+]C2 ZINC001158101226 779926895 /nfs/dbraw/zinc/92/68/95/779926895.db2.gz HTWWQDWDJHMVHA-GIPNMCIBSA-N 2 0 284.335 -1.376 20 0 CAADRP O=C([C@@H]1C[NH2+]C[C@@H]1O)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1 ZINC001158119339 779926935 /nfs/dbraw/zinc/92/69/35/779926935.db2.gz FYIGJIUJKBSREZ-BFVZDQMLSA-N 2 0 294.355 -2.495 20 0 CAADRP O=C([C@@H]1C[NH2+]CCN1)N1CC(=O)NC[C@@]12CC[NH2+]C2 ZINC001158100920 779927174 /nfs/dbraw/zinc/92/71/74/779927174.db2.gz CWJZMXITGUNPLY-CABZTGNLSA-N 2 0 267.333 -2.762 20 0 CAADRP O=C(C[C@@H]1COCC[NH2+]1)N1CC(=O)NC[C@]12CC[NH2+]C2 ZINC001158100701 779927033 /nfs/dbraw/zinc/92/70/33/779927033.db2.gz AUGDSQXVFRFTHR-ZWNOBZJWSA-N 2 0 282.344 -1.945 20 0 CAADRP O=C([C@@H]1CC[NH2+]C[C@@H]1F)N1CC(=O)NC[C@@]12CC[NH2+]C2 ZINC001158101227 779927078 /nfs/dbraw/zinc/92/70/78/779927078.db2.gz HTWWQDWDJHMVHA-NRUUGDAUSA-N 2 0 284.335 -1.376 20 0 CAADRP [NH3+][C@H]1CN[C@H](C(=O)N2CC(=O)NC[C@@]23CC[NH2+]C3)C1 ZINC001158100748 779927132 /nfs/dbraw/zinc/92/71/32/779927132.db2.gz BMWWLIGUSZJSRY-PTRXPTGYSA-N 2 0 267.333 -2.634 20 0 CAADRP O=C([C@H]1[C@@H]2C[NH2+]C[C@@H]21)N1CC(=O)NC[C@@]12CC[NH2+]C2 ZINC001158101587 779927226 /nfs/dbraw/zinc/92/72/26/779927226.db2.gz KEDRXSAPUVBZOJ-JQEKQURRSA-N 2 0 264.329 -1.858 20 0 CAADRP NC1(C(=O)N2CC(=O)NC[C@]23CC[NH2+]C3)CC[NH2+]CC1 ZINC001158102887 779927248 /nfs/dbraw/zinc/92/72/48/779927248.db2.gz XIQTXMIBRXAACQ-GFCCVEGCSA-N 2 0 281.360 -2.242 20 0 CAADRP O=C([C@@H]1C[NH2+]C[C@@H]1O)N1CC(=O)NC[C@@]12CC[NH2+]C2 ZINC001158102677 779927269 /nfs/dbraw/zinc/92/72/69/779927269.db2.gz VEZQLELHOFNGLN-PTRXPTGYSA-N 2 0 268.317 -2.743 20 0 CAADRP [NH3+]C[C@H](O)CC(=O)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1 ZINC001158111616 779927393 /nfs/dbraw/zinc/92/73/93/779927393.db2.gz PFMDEVAFQLKISI-RNCFNFMXSA-N 2 0 282.344 -2.366 20 0 CAADRP [NH3+]CCC[C@@H]([NH3+])C(=O)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1 ZINC001158112468 779927423 /nfs/dbraw/zinc/92/74/23/779927423.db2.gz YHSIFZSKVJZNMZ-YGRLFVJLSA-N 3 0 295.387 -2.009 20 0 CAADRP C[C@@]1(C(=O)N2CC(=O)NC[C@]23CC[NH2+]C3)CC[NH2+]C1 ZINC001158101850 779927489 /nfs/dbraw/zinc/92/74/89/779927489.db2.gz NERNKAVDVYJSJR-CHWSQXEVSA-N 2 0 266.345 -1.324 20 0 CAADRP O=C([C@@H]1C[NH2+]C[C@H]1O)N1CC(=O)NC[C@@]12CC[NH2+]C2 ZINC001158102676 779927494 /nfs/dbraw/zinc/92/74/94/779927494.db2.gz VEZQLELHOFNGLN-LNLATYFQSA-N 2 0 268.317 -2.743 20 0 CAADRP O=C(C[C@H]1COCC[NH2+]1)N1CC(=O)NC[C@]12CC[NH2+]C2 ZINC001158100699 779927515 /nfs/dbraw/zinc/92/75/15/779927515.db2.gz AUGDSQXVFRFTHR-GXFFZTMASA-N 2 0 282.344 -1.945 20 0 CAADRP [NH3+]CCCC[C@H]([NH3+])CC(=O)N1CC(=O)NC[C@@]12CC[NH2+]C2 ZINC001158101537 779927530 /nfs/dbraw/zinc/92/75/30/779927530.db2.gz JRHARJYONRFRBH-FZMZJTMJSA-N 3 0 297.403 -1.477 20 0 CAADRP [NH3+][C@H](C(=O)N1CC(=O)NC[C@]12CC[NH2+]C2)C1CC[NH2+]CC1 ZINC001158101210 779927555 /nfs/dbraw/zinc/92/75/55/779927555.db2.gz HIAPUTPQLANQQG-GXTWGEPZSA-N 3 0 295.387 -1.996 20 0 CAADRP [NH3+]C[C@@H](O)CC(=O)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1 ZINC001158111618 779927567 /nfs/dbraw/zinc/92/75/67/779927567.db2.gz PFMDEVAFQLKISI-TVQRCGJNSA-N 2 0 282.344 -2.366 20 0 CAADRP O=C([C@@H]1C[NH2+]C[C@H]1O)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1 ZINC001158119340 779927587 /nfs/dbraw/zinc/92/75/87/779927587.db2.gz FYIGJIUJKBSREZ-GPCCPHFNSA-N 2 0 294.355 -2.495 20 0 CAADRP C[C@]1(C(=O)N2CC(=O)NC[C@@]23CC[NH2+]C3)CC[NH2+]C1 ZINC001158101853 779927592 /nfs/dbraw/zinc/92/75/92/779927592.db2.gz NERNKAVDVYJSJR-STQMWFEESA-N 2 0 266.345 -1.324 20 0 CAADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CC(=O)NC[C@@]12CC[NH2+]C2 ZINC001158101680 779927609 /nfs/dbraw/zinc/92/76/09/779927609.db2.gz LHWIQAURCZRZQI-GWCFXTLKSA-N 3 0 283.376 -1.867 20 0 CAADRP O=C([C@H]1[NH2+]CC[C@@H]1O)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1 ZINC001158119920 779927782 /nfs/dbraw/zinc/92/77/82/779927782.db2.gz JKBUWOVBQNPFOQ-BHDSKKPTSA-N 2 0 294.355 -2.353 20 0 CAADRP N[C@@]1(C(=O)N2CC3(C[NH2+]C3)[C@]3(CCNC3=O)C2)CC[NH2+]C1 ZINC001158120240 779928357 /nfs/dbraw/zinc/92/83/57/779928357.db2.gz KXINVAFSPLGVJH-KGLIPLIRSA-N 2 0 293.371 -2.385 20 0 CAADRP C[C@@H](C[NH3+])C(=O)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1 ZINC001158121004 779928429 /nfs/dbraw/zinc/92/84/29/779928429.db2.gz QUHQTRXWRZPTET-ZANVPECISA-N 2 0 266.345 -1.481 20 0 CAADRP N[C@@H](C[NH3+])C(=O)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1 ZINC001158121445 779928436 /nfs/dbraw/zinc/92/84/36/779928436.db2.gz SXBGEFJBLONNBI-QPUJVOFHSA-N 2 0 267.333 -2.790 20 0 CAADRP O=C([C@@H]1C[NH2+]CCN1)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1 ZINC001158119932 779928490 /nfs/dbraw/zinc/92/84/90/779928490.db2.gz JONVMEJSHPOBEM-HZMBPMFUSA-N 2 0 293.371 -2.514 20 0 CAADRP N[C@@]1(C(=O)N2CC3(C[NH2+]C3)[C@@]3(CCNC3=O)C2)CC[NH2+]C1 ZINC001158120239 779928620 /nfs/dbraw/zinc/92/86/20/779928620.db2.gz KXINVAFSPLGVJH-KBPBESRZSA-N 2 0 293.371 -2.385 20 0 CAADRP O=C(N1CCO[C@@H]2C[NH2+]C[C@@H]2C1)[C@@]12C[NH2+]C[C@@H]1CCN2 ZINC001158168329 779928781 /nfs/dbraw/zinc/92/87/81/779928781.db2.gz UMLGGHUMSJXETB-GFQSEFKGSA-N 2 0 280.372 -1.615 20 0 CAADRP O=C(CNC1CC[NH2+]CC1)N1CCO[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001158168354 779928902 /nfs/dbraw/zinc/92/89/02/779928902.db2.gz VGBIRKYKOQNQEW-DGCLKSJQSA-N 2 0 282.388 -1.225 20 0 CAADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCO[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001158167910 779928935 /nfs/dbraw/zinc/92/89/35/779928935.db2.gz OQOBCTIYEYGELU-GRYCIOLGSA-N 3 0 270.377 -1.111 20 0 CAADRP O=C(N1CCO[C@@H]2C[NH2+]C[C@@H]2C1)[C@]12C[NH2+]C[C@@H]1CCN2 ZINC001158168328 779929221 /nfs/dbraw/zinc/92/92/21/779929221.db2.gz UMLGGHUMSJXETB-CZXHOFHRSA-N 2 0 280.372 -1.615 20 0 CAADRP [NH3+]CCC[C@@H]([NH3+])C(=O)N1CCO[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001158168319 779929436 /nfs/dbraw/zinc/92/94/36/779929436.db2.gz UESZMWBMPPLNKL-GMTAPVOTSA-N 3 0 256.350 -1.501 20 0 CAADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)N1CCC2(COC2)C1 ZINC001158169645 779929630 /nfs/dbraw/zinc/92/96/30/779929630.db2.gz VQHOUTOSSHQYHE-LBPRGKRZSA-N 2 0 282.388 -1.014 20 0 CAADRP O=C([C@@H]1C[NH2+]CC12C[NH2+]C2)N1CCO[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001158167555 779929686 /nfs/dbraw/zinc/92/96/86/779929686.db2.gz LPHIGJJOJNCLFY-GRYCIOLGSA-N 3 0 280.372 -1.758 20 0 CAADRP [NH3+][C@H](C(=O)N1CCO[C@@H]2C[NH2+]C[C@@H]2C1)C1CC[NH2+]CC1 ZINC001158180059 779929868 /nfs/dbraw/zinc/92/98/68/779929868.db2.gz RVGXGOGRHGSKDM-UPJWGTAASA-N 3 0 282.388 -1.240 20 0 CAADRP O=C([C@@H]1NC(=O)CC12C[NH2+]C2)N1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001158198772 779929980 /nfs/dbraw/zinc/92/99/80/779929980.db2.gz IIOLEBGKKLOYHY-NGZCFLSTSA-N 2 0 264.329 -1.573 20 0 CAADRP [NH3+]CCSC[C@H]([NH3+])C(=O)N1CCO[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001158179310 779930015 /nfs/dbraw/zinc/93/00/15/779930015.db2.gz JWFDZAOLYTYUER-OUAUKWLOSA-N 3 0 288.417 -1.548 20 0 CAADRP O=C(C1=NO[C@@H]2C[NH2+]C[C@H]12)N1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001158198571 779930047 /nfs/dbraw/zinc/93/00/47/779930047.db2.gz HYJLMGHEWLNLKM-AXTSPUMRSA-N 2 0 250.302 -1.077 20 0 CAADRP N[C@H]1C[NH2+]C[C@@H]1C(=O)N1CCO[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001158180042 779930067 /nfs/dbraw/zinc/93/00/67/779930067.db2.gz REVDPKQFRZVINU-VPOLOUISSA-N 2 0 254.334 -2.020 20 0 CAADRP O=C([C@H]1NC(=O)CC12C[NH2+]C2)N1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001158198771 779930090 /nfs/dbraw/zinc/93/00/90/779930090.db2.gz IIOLEBGKKLOYHY-IQJOONFLSA-N 2 0 264.329 -1.573 20 0 CAADRP C[S@@](=O)CC[C@H]([NH3+])C(=O)N1CCO[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001158179112 779930280 /nfs/dbraw/zinc/93/02/80/779930280.db2.gz IHOGPHFXJMKPSX-AXTQLICZSA-N 2 0 289.401 -1.471 20 0 CAADRP [NH3+]CC12CC(C1)CN2C(=O)[C@H]1COC2(C[NH2+]C2)CN1 ZINC001158187449 779930305 /nfs/dbraw/zinc/93/03/05/779930305.db2.gz QFWMXULABBVJAD-SQLBVSGCSA-N 2 0 266.345 -1.734 20 0 CAADRP O=C([C@H]1[NH2+]CC[C@@H]1O)N1CCO[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001158179782 779930332 /nfs/dbraw/zinc/93/03/32/779930332.db2.gz OSMVAPUAZCGQBJ-YTWAJWBKSA-N 2 0 255.318 -1.844 20 0 CAADRP O=C([C@H]1[NH2+]CC[C@H]1O)N1CCO[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001158179781 779930347 /nfs/dbraw/zinc/93/03/47/779930347.db2.gz OSMVAPUAZCGQBJ-DBIOUOCHSA-N 2 0 255.318 -1.844 20 0 CAADRP NC(=O)C[NH2+]CCCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001158197095 779930384 /nfs/dbraw/zinc/93/03/84/779930384.db2.gz SADPDXCPXUPTQZ-LLVKDONJSA-N 2 0 268.361 -1.091 20 0 CAADRP O=C(N1CC[C@@H]2[NH2+]CC[C@H]21)[C@]12C[NH2+]C[C@@H]1CCN2 ZINC001158198241 779930568 /nfs/dbraw/zinc/93/05/68/779930568.db2.gz COCPDZNOHRFUCK-KQXIARHKSA-N 2 0 250.346 -1.099 20 0 CAADRP O=C([C@H]1C[NH2+]C[C@@H]1O)N1CCO[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001158178711 779930620 /nfs/dbraw/zinc/93/06/20/779930620.db2.gz ATVRJWWTIALSIH-VPOLOUISSA-N 2 0 255.318 -1.987 20 0 CAADRP [NH3+][C@@H](C(=O)N1CCO[C@@H]2C[NH2+]C[C@@H]2C1)C1CC[NH2+]CC1 ZINC001158180058 779930747 /nfs/dbraw/zinc/93/07/47/779930747.db2.gz RVGXGOGRHGSKDM-JHJVBQTASA-N 3 0 282.388 -1.240 20 0 CAADRP [NH3+]CC12CC(C1)CN2C(=O)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001158187593 779930754 /nfs/dbraw/zinc/93/07/54/779930754.db2.gz XZNYJXRJEUHMKB-RUETXSTFSA-N 3 0 250.346 -1.255 20 0 CAADRP COC(=O)[C@@]12COC[C@@H]1CN(C(=O)[C@@H]([NH3+])CCC[NH3+])C2 ZINC001158235891 779931191 /nfs/dbraw/zinc/93/11/91/779931191.db2.gz TYSUYRPSAUUKSW-KWBADKCTSA-N 2 0 285.344 -1.299 20 0 CAADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)N1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001158215163 779931498 /nfs/dbraw/zinc/93/14/98/779931498.db2.gz JVCTXTWHYIJKRS-FRRDWIJNSA-N 3 0 281.404 -1.300 20 0 CAADRP [NH3+]CCSC[C@H]([NH3+])C(=O)N1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001158215192 779931574 /nfs/dbraw/zinc/93/15/74/779931574.db2.gz KXKUMANPJUGVMV-LPEHRKFASA-N 3 0 258.391 -1.032 20 0 CAADRP O=C([C@@H]1C[NH2+]CC12C[NH2+]C2)N1C[C@@H]2CC[NH2+][C@@H]2C1 ZINC001158306399 779932210 /nfs/dbraw/zinc/93/22/10/779932210.db2.gz RYMVNMIELRQARR-GARJFASQSA-N 3 0 250.346 -1.384 20 0 CAADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC2(CC1)COCC(=O)N2 ZINC001158326763 779932460 /nfs/dbraw/zinc/93/24/60/779932460.db2.gz MLZFSRJGPJUXSZ-NSHDSACASA-N 2 0 298.387 -1.050 20 0 CAADRP [NH3+][C@H]1CN[C@H](C(=O)N2CCC3(CC2)COCC(=O)N3)C1 ZINC001158327128 779932517 /nfs/dbraw/zinc/93/25/17/779932517.db2.gz RWYHUEFQXIRDQO-ZJUUUORDSA-N 2 0 282.344 -1.817 20 0 CAADRP C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N1C[C@@H]2CC[NH2+][C@@H]2C1 ZINC001158306951 779932549 /nfs/dbraw/zinc/93/25/49/779932549.db2.gz YKRDCYVTKJBQOL-AATLWQCWSA-N 2 0 270.333 -2.369 20 0 CAADRP [NH3+]CCSC[C@H]([NH3+])C(=O)N1C[C@@H]2CC[NH2+][C@@H]2C1 ZINC001158305996 779932576 /nfs/dbraw/zinc/93/25/76/779932576.db2.gz NCBNHACJMSYWIV-LPEHRKFASA-N 3 0 258.391 -1.174 20 0 CAADRP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N1C[C@@H]2CC[NH2+][C@@H]2C1 ZINC001158306940 779932681 /nfs/dbraw/zinc/93/26/81/779932681.db2.gz YAVDNXPNVMZWAE-AATLWQCWSA-N 2 0 297.359 -2.486 20 0 CAADRP C[S@@](=O)CC[C@H]([NH3+])C(=O)N1C[C@@H]2CC[NH2+][C@@H]2C1 ZINC001158306378 779932872 /nfs/dbraw/zinc/93/28/72/779932872.db2.gz RMUGGGHTLUEOOJ-UKFADQEDSA-N 2 0 259.375 -1.097 20 0 CAADRP O=C([C@@H]1C[NH2+]CC12C[NH2+]C2)N1CCC[C@@H]2[NH2+]C[C@@H]21 ZINC001158422408 779934298 /nfs/dbraw/zinc/93/42/98/779934298.db2.gz KUFGJIXGBZIGLF-DCAQKATOSA-N 3 0 250.346 -1.242 20 0 CAADRP O=C(N1CCC[C@@H]2[NH2+]C[C@@H]21)[C@]12C[NH2+]C[C@@H]1CCN2 ZINC001158421439 779934395 /nfs/dbraw/zinc/93/43/95/779934395.db2.gz DSUNNIFIVVRGKB-ZPFDUUQYSA-N 2 0 250.346 -1.099 20 0 CAADRP CS(=O)(=O)N(CC[NH3+])CC(=O)N1CCC[C@H]2[NH2+]C[C@H]21 ZINC001158423453 779934468 /nfs/dbraw/zinc/93/44/68/779934468.db2.gz OQUAIMSEDCSFIH-NXEZZACHSA-N 2 0 290.389 -1.831 20 0 CAADRP O=C([C@@H]1C[C@H]2C[NH2+]C[C@H]2N1)N1CCC[C@@H]2[NH2+]C[C@@H]21 ZINC001158421690 779934879 /nfs/dbraw/zinc/93/48/79/779934879.db2.gz FHXIOHLZOOAAGK-NGDQXYMTSA-N 2 0 250.346 -1.101 20 0 CAADRP O=C([C@@H]1C[NH2+]CC12C[NH2+]C2)N1CCC[C@H]2[NH2+]C[C@@H]21 ZINC001158422407 779935046 /nfs/dbraw/zinc/93/50/46/779935046.db2.gz KUFGJIXGBZIGLF-AXFHLTTASA-N 3 0 250.346 -1.242 20 0 CAADRP O=C([C@@H]1C[NH2+]CC12C[NH2+]C2)N1CCC[C@H]2[NH2+]C[C@H]21 ZINC001158422410 779935063 /nfs/dbraw/zinc/93/50/63/779935063.db2.gz KUFGJIXGBZIGLF-HBNTYKKESA-N 3 0 250.346 -1.242 20 0 CAADRP CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)CNCC[NH3+] ZINC001158498424 779936930 /nfs/dbraw/zinc/93/69/30/779936930.db2.gz POJGZYMWBBNTSO-GARJFASQSA-N 2 0 284.360 -1.713 20 0 CAADRP O=C([C@H]1C[C@@H](O)C[NH2+]1)N1CC[C@@]23C[NH2+]C[C@@H](C[C@@H]2C1)O3 ZINC001158535105 779936488 /nfs/dbraw/zinc/93/64/88/779936488.db2.gz VOOGJCNSZLOIHV-CBLPJQPBSA-N 2 0 281.356 -1.311 20 0 CAADRP NC(=O)C[NH2+]CCCNC(=O)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001158487006 779936507 /nfs/dbraw/zinc/93/65/07/779936507.db2.gz UYGNSHLCBTXQBE-GHMZBOCLSA-N 2 0 284.360 -1.569 20 0 CAADRP [NH3+]C[C@@H](O)CC(=O)N1CC[C@@]23C[NH2+]C[C@@H](C[C@@H]2C1)O3 ZINC001158535149 779936599 /nfs/dbraw/zinc/93/65/99/779936599.db2.gz WAVGSUPYNXLATC-LSCVPOLPSA-N 2 0 269.345 -1.325 20 0 CAADRP CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)[C@H]1C[NH2+]CCN1 ZINC001158497962 779936653 /nfs/dbraw/zinc/93/66/53/779936653.db2.gz KOWOSZUGVPZYSE-WHOHXGKFSA-N 2 0 296.371 -1.700 20 0 CAADRP CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)C[C@@H](O)C[NH3+] ZINC001158496698 779936673 /nfs/dbraw/zinc/93/66/73/779936673.db2.gz YPCDOODYAMSLKV-ZRUFSTJUSA-N 2 0 285.344 -1.552 20 0 CAADRP CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)[C@@H]1C[C@H]([NH3+])CN1 ZINC001158498550 779936675 /nfs/dbraw/zinc/93/66/75/779936675.db2.gz PXXIFRPDSKFYHA-UHFZAUJKSA-N 3 0 296.371 -1.572 20 0 CAADRP O=C([C@@H]1C[C@H](O)C[NH2+]1)N1CC[C@@]23C[NH2+]C[C@@H](C[C@@H]2C1)O3 ZINC001158535106 779936750 /nfs/dbraw/zinc/93/67/50/779936750.db2.gz VOOGJCNSZLOIHV-GHMOJZLGSA-N 2 0 281.356 -1.311 20 0 CAADRP N[C@@H](C[NH3+])C(=O)N1CC[C@@]23C[NH2+]C[C@@H](C[C@@H]2C1)O3 ZINC001158532400 779936760 /nfs/dbraw/zinc/93/67/60/779936760.db2.gz BJXYKLTXNICRDX-MWGHHZFTSA-N 2 0 254.334 -1.748 20 0 CAADRP [NH3+]CCC[NH2+]CC(=O)N1CC[C@@]23C[NH2+]C[C@@H](C[C@@H]2C1)O3 ZINC001158546252 779936871 /nfs/dbraw/zinc/93/68/71/779936871.db2.gz IPPYYUSVOLMOLS-YRGRVCCFSA-N 3 0 282.388 -1.096 20 0 CAADRP CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)[C@@H]([NH3+])CCC[NH3+] ZINC001158496552 779936941 /nfs/dbraw/zinc/93/69/41/779936941.db2.gz SBTLJOHAOYVMFH-FIQHERPVSA-N 3 0 298.387 -1.195 20 0 CAADRP N[C@@H](CC[NH3+])C(=O)N1CC[C@@]23C[NH2+]C[C@@H](C[C@@H]2C1)O3 ZINC001158533231 779936961 /nfs/dbraw/zinc/93/69/61/779936961.db2.gz IVJUWJKPVDOSBZ-HNCHTBHHSA-N 2 0 268.361 -1.358 20 0 CAADRP CNC(=O)C[NH2+]CCCNC(=O)[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001158485944 779937017 /nfs/dbraw/zinc/93/70/17/779937017.db2.gz BYPDSNIFEDXWER-NWDGAFQWSA-N 2 0 298.387 -1.309 20 0 CAADRP CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)[C@@]1(N)CC[NH2+]C1 ZINC001158498448 779937054 /nfs/dbraw/zinc/93/70/54/779937054.db2.gz PRFDFDDRLLZSNU-KZWBYHQPSA-N 2 0 296.371 -1.571 20 0 CAADRP O=C([C@H]1C[NH2+]CCN1)N1CC[C@@]23C[NH2+]C[C@@H](C[C@H]2C1)O3 ZINC001158547421 779937100 /nfs/dbraw/zinc/93/71/00/779937100.db2.gz OPWASNSXYQAADB-FMCLSXCISA-N 2 0 280.372 -1.473 20 0 CAADRP C[C@@H]1C[N@H+](C)[C@@H](C)CN1C(=O)[C@@H]1COC2(C[NH2+]C2)CN1 ZINC001158626420 779938079 /nfs/dbraw/zinc/93/80/79/779938079.db2.gz OBHMOXTWRHSAQE-TUAOUCFPSA-N 2 0 282.388 -1.132 20 0 CAADRP CN(C[C@H](O)CO)C(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001158798832 779938925 /nfs/dbraw/zinc/93/89/25/779938925.db2.gz JLUAUCXMFVELHH-JFGNBEQYSA-N 2 0 257.334 -2.003 20 0 CAADRP CN(C[C@H](O)CO)C(=O)[C@@H]([NH3+])CSCC[NH3+] ZINC001158800902 779940007 /nfs/dbraw/zinc/94/00/07/779940007.db2.gz YOJWQQQNOAKZNT-YUMQZZPRSA-N 2 0 251.352 -2.183 20 0 CAADRP CN(C[C@H](O)CO)C(=O)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001158799869 779940575 /nfs/dbraw/zinc/94/05/75/779940575.db2.gz PXOQTLJDLGYOJZ-WDEREUQCSA-N 2 0 271.361 -1.328 20 0 CAADRP CN1CCO[C@H]2CN(C(=O)[C@H]([NH3+])C3CC[NH2+]CC3)C[C@H]21 ZINC001158803550 779940615 /nfs/dbraw/zinc/94/06/15/779940615.db2.gz HJVYNMFAEOSKDC-FRRDWIJNSA-N 2 0 282.388 -1.145 20 0 CAADRP CN(C[C@@H](O)CO)C(=O)[C@@H]([NH3+])CSCC[NH3+] ZINC001158800901 779940657 /nfs/dbraw/zinc/94/06/57/779940657.db2.gz YOJWQQQNOAKZNT-SFYZADRCSA-N 2 0 251.352 -2.183 20 0 CAADRP C[NH+](C)C[C@H]1Cn2ccnc2CN(C(=O)CNCC[NH3+])C1 ZINC001159134803 779943297 /nfs/dbraw/zinc/94/32/97/779943297.db2.gz PSHSDSUFGPLOST-LBPRGKRZSA-N 2 0 294.403 -1.049 20 0 CAADRP OC[C@H]1C[NH2+]C[C@@H]1Nc1ccc(N2CC[NH2+]CC2)nn1 ZINC001159673644 779949726 /nfs/dbraw/zinc/94/97/26/779949726.db2.gz YTJFRXCTAOQTKH-MNOVXSKESA-N 2 0 278.360 -1.122 20 0 CAADRP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2C(=O)CNCC[NH3+] ZINC001159929682 779952302 /nfs/dbraw/zinc/95/23/02/779952302.db2.gz ISMFGJDESDCOEJ-QWHCGFSZSA-N 2 0 283.420 -1.229 20 0 CAADRP CN1C[C@@H]2CN(C(=O)[C@@H]([NH3+])CCC[NH3+])C[C@@H]2C1=O ZINC001159884642 779952627 /nfs/dbraw/zinc/95/26/27/779952627.db2.gz DUWWTURWNUNGHD-UTLUCORTSA-N 2 0 254.334 -1.401 20 0 CAADRP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2C(=O)[C@@H]1C[NH2+]C[C@@H]1O ZINC001159930800 779952642 /nfs/dbraw/zinc/95/26/42/779952642.db2.gz XRKACXXDYSGSNY-RQJABVFESA-N 2 0 296.415 -1.197 20 0 CAADRP C[NH+](C)C1(C(=O)NCCC[NH2+]CC(=O)NC(N)=O)CCC1 ZINC001159854921 779952896 /nfs/dbraw/zinc/95/28/96/779952896.db2.gz XAJUDDUWLUNBGR-UHFFFAOYSA-N 2 0 299.375 -1.239 20 0 CAADRP CN1C[C@@H]2CN(C(=O)[C@H]3C[NH2+]CC34C[NH2+]C4)C[C@@H]2C1=O ZINC001159886244 779953100 /nfs/dbraw/zinc/95/31/00/779953100.db2.gz LGTUPFRPTUMIDE-OUAUKWLOSA-N 2 0 278.356 -1.658 20 0 CAADRP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2C(=O)[C@@H]1C[NH2+]CCN1 ZINC001159929518 779953242 /nfs/dbraw/zinc/95/32/42/779953242.db2.gz GEQZGACRQMDHRK-MELADBBJSA-N 2 0 295.431 -1.215 20 0 CAADRP C[NH+](C)[C@@H](C(=O)NCCC[NH2+]CC(N)=O)C1CC1 ZINC001159916785 779953322 /nfs/dbraw/zinc/95/33/22/779953322.db2.gz SMYLQTOBNKHYNP-LLVKDONJSA-N 2 0 256.350 -1.092 20 0 CAADRP CN1C[C@@H]2CN(C(=O)[C@]34C[NH2+]C[C@H]3C[NH2+]CC4)C[C@@H]2C1=O ZINC001159887249 779953362 /nfs/dbraw/zinc/95/33/62/779953362.db2.gz UHJSMLWFRQUTAV-MCYUEQNJSA-N 2 0 292.383 -1.268 20 0 CAADRP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2C(=O)C[C@@H](O)C[NH3+] ZINC001159930817 779953432 /nfs/dbraw/zinc/95/34/32/779953432.db2.gz XYARYMHQLVCCLJ-FRRDWIJNSA-N 2 0 284.404 -1.067 20 0 CAADRP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2C(=O)[C@H]1C[NH2+]C[C@H]1O ZINC001159930798 779953521 /nfs/dbraw/zinc/95/35/21/779953521.db2.gz XRKACXXDYSGSNY-IGQOVBAYSA-N 2 0 296.415 -1.197 20 0 CAADRP O=C([C@@H]1C[NH2+]C[C@@H]1O)N1C[C@@H]2C[N@@H+](CC3CC3)C[C@H](C1)O2 ZINC001160156473 779955941 /nfs/dbraw/zinc/95/59/41/779955941.db2.gz QBSRNNFHMFTARA-RQJABVFESA-N 2 0 295.383 -1.112 20 0 CAADRP O=C([C@H]1C[NH2+]C[C@H]1O)N1C[C@@H]2C[N@@H+](CC3CC3)C[C@H](C1)O2 ZINC001160156470 779956265 /nfs/dbraw/zinc/95/62/65/779956265.db2.gz QBSRNNFHMFTARA-RFQIPJPRSA-N 2 0 295.383 -1.112 20 0 CAADRP N[C@]1(C(=O)N2C[C@@H]3C[N@@H+](CC4CC4)C[C@H](C2)O3)CC[NH2+]C1 ZINC001160155213 779956399 /nfs/dbraw/zinc/95/63/99/779956399.db2.gz GPPMEDMUXFFJNF-VNHYZAJKSA-N 2 0 294.399 -1.001 20 0 CAADRP NC(=O)N1CCN(C(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)CC1 ZINC001160456121 779960744 /nfs/dbraw/zinc/96/07/44/779960744.db2.gz CELLJSKLVQIIEZ-SECBINFHSA-N 2 0 267.333 -1.982 20 0 CAADRP C[NH2+]CC1CCN(C(=O)[C@H]2COC3(C[NH2+]C3)CN2)CC1 ZINC001160456304 779961403 /nfs/dbraw/zinc/96/14/03/779961403.db2.gz GQBKLFLDXRYWCB-GFCCVEGCSA-N 2 0 282.388 -1.225 20 0 CAADRP C[C@H]1C(=O)NCCN1C(=O)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001160451394 779961463 /nfs/dbraw/zinc/96/14/63/779961463.db2.gz NQOXWPRFVXMUCS-DTWKUNHWSA-N 2 0 252.318 -1.858 20 0 CAADRP NC(=O)N1CCN(C(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)CC1 ZINC001160456731 779961479 /nfs/dbraw/zinc/96/14/79/779961479.db2.gz PYDUSLOIYKKGPE-NSHDSACASA-N 2 0 298.391 -2.040 20 0 CAADRP N[C@H]1C[NH2+]C[C@@H]1C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC001160491054 779962204 /nfs/dbraw/zinc/96/22/04/779962204.db2.gz RALRVSQWHNFBBX-STQMWFEESA-N 2 0 282.388 -1.144 20 0 CAADRP CCN(CCC(N)=O)C(=O)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001160471280 779962294 /nfs/dbraw/zinc/96/22/94/779962294.db2.gz UEJAXHDFZVHHKU-SECBINFHSA-N 2 0 254.334 -1.481 20 0 CAADRP CC1(C)C(=O)NCCN1C(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001160477671 779962469 /nfs/dbraw/zinc/96/24/69/779962469.db2.gz BBWUFEAGFSVSAH-VIFPVBQESA-N 2 0 266.345 -1.468 20 0 CAADRP O=C([C@@H]1C[NH2+]CCN1)N1CC[NH+](C2CCOCC2)CC1 ZINC001160490744 779962611 /nfs/dbraw/zinc/96/26/11/779962611.db2.gz GLNCYDZPIJQQDV-ZDUSSCGKSA-N 2 0 282.388 -1.129 20 0 CAADRP CC1(C)C(=O)NCCN1C(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001160477697 779962648 /nfs/dbraw/zinc/96/26/48/779962648.db2.gz CABQTLOIRRKLHU-QMTHXVAHSA-N 2 0 280.372 -1.078 20 0 CAADRP [NH3+]CCSC[C@H]([NH3+])C(=O)N1CCC2(C1)OCCO2 ZINC001160470910 779962996 /nfs/dbraw/zinc/96/29/96/779962996.db2.gz KMQJJUJLMBPWEA-VIFPVBQESA-N 2 0 275.374 -1.019 20 0 CAADRP CC1(C)C(=O)NCCN1C(=O)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001160477670 779963053 /nfs/dbraw/zinc/96/30/53/779963053.db2.gz BBWUFEAGFSVSAH-SECBINFHSA-N 2 0 266.345 -1.468 20 0 CAADRP C[C@H]([NH3+])C(=O)N[C@H](CCC(=O)N1CCC([NH3+])CC1)C(N)=O ZINC001160515472 779964215 /nfs/dbraw/zinc/96/42/15/779964215.db2.gz IWPOGKDMQUBUJP-WCBMZHEXSA-N 2 0 299.375 -1.966 20 0 CAADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)N1CCC([NH3+])CC1 ZINC001160515486 779964317 /nfs/dbraw/zinc/96/43/17/779964317.db2.gz JPNIKTJVVJYRMT-LBPRGKRZSA-N 3 0 269.393 -1.314 20 0 CAADRP CN(C)C(=O)CN(C)C(=O)[C@H]([NH3+])C1CC[NH2+]CC1 ZINC001160503692 779964337 /nfs/dbraw/zinc/96/43/37/779964337.db2.gz BZUXNXFYZMYEHI-LLVKDONJSA-N 2 0 256.350 -1.140 20 0 CAADRP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC([NH3+])CC1 ZINC001160515848 779964419 /nfs/dbraw/zinc/96/44/19/779964419.db2.gz XRRLKYKZKLLFRU-CBAPKCEASA-N 2 0 285.348 -2.357 20 0 CAADRP COC(=O)CN1CCN(C(=O)[C@@H]([NH3+])CCCC[NH3+])CC1 ZINC001160531490 779964745 /nfs/dbraw/zinc/96/47/45/779964745.db2.gz QRSIMFSVGVBKGN-NSHDSACASA-N 2 0 286.376 -1.240 20 0 CAADRP CN(C(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1)C1COC1 ZINC001160542480 779965146 /nfs/dbraw/zinc/96/51/46/779965146.db2.gz YFAFYGOMSRCDLF-NSHDSACASA-N 2 0 256.350 -1.406 20 0 CAADRP N=c1nc([C@H]2CCC[NH2+]2)ccn1C(=O)CNCC[NH3+] ZINC001160541771 779965662 /nfs/dbraw/zinc/96/56/62/779965662.db2.gz HOAVRYACNWWNTJ-SECBINFHSA-N 2 0 264.333 -1.024 20 0 CAADRP COC(=O)CN1CCN(C(=O)[C@@H]([NH3+])C2CC[NH2+]CC2)CC1 ZINC001160530976 779965715 /nfs/dbraw/zinc/96/57/15/779965715.db2.gz CUJFXGRAICSIBO-ZDUSSCGKSA-N 2 0 298.387 -1.370 20 0 CAADRP N=c1nc([C@H]2CCC[NH2+]2)ccn1C(=O)[C@@H]1C[NH2+]CCN1 ZINC001160542577 779965741 /nfs/dbraw/zinc/96/57/41/779965741.db2.gz ZRHLZVZLCJGIPM-KOLCDFICSA-N 2 0 276.344 -1.011 20 0 CAADRP NC(=O)[C@@H]1CCN(C(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)C1 ZINC001160549056 779967045 /nfs/dbraw/zinc/96/70/45/779967045.db2.gz NABDOGRSQCNIBR-BDAKNGLRSA-N 2 0 252.318 -1.871 20 0 CAADRP COC(=O)C[C@H]1CN(C(=O)[C@H]([NH3+])CCC[NH3+])CCO1 ZINC001160596202 779967983 /nfs/dbraw/zinc/96/79/83/779967983.db2.gz LTHGDHGQKJFEGI-VHSXEESVSA-N 2 0 273.333 -1.157 20 0 CAADRP CCOC(=O)[C@H]1CN(C(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)CCO1 ZINC001160596130 779968657 /nfs/dbraw/zinc/96/86/57/779968657.db2.gz CPKSVUBXORQPPN-GHMZBOCLSA-N 2 0 297.355 -1.414 20 0 CAADRP O=C([C@H]1C[NH2+]CC12C[NH2+]C2)N1CC(N2CCNC(=O)C2)C1 ZINC001160637003 779970599 /nfs/dbraw/zinc/97/05/99/779970599.db2.gz MOKJFDOHEIVDIJ-LLVKDONJSA-N 2 0 293.371 -2.562 20 0 CAADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CC(N2CCNC(=O)C2)C1 ZINC001160636506 779970780 /nfs/dbraw/zinc/97/07/80/779970780.db2.gz IZJWFHQHGQDMGH-NSHDSACASA-N 2 0 283.376 -1.915 20 0 CAADRP [NH3+]CCC[C@@H]([NH3+])C(=O)N1CCN(C2CCOCC2)C(=O)C1 ZINC001160637227 779970848 /nfs/dbraw/zinc/97/08/48/779970848.db2.gz SGJXBPWTRJBWRC-GFCCVEGCSA-N 2 0 298.387 -1.098 20 0 CAADRP [NH3+][C@H](C(=O)N1CC(N2CCNC(=O)C2)C1)C1CC[NH2+]CC1 ZINC001160637437 779970957 /nfs/dbraw/zinc/97/09/57/779970957.db2.gz PVNKHSYKCUDARQ-ZDUSSCGKSA-N 2 0 295.387 -2.044 20 0 CAADRP [NH3+]CCC[C@H]([NH3+])C(=O)N1CC(N2CCNC(=O)C2)C1 ZINC001160636530 779971020 /nfs/dbraw/zinc/97/10/20/779971020.db2.gz JEUNCTLKYHCIEZ-JTQLQIEISA-N 2 0 269.349 -2.305 20 0 CAADRP [NH3+]CCC[C@H]([NH3+])C(=O)N1CCN2C(=O)OC[C@H]2C1 ZINC001160641164 779972023 /nfs/dbraw/zinc/97/20/23/779972023.db2.gz WSINQXLYRMBSKL-BDAKNGLRSA-N 2 0 256.306 -1.284 20 0 CAADRP [NH3+][C@H](C(=O)N1CCN2C(=O)OC[C@H]2C1)C1CC[NH2+]CC1 ZINC001160640629 779972038 /nfs/dbraw/zinc/97/20/38/779972038.db2.gz KDEGWJNSYQOUGR-MNOVXSKESA-N 2 0 282.344 -1.024 20 0 CAADRP [NH3+]C[C@H]1CN(C(=O)[C@@H]2COC3(C[NH2+]C3)CN2)CCO1 ZINC001160644119 779972082 /nfs/dbraw/zinc/97/20/82/779972082.db2.gz SRWNCCMOHOVVLV-UWVGGRQHSA-N 2 0 270.333 -2.497 20 0 CAADRP Cn1cncc1C[C@H]([NH3+])C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC001160644145 779972189 /nfs/dbraw/zinc/97/21/89/779972189.db2.gz URJHGPBSEFIGKP-QWRGUYRKSA-N 2 0 267.333 -1.524 20 0 CAADRP C[NH+](C)C1(C)CN(C(=O)[C@H]2COC3(C[NH2+]C3)CN2)C1 ZINC001160644956 779972238 /nfs/dbraw/zinc/97/22/38/779972238.db2.gz KOIZUKHZGFHTTN-SNVBAGLBSA-N 2 0 268.361 -1.521 20 0 CAADRP C[NH+](C)C1(C)CN(C(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)C1 ZINC001160644527 779972281 /nfs/dbraw/zinc/97/22/81/779972281.db2.gz FSLJKJINVLENFH-GFCCVEGCSA-N 3 0 283.420 -1.101 20 0 CAADRP [NH3+]C[C@H]1CN(C(=O)CNC2CC[NH2+]CC2)CCO1 ZINC001160644079 779972302 /nfs/dbraw/zinc/97/23/02/779972302.db2.gz RRJADRYOTAPPPL-NSHDSACASA-N 2 0 256.350 -1.486 20 0 CAADRP [NH3+][C@@H](C(=O)N1CCN2C(=O)OC[C@H]2C1)C1CC[NH2+]CC1 ZINC001160640628 779972375 /nfs/dbraw/zinc/97/23/75/779972375.db2.gz KDEGWJNSYQOUGR-GHMZBOCLSA-N 2 0 282.344 -1.024 20 0 CAADRP [NH3+]C[C@H]1CN(C(=O)[C@@]23CC[C@@H](N2)[C@H]([NH3+])C3)CCO1 ZINC001160643793 779972470 /nfs/dbraw/zinc/97/24/70/779972470.db2.gz NKFZVRPZSYVGFT-XNDJQWLSSA-N 2 0 254.334 -1.606 20 0 CAADRP O=C([C@H]1C[NH2+]CC12C[NH2+]C2)N1CCN2C(=O)OC[C@H]2C1 ZINC001160641275 779972485 /nfs/dbraw/zinc/97/24/85/779972485.db2.gz ZZJDPNKZVRSZEY-NXEZZACHSA-N 2 0 280.328 -1.542 20 0 CAADRP C[NH+](C)C1(C)CN(C(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)C1 ZINC001160645600 779972522 /nfs/dbraw/zinc/97/25/22/779972522.db2.gz QGVKFZDIMBCBJO-JTQLQIEISA-N 3 0 252.362 -1.042 20 0 CAADRP [NH3+]CC(=O)N1CCC[C@H]1C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC001160643582 779972597 /nfs/dbraw/zinc/97/25/97/779972597.db2.gz JGZADSMJILFHMO-UWVGGRQHSA-N 2 0 270.333 -1.878 20 0 CAADRP [NH3+]CCSC[C@H]([NH3+])C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC001160643885 779972613 /nfs/dbraw/zinc/97/26/13/779972613.db2.gz PETHIFHBIPRVMO-IUCAKERBSA-N 3 0 262.379 -1.808 20 0 CAADRP CC[C@H](C)[C@H]([NH3+])C(=O)NCC(=O)N1CCO[C@@H](C[NH3+])C1 ZINC001160643596 779972689 /nfs/dbraw/zinc/97/26/89/779972689.db2.gz JOMZUDVQUNAZKW-NHCYSSNCSA-N 2 0 286.376 -1.338 20 0 CAADRP C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC001160645140 779972717 /nfs/dbraw/zinc/97/27/17/779972717.db2.gz OKKGACKOUDZKRB-CIUDSAMLSA-N 2 0 274.321 -3.003 20 0 CAADRP [NH3+]C[C@H]1CN(C(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)CCO1 ZINC001160643162 779972744 /nfs/dbraw/zinc/97/27/44/779972744.db2.gz AMCBNNQKCFGPDM-UWVGGRQHSA-N 3 0 254.334 -2.019 20 0 CAADRP [NH3+][C@@H]1CCN(C(=O)[C@@H]2CCCN([C@H]3CC[NH2+]C3)C2)C[C@H]1O ZINC001160652728 779973480 /nfs/dbraw/zinc/97/34/80/779973480.db2.gz JTDDAOLAFBUPFB-XJFOESAGSA-N 2 0 296.415 -1.019 20 0 CAADRP [NH3+][C@@H]1CCN(C(=O)[C@H]2COC3(C[NH2+]C3)CN2)C[C@@H]1F ZINC001160648933 779973513 /nfs/dbraw/zinc/97/35/13/779973513.db2.gz HXYMYTHGVFCHGR-IVZWLZJFSA-N 2 0 272.324 -1.786 20 0 CAADRP [NH3+][C@@H]1CCN(C(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)C[C@H]1O ZINC001160652853 779973546 /nfs/dbraw/zinc/97/35/46/779973546.db2.gz OJTLMPBZAGMMKL-OPRDCNLKSA-N 3 0 254.334 -2.284 20 0 CAADRP [NH3+]CC(=O)N1CCC[C@H]1C(=O)N1CC[C@@H]([NH3+])[C@@H](F)C1 ZINC001160650785 779973928 /nfs/dbraw/zinc/97/39/28/779973928.db2.gz ZPNTTXPEDHWDDA-AEJSXWLSSA-N 2 0 272.324 -1.166 20 0 CAADRP [NH3+][C@@H]1CCN(C(=O)[C@]23C[NH2+]C[C@@H]2CCN3)C[C@@H]1F ZINC001160647253 779974073 /nfs/dbraw/zinc/97/40/73/779974073.db2.gz CWLMWIUOVMZJEP-GUDRVLHUSA-N 2 0 256.325 -1.164 20 0 CAADRP C[S@@](=O)CC[C@H]([NH3+])C(=O)N1CC[C@@H]([NH3+])[C@@H](F)C1 ZINC001160650042 779974113 /nfs/dbraw/zinc/97/41/13/779974113.db2.gz QKWCDYXCRQTVAG-GZJHGJFWSA-N 2 0 265.354 -1.020 20 0 CAADRP CS(=O)(=O)N(CC[NH3+])CC(=O)N1CC[C@@H]([NH3+])[C@@H](F)C1 ZINC001160649366 779974254 /nfs/dbraw/zinc/97/42/54/779974254.db2.gz JGNSWNJJJKGOBE-DTWKUNHWSA-N 2 0 296.368 -1.896 20 0 CAADRP [NH3+][C@@H]1CCN(C(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)C[C@H]1O ZINC001160652852 779974366 /nfs/dbraw/zinc/97/43/66/779974366.db2.gz OJTLMPBZAGMMKL-IVZWLZJFSA-N 3 0 254.334 -2.284 20 0 CAADRP C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N1CC[C@@H]([NH3+])[C@@H](F)C1 ZINC001160649434 779974429 /nfs/dbraw/zinc/97/44/29/779974429.db2.gz LJKIAJNKKYLSHI-MAUMQABQSA-N 2 0 276.312 -2.292 20 0 CAADRP CS(=O)(=O)NC1CN(C(=O)[C@@H]([NH3+])CCCC[NH3+])C1 ZINC001160662240 779974913 /nfs/dbraw/zinc/97/49/13/779974913.db2.gz WGJPNFFGPUTPBG-VIFPVBQESA-N 2 0 278.378 -1.797 20 0 CAADRP C[S@@](=O)CC[C@H]([NH3+])C(=O)N1CC[C@@H]([NH3+])[C@H](O)C1 ZINC001160655122 779974920 /nfs/dbraw/zinc/97/49/20/779974920.db2.gz GVBFIRRBJSNXCN-HZHIYPOLSA-N 2 0 263.363 -1.997 20 0 CAADRP CS(=O)(=O)NC1CN(C(=O)[C@@H]([NH3+])CSCC[NH3+])C1 ZINC001160661231 779974976 /nfs/dbraw/zinc/97/49/76/779974976.db2.gz OEXRWXAFQPQFKJ-QMMMGPOBSA-N 2 0 296.418 -2.234 20 0 CAADRP [NH3+][C@@H](C(=O)N1CC[C@@H]([NH3+])[C@H](O)C1)C1CC[NH2+]CC1 ZINC001160656227 779975125 /nfs/dbraw/zinc/97/51/25/779975125.db2.gz UEKUXFJJOPJTRU-GMTAPVOTSA-N 3 0 256.350 -1.766 20 0 CAADRP [NH3+][C@H](C(=O)N1CC[C@@H]([NH3+])[C@H](O)C1)C1CCC(O)CC1 ZINC001160656388 779975178 /nfs/dbraw/zinc/97/51/78/779975178.db2.gz XFAJKPMHMUSWQU-IVVCIIHESA-N 2 0 271.361 -1.215 20 0 CAADRP CS(=O)(=O)NC1CN(C(=O)C[C@@H]([NH3+])CCCC[NH3+])C1 ZINC001160661276 779975240 /nfs/dbraw/zinc/97/52/40/779975240.db2.gz OLVJYURDVVCLIC-VIFPVBQESA-N 2 0 292.405 -1.407 20 0 CAADRP CS(=O)(=O)NC1CN(C(=O)[C@H]([NH3+])CCC[NH3+])C1 ZINC001160657029 779975278 /nfs/dbraw/zinc/97/52/78/779975278.db2.gz CECUYJKFHMNKHR-MRVPVSSYSA-N 2 0 264.351 -2.187 20 0 CAADRP [NH3+]CCCC[C@H]([NH3+])CC(=O)N1CC[C@@H]([NH3+])[C@H](O)C1 ZINC001160656389 779975325 /nfs/dbraw/zinc/97/53/25/779975325.db2.gz XIDKROSUBUZCTO-HBNTYKKESA-N 3 0 258.366 -1.247 20 0 CAADRP C[NH+](C)CCCC[C@H]([NH3+])C(=O)N1CC[C@@H]([NH3+])[C@H](O)C1 ZINC001160653201 779975336 /nfs/dbraw/zinc/97/53/36/779975336.db2.gz YJIMBYDOBOTTOJ-GRYCIOLGSA-N 3 0 272.393 -1.034 20 0 CAADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N1CC(NS(C)(=O)=O)C1 ZINC001160657318 779975448 /nfs/dbraw/zinc/97/54/48/779975448.db2.gz FARRRFZRBSMDIM-JTQLQIEISA-N 2 0 292.405 -1.537 20 0 CAADRP [NH3+][C@@H]1CCN(C(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)C[C@H]1O ZINC001160653150 779975575 /nfs/dbraw/zinc/97/55/75/779975575.db2.gz WNVMNQGYJFHRPB-PRULPYPASA-N 3 0 268.361 -1.894 20 0 CAADRP [NH3+][C@@H]1CCN(C(=O)CN2CCCC[C@H]([NH3+])C2=O)C[C@H]1O ZINC001160656633 779975706 /nfs/dbraw/zinc/97/57/06/779975706.db2.gz ZYWRLKBZRPMRJB-OUAUKWLOSA-N 2 0 284.360 -1.753 20 0 CAADRP [NH3+][C@H](C(=O)N1CC[C@@H]([NH3+])[C@H](O)C1)C1CC[NH2+]CC1 ZINC001160656230 779975739 /nfs/dbraw/zinc/97/57/39/779975739.db2.gz UEKUXFJJOPJTRU-MXWKQRLJSA-N 3 0 256.350 -1.766 20 0 CAADRP CN(C[C@H]1CCC[NH2+]C1)C(=O)[C@H]1COC2(C[NH2+]C2)CN1 ZINC001160696735 779976448 /nfs/dbraw/zinc/97/64/48/779976448.db2.gz YYVRJMRRUKIYHB-NWDGAFQWSA-N 2 0 282.388 -1.225 20 0 CAADRP NC(=O)[C@@H]1CN(C(=O)[C@@H]([NH3+])CCCC[NH3+])CCO1 ZINC001160704864 779976950 /nfs/dbraw/zinc/97/69/50/779976950.db2.gz PRINCDXBCWJTJP-IUCAKERBSA-N 2 0 258.322 -1.845 20 0 CAADRP COC(CN(C)C(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1)OC ZINC001160685898 779977169 /nfs/dbraw/zinc/97/71/69/779977169.db2.gz IXOGLTCHKYDNGO-LLVKDONJSA-N 2 0 288.392 -1.186 20 0 CAADRP CN(C[C@H]1CCC[NH2+]C1)C(=O)[C@@H]1COC2(C[NH2+]C2)CN1 ZINC001160696736 779977313 /nfs/dbraw/zinc/97/73/13/779977313.db2.gz YYVRJMRRUKIYHB-RYUDHWBXSA-N 2 0 282.388 -1.225 20 0 CAADRP CC1([NH+]2CCOCC2)CCN(C(=O)[C@@H](N)C[NH3+])CC1 ZINC001160669334 779977434 /nfs/dbraw/zinc/97/74/34/779977434.db2.gz BFEOFTUYDHVXLF-NSHDSACASA-N 2 0 270.377 -1.014 20 0 CAADRP C[N@H+]1C[C@H]2CN(C(=O)[C@]34C[NH2+]C[C@H]3CCN4)C[C@H]2C1 ZINC001160704560 779977916 /nfs/dbraw/zinc/97/79/16/779977916.db2.gz LVRKWAWRKSLCKO-CZXHOFHRSA-N 2 0 264.373 -1.042 20 0 CAADRP NC(=O)[C@@H]1CN(C(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)CCO1 ZINC001160704873 779978186 /nfs/dbraw/zinc/97/81/86/779978186.db2.gz PUTNLUUBAJWYTC-BDAKNGLRSA-N 2 0 268.317 -2.492 20 0 CAADRP NC(=O)[C@@H]1CN(C(=O)[C@H]([NH3+])C2CC[NH2+]CC2)CCO1 ZINC001160704702 779978207 /nfs/dbraw/zinc/97/82/07/779978207.db2.gz NQNSDEVPIPWLTB-VHSXEESVSA-N 2 0 270.333 -1.974 20 0 CAADRP NC(=O)[C@H]1CN(C(=O)[C@@H]([NH3+])C2CC[NH2+]CC2)CCO1 ZINC001160704704 779978331 /nfs/dbraw/zinc/97/83/31/779978331.db2.gz NQNSDEVPIPWLTB-ZJUUUORDSA-N 2 0 270.333 -1.974 20 0 CAADRP C[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CCCN3C(=O)C[NH3+])C[C@H]2C1 ZINC001160705350 779978342 /nfs/dbraw/zinc/97/83/42/779978342.db2.gz VZPXYEXNKSBMPL-TUAOUCFPSA-N 2 0 280.372 -1.044 20 0 CAADRP NC(=O)[C@@H]1CN(C(=O)[C@H]2CCC3(CC[NH2+]CC3)[NH2+]2)CCO1 ZINC001160705676 779978412 /nfs/dbraw/zinc/97/84/12/779978412.db2.gz ZNPUJECWBGNKRL-MNOVXSKESA-N 2 0 296.371 -1.427 20 0 CAADRP NC(=O)[C@H]1CN(C(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)CCO1 ZINC001160704880 779978476 /nfs/dbraw/zinc/97/84/76/779978476.db2.gz PUTNLUUBAJWYTC-RKDXNWHRSA-N 2 0 268.317 -2.492 20 0 CAADRP C[N@H+]1C[C@H]2CN(C(=O)[C@@]34C[NH2+]C[C@H]3CCN4)C[C@H]2C1 ZINC001160704564 779978682 /nfs/dbraw/zinc/97/86/82/779978682.db2.gz LVRKWAWRKSLCKO-GFQSEFKGSA-N 2 0 264.373 -1.042 20 0 CAADRP C[N@H+]1C[C@H]2CN(C(=O)[C@H]3COC4(C[NH2+]C4)CN3)C[C@H]2C1 ZINC001160705398 779978965 /nfs/dbraw/zinc/97/89/65/779978965.db2.gz XLAWWHIALAQHBB-GRYCIOLGSA-N 2 0 280.372 -1.663 20 0 CAADRP NC(=O)[C@H]1CN(C(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)CCO1 ZINC001160705159 779978982 /nfs/dbraw/zinc/97/89/82/779978982.db2.gz SSQSSPWHSYYXQQ-GIPNMCIBSA-N 2 0 282.344 -2.102 20 0 CAADRP COC(=O)[C@H](C)N(C)C(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001160718387 779979787 /nfs/dbraw/zinc/97/97/87/779979787.db2.gz HULJUXGNQBFQQL-IUCAKERBSA-N 2 0 255.318 -1.185 20 0 CAADRP O=C([C@@H]1COC2(C[NH2+]C2)CN1)N1CC[NH+]2CCC1CC2 ZINC001160725896 779980075 /nfs/dbraw/zinc/98/00/75/779980075.db2.gz GZXHRRURRDTQFF-LBPRGKRZSA-N 2 0 280.372 -1.377 20 0 CAADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N1CCN2C(=O)COC[C@@H]2C1 ZINC001160789697 779980909 /nfs/dbraw/zinc/98/09/09/779980909.db2.gz DVIWEPXWTNIAIK-RYUDHWBXSA-N 2 0 298.387 -1.227 20 0 CAADRP [NH3+]CCC[C@H]([NH3+])C(=O)N1CCN2C(=O)COC[C@H]2C1 ZINC001160789357 779980924 /nfs/dbraw/zinc/98/09/24/779980924.db2.gz BJWJMVWQSZMQJR-ZJUUUORDSA-N 2 0 270.333 -1.878 20 0 CAADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCN2C(=O)COC[C@H]2C1 ZINC001160790208 779981286 /nfs/dbraw/zinc/98/12/86/779981286.db2.gz LEFDULUQUWLBFO-MNOVXSKESA-N 2 0 284.360 -1.488 20 0 CAADRP [NH3+][C@@H](C(=O)N1CCN2C(=O)COC[C@H]2C1)C1CC[NH2+]CC1 ZINC001160789792 779981466 /nfs/dbraw/zinc/98/14/66/779981466.db2.gz FVVGODBTZMCBSO-DGCLKSJQSA-N 2 0 296.371 -1.617 20 0 CAADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N1CCN2C(=O)COC[C@H]2C1 ZINC001160789694 779981473 /nfs/dbraw/zinc/98/14/73/779981473.db2.gz DVIWEPXWTNIAIK-NEPJUHHUSA-N 2 0 298.387 -1.227 20 0 CAADRP [NH3+][C@@H](C(=O)N1CCN2C(=O)COC[C@@H]2C1)C1CC[NH2+]CC1 ZINC001160789793 779981487 /nfs/dbraw/zinc/98/14/87/779981487.db2.gz FVVGODBTZMCBSO-WCQYABFASA-N 2 0 296.371 -1.617 20 0 CAADRP [NH3+]CCC[C@H]([NH3+])C(=O)N1CCN2C(=O)COC[C@@H]2C1 ZINC001160789354 779981582 /nfs/dbraw/zinc/98/15/82/779981582.db2.gz BJWJMVWQSZMQJR-UWVGGRQHSA-N 2 0 270.333 -1.878 20 0 CAADRP [NH3+][C@@H](C(=O)N1CCn2nncc2C1)C1CC[NH2+]CC1 ZINC001160833106 779981989 /nfs/dbraw/zinc/98/19/89/779981989.db2.gz OPBKDSPNCUKSNU-LLVKDONJSA-N 2 0 264.333 -1.053 20 0 CAADRP CCOC(=O)[C@]12CN(C(=O)CNCC[NH3+])C[C@H]1C[NH2+]CC2 ZINC001160812140 779982786 /nfs/dbraw/zinc/98/27/86/779982786.db2.gz HRERWOKYRGOVDP-BXUZGUMPSA-N 2 0 298.387 -1.464 20 0 CAADRP C[NH+](C)C[C@H]1COCCN1C(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1 ZINC001160840198 779983519 /nfs/dbraw/zinc/98/35/19/779983519.db2.gz WNVSYMCDJMDJEN-ZDEQEGDKSA-N 2 0 282.388 -1.275 20 0 CAADRP C[NH+](C)C[C@@H]1COCCN1C(=O)[C@@]12C[NH2+]C[C@H]1CCN2 ZINC001160837208 779983634 /nfs/dbraw/zinc/98/36/34/779983634.db2.gz FIJKSGZWOWVPJN-YRGRVCCFSA-N 2 0 282.388 -1.273 20 0 CAADRP C[NH+](C)C[C@@H]1COCCN1C(=O)[C@H]1C[NH2+]C[C@@H]1O ZINC001160840090 779983683 /nfs/dbraw/zinc/98/36/83/779983683.db2.gz VBTAXFANBFIRDT-VWYCJHECSA-N 2 0 257.334 -1.644 20 0 CAADRP C[NH+](C)C[C@H]1COCCN1C(=O)[C@@H]1C[NH2+]CCN1 ZINC001160837569 779983726 /nfs/dbraw/zinc/98/37/26/779983726.db2.gz BPVHGSCAAPVUOK-QWRGUYRKSA-N 2 0 256.350 -1.663 20 0 CAADRP C[NH+](C)C[C@@H]1COCCN1C(=O)CN1CC[NH2+]CC1 ZINC001160840806 779983759 /nfs/dbraw/zinc/98/37/59/779983759.db2.gz ZYEJQTLGMWKQCM-GFCCVEGCSA-N 2 0 270.377 -1.319 20 0 CAADRP C[NH+](C)C[C@H]1COCCN1C(=O)[C@@H]1COC2(C[NH2+]C2)CN1 ZINC001160838141 779983911 /nfs/dbraw/zinc/98/39/11/779983911.db2.gz KZRWJIWVIRGCOL-RYUDHWBXSA-N 2 0 298.387 -1.894 20 0 CAADRP C[NH+](C)C[C@@H]1COCCN1C(=O)[C@@H]1C[NH2+]CCN1 ZINC001160837568 779983946 /nfs/dbraw/zinc/98/39/46/779983946.db2.gz BPVHGSCAAPVUOK-MNOVXSKESA-N 2 0 256.350 -1.663 20 0 CAADRP C[NH+](C)C[C@@H]1COCCN1C(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1 ZINC001160840193 779984225 /nfs/dbraw/zinc/98/42/25/779984225.db2.gz WNVSYMCDJMDJEN-QNWHQSFQSA-N 2 0 282.388 -1.275 20 0 CAADRP C[NH+](C)C[C@@H]1COCCN1C(=O)[C@H]1[NH2+]CC[C@H]1O ZINC001160839174 779984300 /nfs/dbraw/zinc/98/43/00/779984300.db2.gz OABNPFDIDUYTPZ-MXWKQRLJSA-N 2 0 257.334 -1.502 20 0 CAADRP C[NH+](C)C[C@@H]1COCCN1C(=O)[C@@H]1C[NH2+]C[C@@H]1O ZINC001160840084 779984311 /nfs/dbraw/zinc/98/43/11/779984311.db2.gz VBTAXFANBFIRDT-MXWKQRLJSA-N 2 0 257.334 -1.644 20 0 CAADRP C[NH+](C)C[C@@H]1COCCN1C(=O)[C@@H]1COC2(C[NH2+]C2)CN1 ZINC001160838134 779984322 /nfs/dbraw/zinc/98/43/22/779984322.db2.gz KZRWJIWVIRGCOL-NEPJUHHUSA-N 2 0 298.387 -1.894 20 0 CAADRP C[NH+](C)C[C@H]1COCCN1C(=O)[C@@H]1C[C@H](O)C[NH2+]1 ZINC001160839976 779984343 /nfs/dbraw/zinc/98/43/43/779984343.db2.gz SJWMLSDLWDPNLH-DCAQKATOSA-N 2 0 257.334 -1.502 20 0 CAADRP C[NH+](C)C[C@@H]1COCCN1C(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001160837749 779984360 /nfs/dbraw/zinc/98/43/60/779984360.db2.gz KKMRUHJNNQYGNI-UMVBOHGHSA-N 3 0 296.415 -1.026 20 0 CAADRP COC(=O)[C@@H]1CN(C(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)CCN1C ZINC001160871590 779985109 /nfs/dbraw/zinc/98/51/09/779985109.db2.gz XWKZZDIRONYIOZ-MNOVXSKESA-N 2 0 296.371 -1.889 20 0 CAADRP COC(=O)[C@H]1CN(C(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)CCN1C ZINC001160871588 779985690 /nfs/dbraw/zinc/98/56/90/779985690.db2.gz XWKZZDIRONYIOZ-GHMZBOCLSA-N 2 0 296.371 -1.889 20 0 CAADRP O=C([C@@H]1C[C@H](O)C[NH2+]1)N(c1ncccn1)C1C[NH2+]C1 ZINC001160915612 779986215 /nfs/dbraw/zinc/98/62/15/779986215.db2.gz GKGSFKMFKWDHGG-UWVGGRQHSA-N 2 0 263.301 -1.496 20 0 CAADRP [NH3+]C[C@H](O)CC(=O)N(c1ncccn1)C1C[NH2+]C1 ZINC001160915889 779986271 /nfs/dbraw/zinc/98/62/71/779986271.db2.gz QOKDIUJZLPMAMQ-SECBINFHSA-N 2 0 251.290 -1.509 20 0 CAADRP NC1(C(=O)N(c2ncccn2)C2C[NH2+]C2)CC[NH2+]CC1 ZINC001160915839 779986557 /nfs/dbraw/zinc/98/65/57/779986557.db2.gz OOTNFKOXKLWVQG-UHFFFAOYSA-N 2 0 276.344 -1.138 20 0 CAADRP N[C@@]1(C(=O)N(c2ncccn2)C2C[NH2+]C2)CC[NH2+]C1 ZINC001160916092 779986604 /nfs/dbraw/zinc/98/66/04/779986604.db2.gz UORGQBHPOVZWMS-LBPRGKRZSA-N 2 0 262.317 -1.528 20 0 CAADRP [NH3+]C[C@@H](O)CC(=O)N(c1ncccn1)C1C[NH2+]C1 ZINC001160915890 779986643 /nfs/dbraw/zinc/98/66/43/779986643.db2.gz QOKDIUJZLPMAMQ-VIFPVBQESA-N 2 0 251.290 -1.509 20 0 CAADRP O=C(N(c1ncccn1)C1C[NH2+]C1)[C@]12C[NH2+]C[C@@H]1CCN2 ZINC001160916105 779986732 /nfs/dbraw/zinc/98/67/32/779986732.db2.gz UYAKGBADJBXVLV-HZMBPMFUSA-N 2 0 288.355 -1.267 20 0 CAADRP N[C@H]1C[NH2+]C[C@@H]1C(=O)N(c1ncccn1)C1C[NH2+]C1 ZINC001160915714 779986773 /nfs/dbraw/zinc/98/67/73/779986773.db2.gz KFTDTKHFLKDBEJ-UWVGGRQHSA-N 2 0 262.317 -1.672 20 0 CAADRP N[C@@H](CC[NH3+])C(=O)N(c1ncccn1)C1C[NH2+]C1 ZINC001160915925 779986896 /nfs/dbraw/zinc/98/68/96/779986896.db2.gz RQXOKSZGFDDVCX-VIFPVBQESA-N 2 0 250.306 -1.543 20 0 CAADRP C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N1C[C@H]2C[C@@]2(C[NH+](C)C)C1 ZINC001160962875 779987786 /nfs/dbraw/zinc/98/77/86/779987786.db2.gz GLMZFZSUWNKQDI-BBGACYKPSA-N 2 0 298.387 -1.779 20 0 CAADRP C[C@H]1CN(C)C(=O)CN1C(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001160942824 779988263 /nfs/dbraw/zinc/98/82/63/779988263.db2.gz YELSUSODOICAMS-MISXGVKJSA-N 2 0 280.372 -1.125 20 0 CAADRP [NH3+][C@@H]1CN(C(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)CC(F)(F)C1 ZINC001160968299 779988691 /nfs/dbraw/zinc/98/86/91/779988691.db2.gz SCVPOERYMCICCE-IUCAKERBSA-N 3 0 274.315 -1.010 20 0 CAADRP O=C(N1CC(O)([C@@H]2CCCC[NH2+]2)C1)[C@]12C[NH2+]C[C@H]1CCN2 ZINC001161000472 779988701 /nfs/dbraw/zinc/98/87/01/779988701.db2.gz TUXLDSFRDYTYIX-XUJVJEKNSA-N 2 0 294.399 -1.347 20 0 CAADRP CC(=O)OC[C@H]([NH3+])C(=O)N1CC(O)([C@H]2CCCC[NH2+]2)C1 ZINC001160999527 779988796 /nfs/dbraw/zinc/98/87/96/779988796.db2.gz GTKBGUPKIXXBGB-WDEREUQCSA-N 2 0 285.344 -1.408 20 0 CAADRP O=C([C@H]1CO[C@@H]2C[NH2+]C[C@H]12)N1CC(O)([C@@H]2CCCC[NH2+]2)C1 ZINC001161000320 779988838 /nfs/dbraw/zinc/98/88/38/779988838.db2.gz RVBYZCFKMSOHTE-XQHKEYJVSA-N 2 0 295.383 -1.064 20 0 CAADRP [NH3+][C@H]1CN(C(=O)[C@@H]2COC3(C[NH2+]C3)CN2)CC(F)(F)C1 ZINC001160966762 779988864 /nfs/dbraw/zinc/98/88/64/779988864.db2.gz BIBFUBHHEFEIIJ-BDAKNGLRSA-N 2 0 290.314 -1.488 20 0 CAADRP CN1CC[NH2+]C[C@H]1C(=O)N1CC(O)([C@H]2CCCC[NH2+]2)C1 ZINC001161008445 779988984 /nfs/dbraw/zinc/98/89/84/779988984.db2.gz OMBCYINJNKZVCP-NWDGAFQWSA-N 2 0 282.388 -1.395 20 0 CAADRP O=C([C@@H]1C[NH2+]C[C@@H]1O)N1CC(O)([C@@H]2CCCC[NH2+]2)C1 ZINC001161008477 779989009 /nfs/dbraw/zinc/98/90/09/779989009.db2.gz OVCDOJANULLMDU-VWYCJHECSA-N 2 0 269.345 -1.718 20 0 CAADRP [NH3+][C@@H]1CN(C(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)CC(F)(F)C1 ZINC001160968298 779989037 /nfs/dbraw/zinc/98/90/37/779989037.db2.gz SCVPOERYMCICCE-DTWKUNHWSA-N 3 0 274.315 -1.010 20 0 CAADRP [NH3+]C[C@@H](O)CC(=O)N1CC(O)([C@@H]2CCCC[NH2+]2)C1 ZINC001161001334 779989097 /nfs/dbraw/zinc/98/90/97/779989097.db2.gz YBUOBVGATJSELR-UWVGGRQHSA-N 2 0 257.334 -1.589 20 0 CAADRP NC1(C(=O)N2CC(O)([C@@H]3CCCC[NH2+]3)C2)CC[NH2+]CC1 ZINC001160999944 779989102 /nfs/dbraw/zinc/98/91/02/779989102.db2.gz NBZNEGGRKABIEC-NSHDSACASA-N 2 0 282.388 -1.217 20 0 CAADRP C[NH+](C)C[C@@]12C[C@@H]1CN(C(=O)[C@@H]1C[NH2+]C[C@H]1O)C2 ZINC001160963444 779989186 /nfs/dbraw/zinc/98/91/86/779989186.db2.gz KIGPENHXKWGGFN-PRULPYPASA-N 2 0 253.346 -1.023 20 0 CAADRP O=C([C@@H]1C[NH2+]CCN1)N1CC(O)([C@@H]2CCCC[NH2+]2)C1 ZINC001161009708 779989199 /nfs/dbraw/zinc/98/91/99/779989199.db2.gz WZACEAOSKWWYNK-QWRGUYRKSA-N 2 0 268.361 -1.737 20 0 CAADRP O=C(N1CC(O)([C@@H]2CCCC[NH2+]2)C1)[C@@]12C[NH2+]C[C@H]1CCN2 ZINC001161000471 779989319 /nfs/dbraw/zinc/98/93/19/779989319.db2.gz TUXLDSFRDYTYIX-TYNCELHUSA-N 2 0 294.399 -1.347 20 0 CAADRP [NH3+][C@H](Cc1cnc[nH]1)C(=O)N1CC(O)([C@H]2CCCC[NH2+]2)C1 ZINC001161000327 779989328 /nfs/dbraw/zinc/98/93/28/779989328.db2.gz RWZPYMOROWQLSH-VXGBXAGGSA-N 3 0 293.371 -1.005 20 0 CAADRP [NH3+]C[C@H](O)CC(=O)N1CC(O)([C@@H]2CCCC[NH2+]2)C1 ZINC001161001339 779989411 /nfs/dbraw/zinc/98/94/11/779989411.db2.gz YBUOBVGATJSELR-ZJUUUORDSA-N 2 0 257.334 -1.589 20 0 CAADRP N[C@H]1C[NH2+]C[C@@H]1C(=O)N1CC(O)([C@@H]2CCCC[NH2+]2)C1 ZINC001161009698 779989431 /nfs/dbraw/zinc/98/94/31/779989431.db2.gz WTRJXNXYVWCAJI-DCAQKATOSA-N 2 0 268.361 -1.752 20 0 CAADRP N[C@@H](CC[NH3+])C(=O)N1CC(O)([C@H]2CCCC[NH2+]2)C1 ZINC001160999491 779989516 /nfs/dbraw/zinc/98/95/16/779989516.db2.gz FVDPYCVXAYPTIS-VHSXEESVSA-N 2 0 256.350 -1.622 20 0 CAADRP N[C@@H](CC[NH3+])C(=O)N1CC(O)([C@@H]2CCCC[NH2+]2)C1 ZINC001160999490 779989526 /nfs/dbraw/zinc/98/95/26/779989526.db2.gz FVDPYCVXAYPTIS-UWVGGRQHSA-N 2 0 256.350 -1.622 20 0 CAADRP CN1CC[NH2+]C[C@@H]1C(=O)N1CC(O)([C@@H]2CCCC[NH2+]2)C1 ZINC001161008440 779989556 /nfs/dbraw/zinc/98/95/56/779989556.db2.gz OMBCYINJNKZVCP-NEPJUHHUSA-N 2 0 282.388 -1.395 20 0 CAADRP N[C@]1(C(=O)N2CC(O)([C@H]3CCCC[NH2+]3)C2)CCC[NH2+]C1 ZINC001161009177 779989567 /nfs/dbraw/zinc/98/95/67/779989567.db2.gz TXUPUXYBVBPATO-DGCLKSJQSA-N 2 0 282.388 -1.217 20 0 CAADRP N[C@]1(C(=O)N2CC(O)([C@H]3CCCC[NH2+]3)C2)CC[NH2+]C1 ZINC001161008745 779989627 /nfs/dbraw/zinc/98/96/27/779989627.db2.gz REDNZGVEOJPLHK-ZYHUDNBSSA-N 2 0 268.361 -1.607 20 0 CAADRP NC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])C1CC[NH2+]CC1 ZINC001161035566 779990654 /nfs/dbraw/zinc/99/06/54/779990654.db2.gz XZEDVPZQLRKFPR-UWVGGRQHSA-N 2 0 254.334 -1.210 20 0 CAADRP NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001161034890 779991424 /nfs/dbraw/zinc/99/14/24/779991424.db2.gz OJMYOPFIALUNJH-IUCAKERBSA-N 2 0 252.318 -1.728 20 0 CAADRP C[C@@H]1CN(C(=O)[C@H]2NC(=O)CC23C[NH2+]C3)CC[NH2+]1 ZINC001161015421 779991439 /nfs/dbraw/zinc/99/14/39/779991439.db2.gz BIZFPHXRJBJIFI-PSASIEDQSA-N 2 0 252.318 -1.715 20 0 CAADRP NC(=O)[C@@H]1CCCN1C(=O)[C@H]([NH3+])C1CC[NH2+]CC1 ZINC001161035569 779991448 /nfs/dbraw/zinc/99/14/48/779991448.db2.gz XZEDVPZQLRKFPR-VHSXEESVSA-N 2 0 254.334 -1.210 20 0 CAADRP C[N@@H+]1CCCC[C@@H]1C(=O)NCCC[NH2+]CC(=O)NC(N)=O ZINC001161043182 779992182 /nfs/dbraw/zinc/99/21/82/779992182.db2.gz YRFLOFSEDGATFN-SNVBAGLBSA-N 2 0 299.375 -1.239 20 0 CAADRP [NH3+][C@H](C(=O)N1CCC2(CNC(=O)N2)CC1)C1CC[NH2+]CC1 ZINC001161081025 779992641 /nfs/dbraw/zinc/99/26/41/779992641.db2.gz CJQVEMLRVCUBHX-NSHDSACASA-N 2 0 295.387 -1.013 20 0 CAADRP [NH3+]CCC[C@@H]([NH3+])C(=O)N1CCC2(CNC(=O)N2)CC1 ZINC001161081405 779992952 /nfs/dbraw/zinc/99/29/52/779992952.db2.gz JHTNVADANHWPIK-SECBINFHSA-N 2 0 269.349 -1.273 20 0 CAADRP [NH3+]CCC[C@@H]([NH3+])C(=O)N1CCN(c2ncc(O)cn2)CC1 ZINC001161081564 779992977 /nfs/dbraw/zinc/99/29/77/779992977.db2.gz FSTFFBASYVKQRC-LLVKDONJSA-N 2 0 294.359 -1.103 20 0 CAADRP C[N@@H+]1CCCC[C@H]1C(=O)NCCC[NH2+]CC(=O)NC(N)=O ZINC001161043179 779993005 /nfs/dbraw/zinc/99/30/05/779993005.db2.gz YRFLOFSEDGATFN-JTQLQIEISA-N 2 0 299.375 -1.239 20 0 CAADRP C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N(C)[C@H]1CCCC[C@@H]1[NH3+] ZINC001161060443 779993146 /nfs/dbraw/zinc/99/31/46/779993146.db2.gz BEDORINEOIXZIL-NAKRPEOUSA-N 2 0 286.376 -1.461 20 0 CAADRP O=C([C@@H]1C[NH2+]CC12C[NH2+]C2)N1C[C@@H]2C[C@H]1C(=O)O2 ZINC001161085164 779994253 /nfs/dbraw/zinc/99/42/53/779994253.db2.gz OMNUNSCZBYYBJK-CIUDSAMLSA-N 2 0 251.286 -1.678 20 0 CAADRP O=C(N1C[C@@H]2C[C@H]1C(=O)O2)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001161085247 779994393 /nfs/dbraw/zinc/99/43/93/779994393.db2.gz RFNUYIMMMYGGMN-KEPMVKOISA-N 2 0 265.313 -1.288 20 0 CAADRP CCOC(=O)[C@H]1COCCN1C(=O)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001161093755 779995648 /nfs/dbraw/zinc/99/56/48/779995648.db2.gz WIKZUAPHDSZIQT-GHMZBOCLSA-N 2 0 297.355 -1.414 20 0 CAADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N1CC[C@@](N)(C(=O)OC)C1 ZINC001161138223 779996966 /nfs/dbraw/zinc/99/69/66/779996966.db2.gz PWYTXCREPLEKPG-GWCFXTLKSA-N 2 0 286.376 -1.194 20 0 CAADRP COC(=O)[C@@]1(N)CCN(C(=O)[C@H]([NH3+])CCC[NH3+])C1 ZINC001161138309 779997134 /nfs/dbraw/zinc/99/71/34/779997134.db2.gz RJXZNEMJFMFAGH-LDYMZIIASA-N 2 0 258.322 -1.845 20 0 CAADRP CCN(C(=O)[C@H]1C[NH2+]CC12C[NH2+]C2)C1CN(C)C1 ZINC001161138759 779997978 /nfs/dbraw/zinc/99/79/78/779997978.db2.gz YODKNJNPZXNGSA-LLVKDONJSA-N 2 0 252.362 -1.042 20 0 CAADRP CCOC(=O)CN(CCC[NH3+])C(=O)[C@]1(N)CC[NH2+]C1 ZINC001161158019 779998635 /nfs/dbraw/zinc/99/86/35/779998635.db2.gz NPNHOEMUDRYRBN-LBPRGKRZSA-N 2 0 272.349 -1.582 20 0 CAADRP COC(=O)[C@]1(N)CCN(C(=O)C[NH2+]CCC[NH3+])C1 ZINC001161139222 779998861 /nfs/dbraw/zinc/99/88/61/779998861.db2.gz NLOVNYHKLBMQGB-NSHDSACASA-N 2 0 258.322 -1.972 20 0 CAADRP COC(=O)[C@@]1(N)CCN(C(=O)C[C@@H]([NH3+])CCCC[NH3+])C1 ZINC001161138656 779998996 /nfs/dbraw/zinc/99/89/96/779998996.db2.gz CLGVSNJFGSPORZ-GXFFZTMASA-N 2 0 286.376 -1.064 20 0 CAADRP CCOC(=O)CN(CCC[NH3+])C(=O)[C@]12C[NH2+]C[C@@H]1CCN2 ZINC001161158550 779999999 /nfs/dbraw/zinc/99/99/99/779999999.db2.gz WSFFRSXIMHQLGT-FZMZJTMJSA-N 2 0 298.387 -1.322 20 0 CAADRP CCOC(=O)CN(CCC[NH3+])C(=O)[C@@H]1C[NH2+]C[C@H]1O ZINC001161157958 780000199 /nfs/dbraw/zinc/00/01/99/780000199.db2.gz MLZROLNCJBKCLU-NXEZZACHSA-N 2 0 273.333 -1.693 20 0 CAADRP CCOC(=O)CN(CCC[NH3+])C(=O)[C@@]12CC[C@@H](N1)[C@H]([NH3+])C2 ZINC001161158388 780000544 /nfs/dbraw/zinc/00/05/44/780000544.db2.gz UKPATMOHWPXKRG-GYSYKLTISA-N 2 0 298.387 -1.051 20 0 CAADRP CCOC(=O)CN(CCC[NH3+])C(=O)[C@H]1C[NH2+]CCN1 ZINC001161157386 780000716 /nfs/dbraw/zinc/00/07/16/780000716.db2.gz CICZXPPWWRGTAX-SNVBAGLBSA-N 2 0 272.349 -1.712 20 0 CAADRP CCOC(=O)CN(CCC[NH3+])C(=O)[C@H]1C[C@@H](O)C[NH2+]1 ZINC001161158045 780000753 /nfs/dbraw/zinc/00/07/53/780000753.db2.gz OKAUBERTOVXCTE-NXEZZACHSA-N 2 0 273.333 -1.550 20 0 CAADRP CCOC(=O)CN(CCC[NH3+])C(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC001161158179 780000871 /nfs/dbraw/zinc/00/08/71/780000871.db2.gz QSQFDGVBTHNOMY-FZMZJTMJSA-N 2 0 299.371 -1.037 20 0 CAADRP CC(C)(O)CC[NH+]1CCN(C(=O)CNCC[NH3+])CC1 ZINC001161175283 780001241 /nfs/dbraw/zinc/00/12/41/780001241.db2.gz KGTFECSYHGSVAI-UHFFFAOYSA-N 2 0 272.393 -1.160 20 0 CAADRP CC(C)(O)CC[NH+]1CCN(C(=O)[C@H]2C[NH2+]C[C@@H]2O)CC1 ZINC001161176289 780001650 /nfs/dbraw/zinc/00/16/50/780001650.db2.gz SILVSRNSXUMARP-RYUDHWBXSA-N 2 0 285.388 -1.128 20 0 CAADRP C[C@H]1CN(C(=O)[C@@H]2COC3(C[NH2+]C3)CN2)C[C@H](C)[NH2+]1 ZINC001161229575 780001927 /nfs/dbraw/zinc/00/19/27/780001927.db2.gz MRVMMJCXHDREEF-DCAQKATOSA-N 2 0 268.361 -1.474 20 0 CAADRP CN(C(=O)[C@@H]([NH3+])CSCC[NH3+])[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001161221140 780002024 /nfs/dbraw/zinc/00/20/24/780002024.db2.gz JYWXDXWRFATICN-QCLAVDOMSA-N 3 0 258.391 -1.318 20 0 CAADRP CN(C(=O)[C@]12C[NH2+]C[C@H]1COC2)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001161219375 780002278 /nfs/dbraw/zinc/00/22/78/780002278.db2.gz PPQXSQFLOKCRCA-ONYIWYLUSA-N 2 0 251.330 -1.101 20 0 CAADRP COC(=O)[C@H]1CN(C)CCN1C(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001161236893 780002607 /nfs/dbraw/zinc/00/26/07/780002607.db2.gz HINMAJQNRKIOSY-WDEREUQCSA-N 2 0 286.376 -1.242 20 0 CAADRP COC(=O)[C@H]1CN(C)CCN1C(=O)[C@@H]([NH3+])CCC[NH3+] ZINC001161236814 780003863 /nfs/dbraw/zinc/00/38/63/780003863.db2.gz GUCMPRWIEJOJPX-VHSXEESVSA-N 2 0 272.349 -1.632 20 0 CAADRP C[C@H]1CN(C(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)C[C@H](C)[NH2+]1 ZINC001161231627 780003939 /nfs/dbraw/zinc/00/39/39/780003939.db2.gz MDFIIPDMUAUOHN-GVXVVHGQSA-N 3 0 283.420 -1.054 20 0 CAADRP C[C@H]1CN(C(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)C[C@H](C)[NH2+]1 ZINC001161231626 780004432 /nfs/dbraw/zinc/00/44/32/780004432.db2.gz MDFIIPDMUAUOHN-GMXVVIOVSA-N 3 0 283.420 -1.054 20 0 CAADRP [NH3+]C[C@]1(F)CCN(C(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)C1 ZINC001161239358 780004541 /nfs/dbraw/zinc/00/45/41/780004541.db2.gz JVDGAWZDILWUPV-JOYOIKCWSA-N 3 0 256.325 -1.305 20 0 CAADRP CS(=O)(=O)N(CC[NH3+])CC(=O)N1CC[C@](F)(C[NH3+])C1 ZINC001161246762 780004989 /nfs/dbraw/zinc/00/49/89/780004989.db2.gz ORLHGZCWYOLXQL-JTQLQIEISA-N 2 0 296.368 -1.894 20 0 CAADRP C[S@@](=O)CC[C@H]([NH3+])C(=O)N1CC[C@](F)(C[NH3+])C1 ZINC001161244985 780005036 /nfs/dbraw/zinc/00/50/36/780005036.db2.gz ACLFACYKSHACIZ-AATZLJGDSA-N 2 0 265.354 -1.018 20 0 CAADRP [NH3+]C[C@]1(F)CCN(C(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)C1 ZINC001161245352 780005567 /nfs/dbraw/zinc/00/55/67/780005567.db2.gz CVNVCDYMSATIIW-DGCLKSJQSA-N 3 0 287.383 -1.364 20 0 CAADRP C[S@](=O)CC[C@H]([NH3+])C(=O)N1CC[C@@](F)(C[NH3+])C1 ZINC001161244986 780005976 /nfs/dbraw/zinc/00/59/76/780005976.db2.gz ACLFACYKSHACIZ-BVMSISANSA-N 2 0 265.354 -1.018 20 0 CAADRP CNC(=O)NC1CCN(C(=O)[C@H]([NH3+])CCC[NH3+])CC1 ZINC001161268018 780006039 /nfs/dbraw/zinc/00/60/39/780006039.db2.gz BEEFFAVIAPREHK-SNVBAGLBSA-N 2 0 271.365 -1.027 20 0 CAADRP CS(=O)(=O)N(CC[NH3+])CC(=O)N1CC[C@@](F)(C[NH3+])C1 ZINC001161246763 780006052 /nfs/dbraw/zinc/00/60/52/780006052.db2.gz ORLHGZCWYOLXQL-SNVBAGLBSA-N 2 0 296.368 -1.894 20 0 CAADRP CNC(=O)NC1CCN(C(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)CC1 ZINC001161268080 780006079 /nfs/dbraw/zinc/00/60/79/780006079.db2.gz COHFXBZVWFJSOD-NSHDSACASA-N 2 0 295.387 -1.285 20 0 CAADRP CNC(=O)NC1CCN(C(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)CC1 ZINC001161268078 780006091 /nfs/dbraw/zinc/00/60/91/780006091.db2.gz COHFXBZVWFJSOD-LLVKDONJSA-N 2 0 295.387 -1.285 20 0 CAADRP [NH3+]CCC[C@H]([NH3+])C(=O)N1CCN(c2ncncn2)CC1 ZINC001161247411 780006151 /nfs/dbraw/zinc/00/61/51/780006151.db2.gz HAYWIANTYOJTIK-JTQLQIEISA-N 2 0 279.348 -1.414 20 0 CAADRP [NH3+][C@H]1CN[C@H](C(=O)N2CCC3(CCC(=O)N3)CC2)C1 ZINC001161299351 780007072 /nfs/dbraw/zinc/00/70/72/780007072.db2.gz VESBNZVZMGAFPQ-ZJUUUORDSA-N 2 0 266.345 -1.053 20 0 CAADRP CC(C)N(C(=O)[C@@H]1COC2(C[NH2+]C2)CN1)[C@H]1CC[NH2+]C1 ZINC001161351151 780008323 /nfs/dbraw/zinc/00/83/23/780008323.db2.gz GENUYCQHVDJUBF-RYUDHWBXSA-N 2 0 282.388 -1.084 20 0 CAADRP COC(=O)[C@@]1(C)COCCN1C(=O)[C@@H]([NH3+])CCC[NH3+] ZINC001161372478 780008375 /nfs/dbraw/zinc/00/83/75/780008375.db2.gz JOIFBCVUVGCAQU-JOYOIKCWSA-N 2 0 273.333 -1.157 20 0 CAADRP N[C@@H](CC[NH3+])C(=O)N1CC[C@H](N2CCC([NH3+])CC2)C1 ZINC001161377590 780008397 /nfs/dbraw/zinc/00/83/97/780008397.db2.gz IAWXOTLCXPEBNP-RYUDHWBXSA-N 2 0 269.393 -1.314 20 0 CAADRP CC(C)N(C(=O)[C@H]1COC2(C[NH2+]C2)CN1)[C@H]1CC[NH2+]C1 ZINC001161351147 780008425 /nfs/dbraw/zinc/00/84/25/780008425.db2.gz GENUYCQHVDJUBF-NWDGAFQWSA-N 2 0 282.388 -1.084 20 0 CAADRP COC(=O)[C@@]1(C)COCCN1C(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001161373367 780009409 /nfs/dbraw/zinc/00/94/09/780009409.db2.gz PPNBJBLEBFFVNV-GXFFZTMASA-N 2 0 297.355 -1.414 20 0 CAADRP [NH3+]C[C@@H](O)CC(=O)N1CC[C@@H](N2CCC([NH3+])CC2)C1 ZINC001161381271 780009434 /nfs/dbraw/zinc/00/94/34/780009434.db2.gz WZVIPNYGLRJCFA-NEPJUHHUSA-N 2 0 270.377 -1.280 20 0 CAADRP [NH3+]C1CCN([C@@H]2CCN(C(=O)[C@H]3C[NH2+]C[C@@H]3O)C2)CC1 ZINC001161381742 780009466 /nfs/dbraw/zinc/00/94/66/780009466.db2.gz ZKZUYPXVHTVFKL-AGIUHOORSA-N 2 0 282.388 -1.409 20 0 CAADRP [NH3+]CCNCC(=O)N1CCO[C@@H](C[NH+]2CCCC2)C1 ZINC001161387558 780009857 /nfs/dbraw/zinc/00/98/57/780009857.db2.gz COTIVRWXNKOVHM-LBPRGKRZSA-N 2 0 270.377 -1.142 20 0 CAADRP N[C@H]1C[NH2+]C[C@@H]1C(=O)N1CCO[C@@H](C[NH+]2CCCC2)C1 ZINC001161389179 780009871 /nfs/dbraw/zinc/00/98/71/780009871.db2.gz OUBSSKXNRVBNKP-AVGNSLFASA-N 2 0 282.388 -1.144 20 0 CAADRP N[C@@H](C[NH3+])C(=O)N1CC[C@@H](N2CCC([NH3+])CC2)C1 ZINC001161376791 780009935 /nfs/dbraw/zinc/00/99/35/780009935.db2.gz DFXGCEFPSUARCH-MNOVXSKESA-N 2 0 255.366 -1.704 20 0 CAADRP [NH3+][C@H]1CN[C@H](C(=O)N2CCO[C@@H](C[NH+]3CCCC3)C2)C1 ZINC001161387135 780010236 /nfs/dbraw/zinc/01/02/36/780010236.db2.gz AJLPGPHNSGLRPS-AGIUHOORSA-N 2 0 282.388 -1.001 20 0 CAADRP [NH3+]C1CCN([C@@H]2CCN(C(=O)[C@@H]3C[C@H](O)C[NH2+]3)C2)CC1 ZINC001161377967 780010291 /nfs/dbraw/zinc/01/02/91/780010291.db2.gz JRUTZRRVMSVQIH-AGIUHOORSA-N 2 0 282.388 -1.267 20 0 CAADRP N[C@H]1C[NH2+]C[C@@H]1C(=O)N1CC[C@@H](N2CCC([NH3+])CC2)C1 ZINC001161379424 780010423 /nfs/dbraw/zinc/01/04/23/780010423.db2.gz PAEIZWDNUHROKB-AGIUHOORSA-N 2 0 281.404 -1.443 20 0 CAADRP [NH3+][C@H]1CN[C@H](C(=O)N2CCO[C@H](C[NH+]3CCCC3)C2)C1 ZINC001161387136 780010601 /nfs/dbraw/zinc/01/06/01/780010601.db2.gz AJLPGPHNSGLRPS-UPJWGTAASA-N 2 0 282.388 -1.001 20 0 CAADRP [NH3+]CCNCC(=O)N1CCO[C@H](C[NH+]2CCCC2)C1 ZINC001161387556 780010734 /nfs/dbraw/zinc/01/07/34/780010734.db2.gz COTIVRWXNKOVHM-GFCCVEGCSA-N 2 0 270.377 -1.142 20 0 CAADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)N1CC[NH2+]C1 ZINC001161418541 780011365 /nfs/dbraw/zinc/01/13/65/780011365.db2.gz FKWSMIPMRFRNGE-RYUDHWBXSA-N 3 0 297.403 -1.177 20 0 CAADRP O=C([C@@H]1C[NH2+]CC12CCS(=O)(=O)CC2)N1CC[NH2+]C1 ZINC001161416002 780011774 /nfs/dbraw/zinc/01/17/74/780011774.db2.gz CKWHEYMHOYDNPC-JTQLQIEISA-N 2 0 287.385 -1.210 20 0 CAADRP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N1CC[NH2+]C1 ZINC001161418455 780011910 /nfs/dbraw/zinc/01/19/10/780011910.db2.gz AIZYVHCDBDDITM-BQBZGAKWSA-N 2 0 257.294 -2.917 20 0 CAADRP [NH3+][C@@H]1CC[C@@H]2CN(C(=O)[C@@H]3COC4(C[NH2+]C4)CN3)C[C@H]12 ZINC001161414029 780011931 /nfs/dbraw/zinc/01/19/31/780011931.db2.gz SDLYJZUWZJZAQB-KXNHARMFSA-N 2 0 280.372 -1.488 20 0 CAADRP C[C@H]([NH3+])C(=O)N1[C@H](C(=O)N2CC[NH2+]C2)COC1(C)C ZINC001161418524 780012404 /nfs/dbraw/zinc/01/24/04/780012404.db2.gz DKDRLXBUTCBPDY-IUCAKERBSA-N 2 0 270.333 -1.314 20 0 CAADRP O=C([C@@H]1COC2(C[NH2+]C2)CN1)N1CC[N@@H+]2CC[C@H]2C1 ZINC001161422112 780012512 /nfs/dbraw/zinc/01/25/12/780012512.db2.gz ZYSBFHDDBCFGDL-QWRGUYRKSA-N 2 0 266.345 -1.767 20 0 CAADRP O=C([C@H]1C[NH2+]CC12C[NH2+]C2)N1CC[N@@H+]2CC[C@H]2C1 ZINC001161420617 780012571 /nfs/dbraw/zinc/01/25/71/780012571.db2.gz IVKQRTHITLGOSW-WDEREUQCSA-N 3 0 250.346 -1.288 20 0 CAADRP O=C([C@H]1C[NH2+]CC12CCS(=O)(=O)CC2)N1CC[NH2+]C1 ZINC001161416004 780013001 /nfs/dbraw/zinc/01/30/01/780013001.db2.gz CKWHEYMHOYDNPC-SNVBAGLBSA-N 2 0 287.385 -1.210 20 0 CAADRP CS(=O)(=O)N(CC[NH3+])CC(=O)N1CC[N@@H+]2CC[C@@H]2C1 ZINC001161423692 780013355 /nfs/dbraw/zinc/01/33/55/780013355.db2.gz KDFHQXXUKWUZMZ-SNVBAGLBSA-N 2 0 290.389 -1.877 20 0 CAADRP C[NH+](C)CCN(C(=O)[C@@H]1C[C@H]([NH3+])CN1)[C@H]1CCC[NH2+]C1 ZINC001161448515 780013333 /nfs/dbraw/zinc/01/33/33/780013333.db2.gz DMFVNBXFIIJJSB-AVGNSLFASA-N 3 0 283.420 -1.182 20 0 CAADRP C[NH+](C)CCN(C(=O)[C@@H]1CNC(=O)N1)[C@H]1CCC[NH2+]C1 ZINC001161444682 780013510 /nfs/dbraw/zinc/01/35/10/780013510.db2.gz JXNZYOQMLYERTB-QWRGUYRKSA-N 2 0 283.376 -1.190 20 0 CAADRP C[NH+](C)CCN(C(=O)[C@@H]1C[NH2+]C[C@H]1O)[C@H]1CCC[NH2+]C1 ZINC001161444462 780013637 /nfs/dbraw/zinc/01/36/37/780013637.db2.gz IHMPLVDTZKELKM-YNEHKIRRSA-N 3 0 284.404 -1.291 20 0 CAADRP C[NH+](C)CCN(C(=O)[C@@H](N)C[NH3+])[C@H]1CCC[NH2+]C1 ZINC001161445496 780013712 /nfs/dbraw/zinc/01/37/12/780013712.db2.gz PMSJNZYLQSPVAB-QWRGUYRKSA-N 3 0 257.382 -1.585 20 0 CAADRP C[NH+](C)CCN(C(=O)C[C@@H](O)C[NH3+])[C@@H]1CCC[NH2+]C1 ZINC001161442894 780014041 /nfs/dbraw/zinc/01/40/41/780014041.db2.gz IGHWDVZVQXTZQP-VXGBXAGGSA-N 3 0 272.393 -1.162 20 0 CAADRP C[NH+](C)CCN(C(=O)C[C@H](O)C[NH3+])[C@H]1CCC[NH2+]C1 ZINC001161442893 780014087 /nfs/dbraw/zinc/01/40/87/780014087.db2.gz IGHWDVZVQXTZQP-RYUDHWBXSA-N 3 0 272.393 -1.162 20 0 CAADRP C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N1CC[N@@H+]2CC[C@H]2C1 ZINC001161423792 780014266 /nfs/dbraw/zinc/01/42/66/780014266.db2.gz OBNDMFPYIRVAPK-GUBZILKMSA-N 2 0 270.333 -2.273 20 0 CAADRP C[NH+](C)CCN(C(=O)[C@H]1C[NH2+]CCN1)[C@@H]1CCC[NH2+]C1 ZINC001161444213 780014516 /nfs/dbraw/zinc/01/45/16/780014516.db2.gz FMZFXSVUNOZGBV-CHWSQXEVSA-N 3 0 283.420 -1.310 20 0 CAADRP COC(=O)[C@]12CC[NH2+][C@H]1CN(C(=O)C[NH2+]CCC[NH3+])CC2 ZINC001161476595 780015041 /nfs/dbraw/zinc/01/50/41/780015041.db2.gz BIVPLVOIMCEFJT-FZMZJTMJSA-N 3 0 298.387 -1.322 20 0 CAADRP CO[C@@H]1CN(C(=O)[C@]23C[NH2+]C[C@H]2CCN3)C[C@@H]1[NH3+] ZINC001161492309 780015070 /nfs/dbraw/zinc/01/50/70/780015070.db2.gz NGVIXIDDPHCZRA-KLBPJQLPSA-N 3 0 254.334 -1.878 20 0 CAADRP CO[C@@H]1CN(C(=O)[C@]23C[NH2+]C[C@H]2COC3)C[C@@H]1[NH3+] ZINC001161491322 780015086 /nfs/dbraw/zinc/01/50/86/780015086.db2.gz BQLWYSUSIPBWBV-GUDRVLHUSA-N 2 0 255.318 -1.593 20 0 CAADRP COC(=O)[C@@]12CC[NH2+][C@H]1CN(C(=O)[C@@H](N)CC[NH3+])CC2 ZINC001161477369 780015137 /nfs/dbraw/zinc/01/51/37/780015137.db2.gz HKBZZGLMZZHLKG-OUJBWJOFSA-N 2 0 284.360 -1.584 20 0 CAADRP COC(=O)[C@]12CC[NH2+][C@H]1CN(C(=O)[C@@H]1C[C@H]([NH3+])CN1)CC2 ZINC001161476455 780015252 /nfs/dbraw/zinc/01/52/52/780015252.db2.gz AXJFYPHJGCYICU-RMIALFOJSA-N 2 0 296.371 -1.571 20 0 CAADRP C[C@@]1(C[NH3+])CCCN(C(=O)[C@@H]2COC3(C[NH2+]C3)CN2)C1 ZINC001161488225 780015351 /nfs/dbraw/zinc/01/53/51/780015351.db2.gz BFDLWBYCIKKUPT-AAEUAGOBSA-N 2 0 282.388 -1.096 20 0 CAADRP COC(=O)[C@@]12CC[NH2+][C@H]1CN(C(=O)C[NH2+]CCC[NH3+])CC2 ZINC001161476598 780015388 /nfs/dbraw/zinc/01/53/88/780015388.db2.gz BIVPLVOIMCEFJT-SMDDNHRTSA-N 3 0 298.387 -1.322 20 0 CAADRP C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N1CCC[C@@](C)(C[NH3+])C1 ZINC001161487995 780015408 /nfs/dbraw/zinc/01/54/08/780015408.db2.gz JBWHUJMHEUCAIT-KWBADKCTSA-N 2 0 286.376 -1.602 20 0 CAADRP COC(=O)[C@@]12CC[NH2+][C@@H]1CN(C(=O)[C@@H]1C[C@H](O)C[NH2+]1)CC2 ZINC001161479145 780015510 /nfs/dbraw/zinc/01/55/10/780015510.db2.gz OJGUYZWKJZBBLM-KZWBYHQPSA-N 2 0 297.355 -1.537 20 0 CAADRP COC(=O)[C@]12CC[NH2+][C@@H]1CN(C(=O)[C@H]1C[NH2+]C[C@H]1O)CC2 ZINC001161478493 780015611 /nfs/dbraw/zinc/01/56/11/780015611.db2.gz IHIZHQLRBIXWPN-OXIWPEFWSA-N 2 0 297.355 -1.680 20 0 CAADRP COC(=O)[C@]12CC[NH2+][C@H]1CN(C(=O)[C@H]1C[NH2+]CCN1)CC2 ZINC001161481057 780015913 /nfs/dbraw/zinc/01/59/13/780015913.db2.gz WEHHTRVAPYWZPV-SUNKGSAMSA-N 2 0 296.371 -1.699 20 0 CAADRP COC(=O)[C@@]12CC[NH2+][C@@H]1CN(C(=O)[C@@H]1C[C@H]([NH3+])CN1)CC2 ZINC001161476454 780015934 /nfs/dbraw/zinc/01/59/34/780015934.db2.gz AXJFYPHJGCYICU-KZWBYHQPSA-N 2 0 296.371 -1.571 20 0 CAADRP COC(=O)[C@]12CC[NH2+][C@H]1CN(C(=O)[C@H]1C[C@@H](O)C[NH2+]1)CC2 ZINC001161479147 780016017 /nfs/dbraw/zinc/01/60/17/780016017.db2.gz OJGUYZWKJZBBLM-PUHVVEEASA-N 2 0 297.355 -1.537 20 0 CAADRP COC(=O)[C@@]12CC[NH2+][C@@H]1CN(C(=O)[C@H]1C[NH2+]CCN1)CC2 ZINC001161481056 780016027 /nfs/dbraw/zinc/01/60/27/780016027.db2.gz WEHHTRVAPYWZPV-JTNHKYCSSA-N 2 0 296.371 -1.699 20 0 CAADRP COC(=O)[C@]12CC[NH2+][C@H]1CN(C(=O)[C@@H](N)C[NH3+])CC2 ZINC001161478675 780016114 /nfs/dbraw/zinc/01/61/14/780016114.db2.gz NPPAJZGREOEMLK-AUTRQRHGSA-N 2 0 270.333 -1.974 20 0 CAADRP CO[C@@H]1CN(C(=O)[C@H]([NH3+])C2CC[NH2+]CC2)C[C@@H]1[NH3+] ZINC001161493045 780016444 /nfs/dbraw/zinc/01/64/44/780016444.db2.gz AOVWMFFGAAWOFH-HBNTYKKESA-N 3 0 256.350 -1.502 20 0 CAADRP C[N@H+](C1CN(C(=O)[C@]23C[NH2+]C[C@H]2CCN3)C1)[C@H]1CCOC1 ZINC001161498555 780016480 /nfs/dbraw/zinc/01/64/80/780016480.db2.gz JVOGMKVOZXEHLQ-XUJVJEKNSA-N 2 0 294.399 -1.131 20 0 CAADRP CO[C@@H]1CN(C(=O)[C@@H]([NH3+])C2CC[NH2+]CC2)C[C@@H]1[NH3+] ZINC001161493044 780016537 /nfs/dbraw/zinc/01/65/37/780016537.db2.gz AOVWMFFGAAWOFH-AXFHLTTASA-N 3 0 256.350 -1.502 20 0 CAADRP [NH3+][C@@H](C(=O)N1C[C@@H]2COC[C@H](C1)C2=O)C1CC[NH2+]CC1 ZINC001161491643 780016716 /nfs/dbraw/zinc/01/67/16/780016716.db2.gz GYORJQKQYYTHNJ-GRYCIOLGSA-N 2 0 281.356 -1.013 20 0 CAADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N1C[C@@H](OC)[C@@H]([NH3+])C1 ZINC001161492795 780016775 /nfs/dbraw/zinc/01/67/75/780016775.db2.gz XDPPJMBFUZKEFV-GARJFASQSA-N 3 0 258.366 -1.112 20 0 CAADRP C[N@H+](C1CN(C(=O)[C@@]2(N)CCC[NH2+]C2)C1)[C@H]1CCOC1 ZINC001161497831 780016784 /nfs/dbraw/zinc/01/67/84/780016784.db2.gz GERXNEVNPOZGGN-SMDDNHRTSA-N 2 0 282.388 -1.001 20 0 CAADRP CO[C@@H]1CN(C(=O)[C@@]23CC[C@@H](N2)[C@H]([NH3+])C3)C[C@@H]1[NH3+] ZINC001161492684 780016853 /nfs/dbraw/zinc/01/68/53/780016853.db2.gz VDFXOMFLLUIDQN-KNDBQHFLSA-N 2 0 254.334 -1.607 20 0 CAADRP C[N@H+](C1CN(C(=O)[C@@]23C[NH2+]C[C@H]2CCN3)C1)[C@H]1CCOC1 ZINC001161498551 780016923 /nfs/dbraw/zinc/01/69/23/780016923.db2.gz JVOGMKVOZXEHLQ-TYNCELHUSA-N 2 0 294.399 -1.131 20 0 CAADRP CO[C@@H]1CN(C(=O)[C@@H]([NH3+])CC[S@](C)=O)C[C@@H]1[NH3+] ZINC001161493278 780016964 /nfs/dbraw/zinc/01/69/64/780016964.db2.gz IYRYHLPZHFKAQE-ZSXGMWBVSA-N 2 0 263.363 -1.733 20 0 CAADRP CO[C@@H]1CN(C(=O)[C@H]([NH3+])Cc2cnc[nH]2)C[C@@H]1[NH3+] ZINC001161491844 780017108 /nfs/dbraw/zinc/01/71/08/780017108.db2.gz JAYLOUCPYBTXSP-KXUCPTDWSA-N 2 0 253.306 -1.536 20 0 CAADRP CO[C@@H]1CN(C(=O)[C@H]2COC3(C[NH2+]C3)CN2)C[C@@H]1[NH3+] ZINC001161491385 780017144 /nfs/dbraw/zinc/01/71/44/780017144.db2.gz FAGGQZPCRGTDAT-IVZWLZJFSA-N 2 0 270.333 -2.499 20 0 CAADRP C[N@H+](C1CN(C(=O)[C@H]2C[C@@H](O)C[NH2+]2)C1)[C@H]1CCOC1 ZINC001161497745 780017195 /nfs/dbraw/zinc/01/71/95/780017195.db2.gz CNWQKQUEMAYLAV-MVWJERBFSA-N 2 0 269.345 -1.359 20 0 CAADRP CO[C@@H]1CN(C(=O)[C@@H]([NH3+])Cc2cncn2C)C[C@@H]1[NH3+] ZINC001161492320 780017249 /nfs/dbraw/zinc/01/72/49/780017249.db2.gz NQSWRUHDAMGGND-GARJFASQSA-N 2 0 267.333 -1.526 20 0 CAADRP C[N@H+](C1CN(C(=O)[C@@]23C[NH2+]C[C@@H]2CCN3)C1)[C@H]1CCOC1 ZINC001161498547 780017701 /nfs/dbraw/zinc/01/77/01/780017701.db2.gz JVOGMKVOZXEHLQ-SLEUVZQESA-N 2 0 294.399 -1.131 20 0 CAADRP CO[C@@H]1CN(C(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)C[C@@H]1[NH3+] ZINC001161491710 780017744 /nfs/dbraw/zinc/01/77/44/780017744.db2.gz IFQQKQKPGZZYSR-KXUCPTDWSA-N 3 0 254.334 -2.020 20 0 CAADRP CO[C@@H]1CN(C(=O)CN(CC[NH3+])S(C)(=O)=O)C[C@@H]1[NH3+] ZINC001161493048 780017765 /nfs/dbraw/zinc/01/77/65/780017765.db2.gz AQKAKUZCLQYOKC-DTWKUNHWSA-N 2 0 294.377 -2.609 20 0 CAADRP CO[C@@H]1CN(C(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3N2)C[C@@H]1[NH3+] ZINC001161492359 780017864 /nfs/dbraw/zinc/01/78/64/780017864.db2.gz OONVRWISLHKNGL-LADJIXMOSA-N 2 0 254.334 -1.879 20 0 CAADRP CC(=O)N[C@@H](CCCC[NH3+])C(=O)N1C[C@H]([NH3+])C2(COC2)C1 ZINC001161510406 780018257 /nfs/dbraw/zinc/01/82/57/780018257.db2.gz OOJWIFYMNMBTLJ-RYUDHWBXSA-N 2 0 298.387 -1.194 20 0 CAADRP C[N@H+](C1CN(C(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)C1)[C@H]1CCOC1 ZINC001161498720 780018323 /nfs/dbraw/zinc/01/83/23/780018323.db2.gz LJLFHCOTVMKMLK-WCQYABFASA-N 3 0 294.399 -1.273 20 0 CAADRP [NH3+][C@@H]1C[C@]2(C(=O)N3C[C@@H]([NH3+])C4(COC4)C3)CC[C@H]1N2 ZINC001161507769 780018366 /nfs/dbraw/zinc/01/83/66/780018366.db2.gz AHEKXPPODNMDFQ-PRFIWBCESA-N 2 0 266.345 -1.606 20 0 CAADRP CCOC(=O)[C@@H]1C[NH2+]C[C@H]1C(=O)N1C[C@H]([NH3+])C2(COC2)C1 ZINC001161510379 780018395 /nfs/dbraw/zinc/01/83/95/780018395.db2.gz OBKNYJZROACKNV-MXWKQRLJSA-N 2 0 297.355 -1.429 20 0 CAADRP [NH3+][C@H]1CN(C(=O)[C@H]2COC3(C[NH2+]C3)CN2)CC12COC2 ZINC001161509330 780018427 /nfs/dbraw/zinc/01/84/27/780018427.db2.gz IZIYTKVLGVVVRO-ZJUUUORDSA-N 2 0 282.344 -2.497 20 0 CAADRP [NH3+][C@H](Cc1cnc[nH]1)C(=O)N1C[C@@H]([NH3+])C2(COC2)C1 ZINC001161499788 780018554 /nfs/dbraw/zinc/01/85/54/780018554.db2.gz IIHGDHSTJNASPE-NXEZZACHSA-N 2 0 265.317 -1.534 20 0 CAADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)N1C[C@H]([NH3+])C2(COC2)C1 ZINC001161508942 780018773 /nfs/dbraw/zinc/01/87/73/780018773.db2.gz HBUXTBGRKBDDME-RYUDHWBXSA-N 3 0 297.403 -2.077 20 0 CAADRP [NH3+][C@@H]1CN(C(=O)[C@]23C[NH2+]C[C@H]2CCN3)CC12COC2 ZINC001161507928 780019122 /nfs/dbraw/zinc/01/91/22/780019122.db2.gz BZSVJPLRLRYJMU-BREBYQMCSA-N 2 0 266.345 -1.876 20 0 CAADRP C[N@H+](C1CN(C(=O)[C@@H](N)CC[NH3+])C1)[C@H]1CCOC1 ZINC001161499986 780019145 /nfs/dbraw/zinc/01/91/45/780019145.db2.gz RAGUHVJGNCJOTM-ONGXEEELSA-N 2 0 256.350 -1.406 20 0 CAADRP [NH3+][C@H]1CN(C(=O)[C@@H]2C[C@@H]3CC[NH2+]C[C@H]3O2)CC12COC2 ZINC001161509486 780019511 /nfs/dbraw/zinc/01/95/11/780019511.db2.gz KHCAWEBUYQNABG-YFKTTZPYSA-N 2 0 281.356 -1.061 20 0 CAADRP CCOC(=O)[C@@H]1C[NH2+]C[C@H]1C(=O)N1C[C@@H]([NH3+])C2(COC2)C1 ZINC001161510378 780019878 /nfs/dbraw/zinc/01/98/78/780019878.db2.gz OBKNYJZROACKNV-GMTAPVOTSA-N 2 0 297.355 -1.429 20 0 CAADRP C[N@H+](C1CN(C(=O)[C@]2(N)CC[NH2+]C2)C1)[C@H]1CCOC1 ZINC001161498689 780019923 /nfs/dbraw/zinc/01/99/23/780019923.db2.gz LDQKZXDFIMUBBU-GWCFXTLKSA-N 2 0 268.361 -1.391 20 0 CAADRP [NH3+][C@@H]1CN(C(=O)[C@@]23C[NH2+]C[C@H]2CCN3)CC12COC2 ZINC001161508193 780020007 /nfs/dbraw/zinc/02/00/07/780020007.db2.gz BZSVJPLRLRYJMU-GIPNMCIBSA-N 2 0 266.345 -1.876 20 0 CAADRP [NH3+][C@@H](C(=O)N1C[C@H]([NH3+])C2(COC2)C1)C1CC[NH2+]CC1 ZINC001161509321 780020120 /nfs/dbraw/zinc/02/01/20/780020120.db2.gz IZHNWHSZNMQGKS-WDEREUQCSA-N 3 0 268.361 -1.501 20 0 CAADRP NC(=O)NCCC[C@@H]([NH3+])C(=O)N1CC[NH2+]C2(CC2)C1 ZINC001161544897 780020464 /nfs/dbraw/zinc/02/04/64/780020464.db2.gz ILBZADWOYHMUDB-SECBINFHSA-N 2 0 269.349 -1.273 20 0 CAADRP C[NH+]1CC2(CN(C(=O)[C@]34C[NH2+]C[C@@H]3CCN4)C2)C1 ZINC001161532724 780020566 /nfs/dbraw/zinc/02/05/66/780020566.db2.gz XHEPEHCOEUQSEF-GWCFXTLKSA-N 2 0 250.346 -1.288 20 0 CAADRP CC(=O)OC[C@H]([NH3+])C(=O)N1C[C@@H]([NH3+])C2(COC2)C1 ZINC001161511145 780020742 /nfs/dbraw/zinc/02/07/42/780020742.db2.gz XFDYRWXUHQHRMJ-DTWKUNHWSA-N 2 0 257.290 -1.937 20 0 CAADRP O=C(N1CC[NH2+]C2(CC2)C1)[C@]12C[NH2+]C[C@@H]1CCN2 ZINC001161544869 780020798 /nfs/dbraw/zinc/02/07/98/780020798.db2.gz HJGLNKOUALLOJO-GWCFXTLKSA-N 2 0 250.346 -1.098 20 0 CAADRP C[NH+]1CC2(CN(C(=O)[C@@]34C[NH2+]C[C@@H]3CCN4)C2)C1 ZINC001161532726 780020906 /nfs/dbraw/zinc/02/09/06/780020906.db2.gz XHEPEHCOEUQSEF-GXFFZTMASA-N 2 0 250.346 -1.288 20 0 CAADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)[C@H]([NH3+])CCCNC(N)=O ZINC001161530312 780020934 /nfs/dbraw/zinc/02/09/34/780020934.db2.gz VNRMPXYMVXFVSM-HRDYMLBCSA-N 2 0 257.338 -1.290 20 0 CAADRP O=C([C@H]1NC(=O)CC12C[NH2+]C2)N1CC[NH2+]C2(CC2)C1 ZINC001161545329 780020954 /nfs/dbraw/zinc/02/09/54/780020954.db2.gz QTXGJPGJOXMFET-SNVBAGLBSA-N 2 0 264.329 -1.571 20 0 CAADRP NC(=[NH2+])NCCCCC(=O)N1C[C@H]([NH3+])C2(COC2)C1 ZINC001161510593 780021018 /nfs/dbraw/zinc/02/10/18/780021018.db2.gz PFUXJVNGQNWSGH-VIFPVBQESA-N 2 0 269.349 -1.174 20 0 CAADRP C[NH+]1CC2(CN(C(=O)[C@]34C[NH2+]C[C@H]3CCN4)C2)C1 ZINC001161532727 780021163 /nfs/dbraw/zinc/02/11/63/780021163.db2.gz XHEPEHCOEUQSEF-MFKMUULPSA-N 2 0 250.346 -1.288 20 0 CAADRP CCOC(=O)C1(C(=O)N2C[C@@H]([NH3+])C3(COC3)C2)C[NH2+]C1 ZINC001161511101 780021218 /nfs/dbraw/zinc/02/12/18/780021218.db2.gz WMKQQSZWRPFVBT-SECBINFHSA-N 2 0 283.328 -1.675 20 0 CAADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)[C@H]1COC2(C[NH2+]C2)CN1 ZINC001161529760 780021293 /nfs/dbraw/zinc/02/12/93/780021293.db2.gz GTOZDHQOVQEKET-KXUCPTDWSA-N 2 0 254.334 -1.735 20 0 CAADRP CS(=O)(=O)N(CC[NH3+])CC(=O)N1CC[NH2+]C2(CC2)C1 ZINC001161548826 780021481 /nfs/dbraw/zinc/02/14/81/780021481.db2.gz XSYRKEIWRPIOTD-UHFFFAOYSA-N 2 0 290.389 -1.829 20 0 CAADRP O=C([C@@H]1C[C@H]2C[NH2+]C[C@H]2N1)N1CC[NH2+]C2(CC2)C1 ZINC001161545269 780021373 /nfs/dbraw/zinc/02/13/73/780021373.db2.gz ORVLFEBSOBPNAE-GARJFASQSA-N 2 0 250.346 -1.099 20 0 CAADRP C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N1C[C@@H]([NH3+])C[C@H]1C ZINC001161530366 780021535 /nfs/dbraw/zinc/02/15/35/780021535.db2.gz XOHYPYDEDPTKBV-XGEHTFHBSA-N 2 0 258.322 -2.241 20 0 CAADRP C[NH+]1CC2(CN(C(=O)CN(CC[NH3+])S(C)(=O)=O)C2)C1 ZINC001161531761 780021761 /nfs/dbraw/zinc/02/17/61/780021761.db2.gz ILVLYTGLDMYGNF-UHFFFAOYSA-N 2 0 290.389 -2.019 20 0 CAADRP O=C([C@@H]1COC2(C[NH2+]C2)CN1)N1CC[NH2+]C2(CC2)C1 ZINC001161544714 780021897 /nfs/dbraw/zinc/02/18/97/780021897.db2.gz GEMIAUXHQNWGAX-JTQLQIEISA-N 2 0 266.345 -1.719 20 0 CAADRP C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N1C[C@H]([NH3+])C2(COC2)C1 ZINC001161511001 780021993 /nfs/dbraw/zinc/02/19/93/780021993.db2.gz USPSUGLTXWQTJU-CIUDSAMLSA-N 2 0 286.332 -3.003 20 0 CAADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)N1CC[NH2+]C2(CC2)C1 ZINC001161550048 780022531 /nfs/dbraw/zinc/02/25/31/780022531.db2.gz APEOZCZKLQUIEA-GFCCVEGCSA-N 3 0 281.404 -1.299 20 0 CAADRP C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N1CC[NH2+]C2(CC2)C1 ZINC001161550960 780022610 /nfs/dbraw/zinc/02/26/10/780022610.db2.gz VYBQUJBKTVBSOO-IUCAKERBSA-N 2 0 270.333 -2.225 20 0 CAADRP COCCOC1CN(C(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)C1 ZINC001161570987 780023246 /nfs/dbraw/zinc/02/32/46/780023246.db2.gz OFPQSUFONCBBRC-LLVKDONJSA-N 2 0 269.345 -1.331 20 0 CAADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)[C@H]1C[NH2+]CCO1 ZINC000250358520 780028915 /nfs/dbraw/zinc/02/89/15/780028915.db2.gz AZSAAYLHCSZFET-GHMZBOCLSA-N 2 0 256.350 -1.663 20 0 CAADRP O=C(NCCC[NH2+]CCO)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001162872214 780052625 /nfs/dbraw/zinc/05/26/25/780052625.db2.gz KNPLAQUXLNVERH-MBHSVXNSSA-N 2 0 283.372 -1.062 20 0 CAADRP NC(=O)C[NH2+]CCCNC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001162872371 780053308 /nfs/dbraw/zinc/05/33/08/780053308.db2.gz PWYNHSLWPJRIEG-CVZZAPKMSA-N 2 0 296.371 -1.569 20 0 CAADRP COc1c(C2C[NH2+]C2)ncnc1N(CC[NH3+])CCO ZINC001163832981 780062103 /nfs/dbraw/zinc/06/21/03/780062103.db2.gz ZVQVYZKWQYZSQG-UHFFFAOYSA-N 2 0 267.333 -1.071 20 0 CAADRP Nc1nc(N2CC([NH2+][C@H]3CCOC3)C2)nc(N)[nH+]1 ZINC001164234472 780070422 /nfs/dbraw/zinc/07/04/22/780070422.db2.gz PBXUPFHLVVWMKC-LURJTMIESA-N 2 0 251.294 -1.397 20 0 CAADRP C[NH2+]Cc1cc(N(C)S(=O)(=O)CC[NH3+])ncn1 ZINC001164292334 780071721 /nfs/dbraw/zinc/07/17/21/780071721.db2.gz JQLUMBABHHJSRF-UHFFFAOYSA-N 2 0 259.335 -1.079 20 0 CAADRP CN(c1ncnc2c1C[NH2+]CC2)S(=O)(=O)CC[NH3+] ZINC001164288797 780072347 /nfs/dbraw/zinc/07/23/47/780072347.db2.gz SIOOZLSJURHVCX-UHFFFAOYSA-N 2 0 271.346 -1.153 20 0 CAADRP CC(C)[N@@H+]1CCO[C@H](C(=O)NCCC[NH2+]CC(N)=O)C1 ZINC001164538373 780074867 /nfs/dbraw/zinc/07/48/67/780074867.db2.gz FRVDCRJZPHNUDO-NSHDSACASA-N 2 0 286.376 -1.323 20 0 CAADRP C[NH+](C)CC1(C(=O)NCCC[NH2+]CC(=O)NC(N)=O)CC1 ZINC001165254575 780076697 /nfs/dbraw/zinc/07/66/97/780076697.db2.gz QMLYRJSXLACMGD-UHFFFAOYSA-N 2 0 299.375 -1.381 20 0 CAADRP [NH3+]Cc1cc(N2CC(=O)NC3(CC[NH2+]CC3)C2)ncn1 ZINC001165253170 780076898 /nfs/dbraw/zinc/07/68/98/780076898.db2.gz WEODWNMSAPKULS-UHFFFAOYSA-N 2 0 276.344 -1.006 20 0 CAADRP O=C1NCCN(c2ncnc3c2CC[NH2+]C3)C12C[NH2+]C2 ZINC001165297136 780078135 /nfs/dbraw/zinc/07/81/35/780078135.db2.gz AXFXSUSLLFJIKU-UHFFFAOYSA-N 2 0 274.328 -1.600 20 0 CAADRP O=C1NCCN(c2ncc3c(n2)C[NH2+]C3)C12C[NH2+]C2 ZINC001165298697 780078409 /nfs/dbraw/zinc/07/84/09/780078409.db2.gz SAJLDFQXTPNYBS-UHFFFAOYSA-N 2 0 260.301 -1.642 20 0 CAADRP C[NH+](C)CCCC(=O)NCCC[NH2+]CC(=O)NC(N)=O ZINC001165360881 780079825 /nfs/dbraw/zinc/07/98/25/780079825.db2.gz VAEIVYYBIWOMQC-UHFFFAOYSA-N 2 0 287.364 -1.381 20 0 CAADRP CNC(=O)NC(=O)C[NH2+]CCCNC(=O)CC[NH+](C)C ZINC001165794062 780088210 /nfs/dbraw/zinc/08/82/10/780088210.db2.gz JVFFVDTXAQZDCD-UHFFFAOYSA-N 2 0 287.364 -1.510 20 0 CAADRP C[NH+](C)CCC(=O)NCCC[NH2+]CC(=O)NC(N)=O ZINC001165781518 780088559 /nfs/dbraw/zinc/08/85/59/780088559.db2.gz SWQIMEBHZGWHJI-UHFFFAOYSA-N 2 0 273.337 -1.771 20 0 CAADRP C[C@H]([NH2+]CCCNC(=O)CC[NH+](C)C)C(=O)NC(N)=O ZINC001165789044 780088762 /nfs/dbraw/zinc/08/87/62/780088762.db2.gz WOLRFDSITHXUQT-VIFPVBQESA-N 2 0 287.364 -1.383 20 0 CAADRP C[NH+]1CCC(C(=O)NCCC[NH2+]CC(N)=O)CC1 ZINC001165771816 780088909 /nfs/dbraw/zinc/08/89/09/780088909.db2.gz AXKAFORLLOQLPS-UHFFFAOYSA-N 2 0 256.350 -1.091 20 0 CAADRP C[NH+](C)CCC(=O)NCCC[NH2+][C@H]1CCNC1=O ZINC001165793851 780088921 /nfs/dbraw/zinc/08/89/21/780088921.db2.gz CWMBZEMYJJIQDR-JTQLQIEISA-N 2 0 256.350 -1.078 20 0 CAADRP C[NH+]1CCC(C(=O)NCCC[NH2+]CC(=O)NC(N)=O)CC1 ZINC001165772092 780089002 /nfs/dbraw/zinc/08/90/02/780089002.db2.gz JSMMSKJTKWHDPL-UHFFFAOYSA-N 2 0 299.375 -1.381 20 0 CAADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCCC[NH2+]CC(=O)NC(N)=O ZINC001166694927 780092599 /nfs/dbraw/zinc/09/25/99/780092599.db2.gz YUWHJLOHORJRAB-NXEZZACHSA-N 2 0 299.375 -1.525 20 0 CAADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCCC[NH2+]CC(N)=O ZINC001166707741 780093028 /nfs/dbraw/zinc/09/30/28/780093028.db2.gz ISGBPCDALUJREM-ZJUUUORDSA-N 2 0 256.350 -1.235 20 0 CAADRP CC[C@@H](C(=O)NCCC[NH2+]CC(=O)NC(N)=O)[NH+](C)C ZINC001166857718 780098198 /nfs/dbraw/zinc/09/81/98/780098198.db2.gz HUHZUCRGLWFZKI-VIFPVBQESA-N 2 0 287.364 -1.383 20 0 CAADRP CS(=O)(=O)N(c1ncc2c(n1)CC[NH2+]C2)C1C[NH2+]C1 ZINC001166966416 780100350 /nfs/dbraw/zinc/10/03/50/780100350.db2.gz DZUSCRFSSHCEFT-UHFFFAOYSA-N 2 0 283.357 -1.140 20 0 CAADRP [NH3+]CCNC(=O)c1cccc(CN2C[C@@H]([NH3+])[C@H](O)C2)c1 ZINC001205364030 780105265 /nfs/dbraw/zinc/10/52/65/780105265.db2.gz ZOGTZVHSBZFJNC-CHWSQXEVSA-N 2 0 278.356 -1.121 20 0 CAADRP Cc1[nH]c(=O)[nH]c(=O)c1C[N@@H+]1C[C@@H](O)[C@@H](C[NH3+])C1 ZINC001206469051 780110376 /nfs/dbraw/zinc/11/03/76/780110376.db2.gz NISJBXQCWIPBEO-IONNQARKSA-N 2 0 254.290 -1.052 20 0 CAADRP [NH3+]C[C@H]1CN(Cc2cnc3n2CC[NH2+]CC3)C[C@@H]1O ZINC001206518975 780110715 /nfs/dbraw/zinc/11/07/15/780110715.db2.gz GYOBGSJUDGUHBF-JQWIXIFHSA-N 2 0 265.361 -1.220 20 0 CAADRP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1[NH2+]CC(=O)NC(N)=O ZINC001215455895 780157205 /nfs/dbraw/zinc/15/72/05/780157205.db2.gz IHNCEMISZZJFKP-NXEZZACHSA-N 2 0 299.375 -1.431 20 0 CAADRP Cn1nnnc1NC(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001218496366 780165397 /nfs/dbraw/zinc/16/53/97/780165397.db2.gz JMMXNOSMYMFIBR-QMMMGPOBSA-N 2 0 268.325 -2.101 20 0 CAADRP Cn1[nH]cnc1=NC(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001218500811 780165781 /nfs/dbraw/zinc/16/57/81/780165781.db2.gz HRHDCQDTBNBJTL-LDYMZIIASA-N 2 0 250.306 -1.625 20 0 CAADRP O=C(N=c1ncnc2[nH][nH]cc1-2)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001218516760 780166822 /nfs/dbraw/zinc/16/68/22/780166822.db2.gz DJETYJFCVVUWMJ-MRVPVSSYSA-N 2 0 273.300 -1.526 20 0 CAADRP O=C(Nc1ncnc2n[nH]nc21)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001218515953 780167113 /nfs/dbraw/zinc/16/71/13/780167113.db2.gz OXBUYTDPQRWGSU-ZCFIWIBFSA-N 2 0 274.288 -1.505 20 0 CAADRP O=C(Nc1ncnc2n[nH]nc21)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001218515783 780167439 /nfs/dbraw/zinc/16/74/39/780167439.db2.gz MKOOAZPVCMZKBO-JMCQJSRRSA-N 2 0 288.315 -1.115 20 0 CAADRP Nc1nonc1NC(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001218542198 780169315 /nfs/dbraw/zinc/16/93/15/780169315.db2.gz MOEOBRUSVSVOBZ-LHLIQPBNSA-N 2 0 252.278 -1.211 20 0 CAADRP NC(=O)c1n[nH]cc1NC(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001218563526 780170196 /nfs/dbraw/zinc/17/01/96/780170196.db2.gz CFPHYWBGJSGXNN-MRVPVSSYSA-N 2 0 295.347 -1.803 20 0 CAADRP NC(=O)c1n[nH]cc1NC(=O)[C@H]([NH3+])C1CC[NH2+]CC1 ZINC001218564604 780170988 /nfs/dbraw/zinc/17/09/88/780170988.db2.gz KWYHAVOFSBDYJX-MRVPVSSYSA-N 2 0 266.305 -1.226 20 0 CAADRP O=C(Nc1ncnn2cccc12)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001218565471 780172430 /nfs/dbraw/zinc/17/24/30/780172430.db2.gz UDQKZHJEOVOXII-VIFPVBQESA-N 2 0 272.312 -1.101 20 0 CAADRP Nc1c(NC(=O)[C@H]([NH3+])C2CC[NH2+]CC2)c(=O)c1=O ZINC001218588185 780173265 /nfs/dbraw/zinc/17/32/65/780173265.db2.gz PIZBMRNDUOSVBJ-ZCFIWIBFSA-N 2 0 252.274 -1.870 20 0 CAADRP Nc1c(=O)c(=O)c1NC(=O)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001218589266 780173290 /nfs/dbraw/zinc/17/32/90/780173290.db2.gz UXIFREBKBIXBLN-ZETCQYMHSA-N 2 0 278.312 -1.323 20 0 CAADRP Nc1c(=O)c(=O)c1NC(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001218589389 780173732 /nfs/dbraw/zinc/17/37/32/780173732.db2.gz ZNSQVOXAEGBQHK-SREIQFSDSA-N 2 0 264.285 -1.998 20 0 CAADRP Nc1c(=O)c(=O)c1NC(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001218589086 780173902 /nfs/dbraw/zinc/17/39/02/780173902.db2.gz RIYAZCVQAMGOHS-YFKPBYRVSA-N 2 0 250.258 -2.388 20 0 CAADRP NC(=O)c1nccnc1NC(=O)[C@@H]([NH3+])C1CC[NH2+]CC1 ZINC001218617373 780174776 /nfs/dbraw/zinc/17/47/76/780174776.db2.gz FRYMXIMAVSTDBZ-QMMMGPOBSA-N 2 0 278.316 -1.159 20 0 CAADRP COC(=O)Cn1cc(NC(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)cn1 ZINC001218610447 780175247 /nfs/dbraw/zinc/17/52/47/780175247.db2.gz OTTHJYYYFWXHTB-SNVBAGLBSA-N 2 0 293.327 -1.196 20 0 CAADRP NC(=O)c1nccnc1NC(=O)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001218617989 780175365 /nfs/dbraw/zinc/17/53/65/780175365.db2.gz NBFULSRPIUNKTM-SSDOTTSWSA-N 2 0 276.300 -1.677 20 0 CAADRP NC(=O)c1nccnc1NC(=O)[C@H]([NH3+])C1CC[NH2+]CC1 ZINC001218617372 780175508 /nfs/dbraw/zinc/17/55/08/780175508.db2.gz FRYMXIMAVSTDBZ-MRVPVSSYSA-N 2 0 278.316 -1.159 20 0 CAADRP NC(=O)c1nccnc1NC(=O)[C@@H]([NH3+])CSCC[NH3+] ZINC001218619096 780176355 /nfs/dbraw/zinc/17/63/55/780176355.db2.gz XRNOOSANDNMQTA-LURJTMIESA-N 2 0 284.345 -1.467 20 0 CAADRP NC(=O)c1nccnc1NC(=O)[C@H]([NH3+])CCC[NH3+] ZINC001218619150 780176762 /nfs/dbraw/zinc/17/67/62/780176762.db2.gz ZLXAHOBIODOZME-ZCFIWIBFSA-N 2 0 252.278 -1.420 20 0 CAADRP CN(C(=O)[C@H]1C[NH2+]CC12C[NH2+]C2)c1nccnc1N ZINC001218623427 780176791 /nfs/dbraw/zinc/17/67/91/780176791.db2.gz MKFOJTJAPXLSNH-MRVPVSSYSA-N 2 0 262.317 -1.169 20 0 CAADRP Nc1cn(C(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)nc1N ZINC001218627691 780177046 /nfs/dbraw/zinc/17/70/46/780177046.db2.gz UYPPUKAFAOBAEX-RDDDGLTNSA-N 2 0 250.306 -1.113 20 0 CAADRP CN(C(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1)c1nccnc1N ZINC001218623429 780177143 /nfs/dbraw/zinc/17/71/43/780177143.db2.gz MKRGFLPFEQSOLL-JTQLQIEISA-N 2 0 293.375 -1.228 20 0 CAADRP O=C(Nc1cnn(C2C[NH2+]C2)c1)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001218641404 780177969 /nfs/dbraw/zinc/17/79/69/780177969.db2.gz RDANPRAOKMVNDW-NSHDSACASA-N 3 0 276.344 -1.225 20 0 CAADRP O=C(Nc1cnn(C2C[NH2+]C2)c1)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1 ZINC001218641765 780177976 /nfs/dbraw/zinc/17/79/76/780177976.db2.gz UDBYNBHENMAEGE-KPXOXKRLSA-N 2 0 276.344 -1.084 20 0 CAADRP O=C(Nc1cnn(C2C[NH2+]C2)c1)[C@@H]1C[C@H](O)C[NH2+]1 ZINC001218639777 780178023 /nfs/dbraw/zinc/17/80/23/780178023.db2.gz BVPPLPQFWGWYJL-UWVGGRQHSA-N 2 0 251.290 -1.311 20 0 CAADRP O=C(Nc1cnn(C2C[NH2+]C2)c1)[C@@]12C[NH2+]C[C@@H]1CCN2 ZINC001218640957 780178122 /nfs/dbraw/zinc/17/81/22/780178122.db2.gz OJDIVMTUEQGJNO-TVQRCGJNSA-N 2 0 276.344 -1.083 20 0 CAADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)Nc1cn[nH]c(=O)c1 ZINC001218652623 780178200 /nfs/dbraw/zinc/17/82/00/780178200.db2.gz MFOXDDOSIFMLGP-SNVBAGLBSA-N 2 0 280.332 -1.129 20 0 CAADRP O=C(Nc1cnn(C2C[NH2+]C2)c1)[C@H]1[NH2+]CC[C@@H]1O ZINC001218641956 780178509 /nfs/dbraw/zinc/17/85/09/780178509.db2.gz ZGNGQTMHGIPXNC-UWVGGRQHSA-N 2 0 251.290 -1.311 20 0 CAADRP O=C(Nc1cnn(C2C[NH2+]C2)c1)[C@@]12C[NH2+]C[C@H]1CCN2 ZINC001218640955 780178907 /nfs/dbraw/zinc/17/89/07/780178907.db2.gz OJDIVMTUEQGJNO-NOZJJQNGSA-N 2 0 276.344 -1.083 20 0 CAADRP Nc1cn(C(=O)[C@H]2COC3(C[NH2+]C3)CN2)ccc1=[NH2+] ZINC001218692963 780180994 /nfs/dbraw/zinc/18/09/94/780180994.db2.gz ZRILZXLSKYPAPD-SNVBAGLBSA-N 2 0 263.301 -1.480 20 0 CAADRP CS(=O)(=O)N(CC[NH3+])CC(=O)n1ccc(=[NH2+])c(N)c1 ZINC001218692969 780181203 /nfs/dbraw/zinc/18/12/03/780181203.db2.gz HQCXPCAXGKZOPA-UHFFFAOYSA-N 2 0 287.345 -1.590 20 0 CAADRP CCOc1cc(N)n(C(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)c(=N)n1 ZINC001218681764 780181270 /nfs/dbraw/zinc/18/12/70/780181270.db2.gz ZKGNJPCISTWRAE-MRVPVSSYSA-N 2 0 292.343 -1.207 20 0 CAADRP NC(=O)c1cnoc1NC(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001218702470 780182644 /nfs/dbraw/zinc/18/26/44/780182644.db2.gz QTHIRTUULBXBKB-VIFPVBQESA-N 2 0 296.331 -1.538 20 0 CAADRP NC(=O)c1cnoc1NC(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001218702469 780182729 /nfs/dbraw/zinc/18/27/29/780182729.db2.gz QTHIRTUULBXBKB-SECBINFHSA-N 2 0 296.331 -1.538 20 0 CAADRP [NH3+]Cc1cncc(NC(=O)[C@H]2COC3(C[NH2+]C3)CN2)c1 ZINC001218703956 780182868 /nfs/dbraw/zinc/18/28/68/780182868.db2.gz KCIVIKZEQAPRMB-LLVKDONJSA-N 2 0 277.328 -1.191 20 0 CAADRP NC(=O)c1cnoc1NC(=O)[C@@H]([NH3+])CSCC[NH3+] ZINC001218702391 780183070 /nfs/dbraw/zinc/18/30/70/780183070.db2.gz PFJZRNXTOFZJAN-LURJTMIESA-N 2 0 273.318 -1.269 20 0 CAADRP CCN=c1ncc(N)cn1C(=O)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001218739788 780183154 /nfs/dbraw/zinc/18/31/54/780183154.db2.gz IRYVZGTXKGNVFH-SNVBAGLBSA-N 2 0 276.344 -1.165 20 0 CAADRP NS(=O)(=O)c1cncc(NC(=O)[C@H]([NH3+])CCC[NH3+])c1 ZINC001218751495 780183904 /nfs/dbraw/zinc/18/39/04/780183904.db2.gz ZPKPCNPKTKCFBV-SECBINFHSA-N 2 0 287.345 -1.266 20 0 CAADRP Cc1cnn(CCO)c1NC(=O)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001218754371 780183939 /nfs/dbraw/zinc/18/39/39/780183939.db2.gz OJAMLNFHGXGKKD-SNVBAGLBSA-N 2 0 279.344 -1.069 20 0 CAADRP Cc1cnn(CCO)c1NC(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001218754365 780184205 /nfs/dbraw/zinc/18/42/05/780184205.db2.gz OJAMLNFHGXGKKD-JTQLQIEISA-N 2 0 279.344 -1.069 20 0 CAADRP C[C@@H](O)[C@@H](CO)NC(=O)[C@@H]([NH3+])CCCC[NH+](C)C ZINC001219557960 780230381 /nfs/dbraw/zinc/23/03/81/780230381.db2.gz HGFHEFQTYRQGCD-OUAUKWLOSA-N 2 0 261.366 -1.097 20 0 CAADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)NCCn1ccnn1 ZINC001219565651 780231779 /nfs/dbraw/zinc/23/17/79/780231779.db2.gz LHOIMQYFUHKRDU-NSHDSACASA-N 2 0 281.364 -1.855 20 0 CAADRP O=C(NCCn1ccnn1)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001219566087 780232168 /nfs/dbraw/zinc/23/21/68/780232168.db2.gz SHDQKMFAROAGIO-ZYHUDNBSSA-N 2 0 264.333 -1.407 20 0 CAADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)NCCn1ccnc1 ZINC001219563724 780232331 /nfs/dbraw/zinc/23/23/31/780232331.db2.gz JSBJTRFEMDDPAD-GFCCVEGCSA-N 2 0 280.376 -1.250 20 0 CAADRP Cn1ccnc1CNC(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001219565937 780232341 /nfs/dbraw/zinc/23/23/41/780232341.db2.gz QHKOPPXVQOCENH-LLVKDONJSA-N 2 0 280.376 -1.213 20 0 CAADRP O=C(NCCn1ccnn1)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001219565384 780232534 /nfs/dbraw/zinc/23/25/34/780232534.db2.gz FGEJMOINUWZBEO-VIFPVBQESA-N 2 0 250.306 -1.797 20 0 CAADRP [NH3+][C@H](C(=O)NCCn1ccnn1)C1CC[NH2+]CC1 ZINC001219566326 780232555 /nfs/dbraw/zinc/23/25/55/780232555.db2.gz ZSUWCJAPAONCLC-JTQLQIEISA-N 2 0 252.322 -1.279 20 0 CAADRP O=C(CCNC(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2)N1CCOCC1 ZINC001219573199 780233356 /nfs/dbraw/zinc/23/33/56/780233356.db2.gz HPOZUHUNOWUTKH-NSHDSACASA-N 2 0 296.371 -1.840 20 0 CAADRP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC001219588573 780235306 /nfs/dbraw/zinc/23/53/06/780235306.db2.gz DMGMOKOWQIIXIV-XKNYDFJKSA-N 2 0 299.375 -2.050 20 0 CAADRP CS(=O)(=O)N(CC[NH3+])C(=O)C[C@@H]([NH3+])CCCC[NH3+] ZINC001219595554 780235319 /nfs/dbraw/zinc/23/53/19/780235319.db2.gz FQMNGYSRIKOYPT-VIFPVBQESA-N 3 0 280.394 -1.420 20 0 CAADRP CS(=O)(=O)N(CC[NH3+])C(=O)[C@@H](N)CCC[NH3+] ZINC001219593974 780235381 /nfs/dbraw/zinc/23/53/81/780235381.db2.gz SVEURVMJTHBRQX-ZETCQYMHSA-N 2 0 252.340 -2.201 20 0 CAADRP CS(=O)(=O)N(CC[NH3+])C(=O)[C@H]1COC2(C[NH2+]C2)CN1 ZINC001219593802 780235576 /nfs/dbraw/zinc/23/55/76/780235576.db2.gz KHJXLBCBFWOSES-MRVPVSSYSA-N 2 0 292.361 -2.936 20 0 CAADRP CS(=O)(=O)N(CC[NH3+])C(=O)[C@H](N)C1CC[NH2+]CC1 ZINC001219595652 780235601 /nfs/dbraw/zinc/23/56/01/780235601.db2.gz JSFFGVMQHRCIOF-SECBINFHSA-N 2 0 278.378 -1.940 20 0 CAADRP CS(=O)(=O)N(CC[NH3+])C(=O)[C@@]12C[NH2+]C[C@H]1CCN2 ZINC001219593920 780235608 /nfs/dbraw/zinc/23/56/08/780235608.db2.gz PVODTRIHEHLGTC-PSASIEDQSA-N 2 0 276.362 -2.315 20 0 CAADRP CS(=O)(=O)N(CC[NH3+])C(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1 ZINC001219593726 780235617 /nfs/dbraw/zinc/23/56/17/780235617.db2.gz GGHKDVGIIRFENB-XHNCKOQMSA-N 2 0 276.362 -2.317 20 0 CAADRP CS(=O)(=O)N(CC[NH3+])C(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001219593892 780235675 /nfs/dbraw/zinc/23/56/75/780235675.db2.gz ORDPYVGERRBSTL-MWLCHTKSSA-N 3 0 290.389 -2.068 20 0 CAADRP CS(=O)(=O)N(CC[NH3+])C(=O)[C@H]1[NH2+]CC[C@@H]1O ZINC001219595596 780235724 /nfs/dbraw/zinc/23/57/24/780235724.db2.gz HEZYGEOXQMDVOU-BQBZGAKWSA-N 2 0 251.308 -2.544 20 0 CAADRP CS(=O)(=O)N(CC[NH3+])C(=O)[C@H]1CC[NH2+]C[C@H]1F ZINC001219595874 780236482 /nfs/dbraw/zinc/23/64/82/780236482.db2.gz UMWWKTZJOVAJCY-JGVFFNPUSA-N 2 0 267.326 -1.319 20 0 CAADRP CS(=O)(=O)N(CC[NH3+])C(=O)[C@@H]1CC[NH2+]C[C@H]1F ZINC001219595873 780236572 /nfs/dbraw/zinc/23/65/72/780236572.db2.gz UMWWKTZJOVAJCY-HTQZYQBOSA-N 2 0 267.326 -1.319 20 0 CAADRP CS(=O)(=O)N(CC[NH3+])C(=O)[C@@H]1C[NH2+]C[C@H]1O ZINC001219595848 780236576 /nfs/dbraw/zinc/23/65/76/780236576.db2.gz SRPISNWRIUPOEE-RNFRBKRXSA-N 2 0 251.308 -2.686 20 0 CAADRP O=C(N[C@@]1(C(F)(F)F)CC[NH2+]C1)[C@@H]1C[NH2+]CCN1 ZINC001219610000 780236657 /nfs/dbraw/zinc/23/66/57/780236657.db2.gz JGDSCXTXPLVLQY-CBAPKCEASA-N 2 0 266.267 -1.042 20 0 CAADRP CS(=O)(=O)N(CC[NH3+])C(=O)[C@@H]1C[C@@H]([NH3+])CN1 ZINC001219595922 780236689 /nfs/dbraw/zinc/23/66/89/780236689.db2.gz WGJFLLAAQMCYNL-RQJHMYQMSA-N 2 0 250.324 -2.578 20 0 CAADRP CS(=O)(=O)N(CC[NH3+])C(=O)CN1CC[NH2+]CC1 ZINC001219595867 780236749 /nfs/dbraw/zinc/23/67/49/780236749.db2.gz UDDUXFJVKDLFKD-UHFFFAOYSA-N 2 0 264.351 -2.362 20 0 CAADRP CS(=O)(=O)N(CC[NH3+])C(=O)[C@H]1C[NH2+]C[C@@H]1O ZINC001219595846 780236875 /nfs/dbraw/zinc/23/68/75/780236875.db2.gz SRPISNWRIUPOEE-BQBZGAKWSA-N 2 0 251.308 -2.686 20 0 CAADRP CS(=O)(=O)N(CC[NH3+])C(=O)[C@H]1CC[NH2+]C[C@@H]1F ZINC001219595876 780237102 /nfs/dbraw/zinc/23/71/02/780237102.db2.gz UMWWKTZJOVAJCY-YUMQZZPRSA-N 2 0 267.326 -1.319 20 0 CAADRP CS(=O)(=O)CCNC(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001219608501 780238065 /nfs/dbraw/zinc/23/80/65/780238065.db2.gz XVTXYKBAUOLZAP-MWLCHTKSSA-N 2 0 275.374 -1.654 20 0 CAADRP CS(=O)(=O)CCNC(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001219608402 780238148 /nfs/dbraw/zinc/23/81/48/780238148.db2.gz WQCHWXDNWGWXCR-QMMMGPOBSA-N 2 0 251.352 -1.397 20 0 CAADRP Cn1cncc1C[C@H]([NH3+])C(=O)NC[C@]1(O)CC[NH2+]C[C@@H]1F ZINC001219615592 780238796 /nfs/dbraw/zinc/23/87/96/780238796.db2.gz BPAAYIRKAOZAEX-GMXVVIOVSA-N 2 0 299.350 -1.531 20 0 CAADRP O=C(N[C@]1(C(F)(F)F)CC[NH2+]C1)[C@@H]1C[NH2+]C[C@H]1O ZINC001219609928 780238835 /nfs/dbraw/zinc/23/88/35/780238835.db2.gz ICGLTADKIJQGPJ-ZXFLCMHBSA-N 2 0 267.251 -1.023 20 0 CAADRP [NH3+][C@H](Cc1cnc[nH]1)C(=O)NC[C@]1(O)CC[NH2+]C[C@@H]1F ZINC001219616062 780238874 /nfs/dbraw/zinc/23/88/74/780238874.db2.gz NOCHTBQDMVGURN-JFGNBEQYSA-N 2 0 285.323 -1.542 20 0 CAADRP CN(CC(=O)NC[C@]1(O)CC[NH2+]C[C@@H]1F)C(N)=[NH2+] ZINC001219617306 780239311 /nfs/dbraw/zinc/23/93/11/780239311.db2.gz JYBKCPRNHXNVPW-OIBJUYFYSA-N 2 0 261.301 -2.010 20 0 CAADRP O=C(NC[C@]1(O)CC[NH2+]C[C@@H]1F)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC001219618175 780239386 /nfs/dbraw/zinc/23/93/86/780239386.db2.gz XINLEXKONZOYGA-KUNJHIDRSA-N 2 0 257.309 -1.370 20 0 CAADRP O=C(NC[C@]1(O)CC[NH2+]C[C@@H]1F)[C@@H]1C[NH2+]CC[C@@H]1O ZINC001219617922 780239608 /nfs/dbraw/zinc/23/96/08/780239608.db2.gz QZGSFHONMCVORX-FYLLDIAZSA-N 2 0 275.324 -1.865 20 0 CAADRP O=C(NC[C@]1(O)CC[NH2+]C[C@@H]1F)[C@]12C[NH2+]C[C@H]1COC2 ZINC001219616787 780239683 /nfs/dbraw/zinc/23/96/83/780239683.db2.gz DDCNMEPVJXXUJV-XRRVDJEJSA-N 2 0 287.335 -1.599 20 0 CAADRP O=C(NC[C@]1(O)CC[NH2+]C[C@@H]1F)[C@@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC001219618176 780239704 /nfs/dbraw/zinc/23/97/04/780239704.db2.gz XINLEXKONZOYGA-YXZBHFDYSA-N 2 0 257.309 -1.370 20 0 CAADRP NC(=O)CC[C@H]([NH3+])CC(=O)NC[C@]1(O)CC[NH2+]C[C@@H]1F ZINC001219619397 780239809 /nfs/dbraw/zinc/23/98/09/780239809.db2.gz GXBCUCCHOYFWIS-HOTUBEGUSA-N 2 0 290.339 -1.852 20 0 CAADRP C[C@]1(C(=O)NC[C@]2(O)CC[NH2+]C[C@@H]2F)CC[NH2+]C[C@@H]1O ZINC001219617759 780239924 /nfs/dbraw/zinc/23/99/24/780239924.db2.gz OXCPYXUZKJQKMD-XRRVDJEJSA-N 2 0 289.351 -1.474 20 0 CAADRP O=C(NC[C@]1(O)CC[NH2+]C[C@@H]1F)[C@@]12C[NH2+][C@@H](CO1)C2 ZINC001219617330 780239965 /nfs/dbraw/zinc/23/99/65/780239965.db2.gz KJSORTPQESPIQV-RBLKWDMZSA-N 2 0 273.308 -1.704 20 0 CAADRP O=C(NC[C@]1(O)CC[NH2+]C[C@@H]1F)[C@H]1C[NH2+][C@@H]2CCO[C@@H]21 ZINC001219617919 780240117 /nfs/dbraw/zinc/24/01/17/780240117.db2.gz QQLDRRQWMZEESO-VLLVSFFDSA-N 2 0 287.335 -1.458 20 0 CAADRP [NH3+]CCNC(=O)/C=C/C(=O)NC[C@]1(O)CC[NH2+]C[C@@H]1F ZINC001219616525 780240497 /nfs/dbraw/zinc/24/04/97/780240497.db2.gz AEBFTOAKMVRVMS-QBVKLBROSA-N 2 0 288.323 -2.204 20 0 CAADRP O=C(NC[C@]1(O)CC[NH2+]C[C@@H]1F)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1 ZINC001219618150 780240506 /nfs/dbraw/zinc/24/05/06/780240506.db2.gz WPJASEYVAJBOFZ-XPORZQOISA-N 2 0 286.351 -1.885 20 0 CAADRP [NH3+]CC(=O)NCC(=O)NC[C@]1(O)CC[NH2+]C[C@@H]1F ZINC001219617337 780240629 /nfs/dbraw/zinc/24/06/29/780240629.db2.gz KQJONWASFOUGTF-OIBJUYFYSA-N 2 0 262.285 -2.760 20 0 CAADRP [NH3+][C@@H]1CN[C@H](C(=O)NC[C@]2(O)CC[NH2+]C[C@@H]2F)C1 ZINC001219621964 780240990 /nfs/dbraw/zinc/24/09/90/780240990.db2.gz LFUDWDGXIGYDIC-FTYOSLGDSA-N 2 0 260.313 -2.146 20 0 CAADRP O=C(NC[C@]1(O)CC[NH2+]C[C@@H]1F)[C@H]1C[NH2+]CCC1=O ZINC001219620297 780241141 /nfs/dbraw/zinc/24/11/41/780241141.db2.gz ZJHHWGCRGRYRME-PTOFAABTSA-N 2 0 273.308 -1.656 20 0 CAADRP [NH3+]C1(C(=O)NC[C@]2(O)CC[NH2+]C[C@@H]2F)CC(F)C1 ZINC001219622695 780241554 /nfs/dbraw/zinc/24/15/54/780241554.db2.gz ZOXXYGVHWJZDQN-XTOMKMBESA-N 2 0 263.288 -1.006 20 0 CAADRP CO[C@H]1CC[NH2+][C@H](C(=O)NC[C@]2(O)CC[NH2+]C[C@@H]2F)C1 ZINC001219622671 780241609 /nfs/dbraw/zinc/24/16/09/780241609.db2.gz YLJWBEPBDCJGDX-MRBYEJRBSA-N 2 0 289.351 -1.068 20 0 CAADRP O=C(NC[C@]1(O)CC[NH2+]C[C@@H]1F)[C@@H]1C[NH2+]CCN1 ZINC001219622324 780241897 /nfs/dbraw/zinc/24/18/97/780241897.db2.gz RJJMCWMHWGJYQU-ATZCPNFKSA-N 2 0 260.313 -2.274 20 0 CAADRP CN1CC[N@H+](C)C[C@H]1C(=O)NC[C@]1(O)CC[NH2+]C[C@@H]1F ZINC001219622679 780241932 /nfs/dbraw/zinc/24/19/32/780241932.db2.gz YTRGNKGAEYWHKS-GMXVVIOVSA-N 2 0 288.367 -1.589 20 0 CAADRP [NH3+]CCSC[C@H]([NH3+])C(=O)N[C@H]1C=CS(=O)(=O)C1 ZINC001219945579 780279840 /nfs/dbraw/zinc/27/98/40/780279840.db2.gz NHESESYNSITZSH-YUMQZZPRSA-N 2 0 279.387 -1.568 20 0 CAADRP O=C(NC[C@]1(O)CC[NH2+]C[C@@H]1F)[C@H]1[NH2+]CC[C@H]1O ZINC001219621785 780242034 /nfs/dbraw/zinc/24/20/34/780242034.db2.gz HXHSUGSMTMRFOM-UYAYMFIHSA-N 2 0 261.297 -2.112 20 0 CAADRP CO[C@@H]1CC[NH2+][C@H](C(=O)NC[C@]2(O)CC[NH2+]C[C@@H]2F)C1 ZINC001219622670 780242271 /nfs/dbraw/zinc/24/22/71/780242271.db2.gz YLJWBEPBDCJGDX-MPPDQPJWSA-N 2 0 289.351 -1.068 20 0 CAADRP O=C(NC[C@]1(O)CC[NH2+]C[C@@H]1F)[C@H]1C[NH2+]CCN1 ZINC001219619921 780242290 /nfs/dbraw/zinc/24/22/90/780242290.db2.gz RJJMCWMHWGJYQU-WCABBAIRSA-N 2 0 260.313 -2.274 20 0 CAADRP O=C(NC[C@]1(O)CC[NH2+]C[C@@H]1F)c1[nH]nc2c1C[NH2+]CC2 ZINC001219627797 780242799 /nfs/dbraw/zinc/24/27/99/780242799.db2.gz HOFGRPMZCNWYHB-GXFFZTMASA-N 2 0 297.334 -1.152 20 0 CAADRP O=C(NC[C@@H]1C[C@H](F)C[NH2+]1)[C@]12C[NH2+]C[C@H]1CCN2 ZINC001219635354 780242873 /nfs/dbraw/zinc/24/28/73/780242873.db2.gz BYBUKFNPIZOZRM-WDCWCFNPSA-N 2 0 256.325 -1.246 20 0 CAADRP O=C(NC[C@@H]1C[C@H](F)C[NH2+]1)[C@]12C[NH2+]C[C@@H]1CCN2 ZINC001219635352 780243036 /nfs/dbraw/zinc/24/30/36/780243036.db2.gz BYBUKFNPIZOZRM-GMOBBJLQSA-N 2 0 256.325 -1.246 20 0 CAADRP O=C(NC[C@@H]1C[C@H](F)C[NH2+]1)[C@@]12C[NH2+]C[C@H]1CCN2 ZINC001219635351 780243124 /nfs/dbraw/zinc/24/31/24/780243124.db2.gz BYBUKFNPIZOZRM-FYLLDIAZSA-N 2 0 256.325 -1.246 20 0 CAADRP O=C(NCCN1CCCCO1)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001219632290 780243320 /nfs/dbraw/zinc/24/33/20/780243320.db2.gz JZDVMLMTITZCLU-LLVKDONJSA-N 2 0 268.361 -1.061 20 0 CAADRP O=C(NC[C@@H]1C[C@H](F)C[NH2+]1)[C@@]12C[NH2+]C[C@@H]1CCN2 ZINC001219635353 780243369 /nfs/dbraw/zinc/24/33/69/780243369.db2.gz BYBUKFNPIZOZRM-QFOLPQNPSA-N 2 0 256.325 -1.246 20 0 CAADRP CS(=O)(=O)N(CC[NH3+])CC(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC001219635829 780243636 /nfs/dbraw/zinc/24/36/36/780243636.db2.gz RESYYHZPJGXBHH-IUCAKERBSA-N 2 0 296.368 -1.977 20 0 CAADRP Cn1cnc(CCNC(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)c1 ZINC001219632475 780243694 /nfs/dbraw/zinc/24/36/94/780243694.db2.gz NNUPVGMGZDOLLZ-LLVKDONJSA-N 2 0 263.345 -1.112 20 0 CAADRP [NH3+][C@@H](C(=O)N[C@H]1CCS(=O)(=O)C1)C1CC[NH2+]CC1 ZINC001219671664 780245178 /nfs/dbraw/zinc/24/51/78/780245178.db2.gz NLQOPAWYEIAXSM-VHSXEESVSA-N 2 0 275.374 -1.383 20 0 CAADRP C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)NC[C@H]1C[NH2+]C[C@@H](C)C1 ZINC001219650757 780245189 /nfs/dbraw/zinc/24/51/89/780245189.db2.gz QQJKUXONLYYQKN-MMWGEVLESA-N 2 0 286.376 -1.828 20 0 CAADRP [NH3+][C@H](C(=O)N[C@@H]1CCS(=O)(=O)C1)C1CC[NH2+]CC1 ZINC001219671665 780245201 /nfs/dbraw/zinc/24/52/01/780245201.db2.gz NLQOPAWYEIAXSM-ZJUUUORDSA-N 2 0 275.374 -1.383 20 0 CAADRP C[C@@H]1C[NH2+]C[C@H](CNC(=O)[C@H]2COC3(C[NH2+]C3)CN2)C1 ZINC001219641910 780245348 /nfs/dbraw/zinc/24/53/48/780245348.db2.gz MPWRZSGMDFWYQS-QJPTWQEYSA-N 2 0 282.388 -1.321 20 0 CAADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC001219638585 780245442 /nfs/dbraw/zinc/24/54/42/780245442.db2.gz NLTXATWSZYJADW-ZMLRMANQSA-N 3 0 287.383 -1.447 20 0 CAADRP C[C@@H]1C[NH2+]C[C@H](CNC(=O)/C=C/C(=O)NCC[NH3+])C1 ZINC001219641885 780245888 /nfs/dbraw/zinc/24/58/88/780245888.db2.gz MMAVTTOBVHZDRV-ZROCKMJXSA-N 2 0 268.361 -1.021 20 0 CAADRP O=C(N[C@@H]1CCS(=O)(=O)C1)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001219671697 780245978 /nfs/dbraw/zinc/24/59/78/780245978.db2.gz OGFCBNWHWAENRE-RKDXNWHRSA-N 2 0 273.358 -1.901 20 0 CAADRP [NH3+][C@@H](C(=O)N[C@@H]1CCS(=O)(=O)C1)C1CC[NH2+]CC1 ZINC001219671662 780246035 /nfs/dbraw/zinc/24/60/35/780246035.db2.gz NLQOPAWYEIAXSM-NXEZZACHSA-N 2 0 275.374 -1.383 20 0 CAADRP O=C(N[C@@H]1CCS(=O)(=O)C1)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001219671694 780247108 /nfs/dbraw/zinc/24/71/08/780247108.db2.gz OGFCBNWHWAENRE-BDAKNGLRSA-N 2 0 273.358 -1.901 20 0 CAADRP O=C(N[C@H]1CCS(=O)(=O)C1)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001219671695 780247313 /nfs/dbraw/zinc/24/73/13/780247313.db2.gz OGFCBNWHWAENRE-DTWKUNHWSA-N 2 0 273.358 -1.901 20 0 CAADRP C[C@@H]1C[C@@H](CNC(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)C[NH2+]1 ZINC001219684775 780248055 /nfs/dbraw/zinc/24/80/55/780248055.db2.gz RXAJVHJEARJKCB-WZRBSPASSA-N 3 0 283.420 -1.149 20 0 CAADRP CCOC(=O)CCNC(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001219693098 780248091 /nfs/dbraw/zinc/24/80/91/780248091.db2.gz NMWQYKVDCHMOMP-NSHDSACASA-N 2 0 286.376 -1.194 20 0 CAADRP NC(=O)C1(NC(=O)[C@H]2CCC3(CC[NH2+]CC3)[NH2+]2)CC1 ZINC001219683043 780248195 /nfs/dbraw/zinc/24/81/95/780248195.db2.gz SZDLOSGSCBXOMT-SECBINFHSA-N 2 0 266.345 -1.005 20 0 CAADRP C[C@@H]1C[C@@H](CNC(=O)[C@H]([NH3+])CCCNC(N)=O)C[NH2+]1 ZINC001219684532 780248634 /nfs/dbraw/zinc/24/86/34/780248634.db2.gz PEHVNFRLLQWSSS-OPRDCNLKSA-N 2 0 271.365 -1.124 20 0 CAADRP C[C@@H]1C[C@@H](CNC(=O)CN(CC[NH3+])S(C)(=O)=O)C[NH2+]1 ZINC001219683861 780248940 /nfs/dbraw/zinc/24/89/40/780248940.db2.gz GJXJFNGEFSIHPT-NXEZZACHSA-N 2 0 292.405 -1.679 20 0 CAADRP CN(C(=O)CCNC(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2)C1CC1 ZINC001219692703 780249288 /nfs/dbraw/zinc/24/92/88/780249288.db2.gz FMVMQEGFCIQSHU-NSHDSACASA-N 2 0 280.372 -1.078 20 0 CAADRP O=C(NCCC1(O)C[NH2+]C1)[C@@H]1CCCN([C@@H]2CC[NH2+]C2)C1 ZINC001219697915 780249814 /nfs/dbraw/zinc/24/98/14/780249814.db2.gz ZZBAAPNPGOOKPP-CHWSQXEVSA-N 2 0 296.415 -1.099 20 0 CAADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)NCCC1(O)C[NH2+]C1 ZINC001219696182 780249841 /nfs/dbraw/zinc/24/98/41/780249841.db2.gz BIHUGYSZAZUWTO-JTQLQIEISA-N 3 0 258.366 -1.456 20 0 CAADRP [NH3+]CCSC[C@H]([NH3+])C(=O)NCCC1(O)C[NH2+]C1 ZINC001219697626 780249992 /nfs/dbraw/zinc/24/99/92/780249992.db2.gz VXKNGPCECVIBDZ-QMMMGPOBSA-N 3 0 262.379 -2.154 20 0 CAADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)NCCC1(O)C[NH2+]C1 ZINC001219697032 780250030 /nfs/dbraw/zinc/25/00/30/780250030.db2.gz PAOQXEZAMNOBNW-LLVKDONJSA-N 3 0 285.392 -2.423 20 0 CAADRP O=C(NCCC1(O)C[NH2+]C1)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1 ZINC001219697289 780250041 /nfs/dbraw/zinc/25/00/41/780250041.db2.gz QRZAUUUVYMCEDD-LPEHRKFASA-N 2 0 254.334 -2.223 20 0 CAADRP O=C(NCCC1(O)C[NH2+]C1)[C@H]1COC2(C[NH2+]C2)CN1 ZINC001219697894 780250052 /nfs/dbraw/zinc/25/00/52/780250052.db2.gz ZTSBDORCFSYUBE-SECBINFHSA-N 2 0 270.333 -2.843 20 0 CAADRP CC(C)C[C@H](NC(=O)C[NH3+])C(=O)NCCC1(O)C[NH2+]C1 ZINC001219697290 780250261 /nfs/dbraw/zinc/25/02/61/780250261.db2.gz QTFWRDSQBUALET-JTQLQIEISA-N 2 0 286.376 -1.683 20 0 CAADRP CN1CCO[C@H](CNC(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)C1 ZINC001219695471 780250364 /nfs/dbraw/zinc/25/03/64/780250364.db2.gz USTZOBWWOZKJSR-MNOVXSKESA-N 2 0 268.361 -1.758 20 0 CAADRP [NH3+][C@H](C(=O)NCCC1(O)C[NH2+]C1)C1CCC(O)CC1 ZINC001219697909 780250548 /nfs/dbraw/zinc/25/05/48/780250548.db2.gz ZXSWFKGBBSGWBV-ILDUYXDCSA-N 2 0 271.361 -1.295 20 0 CAADRP O=C(NCCC1(O)C[NH2+]C1)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001219697607 780250684 /nfs/dbraw/zinc/25/06/84/780250684.db2.gz VFIAHBVKMQXHNK-LLVKDONJSA-N 3 0 282.388 -1.299 20 0 CAADRP O=C(NCCC1(O)C[NH2+]C1)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001219696490 780250941 /nfs/dbraw/zinc/25/09/41/780250941.db2.gz JQOBZQPZJBLEGF-ZWNOBZJWSA-N 3 0 268.361 -1.974 20 0 CAADRP O=C(NCCC1(O)C[NH2+]C1)[C@@]12C[NH2+]C[C@H]1CCN2 ZINC001219696199 780250994 /nfs/dbraw/zinc/25/09/94/780250994.db2.gz CCJDNQSHZDXRIE-BXKDBHETSA-N 2 0 254.334 -2.222 20 0 CAADRP CC(C)(CNC(=O)[C@@H]([NH3+])C1CC[NH2+]CC1)C(N)=O ZINC001220034156 780295642 /nfs/dbraw/zinc/29/56/42/780295642.db2.gz VQEQCBXACSKAEF-VIFPVBQESA-N 2 0 256.350 -1.059 20 0 CAADRP CS(=O)(=O)N(CC[NH3+])CC(=O)N[C@@H]1C[NH2+]C[C@H]1O ZINC001219714735 780251539 /nfs/dbraw/zinc/25/15/39/780251539.db2.gz WTNMNWSTZGHCMM-HTQZYQBOSA-N 2 0 280.350 -3.344 20 0 CAADRP [NH3+][C@@H](Cc1c[nH]c2ncccc12)C(=O)N[C@@H]1C[NH2+]C[C@H]1O ZINC001219714169 780251545 /nfs/dbraw/zinc/25/15/45/780251545.db2.gz GJCCRFQJSYUOHL-QJPTWQEYSA-N 2 0 289.339 -1.118 20 0 CAADRP CC(C)[NH2+]CCCC[C@H]([NH3+])C(=O)N[C@@H]1C[NH2+]C[C@H]1O ZINC001219714829 780251560 /nfs/dbraw/zinc/25/15/60/780251560.db2.gz ZMOZCNBXXGWLQZ-QJPTWQEYSA-N 3 0 272.393 -1.069 20 0 CAADRP O=C(N[C@@H]1C[NH2+]C[C@H]1O)[C@@H]1CO[C@]2(C1)CCC[NH2+]CC2 ZINC001219712823 780251580 /nfs/dbraw/zinc/25/15/80/780251580.db2.gz XFXZCJZYKDIMCJ-FMCLSXCISA-N 2 0 283.372 -1.016 20 0 CAADRP [NH3+][C@@H](Cc1cccc(O)c1)C(=O)N[C@@H]1C[NH2+]C[C@H]1O ZINC001219712523 780251625 /nfs/dbraw/zinc/25/16/25/780251625.db2.gz QEHRWSLQRNBGHZ-QJPTWQEYSA-N 2 0 265.313 -1.289 20 0 CAADRP CC[C@H](C)[C@H]([NH3+])C(=O)NCC(=O)N[C@@H]1C[NH2+]C[C@H]1O ZINC001219714480 780251830 /nfs/dbraw/zinc/25/18/30/780251830.db2.gz MENHADKEHGHZOJ-SJQPAMGKSA-N 2 0 272.349 -2.075 20 0 CAADRP O=C(N[C@@H]1C[NH2+]C[C@H]1O)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001219712791 780251860 /nfs/dbraw/zinc/25/18/60/780251860.db2.gz WPXZKGMBWIEWLL-HBNTYKKESA-N 3 0 268.361 -1.691 20 0 CAADRP Nc1nc(=O)[nH]cc1NC(=O)[C@@H]([NH3+])CSCC[NH3+] ZINC001219701981 780251882 /nfs/dbraw/zinc/25/18/82/780251882.db2.gz UXHUZUHULVIPPL-YFKPBYRVSA-N 2 0 272.334 -1.278 20 0 CAADRP O=C(N[C@@H]1C[NH2+]C[C@H]1O)[C@H]1CCCN([C@@H]2CC[NH2+]C2)C1 ZINC001219714140 780251977 /nfs/dbraw/zinc/25/19/77/780251977.db2.gz FEDTYDIIHNSLBP-UMSGYPCISA-N 2 0 282.388 -1.491 20 0 CAADRP C[NH+](C)CCCC[C@H]([NH3+])C(=O)N[C@@H]1C[NH2+]C[C@H]1O ZINC001219712600 780252024 /nfs/dbraw/zinc/25/20/24/780252024.db2.gz RFXMWLXAYFUMMQ-HBNTYKKESA-N 3 0 258.366 -1.506 20 0 CAADRP CC(C)(C)OC(=O)CC[C@@H]([NH3+])C(=O)N[C@@H]1C[NH2+]C[C@H]1O ZINC001219714157 780252052 /nfs/dbraw/zinc/25/20/52/780252052.db2.gz FXYFOZPULHMNQW-OPRDCNLKSA-N 2 0 287.360 -1.116 20 0 CAADRP CC(C)(C)OC[C@H]([NH3+])CC(=O)N[C@@H]1C[NH2+]C[C@H]1O ZINC001219712453 780252510 /nfs/dbraw/zinc/25/25/10/780252510.db2.gz PGTPBZWBALMLAT-OPRDCNLKSA-N 2 0 259.350 -1.032 20 0 CAADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)N[C@@H]1C[NH2+]C[C@H]1O ZINC001219714759 780252580 /nfs/dbraw/zinc/25/25/80/780252580.db2.gz XHTNTYYSZLSQHK-HBNTYKKESA-N 3 0 271.365 -2.814 20 0 CAADRP O=C(N[C@@H]1C[NH2+]C[C@H]1O)[C@H]1CCCN([C@H]2CC[NH2+]C2)C1 ZINC001219714141 780252603 /nfs/dbraw/zinc/25/26/03/780252603.db2.gz FEDTYDIIHNSLBP-WUHRBBMRSA-N 2 0 282.388 -1.491 20 0 CAADRP O=C(N[C@@H]1C[NH2+]C[C@H]1O)[C@H]1COC2(C[NH2+]C2)CN1 ZINC001219712378 780252618 /nfs/dbraw/zinc/25/26/18/780252618.db2.gz OFGAOEDVCMLAQS-IWSPIJDZSA-N 2 0 256.306 -3.234 20 0 CAADRP CS(=O)(=O)N(CC[NH3+])CC(=O)N[C@@H]1COC[C@@H]1[NH3+] ZINC001219720904 780253443 /nfs/dbraw/zinc/25/34/43/780253443.db2.gz UYFVVYAIZSYDRJ-JGVFFNPUSA-N 2 0 280.350 -2.951 20 0 CAADRP N[C@@]1(C(=O)NC[C@H]2CC3(C[NH2+]C3)CO2)CCC[NH2+]C1 ZINC001219737323 780253469 /nfs/dbraw/zinc/25/34/69/780253469.db2.gz SVQVFMDAZUQHDM-MFKMUULPSA-N 2 0 268.361 -1.438 20 0 CAADRP CC(C)C[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H]1COC[C@@H]1[NH3+] ZINC001219720074 780253647 /nfs/dbraw/zinc/25/36/47/780253647.db2.gz FZQIMGQUSSWBQZ-XWLWVQCSSA-N 2 0 286.376 -1.293 20 0 CAADRP C[NH+](C)CCCC[C@H]([NH3+])C(=O)N[C@@H]1COC[C@@H]1[NH3+] ZINC001219720830 780253854 /nfs/dbraw/zinc/25/38/54/780253854.db2.gz SFAAILXUOSWTEC-GARJFASQSA-N 3 0 258.366 -1.112 20 0 CAADRP [NH3+][C@H]1COC[C@H]1NC(=O)[C@H]1COC2(C[NH2+]C2)CN1 ZINC001219720852 780254063 /nfs/dbraw/zinc/25/40/63/780254063.db2.gz SUKFDAUBHKLBQL-DJLDLDEBSA-N 2 0 256.306 -2.841 20 0 CAADRP Cn1cncc1C[C@H]([NH3+])C(=O)N[C@@H]1COC[C@@H]1[NH3+] ZINC001219720913 780254260 /nfs/dbraw/zinc/25/42/60/780254260.db2.gz VJMXNDDGOSUIQY-LPEHRKFASA-N 2 0 253.306 -1.868 20 0 CAADRP [NH3+]CCSC[C@H]([NH3+])C(=O)NC[C@H]1CC2(C[NH2+]C2)CO1 ZINC001219739436 780254865 /nfs/dbraw/zinc/25/48/65/780254865.db2.gz OHLVTRKXELRONM-ZJUUUORDSA-N 3 0 288.417 -1.500 20 0 CAADRP [NH3+]CCNCC(=O)NC[C@@H]1CCC2(CC[NH2+]CC2)O1 ZINC001219743498 780254876 /nfs/dbraw/zinc/25/48/76/780254876.db2.gz FQFGWXILCMZAQZ-NSHDSACASA-N 2 0 270.377 -1.048 20 0 CAADRP [NH3+]CCSC[C@H]([NH3+])C(=O)NC[C@@H]1CC2(C[NH2+]C2)CO1 ZINC001219739435 780254886 /nfs/dbraw/zinc/25/48/86/780254886.db2.gz OHLVTRKXELRONM-UWVGGRQHSA-N 3 0 288.417 -1.500 20 0 CAADRP Nc1nc(=O)c(F)cn1C(=O)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001219741948 780254938 /nfs/dbraw/zinc/25/49/38/780254938.db2.gz YJZAHPGZCIQPOV-ZCFIWIBFSA-N 2 0 267.264 -1.344 20 0 CAADRP O=C(NC[C@@H]1CC2(C[NH2+]C2)CO1)[C@@]12C[NH2+]C[C@@H]1CCN2 ZINC001219737275 780255067 /nfs/dbraw/zinc/25/50/67/780255067.db2.gz RUPKCBQVZRMEOA-COPLHBTASA-N 2 0 280.372 -1.567 20 0 CAADRP NC(=O)NCCC[C@@H]([NH3+])C(=O)NC[C@@H]1CC2(C[NH2+]C2)CO1 ZINC001219737534 780255080 /nfs/dbraw/zinc/25/50/80/780255080.db2.gz YNALUCZRZQKDTE-VHSXEESVSA-N 2 0 299.375 -1.743 20 0 CAADRP [NH3+][C@@H](C(=O)NC[C@@H]1CC2(C[NH2+]C2)CO1)C1CC[NH2+]CC1 ZINC001219737090 780255277 /nfs/dbraw/zinc/25/52/77/780255277.db2.gz OLMSXVIFSFBUPB-NWDGAFQWSA-N 3 0 282.388 -1.192 20 0 CAADRP NC1(C(=O)NC[C@@H]2CC3(C[NH2+]C3)CO2)CC[NH2+]CC1 ZINC001219737041 780255305 /nfs/dbraw/zinc/25/53/05/780255305.db2.gz NKZMRPWIVKTNDF-JTQLQIEISA-N 2 0 268.361 -1.438 20 0 CAADRP N[C@@]1(C(=O)NC[C@H]2CC3(C[NH2+]C3)CO2)CC[NH2+]C1 ZINC001219737138 780255444 /nfs/dbraw/zinc/25/54/44/780255444.db2.gz PJSYRPSYKBINJK-SKDRFNHKSA-N 2 0 254.334 -1.828 20 0 CAADRP O=C(NC[C@@H]1CC2(C[NH2+]C2)CO1)[C@@H]1COC2(C[NH2+]C2)CN1 ZINC001219736747 780255456 /nfs/dbraw/zinc/25/54/56/780255456.db2.gz GMNAQMWPRYDPHE-QWRGUYRKSA-N 2 0 296.371 -2.189 20 0 CAADRP O=C(NC[C@@H]1CC2(C[NH2+]C2)CO1)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1 ZINC001219736921 780255472 /nfs/dbraw/zinc/25/54/72/780255472.db2.gz LAWJJPMOJHKVBV-FIQHERPVSA-N 2 0 280.372 -1.569 20 0 CAADRP O=C(NC[C@H]1CC2(C[NH2+]C2)CO1)[C@H]1C[C@@H](O)C[NH2+]1 ZINC001219737010 780255487 /nfs/dbraw/zinc/25/54/87/780255487.db2.gz MRECPNGNSNTUPV-OPRDCNLKSA-N 2 0 255.318 -1.796 20 0 CAADRP N[C@]1(C(=O)NC[C@@H]2CC3(C[NH2+]C3)CO2)CC[NH2+]C1 ZINC001219737137 780255504 /nfs/dbraw/zinc/25/55/04/780255504.db2.gz PJSYRPSYKBINJK-JOYOIKCWSA-N 2 0 254.334 -1.828 20 0 CAADRP O=C(NC[C@H]1CC2(C[NH2+]C2)CO1)[C@@H]1COC2(C[NH2+]C2)CN1 ZINC001219736746 780255683 /nfs/dbraw/zinc/25/56/83/780255683.db2.gz GMNAQMWPRYDPHE-MNOVXSKESA-N 2 0 296.371 -2.189 20 0 CAADRP O=C(NC[C@@H]1CC2(C[NH2+]C2)CO1)[C@@H]1C[NH2+]C[C@@H]1O ZINC001219737529 780255799 /nfs/dbraw/zinc/25/57/99/780255799.db2.gz YKSWFNFGSJKELL-AEJSXWLSSA-N 2 0 255.318 -1.939 20 0 CAADRP Cn1cncc1C[C@H]([NH3+])C(=O)NC[C@H]1CC2(C[NH2+]C2)CO1 ZINC001219737085 780255965 /nfs/dbraw/zinc/25/59/65/780255965.db2.gz OLBQACUGMCDGQH-NEPJUHHUSA-N 2 0 293.371 -1.215 20 0 CAADRP N[C@@]1(C(=O)NCc2nnc3n2CCC[NH2+]C3)CC[NH2+]C1 ZINC001219750282 780256538 /nfs/dbraw/zinc/25/65/38/780256538.db2.gz ZWWRMYVWVYOMJD-LBPRGKRZSA-N 2 0 279.348 -1.922 20 0 CAADRP [NH3+]CCCC[C@H]([NH3+])C(=O)NCc1nnc2n1CCC[NH2+]C2 ZINC001219750259 780256748 /nfs/dbraw/zinc/25/67/48/780256748.db2.gz ZHNXTDTWRWKWJN-JTQLQIEISA-N 3 0 295.391 -1.156 20 0 CAADRP O=C(NCc1nnc2n1CCC[NH2+]C2)[C@H]1C[NH2+]C[C@@H]1O ZINC001219749216 780256801 /nfs/dbraw/zinc/25/68/01/780256801.db2.gz KGGWLKMTRKOZBE-IUCAKERBSA-N 2 0 280.332 -2.032 20 0 CAADRP O=C(NCc1nnc2n1CCC[NH2+]C2)[C@H]1[NH2+]CC[C@@H]1O ZINC001219750009 780256844 /nfs/dbraw/zinc/25/68/44/780256844.db2.gz UGTRDVRUHKKDFK-KWQFWETISA-N 2 0 280.332 -1.890 20 0 CAADRP N[C@]1(C(=O)NCc2nnc3n2CCC[NH2+]C3)CC[NH2+]C1 ZINC001219750281 780256997 /nfs/dbraw/zinc/25/69/97/780256997.db2.gz ZWWRMYVWVYOMJD-GFCCVEGCSA-N 2 0 279.348 -1.922 20 0 CAADRP O=C(NCc1nnc2n1CCC[NH2+]C2)[C@@H]1C[NH2+]CCN1 ZINC001219749732 780257071 /nfs/dbraw/zinc/25/70/71/780257071.db2.gz QIUFLSRFHJZDBJ-VIFPVBQESA-N 2 0 279.348 -2.051 20 0 CAADRP N[C@H]1C[NH2+]C[C@@H]1C(=O)NCc1nnc2n1CCC[NH2+]C2 ZINC001219749642 780257101 /nfs/dbraw/zinc/25/71/01/780257101.db2.gz PHFDRNIWKLLFRX-IUCAKERBSA-N 2 0 279.348 -2.066 20 0 CAADRP O=C(NC[C@@H]1CCC2(CC[NH2+]CC2)O1)[C@H]1C[NH2+]C[C@@H]1O ZINC001219744147 780257153 /nfs/dbraw/zinc/25/71/53/780257153.db2.gz TUZLBISKZDIBTB-SRVKXCTJSA-N 2 0 283.372 -1.016 20 0 CAADRP NC1(C(=O)NCc2nnc3n2CCC[NH2+]C3)CC[NH2+]CC1 ZINC001219749346 780257364 /nfs/dbraw/zinc/25/73/64/780257364.db2.gz LKFYPRWMWGGIQD-UHFFFAOYSA-N 2 0 293.375 -1.532 20 0 CAADRP N[C@@H](C[NH3+])C(=O)NCc1nnc2n1CCC[NH2+]C2 ZINC001219749850 780257371 /nfs/dbraw/zinc/25/73/71/780257371.db2.gz RNXAVGLHKIJWSR-ZETCQYMHSA-N 2 0 253.310 -2.326 20 0 CAADRP O=C(NCc1nnc2n1CCC[NH2+]C2)[C@H]1C[NH2+]CCN1 ZINC001219749729 780257443 /nfs/dbraw/zinc/25/74/43/780257443.db2.gz QIUFLSRFHJZDBJ-SECBINFHSA-N 2 0 279.348 -2.051 20 0 CAADRP O=C(NCc1nnc2n1CCC[NH2+]C2)[C@@H]1CC[NH2+]1 ZINC001219749344 780257587 /nfs/dbraw/zinc/25/75/87/780257587.db2.gz LGVOVBXLYLEDGB-QMMMGPOBSA-N 2 0 250.306 -1.251 20 0 CAADRP O=C(NC[C@H]1C[C@H]2CNCC[N@@H+]2C1)[C@H]1C[C@@H](O)C[NH2+]1 ZINC001219764604 780258100 /nfs/dbraw/zinc/25/81/00/780258100.db2.gz ITDVHIVDRQEPTH-WRWGMCAJSA-N 2 0 268.361 -1.881 20 0 CAADRP NC1(C(=O)NC[C@H]2C[C@H]3CNCC[N@@H+]3C2)CC[NH2+]CC1 ZINC001219765082 780258192 /nfs/dbraw/zinc/25/81/92/780258192.db2.gz UKTKANNSZLXVFW-NEPJUHHUSA-N 2 0 281.404 -1.523 20 0 CAADRP O=C(NC[C@H]1C[C@H]2CNCC[N@@H+]2C1)[C@@]12C[NH2+]C[C@H]1CCN2 ZINC001219765086 780258285 /nfs/dbraw/zinc/25/82/85/780258285.db2.gz ULXFRBHHSRYMJY-GUIRCDHDSA-N 2 0 293.415 -1.652 20 0 CAADRP [NH3+]C[C@H](O)CC(=O)NC[C@H]1C[C@H]2CNCC[N@@H+]2C1 ZINC001219764312 780258332 /nfs/dbraw/zinc/25/83/32/780258332.db2.gz CYIMFYSCQTXAJT-OUAUKWLOSA-N 2 0 256.350 -1.894 20 0 CAADRP O=C(NC[C@H]1C[C@H]2CNCC[N@@H+]2C1)[C@@H]1C[NH2+]C[C@H]1O ZINC001219766406 780258348 /nfs/dbraw/zinc/25/83/48/780258348.db2.gz RTYNQLJQZYKEIQ-WRWGMCAJSA-N 2 0 268.361 -2.023 20 0 CAADRP N[C@@]1(C(=O)NC[C@H]2C[C@H]3CNCC[N@@H+]3C2)CC[NH2+]C1 ZINC001219766377 780258414 /nfs/dbraw/zinc/25/84/14/780258414.db2.gz RJTGZEFTMPQBBL-MDZLAQPJSA-N 2 0 267.377 -1.913 20 0 CAADRP O=C(NC[C@H]1C[C@H]2CNCC[N@@H+]2C1)[C@H]1C[NH2+]C[C@@H]1O ZINC001219766405 780258441 /nfs/dbraw/zinc/25/84/41/780258441.db2.gz RTYNQLJQZYKEIQ-RHYQMDGZSA-N 2 0 268.361 -2.023 20 0 CAADRP [NH3+]CCCC[C@H]([NH3+])C(=O)NC[C@H]1C[C@H]2CNCC[N@@H+]2C1 ZINC001219764947 780259155 /nfs/dbraw/zinc/25/91/55/780259155.db2.gz PYUSGTHOQSDJFX-AGIUHOORSA-N 3 0 283.420 -1.147 20 0 CAADRP O=C(NC[C@H]1C[C@H]2CNCC[N@@H+]2C1)[C@@H]1C[NH2+]C[C@@H]1O ZINC001219766402 780259180 /nfs/dbraw/zinc/25/91/80/780259180.db2.gz RTYNQLJQZYKEIQ-KXNHARMFSA-N 2 0 268.361 -2.023 20 0 CAADRP NC1(C(=O)NCC[C@@H]2CCOC23C[NH2+]C3)CC[NH2+]CC1 ZINC001219799845 780260729 /nfs/dbraw/zinc/26/07/29/780260729.db2.gz DUXAGZAXOHEKIU-LLVKDONJSA-N 2 0 282.388 -1.048 20 0 CAADRP N[C@@]1(C(=O)NCC[C@@H]2CCOC23C[NH2+]C3)CCC[NH2+]C1 ZINC001219799790 780260830 /nfs/dbraw/zinc/26/08/30/780260830.db2.gz COPQLPAGMNZFEF-YPMHNXCESA-N 2 0 282.388 -1.048 20 0 CAADRP [NH3+]C[C@H](O)CC(=O)NCC[C@H]1CCOC12C[NH2+]C2 ZINC001219800368 780260948 /nfs/dbraw/zinc/26/09/48/780260948.db2.gz IPMLITQAEUZTRO-VHSXEESVSA-N 2 0 257.334 -1.419 20 0 CAADRP N[C@@]1(C(=O)NCC[C@@H]2CCOC23C[NH2+]C3)CC[NH2+]C1 ZINC001219800214 780261118 /nfs/dbraw/zinc/26/11/18/780261118.db2.gz HWTXSIXBIDZPQQ-PWSUYJOCSA-N 2 0 268.361 -1.438 20 0 CAADRP [NH3+]CCNCC(=O)NC1CC[NH+](C2CC[NH2+]CC2)CC1 ZINC001219796184 780261535 /nfs/dbraw/zinc/26/15/35/780261535.db2.gz PLMHNJFMQKVBTL-UHFFFAOYSA-N 3 0 283.420 -1.133 20 0 CAADRP [NH3+][C@H]1CN[C@H](C(=O)NCC[C@@H]2CCOC23C[NH2+]C3)C1 ZINC001219799731 780261605 /nfs/dbraw/zinc/26/16/05/780261605.db2.gz BISQTPMHVHNBKQ-MXWKQRLJSA-N 3 0 268.361 -1.440 20 0 CAADRP O=C(NC1CC[NH+](C2CC[NH2+]CC2)CC1)[C@H]1C[NH2+]CCN1 ZINC001219796417 780261684 /nfs/dbraw/zinc/26/16/84/780261684.db2.gz ZDVAPKBNHKGZLY-CQSZACIVSA-N 3 0 295.431 -1.120 20 0 CAADRP [NH3+]C[C@@H](O)CC(=O)NCC[C@@H]1CCOC12C[NH2+]C2 ZINC001219800369 780261697 /nfs/dbraw/zinc/26/16/97/780261697.db2.gz IPMLITQAEUZTRO-ZJUUUORDSA-N 2 0 257.334 -1.419 20 0 CAADRP NC1(C(=O)NCC[C@H]2CCOC23C[NH2+]C3)CC[NH2+]CC1 ZINC001219799846 780261716 /nfs/dbraw/zinc/26/17/16/780261716.db2.gz DUXAGZAXOHEKIU-NSHDSACASA-N 2 0 282.388 -1.048 20 0 CAADRP N[C@]1(C(=O)NCC[C@@H]2CCOC23C[NH2+]C3)CCC[NH2+]C1 ZINC001219799788 780261762 /nfs/dbraw/zinc/26/17/62/780261762.db2.gz COPQLPAGMNZFEF-DGCLKSJQSA-N 2 0 282.388 -1.048 20 0 CAADRP NC(=O)NCCC[C@@H]([NH3+])C(=O)NC[C@]1(F)CCC[NH2+]C1 ZINC001219768892 780261765 /nfs/dbraw/zinc/26/17/65/780261765.db2.gz QIJFANPRLDXWKS-SKDRFNHKSA-N 2 0 289.355 -1.030 20 0 CAADRP N[C@H]1C[NH2+]C[C@@H]1C(=O)NCC[C@@H]1CCOC12C[NH2+]C2 ZINC001219801321 780262094 /nfs/dbraw/zinc/26/20/94/780262094.db2.gz XRKOTASSHOSLKY-VWYCJHECSA-N 2 0 268.361 -1.582 20 0 CAADRP O=C(NCC[C@@H]1CCOC12C[NH2+]C2)[C@H]1[NH2+]CC[C@H]1O ZINC001219803362 780262116 /nfs/dbraw/zinc/26/21/16/780262116.db2.gz RJXLHDPCOMBETG-MXWKQRLJSA-N 2 0 269.345 -1.406 20 0 CAADRP C[NH+](C)[C@@H](C(=O)N[C@@H]1C[N@H+](CCCO)C[C@@H]1O)C1CC1 ZINC001219805956 780262148 /nfs/dbraw/zinc/26/21/48/780262148.db2.gz WWLGAUAXIRGTDC-FRRDWIJNSA-N 2 0 285.388 -1.130 20 0 CAADRP O=C(NCC[C@@H]1CCOC12C[NH2+]C2)[C@H]1[NH2+]CC[C@@H]1O ZINC001219803363 780262231 /nfs/dbraw/zinc/26/22/31/780262231.db2.gz RJXLHDPCOMBETG-VWYCJHECSA-N 2 0 269.345 -1.406 20 0 CAADRP N[C@]1(C(=O)NC[C@]23C[NH2+]C[C@H]2COC3)CCC[NH2+]C1 ZINC001219812936 780262241 /nfs/dbraw/zinc/26/22/41/780262241.db2.gz LVWFVRNSGSKXJK-WCFLWFBJSA-N 2 0 268.361 -1.581 20 0 CAADRP [NH3+]CCNCC(=O)NCc1noc2c1C[NH2+]CC2 ZINC001219811731 780262299 /nfs/dbraw/zinc/26/22/99/780262299.db2.gz ZLDVFVJOXGOUPY-UHFFFAOYSA-N 2 0 253.306 -1.515 20 0 CAADRP [NH3+]CCC[C@H]([NH3+])C(=O)NC[C@]12C[NH2+]C[C@H]1COC2 ZINC001219812893 780262332 /nfs/dbraw/zinc/26/23/32/780262332.db2.gz KIKQQALKQDYXPO-NHCYSSNCSA-N 3 0 256.350 -1.595 20 0 CAADRP O=C(NCc1noc2c1C[NH2+]CC2)[C@@H]1C[NH2+]CCN1 ZINC001219811210 780262380 /nfs/dbraw/zinc/26/23/80/780262380.db2.gz NDDKWHJIDUSORS-JTQLQIEISA-N 2 0 265.317 -1.502 20 0 CAADRP O=C(NCc1noc2c1C[NH2+]CC2)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1 ZINC001219809479 780262536 /nfs/dbraw/zinc/26/25/36/780262536.db2.gz LYJBMYCWUVTXFH-INTQDDNPSA-N 2 0 291.355 -1.114 20 0 CAADRP CC(=O)OC[C@H]([NH3+])C(=O)NCC[C@H]1CCOC12C[NH2+]C2 ZINC001219801296 780262611 /nfs/dbraw/zinc/26/26/11/780262611.db2.gz XCGOUFAKGVJINB-QWRGUYRKSA-N 2 0 285.344 -1.238 20 0 CAADRP O=C(NCc1noc2c1C[NH2+]CC2)[C@@H]1C[C@H](O)C[NH2+]1 ZINC001219810782 780262714 /nfs/dbraw/zinc/26/27/14/780262714.db2.gz CSJARIFHLXFQMD-CBAPKCEASA-N 2 0 266.301 -1.341 20 0 CAADRP O=C(NCc1noc2c1C[NH2+]CC2)[C@H]1C[NH2+]CCN1 ZINC001219811212 780262813 /nfs/dbraw/zinc/26/28/13/780262813.db2.gz NDDKWHJIDUSORS-SNVBAGLBSA-N 2 0 265.317 -1.502 20 0 CAADRP O=C(NCc1noc2c1C[NH2+]CC2)[C@]12C[NH2+]C[C@H]1CCN2 ZINC001219809994 780262832 /nfs/dbraw/zinc/26/28/32/780262832.db2.gz YNYSGKXWMPPBNB-OTYXRUKQSA-N 2 0 291.355 -1.112 20 0 CAADRP N[C@@]1(C(=O)NC[C@]23C[NH2+]C[C@H]2COC3)CCC[NH2+]C1 ZINC001219812935 780262957 /nfs/dbraw/zinc/26/29/57/780262957.db2.gz LVWFVRNSGSKXJK-DRZSPHRISA-N 2 0 268.361 -1.581 20 0 CAADRP CC(=O)OC[C@H]([NH3+])C(=O)NCC[C@@H]1CCOC12C[NH2+]C2 ZINC001219801295 780263084 /nfs/dbraw/zinc/26/30/84/780263084.db2.gz XCGOUFAKGVJINB-MNOVXSKESA-N 2 0 285.344 -1.238 20 0 CAADRP NC1(C(=O)NC[C@]23C[NH2+]C[C@H]2COC3)CC[NH2+]CC1 ZINC001219812907 780263142 /nfs/dbraw/zinc/26/31/42/780263142.db2.gz KQSBNABGWKLLLZ-JQWIXIFHSA-N 2 0 268.361 -1.581 20 0 CAADRP [NH3+]C[C@@H](O)CC(=O)NCc1noc2c1C[NH2+]CC2 ZINC001219809980 780263211 /nfs/dbraw/zinc/26/32/11/780263211.db2.gz YAAHOPQVBKYTGO-ZETCQYMHSA-N 2 0 254.290 -1.354 20 0 CAADRP O=C(CN1CC[NH2+]CC1)NCC[C@@H]1CCOC12C[NH2+]C2 ZINC001219800461 780263312 /nfs/dbraw/zinc/26/33/12/780263312.db2.gz KISMSHVCAGGEFT-GFCCVEGCSA-N 2 0 282.388 -1.224 20 0 CAADRP O=C(NCc1noc2c1C[NH2+]CC2)[C@]12C[NH2+]C[C@@H]1CCN2 ZINC001219809995 780263317 /nfs/dbraw/zinc/26/33/17/780263317.db2.gz YNYSGKXWMPPBNB-XPTSAGLGSA-N 2 0 291.355 -1.112 20 0 CAADRP N[C@]1(C(=O)NC[C@]23C[NH2+]C[C@H]2COC3)CC[NH2+]C1 ZINC001219814595 780264036 /nfs/dbraw/zinc/26/40/36/780264036.db2.gz HPOMSLHHCUMXTP-ZMLRMANQSA-N 2 0 254.334 -1.971 20 0 CAADRP CC(=O)OC[C@H]([NH3+])C(=O)NC[C@H]1C[C@@H]2C[NH2+]C[C@@H]2O1 ZINC001219831173 780264043 /nfs/dbraw/zinc/26/40/43/780264043.db2.gz AEYOLRHBMFIHAI-ZNSHCXBVSA-N 2 0 271.317 -1.630 20 0 CAADRP [NH3+]CCC[C@H]([NH3+])C(=O)NC[C@H]1C[C@@H]2C[NH2+]C[C@@H]2O1 ZINC001219831467 780264076 /nfs/dbraw/zinc/26/40/76/780264076.db2.gz LZQHPCFPZLGGAH-ZNSHCXBVSA-N 3 0 256.350 -1.454 20 0 CAADRP O=C(NC[C@]12C[NH2+]C[C@H]1COC2)[C@H]1[NH2+]CC[C@@H]1O ZINC001219814437 780264124 /nfs/dbraw/zinc/26/41/24/780264124.db2.gz DZDARXVUUIFQBA-GMOBBJLQSA-N 2 0 255.318 -1.939 20 0 CAADRP O=C(NC[C@]12C[NH2+]C[C@H]1COC2)[C@H]1C[C@@H](O)C[NH2+]1 ZINC001219813116 780264201 /nfs/dbraw/zinc/26/42/01/780264201.db2.gz OMHAFKUTWBZIEN-XNDJQWLSSA-N 2 0 255.318 -1.939 20 0 CAADRP C[N@H+](CC(=O)N[C@@H]1C[NH+](CCO)C[C@@H]1O)C1CCC1 ZINC001219815963 780264251 /nfs/dbraw/zinc/26/42/51/780264251.db2.gz SVRVKANJQTUIDJ-NEPJUHHUSA-N 2 0 271.361 -1.376 20 0 CAADRP O=C(NC[C@H]1C[C@@H]2C[NH2+]C[C@@H]2O1)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1 ZINC001219831216 780264291 /nfs/dbraw/zinc/26/42/91/780264291.db2.gz BRIAYGMHXYPPKX-NGFXDRFKSA-N 2 0 280.372 -1.571 20 0 CAADRP O=C(CNC1CC[NH2+]CC1)NC[C@]12C[NH2+]C[C@H]1COC2 ZINC001219813426 780264427 /nfs/dbraw/zinc/26/44/27/780264427.db2.gz SZIWNAWIHYOGIZ-FZMZJTMJSA-N 2 0 282.388 -1.320 20 0 CAADRP [NH3+][C@H](Cc1cnc[nH]1)C(=O)NC[C@H]1C[C@@H]2C[NH2+]C[C@@H]2O1 ZINC001219831681 780264532 /nfs/dbraw/zinc/26/45/32/780264532.db2.gz UIPMCLRCQCNBAV-HKWIRBFKSA-N 2 0 279.344 -1.227 20 0 CAADRP O=C(NC[C@]12C[NH2+]C[C@H]1COC2)[C@H]1C[NH2+]CCN1 ZINC001219813117 780264648 /nfs/dbraw/zinc/26/46/48/780264648.db2.gz OMHLBNUFBKFJOS-UMNHJUIQSA-N 2 0 254.334 -2.100 20 0 CAADRP N[C@]1(C(=O)NC[C@H]2C[C@@H]3C[NH2+]C[C@@H]3O2)CC[NH2+]C1 ZINC001219831512 780264677 /nfs/dbraw/zinc/26/46/77/780264677.db2.gz NJRQEEXNZYZYKQ-MWGHHZFTSA-N 2 0 254.334 -1.830 20 0 CAADRP NC1(C(=O)NC[C@H]2C[C@@H]3C[NH2+]C[C@@H]3O2)CC[NH2+]CC1 ZINC001219831239 780264796 /nfs/dbraw/zinc/26/47/96/780264796.db2.gz CSCVMDJNKYUPGB-MXWKQRLJSA-N 2 0 268.361 -1.440 20 0 CAADRP O=C(NC[C@H]1C[C@@H]2C[NH2+]C[C@@H]2O1)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001219831606 780264903 /nfs/dbraw/zinc/26/49/03/780264903.db2.gz QLXZLRXFBFNYBQ-KKOKHZNYSA-N 3 0 280.372 -1.712 20 0 CAADRP NC(=O)NCCC[C@@H]([NH3+])C(=O)NC[C@]12C[NH2+]C[C@H]1COC2 ZINC001219813689 780264919 /nfs/dbraw/zinc/26/49/19/780264919.db2.gz ZMAAQRKGQALCOS-CWSCBRNRSA-N 2 0 299.375 -1.886 20 0 CAADRP [NH3+]CCC[C@@H]([NH3+])C(=O)NC[C@H]1C[C@@H]2C[NH2+]C[C@@H]2O1 ZINC001219831466 780264955 /nfs/dbraw/zinc/26/49/55/780264955.db2.gz LZQHPCFPZLGGAH-DBIOUOCHSA-N 3 0 256.350 -1.454 20 0 CAADRP N[C@H]1C[NH2+]C[C@@H]1C(=O)NC[C@]12C[NH2+]C[C@H]1COC2 ZINC001219814414 780265004 /nfs/dbraw/zinc/26/50/04/780265004.db2.gz DGFVBPRZAAXGPF-GMOBBJLQSA-N 2 0 254.334 -2.115 20 0 CAADRP [NH3+]CC(=O)N1CCC[C@H]1C(=O)NC[C@]12C[NH2+]C[C@H]1COC2 ZINC001219813378 780265057 /nfs/dbraw/zinc/26/50/57/780265057.db2.gz RLKSUWMTNIIATP-MJVIPROJSA-N 2 0 296.371 -1.712 20 0 CAADRP [NH3+]CCNCC(=O)NC[C@@H]1CO[C@@]2(C1)C[NH2+]CCOC2 ZINC001219837773 780265106 /nfs/dbraw/zinc/26/51/06/780265106.db2.gz LSRAGFWSTLSDFJ-YPMHNXCESA-N 2 0 286.376 -1.954 20 0 CAADRP O=C(NC[C@H]1C[C@@H]2C[NH2+]C[C@@H]2O1)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC001219831737 780265115 /nfs/dbraw/zinc/26/51/15/780265115.db2.gz WMDSINXWYYMHAH-UCFKJQRDSA-N 2 0 251.330 -1.055 20 0 CAADRP O=C(NC[C@H]1C[C@@H]2C[NH2+]C[C@@H]2O1)[C@H]1[NH2+]CC[C@H]1O ZINC001219831571 780265227 /nfs/dbraw/zinc/26/52/27/780265227.db2.gz PILNYVYMEPPNCW-APLZJWDSSA-N 2 0 255.318 -1.798 20 0 CAADRP [NH3+]C1(C(=O)NC[C@@H]2CO[C@@]3(C2)C[NH2+]CCOC3)CC1 ZINC001219835112 780265631 /nfs/dbraw/zinc/26/56/31/780265631.db2.gz WTGOQJQQKPOCDG-PWSUYJOCSA-N 2 0 269.345 -1.011 20 0 CAADRP O=C(NC[C@H]1CO[C@@]2(C1)C[NH2+]CCOC2)[C@H]1C[C@@H](O)C[NH2+]1 ZINC001219837974 780265651 /nfs/dbraw/zinc/26/56/51/780265651.db2.gz NGZGWFRIBIGBOI-SFTQSGBHSA-N 2 0 299.371 -1.780 20 0 CAADRP O=C(NC[C@@H]1CO[C@]2(C1)C[NH2+]CCOC2)[C@@H]1C[NH2+]CCN1 ZINC001219837778 780265678 /nfs/dbraw/zinc/26/56/78/780265678.db2.gz LUXJDUQHLWKATL-MBNYWOFBSA-N 2 0 298.387 -1.941 20 0 CAADRP N[C@@H](CC[NH3+])C(=O)NC[C@H]1CO[C@]2(C1)C[NH2+]CCOC2 ZINC001219838588 780266006 /nfs/dbraw/zinc/26/60/06/780266006.db2.gz SCCJRYKSSRCVNQ-GMXVVIOVSA-N 2 0 286.376 -1.826 20 0 CAADRP [NH3+]C[C@H](O)CC(=O)NC[C@@H]1CO[C@]2(C1)C[NH2+]CCOC2 ZINC001219835108 780266025 /nfs/dbraw/zinc/26/60/25/780266025.db2.gz WTBCPROEGZBAQX-NQBHXWOUSA-N 2 0 287.360 -1.793 20 0 CAADRP [NH3+][C@@H]1CN[C@H](C(=O)NC[C@H]2CO[C@@]3(C2)C[NH2+]CCOC3)C1 ZINC001219837057 780266134 /nfs/dbraw/zinc/26/61/34/780266134.db2.gz HCBVEGOOOYRZSM-MNXVOIDGSA-N 2 0 298.387 -1.813 20 0 CAADRP C[C@@H]([NH3+])C(=O)NC[C@H]1CO[C@@]2(C1)C[NH2+]CCOC2 ZINC001219834343 780266230 /nfs/dbraw/zinc/26/62/30/780266230.db2.gz PYTXZJISYZHGMI-SCVCMEIPSA-N 2 0 257.334 -1.155 20 0 CAADRP O=C(NC[C@@H]1CO[C@]2(C1)C[NH2+]CCOC2)[C@H]1[NH2+]CC[C@H]1O ZINC001219837710 780266249 /nfs/dbraw/zinc/26/62/49/780266249.db2.gz LHUSOMHRNATLKF-NRWUCQMLSA-N 2 0 299.371 -1.780 20 0 CAADRP [NH3+][C@@H]1CN[C@H](C(=O)NC[C@@H]2CO[C@@]3(C2)C[NH2+]CCOC3)C1 ZINC001219837062 780266371 /nfs/dbraw/zinc/26/63/71/780266371.db2.gz HCBVEGOOOYRZSM-UHXUPSOCSA-N 2 0 298.387 -1.813 20 0 CAADRP N[C@]1(C(=O)NC[C@@H]2CO[C@@]3(C2)C[NH2+]CCOC3)CC[NH2+]C1 ZINC001219836963 780266521 /nfs/dbraw/zinc/26/65/21/780266521.db2.gz GNHFYDWLUFWQQU-KWCYVHTRSA-N 2 0 298.387 -1.812 20 0 CAADRP O=C(NC[C@H]1CO[C@@]2(C1)C[NH2+]CCOC2)[C@H]1[NH2+]CC[C@@H]1O ZINC001219837708 780266537 /nfs/dbraw/zinc/26/65/37/780266537.db2.gz LHUSOMHRNATLKF-MNXVOIDGSA-N 2 0 299.371 -1.780 20 0 CAADRP O=C(NC[C@H]1CO[C@]2(C1)C[NH2+]CCOC2)[C@H]1C[C@@H](O)C[NH2+]1 ZINC001219837968 780266614 /nfs/dbraw/zinc/26/66/14/780266614.db2.gz NGZGWFRIBIGBOI-FMCLSXCISA-N 2 0 299.371 -1.780 20 0 CAADRP O=C(NC[C@H]1CO[C@@]2(C1)C[NH2+]CCOC2)[C@H]1C[NH2+]CCN1 ZINC001219837781 780266670 /nfs/dbraw/zinc/26/66/70/780266670.db2.gz LUXJDUQHLWKATL-SCRDCRAPSA-N 2 0 298.387 -1.941 20 0 CAADRP [NH3+][C@H]1CN[C@H](C(=O)NC[C@H]2CO[C@@]3(C2)C[NH2+]CCOC3)C1 ZINC001219837060 780266710 /nfs/dbraw/zinc/26/67/10/780266710.db2.gz HCBVEGOOOYRZSM-OPDFLTKYSA-N 2 0 298.387 -1.813 20 0 CAADRP O=C(N[C@H]1CC[C@@H]2[NH2+]CCO[C@@H]12)[C@]12C[NH2+]C[C@@H]1CCN2 ZINC001219847622 780267177 /nfs/dbraw/zinc/26/71/77/780267177.db2.gz MZTBNSCJAOWUSI-GCQYFTOKSA-N 2 0 280.372 -1.427 20 0 CAADRP C[S@](=O)CC[C@H]([NH3+])C(=O)N[C@H]1CC[C@@H]2[NH2+]CCO[C@@H]12 ZINC001219848035 780267619 /nfs/dbraw/zinc/26/76/19/780267619.db2.gz VOFOAEHBMULGAX-CPXBJQAPSA-N 2 0 289.401 -1.282 20 0 CAADRP O=C(N[C@H]1CC[C@@H]2[NH2+]CCO[C@@H]12)[C@H]1C[NH2+]C[C@H]1O ZINC001219847805 780267766 /nfs/dbraw/zinc/26/77/66/780267766.db2.gz SPSFBYOFGFIFLW-LADJIXMOSA-N 2 0 255.318 -1.798 20 0 CAADRP O=C(N[C@H]1CC[C@@H]2[NH2+]CCO[C@@H]12)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001219847499 780267794 /nfs/dbraw/zinc/26/77/94/780267794.db2.gz JDNVOVJRXOCLMK-FIQHERPVSA-N 3 0 280.372 -1.569 20 0 CAADRP CC(=O)OC[C@H]([NH3+])C(=O)N[C@H]1CC[C@@H]2[NH2+]CCO[C@@H]12 ZINC001219847587 780267840 /nfs/dbraw/zinc/26/78/40/780267840.db2.gz LHOGQUJHBMXSBI-XWLWVQCSSA-N 2 0 271.317 -1.488 20 0 CAADRP [NH3+]CCC[C@@H]([NH3+])C(=O)N[C@H]1CC[C@@H]2[NH2+]CCO[C@@H]12 ZINC001219847975 780267906 /nfs/dbraw/zinc/26/79/06/780267906.db2.gz ULWCBXICNZSQKO-VPOLOUISSA-N 3 0 256.350 -1.312 20 0 CAADRP [NH3+][C@H](C(=O)N[C@H]1CC[C@@H]2[NH2+]CCO[C@@H]12)C1CC[NH2+]CC1 ZINC001219847656 780268034 /nfs/dbraw/zinc/26/80/34/780268034.db2.gz NWIGOGFCDBBUKM-ZDEQEGDKSA-N 3 0 282.388 -1.051 20 0 CAADRP O=C(N[C@H]1CC[C@@H]2[NH2+]CCO[C@@H]12)[C@H]1COC2(C[NH2+]C2)CN1 ZINC001219847493 780268088 /nfs/dbraw/zinc/26/80/88/780268088.db2.gz JARZLXLXSMENMT-NNYUYHANSA-N 2 0 296.371 -2.048 20 0 CAADRP N[C@H]1C[NH2+]C[C@@H]1C(=O)NC[C@H]1CO[C@]2(C1)C[NH2+]CCOC2 ZINC001219839217 780268185 /nfs/dbraw/zinc/26/81/85/780268185.db2.gz YFJIZDCIWIDBHH-ZJQBRPOHSA-N 2 0 298.387 -1.956 20 0 CAADRP O=C(NC[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21)[C@]12C[NH2+]C[C@@H]1CCN2 ZINC001219850193 780268666 /nfs/dbraw/zinc/26/86/66/780268666.db2.gz NNAGNIMWSHVVJJ-BAYHKCFCSA-N 2 0 294.399 -1.321 20 0 CAADRP Cn1cncc1C[C@H]([NH3+])C(=O)N[C@H]1CC[C@@H]2[NH2+]CCO[C@@H]12 ZINC001219847551 780268684 /nfs/dbraw/zinc/26/86/84/780268684.db2.gz KJOZDZRKPGWKMT-ZDEQEGDKSA-N 2 0 293.371 -1.075 20 0 CAADRP [NH3+]CCNCC(=O)NC[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21 ZINC001219852770 780268906 /nfs/dbraw/zinc/26/89/06/780268906.db2.gz ZIWJXMZUMOSSQA-GARJFASQSA-N 2 0 256.350 -1.725 20 0 CAADRP O=C(N[C@H]1CO[C@@H]2C[NH2+]C[C@H]12)[C@]12C[NH2+]C[C@H]1COC2 ZINC001219854770 780268992 /nfs/dbraw/zinc/26/89/92/780268992.db2.gz UUAMOZFTWIYWHV-UGCHFJIKSA-N 2 0 267.329 -1.675 20 0 CAADRP O=C(CN1CC[NH2+]CC1)NC[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21 ZINC001219852080 780269001 /nfs/dbraw/zinc/26/90/01/780269001.db2.gz LECDMIGEVNOLPC-RWMBFGLXSA-N 2 0 282.388 -1.368 20 0 CAADRP O=C(N[C@H]1CO[C@@H]2C[NH2+]C[C@H]12)[C@@H]1C[C@@H]2CC[NH2+]C[C@H]2O1 ZINC001219854692 780269070 /nfs/dbraw/zinc/26/90/70/780269070.db2.gz QCMNFZMGDHAZJJ-LIBFEPKXSA-N 2 0 281.356 -1.144 20 0 CAADRP N[C@@]1(C(=O)NC[C@H]2OC[C@@H]3CC[NH2+]C[C@@H]32)CCC[NH2+]C1 ZINC001219852539 780269284 /nfs/dbraw/zinc/26/92/84/780269284.db2.gz UITHMMPVGRQGFI-FMSGJZPZSA-N 2 0 282.388 -1.192 20 0 CAADRP O=C(N[C@H]1CO[C@@H]2C[NH2+]C[C@H]12)[C@@]12C[NH2+]C[C@H]1CCN2 ZINC001219854488 780269346 /nfs/dbraw/zinc/26/93/46/780269346.db2.gz KCDDTSWZPPGDFU-BZNQNGANSA-N 2 0 266.345 -1.959 20 0 CAADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)N[C@H]1CO[C@@H]2C[NH2+]C[C@H]12 ZINC001219856493 780269442 /nfs/dbraw/zinc/26/94/42/780269442.db2.gz OUWIMBRSJGCBKK-MROQNXINSA-N 3 0 297.403 -2.160 20 0 CAADRP N[C@H]1C[NH2+]C[C@@H]1C(=O)NC[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21 ZINC001219852023 780269470 /nfs/dbraw/zinc/26/94/70/780269470.db2.gz KFFXMYMKFJZAEH-UHFZAUJKSA-N 2 0 268.361 -1.726 20 0 CAADRP O=C(NC[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1 ZINC001219850593 780269565 /nfs/dbraw/zinc/26/95/65/780269565.db2.gz YKUDXJMZULNZNI-SNIKSBKOSA-N 2 0 294.399 -1.323 20 0 CAADRP N[C@]1(C(=O)NC[C@H]2OC[C@@H]3CC[NH2+]C[C@@H]32)CCC[NH2+]C1 ZINC001219852538 780269669 /nfs/dbraw/zinc/26/96/69/780269669.db2.gz UITHMMPVGRQGFI-CIQGVGRVSA-N 2 0 282.388 -1.192 20 0 CAADRP N[C@@]1(C(=O)N[C@H]2CO[C@@H]3C[NH2+]C[C@H]23)CCC[NH2+]C1 ZINC001219856178 780269680 /nfs/dbraw/zinc/26/96/80/780269680.db2.gz BFEFRYISNAMMFJ-KLBPJQLPSA-N 2 0 254.334 -1.830 20 0 CAADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)N[C@H]1CO[C@@H]2C[NH2+]C[C@H]12 ZINC001219856492 780269806 /nfs/dbraw/zinc/26/98/06/780269806.db2.gz OUWIMBRSJGCBKK-FVCCEPFGSA-N 3 0 297.403 -2.160 20 0 CAADRP O=C(C[C@H]1COCC[NH2+]1)N[C@H]1CO[C@@H]2C[NH2+]C[C@H]12 ZINC001219856489 780269839 /nfs/dbraw/zinc/26/98/39/780269839.db2.gz OQVRSKZSFHMIHX-ZRUFSTJUSA-N 2 0 255.318 -1.532 20 0 CAADRP O=C(N[C@H]1CO[C@@H]2C[NH2+]C[C@H]12)[C@H]1COC2(C[NH2+]C2)CN1 ZINC001219854601 780269996 /nfs/dbraw/zinc/26/99/96/780269996.db2.gz MREVUUUPTVPXKR-LMLFDSFASA-N 2 0 282.344 -2.580 20 0 CAADRP [NH3+]CC(=O)N1CCC[C@H]1C(=O)N[C@H]1CO[C@@H]2C[NH2+]C[C@H]12 ZINC001219856384 780270079 /nfs/dbraw/zinc/27/00/79/780270079.db2.gz KQQQHURVIGNHLA-VPOLOUISSA-N 2 0 282.344 -1.961 20 0 CAADRP O=C(NC[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21)[C@@H]1C[NH2+]CCN1 ZINC001219852182 780270101 /nfs/dbraw/zinc/27/01/01/780270101.db2.gz NGESZHVFPAHWNF-FIQHERPVSA-N 2 0 268.361 -1.712 20 0 CAADRP O=C(CNC1CC[NH2+]CC1)N[C@H]1CO[C@@H]2C[NH2+]C[C@H]12 ZINC001219854709 780270220 /nfs/dbraw/zinc/27/02/20/780270220.db2.gz QSFWWKOWAWUFLP-GRYCIOLGSA-N 2 0 268.361 -1.569 20 0 CAADRP NC1(C(=O)N[C@H]2CO[C@@H]3C[NH2+]C[C@H]23)CC[NH2+]CC1 ZINC001219856480 780270241 /nfs/dbraw/zinc/27/02/41/780270241.db2.gz OGSBHKIFIIEOBJ-KXUCPTDWSA-N 2 0 254.334 -1.830 20 0 CAADRP C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)NCC[NH3+] ZINC001219872465 780271038 /nfs/dbraw/zinc/27/10/38/780271038.db2.gz GKTJXGDHCFTCGJ-IUCAKERBSA-N 2 0 285.348 -2.484 20 0 CAADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N[C@H](C(=O)OC)[C@@H](C)O ZINC001219879620 780271591 /nfs/dbraw/zinc/27/15/91/780271591.db2.gz JIZRAORAPIJABC-UTLUCORTSA-N 2 0 275.349 -1.258 20 0 CAADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)NC[C@@H](O)CO ZINC001219865405 780271939 /nfs/dbraw/zinc/27/19/39/780271939.db2.gz NFVFMYVPUPOTKM-ZJUUUORDSA-N 2 0 260.338 -2.794 20 0 CAADRP COC(=O)[C@@H](NC(=O)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1)[C@@H](C)O ZINC001219880097 780273162 /nfs/dbraw/zinc/27/31/62/780273162.db2.gz UCSHUKPSKDEYIW-VWYCJHECSA-N 2 0 299.371 -1.101 20 0 CAADRP COC(=O)[C@@H](NC(=O)[C@@H]([NH3+])CSCC[NH3+])[C@@H](C)O ZINC001219880670 780273405 /nfs/dbraw/zinc/27/34/05/780273405.db2.gz GPKWYYZGKQADOV-CSMHCCOUSA-N 2 0 279.362 -1.956 20 0 CAADRP C[C@@H](C[NH+](C)C)NC(=O)[C@H](C)NC(=O)[C@@H]([NH3+])CO ZINC001219916416 780274121 /nfs/dbraw/zinc/27/41/21/780274121.db2.gz VJRJNFBLAFQJFZ-CIUDSAMLSA-N 2 0 260.338 -2.123 20 0 CAADRP CC(=O)N1C[C@@H]2C[C@]2(NC(=O)[C@@H]([NH3+])CCC[NH3+])C1 ZINC001219889981 780274515 /nfs/dbraw/zinc/27/45/15/780274515.db2.gz DBRGRMDEUSOXIP-NHCYSSNCSA-N 2 0 254.334 -1.210 20 0 CAADRP O=C(NCC[NH2+]CCO)[C@@H]1CCCN([C@H]2CC[NH2+]C2)C1 ZINC001219918798 780276831 /nfs/dbraw/zinc/27/68/31/780276831.db2.gz QYXIEXHIAIFMJB-OLZOCXBDSA-N 2 0 284.404 -1.242 20 0 CAADRP [NH3+][C@H](Cc1cccc(O)c1)C(=O)NCC[NH2+]CCO ZINC001219918370 780276956 /nfs/dbraw/zinc/27/69/56/780276956.db2.gz JUDHEOSKPJHHQE-GFCCVEGCSA-N 2 0 267.329 -1.040 20 0 CAADRP C[C@H](C[NH+](C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+] ZINC001219915827 780277109 /nfs/dbraw/zinc/27/71/09/780277109.db2.gz BVVCVCGYSQXMEU-VGMNWLOBSA-N 2 0 287.364 -2.240 20 0 CAADRP Cn1cncc1C[C@H]([NH3+])C(=O)NCC[NH2+]CCO ZINC001219918112 780277134 /nfs/dbraw/zinc/27/71/34/780277134.db2.gz FDCCPUNQDYYFBQ-JTQLQIEISA-N 2 0 255.322 -2.012 20 0 CAADRP [NH3+][C@H](C(=O)NCC[NH2+]CCO)C1CCC(O)CC1 ZINC001219918283 780277262 /nfs/dbraw/zinc/27/72/62/780277262.db2.gz JIVDGWCDQCLGJV-ILDUYXDCSA-N 2 0 259.350 -1.437 20 0 CAADRP O=C(NCC[NH2+]CCO)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001219918382 780277395 /nfs/dbraw/zinc/27/73/95/780277395.db2.gz KBVYWGQNEYNLNL-LLVKDONJSA-N 3 0 270.377 -1.441 20 0 CAADRP [NH3+][C@@H](Cc1cccc(O)c1)C(=O)NCC[NH2+]CCO ZINC001219918371 780277458 /nfs/dbraw/zinc/27/74/58/780277458.db2.gz JUDHEOSKPJHHQE-LBPRGKRZSA-N 2 0 267.329 -1.040 20 0 CAADRP [NH3+][C@H](C(=O)N[C@H]1C=CS(=O)(=O)C1)C1CC[NH2+]CC1 ZINC001219945614 780278090 /nfs/dbraw/zinc/27/80/90/780278090.db2.gz NZVISXSUHDPWFE-UWVGGRQHSA-N 2 0 273.358 -1.260 20 0 CAADRP [NH3+]CCC[C@@H]([NH3+])C(=O)NCCNC(=O)c1ccncc1 ZINC001219936782 780278271 /nfs/dbraw/zinc/27/82/71/780278271.db2.gz UBVHQAVUHKKDIW-LLVKDONJSA-N 2 0 279.344 -1.006 20 0 CAADRP [NH3+][C@@H](C(=O)N[C@@H]1C=CS(=O)(=O)C1)C1CC[NH2+]CC1 ZINC001219945613 780278617 /nfs/dbraw/zinc/27/86/17/780278617.db2.gz NZVISXSUHDPWFE-NXEZZACHSA-N 2 0 273.358 -1.260 20 0 CAADRP O=C(N[C@@H]1C=CS(=O)(=O)C1)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001219945666 780279221 /nfs/dbraw/zinc/27/92/21/780279221.db2.gz PNDSJKSPFXPSEM-CKYFFXLPSA-N 2 0 285.369 -1.388 20 0 CAADRP O=C(N[C@@H]1C=CS(=O)(=O)C1)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001219945146 780279234 /nfs/dbraw/zinc/27/92/34/780279234.db2.gz BPIVRUWQDLJSAJ-BDAKNGLRSA-N 2 0 271.342 -1.778 20 0 CAADRP [NH3+]CCC[C@H]([NH3+])C(=O)NCCNC(=O)c1ccncc1 ZINC001219936783 780279584 /nfs/dbraw/zinc/27/95/84/780279584.db2.gz UBVHQAVUHKKDIW-NSHDSACASA-N 2 0 279.344 -1.006 20 0 CAADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)NC[C@H]1CCC(=O)N1 ZINC001219959413 780280206 /nfs/dbraw/zinc/28/02/06/780280206.db2.gz UFYHIIZOXUILFL-GHMZBOCLSA-N 2 0 283.376 -1.868 20 0 CAADRP O=C(NC[C@@H]1CCC(=O)N1)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001219959494 780280456 /nfs/dbraw/zinc/28/04/56/780280456.db2.gz XCRATLWPPQTRAC-DTWKUNHWSA-N 2 0 252.318 -1.810 20 0 CAADRP O=C(NC[C@H]1CCC(=O)N1)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001219959577 780281327 /nfs/dbraw/zinc/28/13/27/780281327.db2.gz ZEGSIZDEZCCEQC-GIPNMCIBSA-N 2 0 266.345 -1.420 20 0 CAADRP [NH3+]CCC[C@@H]([NH3+])C(=O)NCCCc1c[nH][nH]c1=O ZINC001219967994 780282915 /nfs/dbraw/zinc/28/29/15/780282915.db2.gz ROZMQNRZGVOPDD-DTWKUNHWSA-N 2 0 255.322 -1.319 20 0 CAADRP [NH3+]CCC[C@H]([NH3+])C(=O)NCCCc1c[nH][nH]c1=O ZINC001219967995 780283306 /nfs/dbraw/zinc/28/33/06/780283306.db2.gz ROZMQNRZGVOPDD-IUCAKERBSA-N 2 0 255.322 -1.319 20 0 CAADRP COC(=O)[C@@H]1C[C@@H](NC(=O)[C@H]([NH3+])C2CC[NH2+]CC2)CN1 ZINC001219967654 780283825 /nfs/dbraw/zinc/28/38/25/780283825.db2.gz DMYAZBMKDOZOAC-OUAUKWLOSA-N 2 0 284.360 -1.667 20 0 CAADRP [NH3+][C@H](C(=O)NCCCc1c[nH][nH]c1=O)C1CC[NH2+]CC1 ZINC001219969492 780284176 /nfs/dbraw/zinc/28/41/76/780284176.db2.gz BTFNGQIENUOPDC-QWRGUYRKSA-N 2 0 281.360 -1.059 20 0 CAADRP COC(=O)[C@@H]1C[C@@H](NC(=O)[C@@H]([NH3+])CCC[NH3+])CN1 ZINC001219965711 780284482 /nfs/dbraw/zinc/28/44/82/780284482.db2.gz XZBBDUZLKRJBNB-VGMNWLOBSA-N 2 0 258.322 -1.928 20 0 CAADRP COC(=O)[C@@H]1C[C@@H](NC(=O)[C@H]([NH3+])CCC[NH3+])CN1 ZINC001219965710 780284720 /nfs/dbraw/zinc/28/47/20/780284720.db2.gz XZBBDUZLKRJBNB-HLTSFMKQSA-N 2 0 258.322 -1.928 20 0 CAADRP O=C(CNC(=O)[C@H]1C[NH2+]CC12C[NH2+]C2)NC1CCCC1 ZINC001219975136 780286388 /nfs/dbraw/zinc/28/63/88/780286388.db2.gz OSOXXBVKLIYTAY-LLVKDONJSA-N 2 0 280.372 -1.030 20 0 CAADRP COC(=O)CNC(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001219975937 780286566 /nfs/dbraw/zinc/28/65/66/780286566.db2.gz ZEYRPXSLCFYPDG-VIFPVBQESA-N 2 0 258.322 -1.974 20 0 CAADRP O=C(CNC(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2)NC1CCCC1 ZINC001219975137 780286723 /nfs/dbraw/zinc/28/67/23/780286723.db2.gz OSOXXBVKLIYTAY-NSHDSACASA-N 2 0 280.372 -1.030 20 0 CAADRP COC(=O)C1(NC(=O)[C@@H]2C[C@@H]([NH3+])CN2)CC[NH2+]CC1 ZINC001220001225 780287111 /nfs/dbraw/zinc/28/71/11/780287111.db2.gz MFYOWMMXISTPHS-BDAKNGLRSA-N 2 0 270.333 -1.913 20 0 CAADRP COC(=O)C1(NC(=O)[C@@H]([NH3+])Cc2cnc[nH]2)CC[NH2+]CC1 ZINC001219998837 780287132 /nfs/dbraw/zinc/28/71/32/780287132.db2.gz CRULLMDIGZXNKA-JTQLQIEISA-N 2 0 295.343 -1.309 20 0 CAADRP COC(=O)C1(NC(=O)[C@H]2[NH2+]CC[C@H]2O)CC[NH2+]CC1 ZINC001220001005 780287182 /nfs/dbraw/zinc/28/71/82/780287182.db2.gz CFFCWDPLAJQJNG-BDAKNGLRSA-N 2 0 271.317 -1.879 20 0 CAADRP COC(=O)C1(NC(=O)CNCC[NH3+])CC[NH2+]CC1 ZINC001220001101 780287577 /nfs/dbraw/zinc/28/75/77/780287577.db2.gz HRPKJYHQPJUFLT-UHFFFAOYSA-N 2 0 258.322 -2.054 20 0 CAADRP COC(=O)C1(NC(=O)[C@@H]([NH3+])C2CC[NH2+]CC2)CC[NH2+]CC1 ZINC001220001633 780288170 /nfs/dbraw/zinc/28/81/70/780288170.db2.gz TZUSHDUSPWUENF-NSHDSACASA-N 3 0 298.387 -1.275 20 0 CAADRP COC(=O)C1(NC(=O)[C@@H]2C[NH2+]C[C@H]2O)CC[NH2+]CC1 ZINC001220001601 780288250 /nfs/dbraw/zinc/28/82/50/780288250.db2.gz SVRIUCSSRZOIRX-RKDXNWHRSA-N 2 0 271.317 -2.022 20 0 CAADRP Cn1c(NC(=O)[C@H]([NH3+])CCC[NH3+])c(N=O)c(=O)[nH]c1=O ZINC001219984409 780288326 /nfs/dbraw/zinc/28/83/26/780288326.db2.gz INGGRCPHSCQBNU-RXMQYKEDSA-N 2 0 284.276 -1.112 20 0 CAADRP CN1C[C@H](NC(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)CCC1=O ZINC001220006805 780288927 /nfs/dbraw/zinc/28/89/27/780288927.db2.gz CVQAUZHUZXDOHC-NXEZZACHSA-N 2 0 266.345 -1.468 20 0 CAADRP CN1C[C@@H](NC(=O)[C@@H]([NH3+])CSCC[NH3+])CCC1=O ZINC001220006708 780289083 /nfs/dbraw/zinc/28/90/83/780289083.db2.gz AEOICXWQMUXDLC-IUCAKERBSA-N 2 0 274.390 -1.257 20 0 CAADRP CN1C[C@H](NC(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)CCC1=O ZINC001220006811 780289760 /nfs/dbraw/zinc/28/97/60/780289760.db2.gz CVQAUZHUZXDOHC-ZJUUUORDSA-N 2 0 266.345 -1.468 20 0 CAADRP CN1C[C@H](NC(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)CCC1=O ZINC001220007595 780289949 /nfs/dbraw/zinc/28/99/49/780289949.db2.gz QGZUFQZCQXXJQU-JTNHKYCSSA-N 2 0 280.372 -1.078 20 0 CAADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)NCc1cncnc1 ZINC001220007140 780290010 /nfs/dbraw/zinc/29/00/10/780290010.db2.gz IYCQGMNZLXYTKY-LBPRGKRZSA-N 2 0 278.360 -1.157 20 0 CAADRP O=C(NC1(CO)CCOCC1)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001220018624 780290606 /nfs/dbraw/zinc/29/06/06/780290606.db2.gz LEQSSERUGNADSZ-BXUZGUMPSA-N 2 0 283.372 -1.157 20 0 CAADRP N=c1cc(C[NH3+])ncn1C(=O)[C@H]([NH3+])C1CC[NH2+]CC1 ZINC001220020248 780290627 /nfs/dbraw/zinc/29/06/27/780290627.db2.gz BYFPMTYDKNYKOE-LLVKDONJSA-N 3 0 264.333 -1.212 20 0 CAADRP N=c1cc(C[NH3+])ncn1C(=O)CN1CCCC[C@H]([NH3+])C1=O ZINC001220020427 780290909 /nfs/dbraw/zinc/29/09/09/780290909.db2.gz HZVRTUIRTYAYPX-JTQLQIEISA-N 2 0 292.343 -1.199 20 0 CAADRP [NH3+]CCSC[C@H]([NH3+])C(=O)NC1(CO)CCOCC1 ZINC001220018591 780290927 /nfs/dbraw/zinc/29/09/27/780290927.db2.gz JVEJZVSDZIVBFB-VIFPVBQESA-N 2 0 277.390 -1.337 20 0 CAADRP CC[C@H](C)[C@H]([NH3+])C(=O)NCC(=O)n1cnc(C[NH3+])cc1=N ZINC001220020306 780291002 /nfs/dbraw/zinc/29/10/02/780291002.db2.gz DLZRSBDCDUYOHO-UFBFGSQYSA-N 2 0 294.359 -1.049 20 0 CAADRP N=c1cc(C[NH3+])ncn1C(=O)C1(N)CC[NH2+]CC1 ZINC001220020288 780291187 /nfs/dbraw/zinc/29/11/87/780291187.db2.gz DATDMVLGPQNQIQ-UHFFFAOYSA-N 2 0 250.306 -1.458 20 0 CAADRP CN1CC(NC(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)C1 ZINC001220013114 780291338 /nfs/dbraw/zinc/29/13/38/780291338.db2.gz JEWZKIZELXJADD-NSHDSACASA-N 2 0 255.366 -1.833 20 0 CAADRP N=c1cc(C[NH3+])ncn1C(=O)[C@@]12C[NH2+]C[C@@H]1CCN2 ZINC001220020674 780291397 /nfs/dbraw/zinc/29/13/97/780291397.db2.gz RDWCSJZLWLTORC-QPUJVOFHSA-N 2 0 262.317 -1.587 20 0 CAADRP N=c1cc(C[NH3+])ncn1C(=O)[C@@H]1CCCN1C(=O)C[NH3+] ZINC001220020455 780291579 /nfs/dbraw/zinc/29/15/79/780291579.db2.gz JCPPQRBCTDHYQS-VIFPVBQESA-N 2 0 278.316 -1.589 20 0 CAADRP N=c1cc(C[NH3+])ncn1C(=O)C[C@H]1COCC[NH2+]1 ZINC001220020445 780291718 /nfs/dbraw/zinc/29/17/18/780291718.db2.gz IMHXKKRRUGOMCN-VIFPVBQESA-N 2 0 251.290 -1.160 20 0 CAADRP [NH3+][C@H](C(=O)NC1(CO)CCOCC1)C1CC[NH2+]CC1 ZINC001220018690 780292100 /nfs/dbraw/zinc/29/21/00/780292100.db2.gz OENYBQQGXSKTCH-NSHDSACASA-N 2 0 271.361 -1.029 20 0 CAADRP CCOC(=O)c1nnc(CNC(=O)[C@H]([NH3+])CCC[NH3+])o1 ZINC001220011393 780291997 /nfs/dbraw/zinc/29/19/97/780291997.db2.gz WEPILDHQRNSXRS-SSDOTTSWSA-N 2 0 285.304 -1.071 20 0 CAADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)NC[C@@H]1CCOC1 ZINC001220020509 780292027 /nfs/dbraw/zinc/29/20/27/780292027.db2.gz LJNBVDGZRHIPFL-JQWIXIFHSA-N 2 0 270.377 -1.111 20 0 CAADRP N=c1cc(C[NH3+])ncn1C(=O)CNC1CC[NH2+]CC1 ZINC001220020608 780292807 /nfs/dbraw/zinc/29/28/07/780292807.db2.gz PARPWCXVNRFNME-UHFFFAOYSA-N 2 0 264.333 -1.197 20 0 CAADRP N=c1cc(C[NH3+])ncn1C(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220020540 780292835 /nfs/dbraw/zinc/29/28/35/780292835.db2.gz MIQJNRFCTJDHLK-VIFPVBQESA-N 3 0 262.317 -1.730 20 0 CAADRP O=C(N[C@@H]1CCC(=O)NC1=O)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001220027755 780292887 /nfs/dbraw/zinc/29/28/87/780292887.db2.gz CYFDAMHBDWULIT-ZJUUUORDSA-N 2 0 294.355 -1.218 20 0 CAADRP N=c1cc(C[NH3+])ncn1C(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1 ZINC001220020535 780292965 /nfs/dbraw/zinc/29/29/65/780292965.db2.gz MEGAJJLLEWREBR-UJNFCWOMSA-N 2 0 262.317 -1.589 20 0 CAADRP N=c1cc(C[NH3+])ncn1C(=O)[C@]12C[NH2+]C[C@H]1CCN2 ZINC001220020672 780293008 /nfs/dbraw/zinc/29/30/08/780293008.db2.gz RDWCSJZLWLTORC-PELKAZGASA-N 2 0 262.317 -1.587 20 0 CAADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)NC[C@H]1CCOC1 ZINC001220020511 780293052 /nfs/dbraw/zinc/29/30/52/780293052.db2.gz LJNBVDGZRHIPFL-ZYHUDNBSSA-N 2 0 270.377 -1.111 20 0 CAADRP N=c1sc2c(n1C(=O)[C@@H](N)C[NH3+])CC[C@H]([NH3+])C2 ZINC001220023140 780293476 /nfs/dbraw/zinc/29/34/76/780293476.db2.gz ROQBQVKJMFKNSC-WDSKDSINSA-N 2 0 255.347 -1.229 20 0 CAADRP C[NH+](C)CCCC[C@H]([NH3+])C(=O)N[C@@H]1CCC(=O)NC1=O ZINC001220028631 780293942 /nfs/dbraw/zinc/29/39/42/780293942.db2.gz ZSMZCHFTUFLHPC-VHSXEESVSA-N 2 0 284.360 -1.033 20 0 CAADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N[C@H]1CCC(=O)NC1=O ZINC001220028507 780293974 /nfs/dbraw/zinc/29/39/74/780293974.db2.gz VJSKTDZZOSSNEM-YUMQZZPRSA-N 2 0 256.306 -1.636 20 0 CAADRP [NH3+][C@H](C(=O)N[C@@H]1CCC(=O)NC1=O)C1CC[NH2+]CC1 ZINC001220030316 780294222 /nfs/dbraw/zinc/29/42/22/780294222.db2.gz BUDOPLGVLSTHBT-SCZZXKLOSA-N 2 0 268.317 -1.765 20 0 CAADRP [NH3+]CCSC[C@H]([NH3+])C(=O)N[C@@H]1CCC(=O)NC1=O ZINC001220030341 780294431 /nfs/dbraw/zinc/29/44/31/780294431.db2.gz CPZCMYGRTGYDHP-NKWVEPMBSA-N 2 0 274.346 -2.073 20 0 CAADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N[C@@H]1CCC(=O)NC1=O ZINC001220028506 780294728 /nfs/dbraw/zinc/29/47/28/780294728.db2.gz VJSKTDZZOSSNEM-JGVFFNPUSA-N 2 0 256.306 -1.636 20 0 CAADRP CC(C)(CNC(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2)C(N)=O ZINC001220032960 780295913 /nfs/dbraw/zinc/29/59/13/780295913.db2.gz FPHBCPMQDGRHAG-NOZJJQNGSA-N 2 0 268.361 -1.187 20 0 CAADRP Cc1ncc(C[NH3+])c(=N)n1C(=O)CN1CC[NH2+]CC1 ZINC001220043391 780297004 /nfs/dbraw/zinc/29/70/04/780297004.db2.gz POTLHLPFEPFDHM-UHFFFAOYSA-N 2 0 264.333 -1.325 20 0 CAADRP C[NH2+]CCNC(=O)[C@H]1Cn2nnnc2C12CC[NH2+]CC2 ZINC001220051255 780297023 /nfs/dbraw/zinc/29/70/23/780297023.db2.gz QWHWSQJMGSYHBS-SECBINFHSA-N 2 0 279.348 -1.740 20 0 CAADRP Cc1ncc(C[NH3+])c(=N)n1C(=O)[C@H]1C[NH2+]C[C@H]1O ZINC001220043613 780297225 /nfs/dbraw/zinc/29/72/25/780297225.db2.gz ZAJRVCKAHMTBAU-DTWKUNHWSA-N 2 0 251.290 -1.650 20 0 CAADRP Cc1ncc(C[NH3+])c(=N)n1C(=O)[C@H]1C[NH2+]C[C@@H]1N ZINC001220043455 780297341 /nfs/dbraw/zinc/29/73/41/780297341.db2.gz RYAGFEGYIMPIFO-IUCAKERBSA-N 2 0 250.306 -1.683 20 0 CAADRP Cc1ncc(C[NH3+])c(=N)n1C(=O)[C@@]1(N)CC[NH2+]C1 ZINC001220043551 780297371 /nfs/dbraw/zinc/29/73/71/780297371.db2.gz WGYARXATGJKMNY-LLVKDONJSA-N 2 0 250.306 -1.539 20 0 CAADRP Cc1ncc(C[NH3+])c(=N)n1C(=O)[C@]12C[NH2+]C[C@H]1CCN2 ZINC001220043490 780297459 /nfs/dbraw/zinc/29/74/59/780297459.db2.gz UNJASMKMZFIWCY-MFKMUULPSA-N 2 0 276.344 -1.279 20 0 CAADRP Cc1ncc(C[NH3+])c(=N)n1C(=O)[C@@H]1C[NH2+]C[C@H]1O ZINC001220043615 780297520 /nfs/dbraw/zinc/29/75/20/780297520.db2.gz ZAJRVCKAHMTBAU-RKDXNWHRSA-N 2 0 251.290 -1.650 20 0 CAADRP Cc1ncc(C[NH3+])c(=N)n1C(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001220043611 780297557 /nfs/dbraw/zinc/29/75/57/780297557.db2.gz YZVGOKNENWFTQL-BXUZGUMPSA-N 3 0 290.371 -1.031 20 0 CAADRP Cc1ncc(C[NH3+])c(=N)n1C(=O)[C@H]1COC2(C[NH2+]C2)CN1 ZINC001220043205 780297732 /nfs/dbraw/zinc/29/77/32/780297732.db2.gz JFFMGRHKOPLZMU-SNVBAGLBSA-N 2 0 292.343 -1.900 20 0 CAADRP Cc1ncc(C[NH3+])c(=N)n1C(=O)[C@]12C[NH2+]C[C@@H]1CCN2 ZINC001220043488 780297810 /nfs/dbraw/zinc/29/78/10/780297810.db2.gz UNJASMKMZFIWCY-GWCFXTLKSA-N 2 0 276.344 -1.279 20 0 CAADRP C[NH2+]CCNC(=O)[C@@H]1Cn2nnnc2C12CC[NH2+]CC2 ZINC001220051256 780297859 /nfs/dbraw/zinc/29/78/59/780297859.db2.gz QWHWSQJMGSYHBS-VIFPVBQESA-N 2 0 279.348 -1.740 20 0 CAADRP Cc1ncc(C[NH3+])c(=N)n1C(=O)[C@@H]1COC2(C[NH2+]C2)CN1 ZINC001220043204 780297875 /nfs/dbraw/zinc/29/78/75/780297875.db2.gz JFFMGRHKOPLZMU-JTQLQIEISA-N 2 0 292.343 -1.900 20 0 CAADRP Cc1ncc(C[NH3+])c(=N)n1C(=O)[C@@H]([NH3+])CC[S@@](C)=O ZINC001220043516 780297920 /nfs/dbraw/zinc/29/79/20/780297920.db2.gz VCBMRRZHWARTGL-ZRNGKTOUSA-N 2 0 285.373 -1.134 20 0 CAADRP C[NH2+]CCNC(=O)[C@@H]1COC(C)(C)N1C(=O)[C@H](C)[NH3+] ZINC001220056089 780298458 /nfs/dbraw/zinc/29/84/58/780298458.db2.gz LGMLBGSGKYZKHB-IUCAKERBSA-N 2 0 272.349 -1.367 20 0 CAADRP C[NH2+]CCNC(=O)[C@H]1CCS(=O)(=O)C12C[NH2+]C2 ZINC001220052907 780298774 /nfs/dbraw/zinc/29/87/74/780298774.db2.gz IWMFWGJSKRUHIN-MRVPVSSYSA-N 2 0 261.347 -1.901 20 0 CAADRP C[NH2+]CCNC(=O)CC[NH+]1CCC(C(N)=O)CC1 ZINC001220053174 780299352 /nfs/dbraw/zinc/29/93/52/780299352.db2.gz XIYVRQKNYLXJMS-UHFFFAOYSA-N 2 0 256.350 -1.091 20 0 CAADRP C[NH2+]CCNC(=O)[C@@H]([NH3+])Cc1ccc(C(N)=O)cc1 ZINC001220054521 780299358 /nfs/dbraw/zinc/29/93/58/780299358.db2.gz GLOMZDLGMRQYOH-NSHDSACASA-N 2 0 264.329 -1.009 20 0 CAADRP C[NH2+]CCNC(=O)[C@H]1C[N@H+](C)CC2(CC[NH2+]CC2)O1 ZINC001220052761 780299389 /nfs/dbraw/zinc/29/93/89/780299389.db2.gz AQRSPKBLGNELJW-LLVKDONJSA-N 3 0 270.377 -1.225 20 0 CAADRP C[NH2+]CCNC(=O)CN(CC[NH3+])S(C)(=O)=O ZINC001220053137 780299508 /nfs/dbraw/zinc/29/95/08/780299508.db2.gz VGTOZGSDTKYOFK-UHFFFAOYSA-N 2 0 252.340 -2.458 20 0 CAADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)NCCc1cc[nH]n1 ZINC001220061652 780299544 /nfs/dbraw/zinc/29/95/44/780299544.db2.gz BHERRCWPGPBRHX-GFCCVEGCSA-N 2 0 280.376 -1.181 20 0 CAADRP C[NH2+]CCCCNC(=O)CN(CC[NH3+])S(C)(=O)=O ZINC001220077224 780300799 /nfs/dbraw/zinc/30/07/99/780300799.db2.gz AONZDWJABAMDBD-UHFFFAOYSA-N 2 0 280.394 -1.678 20 0 CAADRP C[NH2+]CCCCNC(=O)[C@@H]1COC2(C[NH2+]C2)CN1 ZINC001220077430 780300899 /nfs/dbraw/zinc/30/08/99/780300899.db2.gz JCNNIEDNOLVKSC-JTQLQIEISA-N 2 0 256.350 -1.567 20 0 CAADRP N=C(NC(=O)[C@H]1C[NH2+]CC12C[NH2+]C2)SCC[NH3+] ZINC001220106709 780301293 /nfs/dbraw/zinc/30/12/93/780301293.db2.gz YXMLNMGALCTAAJ-SSDOTTSWSA-N 3 0 257.363 -1.462 20 0 CAADRP C[S@](=O)CC[C@H]([NH3+])C(=O)NC(=N)SCC[NH3+] ZINC001220106420 780301382 /nfs/dbraw/zinc/30/13/82/780301382.db2.gz MMQAGPUUYFBAAU-MUCOVADDSA-N 2 0 266.392 -1.175 20 0 CAADRP C[NH2+]CCCCNC(=O)[C@H]([NH3+])CCCNC(N)=O ZINC001220077217 780301505 /nfs/dbraw/zinc/30/15/05/780301505.db2.gz AGBANJKOYFWJQJ-SECBINFHSA-N 2 0 259.354 -1.122 20 0 CAADRP C[NH2+]CCCCNC(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001220079365 780301548 /nfs/dbraw/zinc/30/15/48/780301548.db2.gz INNLKKHCGZXTFQ-GFCCVEGCSA-N 3 0 271.409 -1.147 20 0 CAADRP [NH3+]CCSC[C@H]([NH3+])C(=O)NC[C@@H]1CNC(=O)C1 ZINC001220202542 780320518 /nfs/dbraw/zinc/32/05/18/780320518.db2.gz FPINGMXIICNAQD-YUMQZZPRSA-N 2 0 260.363 -1.742 20 0 CAADRP NC(=[NH2+])N(CCCC[NH3+])C(=O)[C@H](N)C1CC[NH2+]CC1 ZINC001220103610 780302219 /nfs/dbraw/zinc/30/22/19/780302219.db2.gz ZATAZRULTSSBBR-SNVBAGLBSA-N 3 0 270.381 -1.226 20 0 CAADRP NC(=[NH2+])N(CCCC[NH3+])C(=O)[C@@H](N)Cc1c[nH]cn1 ZINC001220101512 780302285 /nfs/dbraw/zinc/30/22/85/780302285.db2.gz QXCKHHBXERZXHY-VIFPVBQESA-N 2 0 267.337 -1.260 20 0 CAADRP NC(=[NH2+])N(CCCC[NH3+])C(=O)Cn1cccc(N)c1=O ZINC001220103070 780302296 /nfs/dbraw/zinc/30/22/96/780302296.db2.gz FKCJVBHAFPAIDW-UHFFFAOYSA-N 2 0 280.332 -1.109 20 0 CAADRP NC(=[NH2+])N(CCCC[NH3+])C(=O)[C@@H](N)C1CC[NH2+]CC1 ZINC001220103609 780302394 /nfs/dbraw/zinc/30/23/94/780302394.db2.gz ZATAZRULTSSBBR-JTQLQIEISA-N 3 0 270.381 -1.226 20 0 CAADRP NC(=[NH2+])N(CCCC[NH3+])C(=O)[C@H]1COC2(C[NH2+]C2)CN1 ZINC001220101715 780302441 /nfs/dbraw/zinc/30/24/41/780302441.db2.gz ZCOJGWCQPQPACG-SECBINFHSA-N 3 0 284.364 -2.222 20 0 CAADRP NC(=[NH2+])N(CCCC[NH3+])C(=O)CN1CCCC[C@H]([NH3+])C1=O ZINC001220103351 780302642 /nfs/dbraw/zinc/30/26/42/780302642.db2.gz OZEGWJWSRMNEIS-JTQLQIEISA-N 3 0 298.391 -1.213 20 0 CAADRP NC(=[NH2+])N(CCCC[NH3+])C(=O)[C@]12C[NH2+]C[C@H]1CCN2 ZINC001220101659 780302813 /nfs/dbraw/zinc/30/28/13/780302813.db2.gz WQYUAVMSRUXJPD-SKDRFNHKSA-N 3 0 268.365 -1.601 20 0 CAADRP NC(=[NH2+])N(CCCC[NH3+])C(=O)[C@@]12C[NH2+]C[C@@H]1CCN2 ZINC001220101658 780302835 /nfs/dbraw/zinc/30/28/35/780302835.db2.gz WQYUAVMSRUXJPD-JOYOIKCWSA-N 3 0 268.365 -1.601 20 0 CAADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)N[C@@H]1CCC[C@@H]1O ZINC001220099271 780302962 /nfs/dbraw/zinc/30/29/62/780302962.db2.gz IHJPAQSWSTWPRF-TUAOUCFPSA-N 2 0 270.377 -1.234 20 0 CAADRP NC(=[NH2+])N(CCCC[NH3+])C(=O)[C@@H](N)CCCC[NH3+] ZINC001220103207 780303050 /nfs/dbraw/zinc/30/30/50/780303050.db2.gz KJDZYMSVDPCQBK-VIFPVBQESA-N 3 0 258.370 -1.096 20 0 CAADRP NC(=[NH2+])N(CCCC[NH3+])C(=O)[C@H](N)Cc1c[nH]cn1 ZINC001220101511 780303095 /nfs/dbraw/zinc/30/30/95/780303095.db2.gz QXCKHHBXERZXHY-SECBINFHSA-N 2 0 267.337 -1.260 20 0 CAADRP N=C(NC(=O)[C@@]12C[NH2+]C[C@H]1CCN2)SCC[NH3+] ZINC001220106044 780303718 /nfs/dbraw/zinc/30/37/18/780303718.db2.gz ABEZCMFLYUYXCK-GMSGAONNSA-N 2 0 257.363 -1.319 20 0 CAADRP N=C(NC(=O)[C@]12C[NH2+]C[C@H]1CCN2)SCC[NH3+] ZINC001220106046 780304607 /nfs/dbraw/zinc/30/46/07/780304607.db2.gz ABEZCMFLYUYXCK-XCBNKYQSSA-N 2 0 257.363 -1.319 20 0 CAADRP C[N@@H+]1CCCN(CCNC(=O)C[C@@H](O)C[NH3+])CC1 ZINC001220304191 780333156 /nfs/dbraw/zinc/33/31/56/780333156.db2.gz TVWLGXYAPIZWFY-LLVKDONJSA-N 2 0 258.366 -1.550 20 0 CAADRP CCC(CO)(CO)NC(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001220111266 780306270 /nfs/dbraw/zinc/30/62/70/780306270.db2.gz NTSZGBPBUXRHAF-NSHDSACASA-N 2 0 288.392 -2.014 20 0 CAADRP CS(=O)(=O)[C@H]1C[C@H](NC(=O)[C@H]([NH3+])CCC[NH3+])C1 ZINC001220138639 780309325 /nfs/dbraw/zinc/30/93/25/780309325.db2.gz BIFSRIOQQXRIHW-IWSPIJDZSA-N 2 0 263.363 -1.256 20 0 CAADRP CS(=O)(=O)[C@H]1C[C@H](NC(=O)[C@@H]([NH3+])CSCC[NH3+])C1 ZINC001220141023 780310192 /nfs/dbraw/zinc/31/01/92/780310192.db2.gz FARAHSXJMJFYEK-CIUDSAMLSA-N 2 0 295.430 -1.303 20 0 CAADRP O=C(NC1CC2(C1)CS(=O)(=O)C2)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220143508 780310663 /nfs/dbraw/zinc/31/06/63/780310663.db2.gz KXDVQBDNWXRWHY-SNVBAGLBSA-N 2 0 299.396 -1.511 20 0 CAADRP CS(=O)(=O)N1CC(NC(=O)[C@@H]([NH3+])CCC[NH3+])C1 ZINC001220145454 780311122 /nfs/dbraw/zinc/31/11/22/780311122.db2.gz CPANYIXMBIQQGW-QMMMGPOBSA-N 2 0 264.351 -2.187 20 0 CAADRP CS(=O)(=O)N1CC(NC(=O)[C@@H]([NH3+])C2CC[NH2+]CC2)C1 ZINC001220145911 780311994 /nfs/dbraw/zinc/31/19/94/780311994.db2.gz VZEAIRVYXSUESZ-JTQLQIEISA-N 2 0 290.389 -1.927 20 0 CAADRP O=C(NC1CC(CO)(CO)C1)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220151882 780312016 /nfs/dbraw/zinc/31/20/16/780312016.db2.gz LAIWMSAAIGDXKG-SNVBAGLBSA-N 2 0 269.345 -1.955 20 0 CAADRP O=C(NC1CC(CO)(CO)C1)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220151881 780312025 /nfs/dbraw/zinc/31/20/25/780312025.db2.gz LAIWMSAAIGDXKG-JTQLQIEISA-N 2 0 269.345 -1.955 20 0 CAADRP NC(=O)NCCC[C@@H]([NH3+])C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC001220149895 780312034 /nfs/dbraw/zinc/31/20/34/780312034.db2.gz HGJAIWIGGGHIMN-HRDYMLBCSA-N 2 0 257.338 -1.384 20 0 CAADRP O=C(NC1CC(CO)(CO)C1)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001220152105 780312478 /nfs/dbraw/zinc/31/24/78/780312478.db2.gz UQMLOXHKOLANSF-QMTHXVAHSA-N 2 0 283.372 -1.565 20 0 CAADRP CS(=O)(=O)N(CC[NH3+])CC(=O)NC1(C[NH3+])COC1 ZINC001220154360 780313487 /nfs/dbraw/zinc/31/34/87/780313487.db2.gz QXKXWUOGKRLNLN-UHFFFAOYSA-N 2 0 280.350 -2.949 20 0 CAADRP C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC001220152095 780312683 /nfs/dbraw/zinc/31/26/83/780312683.db2.gz UCBVNHABYQFDFK-MAUMQABQSA-N 2 0 258.322 -2.336 20 0 CAADRP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H]1CCC[N@H+](C)C1 ZINC001220159932 780313493 /nfs/dbraw/zinc/31/34/93/780313493.db2.gz SNCNPZYFQGFOPI-GUBZILKMSA-N 2 0 299.375 -2.096 20 0 CAADRP [NH3+]CC1(NC(=O)[C@H]2CCC3(CC[NH2+]CC3)[NH2+]2)COC1 ZINC001220154203 780313637 /nfs/dbraw/zinc/31/36/37/780313637.db2.gz OEEWTRUSICEFSK-SNVBAGLBSA-N 3 0 268.361 -1.296 20 0 CAADRP [NH3+]CC1(NC(=O)CN2CCCC[C@H]([NH3+])C2=O)COC1 ZINC001220154644 780313685 /nfs/dbraw/zinc/31/36/85/780313685.db2.gz VYLFUIKCUMRNCW-VIFPVBQESA-N 2 0 270.333 -1.830 20 0 CAADRP [NH3+]CC1(NC(=O)[C@@H]([NH3+])C2CCC(O)CC2)COC1 ZINC001220154566 780314005 /nfs/dbraw/zinc/31/40/05/780314005.db2.gz UVXSRAIFPIOVEJ-RTBKNWGFSA-N 2 0 257.334 -1.291 20 0 CAADRP [NH3+]CC1(NC(=O)[C@@H]2CCCN([C@H]3CC[NH2+]C3)C2)COC1 ZINC001220154423 780314034 /nfs/dbraw/zinc/31/40/34/780314034.db2.gz UBOPXCUOCDDINM-NEPJUHHUSA-N 2 0 282.388 -1.096 20 0 CAADRP [NH3+]CCSC[C@H]([NH3+])C(=O)NC1(CCO)COC1 ZINC001220172850 780314464 /nfs/dbraw/zinc/31/44/64/780314464.db2.gz CNQGKVFQKZCJPF-QMMMGPOBSA-N 2 0 263.363 -1.727 20 0 CAADRP [NH3+]CC1(NC(=O)[C@@H]2CCCN([C@@H]3CC[NH2+]C3)C2)COC1 ZINC001220154426 780314688 /nfs/dbraw/zinc/31/46/88/780314688.db2.gz UBOPXCUOCDDINM-VXGBXAGGSA-N 2 0 282.388 -1.096 20 0 CAADRP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)NC1(C[NH3+])COC1 ZINC001220156895 780314758 /nfs/dbraw/zinc/31/47/58/780314758.db2.gz PGHHQJAPYUUYAM-BQBZGAKWSA-N 2 0 287.320 -3.462 20 0 CAADRP [NH3+][C@H](C(=O)NC1(CCO)COC1)C1CC[NH2+]CC1 ZINC001220172956 780315571 /nfs/dbraw/zinc/31/55/71/780315571.db2.gz FUDLZXFEQWOJQD-JTQLQIEISA-N 2 0 257.334 -1.419 20 0 CAADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)NC1(CCO)COC1 ZINC001220173029 780315603 /nfs/dbraw/zinc/31/56/03/780315603.db2.gz HAPHYECIXIIUMG-NSHDSACASA-N 2 0 286.376 -1.996 20 0 CAADRP [NH3+][C@@H](C(=O)NC1(CCO)COC1)C1CC[NH2+]CC1 ZINC001220172957 780316005 /nfs/dbraw/zinc/31/60/05/780316005.db2.gz FUDLZXFEQWOJQD-SNVBAGLBSA-N 2 0 257.334 -1.419 20 0 CAADRP [NH3+]CCC[C@H]([NH3+])C(=O)N[C@@H]1COCCC12OCCO2 ZINC001220170797 780316292 /nfs/dbraw/zinc/31/62/92/780316292.db2.gz VAWAHZIUIJSNLU-VHSXEESVSA-N 2 0 273.333 -1.299 20 0 CAADRP [NH3+][C@H](C(=O)N[C@H]1COCC[C@@H]1O)C1CC[NH2+]CC1 ZINC001220181483 780316970 /nfs/dbraw/zinc/31/69/70/780316970.db2.gz QGXCNMWSYZEWJP-DCAQKATOSA-N 2 0 257.334 -1.421 20 0 CAADRP O=C(N[C@H]1COCC[C@@H]1O)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220181658 780317062 /nfs/dbraw/zinc/31/70/62/780317062.db2.gz XQVIPYGGFGZPMN-GUBZILKMSA-N 2 0 255.318 -1.939 20 0 CAADRP [NH3+]CCSC[C@H]([NH3+])C(=O)N[C@H]1COCC[C@@H]1O ZINC001220181598 780317110 /nfs/dbraw/zinc/31/71/10/780317110.db2.gz WCAOOJTWWJSBCB-CIUDSAMLSA-N 2 0 263.363 -1.728 20 0 CAADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)N[C@H]1COCC[C@@H]1O ZINC001220181505 780317536 /nfs/dbraw/zinc/31/75/36/780317536.db2.gz RBLKMCYNYNPKQN-SRVKXCTJSA-N 2 0 286.376 -1.997 20 0 CAADRP C=CC(=O)NCCNC(=O)[C@@H]([NH3+])CSCC[NH3+] ZINC001220396699 780345506 /nfs/dbraw/zinc/34/55/06/780345506.db2.gz ITLCRSSZOWNCAH-QMMMGPOBSA-N 2 0 260.363 -1.576 20 0 CAADRP O=C(NC[C@H]1CNC(=O)C1)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220203063 780319869 /nfs/dbraw/zinc/31/98/69/780319869.db2.gz UUCRYDLVGAKTCL-RKDXNWHRSA-N 2 0 252.318 -1.952 20 0 CAADRP CCOC(=O)CC1(NC(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)COC1 ZINC001220215278 780319932 /nfs/dbraw/zinc/31/99/32/780319932.db2.gz PSAUBDSAEUNGFF-SNVBAGLBSA-N 2 0 297.355 -1.366 20 0 CAADRP CCOC(=O)CC1(NC(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)COC1 ZINC001220215277 780319967 /nfs/dbraw/zinc/31/99/67/780319967.db2.gz PSAUBDSAEUNGFF-JTQLQIEISA-N 2 0 297.355 -1.366 20 0 CAADRP [NH3+][C@@H](C(=O)NC[C@@H]1CNC(=O)C1)C1CC[NH2+]CC1 ZINC001220202838 780320179 /nfs/dbraw/zinc/32/01/79/780320179.db2.gz LSZVAQJTZHHLPQ-GZMMTYOYSA-N 2 0 254.334 -1.434 20 0 CAADRP O=C(NC[C@@H]1CNC(=O)C1)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220203061 780320448 /nfs/dbraw/zinc/32/04/48/780320448.db2.gz UUCRYDLVGAKTCL-DTWKUNHWSA-N 2 0 252.318 -1.952 20 0 CAADRP [NH3+]CCSC[C@H]([NH3+])C(=O)NC[C@H]1CNC(=O)C1 ZINC001220202541 780320646 /nfs/dbraw/zinc/32/06/46/780320646.db2.gz FPINGMXIICNAQD-SFYZADRCSA-N 2 0 260.363 -1.742 20 0 CAADRP [NH3+][C@H](C(=O)NC[C@H]1CNC(=O)C1)C1CC[NH2+]CC1 ZINC001220202839 780320673 /nfs/dbraw/zinc/32/06/73/780320673.db2.gz LSZVAQJTZHHLPQ-KCJUWKMLSA-N 2 0 254.334 -1.434 20 0 CAADRP [NH3+][C@H](C(=O)NC[C@@H]1CNC(=O)C1)C1CC[NH2+]CC1 ZINC001220202840 780320718 /nfs/dbraw/zinc/32/07/18/780320718.db2.gz LSZVAQJTZHHLPQ-KWQFWETISA-N 2 0 254.334 -1.434 20 0 CAADRP C[NH+](C)CCCC(=O)N[C@@H]1C[N@H+](CCO)C[C@@H]1O ZINC001220238664 780323076 /nfs/dbraw/zinc/32/30/76/780323076.db2.gz ZKKPFRUMYQLNTM-MNOVXSKESA-N 2 0 259.350 -1.518 20 0 CAADRP C[C@@H](O)C[N@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C1 ZINC001220237454 780323492 /nfs/dbraw/zinc/32/34/92/780323492.db2.gz XARGVPHWKAVPLM-UTUOFQBUSA-N 2 0 273.377 -1.130 20 0 CAADRP CN1C[C@H](CNC(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)CC1=O ZINC001220245003 780324633 /nfs/dbraw/zinc/32/46/33/780324633.db2.gz CICMFKWLPUZEDQ-CMPLNLGQSA-N 2 0 297.403 -1.669 20 0 CAADRP CN1C[C@H](CNC(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)CC1=O ZINC001220245004 780325203 /nfs/dbraw/zinc/32/52/03/780325203.db2.gz CICMFKWLPUZEDQ-JQWIXIFHSA-N 2 0 297.403 -1.669 20 0 CAADRP CN1C[C@H](CNC(=O)[C@@H]([NH3+])CSCC[NH3+])CC1=O ZINC001220245318 780325438 /nfs/dbraw/zinc/32/54/38/780325438.db2.gz NJONLZQSIJCJGK-IUCAKERBSA-N 2 0 274.390 -1.400 20 0 CAADRP CN1C[C@H](CNC(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)CC1=O ZINC001220245156 780325561 /nfs/dbraw/zinc/32/55/61/780325561.db2.gz ICZYXONICZHBIF-MISXGVKJSA-N 2 0 280.372 -1.220 20 0 CAADRP CN1C[C@H](CNC(=O)[C@H]([NH3+])C2CC[NH2+]CC2)CC1=O ZINC001220245408 780325645 /nfs/dbraw/zinc/32/56/45/780325645.db2.gz QOBHJGMZTRDZJH-JOYOIKCWSA-N 2 0 268.361 -1.092 20 0 CAADRP CN1C[C@H](CNC(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)CC1=O ZINC001220245248 780325699 /nfs/dbraw/zinc/32/56/99/780325699.db2.gz LRQQUUITIYSEDN-UWVGGRQHSA-N 2 0 266.345 -1.610 20 0 CAADRP O=C(NCc1nc[nH]n1)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001220250360 780327102 /nfs/dbraw/zinc/32/71/02/780327102.db2.gz YPFOPEKJGAMEOG-LDYMZIIASA-N 2 0 250.306 -1.380 20 0 CAADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)NCc1nc[nH]n1 ZINC001220249823 780327126 /nfs/dbraw/zinc/32/71/26/780327126.db2.gz CQKVHKKWGDHVST-VIFPVBQESA-N 2 0 267.337 -1.829 20 0 CAADRP CN(C)S(=O)(=O)CCNC(=O)C[C@@H]([NH3+])CCCC[NH3+] ZINC001220268485 780328117 /nfs/dbraw/zinc/32/81/17/780328117.db2.gz KWTPCDAZJHDBQD-JTQLQIEISA-N 2 0 294.421 -1.160 20 0 CAADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)NCCS(=O)(=O)N(C)C ZINC001220268493 780328142 /nfs/dbraw/zinc/32/81/42/780328142.db2.gz LCJSHNVIEDKYPH-JTQLQIEISA-N 2 0 294.421 -1.289 20 0 CAADRP [NH3+]CCN(C(=O)[C@H]1COC2(C[NH2+]C2)CN1)c1cccnc1 ZINC001220261030 780328182 /nfs/dbraw/zinc/32/81/82/780328182.db2.gz OTDSTSYYYLIMPS-GFCCVEGCSA-N 2 0 291.355 -1.296 20 0 CAADRP [NH3+]CCN(C(=O)[C@@H]1COC2(C[NH2+]C2)CN1)c1cccnc1 ZINC001220261031 780328274 /nfs/dbraw/zinc/32/82/74/780328274.db2.gz OTDSTSYYYLIMPS-LBPRGKRZSA-N 2 0 291.355 -1.296 20 0 CAADRP [NH3+]CCN(C(=O)[C@@H]1C[NH2+]C[C@@H]1O)c1cccnc1 ZINC001220263779 780328289 /nfs/dbraw/zinc/32/82/89/780328289.db2.gz XMLDOFXIZQYULT-MNOVXSKESA-N 2 0 250.302 -1.046 20 0 CAADRP CN(C)S(=O)(=O)CCNC(=O)[C@H]([NH3+])C1CC[NH2+]CC1 ZINC001220268375 780328403 /nfs/dbraw/zinc/32/84/03/780328403.db2.gz GADTVLBDOGPATL-SNVBAGLBSA-N 2 0 292.405 -1.679 20 0 CAADRP CN(C)S(=O)(=O)CCNC(=O)[C@@H]([NH3+])CSCC[NH3+] ZINC001220268232 780328493 /nfs/dbraw/zinc/32/84/93/780328493.db2.gz ABVACZNOMOLCJN-QMMMGPOBSA-N 2 0 298.434 -1.987 20 0 CAADRP COCC[N@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001220273521 780329605 /nfs/dbraw/zinc/32/96/05/780329605.db2.gz NADVSTDUSFDHPB-MNOVXSKESA-N 2 0 259.350 -1.254 20 0 CAADRP C[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@@H]1O ZINC001220275389 780329694 /nfs/dbraw/zinc/32/96/94/780329694.db2.gz WVYYDSQLPBJHJN-NEPJUHHUSA-N 2 0 289.376 -1.892 20 0 CAADRP Cn1cc(CCNC(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)cn1 ZINC001220276396 780329798 /nfs/dbraw/zinc/32/97/98/780329798.db2.gz JCMWVQJEGYEYIB-LLVKDONJSA-N 2 0 263.345 -1.112 20 0 CAADRP CC[C@H](C)[C@H]([NH3+])C(=O)NCC(=O)N[C@H]1CC[NH2+]C1 ZINC001220282486 780330413 /nfs/dbraw/zinc/33/04/13/780330413.db2.gz KMRXEDAEGRRFHK-QXEWZRGKSA-N 2 0 256.350 -1.046 20 0 CAADRP C[C@H](O)C[N@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001220277319 780330141 /nfs/dbraw/zinc/33/01/41/780330141.db2.gz VWNMJLUHVFPREX-AXFHLTTASA-N 2 0 259.350 -1.520 20 0 CAADRP NC(=O)CCNC(=O)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001220274618 780330231 /nfs/dbraw/zinc/33/02/31/780330231.db2.gz KWKJNVGXIWQOBO-VIFPVBQESA-N 2 0 254.334 -1.148 20 0 CAADRP C[N@@H+]1CCCN(CCNC(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3N2)CC1 ZINC001220303738 780331466 /nfs/dbraw/zinc/33/14/66/780331466.db2.gz BCGXQTPVFVVIFX-MELADBBJSA-N 3 0 295.431 -1.310 20 0 CAADRP C[N@@H+]1CCCN(CCNC(=O)CN2CC[NH2+]CC2)CC1 ZINC001220303785 780331512 /nfs/dbraw/zinc/33/15/12/780331512.db2.gz CMUFSKAOFYQWJF-UHFFFAOYSA-N 2 0 283.420 -1.355 20 0 CAADRP [NH3+]CCSC[C@H]([NH3+])C(=O)N[C@@H](CO)Cc1c[nH]cn1 ZINC001220291774 780331814 /nfs/dbraw/zinc/33/18/14/780331814.db2.gz XIEKZPSEAREVCP-ZJUUUORDSA-N 2 0 287.389 -1.552 20 0 CAADRP O=C(NCC1OCCO1)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001220289194 780331836 /nfs/dbraw/zinc/33/18/36/780331836.db2.gz VLAYCZSECIEVBD-BXKDBHETSA-N 2 0 255.318 -1.325 20 0 CAADRP [NH3+]CCC[C@@H]([NH3+])C(=O)N[C@@H](CO)Cc1c[nH]cn1 ZINC001220290980 780332032 /nfs/dbraw/zinc/33/20/32/780332032.db2.gz JCZNSVZBPKCBKN-NXEZZACHSA-N 2 0 255.322 -1.505 20 0 CAADRP O=C(NCc1ncn2c1C[NH2+]CCC2)[C@@H]1C[C@H](O)C[NH2+]1 ZINC001220312181 780333027 /nfs/dbraw/zinc/33/30/27/780333027.db2.gz YXJAWHFCXVUUMD-UWVGGRQHSA-N 2 0 279.344 -1.285 20 0 CAADRP [NH3+]CCC[NH2+]CC(=O)NCc1ncn2c1C[NH2+]CCC2 ZINC001220313742 780333167 /nfs/dbraw/zinc/33/31/67/780333167.db2.gz UFIPUXUCPKJZSI-UHFFFAOYSA-N 3 0 280.376 -1.069 20 0 CAADRP C[N@@H+]1CCCN(CCNC(=O)[C@@H]2C[C@H](O)C[NH2+]2)CC1 ZINC001220304312 780333248 /nfs/dbraw/zinc/33/32/48/780333248.db2.gz XTBYKBUIRUAARW-RYUDHWBXSA-N 2 0 270.377 -1.537 20 0 CAADRP O=C(NCc1ncn2c1C[NH2+]CCC2)[C@H]1[NH2+]CC[C@H]1O ZINC001220313360 780333273 /nfs/dbraw/zinc/33/32/73/780333273.db2.gz NKPVXMPGDDIMRK-NEPJUHHUSA-N 2 0 279.344 -1.285 20 0 CAADRP C[N@@H+]1CCCN(CCNC(=O)[C@@H](N)CC[NH3+])CC1 ZINC001220306797 780333311 /nfs/dbraw/zinc/33/33/11/780333311.db2.gz OWWWCGHRCMOLJX-NSHDSACASA-N 2 0 257.382 -1.584 20 0 CAADRP N[C@@H](C[NH3+])C(=O)NCc1ncn2c1C[NH2+]CCC2 ZINC001220312198 780333361 /nfs/dbraw/zinc/33/33/61/780333361.db2.gz ZIFVRNMKXCKWIY-QMMMGPOBSA-N 2 0 252.322 -1.721 20 0 CAADRP C[N@@H+]1CCCN(CCNC(=O)C2(N)CC[NH2+]CC2)CC1 ZINC001220307086 780333430 /nfs/dbraw/zinc/33/34/30/780333430.db2.gz RMKJUMXVQXIBJT-UHFFFAOYSA-N 2 0 283.420 -1.179 20 0 CAADRP C[N@@H+]1CCCN(CCNC(=O)[C@]23C[NH2+]C[C@H]2CCN3)CC1 ZINC001220304197 780333505 /nfs/dbraw/zinc/33/35/05/780333505.db2.gz TZRMLODVIODPHT-HIFRSBDPSA-N 2 0 295.431 -1.308 20 0 CAADRP C[N@@H+]1CCCN(CCNC(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)CC1 ZINC001220303991 780333523 /nfs/dbraw/zinc/33/35/23/780333523.db2.gz LHTPIXRVHAPZMD-CYBMUJFWSA-N 3 0 295.431 -1.451 20 0 CAADRP O=C(NCc1ncn2c1C[NH2+]CCC2)[C@@H]1C[NH2+]CCN1 ZINC001220313414 780333555 /nfs/dbraw/zinc/33/35/55/780333555.db2.gz POWTYCCPEANYRT-NSHDSACASA-N 2 0 278.360 -1.446 20 0 CAADRP C[N@@H+]1CCCN(CCNC(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)CC1 ZINC001220303992 780333659 /nfs/dbraw/zinc/33/36/59/780333659.db2.gz LHTPIXRVHAPZMD-ZDUSSCGKSA-N 3 0 295.431 -1.451 20 0 CAADRP C[N@@H+]1CCCN(CCNC(=O)[C@H]([NH3+])CCC[NH3+])CC1 ZINC001220304072 780333683 /nfs/dbraw/zinc/33/36/83/780333683.db2.gz OIBXZRHLLVVZQA-GFCCVEGCSA-N 3 0 271.409 -1.194 20 0 CAADRP N[C@@]1(C(=O)NCc2ncn3c2C[NH2+]CCC3)CC[NH2+]C1 ZINC001220312740 780333740 /nfs/dbraw/zinc/33/37/40/780333740.db2.gz DRWHITUQJBOHKT-ZDUSSCGKSA-N 2 0 278.360 -1.317 20 0 CAADRP O=C(N[C@@H]1CO[C@]2(C1)CCC[NH2+]C2)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220315392 780333824 /nfs/dbraw/zinc/33/38/24/780333824.db2.gz CCRRWYWJHPCPAB-ZOWXZIJZSA-N 3 0 294.399 -1.177 20 0 CAADRP C[N@@H+]1CCCN(CCNC(=O)[C@@]23CC[C@@H](N2)[C@H]([NH3+])C3)CC1 ZINC001220304125 780333840 /nfs/dbraw/zinc/33/38/40/780333840.db2.gz QOTJJFGVUSNXCF-NFAWXSAZSA-N 2 0 295.431 -1.038 20 0 CAADRP N[C@]1(C(=O)NCc2ncn3c2C[NH2+]CCC3)CC[NH2+]C1 ZINC001220312739 780334070 /nfs/dbraw/zinc/33/40/70/780334070.db2.gz DRWHITUQJBOHKT-CYBMUJFWSA-N 2 0 278.360 -1.317 20 0 CAADRP [NH3+][C@@H](C(=O)NC[C@H]1CNC(=O)CO1)C1CC[NH2+]CC1 ZINC001220316409 780334518 /nfs/dbraw/zinc/33/45/18/780334518.db2.gz PAJRFNNDSCBGBJ-MWLCHTKSSA-N 2 0 270.333 -2.056 20 0 CAADRP O=C(NC[C@H]1CNC(=O)CO1)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220317208 780334570 /nfs/dbraw/zinc/33/45/70/780334570.db2.gz WVBXOGSQYDHGMW-RKDXNWHRSA-N 2 0 268.317 -2.573 20 0 CAADRP [NH3+]C[C@H](O)CC(=O)N[C@H]1CO[C@@]2(C1)CCC[NH2+]C2 ZINC001220315733 780335089 /nfs/dbraw/zinc/33/50/89/780335089.db2.gz HSCXPMRRGFDUBJ-CKYFFXLPSA-N 2 0 257.334 -1.277 20 0 CAADRP [NH3+][C@@H](C(=O)NC[C@@H]1CNC(=O)CO1)C1CC[NH2+]CC1 ZINC001220316407 780335161 /nfs/dbraw/zinc/33/51/61/780335161.db2.gz PAJRFNNDSCBGBJ-GXSJLCMTSA-N 2 0 270.333 -2.056 20 0 CAADRP O=C(CN1CC[NH2+]CC1)N[C@H]1CO[C@@]2(C1)CCC[NH2+]C2 ZINC001220315967 780335455 /nfs/dbraw/zinc/33/54/55/780335455.db2.gz KYEUDWBFMPRROL-TZMCWYRMSA-N 2 0 282.388 -1.081 20 0 CAADRP O=C(N[C@H]1CO[C@@]2(C1)CCC[NH2+]C2)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1 ZINC001220315608 780335506 /nfs/dbraw/zinc/33/55/06/780335506.db2.gz FYTOYXSYZJYUEK-GGAZOKNXSA-N 2 0 294.399 -1.036 20 0 CAADRP O=C(CN1CC[NH2+]CC1)N[C@H]1CO[C@]2(C1)CCC[NH2+]C2 ZINC001220315966 780335550 /nfs/dbraw/zinc/33/55/50/780335550.db2.gz KYEUDWBFMPRROL-OCCSQVGLSA-N 2 0 282.388 -1.081 20 0 CAADRP O=C(N[C@@H]1CO[C@]2(C1)CCC[NH2+]C2)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1 ZINC001220315607 780335581 /nfs/dbraw/zinc/33/55/81/780335581.db2.gz FYTOYXSYZJYUEK-BAYHKCFCSA-N 2 0 294.399 -1.036 20 0 CAADRP O=C(N[C@H]1CO[C@]2(C1)CCC[NH2+]C2)[C@H]1[NH2+]CC[C@@H]1O ZINC001220318895 780336152 /nfs/dbraw/zinc/33/61/52/780336152.db2.gz BNUYCSSTXVPKSY-BLFANLJRSA-N 2 0 269.345 -1.264 20 0 CAADRP [NH3+]CCNCC(=O)N[C@@H]1CO[C@]2(C1)CCC[NH2+]C2 ZINC001220319284 780336160 /nfs/dbraw/zinc/33/61/60/780336160.db2.gz FNKBGMTWYDLGSC-JQWIXIFHSA-N 2 0 256.350 -1.438 20 0 CAADRP O=C(NC[C@@H]1CNC(=O)CO1)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220317207 780336306 /nfs/dbraw/zinc/33/63/06/780336306.db2.gz WVBXOGSQYDHGMW-IUCAKERBSA-N 2 0 268.317 -2.573 20 0 CAADRP O=C(N[C@@H]1CO[C@]2(C1)CCC[NH2+]C2)[C@@H]1C[NH2+]CCN1 ZINC001220320828 780336340 /nfs/dbraw/zinc/33/63/40/780336340.db2.gz QDPYPWFATOEMRQ-GVXVVHGQSA-N 2 0 268.361 -1.425 20 0 CAADRP [NH3+][C@@H]1CN[C@H](C(=O)N[C@H]2CO[C@@]3(C2)CCC[NH2+]C3)C1 ZINC001220320777 780336655 /nfs/dbraw/zinc/33/66/55/780336655.db2.gz PHGARHDRAUHMOF-SRRSOLGSSA-N 2 0 268.361 -1.297 20 0 CAADRP O=C(N[C@@H]1CO[C@@]2(C1)CCC[NH2+]C2)[C@H]1C[C@@H](O)C[NH2+]1 ZINC001220317095 780336714 /nfs/dbraw/zinc/33/67/14/780336714.db2.gz VTXIDXMHBUCFCU-SBFPOUOMSA-N 2 0 269.345 -1.264 20 0 CAADRP O=C(N[C@@H]1CO[C@@]2(C1)CCC[NH2+]C2)[C@H]1[NH2+]CC[C@H]1O ZINC001220318899 780336716 /nfs/dbraw/zinc/33/67/16/780336716.db2.gz BNUYCSSTXVPKSY-SRRSOLGSSA-N 2 0 269.345 -1.264 20 0 CAADRP [NH3+]CCNCC(=O)N[C@@H]1CO[C@@]2(C1)CCC[NH2+]C2 ZINC001220319283 780336733 /nfs/dbraw/zinc/33/67/33/780336733.db2.gz FNKBGMTWYDLGSC-CMPLNLGQSA-N 2 0 256.350 -1.438 20 0 CAADRP O=C(N[C@@H]1CO[C@@]2(C1)CCC[NH2+]C2)[C@H]1C[NH2+]CCN1 ZINC001220320826 780336736 /nfs/dbraw/zinc/33/67/36/780336736.db2.gz QDPYPWFATOEMRQ-DMDPSCGWSA-N 2 0 268.361 -1.425 20 0 CAADRP O=C(N[C@@H]1CO[C@]2(C1)CCC[NH2+]C2)[C@H]1C[NH2+]CCN1 ZINC001220320829 780336873 /nfs/dbraw/zinc/33/68/73/780336873.db2.gz QDPYPWFATOEMRQ-LOWVWBTDSA-N 2 0 268.361 -1.425 20 0 CAADRP N[C@@H](CC[NH3+])C(=O)N[C@H]1CO[C@]2(C1)CCC[NH2+]C2 ZINC001220321490 780336879 /nfs/dbraw/zinc/33/68/79/780336879.db2.gz URMVAKVETPVGJD-SCVCMEIPSA-N 2 0 256.350 -1.310 20 0 CAADRP CC(=O)OC[C@H]([NH3+])C(=O)N[C@H]1CO[C@@]2(C1)CCC[NH2+]C2 ZINC001220316480 780336933 /nfs/dbraw/zinc/33/69/33/780336933.db2.gz PUKVLDAYMPNNEN-NTZNESFSSA-N 2 0 285.344 -1.096 20 0 CAADRP NC(=O)[C@@H](CO)NC(=O)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001220329222 780337468 /nfs/dbraw/zinc/33/74/68/780337468.db2.gz JTIIKLQOWRMXEA-DTWKUNHWSA-N 2 0 270.333 -2.177 20 0 CAADRP Cc1cc(NC(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)n(N)c(=O)c1 ZINC001220324126 780338242 /nfs/dbraw/zinc/33/82/42/780338242.db2.gz YIULFIPCXAQZGS-SECBINFHSA-N 2 0 277.328 -1.382 20 0 CAADRP NC(=O)[C@H](CO)NC(=O)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001220329221 780338459 /nfs/dbraw/zinc/33/84/59/780338459.db2.gz JTIIKLQOWRMXEA-BDAKNGLRSA-N 2 0 270.333 -2.177 20 0 CAADRP CCOC(=O)C1(NC(=O)[C@@H]2C[NH2+]C[C@H]2O)CC[NH+](C)CC1 ZINC001220345376 780339396 /nfs/dbraw/zinc/33/93/96/780339396.db2.gz HRQHXZVFOVPMFH-GHMZBOCLSA-N 2 0 299.371 -1.290 20 0 CAADRP CC(C)[NH2+]CCCC[C@H]([NH3+])C(=O)N[C@H](CO)C(N)=O ZINC001220329638 780339463 /nfs/dbraw/zinc/33/94/63/780339463.db2.gz VVFINPHIGUAFBN-VHSXEESVSA-N 2 0 274.365 -1.556 20 0 CAADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)NCCC1COC1 ZINC001220340399 780339519 /nfs/dbraw/zinc/33/95/19/780339519.db2.gz CFAROSAEKYGAKB-GFCCVEGCSA-N 2 0 270.377 -1.111 20 0 CAADRP CCOC(=O)C1(NC(=O)C[C@@H](O)C[NH3+])CC[NH+](C)CC1 ZINC001220345985 780340762 /nfs/dbraw/zinc/34/07/62/780340762.db2.gz VKMPCWAZGBLUHN-SNVBAGLBSA-N 2 0 287.360 -1.160 20 0 CAADRP CCOC(=O)C1(NC(=O)[C@H]2[NH2+]CC[C@@H]2O)CC[NH+](C)CC1 ZINC001220346087 780341106 /nfs/dbraw/zinc/34/11/06/780341106.db2.gz YCFMZWIWUKZAKK-QWRGUYRKSA-N 2 0 299.371 -1.147 20 0 CAADRP CCOC(=O)C1(NC(=O)[C@]2(N)CC[NH2+]C2)CC[NH+](C)CC1 ZINC001220345706 780341334 /nfs/dbraw/zinc/34/13/34/780341334.db2.gz MPJQFLZINCYBKJ-ZDUSSCGKSA-N 2 0 298.387 -1.179 20 0 CAADRP CN1CCOC[C@@H]1CNC(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220381027 780342538 /nfs/dbraw/zinc/34/25/38/780342538.db2.gz FYWYDHZDHQPUSX-QWRGUYRKSA-N 2 0 268.361 -1.758 20 0 CAADRP CN1CCOC[C@@H]1CNC(=O)[C@@H]([NH3+])CSCC[NH3+] ZINC001220380598 780342644 /nfs/dbraw/zinc/34/26/44/780342644.db2.gz AJISEKFRVOXOFS-UWVGGRQHSA-N 2 0 276.406 -1.548 20 0 CAADRP CN1CCOC[C@H]1CNC(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001220381563 780342740 /nfs/dbraw/zinc/34/27/40/780342740.db2.gz LETUFBBSNGXQKL-MNOVXSKESA-N 2 0 258.366 -1.111 20 0 CAADRP CN1CCOC[C@H]1CNC(=O)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220381025 780342745 /nfs/dbraw/zinc/34/27/45/780342745.db2.gz FYWYDHZDHQPUSX-GHMZBOCLSA-N 2 0 268.361 -1.758 20 0 CAADRP CC[C@@H](C(=O)N[C@@H]1C[N@H+](CCCO)C[C@@H]1O)[NH+](C)C ZINC001220380249 780342772 /nfs/dbraw/zinc/34/27/72/780342772.db2.gz VSYYVWIZEYIKQQ-WOPDTQHZSA-N 2 0 273.377 -1.130 20 0 CAADRP CN1CCOC[C@H]1CNC(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220381026 780343132 /nfs/dbraw/zinc/34/31/32/780343132.db2.gz FYWYDHZDHQPUSX-MNOVXSKESA-N 2 0 268.361 -1.758 20 0 CAADRP C=CC(=O)NCCNC(=O)[C@@H]([NH3+])C1CC[NH2+]CC1 ZINC001220397110 780344670 /nfs/dbraw/zinc/34/46/70/780344670.db2.gz YYHBJKBDYBONIZ-NSHDSACASA-N 2 0 254.334 -1.268 20 0 CAADRP CO[C@@H](C)CNC(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001220393093 780345062 /nfs/dbraw/zinc/34/50/62/780345062.db2.gz QJGRZQJDOMRWSC-GXSJLCMTSA-N 2 0 258.366 -1.112 20 0 CAADRP CNOCCNC(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001220403234 780345363 /nfs/dbraw/zinc/34/53/63/780345363.db2.gz KVNRGVAOOACAOW-SNVBAGLBSA-N 2 0 259.354 -1.996 20 0 CAADRP C[S@](=O)CC[C@H]([NH3+])C(=O)NC[C@H]1COCC[NH2+]1 ZINC001220429408 780347714 /nfs/dbraw/zinc/34/77/14/780347714.db2.gz RBMICCSTNZRHME-GSRNSYJJSA-N 2 0 263.363 -1.813 20 0 CAADRP O=C(NC[C@@H]1COCC[NH2+]1)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001220428962 780347735 /nfs/dbraw/zinc/34/77/35/780347735.db2.gz INVIBYKBKRPSNU-NQBHXWOUSA-N 3 0 268.361 -1.710 20 0 CAADRP O=C(NC[C@@H]1COCC[NH2+]1)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001220429267 780347939 /nfs/dbraw/zinc/34/79/39/780347939.db2.gz OMJCFNBVJMPBBI-NEPJUHHUSA-N 3 0 282.388 -1.035 20 0 CAADRP Cn1cncc1C[C@H]([NH3+])C(=O)NC[C@@H]1COCC[NH2+]1 ZINC001220429027 780348070 /nfs/dbraw/zinc/34/80/70/780348070.db2.gz JROARFHZGOHAIM-KOLCDFICSA-N 2 0 267.333 -1.606 20 0 CAADRP NC(=[NH2+])NCCCCC(=O)NC[C@@H]1COCC[NH2+]1 ZINC001220432085 780348258 /nfs/dbraw/zinc/34/82/58/780348258.db2.gz XQKNGIIODVCPRH-SECBINFHSA-N 2 0 257.338 -1.256 20 0 CAADRP O=C(NC[C@@H]1COCC[NH2+]1)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001220429270 780348290 /nfs/dbraw/zinc/34/82/90/780348290.db2.gz OMJCFNBVJMPBBI-VXGBXAGGSA-N 3 0 282.388 -1.035 20 0 CAADRP [NH3+]CCSC[C@H]([NH3+])C(=O)NC[C@H]1COCC[NH2+]1 ZINC001220431343 780348306 /nfs/dbraw/zinc/34/83/06/780348306.db2.gz FNARBPARIDSVHK-IUCAKERBSA-N 3 0 262.379 -1.890 20 0 CAADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)NC[C@H]1COCC[NH2+]1 ZINC001220429266 780348317 /nfs/dbraw/zinc/34/83/17/780348317.db2.gz OKXOYHVWLMJDSL-QWRGUYRKSA-N 3 0 258.366 -1.192 20 0 CAADRP [NH3+]CC(=O)N1CCC[C@H]1C(=O)NC[C@H]1COCC[NH2+]1 ZINC001220431838 780348410 /nfs/dbraw/zinc/34/84/10/780348410.db2.gz REHOUZZBWNFGEL-UWVGGRQHSA-N 2 0 270.333 -1.959 20 0 CAADRP CC(=O)N[C@@H](CCCC[NH3+])C(=O)NC[C@H]1COCC[NH2+]1 ZINC001220431784 780348483 /nfs/dbraw/zinc/34/84/83/780348483.db2.gz PNTQCVQFCZJJAF-RYUDHWBXSA-N 2 0 286.376 -1.275 20 0 CAADRP CC(C)C[C@H](NC(=O)C[NH3+])C(=O)NC[C@@H]1COCC[NH2+]1 ZINC001220431445 780348564 /nfs/dbraw/zinc/34/85/64/780348564.db2.gz GYMPVNCCOJDZSO-MNOVXSKESA-N 2 0 286.376 -1.419 20 0 CAADRP [NH3+][C@H](C(=O)NC[C@H]1COCC[NH2+]1)C1CCC(O)CC1 ZINC001220431534 780348653 /nfs/dbraw/zinc/34/86/53/780348653.db2.gz IZEYDPQVKQJFBK-ADPBJBESSA-N 2 0 271.361 -1.031 20 0 CAADRP CC[C@H](C)[C@H]([NH3+])C(=O)NCC(=O)NC[C@H]1COCC[NH2+]1 ZINC001220431976 780348663 /nfs/dbraw/zinc/34/86/63/780348663.db2.gz UQBGZVSXUWMNCK-NHCYSSNCSA-N 2 0 286.376 -1.419 20 0 CAADRP O=C(NC[C@H]1COCC[NH2+]1)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220428871 780348688 /nfs/dbraw/zinc/34/86/88/780348688.db2.gz GVDVCELVUDAGRI-UWVGGRQHSA-N 3 0 254.334 -2.100 20 0 CAADRP Cn1c(=O)cc(NC(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)[nH]c1=O ZINC001220424867 780348702 /nfs/dbraw/zinc/34/87/02/780348702.db2.gz WZZXPWFNTBPGGP-ZETCQYMHSA-N 2 0 279.300 -1.767 20 0 CAADRP O=C(NC[C@H]1COCC[NH2+]1)[C@@H]1C[C@@H]2CC[NH2+]C[C@H]2O1 ZINC001220429492 780348740 /nfs/dbraw/zinc/34/87/40/780348740.db2.gz SNAUCDQJEDMXLD-FIQHERPVSA-N 2 0 269.345 -1.142 20 0 CAADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)NC[C@H]1COCC[NH2+]1 ZINC001220431787 780348770 /nfs/dbraw/zinc/34/87/70/780348770.db2.gz PNXBYFARVNXFOA-RYUDHWBXSA-N 3 0 285.392 -2.159 20 0 CAADRP O=C(NC[C@@H]1COCC[NH2+]1)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1 ZINC001220429315 780348832 /nfs/dbraw/zinc/34/88/32/780348832.db2.gz PEMOLNMVHRWLCE-ZRUFSTJUSA-N 2 0 254.334 -1.959 20 0 CAADRP NC(=O)NCCC[C@@H]([NH3+])C(=O)NC[C@H]1COCC[NH2+]1 ZINC001220428922 780348847 /nfs/dbraw/zinc/34/88/47/780348847.db2.gz HRGXYWHKRFHJJE-DTWKUNHWSA-N 2 0 273.337 -2.133 20 0 CAADRP [NH3+][C@H](C(=O)NC[C@@H]1COCC[NH2+]1)C1CC[NH2+]CC1 ZINC001220432103 780348859 /nfs/dbraw/zinc/34/88/59/780348859.db2.gz XWAGSQYORIHFPH-MNOVXSKESA-N 3 0 256.350 -1.582 20 0 CAADRP O=C(NC[C@H]1COCC[NH2+]1)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001220428963 780348864 /nfs/dbraw/zinc/34/88/64/780348864.db2.gz INVIBYKBKRPSNU-NTZNESFSSA-N 3 0 268.361 -1.710 20 0 CAADRP [NH3+][C@@H](C(=O)NC[C@H]1COCC[NH2+]1)C1CC[NH2+]CC1 ZINC001220432105 780348875 /nfs/dbraw/zinc/34/88/75/780348875.db2.gz XWAGSQYORIHFPH-WDEREUQCSA-N 3 0 256.350 -1.582 20 0 CAADRP O=C(N[C@@H](CO)C(F)(F)F)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220447525 780349744 /nfs/dbraw/zinc/34/97/44/780349744.db2.gz LKGDYZUGXDJSIX-BQBZGAKWSA-N 2 0 267.251 -1.165 20 0 CAADRP O=C(N[C@H](CO)C(F)(F)F)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220447526 780349533 /nfs/dbraw/zinc/34/95/33/780349533.db2.gz LKGDYZUGXDJSIX-NKWVEPMBSA-N 2 0 267.251 -1.165 20 0 CAADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)N[C@@H](CO)C(F)(F)F ZINC001220447083 780349806 /nfs/dbraw/zinc/34/98/06/780349806.db2.gz CISWINPLWLXMNS-IUCAKERBSA-N 2 0 298.309 -1.224 20 0 CAADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)N[C@@H](CO)C(F)(F)F ZINC001220447080 780349816 /nfs/dbraw/zinc/34/98/16/780349816.db2.gz CISWINPLWLXMNS-BDAKNGLRSA-N 2 0 298.309 -1.224 20 0 CAADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)N[C@H](CO)C(F)(F)F ZINC001220447082 780350155 /nfs/dbraw/zinc/35/01/55/780350155.db2.gz CISWINPLWLXMNS-DTWKUNHWSA-N 2 0 298.309 -1.224 20 0 CAADRP CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)[C@@H]([NH3+])CCC[NH3+])O1 ZINC001220481227 780351411 /nfs/dbraw/zinc/35/14/11/780351411.db2.gz AFXSOQSHRONHMD-SBFPOUOMSA-N 3 0 288.392 -1.106 20 0 CAADRP CC(C)[C@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)[C@H]([NH3+])CCC[NH3+])O1 ZINC001220481228 780352114 /nfs/dbraw/zinc/35/21/14/780352114.db2.gz AFXSOQSHRONHMD-UZWSLXQKSA-N 3 0 288.392 -1.106 20 0 CAADRP CC(C)[C@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)[C@H]2C[NH2+]C[C@@H]2N)O1 ZINC001220482077 780352852 /nfs/dbraw/zinc/35/28/52/780352852.db2.gz ZYVADGLHNINEEL-ONYIWYLUSA-N 2 0 286.376 -1.626 20 0 CAADRP CC(C)[C@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)[C@@H](N)C[NH3+])O1 ZINC001220481902 780352911 /nfs/dbraw/zinc/35/29/11/780352911.db2.gz VNQFEIWNOUXQGJ-SJQPAMGKSA-N 2 0 260.338 -1.887 20 0 CAADRP CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)[C@H]2C[NH2+]C[C@@H]2O)O1 ZINC001220481322 780353079 /nfs/dbraw/zinc/35/30/79/780353079.db2.gz DBCRBFQPBMWTGB-ZTVLKNOQSA-N 2 0 287.360 -1.592 20 0 CAADRP [NH3+]CCSC[C@H]([NH3+])C(=O)N1C[C@H](O)C[C@@H]1CO ZINC001220481549 780353088 /nfs/dbraw/zinc/35/30/88/780353088.db2.gz KBTQOFJGOJYHLF-HLTSFMKQSA-N 2 0 263.363 -2.040 20 0 CAADRP O=C([C@H]1C[NH2+]CC12C[NH2+]C2)N1C[C@H](O)C[C@@H]1CO ZINC001220481407 780353177 /nfs/dbraw/zinc/35/31/77/780353177.db2.gz GNESULWBYRBPJY-OPRDCNLKSA-N 2 0 255.318 -2.251 20 0 CAADRP [NH3+][C@@H](C(=O)N1C[C@H](O)C[C@@H]1CO)C1CC[NH2+]CC1 ZINC001220481339 780353228 /nfs/dbraw/zinc/35/32/28/780353228.db2.gz DMIRMARDKNSQAA-GMTAPVOTSA-N 2 0 257.334 -1.733 20 0 CAADRP CC(C)[C@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)C[C@@H](O)C[NH3+])O1 ZINC001220481496 780353262 /nfs/dbraw/zinc/35/32/62/780353262.db2.gz JGGJRWGTQJONBL-BFLSOPEQSA-N 2 0 275.349 -1.463 20 0 CAADRP C[NH+](C)CCCC[C@H]([NH3+])C(=O)N1C[C@H](O)C[C@@H]1CO ZINC001220481739 780353394 /nfs/dbraw/zinc/35/33/94/780353394.db2.gz PQUFINBAQJEHLH-UTUOFQBUSA-N 2 0 273.377 -1.000 20 0 CAADRP CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)C[C@H](O)C[NH3+])O1 ZINC001220481497 780353612 /nfs/dbraw/zinc/35/36/12/780353612.db2.gz JGGJRWGTQJONBL-BTQIBKBOSA-N 2 0 275.349 -1.463 20 0 CAADRP O=C([C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1)N1C[C@H](O)C[C@@H]1CO ZINC001220481810 780353638 /nfs/dbraw/zinc/35/36/38/780353638.db2.gz RWOPXKAKMTUJGY-UTUOFQBUSA-N 2 0 283.372 -1.185 20 0 CAADRP CC(C)[C@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)CNCC[NH3+])O1 ZINC001220481477 780353962 /nfs/dbraw/zinc/35/39/62/780353962.db2.gz IXSNERCMIFHECO-FOGDFJRCSA-N 2 0 274.365 -1.624 20 0 CAADRP CC(C)[C@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)[C@]2(N)CC[NH2+]C2)O1 ZINC001220482073 780353995 /nfs/dbraw/zinc/35/39/95/780353995.db2.gz ZUJKDTYPWOATQS-DCQANWLSSA-N 2 0 286.376 -1.482 20 0 CAADRP CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)[C@H]2[NH2+]CC[C@@H]2O)O1 ZINC001220481973 780354014 /nfs/dbraw/zinc/35/40/14/780354014.db2.gz XIUITIMOBFFOPK-FTEPDLOASA-N 2 0 287.360 -1.450 20 0 CAADRP [NH3+]CCOCCOCCNC(=O)[C@@H]1C[NH2+]C[C@@H]1O ZINC001220519504 780354595 /nfs/dbraw/zinc/35/45/95/780354595.db2.gz QKESYBNRUHDOLF-ZJUUUORDSA-N 2 0 261.322 -2.325 20 0 CAADRP Cc1[nH][nH]c(=O)c1CCNC(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220492347 780355238 /nfs/dbraw/zinc/35/52/38/780355238.db2.gz LCSRLWNTQCMDBT-JTQLQIEISA-N 2 0 279.344 -1.109 20 0 CAADRP COC(C)(CNC(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2)OC ZINC001220509096 780356611 /nfs/dbraw/zinc/35/66/11/780356611.db2.gz KNQCOHYDTRMWKE-VIFPVBQESA-N 2 0 257.334 -1.079 20 0 CAADRP CN(CC[NH3+])CCNC(=O)[C@@]12C[NH2+]C[C@H]1CCN2 ZINC001220515958 780356364 /nfs/dbraw/zinc/35/63/64/780356364.db2.gz MSNOYWSZQNOVRR-ZYHUDNBSSA-N 2 0 255.366 -2.055 20 0 CAADRP CN(CC[NH3+])CCNC(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220515549 780356437 /nfs/dbraw/zinc/35/64/37/780356437.db2.gz GCYDNNOPMOQNMR-JTQLQIEISA-N 3 0 255.366 -2.198 20 0 CAADRP CN(CC[NH3+])CCNC(=O)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220515552 780356543 /nfs/dbraw/zinc/35/65/43/780356543.db2.gz GCYDNNOPMOQNMR-SNVBAGLBSA-N 3 0 255.366 -2.198 20 0 CAADRP CN(CC[NH3+])CCNC(=O)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001220516217 780357071 /nfs/dbraw/zinc/35/70/71/780357071.db2.gz SEHMVUWUDSSAAD-GFCCVEGCSA-N 3 0 283.420 -1.133 20 0 CAADRP CN(CC[NH3+])CCNC(=O)[C@H]1COC2(C[NH2+]C2)CN1 ZINC001220516190 780357283 /nfs/dbraw/zinc/35/72/83/780357283.db2.gz RMKJKEDCKFSPKX-SNVBAGLBSA-N 2 0 271.365 -2.677 20 0 CAADRP CN(CC[NH3+])CCNC(=O)[C@H]([NH3+])Cc1cnc[nH]1 ZINC001220515813 780357408 /nfs/dbraw/zinc/35/74/08/780357408.db2.gz LNBFGXROMKOGBC-SNVBAGLBSA-N 2 0 254.338 -1.714 20 0 CAADRP COC(C)(CNC(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1)OC ZINC001220508936 780357535 /nfs/dbraw/zinc/35/75/35/780357535.db2.gz DHTUBSGZIAZSQS-LLVKDONJSA-N 2 0 288.392 -1.138 20 0 CAADRP CCOC(=O)C1=C(NC(=O)[C@@]2(N)CC[NH2+]C2)CC[NH2+]C1 ZINC001220523597 780358579 /nfs/dbraw/zinc/35/85/79/780358579.db2.gz RXVCHKRRLZRADG-CYBMUJFWSA-N 2 0 282.344 -1.396 20 0 CAADRP CN(CC[NH3+])CCNC(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001220515744 780358212 /nfs/dbraw/zinc/35/82/12/780358212.db2.gz JGCOCBHEOYCRMB-DGCLKSJQSA-N 3 0 269.393 -1.808 20 0 CAADRP [NH3+]CCOCCOCCNC(=O)[C@@H]1C[C@H]([NH3+])CN1 ZINC001220519187 780358431 /nfs/dbraw/zinc/35/84/31/780358431.db2.gz FRGNEPCLOXLIHO-UWVGGRQHSA-N 2 0 260.338 -2.216 20 0 CAADRP [NH3+]CCOCCOCCNC(=O)[C@H]1[NH2+]CC[C@@H]1O ZINC001220519506 780358473 /nfs/dbraw/zinc/35/84/73/780358473.db2.gz QMROSEFGNJZBQC-UWVGGRQHSA-N 2 0 261.322 -2.183 20 0 CAADRP CCOC(=O)C1=C(NC(=O)[C@@H]([NH3+])COC(C)=O)CC[NH2+]C1 ZINC001220521842 780358489 /nfs/dbraw/zinc/35/84/89/780358489.db2.gz QGZCELOGRYDVHL-JTQLQIEISA-N 2 0 299.327 -1.197 20 0 CAADRP [NH3+]CCOCCOCCNC(=O)[C@@]12C[NH2+]C[C@H]1CCN2 ZINC001220519227 780358509 /nfs/dbraw/zinc/35/85/09/780358509.db2.gz HDCACHJBLIDBDV-DGCLKSJQSA-N 2 0 286.376 -1.954 20 0 CAADRP CCOC(=O)C1=C(NC(=O)[C@@H](N)CC[NH3+])CC[NH2+]C1 ZINC001220522800 780358690 /nfs/dbraw/zinc/35/86/90/780358690.db2.gz FCTAGRVRWJYRPX-VIFPVBQESA-N 2 0 270.333 -1.411 20 0 CAADRP [NH3+]CCOCCOCCNC(=O)C[C@H]1COCC[NH2+]1 ZINC001220519629 780358800 /nfs/dbraw/zinc/35/88/00/780358800.db2.gz VOLBYRYTTQRNSJ-NSHDSACASA-N 2 0 275.349 -1.527 20 0 CAADRP [NH3+]CCOCCOCCNC(=O)[C@H]1C[NH2+]C[C@H]1O ZINC001220519503 780359040 /nfs/dbraw/zinc/35/90/40/780359040.db2.gz QKESYBNRUHDOLF-VHSXEESVSA-N 2 0 261.322 -2.325 20 0 CAADRP CC(C)C[C@H](NC(=O)C[NH3+])C(=O)NCCN(C)CC[NH3+] ZINC001220517548 780359063 /nfs/dbraw/zinc/35/90/63/780359063.db2.gz PRAHYGCHKAAMHF-NSHDSACASA-N 2 0 287.408 -1.517 20 0 CAADRP CCOC(=O)C1=C(NC(=O)C2(N)CC[NH2+]CC2)CC[NH2+]C1 ZINC001220523479 780359309 /nfs/dbraw/zinc/35/93/09/780359309.db2.gz OYILLZCTFCVGGY-UHFFFAOYSA-N 2 0 296.371 -1.006 20 0 CAADRP CCOC(=O)C1=C(NC(=O)[C@]2(N)CCC[NH2+]C2)CC[NH2+]C1 ZINC001220522650 780359481 /nfs/dbraw/zinc/35/94/81/780359481.db2.gz CITGFFLONJMDAW-AWEZNQCLSA-N 2 0 296.371 -1.006 20 0 CAADRP CCOC(=O)C1=C(NC(=O)C[C@@H](O)C[NH3+])CC[NH2+]C1 ZINC001220522058 780359559 /nfs/dbraw/zinc/35/95/59/780359559.db2.gz ZUNROCRIYMWOFJ-MRVPVSSYSA-N 2 0 271.317 -1.377 20 0 CAADRP CN(CC[NH3+])CCNC(=O)[C@H]([NH3+])C1CC[NH2+]CC1 ZINC001220517695 780359595 /nfs/dbraw/zinc/35/95/95/780359595.db2.gz WHGQDDDVDYPQFK-LLVKDONJSA-N 3 0 257.382 -1.680 20 0 CAADRP [NH3+]CCOCCOCCNC(=O)[C@@H]([NH3+])C1CC[NH2+]CC1 ZINC001220519278 780359698 /nfs/dbraw/zinc/35/96/98/780359698.db2.gz ISJVGXGCINKLLT-LBPRGKRZSA-N 3 0 288.392 -1.579 20 0 CAADRP C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)NCCN(C)CC[NH3+] ZINC001220517689 780359719 /nfs/dbraw/zinc/35/97/19/780359719.db2.gz WAAZAZOJDNPCQA-IUCAKERBSA-N 2 0 275.353 -3.183 20 0 CAADRP [NH3+]CCCC[C@H]([NH3+])CC(=O)NCCOCCOCC[NH3+] ZINC001220519348 780359825 /nfs/dbraw/zinc/35/98/25/780359825.db2.gz KYLRNOATZRULIH-LBPRGKRZSA-N 3 0 290.408 -1.059 20 0 CAADRP [NH3+]CCOCCOCCNC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1 ZINC001220519405 780359863 /nfs/dbraw/zinc/35/98/63/780359863.db2.gz NADCXCJQQYZYNC-SDDRHHMPSA-N 2 0 286.376 -1.956 20 0 CAADRP N[C@]1(C(=O)NCCOCCOCC[NH3+])CC[NH2+]C1 ZINC001220519609 780360032 /nfs/dbraw/zinc/36/00/32/780360032.db2.gz USJKDHLBYHKDMU-LLVKDONJSA-N 2 0 260.338 -2.215 20 0 CAADRP [NH3+]CCOCCOCCNC(=O)[C@H]1[NH2+]CC[C@H]1O ZINC001220519507 780360140 /nfs/dbraw/zinc/36/01/40/780360140.db2.gz QMROSEFGNJZBQC-ZJUUUORDSA-N 2 0 261.322 -2.183 20 0 CAADRP CCOC(=O)C1=C(NC(=O)[C@@H]2C[NH2+]CCN2)CC[NH2+]C1 ZINC001220524009 780360695 /nfs/dbraw/zinc/36/06/95/780360695.db2.gz WJOIUTWDMHVECC-NSHDSACASA-N 2 0 282.344 -1.526 20 0 CAADRP [NH3+]CCC[C@@H]([NH3+])C(=O)NCCN1CC2(COC2)C1 ZINC001220570977 780362444 /nfs/dbraw/zinc/36/24/44/780362444.db2.gz FPYKZZTVBGGVDX-SNVBAGLBSA-N 2 0 256.350 -1.499 20 0 CAADRP O=C(NCCN1CC2(COC2)C1)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220571606 780363092 /nfs/dbraw/zinc/36/30/92/780363092.db2.gz VHBWXBLRADSVLK-LLVKDONJSA-N 2 0 280.372 -1.756 20 0 CAADRP O=C(NCCN1CC2(COC2)C1)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001220571113 780364246 /nfs/dbraw/zinc/36/42/46/780364246.db2.gz JCCRUBQENBHMSR-IUODEOHRSA-N 2 0 294.399 -1.366 20 0 CAADRP COC(=O)CNC(=O)CNC(=O)[C@H]([NH3+])C1CC[NH2+]CC1 ZINC001220575818 780365885 /nfs/dbraw/zinc/36/58/85/780365885.db2.gz MDMAGSBHPMBKBT-LLVKDONJSA-N 2 0 286.332 -2.281 20 0 CAADRP COC(=O)CNC(=O)CNC(=O)[C@H]([NH3+])CCC[NH3+] ZINC001220576057 780366346 /nfs/dbraw/zinc/36/63/46/780366346.db2.gz RAWKDWVGRHVUMG-SSDOTTSWSA-N 2 0 260.294 -2.542 20 0 CAADRP CCOC(=O)CN(CC[NH3+])C(=O)[C@H]1C[NH2+]C[C@@H]1N ZINC001220585614 780367541 /nfs/dbraw/zinc/36/75/41/780367541.db2.gz REEQDAYGGOKSFH-IUCAKERBSA-N 2 0 258.322 -2.117 20 0 CAADRP CCOC(=O)CN(CC[NH3+])C(=O)C1(N)CC[NH2+]CC1 ZINC001220583468 780367579 /nfs/dbraw/zinc/36/75/79/780367579.db2.gz MCLWQFSGSCMBSM-UHFFFAOYSA-N 2 0 272.349 -1.582 20 0 CAADRP CCOC(=O)CN(CC[NH3+])C(=O)[C@H]([NH3+])C1CC[NH2+]CC1 ZINC001220583799 780367674 /nfs/dbraw/zinc/36/76/74/780367674.db2.gz ZGEVCRXZLQBAQP-GFCCVEGCSA-N 3 0 286.376 -1.336 20 0 CAADRP CCOC(=O)CN(CC[NH3+])C(=O)[C@@]12C[NH2+]C[C@H]1CCN2 ZINC001220583072 780367765 /nfs/dbraw/zinc/36/77/65/780367765.db2.gz CPMNFOCFYXTAGI-ZWNOBZJWSA-N 2 0 284.360 -1.712 20 0 CAADRP CCOC(=O)CN(CC[NH3+])C(=O)[C@]12C[NH2+]C[C@@H]1CCN2 ZINC001220583069 780367983 /nfs/dbraw/zinc/36/79/83/780367983.db2.gz CPMNFOCFYXTAGI-GWCFXTLKSA-N 2 0 284.360 -1.712 20 0 CAADRP CCOC(=O)CN(CC[NH3+])C(=O)C[C@H]1COCC[NH2+]1 ZINC001220585736 780368127 /nfs/dbraw/zinc/36/81/27/780368127.db2.gz WNUIZOLWELIVDB-JTQLQIEISA-N 2 0 273.333 -1.285 20 0 CAADRP CCOC(=O)CN(CC[NH3+])C(=O)[C@@]12C[NH2+]C[C@@H]1CCN2 ZINC001220583070 780368263 /nfs/dbraw/zinc/36/82/63/780368263.db2.gz CPMNFOCFYXTAGI-GXFFZTMASA-N 2 0 284.360 -1.712 20 0 CAADRP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](C[C@H](C)O)C[C@@H]1O ZINC001220582784 780368445 /nfs/dbraw/zinc/36/84/45/780368445.db2.gz DPZFKDSBXXYSMO-TUAOUCFPSA-N 2 0 273.377 -1.130 20 0 CAADRP CCOC(=O)CN(CC[NH3+])C(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001220583306 780368474 /nfs/dbraw/zinc/36/84/74/780368474.db2.gz JMZVRRYQKMTMQI-JTQLQIEISA-N 3 0 274.365 -1.207 20 0 CAADRP CCOC(=O)CN(CC[NH3+])C(=O)[C@@H]1C[NH2+]CCN1 ZINC001220583801 780368548 /nfs/dbraw/zinc/36/85/48/780368548.db2.gz ZGKMONOUCVFSBY-VIFPVBQESA-N 2 0 258.322 -2.102 20 0 CAADRP CCOC(=O)CN(CC[NH3+])C(=O)[C@]1(N)CC[NH2+]C1 ZINC001220583287 780368775 /nfs/dbraw/zinc/36/87/75/780368775.db2.gz IDQXVTJZVXZBNT-NSHDSACASA-N 2 0 258.322 -1.972 20 0 CAADRP CC(=O)N1CC(NC(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)C1 ZINC001220596689 780369409 /nfs/dbraw/zinc/36/94/09/780369409.db2.gz FPOGRWZMINMXJT-JTQLQIEISA-N 2 0 252.318 -1.858 20 0 CAADRP CN1CCC[C@H](NC(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)C1=O ZINC001220590644 780369596 /nfs/dbraw/zinc/36/95/96/780369596.db2.gz PQDMPNDJSYTFJG-UWVGGRQHSA-N 2 0 266.345 -1.468 20 0 CAADRP CN1CCC[C@H](NC(=O)[C@@H]([NH3+])CSCC[NH3+])C1=O ZINC001220589668 780370061 /nfs/dbraw/zinc/37/00/61/780370061.db2.gz DRWUQGFUUWCASC-IUCAKERBSA-N 2 0 274.390 -1.257 20 0 CAADRP CN1CCC[C@H](NC(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)C1=O ZINC001220589834 780370360 /nfs/dbraw/zinc/37/03/60/780370360.db2.gz FNSBWKNNFOMCMH-UHIISALHSA-N 2 0 280.372 -1.078 20 0 CAADRP CC(=O)NC[C@H](C)CNC(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001220756979 780377910 /nfs/dbraw/zinc/37/79/10/780377910.db2.gz PJIXMYBVIBSCIU-GXFFZTMASA-N 2 0 299.419 -1.375 20 0 CAADRP CC(=O)NC[C@@H](C)CNC(=O)[C@@H]([NH3+])CSCC[NH3+] ZINC001220756813 780378879 /nfs/dbraw/zinc/37/88/79/780378879.db2.gz KTYVHLTYLGXDEF-SCZZXKLOSA-N 2 0 276.406 -1.106 20 0 CAADRP COC(=O)[C@@H](Cc1cncn1C)NC(=O)[C@@H]([NH3+])CCC[NH3+] ZINC001220768760 780380534 /nfs/dbraw/zinc/38/05/34/780380534.db2.gz ANZGZRDNECTVIG-WDEREUQCSA-N 2 0 297.359 -1.313 20 0 CAADRP [NH3+]CC(=O)NCC(=O)N[C@@]12CC[C@@]([NH3+])(C1)CCC2 ZINC001220775168 780380648 /nfs/dbraw/zinc/38/06/48/780380648.db2.gz LKCPUJAAROFCHB-NEPJUHHUSA-N 2 0 254.334 -1.018 20 0 CAADRP CCOC(=O)C1=C(NC(=O)[C@H]([NH3+])Cc2cnc[nH]2)C[NH2+]C1 ZINC001220825641 780381792 /nfs/dbraw/zinc/38/17/92/780381792.db2.gz PIHMMUNDCBAHHG-SNVBAGLBSA-N 3 0 293.327 -1.184 20 0 CAADRP CCOC(=O)C1=C(NC(=O)C[C@@H](O)C[NH3+])C[NH2+]C1 ZINC001220826892 780381855 /nfs/dbraw/zinc/38/18/55/780381855.db2.gz BHTAVAXAHNCOND-SSDOTTSWSA-N 2 0 257.290 -1.767 20 0 CAADRP CCOC(=O)C1=C(NC(=O)[C@H]2C[NH2+]CC[C@@H]2O)C[NH2+]C1 ZINC001220827427 780381879 /nfs/dbraw/zinc/38/18/79/780381879.db2.gz MVKYFVODZRKWIY-ONGXEEELSA-N 2 0 283.328 -1.507 20 0 CAADRP CCOC(=O)C1=C(NC(=O)[C@@H]([NH3+])CCC(=O)OC)C[NH2+]C1 ZINC001220826925 780382174 /nfs/dbraw/zinc/38/21/74/780382174.db2.gz BTIISMLBWLTXRB-VIFPVBQESA-N 2 0 299.327 -1.197 20 0 CAADRP CCOC(=O)C1=C(NC(=O)[C@@H]2C[NH2+]CCC2=O)C[NH2+]C1 ZINC001220827966 780382440 /nfs/dbraw/zinc/38/24/40/780382440.db2.gz DVUBSURZIGADFY-SECBINFHSA-N 2 0 281.312 -1.298 20 0 CAADRP CCOC(=O)C1=C(NC(=O)CNC2CC[NH2+]CC2)C[NH2+]C1 ZINC001220827123 780382692 /nfs/dbraw/zinc/38/26/92/780382692.db2.gz HRUBYYCEXZDPFU-UHFFFAOYSA-N 2 0 296.371 -1.135 20 0 CAADRP CCOC(=O)C1=C(NC(=O)C2=NO[C@@H]3C[NH2+]C[C@H]23)C[NH2+]C1 ZINC001220827525 780382749 /nfs/dbraw/zinc/38/27/49/780382749.db2.gz QPXWCZXUPQFXNQ-WCBMZHEXSA-N 2 0 294.311 -1.503 20 0 CAADRP CCOC(=O)C1=C(NC(=O)[C@H]2C[NH2+][C@@H]3CCO[C@@H]32)C[NH2+]C1 ZINC001220827202 780382950 /nfs/dbraw/zinc/38/29/50/780382950.db2.gz JTPHKISQNXPVAV-HOSYDEDBSA-N 2 0 295.339 -1.100 20 0 CAADRP CCOC(=O)C1=C(NC(=O)[C@@H]2C[NH2+]CC[C@H]2O)C[NH2+]C1 ZINC001220827426 780383134 /nfs/dbraw/zinc/38/31/34/780383134.db2.gz MVKYFVODZRKWIY-MWLCHTKSSA-N 2 0 283.328 -1.507 20 0 CAADRP CCC[N@H+](C)CC(=O)N[C@@H]1CN([C@H](C)C(N)=O)C[C@@H]1O ZINC001220822464 780383540 /nfs/dbraw/zinc/38/35/40/780383540.db2.gz ZMVXTJWGHAPYTA-MXWKQRLJSA-N 2 0 286.376 -1.637 20 0 CAADRP CCOC(=O)C1=C(NC(=O)[C@@H]2C[NH2+]CCN2C)C[NH2+]C1 ZINC001220830161 780383985 /nfs/dbraw/zinc/38/39/85/780383985.db2.gz QGVCFIIYBIMRQC-NSHDSACASA-N 2 0 282.344 -1.573 20 0 CAADRP CCOC(=O)C1=C(NC(=O)[C@@H]2C[NH2+]CCN2)C[NH2+]C1 ZINC001220830091 780384001 /nfs/dbraw/zinc/38/40/01/780384001.db2.gz MXWGXCFZPRCSMI-JTQLQIEISA-N 2 0 268.317 -1.916 20 0 CAADRP CCOC(=O)C1=C(NC(=O)[C@@H]2C[C@H]([NH3+])CN2)C[NH2+]C1 ZINC001220829913 780384025 /nfs/dbraw/zinc/38/40/25/780384025.db2.gz FSESFNQHUUSHIB-CBAPKCEASA-N 2 0 268.317 -1.788 20 0 CAADRP CCOC(=O)C1=C(NC(=O)CNCC[NH3+])C[NH2+]C1 ZINC001220830097 780384109 /nfs/dbraw/zinc/38/41/09/780384109.db2.gz NEDJWYLXXKYMLF-UHFFFAOYSA-N 2 0 256.306 -1.929 20 0 CAADRP CSCC[C@H](NC(=O)[C@H]([NH3+])CCC[NH3+])C(N)=O ZINC001220840592 780384133 /nfs/dbraw/zinc/38/41/33/780384133.db2.gz QKODGKVQSCVUAB-SFYZADRCSA-N 2 0 262.379 -1.224 20 0 CAADRP CCOC(=O)C1=C(NC(=O)[C@H]2C[N@H+](C)CCN2C)C[NH2+]C1 ZINC001220830030 780384207 /nfs/dbraw/zinc/38/42/07/780384207.db2.gz KVOWKZAPDSXIHE-GFCCVEGCSA-N 2 0 296.371 -1.231 20 0 CAADRP CCOC(=O)C1=C(NC(=O)[C@H](CO)[NH2+]C)C[NH2+]C1 ZINC001220829288 780384363 /nfs/dbraw/zinc/38/43/63/780384363.db2.gz ZHZMMCYAKVRSQC-VIFPVBQESA-N 2 0 257.290 -1.897 20 0 CAADRP CCOC(=O)C1=C(NC(=O)[C@@H]([NH3+])COC)C[NH2+]C1 ZINC001220827957 780384393 /nfs/dbraw/zinc/38/43/93/780384393.db2.gz DLVWVYJSNKUZFT-QMMMGPOBSA-N 2 0 257.290 -1.503 20 0 CAADRP CCOC(=O)C1=C(NC(=O)[C@@H]2C[C@@H]([NH3+])CN2)C[NH2+]C1 ZINC001220828070 780384702 /nfs/dbraw/zinc/38/47/02/780384702.db2.gz FSESFNQHUUSHIB-APPZFPTMSA-N 2 0 268.317 -1.788 20 0 CAADRP CCOC(=O)C1=C(NC(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)C[NH2+]C1 ZINC001220828282 780384745 /nfs/dbraw/zinc/38/47/45/780384745.db2.gz KIOZXCZEJQSTLZ-VROVMSAKSA-N 2 0 265.313 -1.012 20 0 CAADRP CCOC(=O)C1=C(NC(=O)[C@H]([NH3+])C2CC[NH2+]CC2)C[NH2+]C1 ZINC001220828318 780385059 /nfs/dbraw/zinc/38/50/59/780385059.db2.gz LWUCOBJNIVDPMM-GFCCVEGCSA-N 3 0 296.371 -1.150 20 0 CAADRP CCOC(=O)C1=C(NC(=O)[C@H]2COC[C@H]2[NH3+])C[NH2+]C1 ZINC001220830277 780385107 /nfs/dbraw/zinc/38/51/07/780385107.db2.gz VBDDRFXKABDWNP-DTWKUNHWSA-N 2 0 269.301 -1.503 20 0 CAADRP CCOC(=O)C1=C(NC(=O)[C@H](C)NC(=O)[C@H](C)[NH3+])C[NH2+]C1 ZINC001220830490 780385166 /nfs/dbraw/zinc/38/51/66/780385166.db2.gz YMCJMRIDBMFPHL-YUMQZZPRSA-N 2 0 298.343 -1.625 20 0 CAADRP CCOC(=O)C1(NC(=O)CN2CC[NH2+]CC2)C[NH2+]C1 ZINC001220850943 780385998 /nfs/dbraw/zinc/38/59/98/780385998.db2.gz BGHBNTOMZYOETM-UHFFFAOYSA-N 2 0 270.333 -2.087 20 0 CAADRP CSCC[C@H](NC(=O)[C@H]1C[NH2+]CC12C[NH2+]C2)C(N)=O ZINC001220840906 780386201 /nfs/dbraw/zinc/38/62/01/780386201.db2.gz ZACASGFGRPYKMQ-BDAKNGLRSA-N 2 0 286.401 -1.481 20 0 CAADRP CCOC(=O)C1(NC(=O)[C@H]2C[NH2+]CCN2)C[NH2+]C1 ZINC001220851075 780386246 /nfs/dbraw/zinc/38/62/46/780386246.db2.gz GNNJMTROPBZTPE-MRVPVSSYSA-N 2 0 256.306 -2.431 20 0 CAADRP CCOC(=O)C1(NC(=O)[C@@H]2C[NH2+]CCN2)C[NH2+]C1 ZINC001220851076 780386278 /nfs/dbraw/zinc/38/62/78/780386278.db2.gz GNNJMTROPBZTPE-QMMMGPOBSA-N 2 0 256.306 -2.431 20 0 CAADRP CCOC(=O)C1(NC(=O)[C@]23C[NH2+]C[C@H]2CCN3)C[NH2+]C1 ZINC001220851019 780386622 /nfs/dbraw/zinc/38/66/22/780386622.db2.gz DGFZONYJFZSONZ-RNCFNFMXSA-N 2 0 282.344 -2.041 20 0 CAADRP CCOC(=O)C1(NC(=O)[C@@H]2C[C@@H]3CC[NH2+]C[C@H]3O2)C[NH2+]C1 ZINC001220851388 780387636 /nfs/dbraw/zinc/38/76/36/780387636.db2.gz UUBGWGCGQGXEQR-GARJFASQSA-N 2 0 297.355 -1.225 20 0 CAADRP O=C(NCCN1CCNCC1=O)[C@@H]1C[C@@H](F)CC[NH2+]1 ZINC001220872073 780387882 /nfs/dbraw/zinc/38/78/82/780387882.db2.gz JDWDITDUZNTZRK-UWVGGRQHSA-N 2 0 272.324 -1.376 20 0 CAADRP CCOC(=O)C1(NC(=O)[C@H]2C[C@@H](O)C[NH2+]2)C[NH2+]C1 ZINC001220851135 780388073 /nfs/dbraw/zinc/38/80/73/780388073.db2.gz JDXNDIZPJZOSCQ-HTQZYQBOSA-N 2 0 257.290 -2.270 20 0 CAADRP CCOC(=O)C1(NC(=O)[C@@H]([NH3+])CC[S@@](C)=O)C[NH2+]C1 ZINC001220851086 780388095 /nfs/dbraw/zinc/38/80/95/780388095.db2.gz HCNRGRCYRMJIDE-WPCRTTGESA-N 2 0 291.373 -1.896 20 0 CAADRP CCOC(=O)C1(NC(=O)C[C@@H]2COCC[NH2+]2)C[NH2+]C1 ZINC001220851177 780388724 /nfs/dbraw/zinc/38/87/24/780388724.db2.gz LARNUPHDLDTDCM-SECBINFHSA-N 2 0 271.317 -1.614 20 0 CAADRP O=C(NCCN1CCNCC1=O)C1CC[NH2+]CC1 ZINC001220872031 780388842 /nfs/dbraw/zinc/38/88/42/780388842.db2.gz HRLGMUSSZKPPFS-UHFFFAOYSA-N 2 0 254.334 -1.466 20 0 CAADRP CCOC(=O)C1(NC(=O)[C@H]2CC[NH2+]C[C@@H]2F)C[NH2+]C1 ZINC001220853035 780388970 /nfs/dbraw/zinc/38/89/70/780388970.db2.gz IPJFIWSAYVWYGK-IUCAKERBSA-N 2 0 273.308 -1.045 20 0 CAADRP CCOC(=O)C1(NC(=O)C[C@@H]([NH3+])CCCC[NH3+])C[NH2+]C1 ZINC001220851293 780389241 /nfs/dbraw/zinc/38/92/41/780389241.db2.gz PBJUOXXQJUOOLF-JTQLQIEISA-N 3 0 286.376 -1.146 20 0 CAADRP CCOC(=O)C1(NC(=O)[C@]2(N)CC[NH2+]C2)C[NH2+]C1 ZINC001220851534 780389340 /nfs/dbraw/zinc/38/93/40/780389340.db2.gz ZOGOPRFDJNSOLS-JTQLQIEISA-N 2 0 256.306 -2.302 20 0 CAADRP [NH3+][C@H](C(=O)NCCN1CCNCC1=O)C1CC[NH2+]CC1 ZINC001220874912 780390038 /nfs/dbraw/zinc/39/00/38/780390038.db2.gz QSRKEZSQRZVDMF-LBPRGKRZSA-N 2 0 283.376 -2.139 20 0 CAADRP COC(=O)[C@H]1C[C@@H]1CNC(=O)[C@@H]([NH3+])CSCC[NH3+] ZINC001220881290 780390139 /nfs/dbraw/zinc/39/01/39/780390139.db2.gz HPKCBZVWDKXPAD-VGMNWLOBSA-N 2 0 275.374 -1.069 20 0 CAADRP C[C@@]1([NH3+])C[C@H](NC(=O)[C@H]([NH3+])CCCNC(N)=O)C1 ZINC001221238813 780407096 /nfs/dbraw/zinc/40/70/96/780407096.db2.gz DASQOZZGJDOQLF-XLDPMVHQSA-N 2 0 257.338 -1.242 20 0 CAADRP O=C(NCCN1CCNCC1=O)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220872249 780390771 /nfs/dbraw/zinc/39/07/71/780390771.db2.gz QJVXDPVHDGYMAW-SNVBAGLBSA-N 2 0 281.360 -2.657 20 0 CAADRP [NH3+]CCC[C@@H]([NH3+])C(=O)NCCOCCN1C(=O)C=CC1=O ZINC001220877404 780391275 /nfs/dbraw/zinc/39/12/75/780391275.db2.gz YROKYGQSTGRRBC-SNVBAGLBSA-N 2 0 298.343 -1.890 20 0 CAADRP O=C(NCCN1CCNCC1=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001220872132 780391465 /nfs/dbraw/zinc/39/14/65/780391465.db2.gz LHEUTVRCDFQGKK-BXUZGUMPSA-N 2 0 295.387 -2.267 20 0 CAADRP COC(=O)[C@H]1C[C@H]1CNC(=O)[C@@H]([NH3+])CSCC[NH3+] ZINC001220881288 780391984 /nfs/dbraw/zinc/39/19/84/780391984.db2.gz HPKCBZVWDKXPAD-CIUDSAMLSA-N 2 0 275.374 -1.069 20 0 CAADRP Cn1cncc1CCC(=O)N[C@@H]1C[N@H+](CCO)C[C@@H]1O ZINC001220888205 780392713 /nfs/dbraw/zinc/39/27/13/780392713.db2.gz GAUOOECVNNLXCW-NEPJUHHUSA-N 2 0 282.344 -1.494 20 0 CAADRP COC(=O)[C@@H]1C[C@@H]1CNC(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001220882013 780392915 /nfs/dbraw/zinc/39/29/15/780392915.db2.gz QZTGUTPWGZRGJA-JLLWLGSASA-N 2 0 298.387 -1.338 20 0 CAADRP COC(=O)[C@@H]1C[C@H]1CNC(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001220882015 780392951 /nfs/dbraw/zinc/39/29/51/780392951.db2.gz QZTGUTPWGZRGJA-MVWJERBFSA-N 2 0 298.387 -1.338 20 0 CAADRP COC(=O)[C@@H]1C[C@@H]1CNC(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220881081 780393259 /nfs/dbraw/zinc/39/32/59/780393259.db2.gz CAEOEBBKILJMDQ-BBBLOLIVSA-N 2 0 267.329 -1.279 20 0 CAADRP COC(=O)[C@@H]1C[C@H]1CNC(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001220882017 780393466 /nfs/dbraw/zinc/39/34/66/780393466.db2.gz QZTGUTPWGZRGJA-WCQGTBRESA-N 2 0 298.387 -1.338 20 0 CAADRP NC(=O)NCCC[C@H]([NH3+])C(=O)N[C@@H]1CCC[NH2+]C1 ZINC001220884767 780393561 /nfs/dbraw/zinc/39/35/61/780393561.db2.gz MOJYVTPDFYBZOA-BDAKNGLRSA-N 2 0 257.338 -1.370 20 0 CAADRP [NH3+]CCN(CCNC(=O)C[C@@H]1COCC[NH2+]1)N(O)N=O ZINC001220903102 780393991 /nfs/dbraw/zinc/39/39/91/780393991.db2.gz LLRVHQHWQRMRSG-SECBINFHSA-N 2 0 290.324 -1.971 20 0 CAADRP [NH3+]CCN(CCNC(=O)[C@H]1C[NH2+]C[C@@H]1O)N(O)N=O ZINC001220903026 780394043 /nfs/dbraw/zinc/39/40/43/780394043.db2.gz IXRIBFDFBUKVFC-YUMQZZPRSA-N 2 0 276.297 -2.769 20 0 CAADRP [NH3+]CCN(CCNC(=O)[C@@H]([NH3+])CC(F)F)N(O)N=O ZINC001220903172 780394146 /nfs/dbraw/zinc/39/41/46/780394146.db2.gz OCOFAYVQWFVZNK-LURJTMIESA-N 2 0 284.267 -1.367 20 0 CAADRP [NH3+]CCN(CCNC(=O)C[C@@H](O)C[NH3+])N(O)N=O ZINC001220900424 780394246 /nfs/dbraw/zinc/39/42/46/780394246.db2.gz KBPVLEUODWEGHS-SSDOTTSWSA-N 2 0 264.286 -2.639 20 0 CAADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)N[C@H]1CCC[NH2+]C1 ZINC001220889250 780394252 /nfs/dbraw/zinc/39/42/52/780394252.db2.gz GQXBGKZXFBUCBE-RYUDHWBXSA-N 3 0 269.393 -1.395 20 0 CAADRP [NH3+]CCN(CCNC(=O)CN1CC[NH2+]CC1)N(O)N=O ZINC001220900483 780394281 /nfs/dbraw/zinc/39/42/81/780394281.db2.gz KVKCWCIPYDVWGR-UHFFFAOYSA-N 2 0 289.340 -2.444 20 0 CAADRP [NH3+]CCN(CCNC(=O)[C@H]1C[NH2+]C[C@H]1O)N(O)N=O ZINC001220903024 780394540 /nfs/dbraw/zinc/39/45/40/780394540.db2.gz IXRIBFDFBUKVFC-JGVFFNPUSA-N 2 0 276.297 -2.769 20 0 CAADRP CCC(=O)N1CC[C@H](NC(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)C1 ZINC001220906950 780394989 /nfs/dbraw/zinc/39/49/89/780394989.db2.gz DKGPVCYYPCDFFI-WDEREUQCSA-N 2 0 280.372 -1.078 20 0 CAADRP [NH3+]CCN(CCNC(=O)[C@H]1CC[NH2+]C[C@@H]1F)N(O)N=O ZINC001220903743 780395144 /nfs/dbraw/zinc/39/51/44/780395144.db2.gz YVJXGVMFKAXXLR-IUCAKERBSA-N 2 0 292.315 -1.402 20 0 CAADRP O=C(NCCO[C@@H]1CC[NH2+]C1)[C@@]12C[NH2+]C[C@@H]1CCN2 ZINC001220936381 780395748 /nfs/dbraw/zinc/39/57/48/780395748.db2.gz FUBPNYQCSJCOEW-DMDPSCGWSA-N 2 0 268.361 -1.567 20 0 CAADRP O=C(NCCO[C@@H]1CC[NH2+]C1)[C@@H]1COC2(C[NH2+]C2)CN1 ZINC001220936388 780395792 /nfs/dbraw/zinc/39/57/92/780395792.db2.gz FYQJOISTHLBSFW-MNOVXSKESA-N 2 0 284.360 -2.189 20 0 CAADRP C[S@@](=O)CC[C@H]([NH3+])C(=O)NCCO[C@H]1CC[NH2+]C1 ZINC001220937137 780396377 /nfs/dbraw/zinc/39/63/77/780396377.db2.gz MSQSTUKCXYUAAX-LXIMFEHMSA-N 2 0 277.390 -1.423 20 0 CAADRP CC1(C)C(=O)NC[C@H]1NC(=O)[C@@H]([NH3+])CSCC[NH3+] ZINC001221370831 780418619 /nfs/dbraw/zinc/41/86/19/780418619.db2.gz UPESHGSGOVXFSV-JGVFFNPUSA-N 2 0 274.390 -1.354 20 0 CAADRP C[S@](=O)CC[C@H]([NH3+])C(=O)NCCO[C@@H]1CC[NH2+]C1 ZINC001220937136 780396874 /nfs/dbraw/zinc/39/68/74/780396874.db2.gz MSQSTUKCXYUAAX-JJQCHNSYSA-N 2 0 277.390 -1.423 20 0 CAADRP Cn1cncc1C[C@H]([NH3+])C(=O)NCCO[C@H]1CC[NH2+]C1 ZINC001220937330 780396914 /nfs/dbraw/zinc/39/69/14/780396914.db2.gz PDRRANWJMNFPLO-RYUDHWBXSA-N 2 0 281.360 -1.215 20 0 CAADRP O=C(NCCO[C@@H]1CC[NH2+]C1)[C@H]1COC2(C[NH2+]C2)CN1 ZINC001220936387 780397251 /nfs/dbraw/zinc/39/72/51/780397251.db2.gz FYQJOISTHLBSFW-GHMZBOCLSA-N 2 0 284.360 -2.189 20 0 CAADRP O=C(NCCO[C@H]1CC[NH2+]C1)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220937459 780397437 /nfs/dbraw/zinc/39/74/37/780397437.db2.gz RZSQFHRLLQCBDZ-WDEREUQCSA-N 3 0 268.361 -1.710 20 0 CAADRP C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)NCCO[C@@H]1CC[NH2+]C1 ZINC001220937131 780397544 /nfs/dbraw/zinc/39/75/44/780397544.db2.gz MPOYKTZHMPGNLV-AEJSXWLSSA-N 2 0 288.348 -2.695 20 0 CAADRP CC[C@H](C)[C@H]([NH3+])C(=O)NCC(=O)n1cc(C[NH3+])cnc1=N ZINC001220951341 780397798 /nfs/dbraw/zinc/39/77/98/780397798.db2.gz YEHVGYOBPKWMPP-KWQFWETISA-N 2 0 294.359 -1.049 20 0 CAADRP O=C(NCCO[C@H]1CC[NH2+]C1)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001220937693 780397875 /nfs/dbraw/zinc/39/78/75/780397875.db2.gz XRBIARDVIUURJC-MBNYWOFBSA-N 3 0 282.388 -1.320 20 0 CAADRP N=c1ncc(C[NH3+])cn1C(=O)[C@@H]1CCCN1C(=O)C[NH3+] ZINC001220950959 780398186 /nfs/dbraw/zinc/39/81/86/780398186.db2.gz LWNZEFXZKVPMGT-VIFPVBQESA-N 2 0 278.316 -1.589 20 0 CAADRP [NH3+]CCSC[C@H]([NH3+])C(=O)NCCO[C@H]1CC[NH2+]C1 ZINC001220937636 780398210 /nfs/dbraw/zinc/39/82/10/780398210.db2.gz WQTCZHSNFGBPNC-UWVGGRQHSA-N 3 0 276.406 -1.500 20 0 CAADRP N=c1ncc(C[NH3+])cn1C(=O)[C@@]1(N)CCC[NH2+]C1 ZINC001220950632 780398232 /nfs/dbraw/zinc/39/82/32/780398232.db2.gz APOVPRUPZQBXHI-LLVKDONJSA-N 2 0 250.306 -1.458 20 0 CAADRP N=c1ncc(C[NH3+])cn1C(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1 ZINC001220950961 780398380 /nfs/dbraw/zinc/39/83/80/780398380.db2.gz LZWYKMTWSZOIAX-LPEHRKFASA-N 2 0 262.317 -1.589 20 0 CAADRP N=c1ncc(C[NH3+])cn1C(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220950970 780398508 /nfs/dbraw/zinc/39/85/08/780398508.db2.gz MCWAPGSVAOOLET-VIFPVBQESA-N 3 0 262.317 -1.730 20 0 CAADRP N=c1ncc(C[NH3+])cn1C(=O)[C@@]12C[NH2+]C[C@H]1CCN2 ZINC001220951421 780398600 /nfs/dbraw/zinc/39/86/00/780398600.db2.gz ZYWGKZQUVCYQQF-BXKDBHETSA-N 2 0 262.317 -1.587 20 0 CAADRP O=C(NCCO[C@@H]1CC[NH2+]C1)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220937457 780399020 /nfs/dbraw/zinc/39/90/20/780399020.db2.gz RZSQFHRLLQCBDZ-MNOVXSKESA-N 3 0 268.361 -1.710 20 0 CAADRP C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)n1cc(C[NH3+])cnc1=N ZINC001220950914 780399139 /nfs/dbraw/zinc/39/91/39/780399139.db2.gz KIIBYMKXWSZTKW-XPUUQOCRSA-N 2 0 282.304 -2.714 20 0 CAADRP [NH3+]CC(=O)N1CCC[C@H]1C(=O)NCCO[C@H]1CC[NH2+]C1 ZINC001220937611 780399213 /nfs/dbraw/zinc/39/92/13/780399213.db2.gz VXVAHVJTYVCROF-QWRGUYRKSA-N 2 0 284.360 -1.569 20 0 CAADRP N=c1ncc(C[NH3+])cn1C(=O)[C@@H]1COC2(C[NH2+]C2)CN1 ZINC001220951109 780399304 /nfs/dbraw/zinc/39/93/04/780399304.db2.gz QCDZURILQDBLKN-VIFPVBQESA-N 2 0 278.316 -2.208 20 0 CAADRP N=c1ncc(C[NH3+])cn1C(=O)CN1CC[NH2+]CC1 ZINC001220950727 780399346 /nfs/dbraw/zinc/39/93/46/780399346.db2.gz DJRUNSNOAHEPTQ-UHFFFAOYSA-N 2 0 250.306 -1.633 20 0 CAADRP N=c1ncc(C[NH3+])cn1C(=O)[C@@H](N)CSCC[NH3+] ZINC001220951091 780399682 /nfs/dbraw/zinc/39/96/82/780399682.db2.gz PHPQTHGGGVGBOM-QMMMGPOBSA-N 2 0 270.362 -1.519 20 0 CAADRP [NH3+]CCSC[C@H]([NH3+])C(=O)NCCO[C@@H]1CC[NH2+]C1 ZINC001220937637 780399767 /nfs/dbraw/zinc/39/97/67/780399767.db2.gz WQTCZHSNFGBPNC-ZJUUUORDSA-N 3 0 276.406 -1.500 20 0 CAADRP C[NH+](C)CC(=O)N[C@H]1CC[C@H](NC(=O)[C@@H](N)C[NH3+])CC1 ZINC001221006195 780400006 /nfs/dbraw/zinc/40/00/06/780400006.db2.gz BURJYMXUFIGDHT-DCAQKATOSA-N 2 0 285.392 -1.622 20 0 CAADRP COC(=O)CC[C@H](NC(=O)[C@H]1C[NH2+]CC12C[NH2+]C2)C(N)=O ZINC001221018564 780402085 /nfs/dbraw/zinc/40/20/85/780402085.db2.gz FRTZMKVAYKIMAO-BDAKNGLRSA-N 2 0 298.343 -2.281 20 0 CAADRP COC(=O)CC[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(N)=O ZINC001221019329 780403416 /nfs/dbraw/zinc/40/34/16/780403416.db2.gz TXYSTOYYVZTDCI-IUCAKERBSA-N 2 0 288.348 -1.634 20 0 CAADRP COCCC1([NH3+])CCN(C(=O)CNCC[NH3+])CC1 ZINC001221136905 780404139 /nfs/dbraw/zinc/40/41/39/780404139.db2.gz XMPXZGMZHWIJPE-UHFFFAOYSA-N 2 0 258.366 -1.109 20 0 CAADRP COCCC1([NH3+])CCN(C(=O)[C@H]2C[NH2+]C[C@@H]2N)CC1 ZINC001221136325 780404293 /nfs/dbraw/zinc/40/42/93/780404293.db2.gz MWZXWBMTDWJKRV-QWRGUYRKSA-N 2 0 270.377 -1.111 20 0 CAADRP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@H+](C[C@H](C)O)C[C@@H]1O ZINC001221089675 780404671 /nfs/dbraw/zinc/40/46/71/780404671.db2.gz MACLMMFWXSUYTQ-TUAOUCFPSA-N 2 0 273.377 -1.131 20 0 CAADRP COC(=O)[C@H](CCC[NH3+])NC(=O)C[C@H]1COCC[NH2+]1 ZINC001221190686 780406840 /nfs/dbraw/zinc/40/68/40/780406840.db2.gz YGWQHIUEGHIQCR-UWVGGRQHSA-N 2 0 273.333 -1.238 20 0 CAADRP C[C@@]1([NH3+])C[C@H](NC(=O)[C@@H]2COC3(C[NH2+]C3)CN2)C1 ZINC001221239393 780407103 /nfs/dbraw/zinc/40/71/03/780407103.db2.gz NHASJDSDZUHUPH-ATZCPNFKSA-N 2 0 254.334 -1.687 20 0 CAADRP C[C@@]1([NH3+])C[C@H](NC(=O)[C@H]2COC3(C[NH2+]C3)CN2)C1 ZINC001221239397 780407148 /nfs/dbraw/zinc/40/71/48/780407148.db2.gz NHASJDSDZUHUPH-KKZNHRDASA-N 2 0 254.334 -1.687 20 0 CAADRP CCCC[C@H](NC(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2)C(N)=O ZINC001221234747 780407251 /nfs/dbraw/zinc/40/72/51/780407251.db2.gz LOOQOXOHYPASJR-UWVGGRQHSA-N 2 0 268.361 -1.044 20 0 CAADRP C[C@@]1([NH3+])C[C@H](NC(=O)CN(CC[NH3+])S(C)(=O)=O)C1 ZINC001221239860 780407488 /nfs/dbraw/zinc/40/74/88/780407488.db2.gz VQFIELUYXDMHED-WAAGHKOSSA-N 2 0 278.378 -1.797 20 0 CAADRP C[N@@H+]1CCC[C@@](C)(NC(=O)[C@H]2COC3(C[NH2+]C3)CN2)C1 ZINC001221240826 780407559 /nfs/dbraw/zinc/40/75/59/780407559.db2.gz DKEPLOZLWJQYFZ-DGCLKSJQSA-N 2 0 282.388 -1.083 20 0 CAADRP O=C(NC1CN(C2COC2)C1)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001221245752 780408179 /nfs/dbraw/zinc/40/81/79/780408179.db2.gz ARSRISPFTTYBOV-NSHDSACASA-N 2 0 266.345 -2.005 20 0 CAADRP C[N@@H+]1CC[C@@H](CNC(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)C1 ZINC001221254395 780408500 /nfs/dbraw/zinc/40/85/00/780408500.db2.gz NSSNIAPFDKMGCA-WCQYABFASA-N 2 0 283.420 -1.195 20 0 CAADRP C[C@@]1([NH3+])C[C@H](NC(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)C1 ZINC001221241139 780408540 /nfs/dbraw/zinc/40/85/40/780408540.db2.gz OWXJWNQZOZVUJC-WZRBSPASSA-N 3 0 269.393 -1.267 20 0 CAADRP C[N@@H+]1CC[C@@H](CNC(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)C1 ZINC001221254394 780408683 /nfs/dbraw/zinc/40/86/83/780408683.db2.gz NSSNIAPFDKMGCA-AAEUAGOBSA-N 2 0 283.420 -1.195 20 0 CAADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)N[C@@H]1CCOC[C@@H]1F ZINC001221244152 780408823 /nfs/dbraw/zinc/40/88/23/780408823.db2.gz QOSMHLUNLUBYLN-QJPTWQEYSA-N 2 0 288.367 -1.020 20 0 CAADRP C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N[C@]1(C)CCC[N@H+](C)C1 ZINC001221244181 780408853 /nfs/dbraw/zinc/40/88/53/780408853.db2.gz REYPQRNKDYRATL-OUJBWJOFSA-N 2 0 286.376 -1.589 20 0 CAADRP C[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)C1 ZINC001221254797 780409064 /nfs/dbraw/zinc/40/90/64/780409064.db2.gz TZCREBGYXOIEHU-QWRGUYRKSA-N 2 0 252.362 -1.137 20 0 CAADRP [NH3+][C@@H](C(=O)NC1=CC(=O)NCC1)C1CC[NH2+]CC1 ZINC001221316695 780414084 /nfs/dbraw/zinc/41/40/84/780414084.db2.gz MMTSUTIYMWJLTM-LLVKDONJSA-N 2 0 252.318 -1.167 20 0 CAADRP Nc1cn(C(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)c(N)nc1=O ZINC001221328844 780414858 /nfs/dbraw/zinc/41/48/58/780414858.db2.gz GONKYBGOMXUVDS-LURJTMIESA-N 2 0 264.289 -1.900 20 0 CAADRP Cc1cnc(NC(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)c(=O)[nH]1 ZINC001221327991 780414951 /nfs/dbraw/zinc/41/49/51/780414951.db2.gz HWPXVAVOQZBTIK-QMMMGPOBSA-N 2 0 263.301 -1.174 20 0 CAADRP Nc1cn(C(=O)[C@@H]([NH3+])CCCC[NH3+])c(N)nc1=O ZINC001221330243 780415017 /nfs/dbraw/zinc/41/50/17/780415017.db2.gz NLMLVCGGZLSEHD-LURJTMIESA-N 2 0 254.294 -1.253 20 0 CAADRP [NH3+]CCSC[C@H]([NH3+])C(=O)NC1=CC(=O)NCC1 ZINC001221316975 780415027 /nfs/dbraw/zinc/41/50/27/780415027.db2.gz QJGXFFVPYQXWTA-QMMMGPOBSA-N 2 0 258.347 -1.474 20 0 CAADRP O=C(NC1=CC(=O)NCC1)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001221316077 780415076 /nfs/dbraw/zinc/41/50/76/780415076.db2.gz CWYNNSSEWHBFTD-NOZJJQNGSA-N 2 0 264.329 -1.295 20 0 CAADRP O=C(N[C@H]1[C@@H]2COC[C@@H]21)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001221340533 780415696 /nfs/dbraw/zinc/41/56/96/780415696.db2.gz XRHUXHKIIKPOHU-CFDXXZMTSA-N 2 0 251.330 -1.054 20 0 CAADRP CS(=O)(=O)N(CC[NH3+])CC(=O)NCCCC[NH3+] ZINC001221346921 780415889 /nfs/dbraw/zinc/41/58/89/780415889.db2.gz AIURUFUQFDALBH-UHFFFAOYSA-N 2 0 266.367 -1.938 20 0 CAADRP [NH3+]CCCCNC(=O)[C@H]1CNC(=O)C12CC[NH2+]CC2 ZINC001221345332 780415969 /nfs/dbraw/zinc/41/59/69/780415969.db2.gz WQZONRTWQCBILF-SNVBAGLBSA-N 2 0 268.361 -1.043 20 0 CAADRP [NH3+]CCCCNC(=O)[C@H]1CCS(=O)(=O)C12C[NH2+]C2 ZINC001221345490 780416453 /nfs/dbraw/zinc/41/64/53/780416453.db2.gz ZQQXDSBSNFTNRJ-SECBINFHSA-N 2 0 275.374 -1.382 20 0 CAADRP O=C(NC1=CCOC1=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001221331891 780416532 /nfs/dbraw/zinc/41/65/32/780416532.db2.gz MWWAMLODTYSJNL-PRHODGIISA-N 2 0 251.286 -1.258 20 0 CAADRP [NH3+]CCCCNC(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001221348929 780417186 /nfs/dbraw/zinc/41/71/86/780417186.db2.gz MDOSEDRSMRBCMZ-LLVKDONJSA-N 3 0 257.382 -1.408 20 0 CAADRP O=C(N[C@@H]1C[NH2+]CC[C@H]1F)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001221367198 780417232 /nfs/dbraw/zinc/41/72/32/780417232.db2.gz NABRSGJXMODLAE-IVZWLZJFSA-N 3 0 256.325 -1.388 20 0 CAADRP CC1(C)C(=O)NC[C@H]1NC(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001221368452 780417239 /nfs/dbraw/zinc/41/72/39/780417239.db2.gz FPVCZXZODWJLDV-GPCCPHFNSA-N 2 0 280.372 -1.174 20 0 CAADRP CC1(C)C(=O)NC[C@@H]1NC(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001221368455 780417249 /nfs/dbraw/zinc/41/72/49/780417249.db2.gz FPVCZXZODWJLDV-ISTVAULSSA-N 2 0 280.372 -1.174 20 0 CAADRP O=C(N[C@@H]1C[NH2+]CC[C@H]1F)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1 ZINC001221365446 780417266 /nfs/dbraw/zinc/41/72/66/780417266.db2.gz CNOXDBAYASETOF-OGBGREFGSA-N 2 0 256.325 -1.248 20 0 CAADRP CC1(C)C(=O)NC[C@H]1NC(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001221367699 780417282 /nfs/dbraw/zinc/41/72/82/780417282.db2.gz AJVKZMCBVYKTHP-DTWKUNHWSA-N 2 0 266.345 -1.564 20 0 CAADRP CS(=O)(=O)N(CC[NH3+])CC(=O)N[C@@H]1C[NH2+]CC[C@H]1F ZINC001221366025 780417372 /nfs/dbraw/zinc/41/73/72/780417372.db2.gz KVMWYFQIVNNUKZ-RKDXNWHRSA-N 2 0 296.368 -1.977 20 0 CAADRP O=C(N[C@@H]1C[NH2+]CC[C@H]1F)[C@@]12C[NH2+]C[C@@H]1CCN2 ZINC001221368006 780417569 /nfs/dbraw/zinc/41/75/69/780417569.db2.gz VPLRXQALYKMYNK-BTQIBKBOSA-N 2 0 256.325 -1.246 20 0 CAADRP O=C(N[C@@H]1C[NH2+]CC[C@H]1F)[C@@]12C[NH2+]C[C@H]1CCN2 ZINC001221368007 780417598 /nfs/dbraw/zinc/41/75/98/780417598.db2.gz VPLRXQALYKMYNK-DNRKLUKYSA-N 2 0 256.325 -1.246 20 0 CAADRP O=C(NC[C@@H]1CNC(=O)O1)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001221368905 780417782 /nfs/dbraw/zinc/41/77/82/780417782.db2.gz INOCCZWRVQCSET-KBVBSXBZSA-N 2 0 268.317 -1.590 20 0 CAADRP CC1(C)C(=O)NC[C@@H]1NC(=O)[C@@H]([NH3+])CSCC[NH3+] ZINC001221370832 780418390 /nfs/dbraw/zinc/41/83/90/780418390.db2.gz UPESHGSGOVXFSV-YUMQZZPRSA-N 2 0 274.390 -1.354 20 0 CAADRP CC1(C)C(=O)NC[C@@H]1NC(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001221370033 780419191 /nfs/dbraw/zinc/41/91/91/780419191.db2.gz ORPHRXVCJIXFSL-QWRGUYRKSA-N 2 0 297.403 -1.622 20 0 CAADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)NC[C@@H]1CNC(=O)O1 ZINC001221370839 780419316 /nfs/dbraw/zinc/41/93/16/780419316.db2.gz UPHDTKFZMXOPHA-ZJUUUORDSA-N 2 0 285.348 -2.039 20 0 CAADRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)[C@@H]1COCN1 ZINC001221389681 780419417 /nfs/dbraw/zinc/41/94/17/780419417.db2.gz MHNDKLPADQRBEW-VIFPVBQESA-N 2 0 257.338 -1.004 20 0 CAADRP C[NH+]1CCC(CO)(NC(=O)[C@@H]2C[C@H](O)C[NH2+]2)CC1 ZINC001221402561 780419922 /nfs/dbraw/zinc/41/99/22/780419922.db2.gz IDOYFMOKKHICHY-UWVGGRQHSA-N 2 0 257.334 -1.718 20 0 CAADRP CC(=O)OC[C@H]([NH3+])C(=O)NC1(CO)CC[NH+](C)CC1 ZINC001221403417 780420099 /nfs/dbraw/zinc/42/00/99/780420099.db2.gz SMHFULLMHXMSLO-JTQLQIEISA-N 2 0 273.333 -1.550 20 0 CAADRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)[C@H]1C[C@@H](O)C[NH2+]1 ZINC001221391670 780420301 /nfs/dbraw/zinc/42/03/01/780420301.db2.gz ZJSWSJKGGRIKKS-NXEZZACHSA-N 3 0 271.365 -1.227 20 0 CAADRP C[NH+]1CCC(CO)(NC(=O)[C@@H]2CCCN2C(=O)C[NH3+])CC1 ZINC001221402599 780420322 /nfs/dbraw/zinc/42/03/22/780420322.db2.gz JHGRWTCUHAIUDL-NSHDSACASA-N 2 0 298.387 -1.491 20 0 CAADRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)[C@@H]1C[C@@H]([NH3+])CN1 ZINC001221390191 780420556 /nfs/dbraw/zinc/42/05/56/780420556.db2.gz OROPUTXLJZDVRC-ZJUUUORDSA-N 3 0 270.381 -1.261 20 0 CAADRP C[NH+]1CCC(CO)(NC(=O)[C@@H]2C[C@@H]([NH3+])CN2)CC1 ZINC001221403758 780420665 /nfs/dbraw/zinc/42/06/65/780420665.db2.gz WVSHMULRMNCDMO-ZJUUUORDSA-N 2 0 256.350 -1.752 20 0 CAADRP C[NH+]1CCC(CO)(NC(=O)[C@@H]([NH3+])Cc2cnc[nH]2)CC1 ZINC001221402421 780420740 /nfs/dbraw/zinc/42/07/40/780420740.db2.gz GVCHNYGQDFWOKE-NSHDSACASA-N 2 0 281.360 -1.148 20 0 CAADRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)[C@]1(N)CC[NH2+]C1 ZINC001221390547 780420752 /nfs/dbraw/zinc/42/07/52/780420752.db2.gz DXDWCVRYLXXGQM-LBPRGKRZSA-N 3 0 270.381 -1.259 20 0 CAADRP C[NH+]1CCC(CO)(NC(=O)[C@@H]2COC3(C[NH2+]C3)CN2)CC1 ZINC001221403807 780420802 /nfs/dbraw/zinc/42/08/02/780420802.db2.gz YIUXJFHZNIVGFT-NSHDSACASA-N 2 0 298.387 -2.110 20 0 CAADRP C[NH+]1CCC(CO)(NC(=O)[C@H]2C[C@@H](O)C[NH2+]2)CC1 ZINC001221402560 780420837 /nfs/dbraw/zinc/42/08/37/780420837.db2.gz IDOYFMOKKHICHY-NXEZZACHSA-N 2 0 257.334 -1.718 20 0 CAADRP C[NH+]1CCC(CO)(NC(=O)[C@@]2(N)CCC[NH2+]C2)CC1 ZINC001221403463 780420877 /nfs/dbraw/zinc/42/08/77/780420877.db2.gz SYWMZBLWMJPOMP-CYBMUJFWSA-N 2 0 270.377 -1.360 20 0 CAADRP C[NH+]1CCC(CO)(NC(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)CC1 ZINC001221403528 780420883 /nfs/dbraw/zinc/42/08/83/780420883.db2.gz VDCDYMJYFWRESS-LLVKDONJSA-N 3 0 282.388 -1.632 20 0 CAADRP C[NH+]1CCC(CO)(NC(=O)[C@@H]2C[NH2+]C[C@@H]2O)CC1 ZINC001221402698 780420887 /nfs/dbraw/zinc/42/08/87/780420887.db2.gz KLPCCATUPFEDGN-ZJUUUORDSA-N 2 0 257.334 -1.860 20 0 CAADRP C[NH+]1CCC(CO)(NC(=O)[C@@H]([NH3+])C2CC[NH2+]CC2)CC1 ZINC001221402928 780420892 /nfs/dbraw/zinc/42/08/92/780420892.db2.gz NTRPKFFHRFVMFG-LBPRGKRZSA-N 3 0 284.404 -1.114 20 0 CAADRP Cc1nnc(CNC(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)[nH]1 ZINC001221410743 780421445 /nfs/dbraw/zinc/42/14/45/780421445.db2.gz YZXVYJORJILDND-QMMMGPOBSA-N 2 0 250.306 -1.462 20 0 CAADRP Cc1nnc(CNC(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)[nH]1 ZINC001221410742 780421465 /nfs/dbraw/zinc/42/14/65/780421465.db2.gz YZXVYJORJILDND-MRVPVSSYSA-N 2 0 250.306 -1.462 20 0 CAADRP C[NH+]1CCN(CCCNS(=O)(=O)CC[NH3+])CC1 ZINC000722212087 780491004 /nfs/dbraw/zinc/49/10/04/780491004.db2.gz GNGHLAHRMFVBLL-UHFFFAOYSA-N 2 0 264.395 -1.498 20 0 CAADRP [NH3+]CCCCNS(=O)(=O)C[C@H]1C[NH2+]CCO1 ZINC000722212758 780491024 /nfs/dbraw/zinc/49/10/24/780491024.db2.gz ICNMDQXXKGDNJX-SECBINFHSA-N 2 0 251.352 -1.367 20 0 CAADRP CNC(=O)CN1CCO[C@H]2C[N@H+](CCCC[NH3+])C[C@H]21 ZINC001235552136 780492740 /nfs/dbraw/zinc/49/27/40/780492740.db2.gz LMKAJNJMKTVEKP-NEPJUHHUSA-N 2 0 270.377 -1.144 20 0 CAADRP [NH3+]C12CC(CN3CC[NH2+]CCNCC[NH2+]CC3)(C1)C2 ZINC001235869944 780493904 /nfs/dbraw/zinc/49/39/04/780493904.db2.gz LOAAHLIMYQQVEL-UHFFFAOYSA-N 3 0 267.421 -1.048 20 0 CAADRP O=C1CC[C@@H](CN2CC[NH2+]CCNCC[NH2+]CC2)N1 ZINC001235864612 780494082 /nfs/dbraw/zinc/49/40/82/780494082.db2.gz JFUPEMTWBANVNK-LBPRGKRZSA-N 2 0 269.393 -1.651 20 0 CAADRP C([C@H]1[C@@H]2C[NH2+]C[C@H]12)[NH+]1CCNCC[NH2+]CCNCC1 ZINC001235870110 780494943 /nfs/dbraw/zinc/49/49/43/780494943.db2.gz NPXGNHDHOKEMCH-WDNDVIMCSA-N 3 0 267.421 -1.464 20 0 CAADRP Nc1nccnc1CN1CC[NH2+]CCNCC[NH2+]CC1 ZINC001235870088 780494998 /nfs/dbraw/zinc/49/49/98/780494998.db2.gz LGXWEAZWGGPRLA-UHFFFAOYSA-N 2 0 279.392 -1.357 20 0 CAADRP O=C1N=CNC(=O)C1CN1CC[NH2+]CCNCC[NH2+]CC1 ZINC001235868916 780495147 /nfs/dbraw/zinc/49/51/47/780495147.db2.gz CESGFDSKUFWHEJ-UHFFFAOYSA-N 2 0 296.375 -1.528 20 0 CAADRP c1cc(CN2CC[NH2+]CCNCC[NH2+]CC2)n[nH]1 ZINC001235869100 780495463 /nfs/dbraw/zinc/49/54/63/780495463.db2.gz KIMRUKYTGKUPTH-UHFFFAOYSA-N 2 0 252.366 -1.006 20 0 CAADRP C([C@H]1CCC[NH2+]1)N1CC[NH2+]CCNCC[NH2+]CC1 ZINC001235871749 780495468 /nfs/dbraw/zinc/49/54/68/780495468.db2.gz WUGYBFWELGSGBC-CYBMUJFWSA-N 3 0 255.410 -1.177 20 0 CAADRP N[C@H]1NC(CN2CC[NH2+]CCNCC[NH2+]CC2)=CS1 ZINC001235868530 780495660 /nfs/dbraw/zinc/49/56/60/780495660.db2.gz FPMSKTLBRCCPNL-LBPRGKRZSA-N 2 0 286.449 -1.509 20 0 CAADRP C([C@H]1COCC[NH2+]1)N1CC[NH2+]CCNCC[NH2+]CC1 ZINC001235871504 780495762 /nfs/dbraw/zinc/49/57/62/780495762.db2.gz UPXMMMXGTGZSKY-ZDUSSCGKSA-N 3 0 271.409 -1.941 20 0 CAADRP C(CN1CC[NH2+]CCNCC[NH2+]CC1)C1C[NH2+]C1 ZINC001235871620 780495780 /nfs/dbraw/zinc/49/57/80/780495780.db2.gz VLDMGMDLISYZOI-UHFFFAOYSA-N 3 0 255.410 -1.320 20 0 CAADRP Nc1cnc(CN(CCC[NH3+])CC(=O)NCCC[NH3+])cn1 ZINC001236311656 780496079 /nfs/dbraw/zinc/49/60/79/780496079.db2.gz JYWNMLPDHACVGJ-UHFFFAOYSA-N 2 0 295.391 -1.325 20 0 CAADRP [NH3+]CCCNC(=O)CN(CCC[NH3+])C[C@H]1CCC[NH2+]1 ZINC001236310084 780496583 /nfs/dbraw/zinc/49/65/83/780496583.db2.gz UHWVDUDHVSFILV-GFCCVEGCSA-N 3 0 271.409 -1.146 20 0 CAADRP [NH3+]CCCNC(=O)CN(CCC[NH3+])C[C@@H]1CC[NH2+]C1 ZINC001236310230 780496708 /nfs/dbraw/zinc/49/67/08/780496708.db2.gz VZHJNLHFDIALHZ-GFCCVEGCSA-N 3 0 271.409 -1.288 20 0 CAADRP COC(=O)[C@@H]1C[C@@H]([NH3+])CN1CC[C@H]1C[NH2+]CCO1 ZINC001236197333 780496819 /nfs/dbraw/zinc/49/68/19/780496819.db2.gz QJFHOQRNZLQSDW-VWYCJHECSA-N 2 0 257.334 -1.061 20 0 CAADRP [NH3+]CCCNC(=O)CN(CCC[NH3+])C[C@H]1CC[NH2+]1 ZINC001236307391 780496823 /nfs/dbraw/zinc/49/68/23/780496823.db2.gz BLFRXCOGZIPBDV-LLVKDONJSA-N 3 0 257.382 -1.536 20 0 CAADRP COC(=O)[C@@H]1CN(Cc2cnc3n2CC[NH2+]CC3)C[C@H]1[NH3+] ZINC001236342215 780496944 /nfs/dbraw/zinc/49/69/44/780496944.db2.gz JJKGRSQVHJDDQM-VXGBXAGGSA-N 2 0 293.371 -1.039 20 0 CAADRP [NH3+]CCCNC(=O)CN(CCC[NH3+])CCCCO ZINC001236310247 780496989 /nfs/dbraw/zinc/49/69/89/780496989.db2.gz WDURUNITFCNNPC-UHFFFAOYSA-N 2 0 260.382 -1.125 20 0 CAADRP COC(=O)[C@@H]1C[C@@H]([NH3+])CN1CC[C@@H]1C[NH2+]CCO1 ZINC001236197332 780497033 /nfs/dbraw/zinc/49/70/33/780497033.db2.gz QJFHOQRNZLQSDW-MXWKQRLJSA-N 2 0 257.334 -1.061 20 0 CAADRP [NH3+]CCCNC(=O)CN(CCC[NH3+])C[C@@H]1C[NH2+]CCO1 ZINC001236309489 780497064 /nfs/dbraw/zinc/49/70/64/780497064.db2.gz LROXOUDMMOIWIH-LBPRGKRZSA-N 3 0 287.408 -1.909 20 0 CAADRP O=C(NC[C@@H](CO)[NH2+]CCCO)[C@@H]1C[NH+]2CCC1CC2 ZINC001278085053 780505251 /nfs/dbraw/zinc/50/52/51/780505251.db2.gz JMWQAQUGOSNKAQ-QWHCGFSZSA-N 2 0 285.388 -1.223 20 0 CAADRP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@H](CO)[NH2+]CCO ZINC001278139975 780509423 /nfs/dbraw/zinc/50/94/23/780509423.db2.gz XBCZFXWNVTZWGJ-MNOVXSKESA-N 2 0 259.350 -1.470 20 0 CAADRP O=S(=O)(CC1CC[NH2+]CC1)N[C@H]1C[NH2+]CCOC1 ZINC001238111424 780513944 /nfs/dbraw/zinc/51/39/44/780513944.db2.gz VJZKCUOANMSTGA-NSHDSACASA-N 2 0 277.390 -1.106 20 0 CAADRP [NH3+]CCS(=O)(=O)NCCCN1CC[NH2+]CC1 ZINC001238187770 780514924 /nfs/dbraw/zinc/51/49/24/780514924.db2.gz QOXQMWSJECCEFF-UHFFFAOYSA-N 2 0 250.368 -1.840 20 0 CAADRP COC(=O)[C@H](CCCC[NH3+])NS(=O)(=O)CC[NH3+] ZINC001238355281 780516972 /nfs/dbraw/zinc/51/69/72/780516972.db2.gz FQUNHIXBFBSGJW-QMMMGPOBSA-N 2 0 267.351 -1.465 20 0 CAADRP [NH3+]CCS(=O)(=O)N[C@@H]1CCO[C@]2(CC[NH2+]C2)C1 ZINC001238349086 780517282 /nfs/dbraw/zinc/51/72/82/780517282.db2.gz WIFNZGUZOLKQFF-NXEZZACHSA-N 2 0 263.363 -1.224 20 0 CAADRP [NH3+]CCS(=O)(=O)N[C@@H]1CCO[C@@]2(CC[NH2+]C2)C1 ZINC001238349444 780517408 /nfs/dbraw/zinc/51/74/08/780517408.db2.gz WIFNZGUZOLKQFF-ZJUUUORDSA-N 2 0 263.363 -1.224 20 0 CAADRP O=C1C[C@@H]2[NH2+]CC[C@@]2(NS(=O)(=O)C2CC[NH2+]CC2)N1 ZINC001238331210 780517558 /nfs/dbraw/zinc/51/75/58/780517558.db2.gz NDRLPXURGOHSKE-ONGXEEELSA-N 2 0 288.373 -1.764 20 0 CAADRP [NH3+]CCOCCOCCNS(=O)(=O)CC[NH3+] ZINC001238615009 780520419 /nfs/dbraw/zinc/52/04/19/780520419.db2.gz PPBMXWNAUDABPI-UHFFFAOYSA-N 2 0 255.340 -2.144 20 0 CAADRP COC(=O)[C@H](CCC[NH3+])NS(=O)(=O)[C@@H]1CC[NH2+]C1 ZINC001238837773 780523361 /nfs/dbraw/zinc/52/33/61/780523361.db2.gz VUVLPAVNTQIQMP-BDAKNGLRSA-N 2 0 279.362 -1.452 20 0 CAADRP [NH3+]CCNCCNS(=O)(=O)CC1CC[NH2+]CC1 ZINC001238837388 780523412 /nfs/dbraw/zinc/52/34/12/780523412.db2.gz DHFUPEUEZIUUHH-UHFFFAOYSA-N 2 0 264.395 -1.546 20 0 CAADRP CCOC(=O)C1=C(NS(=O)(=O)[C@@H]2CC[NH2+]C2)C[NH2+]C1 ZINC001238781632 780523427 /nfs/dbraw/zinc/52/34/27/780523427.db2.gz TVZBMZDGKZSDNT-MRVPVSSYSA-N 2 0 289.357 -1.312 20 0 CAADRP COC(=O)[C@H](CCC[NH3+])NS(=O)(=O)CC[NH3+] ZINC001238835385 780523531 /nfs/dbraw/zinc/52/35/31/780523531.db2.gz DQLAUAZPVQVLRT-ZETCQYMHSA-N 2 0 253.324 -1.855 20 0 CAADRP [NH3+]CCS(=O)(=O)N1CCN[C@H]2CC[NH2+]CC[C@@H]21 ZINC001239018894 780528433 /nfs/dbraw/zinc/52/84/33/780528433.db2.gz ZSFIRFWDUXTEPG-UWVGGRQHSA-N 2 0 262.379 -1.699 20 0 CAADRP O=S(=O)([C@@H]1CC[NH2+]C1)N1CCN[C@H]2CC[NH2+]CC[C@@H]21 ZINC001239014897 780528704 /nfs/dbraw/zinc/52/87/04/780528704.db2.gz FXIGFWBRMUANBR-WOPDTQHZSA-N 2 0 288.417 -1.296 20 0 CAADRP O=S(=O)(CC1CC[NH2+]CC1)N1CCO[C@@H]2C[NH2+]C[C@H]21 ZINC001239017166 780528822 /nfs/dbraw/zinc/52/88/22/780528822.db2.gz UBRMAUDFVSKMGV-VXGBXAGGSA-N 2 0 289.401 -1.012 20 0 CAADRP O=S(=O)(CC1CC[NH2+]CC1)N1C[C@H]2C[NH2+]C[C@@H](C1)O2 ZINC001239063166 780528851 /nfs/dbraw/zinc/52/88/51/780528851.db2.gz BZHAIXPCSYWPFC-TXEJJXNPSA-N 2 0 289.401 -1.012 20 0 CAADRP [NH3+]CCS(=O)(=O)N1CCO[C@@]2(C1)C[NH2+]CCOC2 ZINC001239022657 780528886 /nfs/dbraw/zinc/52/88/86/780528886.db2.gz CTQDLADGRLBXAF-SNVBAGLBSA-N 2 0 279.362 -2.034 20 0 CAADRP O=S(=O)(C1CC[NH2+]CC1)N1CCN[C@@]2(CC[NH2+]C2)C1 ZINC001239030702 780528919 /nfs/dbraw/zinc/52/89/19/780528919.db2.gz KUYQQXBYEVLOAL-GFCCVEGCSA-N 2 0 288.417 -1.295 20 0 CAADRP [NH3+]CCS(=O)(=O)N1CCNC[C@@]2(CCCC[NH2+]2)C1 ZINC001239016887 780528949 /nfs/dbraw/zinc/52/89/49/780528949.db2.gz ZOCWAPFFTOTRPQ-NSHDSACASA-N 2 0 276.406 -1.308 20 0 CAADRP O=S(=O)([C@@H]1CC[NH2+]C1)N1CCN[C@]2(CC[NH2+]C2)C1 ZINC001239030171 780528980 /nfs/dbraw/zinc/52/89/80/780528980.db2.gz DPJHWOUPTRNRCB-MNOVXSKESA-N 2 0 274.390 -1.685 20 0 CAADRP [NH3+]CCS(=O)(=O)N1CCO[C@]2(C1)C[NH2+]CCOC2 ZINC001239022656 780529016 /nfs/dbraw/zinc/52/90/16/780529016.db2.gz CTQDLADGRLBXAF-JTQLQIEISA-N 2 0 279.362 -2.034 20 0 CAADRP [NH3+]CCS(=O)(=O)N1CCCO[C@@]2(C[NH2+]CCOC2)C1 ZINC001239044393 780529133 /nfs/dbraw/zinc/52/91/33/780529133.db2.gz JLISGUSGNSMJFR-NSHDSACASA-N 2 0 293.389 -1.644 20 0 CAADRP [NH3+]CCS(=O)(=O)N1CC[C@@]23C[NH2+]C[C@@H](C[C@@H]2C1)O3 ZINC001239069074 780529237 /nfs/dbraw/zinc/52/92/37/780529237.db2.gz HUSPRNKXFFVGLY-GMTAPVOTSA-N 2 0 275.374 -1.272 20 0 CAADRP [NH3+]CCS(=O)(=O)N1CCCO[C@]2(C[NH2+]CCOC2)C1 ZINC001239044389 780529255 /nfs/dbraw/zinc/52/92/55/780529255.db2.gz JLISGUSGNSMJFR-LLVKDONJSA-N 2 0 293.389 -1.644 20 0 CAADRP O=S(=O)([C@H]1CC[NH2+]C1)N1CCN[C@@]2(CC[NH2+]C2)C1 ZINC001239030183 780529296 /nfs/dbraw/zinc/52/92/96/780529296.db2.gz DPJHWOUPTRNRCB-WDEREUQCSA-N 2 0 274.390 -1.685 20 0 CAADRP O=S(=O)([C@@H]1CC[NH2+]C1)N1CCNC[C@]12CC[NH2+]C2 ZINC001239028301 780529306 /nfs/dbraw/zinc/52/93/06/780529306.db2.gz YGSOOIGOGCIZBF-GHMZBOCLSA-N 2 0 274.390 -1.685 20 0 CAADRP CC[N@@H+]1CCO[C@@H]2CN(S(=O)(=O)CC[NH3+])C[C@@H]2C1 ZINC001239080647 780529652 /nfs/dbraw/zinc/52/96/52/780529652.db2.gz CDVPALQAGLVDAS-WDEREUQCSA-N 2 0 277.390 -1.073 20 0 CAADRP [NH3+]CCS(=O)(=O)N1CCN(C2CC[NH2+]CC2)CC1 ZINC001239083873 780529916 /nfs/dbraw/zinc/52/99/16/780529916.db2.gz AGILVPIXMSBJOK-UHFFFAOYSA-N 2 0 276.406 -1.356 20 0 CAADRP COC(=O)[C@@H]1C[C@H]([NH3+])CN1S(=O)(=O)C1CC[NH2+]CC1 ZINC001239121714 780531376 /nfs/dbraw/zinc/53/13/76/780531376.db2.gz SBXGYOBCAKPJFU-WPRPVWTQSA-N 2 0 291.373 -1.357 20 0 CAADRP [NH3+]C[C@H]1COCCN1S(=O)(=O)CC1CC[NH2+]CC1 ZINC001239110983 780531450 /nfs/dbraw/zinc/53/14/50/780531450.db2.gz KAVQQANYLBYAHN-NSHDSACASA-N 2 0 277.390 -1.025 20 0 CAADRP [NH3+]CCS(=O)(=O)N1CC(O)([C@@H]2CCCC[NH2+]2)C1 ZINC001239119594 780531711 /nfs/dbraw/zinc/53/17/11/780531711.db2.gz GZZFJRFFYUKXGP-VIFPVBQESA-N 2 0 263.363 -1.536 20 0 CAADRP [NH3+]CCS(=O)(=O)N1CCC[C@H](N2CC(C[NH3+])C2)C1 ZINC001239114035 780531889 /nfs/dbraw/zinc/53/18/89/780531889.db2.gz RJESMLONMPHSJR-NSHDSACASA-N 2 0 276.406 -1.370 20 0 CAADRP COC(=O)[C@H]1CN(S(=O)(=O)CC[NH3+])CC[C@@H]1[NH3+] ZINC001239143856 780534115 /nfs/dbraw/zinc/53/41/15/780534115.db2.gz BRONPSKJKAHQHB-YUMQZZPRSA-N 2 0 265.335 -1.903 20 0 CAADRP COCCCN([C@@H]1CC[NH2+]C1)S(=O)(=O)CC[NH3+] ZINC001239168599 780534176 /nfs/dbraw/zinc/53/41/76/780534176.db2.gz CKHRYZSCSRKCRJ-SNVBAGLBSA-N 2 0 265.379 -1.025 20 0 CAADRP C[NH+](C)CCNC(=S)N[C@]12CC[NH2+][C@H]1CC(=O)N2 ZINC001239366178 780535588 /nfs/dbraw/zinc/53/55/88/780535588.db2.gz IDDZJPWEAGACPB-GZMMTYOYSA-N 2 0 271.390 -1.410 20 0 CAADRP CCOC(=O)C1=C(NC(=S)NCC[NH3+])C[NH2+]C1 ZINC001239383438 780535529 /nfs/dbraw/zinc/53/55/29/780535529.db2.gz SGTMUOUFFNFLIS-UHFFFAOYSA-N 2 0 258.347 -1.170 20 0 CAADRP COC(=O)[C@@H]1CN(C(=S)NCC[NH+](C)C)C[C@@H]1[NH3+] ZINC001239451171 780537412 /nfs/dbraw/zinc/53/74/12/780537412.db2.gz HREPMLHRYLGSAT-BDAKNGLRSA-N 2 0 274.390 -1.145 20 0 CAADRP COC(=O)[C@H](CCC[NH3+])NC[C@@]1(O)CCC[NH2+]C1 ZINC001246010757 780538928 /nfs/dbraw/zinc/53/89/28/780538928.db2.gz ZYJCTUCUBLWBIS-CMPLNLGQSA-N 2 0 259.350 -1.029 20 0 CAADRP CCOC(=O)[C@H](N)C[NH2+]C[C@H](O)CC1(O)CC[NH2+]CC1 ZINC001246005176 780539018 /nfs/dbraw/zinc/53/90/18/780539018.db2.gz DDEKOGDPJBBAAX-GHMZBOCLSA-N 2 0 289.376 -1.668 20 0 CAADRP O[C@]1(CNC2CN(C3CC[NH2+]CC3)C2)CC[NH2+]C1 ZINC001245985247 780539091 /nfs/dbraw/zinc/53/90/91/780539091.db2.gz AUOHHUYYFGBXJZ-CYBMUJFWSA-N 2 0 254.378 -1.263 20 0 CAADRP O=C1C[C@H]2[NH2+]CC[C@@]2(NCC2(O)CC[NH2+]CC2)N1 ZINC001245987237 780539424 /nfs/dbraw/zinc/53/94/24/780539424.db2.gz XZWZFCMLAPBKLH-BXKDBHETSA-N 2 0 254.334 -1.731 20 0 CAADRP CCOC(=O)C1=C(NC[C@]2(O)CC[NH2+]C2)C[NH2+]C1 ZINC001246011242 780539436 /nfs/dbraw/zinc/53/94/36/780539436.db2.gz PUOWGDMPFFWWFK-LBPRGKRZSA-N 2 0 255.318 -1.279 20 0 CAADRP CCOC(=O)C[C@H](O)C[NH2+]CCCC[C@H]([NH3+])C(N)=O ZINC001246006466 780539599 /nfs/dbraw/zinc/53/95/99/780539599.db2.gz IFAFKMMYIQWLBY-UWVGGRQHSA-N 2 0 275.349 -1.127 20 0 CAADRP COC(=O)[C@H](O)CNC[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001245984757 780539664 /nfs/dbraw/zinc/53/96/64/780539664.db2.gz JVBVWWRCRJHHEI-WDEREUQCSA-N 2 0 271.361 -1.016 20 0 CAADRP O[C@@H](CN[C@@H]1CC12C[NH2+]C2)CC1(O)CC[NH2+]CC1 ZINC001246010352 780539757 /nfs/dbraw/zinc/53/97/57/780539757.db2.gz MTSLAGXJTPUARV-GHMZBOCLSA-N 2 0 255.362 -1.197 20 0 CAADRP COC(=O)[C@@H](O)CNC[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001245984755 780539851 /nfs/dbraw/zinc/53/98/51/780539851.db2.gz JVBVWWRCRJHHEI-QWRGUYRKSA-N 2 0 271.361 -1.016 20 0 CAADRP CNC(=O)[C@H](CCCC[NH3+])[NH2+]CC1(O)CC[NH2+]CC1 ZINC001246019652 780540011 /nfs/dbraw/zinc/54/00/11/780540011.db2.gz LMNMGSBZRRTXFF-NSHDSACASA-N 3 0 272.393 -1.066 20 0 CAADRP O=C1C[C@@H]2[NH2+]CC[C@]2(NC[C@@]2(O)CCC[NH2+]C2)N1 ZINC001245985698 780540050 /nfs/dbraw/zinc/54/00/50/780540050.db2.gz SJYBLMXEOXWDMY-WCQGTBRESA-N 2 0 254.334 -1.731 20 0 CAADRP OC1(CN2CCNC[C@@]23CC[NH2+]C3)CC[NH2+]CC1 ZINC001246027516 780540572 /nfs/dbraw/zinc/54/05/72/780540572.db2.gz KUENCGZFYVGJNH-LBPRGKRZSA-N 2 0 254.378 -1.262 20 0 CAADRP [NH3+]C[C@]1(O)CCCC[N@H+](C[C@@H](O)CN2CCOCC2)C1 ZINC001246022424 780540670 /nfs/dbraw/zinc/54/06/70/780540670.db2.gz NUWHUEKWCXHDEH-UONOGXRCSA-N 2 0 287.404 -1.145 20 0 CAADRP O[C@H](CN1CCOCC1)C[N@@H+]1CCNC2(CC[NH2+]CC2)C1 ZINC001246030004 780540687 /nfs/dbraw/zinc/54/06/87/780540687.db2.gz NPOJNHZSSIPIBG-CQSZACIVSA-N 2 0 298.431 -1.293 20 0 CAADRP O[C@@H](CN1CCN[C@@]2(CC[NH2+]C2)C1)CC1(O)CC[NH2+]CC1 ZINC001246023452 780540754 /nfs/dbraw/zinc/54/07/54/780540754.db2.gz DQOFPLGZAPREJS-ZIAGYGMSSA-N 2 0 298.431 -1.511 20 0 CAADRP O[C@@]1(CN2CCNC[C@@]23CC[NH2+]C3)CCC[NH2+]C1 ZINC001246025313 780540891 /nfs/dbraw/zinc/54/08/91/780540891.db2.gz HEDZHYOIHQDSPM-STQMWFEESA-N 2 0 254.378 -1.262 20 0 CAADRP COC(=O)[C@@H](O)C[N@@H+]1CCNC2(CC[NH2+]CC2)C1 ZINC001246033357 780540954 /nfs/dbraw/zinc/54/09/54/780540954.db2.gz VGLNKCJZGBECFD-JTQLQIEISA-N 2 0 257.334 -1.452 20 0 CAADRP COC(=O)[C@H]1C[N@H+](CC2(O)CC[NH2+]CC2)C[C@@H]1N ZINC001246049440 780540986 /nfs/dbraw/zinc/54/09/86/780540986.db2.gz AYYYDKYRRMFKAH-UWVGGRQHSA-N 2 0 257.334 -1.467 20 0 CAADRP O[C@@]1(CN2CCN[C@H]3CC[NH2+]CC[C@@H]32)CC[NH2+]C1 ZINC001246022387 780541288 /nfs/dbraw/zinc/54/12/88/780541288.db2.gz JPQCWXLXJDXRHE-AVGNSLFASA-N 2 0 254.378 -1.263 20 0 CAADRP COC(=O)[C@@H]1C[N@H+](CC2(O)CC[NH2+]CC2)C[C@H]1N ZINC001246049435 780541419 /nfs/dbraw/zinc/54/14/19/780541419.db2.gz AYYYDKYRRMFKAH-NXEZZACHSA-N 2 0 257.334 -1.467 20 0 CAADRP COC(=O)[C@@H]1C[N@H+](CC2(O)CC[NH2+]CC2)C[C@@H]1N ZINC001246049447 780541509 /nfs/dbraw/zinc/54/15/09/780541509.db2.gz AYYYDKYRRMFKAH-ZJUUUORDSA-N 2 0 257.334 -1.467 20 0 CAADRP COC(=O)[C@@H]1C[NH2+]CCN1CC1(O)CC[NH2+]CC1 ZINC001246049423 780541532 /nfs/dbraw/zinc/54/15/32/780541532.db2.gz REVVPOKQDOECSC-JTQLQIEISA-N 2 0 257.334 -1.452 20 0 CAADRP OC1(C[N@@H+]2CCN[C@@]3(CC[NH2+]C3)C2)CC[NH2+]CC1 ZINC001246026912 780541615 /nfs/dbraw/zinc/54/16/15/780541615.db2.gz OFTDERKTBYAVHZ-GFCCVEGCSA-N 3 0 254.378 -1.262 20 0 CAADRP [NH3+]C[C@@]1(O)CCCC[N@H+](C[C@H](O)CN2CCOCC2)C1 ZINC001246022422 780541838 /nfs/dbraw/zinc/54/18/38/780541838.db2.gz NUWHUEKWCXHDEH-KGLIPLIRSA-N 2 0 287.404 -1.145 20 0 CAADRP O[C@]1(CN2CCNC[C@@]23CC[NH2+]C3)CCC[NH2+]C1 ZINC001246025312 780541896 /nfs/dbraw/zinc/54/18/96/780541896.db2.gz HEDZHYOIHQDSPM-QWHCGFSZSA-N 2 0 254.378 -1.262 20 0 CAADRP [NH3+]C[C@@]1(O)CCC[N@H+](C[C@@H](O)CN2CCOCC2)CC1 ZINC001246021268 780541918 /nfs/dbraw/zinc/54/19/18/780541918.db2.gz NLVRGHWSUOROQP-ZIAGYGMSSA-N 2 0 287.404 -1.145 20 0 CAADRP COC(=O)[C@@H]1C[C@@H]([NH3+])CN1CC1(O)CC[NH2+]CC1 ZINC001246062711 780542286 /nfs/dbraw/zinc/54/22/86/780542286.db2.gz IEMFKDSWOBRWJI-ZJUUUORDSA-N 2 0 257.334 -1.325 20 0 CAADRP O=C(CC[NH2+][C@@H]1CCNC2(C[NH2+]C2)C1)N1CCOCC1 ZINC001246076597 780542343 /nfs/dbraw/zinc/54/23/43/780542343.db2.gz FKLGKTAMVCYTSY-GFCCVEGCSA-N 2 0 282.388 -1.081 20 0 CAADRP COC(=O)[C@@H]1C[C@H]([NH3+])CN1C[C@]1(O)CCC[NH2+]C1 ZINC001246060626 780542409 /nfs/dbraw/zinc/54/24/09/780542409.db2.gz CLQCHFRSOXXQHL-NHCYSSNCSA-N 2 0 257.334 -1.325 20 0 CAADRP COC(=O)[C@@H]1C[C@H]([NH3+])CN1C[C@@]1(O)CCC[NH2+]C1 ZINC001246060613 780542819 /nfs/dbraw/zinc/54/28/19/780542819.db2.gz CLQCHFRSOXXQHL-JBLDHEPKSA-N 2 0 257.334 -1.325 20 0 CAADRP CCOC[C@@H](O)CN1CC[NH2+]CCNCC[NH2+]CC1 ZINC001246058544 780542873 /nfs/dbraw/zinc/54/28/73/780542873.db2.gz WSJDSEJYWQZOFQ-ZDUSSCGKSA-N 2 0 274.409 -1.532 20 0 CAADRP O[C@@H](CN1CC[NH2+]CCNCC[NH2+]CC1)C(F)(F)F ZINC001246057865 780542980 /nfs/dbraw/zinc/54/29/80/780542980.db2.gz SWVVWAWSVXZVGZ-JTQLQIEISA-N 2 0 284.326 -1.006 20 0 CAADRP OC1(C[NH+]2CCNCC[NH2+]CCNCC2)CC[NH2+]CC1 ZINC001246058435 780543094 /nfs/dbraw/zinc/54/30/94/780543094.db2.gz VJGCWKJKPJQOGB-UHFFFAOYSA-N 3 0 285.436 -1.815 20 0 CAADRP O[C@H](CN1C[C@@H]2C[NH2+]C[C@H]21)CC1(O)CC[NH2+]CC1 ZINC001246053322 780543250 /nfs/dbraw/zinc/54/32/50/780543250.db2.gz NSQJFBZOSKTSLV-SDDRHHMPSA-N 2 0 255.362 -1.245 20 0 CAADRP C([NH2+][C@H]1CCNC2(C[NH2+]C2)C1)c1nnc2n1CCC[NH2+]C2 ZINC001246128426 780543640 /nfs/dbraw/zinc/54/36/40/780543640.db2.gz CMLMYRSCPHLBRI-NSHDSACASA-N 3 0 291.403 -1.045 20 0 CAADRP C(C[NH2+][C@H]1CCNC2(C[NH2+]C2)C1)CN1CC[NH2+]CC1 ZINC001246115257 780543647 /nfs/dbraw/zinc/54/36/47/780543647.db2.gz RCHPUVZXYJHXCA-ZDUSSCGKSA-N 3 0 267.421 -1.035 20 0 CAADRP COC(=O)[C@@H]1C[C@@H]([NH2+]C[C@H]2CC3(C[NH2+]C3)CO2)CN1 ZINC001246123548 780543696 /nfs/dbraw/zinc/54/36/96/780543696.db2.gz FEDXONFDBQITMQ-MXWKQRLJSA-N 2 0 269.345 -1.142 20 0 CAADRP COC(=O)[C@@H]1CC[C@H]([NH2+]C2(CO)CC[NH2+]CC2)CN1 ZINC001246119984 780543979 /nfs/dbraw/zinc/54/39/79/780543979.db2.gz YJBIGAFVSGSYJE-QWRGUYRKSA-N 2 0 271.361 -1.016 20 0 CAADRP O=S1(=O)CC[C@@H]([NH2+][C@@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246091076 780544109 /nfs/dbraw/zinc/54/41/09/780544109.db2.gz BKGJRDVCAXSHBN-NXEZZACHSA-N 2 0 259.375 -1.143 20 0 CAADRP COC(=O)[C@@H]1C[C@H]([NH2+]C[C@H]2COC3(C[NH2+]C3)C2)CN1 ZINC001246132852 780544184 /nfs/dbraw/zinc/54/41/84/780544184.db2.gz INRNZDKFLZDVBC-DCAQKATOSA-N 2 0 269.345 -1.142 20 0 CAADRP COC(=O)[C@@H]1CC[C@H]([NH2+]CCN2CC[NH2+]CC2)CN1 ZINC001246119118 780544235 /nfs/dbraw/zinc/54/42/35/780544235.db2.gz BRSYXDHUWKGUCD-RYUDHWBXSA-N 2 0 270.377 -1.225 20 0 CAADRP C([NH2+][C@@H]1CCNC2(C[NH2+]C2)C1)[C@@H]1CO[C@@H]2C[NH2+]C[C@H]12 ZINC001246130902 780544266 /nfs/dbraw/zinc/54/42/66/780544266.db2.gz HQTPBSMTFJPTQZ-FDYHWXHSSA-N 3 0 266.389 -1.096 20 0 CAADRP COC(=O)[C@@H]1C[C@H]([NH2+]CCN2CC[NH2+]CC2)CN1 ZINC001246119513 780544274 /nfs/dbraw/zinc/54/42/74/780544274.db2.gz FXJZBGDZXWVUHX-QWRGUYRKSA-N 2 0 256.350 -1.615 20 0 CAADRP COC(=O)[C@@H]1C[C@H]([NH2+]CCCN2CC[NH2+]CC2)CN1 ZINC001246112174 780544291 /nfs/dbraw/zinc/54/42/91/780544291.db2.gz DEUSYLIHIALVKG-RYUDHWBXSA-N 2 0 270.377 -1.225 20 0 CAADRP COC(=O)[C@@H]1C[C@@H]([NH2+]C[C@]2(O)CC[NH2+]C[C@@H]2F)CN1 ZINC001246085030 780544325 /nfs/dbraw/zinc/54/43/25/780544325.db2.gz VNOOCDXOOVUJQG-FYLLDIAZSA-N 2 0 275.324 -1.458 20 0 CAADRP CS(=O)(=O)N(CC[NH3+])[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246087588 780544368 /nfs/dbraw/zinc/54/43/68/780544368.db2.gz ZADFMQNFPNSFAY-SECBINFHSA-N 2 0 262.379 -1.699 20 0 CAADRP C([NH2+][C@@H]1CCNC2(C[NH2+]C2)C1)[C@]12C[NH2+]C[C@H]1COC2 ZINC001246132604 780544400 /nfs/dbraw/zinc/54/44/00/780544400.db2.gz FIMWGJVCZCLBIT-XQQFMLRXSA-N 3 0 266.389 -1.094 20 0 CAADRP COC(=O)[C@@H]1C[C@@H]([NH2+]C[C@@H]2COC3(C[NH2+]C3)C2)CN1 ZINC001246132860 780544430 /nfs/dbraw/zinc/54/44/30/780544430.db2.gz INRNZDKFLZDVBC-MXWKQRLJSA-N 2 0 269.345 -1.142 20 0 CAADRP O=S1(=O)CC[C@@H]([NH2+][C@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246091082 780544491 /nfs/dbraw/zinc/54/44/91/780544491.db2.gz BKGJRDVCAXSHBN-VHSXEESVSA-N 2 0 259.375 -1.143 20 0 CAADRP C1NCC12OCC[C@@H]2[NH2+][C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246122759 780544514 /nfs/dbraw/zinc/54/45/14/780544514.db2.gz COKYUFUNGPKTKM-MNOVXSKESA-N 2 0 252.362 -1.199 20 0 CAADRP C([NH2+][C@H]1CCNC2(C[NH2+]C2)C1)[C@@H]1CO[C@@H]2C[NH2+]C[C@H]12 ZINC001246130903 780544557 /nfs/dbraw/zinc/54/45/57/780544557.db2.gz HQTPBSMTFJPTQZ-YVECIDJPSA-N 3 0 266.389 -1.096 20 0 CAADRP O=C(CC[NH2+][C@@H]1CCNC2(C[NH2+]C2)C1)N1CC[NH2+]CC1 ZINC001246105393 780544574 /nfs/dbraw/zinc/54/45/74/780544574.db2.gz BGSQCRNTZWHKBR-GFCCVEGCSA-N 3 0 281.404 -1.508 20 0 CAADRP COC(=O)[C@@H]1C[C@H]([NH2+]C[C@@H]2CO[C@@H]3C[NH2+]C[C@H]23)CN1 ZINC001246133125 780544640 /nfs/dbraw/zinc/54/46/40/780544640.db2.gz OREZPDZUWDTJPE-CSYMLDBXSA-N 2 0 269.345 -1.286 20 0 CAADRP O=S1(=O)CC[C@H](N[C@@H]2CCC[NH2+]C2)C12C[NH2+]C2 ZINC001246138817 780545198 /nfs/dbraw/zinc/54/51/98/780545198.db2.gz CASIJXQOQLOOKO-ZJUUUORDSA-N 2 0 259.375 -1.143 20 0 CAADRP C([NH2+][C@H]1CCNC2(C[NH2+]C2)C1)[C@@]12C[NH2+][C@@H](CO1)C2 ZINC001246150931 780545211 /nfs/dbraw/zinc/54/52/11/780545211.db2.gz UUUYYEJLHINILV-LOWVWBTDSA-N 3 0 252.362 -1.199 20 0 CAADRP COC(=O)[C@H](CC[NH3+])N[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246153796 780545771 /nfs/dbraw/zinc/54/57/71/780545771.db2.gz NVZQXJPVCSLMTK-UWVGGRQHSA-N 2 0 256.350 -1.440 20 0 CAADRP COC(=O)[C@@H]1C[C@H]([NH2+]C[C@@H]2C[C@@H]3C[NH2+]C[C@@H]3O2)CN1 ZINC001246134984 780545928 /nfs/dbraw/zinc/54/59/28/780545928.db2.gz WUXNFYKWEVTRTF-DGORSVRFSA-N 2 0 269.345 -1.144 20 0 CAADRP O=S1(=O)CC[C@H](N[C@H]2CCC[NH2+]C2)C12C[NH2+]C2 ZINC001246138814 780546079 /nfs/dbraw/zinc/54/60/79/780546079.db2.gz CASIJXQOQLOOKO-UWVGGRQHSA-N 2 0 259.375 -1.143 20 0 CAADRP C1[NH2+]CC12C[C@@H](N[C@@H]1C[NH2+][C@@H]3COC[C@H]13)CCN2 ZINC001246133921 780546145 /nfs/dbraw/zinc/54/61/45/780546145.db2.gz KTCFEQIORRHMPR-IRCOFANPSA-N 2 0 252.362 -1.343 20 0 CAADRP O=C1CC[C@H]([NH2+][C@H]2CCNC3(C[NH2+]C3)C2)C(=O)N1 ZINC001246188889 780546947 /nfs/dbraw/zinc/54/69/47/780546947.db2.gz XFEWIMDVEXAUQD-IUCAKERBSA-N 2 0 252.318 -1.525 20 0 CAADRP COC(=O)[C@@H]1CC[C@@H]([NH2+]CC2(O)CC[NH2+]CC2)CN1 ZINC001246173180 780546951 /nfs/dbraw/zinc/54/69/51/780546951.db2.gz JWOKZZPAAHNJCB-MNOVXSKESA-N 2 0 271.361 -1.016 20 0 CAADRP O=C1CC[C@@H]([NH2+][C@H]2CCNC3(C[NH2+]C3)C2)C(=O)N1 ZINC001246188888 780546974 /nfs/dbraw/zinc/54/69/74/780546974.db2.gz XFEWIMDVEXAUQD-DTWKUNHWSA-N 2 0 252.318 -1.525 20 0 CAADRP O=C1C[C@@H]2[NH2+]CC[C@]2(N[C@@H]2CCNC3(C[NH2+]C3)C2)N1 ZINC001246154096 780547080 /nfs/dbraw/zinc/54/70/80/780547080.db2.gz SZCRFIQSHGNFCK-NRUUGDAUSA-N 2 0 265.361 -1.752 20 0 CAADRP CN([C@@H]1CCNC2(C[NH2+]C2)C1)S(=O)(=O)CC[NH3+] ZINC001246184785 780547094 /nfs/dbraw/zinc/54/70/94/780547094.db2.gz OCWWBNCYSDALIV-SECBINFHSA-N 2 0 262.379 -1.699 20 0 CAADRP CN([C@H]1CCNC2(C[NH2+]C2)C1)S(=O)(=O)CC[NH3+] ZINC001246184787 780547225 /nfs/dbraw/zinc/54/72/25/780547225.db2.gz OCWWBNCYSDALIV-VIFPVBQESA-N 2 0 262.379 -1.699 20 0 CAADRP COC(=O)[C@@H]1C[C@@H]([NH2+][C@H]2CCNC3(C[NH2+]C3)C2)CN1 ZINC001246183751 780547298 /nfs/dbraw/zinc/54/72/98/780547298.db2.gz HUGTXHPMVDVJTH-AXFHLTTASA-N 2 0 268.361 -1.427 20 0 CAADRP O=C(C[NH2+][C@@H]1CCNC2(C[NH2+]C2)C1)N1CCOCC1 ZINC001246171141 780547488 /nfs/dbraw/zinc/54/74/88/780547488.db2.gz CAOPUJYUGDLPJK-LLVKDONJSA-N 2 0 268.361 -1.471 20 0 CAADRP O=S1(=O)C=C[C@H]([NH2+][C@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246172072 780547520 /nfs/dbraw/zinc/54/75/20/780547520.db2.gz BGFQCSYASZMEBG-UWVGGRQHSA-N 2 0 257.359 -1.019 20 0 CAADRP COC(=O)[C@@H]1C[C@@H]([NH2+][C@@H]2CCNC3(C[NH2+]C3)C2)CN1 ZINC001246183760 780547594 /nfs/dbraw/zinc/54/75/94/780547594.db2.gz HUGTXHPMVDVJTH-MXWKQRLJSA-N 2 0 268.361 -1.427 20 0 CAADRP COC(=O)[C@@H]1C[C@@H](NC(=[NH2+])NCCCC[NH3+])CN1 ZINC001246209842 780548188 /nfs/dbraw/zinc/54/81/88/780548188.db2.gz JWUJRDNUMILBSD-BDAKNGLRSA-N 2 0 257.338 -1.257 20 0 CAADRP COC(=O)[C@@H](CCC[NH3+])N[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246215351 780548259 /nfs/dbraw/zinc/54/82/59/780548259.db2.gz SPDCDYOEIPTYSD-WDEREUQCSA-N 2 0 270.377 -1.050 20 0 CAADRP COC(=O)[C@@H]1CC[C@@H](NC2(C[NH3+])CC[NH2+]CC2)CN1 ZINC001246226218 780548385 /nfs/dbraw/zinc/54/83/85/780548385.db2.gz BKPGLHOSDCRKQW-MNOVXSKESA-N 2 0 270.377 -1.050 20 0 CAADRP COC(=O)[C@@H]1CC[C@H]([NH2+]C[C@@]2(O)CC[NH2+]C2)CN1 ZINC001246214342 780548711 /nfs/dbraw/zinc/54/87/11/780548711.db2.gz HGWVKWMKQJMWFE-JBLDHEPKSA-N 2 0 257.334 -1.406 20 0 CAADRP OCCOCCOCC[NH2+][C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246215960 780548734 /nfs/dbraw/zinc/54/87/34/780548734.db2.gz ZHKILIUVFBBMOJ-GFCCVEGCSA-N 2 0 273.377 -1.305 20 0 CAADRP CS(=O)(=O)N1CC([NH2+][C@@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246218545 780548771 /nfs/dbraw/zinc/54/87/71/780548771.db2.gz UYUWQXMLXQXGMU-SECBINFHSA-N 2 0 274.390 -1.686 20 0 CAADRP O[C@]1(C[NH2+][C@H]2CCNC3(C[NH2+]C3)C2)CCC[NH2+]C1 ZINC001246233049 780548890 /nfs/dbraw/zinc/54/88/90/780548890.db2.gz SIESOPHIIFNJGH-WCQYABFASA-N 3 0 254.378 -1.216 20 0 CAADRP OCC1(CO)CC([NH2+][C@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246213980 780548947 /nfs/dbraw/zinc/54/89/47/780548947.db2.gz HGCDNJVZAZWJQW-JTQLQIEISA-N 2 0 255.362 -1.197 20 0 CAADRP [NH2+]=C(NCCCC[NH3+])N[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246208823 780549053 /nfs/dbraw/zinc/54/90/53/780549053.db2.gz FKVPXFJWUOURND-SNVBAGLBSA-N 3 0 254.382 -1.067 20 0 CAADRP COC(=O)[C@@H]1C[C@H](NC(=[NH2+])NCCCC[NH3+])CN1 ZINC001246209860 780549082 /nfs/dbraw/zinc/54/90/82/780549082.db2.gz JWUJRDNUMILBSD-IUCAKERBSA-N 2 0 257.338 -1.257 20 0 CAADRP COC(=O)[C@@H](C[NH3+])C[NH2+][C@@H]1CC[C@@H](C(=O)OC)NC1 ZINC001246234453 780549400 /nfs/dbraw/zinc/54/94/00/780549400.db2.gz IGONFFMVKMYFGW-AEJSXWLSSA-N 2 0 273.333 -1.383 20 0 CAADRP COC(=O)[C@@H]1CC[C@H]([NH2+]C[C@@H]2CC[NH2+]C[C@H]2O)CN1 ZINC001246235535 780549710 /nfs/dbraw/zinc/54/97/10/780549710.db2.gz HWKUSUCMMUFESY-FIQHERPVSA-N 2 0 271.361 -1.160 20 0 CAADRP O[C@@H]1C[NH2+]CC[C@H]1C[NH2+][C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246237464 780549724 /nfs/dbraw/zinc/54/97/24/780549724.db2.gz OPYLBWRYLUMYEO-SDDRHHMPSA-N 3 0 254.378 -1.360 20 0 CAADRP COC(=O)[C@@H]1CC[C@@H]([NH2+]C[C@@]2(O)CCC[NH2+]C2)CN1 ZINC001246234816 780549735 /nfs/dbraw/zinc/54/97/35/780549735.db2.gz WOVKDVNGEKGSPN-NTZNESFSSA-N 2 0 271.361 -1.016 20 0 CAADRP COC(=O)[C@H](C[NH3+])C[NH2+][C@@H]1CC[C@@H](C(=O)OC)NC1 ZINC001246234456 780549934 /nfs/dbraw/zinc/54/99/34/780549934.db2.gz IGONFFMVKMYFGW-BBBLOLIVSA-N 2 0 273.333 -1.383 20 0 CAADRP O[C@@H]1C[NH2+]CC[C@H]1C[NH2+][C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246237461 780550080 /nfs/dbraw/zinc/55/00/80/780550080.db2.gz OPYLBWRYLUMYEO-QJPTWQEYSA-N 3 0 254.378 -1.360 20 0 CAADRP C[C@]1([NH2+][C@H]2CCNC3(C[NH2+]C3)C2)CCC(=O)NC1=O ZINC001246291373 780550815 /nfs/dbraw/zinc/55/08/15/780550815.db2.gz SPFMVAILHUVXIN-CABZTGNLSA-N 2 0 266.345 -1.135 20 0 CAADRP COC(=O)[C@@H]1CC[C@H]([NH2+]CCOCCOCC[NH3+])CN1 ZINC001246281847 780551063 /nfs/dbraw/zinc/55/10/63/780551063.db2.gz ACDPALWRBHHFRW-RYUDHWBXSA-N 2 0 289.376 -1.139 20 0 CAADRP CCOC(=O)CN(CC[NH3+])[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246305693 780551073 /nfs/dbraw/zinc/55/10/73/780551073.db2.gz PLWWVVQEINMZFD-LLVKDONJSA-N 2 0 270.377 -1.096 20 0 CAADRP CCOC(=O)CN(CC[NH3+])[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246305722 780551199 /nfs/dbraw/zinc/55/11/99/780551199.db2.gz PLWWVVQEINMZFD-NSHDSACASA-N 2 0 270.377 -1.096 20 0 CAADRP CCOC(=O)C1(N[C@H]2CCNC3(C[NH2+]C3)C2)C[NH2+]C1 ZINC001246343074 780552021 /nfs/dbraw/zinc/55/20/21/780552021.db2.gz FBSZWVURTZLFGU-JTQLQIEISA-N 2 0 268.361 -1.425 20 0 CAADRP COC(=O)[C@@H]1CNCC[C@@H]1[NH2+][C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246332085 780552216 /nfs/dbraw/zinc/55/22/16/780552216.db2.gz YXTMCWNLSYDVOR-TUAOUCFPSA-N 2 0 282.388 -1.179 20 0 CAADRP COC(=O)[C@@H]1C[C@H]([NH2+]CCN(CC[NH3+])N(O)N=O)CN1 ZINC001246350057 780552429 /nfs/dbraw/zinc/55/24/29/780552429.db2.gz JSVGWHHNQUJYJR-IUCAKERBSA-N 2 0 290.324 -1.972 20 0 CAADRP COC(=O)[C@@H]1C[C@@H]([NH2+]CCN(CC[NH3+])N(O)N=O)CN1 ZINC001246350050 780552746 /nfs/dbraw/zinc/55/27/46/780552746.db2.gz JSVGWHHNQUJYJR-BDAKNGLRSA-N 2 0 290.324 -1.972 20 0 CAADRP O=C1C[C@H](C[NH2+][C@@H]2CCNC3(C[NH2+]C3)C2)C(=O)N1 ZINC001246313719 780552761 /nfs/dbraw/zinc/55/27/61/780552761.db2.gz SKJNMUKTQLZCKI-RKDXNWHRSA-N 2 0 252.318 -1.667 20 0 CAADRP [NH3+]CCN(CC[NH2+][C@H]1CCNC2(C[NH2+]C2)C1)N(O)N=O ZINC001246353889 780552787 /nfs/dbraw/zinc/55/27/87/780552787.db2.gz WBENCYHYQXLHHV-JTQLQIEISA-N 3 0 287.368 -1.782 20 0 CAADRP COC(=O)[C@@H]1C[C@H]([NH2+]CCCC[C@H]([NH3+])C(N)=O)CCN1 ZINC001246420087 780553221 /nfs/dbraw/zinc/55/32/21/780553221.db2.gz WNQSMGWZBQKRRM-VWYCJHECSA-N 2 0 286.376 -1.148 20 0 CAADRP COC(=O)CC[C@H]([NH2+][C@@H]1CCNC2(C[NH2+]C2)C1)C(N)=O ZINC001246390898 780553230 /nfs/dbraw/zinc/55/32/30/780553230.db2.gz QDZWTUAQNSNHKB-ZJUUUORDSA-N 2 0 284.360 -1.523 20 0 CAADRP COC(=O)[C@H](CCC[NH3+])N[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246402029 780553238 /nfs/dbraw/zinc/55/32/38/780553238.db2.gz SPDCDYOEIPTYSD-QWRGUYRKSA-N 2 0 270.377 -1.050 20 0 CAADRP CCOC(=O)[C@@H]1C[C@H]([NH2+]CCNCC[NH3+])CCN1 ZINC001246403767 780553276 /nfs/dbraw/zinc/55/32/76/780553276.db2.gz HXJYSKHEFUSFSP-MNOVXSKESA-N 2 0 258.366 -1.192 20 0 CAADRP COC(=O)[C@H]1C[C@@H]([NH2+]CCCNCCC[NH3+])CN1 ZINC001246451471 780553469 /nfs/dbraw/zinc/55/34/69/780553469.db2.gz HGXQREQOCHCXPT-GHMZBOCLSA-N 2 0 258.366 -1.192 20 0 CAADRP COC(=O)[C@@H]1C[C@@H]([NH2+]CCCNCCC[NH3+])CN1 ZINC001246451473 780553628 /nfs/dbraw/zinc/55/36/28/780553628.db2.gz HGXQREQOCHCXPT-MNOVXSKESA-N 2 0 258.366 -1.192 20 0 CAADRP COC(=O)[C@@H]1C[C@@H]([NH2+]CCN2CCC([NH3+])CC2)CN1 ZINC001246404828 780553738 /nfs/dbraw/zinc/55/37/38/780553738.db2.gz LTKNPVISDIOGDI-NEPJUHHUSA-N 2 0 270.377 -1.097 20 0 CAADRP COC(=O)[C@@H]1C[C@H]([NH2+]CCN2CCC([NH3+])CC2)CN1 ZINC001246404830 780553811 /nfs/dbraw/zinc/55/38/11/780553811.db2.gz LTKNPVISDIOGDI-RYUDHWBXSA-N 2 0 270.377 -1.097 20 0 CAADRP [NH3+]CCNCCN[C@H]1C[NH2+][C@H](C(=O)N2CCSC2)C1 ZINC001246403811 780553844 /nfs/dbraw/zinc/55/38/44/780553844.db2.gz IAYUWFMUGHGRAM-MNOVXSKESA-N 2 0 287.433 -1.612 20 0 CAADRP COC(=O)CNC(=O)[C@H](C)[NH2+][C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246403730 780553968 /nfs/dbraw/zinc/55/39/68/780553968.db2.gz DAJFOKIYLGQYDA-UWVGGRQHSA-N 2 0 284.360 -1.652 20 0 CAADRP COC(=O)[C@@H]1C[C@@H]([NH2+]CCO[C@@H]2CC[NH2+]C2)CN1 ZINC001246372190 780554005 /nfs/dbraw/zinc/55/40/05/780554005.db2.gz YKLHFJYABYQIRJ-MXWKQRLJSA-N 2 0 257.334 -1.142 20 0 CAADRP CC[C@@]1(C(=O)OC)C[C@H]([NH2+]CCNCC[NH3+])CN1 ZINC001246405405 780554112 /nfs/dbraw/zinc/55/41/12/780554112.db2.gz OMDAYNXMOMKPNN-JQWIXIFHSA-N 2 0 258.366 -1.192 20 0 CAADRP COC(=O)CC[C@H]([NH2+][C@H]1CCNC2(C[NH2+]C2)C1)C(N)=O ZINC001246390896 780554271 /nfs/dbraw/zinc/55/42/71/780554271.db2.gz QDZWTUAQNSNHKB-UWVGGRQHSA-N 2 0 284.360 -1.523 20 0 CAADRP COC(=O)[C@H](N[C@@H]1CCNC2(C[NH2+]C2)C1)[C@@H]1CC[NH2+]C1 ZINC001246499007 780554888 /nfs/dbraw/zinc/55/48/88/780554888.db2.gz WJGKSEDBXIUEEB-IJLUTSLNSA-N 2 0 282.388 -1.179 20 0 CAADRP O=C([C@@H]1C[C@@H](NC[C@H]2C[NH2+]CCN2)C[NH2+]1)N1CCSC1 ZINC001246493680 780554912 /nfs/dbraw/zinc/55/49/12/780554912.db2.gz ZAGVDECNEUHEJJ-UTUOFQBUSA-N 2 0 299.444 -1.599 20 0 CAADRP NC(=O)CNC(=O)C[NH2+][C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246489937 780555171 /nfs/dbraw/zinc/55/51/71/780555171.db2.gz UNUWGFPIVULEHO-MRVPVSSYSA-N 2 0 255.322 -2.729 20 0 CAADRP COC(=O)[C@@H]1CC[C@H](N[C@H]2C[NH2+]CC[C@H]2[NH3+])CN1 ZINC001246498137 780555276 /nfs/dbraw/zinc/55/52/76/780555276.db2.gz UIGKSEFITDPNST-VLEAKVRGSA-N 2 0 256.350 -1.441 20 0 CAADRP C[N@H+](CCO)CCC[NH2+][C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246495584 780555303 /nfs/dbraw/zinc/55/53/03/780555303.db2.gz ZBLGSQZTUYMGQV-LBPRGKRZSA-N 3 0 256.394 -1.016 20 0 CAADRP COC(=O)[C@@H]1C[C@@H]([NH2+][C@@H]2CCNC3(C[NH2+]C3)C2)CCN1 ZINC001246461636 780555552 /nfs/dbraw/zinc/55/55/52/780555552.db2.gz DSHKZCUPQWEPFA-TUAOUCFPSA-N 2 0 282.388 -1.036 20 0 CAADRP C[C@H](NC(=O)[C@H](C)[NH2+][C@H]1CCNC2(C[NH2+]C2)C1)C(N)=O ZINC001246487857 780555696 /nfs/dbraw/zinc/55/56/96/780555696.db2.gz NARFXLMGVWPWKZ-GUBZILKMSA-N 2 0 283.376 -1.952 20 0 CAADRP O=C([C@@H]1C[C@@H](NC[C@@H]2C[NH2+]CCN2)C[NH2+]1)N1CCSC1 ZINC001246493681 780555771 /nfs/dbraw/zinc/55/57/71/780555771.db2.gz ZAGVDECNEUHEJJ-WOPDTQHZSA-N 2 0 299.444 -1.599 20 0 CAADRP CNC(=O)[C@H](CCCC[NH3+])[NH2+][C@H]1CN[C@H](C(=O)OC)C1 ZINC001246513274 780556429 /nfs/dbraw/zinc/55/64/29/780556429.db2.gz SCZATNGTVKEYJO-VWYCJHECSA-N 2 0 286.376 -1.277 20 0 CAADRP OC[C@@H]1C[N@@H+]([C@H]2CCNC3(C[NH2+]C3)C2)CC[C@H]1O ZINC001246588855 780556849 /nfs/dbraw/zinc/55/68/49/780556849.db2.gz LKQOEGAFYNXGMS-SDDRHHMPSA-N 2 0 255.362 -1.245 20 0 CAADRP OC[C@@H]1CC[N@@H+]([C@H]2CCNC3(C[NH2+]C3)C2)C[C@@H]1O ZINC001246575498 780556913 /nfs/dbraw/zinc/55/69/13/780556913.db2.gz MPUCFURJRIZVPD-SRVKXCTJSA-N 2 0 255.362 -1.245 20 0 CAADRP C1[NH2+]CC12C[C@H]([N@@H+]1CCN[C@@]3(CC[NH2+]C3)C1)CCN2 ZINC001246645140 780559652 /nfs/dbraw/zinc/55/96/52/780559652.db2.gz UANIJWTZZNOTCE-CHWSQXEVSA-N 3 0 265.405 -1.282 20 0 CAADRP O=C1CN([C@H]2CCNC3(C[NH2+]C3)C2)[C@]2(CC[NH2+]C2)CN1 ZINC001246627758 780560185 /nfs/dbraw/zinc/56/01/85/780560185.db2.gz ZOMOOWGZWUQZOQ-FZMZJTMJSA-N 2 0 279.388 -1.756 20 0 CAADRP O=C1NCCN([C@H]2CCNC3(C[NH2+]C3)C2)C12C[NH2+]C2 ZINC001246635345 780560375 /nfs/dbraw/zinc/56/03/75/780560375.db2.gz KQJHKZXUDJRNHQ-JTQLQIEISA-N 2 0 265.361 -2.146 20 0 CAADRP O=C1CN([C@@H]2CCNC3(C[NH2+]C3)C2)[C@@]2(CC[NH2+]C2)CN1 ZINC001246627208 780560580 /nfs/dbraw/zinc/56/05/80/780560580.db2.gz ZOMOOWGZWUQZOQ-BXUZGUMPSA-N 2 0 279.388 -1.756 20 0 CAADRP C1[NH2+]CC12C[C@@H](N1CCOCC13C[NH2+]C3)CCN2 ZINC001246634906 780560606 /nfs/dbraw/zinc/56/06/06/780560606.db2.gz IBJVIEDGIIEUGL-NSHDSACASA-N 2 0 252.362 -1.245 20 0 CAADRP O=C1NCCN([C@@H]2CCNC3(C[NH2+]C3)C2)C12C[NH2+]C2 ZINC001246635362 780560636 /nfs/dbraw/zinc/56/06/36/780560636.db2.gz KQJHKZXUDJRNHQ-SNVBAGLBSA-N 2 0 265.361 -2.146 20 0 CAADRP C1[NH2+]CC12C[C@H](N1CCO[C@H]3C[NH2+]C[C@H]31)CCN2 ZINC001246661734 780560686 /nfs/dbraw/zinc/56/06/86/780560686.db2.gz HSKNEYATXLXFDX-UTUOFQBUSA-N 2 0 252.362 -1.247 20 0 CAADRP COC(=O)[C@@H](O)C[N@H+](C)CCN1CC[NH+](C)CC1 ZINC001252420166 780585878 /nfs/dbraw/zinc/58/58/78/780585878.db2.gz JVDRFJKOVNVNKQ-NSHDSACASA-N 2 0 259.350 -1.301 20 0 CAADRP COC(=O)[C@H]1C[N@@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)CCN1 ZINC001246691820 780561044 /nfs/dbraw/zinc/56/10/44/780561044.db2.gz GAQKNQRZLHSSRD-GHMZBOCLSA-N 2 0 268.361 -1.473 20 0 CAADRP C1[NH2+]CC12C[C@@H]([N@H+]1C[C@H]3CNC[C@@H](C1)O3)CCN2 ZINC001246680058 780561471 /nfs/dbraw/zinc/56/14/71/780561471.db2.gz SNXXQCMUDIXNRI-SDDRHHMPSA-N 2 0 252.362 -1.247 20 0 CAADRP CN(C)C(=O)CN1CC[NH+]([C@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246781459 780561649 /nfs/dbraw/zinc/56/16/49/780561649.db2.gz PDXLQLLWMHKBNE-ZDUSSCGKSA-N 2 0 295.431 -1.214 20 0 CAADRP NC(=O)[C@H]1C[N@@H+]([C@H]2CCNC3(C[NH2+]C3)C2)CCN1 ZINC001246799322 780561679 /nfs/dbraw/zinc/56/16/79/780561679.db2.gz YEGBWZGTUIFDST-VHSXEESVSA-N 2 0 253.350 -2.161 20 0 CAADRP COC(=O)C[C@H]1C[NH2+]CCN1[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246811932 780561723 /nfs/dbraw/zinc/56/17/23/780561723.db2.gz AGYRNWRDDMRWSN-NEPJUHHUSA-N 2 0 282.388 -1.083 20 0 CAADRP NC(=O)[C@@H]1C[N@@H+]([C@H]2CCNC3(C[NH2+]C3)C2)CCN1 ZINC001246799320 780561774 /nfs/dbraw/zinc/56/17/74/780561774.db2.gz YEGBWZGTUIFDST-UWVGGRQHSA-N 2 0 253.350 -2.161 20 0 CAADRP C[C@H]1C[C@H](N2CC[NH2+]CCNCC[NH2+]CC2)C[NH2+]1 ZINC001246819016 780562619 /nfs/dbraw/zinc/56/26/19/780562619.db2.gz FLCWFSIXAKWFJM-STQMWFEESA-N 3 0 255.410 -1.179 20 0 CAADRP CCOC(=O)[C@@H]1C[C@@H](N(CC[NH3+])CC[NH3+])CCN1 ZINC001246831334 780562734 /nfs/dbraw/zinc/56/27/34/780562734.db2.gz NLYICQNPKFMXCP-QWRGUYRKSA-N 2 0 258.366 -1.111 20 0 CAADRP C[C@@H]1C[C@@H](N2CC[NH2+]CCNCC[NH2+]CC2)C[NH2+]1 ZINC001246818999 780562796 /nfs/dbraw/zinc/56/27/96/780562796.db2.gz FLCWFSIXAKWFJM-CHWSQXEVSA-N 3 0 255.410 -1.179 20 0 CAADRP NC(=O)CN1CC[NH+]([C@@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246847327 780562836 /nfs/dbraw/zinc/56/28/36/780562836.db2.gz SYXPJKVVZQAEIK-LLVKDONJSA-N 2 0 267.377 -1.817 20 0 CAADRP O=C1C[C@@H]([NH+]2CCNCC[NH2+]CCNCC2)CCN1 ZINC001246819055 780562898 /nfs/dbraw/zinc/56/28/98/780562898.db2.gz FRUQTGJUFQPCAE-LBPRGKRZSA-N 2 0 269.393 -1.651 20 0 CAADRP C[N@@H+]1CC[C@H](N2CC[NH2+]CCNCC[NH2+]CC2)C1 ZINC001246819689 780562912 /nfs/dbraw/zinc/56/29/12/780562912.db2.gz HQIMGSBBLJWSIR-ZDUSSCGKSA-N 3 0 255.410 -1.225 20 0 CAADRP COC(=O)[C@@H]1C[C@H](N2CC[NH2+]CCNCC[NH2+]CC2)CN1 ZINC001246822839 780562923 /nfs/dbraw/zinc/56/29/23/780562923.db2.gz SVZUPXORDNOPSX-STQMWFEESA-N 2 0 299.419 -2.026 20 0 CAADRP NC(=O)CN1CC[NH+]([C@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246847328 780562986 /nfs/dbraw/zinc/56/29/86/780562986.db2.gz SYXPJKVVZQAEIK-NSHDSACASA-N 2 0 267.377 -1.817 20 0 CAADRP C1[NH2+]CC12C[C@H](N1CC[NH2+]CCNCC[NH2+]CC1)CCO2 ZINC001246823226 780563035 /nfs/dbraw/zinc/56/30/35/780563035.db2.gz URLYNYLNWSFNLF-CQSZACIVSA-N 3 0 297.447 -1.408 20 0 CAADRP C1C[NH2+]C[C@@H](N2CC[NH2+]CCNCC[NH2+]CC2)C1 ZINC001246823832 780563240 /nfs/dbraw/zinc/56/32/40/780563240.db2.gz WTXZIUZEFATNCU-ZDUSSCGKSA-N 3 0 255.410 -1.177 20 0 CAADRP CC[C@]1(C(=O)OC)C[C@H](N(CC[NH3+])CC[NH3+])CN1 ZINC001246830678 780563355 /nfs/dbraw/zinc/56/33/55/780563355.db2.gz LJWJVIOSPPLMKF-CMPLNLGQSA-N 2 0 258.366 -1.111 20 0 CAADRP COC(=O)[C@H]1C[C@H](N2CC[NH2+]CCNCC[NH2+]CC2)CN1 ZINC001246822835 780563434 /nfs/dbraw/zinc/56/34/34/780563434.db2.gz SVZUPXORDNOPSX-QWHCGFSZSA-N 2 0 299.419 -2.026 20 0 CAADRP [NH3+]CCCNC(=O)CN(CCC[NH3+])C1CC[NH2+]CC1 ZINC001246919710 780563875 /nfs/dbraw/zinc/56/38/75/780563875.db2.gz JVASYXBAKFEWLN-UHFFFAOYSA-N 3 0 271.409 -1.146 20 0 CAADRP O=C1COC[C@H]2C[N@@H+]([C@H]3CCNC4(C[NH2+]C4)C3)CCN12 ZINC001246872329 780563998 /nfs/dbraw/zinc/56/39/98/780563998.db2.gz ROUCLEUGWFLHAW-NWDGAFQWSA-N 2 0 280.372 -1.377 20 0 CAADRP COC(=O)[C@@H]1C[C@@H]([N@H+](C)CCN2CC[NH2+]CC2)CN1 ZINC001246869581 780564045 /nfs/dbraw/zinc/56/40/45/780564045.db2.gz GEXMANKGGGSCRN-NEPJUHHUSA-N 2 0 270.377 -1.273 20 0 CAADRP COC(=O)[C@@H]1C[C@H]([NH3+])CN1[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246903020 780564235 /nfs/dbraw/zinc/56/42/35/780564235.db2.gz HJUOHURQFYARAP-DCAQKATOSA-N 2 0 268.361 -1.345 20 0 CAADRP COC(=O)[C@@H]1C[C@H]([N@H+](C)CCN2CC[NH2+]CC2)CN1 ZINC001246869594 780564293 /nfs/dbraw/zinc/56/42/93/780564293.db2.gz GEXMANKGGGSCRN-RYUDHWBXSA-N 2 0 270.377 -1.273 20 0 CAADRP C[N@H+](CCN1CC[NH2+]CC1)[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246871855 780564323 /nfs/dbraw/zinc/56/43/23/780564323.db2.gz NNSQHHKPQXWBDA-ZDUSSCGKSA-N 3 0 267.421 -1.083 20 0 CAADRP COC(=O)[C@@H]1C[N@@H+]([C@@H]2CCOC3(C[NH2+]C3)C2)C[C@@H]1N ZINC001246929939 780564621 /nfs/dbraw/zinc/56/46/21/780564621.db2.gz ITBUPACFQRVUEY-MXWKQRLJSA-N 2 0 269.345 -1.061 20 0 CAADRP OCC[C@H]1CN([C@@H]2CCNC3(C[NH2+]C3)C2)CC[NH2+]1 ZINC001246869215 780564769 /nfs/dbraw/zinc/56/47/69/780564769.db2.gz FVVIJJXXODWLMN-NWDGAFQWSA-N 2 0 254.378 -1.263 20 0 CAADRP COC(=O)[C@@H]1C[N@@H+]([C@H]2CCNC3(C[NH2+]C3)C2)C[C@@H]1N ZINC001246929774 780564908 /nfs/dbraw/zinc/56/49/08/780564908.db2.gz HQAHSXIRMJHCLW-AXFHLTTASA-N 2 0 268.361 -1.488 20 0 CAADRP COC(=O)[C@@H]1C[N@@H+]([C@H]2CCNC3(C[NH2+]C3)C2)CCN1C ZINC001246867618 780565150 /nfs/dbraw/zinc/56/51/50/780565150.db2.gz JLZUHWXIEFHZPH-RYUDHWBXSA-N 2 0 282.388 -1.131 20 0 CAADRP COC(=O)[C@@H]1C[N@@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)CCN1C ZINC001246867615 780565173 /nfs/dbraw/zinc/56/51/73/780565173.db2.gz JLZUHWXIEFHZPH-NEPJUHHUSA-N 2 0 282.388 -1.131 20 0 CAADRP COC(=O)[C@H]1CN(C2C[C@@H]3COC[C@H](C2)[NH2+]3)C[C@H]1[NH3+] ZINC001246932496 780566118 /nfs/dbraw/zinc/56/61/18/780566118.db2.gz PPYZIUHOHCRSHK-JQYRIEHKSA-N 2 0 269.345 -1.062 20 0 CAADRP C[NH+]1CCN(CC[NH2+]C[C@@H](O)CN2CCOCC2)CC1 ZINC001251033502 780570691 /nfs/dbraw/zinc/57/06/91/780570691.db2.gz LDNXJOMXUIZENY-CQSZACIVSA-N 2 0 286.420 -1.484 20 0 CAADRP CN(C)CC(=O)N[C@@H]1CCC[N@H+](C[C@H](O)CO)C1 ZINC001252063113 780582726 /nfs/dbraw/zinc/58/27/26/780582726.db2.gz ZNNHXLWXLGDDII-MNOVXSKESA-N 2 0 259.350 -1.518 20 0 CAADRP COC(=O)[C@H](O)C[N@H+](C)CCN1CC[NH+](C)CC1 ZINC001252420155 780585766 /nfs/dbraw/zinc/58/57/66/780585766.db2.gz JVDRFJKOVNVNKQ-LLVKDONJSA-N 2 0 259.350 -1.301 20 0 CAADRP COC(=O)[C@@H](O)C[N@H+]1CCC(=O)N(CC[NH+](C)C)CC1 ZINC001252427292 780585823 /nfs/dbraw/zinc/58/58/23/780585823.db2.gz HJSPIXPWLAJWKI-NSHDSACASA-N 2 0 287.360 -1.384 20 0 CAADRP CC[NH+](CC)C[C@@H](O)CNCCC[NH+](CCO)CCO ZINC001253203596 780592288 /nfs/dbraw/zinc/59/22/88/780592288.db2.gz IWPCSXMGGTZQBD-AWEZNQCLSA-N 2 0 291.436 -1.045 20 0 CAADRP C[C@@H]1[C@H](C(=O)N(C)C[C@@H](O)C[NH2+]CCO)CC[N@@H+]1C ZINC001278757009 780597234 /nfs/dbraw/zinc/59/72/34/780597234.db2.gz YALFXEWQWMJMMJ-GRYCIOLGSA-N 2 0 273.377 -1.272 20 0 CAADRP CN(C[C@H](O)C[NH2+]CCO)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001278756455 780597311 /nfs/dbraw/zinc/59/73/11/780597311.db2.gz PSVOSFPQDLUCGD-CHWSQXEVSA-N 2 0 285.388 -1.271 20 0 CAADRP CN(C[C@H](O)C[NH2+]CCO)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001278833667 780611141 /nfs/dbraw/zinc/61/11/41/780611141.db2.gz VNIQMNXFNLEQFC-GHMZBOCLSA-N 2 0 259.350 -1.661 20 0 CAADRP CN(C[C@@H](O)C[NH2+]CCO)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001278833668 780611240 /nfs/dbraw/zinc/61/12/40/780611240.db2.gz VNIQMNXFNLEQFC-MNOVXSKESA-N 2 0 259.350 -1.661 20 0 CAADRP CN(C[C@@H](O)C[NH2+]CCO)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001278833669 780611247 /nfs/dbraw/zinc/61/12/47/780611247.db2.gz VNIQMNXFNLEQFC-QWRGUYRKSA-N 2 0 259.350 -1.661 20 0 CAADRP COC(=O)[C@@H](C[NH3+])C[NH2+][C@H](C)CC(=O)N1CCOCC1 ZINC001256325193 780622777 /nfs/dbraw/zinc/62/27/77/780622777.db2.gz WTASKIVMXTZKTM-MNOVXSKESA-N 2 0 287.360 -1.039 20 0 CAADRP COC(=O)[C@@H](C[NH3+])C[NH2+][C@@H](C)CC(=O)N1CCOCC1 ZINC001256325194 780622878 /nfs/dbraw/zinc/62/28/78/780622878.db2.gz WTASKIVMXTZKTM-QWRGUYRKSA-N 2 0 287.360 -1.039 20 0 CAADRP CN(C)C[C@H](CO)[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC001261483058 780665109 /nfs/dbraw/zinc/66/51/09/780665109.db2.gz HDNIXTAYDUNXNC-CHWSQXEVSA-N 2 0 274.409 -1.893 20 0 CAADRP COC(=O)C[C@H]([NH3+])C(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC001261474750 780665155 /nfs/dbraw/zinc/66/51/55/780665155.db2.gz JAYUDYVEXNKWMR-IUCAKERBSA-N 2 0 259.306 -1.547 20 0 CAADRP C[C@@H](O)[C@@H](CO)[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC001261482272 780665232 /nfs/dbraw/zinc/66/52/32/780665232.db2.gz HCINZLGPVHWINE-GRYCIOLGSA-N 2 0 261.366 -2.074 20 0 CAADRP CN(C)C[C@@H](CO)[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC001261483060 780666696 /nfs/dbraw/zinc/66/66/96/780666696.db2.gz HDNIXTAYDUNXNC-QWHCGFSZSA-N 2 0 274.409 -1.893 20 0 CAADRP O=c1c2c(ncn1C[C@@H]1C[NH2+]CCO1)CC[NH2+]CC2 ZINC001261578661 780672882 /nfs/dbraw/zinc/67/28/82/780672882.db2.gz LGJFCLLLSXGLQU-JTQLQIEISA-N 2 0 264.329 -1.080 20 0 CAADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)[C@@H]2CCO[C@H]2C[NH3+])CCO1 ZINC001261643501 780676030 /nfs/dbraw/zinc/67/60/30/780676030.db2.gz VPTSDMVOFANWQZ-VLEAKVRGSA-N 2 0 257.334 -1.075 20 0 CAADRP [NH3+][C@@H]1CCO[C@@H]1C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC001262008733 780696596 /nfs/dbraw/zinc/69/65/96/780696596.db2.gz WNUVUIIBVSIKIT-TUAOUCFPSA-N 2 0 268.361 -1.391 20 0 CAADRP COC[C@@H]1C[NH2+]CCN1CC(=O)N1CC[NH2+]CC1 ZINC001262485709 780712184 /nfs/dbraw/zinc/71/21/84/780712184.db2.gz FPUKDCDECQSQPQ-NSHDSACASA-N 2 0 256.350 -1.662 20 0 CAADRP C[NH2+][C@H]1CCN(C(=O)[C@@H]2CC(=O)N(C3C[NH2+]C3)C2)C1 ZINC001263061512 780718681 /nfs/dbraw/zinc/71/86/81/780718681.db2.gz TWWPCSKPUCBVGO-ZJUUUORDSA-N 2 0 266.345 -1.373 20 0 CAADRP C[NH+](C)CCNC(=O)[C@H]1CCCN(CC[NH3+])C1=O ZINC001263107995 780720959 /nfs/dbraw/zinc/72/09/59/780720959.db2.gz LMUTVEUMCKTCIG-SNVBAGLBSA-N 2 0 256.350 -1.139 20 0 CAADRP O=C(NCC1=CC[NH2+]CC1)[C@@H]1CC(=O)N(C2C[NH2+]C2)C1 ZINC001263105969 780721010 /nfs/dbraw/zinc/72/10/10/780721010.db2.gz GOLMUSCTEBXQRC-LLVKDONJSA-N 2 0 278.356 -1.157 20 0 CAADRP C[C@H]1CN(C(=O)[C@@H]2CC(=O)N(C3C[NH2+]C3)C2)CC[NH2+]1 ZINC001263106249 780721131 /nfs/dbraw/zinc/72/11/31/780721131.db2.gz PVXBSJSMYCRDEW-VHSXEESVSA-N 2 0 266.345 -1.373 20 0 CAADRP CC[C@H]([NH3+])CNC(=O)[C@@H]1CC(=O)N(C2C[NH2+]C2)C1 ZINC001263110429 780721251 /nfs/dbraw/zinc/72/12/51/780721251.db2.gz VTRICNYHNIUGBM-BDAKNGLRSA-N 2 0 254.334 -1.340 20 0 CAADRP C[NH2+]CCCN(C)C(=O)[C@]12C[NH2+]C[C@H]1CS(=O)(=O)C2 ZINC001263129004 780721375 /nfs/dbraw/zinc/72/13/75/780721375.db2.gz YRQVXOGYIUCDOB-JQWIXIFHSA-N 2 0 289.401 -1.312 20 0 CAADRP CN(CCCN1CC[NH+](C)CC1)C(=O)[C@@H]1C[NH2+]CCN1C ZINC001263113403 780721737 /nfs/dbraw/zinc/72/17/37/780721737.db2.gz HZMADEBKWSIHDH-AWEZNQCLSA-N 2 0 297.447 -1.014 20 0 CAADRP C[NH+]1CCC(OCC(=O)N[C@@H]2C[NH2+]C[C@@H]2O)CC1 ZINC001263162424 780722460 /nfs/dbraw/zinc/72/24/60/780722460.db2.gz JFOZQNSXWMCBAA-MNOVXSKESA-N 2 0 257.334 -1.454 20 0 CAADRP COCC[NH2+]CC(=O)N1CCC[C@H]([NH2+]CCO)C1 ZINC001263168411 780722818 /nfs/dbraw/zinc/72/28/18/780722818.db2.gz MFNYKAIZBQOSEM-NSHDSACASA-N 2 0 259.350 -1.205 20 0 CAADRP CN(CCC[NH+](C)C)CCNC(=O)C[C@@H](O)C[NH3+] ZINC001263154877 780722913 /nfs/dbraw/zinc/72/29/13/780722913.db2.gz GUHQUAAONSXWKR-LLVKDONJSA-N 2 0 260.382 -1.304 20 0 CAADRP CN(CCC[NH+](C)C)CCNC(=O)[C@@H]1C[NH2+]CCN1C ZINC001263155552 780723021 /nfs/dbraw/zinc/72/30/21/780723021.db2.gz YMQXBPPCIXBFHS-ZDUSSCGKSA-N 2 0 285.436 -1.110 20 0 CAADRP CC(C)(C[NH+]1CCOCC1)C(=O)NC[C@H](O)C[NH3+] ZINC001263158767 780723047 /nfs/dbraw/zinc/72/30/47/780723047.db2.gz JWPKNGFLSUAHSM-SNVBAGLBSA-N 2 0 259.350 -1.219 20 0 CAADRP CN1CC[NH2+]C[C@@H]1C(=O)N1CCN(C)CC[N@H+](C)CC1 ZINC001263245791 780724613 /nfs/dbraw/zinc/72/46/13/780724613.db2.gz VFTJJKCOWXIDRA-CYBMUJFWSA-N 2 0 283.420 -1.404 20 0 CAADRP CN1CCN(C(=O)C[C@H](O)C[NH3+])CC[N@H+](C)CC1 ZINC001263245611 780725123 /nfs/dbraw/zinc/72/51/23/780725123.db2.gz OWLUAZFRRIXYJF-NSHDSACASA-N 2 0 258.366 -1.598 20 0 CAADRP COC[C@@H]1C[NH2+]CCN1C(=O)C[C@@H]1C[NH2+]CCO1 ZINC001263261125 780726730 /nfs/dbraw/zinc/72/67/30/780726730.db2.gz UYTGUEGXJUPKDY-WDEREUQCSA-N 2 0 257.334 -1.188 20 0 CAADRP [NH3+]CCn1cc(C(=O)N[C@H]2C[NH2+]CC23CC3)nn1 ZINC001263324431 780726787 /nfs/dbraw/zinc/72/67/87/780726787.db2.gz SVDZPTUUQZHALJ-VIFPVBQESA-N 2 0 250.306 -1.281 20 0 CAADRP C[NH2+]C[C@H](O)[C@@H](C)C(=O)N1CC[NH2+]C[C@@H]1COC ZINC001263262121 780726901 /nfs/dbraw/zinc/72/69/01/780726901.db2.gz YMLNPQIUZDGWFR-MXWKQRLJSA-N 2 0 259.350 -1.350 20 0 CAADRP [NH3+]CCn1cc(C(=O)N2CC[N@@H+]3CC[C@H]2C3)nn1 ZINC000382053815 780729401 /nfs/dbraw/zinc/72/94/01/780729401.db2.gz YWLWVGYVTCZWNK-VIFPVBQESA-N 2 0 250.306 -1.233 20 0 CAADRP C[C@H](CCNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]CC(N)=O ZINC001266190042 780771713 /nfs/dbraw/zinc/77/17/13/780771713.db2.gz XTYKKSAAKLQFGB-NXEZZACHSA-N 2 0 256.350 -1.092 20 0 CAADRP C[C@H](O)C[NH2+]CCN(CCO)C(=O)[C@H]1CCC[N@@H+]1C ZINC001279672020 780775269 /nfs/dbraw/zinc/77/52/69/780775269.db2.gz AFHUJMUVOKLCQN-NWDGAFQWSA-N 2 0 273.377 -1.128 20 0 CAADRP C[C@H](O)C[NH2+]CCN(CCO)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001279672021 780775591 /nfs/dbraw/zinc/77/55/91/780775591.db2.gz AFHUJMUVOKLCQN-RYUDHWBXSA-N 2 0 273.377 -1.128 20 0 CAADRP C[C@@H](O)C[NH2+]CCN(CCO)C(=O)[C@H]1CCC[N@@H+]1C ZINC001279672023 780775766 /nfs/dbraw/zinc/77/57/66/780775766.db2.gz AFHUJMUVOKLCQN-VXGBXAGGSA-N 2 0 273.377 -1.128 20 0 CAADRP CC[NH+](CC)CC(=O)NCC[NH2+]CCN1C(=O)CNC1=O ZINC001135513276 781373214 /nfs/dbraw/zinc/37/32/14/781373214.db2.gz KMGNZUZBIDTCJA-UHFFFAOYSA-N 2 0 299.375 -1.414 20 0 CAADRP CC[NH+](CC)CC(=O)NCC[NH2+]CCNS(C)(=O)=O ZINC001135513772 781374307 /nfs/dbraw/zinc/37/43/07/781374307.db2.gz YGYWNEDBXLINBC-UHFFFAOYSA-N 2 0 294.421 -1.417 20 0 CAADRP CC[NH+](CC)CC(=O)NCC[NH2+][C@@H](C)C(=O)NC(N)=O ZINC001135512846 781374335 /nfs/dbraw/zinc/37/43/35/781374335.db2.gz AFGNWOZFYCMSTI-VIFPVBQESA-N 2 0 287.364 -1.383 20 0 CAADRP C[C@H](C[C@H](C)[NH2+]CC(N)=O)NC(=O)COCC[NH+](C)C ZINC001135922800 781389013 /nfs/dbraw/zinc/38/90/13/781389013.db2.gz BKRHNGQIBZUVEG-WDEREUQCSA-N 2 0 288.392 -1.077 20 0 CAADRP C[NH+]1CCC(OCC(=O)NCC[NH2+]CC(N)=O)CC1 ZINC001135959058 781389027 /nfs/dbraw/zinc/38/90/27/781389027.db2.gz JWFADHVAKLGITB-UHFFFAOYSA-N 2 0 272.349 -1.712 20 0 CAADRP [NH3+][C@@H]1CN(Cc2cnc3n2CC[NH2+]CC3)CC[C@H]1O ZINC001206088205 781389157 /nfs/dbraw/zinc/38/91/57/781389157.db2.gz WRUBBFYBBGDXAT-VXGBXAGGSA-N 2 0 265.361 -1.077 20 0 CAADRP C[C@H]([NH2+]CCNC(=O)COC1CC[NH+](C)CC1)C(N)=O ZINC001135959071 781389674 /nfs/dbraw/zinc/38/96/74/781389674.db2.gz KBRXRSQZMVNULJ-JTQLQIEISA-N 2 0 286.376 -1.323 20 0 CAADRP OC[C@@H]1C[NH2+]C[C@H]1Nc1ccc(N2CC[NH2+]CC2)nn1 ZINC001159673646 781393403 /nfs/dbraw/zinc/39/34/03/781393403.db2.gz YTJFRXCTAOQTKH-WDEREUQCSA-N 2 0 278.360 -1.122 20 0 CAADRP COc1nc(N[C@@H]([NH3+])CCC[NH3+])nc(N2CCOCC2)n1 ZINC001170897598 781395541 /nfs/dbraw/zinc/39/55/41/781395541.db2.gz ONCIMULKLVBGIF-SECBINFHSA-N 2 0 297.363 -1.426 20 0 CAADRP NC(=O)[C@@H]([NH3+])CCCC[NH2+]C[C@H](O)CN1CCOCC1 ZINC001246006112 781397883 /nfs/dbraw/zinc/39/78/83/781397883.db2.gz HDNOQYZQELZOTJ-RYUDHWBXSA-N 2 0 288.392 -1.748 20 0 CAADRP [NH3+]CCCNC(=O)CN(CCC[NH3+])C[C@@]1(O)CC[NH2+]C1 ZINC001246050423 781400598 /nfs/dbraw/zinc/40/05/98/781400598.db2.gz DYOFZMSHAJIGTI-CYBMUJFWSA-N 3 0 287.408 -2.173 20 0 CAADRP COC(=O)[C@@H]1CC[C@H]([NH2+]C[C@]2(O)CC[NH2+]C[C@@H]2F)CN1 ZINC001246090755 781404792 /nfs/dbraw/zinc/40/47/92/781404792.db2.gz YXVSEOUVHVXDFT-MRBYEJRBSA-N 2 0 289.351 -1.068 20 0 CAADRP OCC1([NH2+][C@H]2CCNC3(C[NH2+]C3)C2)CC[NH2+]CC1 ZINC001246109329 781405356 /nfs/dbraw/zinc/40/53/56/781405356.db2.gz AVEHMHJXXFYJER-NSHDSACASA-N 3 0 254.378 -1.216 20 0 CAADRP C[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CCO)C[C@@H]2O)CC1 ZINC001090537694 781407803 /nfs/dbraw/zinc/40/78/03/781407803.db2.gz NATZNXMAUIGHND-STQMWFEESA-N 2 0 285.388 -1.128 20 0 CAADRP C(CN1CC[NH2+]CC1)[NH2+][C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246120993 781408951 /nfs/dbraw/zinc/40/89/51/781408951.db2.gz UNYHNTOGNNQZHZ-GFCCVEGCSA-N 3 0 253.394 -1.425 20 0 CAADRP C([NH2+][C@H]1CCNC2(C[NH2+]C2)C1)[C@H]1CO[C@@H]2C[NH2+]C[C@H]12 ZINC001246148869 781409118 /nfs/dbraw/zinc/40/91/18/781409118.db2.gz HQTPBSMTFJPTQZ-WUHRBBMRSA-N 3 0 266.389 -1.096 20 0 CAADRP C(CN1CC[NH2+]CC1)[NH2+][C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246120994 781409174 /nfs/dbraw/zinc/40/91/74/781409174.db2.gz UNYHNTOGNNQZHZ-LBPRGKRZSA-N 3 0 253.394 -1.425 20 0 CAADRP C[N@H+](CC(=O)NCCC[NH2+]CC(=O)NC(N)=O)C1CCC1 ZINC001159997330 781411724 /nfs/dbraw/zinc/41/17/24/781411724.db2.gz MFEFAEMZXKSJGW-UHFFFAOYSA-N 2 0 299.375 -1.239 20 0 CAADRP OCCN(CCO)CCC[NH2+][C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246159728 781411767 /nfs/dbraw/zinc/41/17/67/781411767.db2.gz BVXWZFWTEXGGOL-ZDUSSCGKSA-N 2 0 286.420 -1.653 20 0 CAADRP O=C(Cc1c[nH]cn1)N[C@H]1CC[N@@H+](CCO)C[C@H]1O ZINC001090601478 781412120 /nfs/dbraw/zinc/41/21/20/781412120.db2.gz RSVVIZDCKGVBNA-WDEREUQCSA-N 2 0 268.317 -1.504 20 0 CAADRP COC(=O)C1(N[C@H]2CCNC3(C[NH2+]C3)C2)CC[NH2+]CC1 ZINC001246189854 781412296 /nfs/dbraw/zinc/41/22/96/781412296.db2.gz MQLQWJIBLSQURH-NSHDSACASA-N 2 0 282.388 -1.035 20 0 CAADRP COC(=O)[C@@H](C[NH3+])C[NH2+][C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246236631 781420881 /nfs/dbraw/zinc/42/08/81/781420881.db2.gz PYXHDGQHHOFNQD-UWVGGRQHSA-N 3 0 256.350 -1.582 20 0 CAADRP O=C(N[C@@H]1CC[N@@H+](CCO)C[C@H]1O)C12CC[NH+](CC1)C2 ZINC001090730180 781426587 /nfs/dbraw/zinc/42/65/87/781426587.db2.gz HSHWWLXGYQPWMN-VXGBXAGGSA-N 2 0 283.372 -1.374 20 0 CAADRP O=C(N[C@@H]1CC[N@@H+](CCO)C[C@@H]1O)C12CC[NH+](CC1)C2 ZINC001090730177 781426727 /nfs/dbraw/zinc/42/67/27/781426727.db2.gz HSHWWLXGYQPWMN-NEPJUHHUSA-N 2 0 283.372 -1.374 20 0 CAADRP [NH3+]CCOCCOCC[NH2+][C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246284437 781427430 /nfs/dbraw/zinc/42/74/30/781427430.db2.gz NFPNMAGRWITTAY-LBPRGKRZSA-N 3 0 272.393 -1.338 20 0 CAADRP O=C(C[NH+]1CCCC1)N[C@@H]1CC[N@@H+](CCO)C[C@@H]1O ZINC001090816533 781435973 /nfs/dbraw/zinc/43/59/73/781435973.db2.gz PGABEIHHWWEMAQ-NEPJUHHUSA-N 2 0 271.361 -1.374 20 0 CAADRP COC(=O)[C@H]1C[C@H]([NH2+]CCCNCCC[NH3+])CN1 ZINC001246451478 781438118 /nfs/dbraw/zinc/43/81/18/781438118.db2.gz HGXQREQOCHCXPT-WDEREUQCSA-N 2 0 258.366 -1.192 20 0 CAADRP CN1CCO[C@@H](C(=O)NCC2CC([NH2+]CCO)C2)C1 ZINC001090970859 781442618 /nfs/dbraw/zinc/44/26/18/781442618.db2.gz NJLSKCHVPPGFGT-HTAVTVPLSA-N 2 0 271.361 -1.206 20 0 CAADRP CN1CCO[C@@H](C(=O)NCC2CC([NH2+]CC(N)=O)C2)C1 ZINC001090970938 781443310 /nfs/dbraw/zinc/44/33/10/781443310.db2.gz NRWFVYHIKKSXPA-VQXHTEKXSA-N 2 0 284.360 -1.713 20 0 CAADRP CN(CC(=O)N1CCOC[C@H]1C[NH+](C)C)C(N)=[NH2+] ZINC001144135034 781444298 /nfs/dbraw/zinc/44/42/98/781444298.db2.gz CRJXQWCVQLQQBF-SECBINFHSA-N 2 0 257.338 -1.399 20 0 CAADRP CCOC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CN(C)C(N)=[NH2+] ZINC001144149002 781446128 /nfs/dbraw/zinc/44/61/28/781446128.db2.gz AOGWAPZSUZDXSF-VIFPVBQESA-N 2 0 296.331 -1.175 20 0 CAADRP C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N1CCC([NH3+])CC1 ZINC001160515235 781446995 /nfs/dbraw/zinc/44/69/95/781446995.db2.gz AXSJMEYLVOGTOW-CBAPKCEASA-N 2 0 258.322 -2.240 20 0 CAADRP C[N@@H+]1CC[C@@H](CC(=O)NCCC[NH2+]CC(N)=O)C1 ZINC001171218692 781463826 /nfs/dbraw/zinc/46/38/26/781463826.db2.gz RLZMIILHLBOPNI-JTQLQIEISA-N 2 0 256.350 -1.091 20 0 CAADRP [NH3+]CCC[C@@H]([NH3+])C(=O)N1CCc2[nH]c(=O)[nH]c(=O)c2C1 ZINC001160641023 781458248 /nfs/dbraw/zinc/45/82/48/781458248.db2.gz USNDNHSITPJDMS-MRVPVSSYSA-N 2 0 281.316 -1.161 20 0 CAADRP C[NH+](C)CCOCC(=O)NCCC[NH2+]CCOCCO ZINC001171205716 781462109 /nfs/dbraw/zinc/46/21/09/781462109.db2.gz WSEIGSANAHSEAU-UHFFFAOYSA-N 2 0 291.392 -1.331 20 0 CAADRP CCOC(=O)[C@@H]1C[C@H]([N@@H+]2C[C@H](O)[C@@H](C[NH3+])C2)CCN1 ZINC001246581600 781462357 /nfs/dbraw/zinc/46/23/57/781462357.db2.gz SDTOAUJPVXSQDG-USZNOCQGSA-N 2 0 271.361 -1.079 20 0 CAADRP Cn1cnnc1C[NH2+]CCCNC(=O)COCC[NH+](C)C ZINC001171206074 781462446 /nfs/dbraw/zinc/46/24/46/781462446.db2.gz ZKVKNKBGDMJJKT-UHFFFAOYSA-N 2 0 298.391 -1.011 20 0 CAADRP CNC(=O)[C@H](C)[NH2+]CCCNC(=O)COCC[NH+](C)C ZINC001171205050 781462759 /nfs/dbraw/zinc/46/27/59/781462759.db2.gz KNWWZHKYXFCUQU-NSHDSACASA-N 2 0 288.392 -1.205 20 0 CAADRP C[NH+](C)CCOCC(=O)NCCC[NH2+][C@H]1CCNC1=O ZINC001171204517 781462833 /nfs/dbraw/zinc/46/28/33/781462833.db2.gz BLXQPYLPHWEEMO-NSHDSACASA-N 2 0 286.376 -1.451 20 0 CAADRP CC[C@H]([NH2+]CCCNC(=O)COCC[NH+](C)C)C(N)=O ZINC001171216330 781463530 /nfs/dbraw/zinc/46/35/30/781463530.db2.gz GHNAOZPIHNBUHW-NSHDSACASA-N 2 0 288.392 -1.076 20 0 CAADRP CC[C@@H]([NH2+]CCCNC(=O)COCC[NH+](C)C)C(N)=O ZINC001171216329 781463959 /nfs/dbraw/zinc/46/39/59/781463959.db2.gz GHNAOZPIHNBUHW-LLVKDONJSA-N 2 0 288.392 -1.076 20 0 CAADRP COC(=O)[C@@H]1C[C@H]([N@@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)CCN1 ZINC001246586050 781464120 /nfs/dbraw/zinc/46/41/20/781464120.db2.gz PVOKGGUOZPSTIM-ZRUFSTJUSA-N 2 0 257.334 -1.469 20 0 CAADRP COC(=O)[C@@H]1C[C@H]([N@@H+]2CCNC3(CC[NH2+]CC3)C2)CN1 ZINC001246599709 781465438 /nfs/dbraw/zinc/46/54/38/781465438.db2.gz DGWUGDNUQYFXLM-RYUDHWBXSA-N 2 0 282.388 -1.083 20 0 CAADRP C[N@@H+]1CC[C@@H](C(=O)NCC2CC([NH2+]CC(N)=O)C2)C1 ZINC001091364707 781475126 /nfs/dbraw/zinc/47/51/26/781475126.db2.gz LTGIOMOHOHSETF-HSOILSAZSA-N 2 0 268.361 -1.092 20 0 CAADRP C1[NH2+]CC12C[C@H]([N@@H+]1CCN[C@]3(CC[NH2+]C3)C1)CCN2 ZINC001246645142 781478451 /nfs/dbraw/zinc/47/84/51/781478451.db2.gz UANIJWTZZNOTCE-OLZOCXBDSA-N 3 0 265.405 -1.282 20 0 CAADRP NC(=O)[C@H]1C[N@@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)CCO1 ZINC001246839250 781483440 /nfs/dbraw/zinc/48/34/40/781483440.db2.gz CKHZQUZMLMDEIZ-NXEZZACHSA-N 2 0 254.334 -1.734 20 0 CAADRP NC(=O)[C@H]1C[N@@H+]([C@H]2CCNC3(C[NH2+]C3)C2)CCO1 ZINC001246839261 781483888 /nfs/dbraw/zinc/48/38/88/781483888.db2.gz CKHZQUZMLMDEIZ-VHSXEESVSA-N 2 0 254.334 -1.734 20 0 CAADRP CC[N@H+](C)CCC(=O)NCC[NH2+][C@@H](C)C(=O)NC(N)=O ZINC001146711444 781490134 /nfs/dbraw/zinc/49/01/34/781490134.db2.gz SBFIQFUAGBIGIM-VIFPVBQESA-N 2 0 287.364 -1.383 20 0 CAADRP CC[N@H+](C)CCC(=O)NCC[NH2+]CCNS(C)(=O)=O ZINC001146711162 781490251 /nfs/dbraw/zinc/49/02/51/781490251.db2.gz PWOOADVWVAYARM-UHFFFAOYSA-N 2 0 294.421 -1.417 20 0 CAADRP CC[N@H+](C)CCC(=O)NCC[NH2+][C@H]1CCC(=O)NC1=O ZINC001146728257 781490956 /nfs/dbraw/zinc/49/09/56/781490956.db2.gz XDRBGZRZMVOEOH-JTQLQIEISA-N 2 0 284.360 -1.161 20 0 CAADRP O=C([C@H]1C[NH2+]CC12C[NH2+]C2)N1CC(O)([C@H]2CCCC[NH2+]2)C1 ZINC001160999277 781492762 /nfs/dbraw/zinc/49/27/62/781492762.db2.gz ALGSQSAZKRGWTC-VXGBXAGGSA-N 3 0 294.399 -1.489 20 0 CAADRP [NH3+][C@@H]1CN[C@H](C(=O)N2CC(O)([C@@H]3CCCC[NH2+]3)C2)C1 ZINC001161009447 781494095 /nfs/dbraw/zinc/49/40/95/781494095.db2.gz VWKYPAWZHBICAU-DCAQKATOSA-N 2 0 268.361 -1.609 20 0 CAADRP [NH3+][C@H]1CN[C@H](C(=O)N2CC(O)([C@@H]3CCCC[NH2+]3)C2)C1 ZINC001161009462 781494388 /nfs/dbraw/zinc/49/43/88/781494388.db2.gz VWKYPAWZHBICAU-VWYCJHECSA-N 2 0 268.361 -1.609 20 0 CAADRP C[C@@H]1CN(C(=O)CN(CC[NH3+])S(C)(=O)=O)CC[NH2+]1 ZINC001161016223 781495867 /nfs/dbraw/zinc/49/58/67/781495867.db2.gz UJNJPHJUKMZCSW-SECBINFHSA-N 2 0 278.378 -1.973 20 0 CAADRP CCOC(=O)C1(C(=O)N2CC[NH2+][C@H](C)C2)C[NH2+]C1 ZINC001161015650 781497331 /nfs/dbraw/zinc/49/73/31/781497331.db2.gz IFVLLCBHBDFKRL-SECBINFHSA-N 2 0 255.318 -1.041 20 0 CAADRP CNC(=O)C[NH2+]CCCNC(=O)C12CC[NH+](CC1)C2 ZINC001171294185 781499955 /nfs/dbraw/zinc/49/99/55/781499955.db2.gz RGHUEKMFJGNPTJ-UHFFFAOYSA-N 2 0 268.361 -1.076 20 0 CAADRP Cc1nc[nH]c1CC(=O)NCC[NH2+][C@H](C)C(N)=O ZINC001149124942 781514401 /nfs/dbraw/zinc/51/44/01/781514401.db2.gz YCKVQEYPSQYTKF-MRVPVSSYSA-N 2 0 253.306 -1.160 20 0 CAADRP C[NH+](C)CCOCC(=O)NCC[NH2+]CC(=O)NC(N)=O ZINC001147848388 781522469 /nfs/dbraw/zinc/52/24/69/781522469.db2.gz MYASMRRMIOUGHR-UHFFFAOYSA-N 2 0 289.336 -2.535 20 0 CAADRP C[N@@H+]1CC[C@@H](CC(=O)NCC[NH2+][C@H]2CCNC2=O)C1 ZINC001147886035 781523017 /nfs/dbraw/zinc/52/30/17/781523017.db2.gz RTNQEKDJUDHWMC-QWRGUYRKSA-N 2 0 268.361 -1.078 20 0 CAADRP C[NH+](C)CCOCC(=O)NCC[NH2+]CC(=O)N1CCC1 ZINC001147842325 781523093 /nfs/dbraw/zinc/52/30/93/781523093.db2.gz RTPXCZBHGSYEBL-UHFFFAOYSA-N 2 0 286.376 -1.497 20 0 CAADRP C[N@@H+]1CC[C@H](CC(=O)NCC[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001147885602 781523158 /nfs/dbraw/zinc/52/31/58/781523158.db2.gz NNLMFVXTEBKQGS-GHMZBOCLSA-N 2 0 296.371 -1.161 20 0 CAADRP CC(C)NC(=O)C[NH2+]CCNC(=O)COCC[NH+](C)C ZINC001147841244 781523399 /nfs/dbraw/zinc/52/33/99/781523399.db2.gz AXJIYIOJEJGGGC-UHFFFAOYSA-N 2 0 288.392 -1.205 20 0 CAADRP CO[C@H]1C[NH2+]C[C@@H]1N(C)[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246991173 781523804 /nfs/dbraw/zinc/52/38/04/781523804.db2.gz ZBBMTMTVGKSVMV-WOPDTQHZSA-N 2 0 254.378 -1.001 20 0 CAADRP C[NH+](C)CCOCC(=O)NCC[NH2+]CCOCCO ZINC001147848385 781523813 /nfs/dbraw/zinc/52/38/13/781523813.db2.gz MUDZQFDVFFLOOX-UHFFFAOYSA-N 2 0 277.365 -1.721 20 0 CAADRP CNC(=O)NC(=O)C[NH2+]CCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001147886553 781523916 /nfs/dbraw/zinc/52/39/16/781523916.db2.gz XNGCYJVQCMUWDJ-JTQLQIEISA-N 2 0 299.375 -1.510 20 0 CAADRP COC[C@@H](O)C[NH2+]CCNC(=O)COCC[NH+](C)C ZINC001147848326 781523955 /nfs/dbraw/zinc/52/39/55/781523955.db2.gz KUGJJHRRRVSPCZ-NSHDSACASA-N 2 0 277.365 -1.722 20 0 CAADRP CN1CC[C@@H]([NH2+]CCNC(=O)COCC[NH+](C)C)C1=O ZINC001147892448 781524773 /nfs/dbraw/zinc/52/47/73/781524773.db2.gz IFWVUOFNFRLRGJ-LLVKDONJSA-N 2 0 286.376 -1.499 20 0 CAADRP CN1CC[C@H]([NH2+]CCNC(=O)COCC[NH+](C)C)C1=O ZINC001147892453 781525151 /nfs/dbraw/zinc/52/51/51/781525151.db2.gz IFWVUOFNFRLRGJ-NSHDSACASA-N 2 0 286.376 -1.499 20 0 CAADRP CNC(=O)C[NH2+]CCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001147878110 781525184 /nfs/dbraw/zinc/52/51/84/781525184.db2.gz SAYZVOCGJSIQEZ-JTQLQIEISA-N 2 0 256.350 -1.220 20 0 CAADRP CNC(=O)C[NH2+]CCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001147878111 781525299 /nfs/dbraw/zinc/52/52/99/781525299.db2.gz SAYZVOCGJSIQEZ-SNVBAGLBSA-N 2 0 256.350 -1.220 20 0 CAADRP CNC(=O)[C@H](C)[NH2+]CCNC(=O)C12CC[NH+](CC1)C2 ZINC001147977656 781526497 /nfs/dbraw/zinc/52/64/97/781526497.db2.gz UIXCABUZGJYRHH-JTQLQIEISA-N 2 0 268.361 -1.078 20 0 CAADRP CCNC(=O)C[NH2+]CCNC(=O)C12CC[NH+](CC1)C2 ZINC001147977344 781526564 /nfs/dbraw/zinc/52/65/64/781526564.db2.gz PAACNCVRFQTAFR-UHFFFAOYSA-N 2 0 268.361 -1.076 20 0 CAADRP CN(C)C(=O)C[NH2+]CCNC(=O)C12CC[NH+](CC1)C2 ZINC001147976894 781526599 /nfs/dbraw/zinc/52/65/99/781526599.db2.gz DGFNSWBCXPJGTO-UHFFFAOYSA-N 2 0 268.361 -1.124 20 0 CAADRP O=C(NCC[NH2+][C@@H]1CCC(=O)NC1=O)C12CC[NH+](CC1)C2 ZINC001147977700 781526925 /nfs/dbraw/zinc/52/69/25/781526925.db2.gz WJWZMLUJGMMEQO-SNVBAGLBSA-N 2 0 294.355 -1.407 20 0 CAADRP C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N1C[C@@H]2CCC[N@H+](C)[C@@H]2C1 ZINC001161085294 781526939 /nfs/dbraw/zinc/52/69/39/781526939.db2.gz SIKRGBZYYPKBDR-FIQHERPVSA-N 2 0 298.387 -1.637 20 0 CAADRP COC[C@@H](O)C[NH2+]CCNC(=O)C12CC[NH+](CC1)C2 ZINC001147977367 781526964 /nfs/dbraw/zinc/52/69/64/781526964.db2.gz PVVJFJLDAHXHLF-NSHDSACASA-N 2 0 271.361 -1.205 20 0 CAADRP O=C(NCC[NH2+]CCN1CCNC1=O)C12CC[NH+](CC1)C2 ZINC001147977332 781527127 /nfs/dbraw/zinc/52/71/27/781527127.db2.gz OMBHZEVMALBZLL-UHFFFAOYSA-N 2 0 295.387 -1.187 20 0 CAADRP COC[C@H](O)C[NH2+]CCNC(=O)C12CC[NH+](CC1)C2 ZINC001147977366 781527132 /nfs/dbraw/zinc/52/71/32/781527132.db2.gz PVVJFJLDAHXHLF-LLVKDONJSA-N 2 0 271.361 -1.205 20 0 CAADRP C[C@H]([NH2+]CCNC(=O)C12CC[NH+](CC1)C2)C(N)=O ZINC001147977147 781527270 /nfs/dbraw/zinc/52/72/70/781527270.db2.gz LBHOFPJYDMUIEM-VIFPVBQESA-N 2 0 254.334 -1.338 20 0 CAADRP NC(=O)NC(=O)C[NH2+]CCNC(=O)C12CC[NH+](CC1)C2 ZINC001147976837 781527330 /nfs/dbraw/zinc/52/73/30/781527330.db2.gz BMHOAVOXAQHEMQ-UHFFFAOYSA-N 2 0 283.332 -2.017 20 0 CAADRP CCC[N@H+](C)CCC(=O)NCC[NH2+]CC(=O)NC(N)=O ZINC001148570668 781536864 /nfs/dbraw/zinc/53/68/64/781536864.db2.gz KASYMPUMMJVBAV-UHFFFAOYSA-N 2 0 287.364 -1.381 20 0 CAADRP CCC[N@H+](C)CC(=O)NCC[NH2+]CCN1C(=O)CNC1=O ZINC001148642038 781536882 /nfs/dbraw/zinc/53/68/82/781536882.db2.gz CJFZVFBWTONLDA-UHFFFAOYSA-N 2 0 299.375 -1.414 20 0 CAADRP C[C@@]1(C(N)=O)CC[N@H+](CC(=O)N2CC[NH2+]CC2)C1 ZINC000235431704 781536949 /nfs/dbraw/zinc/53/69/49/781536949.db2.gz YDVGDOVQUPYYIH-GFCCVEGCSA-N 2 0 254.334 -1.385 20 0 CAADRP CCC[N@H+](C)CC(=O)NCC[NH2+][C@@H]1CCNC1=O ZINC001148638412 781538121 /nfs/dbraw/zinc/53/81/21/781538121.db2.gz HCOHIRDNNMIFOL-SNVBAGLBSA-N 2 0 256.350 -1.078 20 0 CAADRP CCC[N@H+](C)CC(=O)NCC[NH2+]CC(=O)NC(=O)NC ZINC001148638463 781538502 /nfs/dbraw/zinc/53/85/02/781538502.db2.gz IAOMQBLYKRYTRJ-UHFFFAOYSA-N 2 0 287.364 -1.510 20 0 CAADRP C[N@@H+]1CC[C@@H](C(=O)NCCC[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001176057707 781597074 /nfs/dbraw/zinc/59/70/74/781597074.db2.gz RMQZFFBESLLTMO-MNOVXSKESA-N 2 0 296.371 -1.161 20 0 CAADRP CNC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001176072467 781597506 /nfs/dbraw/zinc/59/75/06/781597506.db2.gz VJMOVKJSLHIGPT-JTQLQIEISA-N 2 0 299.375 -1.510 20 0 CAADRP C[C@H]([NH2+]CCCNC(=O)[C@@H]1CC[N@H+](C)C1)C(=O)NC(N)=O ZINC001176096725 781597598 /nfs/dbraw/zinc/59/75/98/781597598.db2.gz YKRPDNIJSQDLJX-VHSXEESVSA-N 2 0 299.375 -1.383 20 0 CAADRP CNC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001176072468 781597609 /nfs/dbraw/zinc/59/76/09/781597609.db2.gz VJMOVKJSLHIGPT-SNVBAGLBSA-N 2 0 299.375 -1.510 20 0 CAADRP CNC(=O)C[NH2+]CCCNC(=O)C[NH+]1CCCC1 ZINC001176095514 781597671 /nfs/dbraw/zinc/59/76/71/781597671.db2.gz DGIKMMQAPKRASG-UHFFFAOYSA-N 2 0 256.350 -1.076 20 0 CAADRP O=C(C[NH+]1CCCC1)NCCC[NH2+][C@@H]1CCC(=O)NC1=O ZINC001176103252 781597723 /nfs/dbraw/zinc/59/77/23/781597723.db2.gz UWDYUBMKIMCDLN-LLVKDONJSA-N 2 0 296.371 -1.017 20 0 CAADRP C[N@@H+]1CC[C@H](C(=O)NCCC[NH2+]CC(=O)NC(N)=O)C1 ZINC001176056258 781597804 /nfs/dbraw/zinc/59/78/04/781597804.db2.gz DWSXMKVKMKLYEX-VIFPVBQESA-N 2 0 285.348 -1.771 20 0 CAADRP C[C@@H]([NH2+]CCCNC(=O)[C@H]1CC[N@H+](C)C1)C(=O)NC(N)=O ZINC001176096726 781597962 /nfs/dbraw/zinc/59/79/62/781597962.db2.gz YKRPDNIJSQDLJX-ZJUUUORDSA-N 2 0 299.375 -1.383 20 0 CAADRP C[C@@H]([NH2+]CCCNC(=O)C[NH+]1CCCC1)C(=O)NC(N)=O ZINC001176118196 781598124 /nfs/dbraw/zinc/59/81/24/781598124.db2.gz LJELHZDMIWGXGY-SNVBAGLBSA-N 2 0 299.375 -1.239 20 0 CAADRP CC(C)[N@H+](C)CC(=O)NCCC[NH2+]CC(=O)NC(N)=O ZINC001176972030 781612788 /nfs/dbraw/zinc/61/27/88/781612788.db2.gz LERMYYZZQMYNMZ-UHFFFAOYSA-N 2 0 287.364 -1.383 20 0 CAADRP CN1C[C@@H](C(=O)N(CCCC[NH3+])C(N)=[NH2+])CC1=O ZINC001178526295 781635854 /nfs/dbraw/zinc/63/58/54/781635854.db2.gz PIGFYVCSPNQAAC-QMMMGPOBSA-N 2 0 255.322 -1.074 20 0 CAADRP CN1C[C@H](C(=O)N(CCCC[NH3+])C(N)=[NH2+])CC1=O ZINC001178526294 781636671 /nfs/dbraw/zinc/63/66/71/781636671.db2.gz PIGFYVCSPNQAAC-MRVPVSSYSA-N 2 0 255.322 -1.074 20 0 CAADRP CN1CCN(CC(=O)N(CCCC[NH3+])C(N)=[NH2+])CC1 ZINC001178954038 781643512 /nfs/dbraw/zinc/64/35/12/781643512.db2.gz UYRKXUNDAPMNLJ-UHFFFAOYSA-N 2 0 270.381 -1.305 20 0 CAADRP CC(=O)N1CCN(CC(=O)N(CCCC[NH3+])C(N)=[NH2+])CC1 ZINC001179035681 781644484 /nfs/dbraw/zinc/64/44/84/781644484.db2.gz NSEPHTKCCJBLRX-UHFFFAOYSA-N 2 0 298.391 -1.389 20 0 CAADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)[C@@H]1C[NH2+]CCO1 ZINC000068807821 781645884 /nfs/dbraw/zinc/64/58/84/781645884.db2.gz AZSAAYLHCSZFET-MNOVXSKESA-N 2 0 256.350 -1.663 20 0 CAADRP C[C@H]1[C@@H]([NH2+]CC(N)=O)CCN1C(=O)COCC[NH+](C)C ZINC001179934159 781652652 /nfs/dbraw/zinc/65/26/52/781652652.db2.gz UCDXLXRZQOTBQD-QWRGUYRKSA-N 2 0 286.376 -1.371 20 0 CAADRP NC(=[NH2+])N(CCCC[NH3+])C(=O)C1=NNC(=O)CC1 ZINC001180258521 781658832 /nfs/dbraw/zinc/65/88/32/781658832.db2.gz FTFKAFFVQKIERW-UHFFFAOYSA-N 2 0 254.294 -1.287 20 0 CAADRP NC(=[NH2+])N(CCCC[NH3+])C(=O)CN1C(=O)CNC1=O ZINC001180385104 781662981 /nfs/dbraw/zinc/66/29/81/781662981.db2.gz SCPGGARKMSHSHM-UHFFFAOYSA-N 2 0 270.293 -2.001 20 0 CAADRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)CN1C(=O)CNC1=O ZINC001180388596 781664371 /nfs/dbraw/zinc/66/43/71/781664371.db2.gz UOSNUHVLFARNRU-UHFFFAOYSA-N 2 0 298.347 -1.398 20 0 CAADRP NC(=[NH2+])N(CCCC[NH3+])C(=O)[C@@H]1CSCC(=O)N1 ZINC001180556244 781668623 /nfs/dbraw/zinc/66/86/23/781668623.db2.gz PDQSVTFRRZRGNS-ZETCQYMHSA-N 2 0 273.362 -1.321 20 0 CAADRP COCCN1C[C@@H](C(=O)N(CCCC[NH3+])C(N)=[NH2+])CC1=O ZINC001180892674 781679704 /nfs/dbraw/zinc/67/97/04/781679704.db2.gz WPQDACHFSMZUHJ-JTQLQIEISA-N 2 0 299.375 -1.058 20 0 CAADRP N[C@@H]1NCN(C(=O)C23CC[NH+](CC2)CC3)[C@H]2NCN[C@@H]21 ZINC001181555960 781694661 /nfs/dbraw/zinc/69/46/61/781694661.db2.gz UVMKEVAIQHRAPM-GMTAPVOTSA-N 2 0 280.376 -2.009 20 0 CAADRP C[N@@H+]1CC[C@H](C(=O)NCC[NH2+][C@@H]2CCNC2=O)C1 ZINC001151049409 781696379 /nfs/dbraw/zinc/69/63/79/781696379.db2.gz NPUFOJOKLXVOTB-VHSXEESVSA-N 2 0 254.334 -1.468 20 0 CAADRP CS(=O)(=O)N1CCC(C[N@@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)CC1 ZINC001206457818 781697316 /nfs/dbraw/zinc/69/73/16/781697316.db2.gz UVPWXOAJELCADQ-NWDGAFQWSA-N 2 0 291.417 -1.091 20 0 CAADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001181651375 781697563 /nfs/dbraw/zinc/69/75/63/781697563.db2.gz BPOCMKSBEHDOME-NXEZZACHSA-N 2 0 297.359 -1.534 20 0 CAADRP C[N@@H+]1CC[C@H](C(=O)NCC[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001151056352 781699697 /nfs/dbraw/zinc/69/96/97/781699697.db2.gz LNPMVYNHOQGPNV-UWVGGRQHSA-N 2 0 282.344 -1.551 20 0 CAADRP CNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001151065935 781701338 /nfs/dbraw/zinc/70/13/38/781701338.db2.gz OKLIUMFEYNTBGC-UWVGGRQHSA-N 2 0 256.350 -1.222 20 0 CAADRP CNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001151065934 781702137 /nfs/dbraw/zinc/70/21/37/781702137.db2.gz OKLIUMFEYNTBGC-NXEZZACHSA-N 2 0 256.350 -1.222 20 0 CAADRP CNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001151065872 781702309 /nfs/dbraw/zinc/70/23/09/781702309.db2.gz NYMWDADOXWLDBM-VHSXEESVSA-N 2 0 299.375 -1.512 20 0 CAADRP C[NH+]1CCC(O)(C(=O)n2cc(C[NH3+])cnc2=N)CC1 ZINC001182036006 781704789 /nfs/dbraw/zinc/70/47/89/781704789.db2.gz IOKQZWIPCUYFAT-UHFFFAOYSA-N 2 0 265.317 -1.082 20 0 CAADRP C[NH+]1CCC(O)(C(=O)n2cnc(C[NH3+])cc2=N)CC1 ZINC001182033117 781704951 /nfs/dbraw/zinc/70/49/51/781704951.db2.gz KJVJRPSWEYOAHN-UHFFFAOYSA-N 2 0 265.317 -1.082 20 0 CAADRP C[NH+]1CCC(O)(C(=O)N(CCCC[NH3+])C(N)=[NH2+])CC1 ZINC001182033824 781705588 /nfs/dbraw/zinc/70/55/88/781705588.db2.gz QIIZSMLFBSJESA-UHFFFAOYSA-N 3 0 271.365 -1.096 20 0 CAADRP CC(C)[N@@H+]1CC[C@H]1C(=O)N1CN[C@H](N)[C@H]2NCN[C@H]21 ZINC001182871656 781729817 /nfs/dbraw/zinc/72/98/17/781729817.db2.gz SOMKIEWAYQNMKG-VLEAKVRGSA-N 2 0 268.365 -2.012 20 0 CAADRP CN(CC(=O)N(CCCC[NH3+])C(N)=[NH2+])S(C)(=O)=O ZINC001182880117 781730489 /nfs/dbraw/zinc/73/04/89/781730489.db2.gz VOJHFMXHRHVETI-UHFFFAOYSA-N 2 0 279.366 -1.661 20 0 CAADRP C[NH+](C)[C@H]1C[C@@H](C(=O)NCCN(CC[NH3+])N(O)N=O)C1 ZINC001183379967 781743078 /nfs/dbraw/zinc/74/30/78/781743078.db2.gz UWFFVGUAJYTYFZ-AOOOYVTPSA-N 2 0 288.352 -1.009 20 0 CAADRP CC[C@H](C(=O)N1CC[C@@H]([NH2+]CC(=O)NC(N)=O)C1)[NH+](C)C ZINC001183581255 781746540 /nfs/dbraw/zinc/74/65/40/781746540.db2.gz GXQIQOZJENIHOD-NXEZZACHSA-N 2 0 299.375 -1.288 20 0 CAADRP CN1CC[N@H+](C)C[C@H]1C(=O)n1cnc(C[NH3+])cc1=N ZINC001185261339 781779098 /nfs/dbraw/zinc/77/90/98/781779098.db2.gz FGAKUFKSJOQSCH-JTQLQIEISA-N 2 0 264.333 -1.293 20 0 CAADRP CN1CCN(C)[C@H](C(=O)N(CCCC[NH3+])C(N)=[NH2+])C1 ZINC001185263718 781780187 /nfs/dbraw/zinc/78/01/87/781780187.db2.gz VFEBJIAMVUDNCO-JTQLQIEISA-N 2 0 270.381 -1.307 20 0 CAADRP C[NH+](C)CCC(=O)N1CC[C@@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001185408699 781784966 /nfs/dbraw/zinc/78/49/66/781784966.db2.gz WLCNZYNLKSFVBN-SECBINFHSA-N 2 0 285.348 -1.677 20 0 CAADRP C[C@@H]([NH2+][C@@H]1CCN(C(=O)CC[NH+](C)C)C1)C(=O)NC(N)=O ZINC001185401414 781785900 /nfs/dbraw/zinc/78/59/00/781785900.db2.gz PRMDQEPSROZPRR-NXEZZACHSA-N 2 0 299.375 -1.288 20 0 CAADRP NC(=[NH2+])N(CCCC[NH3+])C(=O)CN1CC[C@H](O)C1 ZINC001186049522 781796213 /nfs/dbraw/zinc/79/62/13/781796213.db2.gz LWBBWPFZVMIADA-VIFPVBQESA-N 2 0 257.338 -1.486 20 0 CAADRP NC(=[NH2+])N(CCCC[NH3+])C(=O)CN1CC[C@@H](O)C1 ZINC001186049519 781796999 /nfs/dbraw/zinc/79/69/99/781796999.db2.gz LWBBWPFZVMIADA-SECBINFHSA-N 2 0 257.338 -1.486 20 0 CAADRP C[NH+](C)CCOCC(=O)N1CC[C@@H]([NH2+]CC(N)=O)C1 ZINC001187114934 781814358 /nfs/dbraw/zinc/81/43/58/781814358.db2.gz CZQKDPRRSOMMBN-SNVBAGLBSA-N 2 0 272.349 -1.760 20 0 CAADRP C[NH+](C)CCOCC(=O)N1CC[C@@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001187115320 781814403 /nfs/dbraw/zinc/81/44/03/781814403.db2.gz IZCOJBRELLTCTF-NEPJUHHUSA-N 2 0 298.387 -1.356 20 0 CAADRP CNC(=O)C[NH2+][C@@H]1CCN(C(=O)Cn2ccnc2)C1 ZINC001188368601 781837580 /nfs/dbraw/zinc/83/75/80/781837580.db2.gz DFYYTQOEMUMTSR-SNVBAGLBSA-N 2 0 265.317 -1.180 20 0 CAADRP Cn1c(C(=O)N(CCCC[NH3+])C(N)=[NH2+])cc(=O)n(C)c1=O ZINC001189437310 781857701 /nfs/dbraw/zinc/85/77/01/781857701.db2.gz OUSFFSISCIYUIB-UHFFFAOYSA-N 2 0 296.331 -1.841 20 0 CAADRP CC[C@@H](C(=O)NC[C@H](CO)[NH2+]CC(=O)N(C)C)[NH+](C)C ZINC001423255421 890654465 /nfs/dbraw/zinc/65/44/65/890654465.db2.gz AWCRGKUAKYJQFD-MNOVXSKESA-N 2 0 288.392 -1.519 20 0 CAADRP CC[C@@H](C(=O)N(C)C[C@H](O)C[NH2+]CC(=O)NC)[NH+](C)C ZINC001426036850 890848010 /nfs/dbraw/zinc/84/80/10/890848010.db2.gz AMBWPYOWEMXIRX-MNOVXSKESA-N 2 0 288.392 -1.519 20 0 CAADRP C[NH+](C)C[C@@H]1CN(S(=O)(=O)N2CC[NH2+]CC2)CCO1 ZINC000923612645 883996021 /nfs/dbraw/zinc/99/60/21/883996021.db2.gz RIWDXUVQURYYAA-LLVKDONJSA-N 2 0 292.405 -1.601 20 0 CAADRP CC[NH+](CC)C[C@H](O)CN[C@@]12CC[NH2+][C@@H]1CC(=O)N2 ZINC001245978451 884079090 /nfs/dbraw/zinc/07/90/90/884079090.db2.gz LXWOTNJRILZXBI-NQBHXWOUSA-N 2 0 270.377 -1.143 20 0 CAADRP CC[NH+](CC)C[C@H](O)CN[C@]12CC[NH2+][C@@H]1CC(=O)N2 ZINC001245978453 884079109 /nfs/dbraw/zinc/07/91/09/884079109.db2.gz LXWOTNJRILZXBI-WZRBSPASSA-N 2 0 270.377 -1.143 20 0 CAADRP O[C@]1(CN2CC[NH2+]CCNCC[NH2+]CC2)CCC[NH2+]C1 ZINC001246053028 884079224 /nfs/dbraw/zinc/07/92/24/884079224.db2.gz GVVFJEFMICKQPP-CQSZACIVSA-N 3 0 285.436 -1.815 20 0 CAADRP CC(C)(C)[NH2+]C[C@@H](O)CN[C@]12CC[NH2+][C@H]1CC(=O)N2 ZINC001245979293 884079287 /nfs/dbraw/zinc/07/92/87/884079287.db2.gz SKIJTTWXQXIJLU-NRUUGDAUSA-N 2 0 270.377 -1.097 20 0 CAADRP COC(=O)[C@@H]1CN(C[C@@]2(O)CCC[NH2+]C2)C[C@@H]1[NH3+] ZINC001246051266 884079322 /nfs/dbraw/zinc/07/93/22/884079322.db2.gz JIEIXDJIMZJQPH-JFGNBEQYSA-N 2 0 257.334 -1.467 20 0 CAADRP CC(C)(C)[NH2+]C[C@@H](O)CN[C@@]12CC[NH2+][C@H]1CC(=O)N2 ZINC001245979291 884079502 /nfs/dbraw/zinc/07/95/02/884079502.db2.gz SKIJTTWXQXIJLU-GBIKHYSHSA-N 2 0 270.377 -1.097 20 0 CAADRP COC(=O)[C@@H]1CN(C[C@]2(O)CCC[NH2+]C2)C[C@@H]1[NH3+] ZINC001246051267 884079522 /nfs/dbraw/zinc/07/95/22/884079522.db2.gz JIEIXDJIMZJQPH-SCVCMEIPSA-N 2 0 257.334 -1.467 20 0 CAADRP COC(=O)[C@@H]1CN(C[C@]2(O)CCC[NH2+]C2)C[C@H]1[NH3+] ZINC001246051264 884079642 /nfs/dbraw/zinc/07/96/42/884079642.db2.gz JIEIXDJIMZJQPH-FOGDFJRCSA-N 2 0 257.334 -1.467 20 0 CAADRP CC[NH+](CC)C[C@H](O)CN[C@@]12CC[NH2+][C@H]1CC(=O)N2 ZINC001245978452 884079659 /nfs/dbraw/zinc/07/96/59/884079659.db2.gz LXWOTNJRILZXBI-NTZNESFSSA-N 2 0 270.377 -1.143 20 0 CAADRP C[C@H](CNC(=O)COCC[NH3+])C[NH+]1CCN(C)CC1 ZINC001326026419 884760898 /nfs/dbraw/zinc/76/08/98/884760898.db2.gz CMYIBQGFRACLSM-GFCCVEGCSA-N 2 0 272.393 -1.039 20 0 CAADRP CC[C@]1(C(=O)NCC(=O)N2CC[NH2+]CC2)CC[NH2+]C1 ZINC001326556730 884806753 /nfs/dbraw/zinc/80/67/53/884806753.db2.gz OELYLNCJLKLMTP-ZDUSSCGKSA-N 2 0 268.361 -1.076 20 0 CAADRP [NH3+]CCNC(=O)C[C@]1(C(=O)NCC[NH3+])CC[NH2+]C1 ZINC001326565698 884809107 /nfs/dbraw/zinc/80/91/07/884809107.db2.gz GPCRBPORWCEULU-LLVKDONJSA-N 3 0 257.338 -2.494 20 0 CAADRP O=C(C[C@@H]1C[NH2+]CCO1)NC[C@@H]1C[NH2+]CCCO1 ZINC001326923785 884846492 /nfs/dbraw/zinc/84/64/92/884846492.db2.gz QIRBONOEABUNTD-MNOVXSKESA-N 2 0 257.334 -1.140 20 0 CAADRP [NH3+]C[C@H]1OCC[C@@H]1C(=O)N1CCOC2(C[NH2+]C2)C1 ZINC001327599826 884909234 /nfs/dbraw/zinc/90/92/34/884909234.db2.gz WCSHHRPOAVDUNS-VHSXEESVSA-N 2 0 255.318 -1.449 20 0 CAADRP COC(=O)[C@@H]1C[NH2+]CCCN1C[C@@H]1C[NH2+]CCO1 ZINC001327595767 884910267 /nfs/dbraw/zinc/91/02/67/884910267.db2.gz DWIULCAIRVVSAG-QWRGUYRKSA-N 2 0 257.334 -1.188 20 0 CAADRP COC(=O)[C@H]1C[NH2+]CCCN1C[C@H]1C[NH2+]CCO1 ZINC001327595765 884907610 /nfs/dbraw/zinc/90/76/10/884907610.db2.gz DWIULCAIRVVSAG-GHMZBOCLSA-N 2 0 257.334 -1.188 20 0 CAADRP [NH3+]CCn1cc(C(=O)NCC[C@@H]2CC[NH2+]C2)nn1 ZINC001327919655 884937131 /nfs/dbraw/zinc/93/71/31/884937131.db2.gz URXUYRNDJTVKGL-VIFPVBQESA-N 2 0 252.322 -1.034 20 0 CAADRP CC1(C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)C[NH2+]C1 ZINC001327929135 884940958 /nfs/dbraw/zinc/94/09/58/884940958.db2.gz NUVKFBUPIUPGEM-UHFFFAOYSA-N 2 0 251.290 -1.133 20 0 CAADRP C[NH2+]CCOCCNC(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC001328959443 885036852 /nfs/dbraw/zinc/03/68/52/885036852.db2.gz OAKDAHKJMDZNAK-LBPRGKRZSA-N 2 0 287.408 -1.233 20 0 CAADRP O[C@@H](C[NH2+]C[C@H](O)C[NH+]1CCCC1)Cn1ccnn1 ZINC001329223834 885078518 /nfs/dbraw/zinc/07/85/18/885078518.db2.gz WLUAWJUQAOVFSZ-RYUDHWBXSA-N 2 0 269.349 -1.315 20 0 CAADRP [NH3+]CC(=O)NCC(=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC001329319245 885087056 /nfs/dbraw/zinc/08/70/56/885087056.db2.gz MRTPBRQXIDTLAP-UHFFFAOYSA-N 2 0 262.313 -1.019 20 0 CAADRP C[NH+](C)CCn1ccc(NC(=O)CNC(=O)C[NH3+])n1 ZINC001329562072 885118556 /nfs/dbraw/zinc/11/85/56/885118556.db2.gz QGRXHKJPXGAXEK-UHFFFAOYSA-N 2 0 268.321 -1.542 20 0 CAADRP CN1CCOC[C@H]1C[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC001329596235 885120535 /nfs/dbraw/zinc/12/05/35/885120535.db2.gz LMSFQKVCGYLUOC-KGLIPLIRSA-N 2 0 286.420 -1.485 20 0 CAADRP CN(C1CC[NH2+]CC1)S(=O)(=O)N1CC[C@H]([NH3+])C1 ZINC001329755908 885139682 /nfs/dbraw/zinc/13/96/82/885139682.db2.gz WHMCMVYDZUDVNF-VIFPVBQESA-N 2 0 262.379 -1.052 20 0 CAADRP C[NH2+]CCOCCNC(=O)C(=O)NC1CC[NH+](C)CC1 ZINC001330010440 885165339 /nfs/dbraw/zinc/16/53/39/885165339.db2.gz VAOYUXDOEAWNCJ-UHFFFAOYSA-N 2 0 286.376 -1.451 20 0 CAADRP [NH3+]C1CCN(S(=O)(=O)C[C@@H]2C[NH2+]CCO2)CC1 ZINC001330367178 885192588 /nfs/dbraw/zinc/19/25/88/885192588.db2.gz RNGNPZNQSZYALX-JTQLQIEISA-N 2 0 263.363 -1.272 20 0 CAADRP C[C@@]1(C(=O)NCC2([NH3+])CCOCC2)C[NH2+]CCO1 ZINC001330608255 885210869 /nfs/dbraw/zinc/21/08/69/885210869.db2.gz NIIQNUZZWAOODD-NSHDSACASA-N 2 0 257.334 -1.011 20 0 CAADRP CN(CCOCC[NH3+])C(=O)C1([S@](C)=O)CC[NH2+]CC1 ZINC001330625261 885215358 /nfs/dbraw/zinc/21/53/58/885215358.db2.gz MSAZQOWBAGIICM-IBGZPJMESA-N 2 0 291.417 -1.079 20 0 CAADRP [NH3+]CC(=O)NCC(=O)N1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC001330619627 885215498 /nfs/dbraw/zinc/21/54/98/885215498.db2.gz QFIPGQZOAOOIIA-ZJUUUORDSA-N 2 0 254.334 -1.338 20 0 CAADRP C[C@]12C[NH2+]C[C@H]1CN(CC(=O)N1CC[NH2+]CC1)C2 ZINC001330698980 885222793 /nfs/dbraw/zinc/22/27/93/885222793.db2.gz WTFLNAYVTLGQMC-WCQYABFASA-N 2 0 252.362 -1.041 20 0 CAADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]CCN2CC[C@H](O)C2)CC1 ZINC001331847995 885356301 /nfs/dbraw/zinc/35/63/01/885356301.db2.gz VNBMPDYKHMEMCU-KBPBESRZSA-N 2 0 286.420 -1.749 20 0 CAADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)NCC[C@H](C)[NH3+])C1 ZINC001331950549 885369000 /nfs/dbraw/zinc/36/90/00/885369000.db2.gz USMHDYVUVSZWQB-QWRGUYRKSA-N 2 0 286.376 -1.323 20 0 CAADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]CCCOCCO)CC1 ZINC001332361296 885403663 /nfs/dbraw/zinc/40/36/63/885403663.db2.gz YEBPGKKJMHLPSW-ZDUSSCGKSA-N 2 0 275.393 -1.417 20 0 CAADRP CC1(C)NC(=O)N(CCN2CC[NH2+]CC[NH2+]CC2)C1=O ZINC001332364412 885403672 /nfs/dbraw/zinc/40/36/72/885403672.db2.gz NNNBFEVYACNHOH-UHFFFAOYSA-N 2 0 283.376 -1.188 20 0 CAADRP O=S(=O)(NCCCN1CC[NH2+]CC1)C1C[NH2+]C1 ZINC001332364837 885403681 /nfs/dbraw/zinc/40/36/81/885403681.db2.gz PILUBIGGNKXVDM-UHFFFAOYSA-N 2 0 262.379 -1.827 20 0 CAADRP C[NH2+]C[C@@](C)(O)C[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC001332629043 885430748 /nfs/dbraw/zinc/43/07/48/885430748.db2.gz YSHJFOFYSNJWLX-QWHCGFSZSA-N 3 0 256.394 -1.064 20 0 CAADRP COC[C@@]1(C(=O)N2CC[C@H](C[NH3+])C2)C[NH2+]CCO1 ZINC001332958173 885451067 /nfs/dbraw/zinc/45/10/67/885451067.db2.gz HLXYUBXDSLFVJA-ZYHUDNBSSA-N 2 0 257.334 -1.201 20 0 CAADRP C[C@H]([NH3+])CNC(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC001333531615 885488397 /nfs/dbraw/zinc/48/83/97/885488397.db2.gz CMGZWBZMBUQCDS-LURJTMIESA-N 2 0 254.294 -1.213 20 0 CAADRP COC(=O)[C@H]1C[N@H+](CCOCC[NH3+])C[C@H]1C(=O)OC ZINC001336095794 885645351 /nfs/dbraw/zinc/64/53/51/885645351.db2.gz OJOZWCUUGPJNLZ-AOOOYVTPSA-N 2 0 274.317 -1.144 20 0 CAADRP C[C@@H]1C[NH2+]C[C@H]1NC(=O)NCC[N@@H+]1CC[C@H](O)C1 ZINC001336926461 885687397 /nfs/dbraw/zinc/68/73/97/885687397.db2.gz SIJJUUZWDDDBEU-OUAUKWLOSA-N 2 0 256.350 -1.040 20 0 CAADRP CCNC(=O)NCC[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC001336766281 885682713 /nfs/dbraw/zinc/68/27/13/885682713.db2.gz UPRPCJQVIOSAPB-GFCCVEGCSA-N 2 0 287.408 -1.497 20 0 CAADRP C[C@@H](C[NH2+]CCC(=O)NC(N)=O)N1CC[NH+](C)CC1 ZINC001336762697 885682730 /nfs/dbraw/zinc/68/27/30/885682730.db2.gz IGMWIUQLIJBSSR-JTQLQIEISA-N 2 0 271.365 -1.203 20 0 CAADRP [NH3+][C@@H]1CCN(C(=O)[C@@H]2CC(=O)N(C3C[NH2+]C3)C2)C1 ZINC001339709509 885776382 /nfs/dbraw/zinc/77/63/82/885776382.db2.gz LKYNTMZFJOMHRK-RKDXNWHRSA-N 2 0 252.318 -1.634 20 0 CAADRP COC(=O)[C@H]1C[NH2+]CCCN1C(=O)[C@@H]1C[C@@H]1C[NH3+] ZINC001340295401 885796822 /nfs/dbraw/zinc/79/68/22/885796822.db2.gz BOKFJWMHHPEURV-OPRDCNLKSA-N 2 0 255.318 -1.055 20 0 CAADRP C[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1CCCN(CC[NH3+])C1=O ZINC001340747814 885812732 /nfs/dbraw/zinc/81/27/32/885812732.db2.gz LWFAPDFNFZSZIB-MNOVXSKESA-N 2 0 286.376 -1.778 20 0 CAADRP CO[C@@H](C[NH3+])CC(=O)N1CCC[C@H]([NH2+]CCO)C1 ZINC001340731054 885811219 /nfs/dbraw/zinc/81/12/19/885811219.db2.gz XWNPQMSJTJWFPV-WDEREUQCSA-N 2 0 259.350 -1.077 20 0 CAADRP O=C(C[C@@]1(O)CCC[NH2+]C1)N1CC[NH2+]C[C@@H]1CO ZINC001340845053 885816255 /nfs/dbraw/zinc/81/62/55/885816255.db2.gz HDPSREDHJYLQOU-PWSUYJOCSA-N 2 0 257.334 -1.716 20 0 CAADRP CN1CC[NH2+]C[C@H]1C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC001340947091 885818913 /nfs/dbraw/zinc/81/89/13/885818913.db2.gz ZWVLWTNGRKOHFU-QWRGUYRKSA-N 2 0 256.350 -1.615 20 0 CAADRP CN1CCC([N@@H+]2CC[C@@H](NC(=O)CNCC[NH3+])C2)CC1 ZINC001340870151 885820279 /nfs/dbraw/zinc/82/02/79/885820279.db2.gz AYJXWXAZKNDIKG-GFCCVEGCSA-N 2 0 283.420 -1.181 20 0 CAADRP [NH3+][C@]1(CO)CCCN(C(=O)C[C@H]2C[NH2+]CCO2)C1 ZINC001341116435 885826525 /nfs/dbraw/zinc/82/65/25/885826525.db2.gz PEAILAXWGGOJQU-CMPLNLGQSA-N 2 0 257.334 -1.323 20 0 CAADRP CN1CC[NH2+]C[C@H]1C(=O)N1CCNCC[NH2+]CC1 ZINC001341099972 885826923 /nfs/dbraw/zinc/82/69/23/885826923.db2.gz OKUNEMDKJMUNOH-NSHDSACASA-N 2 0 255.366 -2.089 20 0 CAADRP O=C(CO[C@@H]1CCC[NH2+]C1)N1CCNCC[NH2+]CC1 ZINC001341111008 885828000 /nfs/dbraw/zinc/82/80/00/885828000.db2.gz QPTTWCNRFXJACO-GFCCVEGCSA-N 2 0 270.377 -1.224 20 0 CAADRP CC(C)[C@H]([NH3+])CNC(=O)[C@H]1CC(=O)N(C2C[NH2+]C2)C1 ZINC001341241485 885830293 /nfs/dbraw/zinc/83/02/93/885830293.db2.gz KIHKRJRNMFUYST-GXSJLCMTSA-N 2 0 268.361 -1.094 20 0 CAADRP O=C(CNC(=O)[C@H]1CCC[NH2+]1)N1CCNCC[NH2+]CC1 ZINC001341223968 885830876 /nfs/dbraw/zinc/83/08/76/885830876.db2.gz XOUMOXSQNBMZFV-LLVKDONJSA-N 2 0 283.376 -2.124 20 0 CAADRP O=C(NCC[NH2+]C1CC1)[C@H]1CC(=O)N(C2C[NH2+]C2)C1 ZINC001341244621 885831260 /nfs/dbraw/zinc/83/12/60/885831260.db2.gz QLPITAFHOMBVRX-VIFPVBQESA-N 2 0 266.345 -1.325 20 0 CAADRP O=C(NCC[NH2+]C1CC1)[C@@H]1CC(=O)N(C2C[NH2+]C2)C1 ZINC001341244620 885832479 /nfs/dbraw/zinc/83/24/79/885832479.db2.gz QLPITAFHOMBVRX-SECBINFHSA-N 2 0 266.345 -1.325 20 0 CAADRP NC(=O)CN1CCC[C@@H](NC(=O)C23CC(C2)C[NH2+]3)C1 ZINC001341672418 885854026 /nfs/dbraw/zinc/85/40/26/885854026.db2.gz GPPVWIOXLXKRAW-RUETXSTFSA-N 2 0 266.345 -1.196 20 0 CAADRP O=C(CN1CC[NH2+]CC1)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC001341899679 885859738 /nfs/dbraw/zinc/85/97/38/885859738.db2.gz WDFRZWKGJAISEF-NWDGAFQWSA-N 2 0 252.362 -1.041 20 0 CAADRP [NH3+][C@@]1(CO)CCCN(C(=O)C[C@@H]2COCC[NH2+]2)C1 ZINC001341856257 885861077 /nfs/dbraw/zinc/86/10/77/885861077.db2.gz ATQNJSTWFSBVDJ-PWSUYJOCSA-N 2 0 257.334 -1.323 20 0 CAADRP O=C(CN1CC[NH2+]CC1)N1CCNCC[NH2+]CC1 ZINC001341842021 885861401 /nfs/dbraw/zinc/86/14/01/885861401.db2.gz YTPLSFJVJZRKDG-UHFFFAOYSA-N 2 0 255.366 -2.087 20 0 CAADRP [NH3+][C@H](CO)C(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC001341922441 885863468 /nfs/dbraw/zinc/86/34/68/885863468.db2.gz CAKPEBSEQYBLQS-GMTAPVOTSA-N 2 0 257.334 -1.636 20 0 CAADRP C[NH2+]C[C@H](O)[C@H](C)C(=O)N[C@H]1COC2(C[NH2+]C2)C1 ZINC001342215735 885877093 /nfs/dbraw/zinc/87/70/93/885877093.db2.gz NQHDIVLNTXAXCI-AEJSXWLSSA-N 2 0 257.334 -1.550 20 0 CAADRP O=C(C[C@H]1COCC[NH2+]1)N[C@H]1COC2(C[NH2+]C2)C1 ZINC001342215536 885877150 /nfs/dbraw/zinc/87/71/50/885877150.db2.gz MCUOXBCUTIQPKX-VHSXEESVSA-N 2 0 255.318 -1.388 20 0 CAADRP C[NH2+]C[C@@H](O)[C@@H](C)C(=O)N1CCOC2(C[NH2+]C2)C1 ZINC001342190929 885877337 /nfs/dbraw/zinc/87/73/37/885877337.db2.gz YBRCKPUQFHTNGU-NXEZZACHSA-N 2 0 257.334 -1.596 20 0 CAADRP C[C@@H]([NH3+])CONC(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC001342163861 885877699 /nfs/dbraw/zinc/87/76/99/885877699.db2.gz PWOIIOYNWZILJI-ZJUUUORDSA-N 2 0 272.349 -1.209 20 0 CAADRP C[C@@H]([NH3+])C1(C(=O)N[C@@H]2C[NH2+]C[C@@H]2O)CCOCC1 ZINC001342265593 885879126 /nfs/dbraw/zinc/87/91/26/885879126.db2.gz ORHWWDJGTGARCL-BBBLOLIVSA-N 2 0 257.334 -1.421 20 0 CAADRP C[NH2+]C[C@@H](C)NC(=O)[C@H]1CC(=O)N(C2C[NH2+]C2)C1 ZINC001342266496 885881029 /nfs/dbraw/zinc/88/10/29/885881029.db2.gz XYEICGZDGSNRDG-BDAKNGLRSA-N 2 0 254.334 -1.469 20 0 CAADRP [NH3+]CCCOCCNC(=O)[C@@H]1CC(=O)N(C2C[NH2+]C2)C1 ZINC001342320187 885882012 /nfs/dbraw/zinc/88/20/12/885882012.db2.gz IRFUQPNGLSYNSV-SNVBAGLBSA-N 2 0 284.360 -1.712 20 0 CAADRP [NH3+]CCN1CCC[C@H](C(=O)NC[C@@H]2COCC[NH2+]2)C1=O ZINC001342312172 885882083 /nfs/dbraw/zinc/88/20/83/885882083.db2.gz FGRFMPHDJZTQHJ-GHMZBOCLSA-N 2 0 284.360 -1.712 20 0 CAADRP O=C(N1NC(=O)C[C@@]12CC[NH2+]C2)[C@@]1(F)CC[NH2+]C1 ZINC001342375630 885883694 /nfs/dbraw/zinc/88/36/94/885883694.db2.gz XKQCVYXJLYCREN-GHMZBOCLSA-N 2 0 256.281 -1.316 20 0 CAADRP CC[NH2+]CCCNC(=O)[C@]12C[NH2+]C[C@H]1CS(=O)(=O)C2 ZINC001343024195 885904365 /nfs/dbraw/zinc/90/43/65/885904365.db2.gz YJHLMGLCYKPXDK-JQWIXIFHSA-N 2 0 289.401 -1.264 20 0 CAADRP O=C(NC[C@@H]1CCC[NH2+]1)[C@@H]1CC(=O)N(C2C[NH2+]C2)C1 ZINC001343036673 885904736 /nfs/dbraw/zinc/90/47/36/885904736.db2.gz GUHMAGLKWZIMMS-ZJUUUORDSA-N 2 0 266.345 -1.325 20 0 CAADRP [NH3+]C[C@@H]1CCN(C(=O)[C@@H]2CC(=O)N(C3C[NH2+]C3)C2)C1 ZINC001343039515 885904925 /nfs/dbraw/zinc/90/49/25/885904925.db2.gz YXFCYOGFDXVXTH-VHSXEESVSA-N 2 0 266.345 -1.386 20 0 CAADRP O=C(C[C@]1(O)CCC[NH2+]C1)N1CCNCC[NH2+]CC1 ZINC001342622129 885894249 /nfs/dbraw/zinc/89/42/49/885894249.db2.gz LSQQFEJURBNXRG-CYBMUJFWSA-N 2 0 270.377 -1.488 20 0 CAADRP COC[C@@H]1C[NH2+]CCN1C(=O)[C@@H]1C[NH2+]CCN1C ZINC001343178486 885908744 /nfs/dbraw/zinc/90/87/44/885908744.db2.gz KTPSGNZVSQVXDQ-QWRGUYRKSA-N 2 0 256.350 -1.663 20 0 CAADRP C[NH2+]C[C@H](O)[C@@H](C)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC001343505154 885916087 /nfs/dbraw/zinc/91/60/87/885916087.db2.gz LKWPTKNDBQRSML-VWYCJHECSA-N 2 0 259.350 -1.303 20 0 CAADRP O=C([C@@H]1C[NH2+]CCO1)N1NC(=O)C[C@]12CC[NH2+]C2 ZINC001344439586 885940740 /nfs/dbraw/zinc/94/07/40/885940740.db2.gz WWVSJKVJJQSYJY-KWQFWETISA-N 2 0 254.290 -2.030 20 0 CAADRP [NH3+][C@H](CO)C(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC001344505336 885944819 /nfs/dbraw/zinc/94/48/19/885944819.db2.gz LKSRAJNLJZUUDN-NXEZZACHSA-N 2 0 257.334 -1.419 20 0 CAADRP [NH3+]CC(=O)NCC(=O)NC[C@]12CCC[C@H]1[NH2+]CC2 ZINC001344911866 885952012 /nfs/dbraw/zinc/95/20/12/885952012.db2.gz QPOZNBGIMUJGOA-BXKDBHETSA-N 2 0 254.334 -1.290 20 0 CAADRP [NH3+]C[C@@H]1CN(C(=O)C[C@@H]2COCC[NH2+]2)CCCO1 ZINC001346029518 885980282 /nfs/dbraw/zinc/98/02/82/885980282.db2.gz OPWCJMFSESAQRR-GHMZBOCLSA-N 2 0 257.334 -1.059 20 0 CAADRP CN(CCN1CC[NH2+]CC1)C(=O)CNC(=O)C[NH3+] ZINC001349386781 886124351 /nfs/dbraw/zinc/12/43/51/886124351.db2.gz VGUDBDOVWROWSD-UHFFFAOYSA-N 2 0 257.338 -2.575 20 0 CAADRP [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)C2([NH3+])CC2)C1 ZINC001349386980 886124420 /nfs/dbraw/zinc/12/44/20/886124420.db2.gz ZJWAXCZMLOCFLA-VIFPVBQESA-N 2 0 254.334 -1.209 20 0 CAADRP [NH3+]C/C=C\CNC(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC001349837833 886155108 /nfs/dbraw/zinc/15/51/08/886155108.db2.gz DBQNFGYKQXTWGU-WQJDUCKJSA-N 2 0 254.334 -1.038 20 0 CAADRP C[C@@H](CNC(=O)C1(O)C[NH2+]C1)N1CC[NH+](C)CC1 ZINC001350405013 886171927 /nfs/dbraw/zinc/17/19/27/886171927.db2.gz HDPSTRQXVSTVKI-JTQLQIEISA-N 2 0 256.350 -1.927 20 0 CAADRP O=C([C@H]1CC(=O)N(C2C[NH2+]C2)C1)N1CC[NH2+]CC1 ZINC001352978525 886257314 /nfs/dbraw/zinc/25/73/14/886257314.db2.gz UGSGFSCJLDKISX-VIFPVBQESA-N 2 0 252.318 -1.762 20 0 CAADRP COC[C@H]1C[NH2+]CCN1C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001353429122 886278618 /nfs/dbraw/zinc/27/86/18/886278618.db2.gz KRAFBFNKUQLXDX-ZNSHCXBVSA-N 2 0 254.334 -1.166 20 0 CAADRP C[C@@H]([NH3+])CONC(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC001354063362 886299390 /nfs/dbraw/zinc/29/93/90/886299390.db2.gz PUYJETWDMYIDIC-RKDXNWHRSA-N 2 0 258.322 -1.360 20 0 CAADRP CN(C(=O)[C@@H]1CC(=O)N(C2C[NH2+]C2)C1)C1CC([NH3+])C1 ZINC001353654670 886282079 /nfs/dbraw/zinc/28/20/79/886282079.db2.gz KBASEKAAPSHAST-XNWIYYODSA-N 2 0 266.345 -1.245 20 0 CAADRP [NH3+]CC1(C(=O)NC[C@@H]2C[NH2+]CCCO2)CC(O)C1 ZINC001357486207 886410188 /nfs/dbraw/zinc/41/01/88/886410188.db2.gz KHQHNSZXAASLRL-YZRBJQDESA-N 2 0 257.334 -1.419 20 0 CAADRP C[C@@H]1C[NH2+]C[C@H]1NC(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC001358069860 886420330 /nfs/dbraw/zinc/42/03/30/886420330.db2.gz ALQPEVODSWLLLB-GMTAPVOTSA-N 2 0 268.361 -1.031 20 0 CAADRP CN1CCN(C(=O)[C@H](N)CC[NH+](C)C)CC[N@H+](C)CC1 ZINC001358444190 886427928 /nfs/dbraw/zinc/42/79/28/886427928.db2.gz IXNGFUUQFODEQK-CYBMUJFWSA-N 2 0 285.436 -1.029 20 0 CAADRP C[C@@H](CCNC(=O)CC[NH+](C)C)[NH2+]CC(=O)NC(N)=O ZINC001366483616 887302553 /nfs/dbraw/zinc/30/25/53/887302553.db2.gz GAXRINIMYOOKLR-VIFPVBQESA-N 2 0 287.364 -1.383 20 0 CAADRP CNC(=O)[C@H](C)[NH2+]C[C@H](O)CNC(=O)C[NH+]1CCCC1 ZINC001367629678 887416946 /nfs/dbraw/zinc/41/69/46/887416946.db2.gz YAANKICPYFNGGF-QWRGUYRKSA-N 2 0 286.376 -1.717 20 0 CAADRP C[N@@H+]1CC[C@@H](C(=O)NC[C@@]2(O)CC[NH+](CCCO)C2)C1 ZINC001368291602 887470198 /nfs/dbraw/zinc/47/01/98/887470198.db2.gz WYIMGJNSSIRVRS-OCCSQVGLSA-N 2 0 285.388 -1.127 20 0 CAADRP C[C@@H]1[C@H](C(=O)N(C)C[C@@H](O)C[NH2+]CC(N)=O)CC[N@@H+]1C ZINC001369476186 887576319 /nfs/dbraw/zinc/57/63/19/887576319.db2.gz ZILOPAZLYPCVPR-OUAUKWLOSA-N 2 0 286.376 -1.779 20 0 CAADRP C[C@H](C[NH+]1CCOCC1)C(=O)NCC1C[NH+](CCO)C1 ZINC001373558305 887749522 /nfs/dbraw/zinc/74/95/22/887749522.db2.gz TUBHDXPUBNKBCD-GFCCVEGCSA-N 2 0 285.388 -1.005 20 0 CAADRP C[C@@H]([NH2+]C[C@H](O)CNC(=O)C12CC[NH+](CC1)C2)C(N)=O ZINC001392424385 888707048 /nfs/dbraw/zinc/70/70/48/888707048.db2.gz NRGWWDDPNPKJCX-ZJUUUORDSA-N 2 0 284.360 -1.977 20 0 CAADRP C[C@@H]([NH2+]C[C@@H]1CN(C(=O)CC[NH+](C)C)CCO1)C(N)=O ZINC001393580007 888795280 /nfs/dbraw/zinc/79/52/80/888795280.db2.gz AJVXPCHZLHIXAU-GHMZBOCLSA-N 2 0 286.376 -1.371 20 0 CAADRP O=C(NC[C@H](CO)[NH2+]CCO)[C@@H]1C[NH+]2CCC1CC2 ZINC001394582384 888849820 /nfs/dbraw/zinc/84/98/20/888849820.db2.gz DPELSLNJXGUAHF-VXGBXAGGSA-N 2 0 271.361 -1.613 20 0 CAADRP C[C@@H](CN(C)C(=O)CC[NH+](C)C)[NH2+]CC(=O)NC(N)=O ZINC001394517092 888835422 /nfs/dbraw/zinc/83/54/22/888835422.db2.gz GXRJOXJXWVUOFD-VIFPVBQESA-N 2 0 287.364 -1.431 20 0 CAADRP CN(C[C@H](O)C[N@H+](C)CCO)C(=O)C12CC[NH+](CC1)C2 ZINC001394780992 888896302 /nfs/dbraw/zinc/89/63/02/888896302.db2.gz GSSRDBFEUIOBIR-GFCCVEGCSA-N 2 0 285.388 -1.174 20 0 CAADRP CN(C[C@H](O)C[N@H+](C)CCO)C(=O)C[NH+]1CCCC1 ZINC001394792483 888896328 /nfs/dbraw/zinc/89/63/28/888896328.db2.gz OIWPCJBPUJNNOG-GFCCVEGCSA-N 2 0 273.377 -1.174 20 0 CAADRP CN(C[C@H](O)C[NH2+]CC(N)=O)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001403874967 889378770 /nfs/dbraw/zinc/37/87/70/889378770.db2.gz HZPVVWMWSHOBCJ-NXEZZACHSA-N 2 0 272.349 -2.168 20 0 CAADRP C[C@@H]1[C@H](C(=O)NCC[NH2+]CC(=O)NC(N)=O)CC[N@@H+]1C ZINC001127643745 884058189 /nfs/dbraw/zinc/05/81/89/884058189.db2.gz JTYGNDAFIPWZDC-RKDXNWHRSA-N 2 0 285.348 -1.773 20 0 CAADRP C[C@H]([NH2+]CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(N)=O ZINC001127638828 884058244 /nfs/dbraw/zinc/05/82/44/884058244.db2.gz RNWRSETVWCWFQQ-IVZWLZJFSA-N 2 0 256.350 -1.094 20 0 CAADRP [NH3+]CCc1nnn(-c2ccc(N3CC[NH2+]CC3)nc2)n1 ZINC001167791116 884066180 /nfs/dbraw/zinc/06/61/80/884066180.db2.gz RTXMBGKMURAFKX-UHFFFAOYSA-N 2 0 274.332 -1.032 20 0 CAADRP C[NH+](C)C[C@]1(O)CCN(c2nc(N)[nH+]c(N)n2)C1 ZINC001307189395 884119223 /nfs/dbraw/zinc/11/92/23/884119223.db2.gz FMDXQIAIQCDNGP-SNVBAGLBSA-N 2 0 253.310 -1.461 20 0 CAADRP CNC(=O)C[NH2+][C@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001317228050 884178750 /nfs/dbraw/zinc/17/87/50/884178750.db2.gz DYTYDISRRKQXBZ-NXEZZACHSA-N 2 0 256.350 -1.079 20 0 CAADRP CN(CC[NH2+]CC(=O)NC(N)=O)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001317654089 884230615 /nfs/dbraw/zinc/23/06/15/884230615.db2.gz IATUFJBUEPPTPC-JTQLQIEISA-N 2 0 299.375 -1.429 20 0 CAADRP C[C@H]([NH2+]CCN(C)C(=O)[C@@H]1CC[N@H+](C)C1)C(N)=O ZINC001317662115 884235847 /nfs/dbraw/zinc/23/58/47/884235847.db2.gz UPJBOPVNNBYMII-VHSXEESVSA-N 2 0 256.350 -1.140 20 0 CAADRP C[C@H]([NH2+]CCN(C)C(=O)[C@H]1CC[N@H+](C)C1)C(N)=O ZINC001317662114 884236593 /nfs/dbraw/zinc/23/65/93/884236593.db2.gz UPJBOPVNNBYMII-UWVGGRQHSA-N 2 0 256.350 -1.140 20 0 CAADRP C[C@@H]([NH2+]CCN(C)C(=O)[C@H]1CC[N@H+](C)C1)C(N)=O ZINC001317662117 884237407 /nfs/dbraw/zinc/23/74/07/884237407.db2.gz UPJBOPVNNBYMII-ZJUUUORDSA-N 2 0 256.350 -1.140 20 0 CAADRP C[N@@H+]1CCC[C@H]1C(=O)NC[C@H](O)C[NH2+]CCCO ZINC001320204183 884387137 /nfs/dbraw/zinc/38/71/37/884387137.db2.gz OPCQBNQDYJLZIP-MNOVXSKESA-N 2 0 259.350 -1.470 20 0 CAADRP COCC[NH2+]C[C@H](O)CNC(=O)C[NH+]1CCCC1 ZINC001320313547 884415005 /nfs/dbraw/zinc/41/50/05/884415005.db2.gz MKLKLJYDQJOEDI-NSHDSACASA-N 2 0 259.350 -1.205 20 0 CAADRP C[C@H](CC[NH2+]CC(=O)NC(N)=O)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001320373158 884418659 /nfs/dbraw/zinc/41/86/59/884418659.db2.gz UJNWDRXJPZYXNT-ZJUUUORDSA-N 2 0 299.375 -1.240 20 0 CAADRP C[C@@H](CC[NH2+]CC(=O)NC(N)=O)NC(=O)CC[NH+](C)C ZINC001320541820 884430006 /nfs/dbraw/zinc/43/00/06/884430006.db2.gz AQAQSSXNYGZDFP-VIFPVBQESA-N 2 0 287.364 -1.383 20 0 CAADRP CCN(CC[NH2+]CC(N)=O)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001320920173 884455886 /nfs/dbraw/zinc/45/58/86/884455886.db2.gz BLXLUNRHNVQOKG-JTQLQIEISA-N 2 0 256.350 -1.139 20 0 CAADRP Cn1ncc(CCC[NH2+]C[C@H](O)CN2CC[NH+](C)CC2)n1 ZINC001325852988 884748392 /nfs/dbraw/zinc/74/83/92/884748392.db2.gz DWWXJVPCNHNSIO-AWEZNQCLSA-N 2 0 296.419 -1.054 20 0 CAADRP CN1C(=O)CC[C@@H]([NH2+]C[C@H](O)CN2CC[NH+](C)CC2)C1=O ZINC001325877638 884748460 /nfs/dbraw/zinc/74/84/60/884748460.db2.gz GDQXYLLUIUOLRW-NWDGAFQWSA-N 2 0 298.387 -1.668 20 0 CAADRP CN(C(=O)CNC(=O)C[NH3+])C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001326048561 884762580 /nfs/dbraw/zinc/76/25/80/884762580.db2.gz JESMESZKVPTUQH-ULKQDVFKSA-N 2 0 254.334 -1.197 20 0 CAADRP [NH3+][C@H]1CCN(C(=O)CCNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC001326088737 884766772 /nfs/dbraw/zinc/76/67/72/884766772.db2.gz WDSPEOVIWGFCLM-VHSXEESVSA-N 2 0 254.334 -1.196 20 0 CAADRP C[NH2+]C[C@@H]1CCN(C(=O)CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC001326258283 884777249 /nfs/dbraw/zinc/77/72/49/884777249.db2.gz HZWJOENJDUTQGR-WDEREUQCSA-N 2 0 268.361 -1.078 20 0 CAADRP CC[N@H+](C)C[C@@H]1CCN(C(=O)CNC(=O)C[NH3+])C1 ZINC001326340341 884784046 /nfs/dbraw/zinc/78/40/46/884784046.db2.gz JEEAJEUTDBMOJB-JTQLQIEISA-N 2 0 256.350 -1.139 20 0 CAADRP [NH3+]Cc1ccc(C(=O)NCC(=O)N2CC[NH2+]CC2)o1 ZINC001326361072 884788222 /nfs/dbraw/zinc/78/82/22/884788222.db2.gz FWWLXEXBKCEZNB-UHFFFAOYSA-N 2 0 266.301 -1.100 20 0 CAADRP C[C@H]([NH3+])[C@H]1CN(C(=O)[C@H](N)CC[NH+](C)C)CCO1 ZINC001326576462 884810127 /nfs/dbraw/zinc/81/01/27/884810127.db2.gz DRMMRFAEOZWKLK-HBNTYKKESA-N 2 0 258.366 -1.160 20 0 CAADRP CC[NH2+]CCNC(=O)C1(S(C)(=O)=O)CC[NH2+]CC1 ZINC001326581817 884811715 /nfs/dbraw/zinc/81/17/15/884811715.db2.gz HMSFUXCGAONBMZ-UHFFFAOYSA-N 2 0 277.390 -1.121 20 0 CAADRP CN(C)C(=O)CC[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC001326584994 884812074 /nfs/dbraw/zinc/81/20/74/884812074.db2.gz UTJFDBOSIMCMFB-LBPRGKRZSA-N 2 0 272.393 -1.337 20 0 CAADRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)NCCC[NH3+])C1 ZINC001326805970 884835999 /nfs/dbraw/zinc/83/59/99/884835999.db2.gz CRRMUWIMDRBVBJ-AOOOYVTPSA-N 2 0 256.350 -1.092 20 0 CAADRP C[NH+](C)CCOCCNC(=O)c1cn(CCC[NH3+])nn1 ZINC001326816132 884839168 /nfs/dbraw/zinc/83/91/68/884839168.db2.gz DIZJETADDMRQCM-UHFFFAOYSA-N 2 0 284.364 -1.065 20 0 CAADRP COCC[NH2+]CCNC(=O)c1cn(CCC[NH3+])nn1 ZINC001326833702 884839854 /nfs/dbraw/zinc/83/98/54/884839854.db2.gz FRXOYFBPJDTHNE-UHFFFAOYSA-N 2 0 270.337 -1.407 20 0 CAADRP C[NH+](C)CCn1cc(NC(=O)C(=O)N2CC[C@H]([NH3+])C2)cn1 ZINC001326859844 884843438 /nfs/dbraw/zinc/84/34/38/884843438.db2.gz WOAANMIBBGQTDH-JTQLQIEISA-N 2 0 294.359 -1.057 20 0 CAADRP C[NH2+][C@@H](C)CCNC(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC001327160216 884868350 /nfs/dbraw/zinc/86/83/50/884868350.db2.gz NGPNYYCDKKEGBR-SDDRHHMPSA-N 2 0 298.387 -1.622 20 0 CAADRP CN(CCC[NH3+])C(=O)C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC001327470596 884890846 /nfs/dbraw/zinc/89/08/46/884890846.db2.gz FEBWIUYESUDYMA-NSHDSACASA-N 2 0 285.392 -1.844 20 0 CAADRP C[NH+](C)CCn1ccc(NC(=O)C(=O)N[C@H]2CC[NH2+]C2)n1 ZINC001327486287 884894915 /nfs/dbraw/zinc/89/49/15/884894915.db2.gz LZTDJZUYJXHJBO-JTQLQIEISA-N 2 0 294.359 -1.139 20 0 CAADRP CN(C)C(=O)[C@H]1CN(C[C@@H]2C[NH2+]CCO2)CC[NH2+]1 ZINC001327598002 884909063 /nfs/dbraw/zinc/90/90/63/884909063.db2.gz WFXGYUKXMHWVKJ-WDEREUQCSA-N 2 0 256.350 -1.663 20 0 CAADRP O=C(C[C@@H]1C[NH2+]CCO1)N1CCOC2(C[NH2+]C2)C1 ZINC001327628123 884912713 /nfs/dbraw/zinc/91/27/13/884912713.db2.gz ANTVGFBRZOCDDF-SNVBAGLBSA-N 2 0 255.318 -1.434 20 0 CAADRP O=C(COC1CC[NH2+]CC1)N1CCOC2(C[NH2+]C2)C1 ZINC001327615579 884912789 /nfs/dbraw/zinc/91/27/89/884912789.db2.gz FWUXRTWAOCZCEN-UHFFFAOYSA-N 2 0 269.345 -1.044 20 0 CAADRP C[NH2+]CCCC(=O)N1CCC(NC(=O)C2(O)C[NH2+]C2)CC1 ZINC001327614700 884914177 /nfs/dbraw/zinc/91/41/77/884914177.db2.gz SJUXSZVFZCXGKN-UHFFFAOYSA-N 2 0 298.387 -1.573 20 0 CAADRP O[C@@H]1C[NH+](C/C=C/C[N@@H+]2C[C@@H](O)[C@@H](O)C2)C[C@@H]1O ZINC001327617967 884914457 /nfs/dbraw/zinc/91/44/57/884914457.db2.gz YFIXVUYEFJFCRU-WTYPTZRFSA-N 2 0 258.318 -2.383 20 0 CAADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)C1=NO[C@@H](C[NH3+])C1 ZINC001327929139 884940524 /nfs/dbraw/zinc/94/05/24/884940524.db2.gz OAJOFZMTEKMFFB-NXEZZACHSA-N 2 0 269.349 -1.548 20 0 CAADRP CON(C)C(=O)C[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC001327990965 884948684 /nfs/dbraw/zinc/94/86/84/884948684.db2.gz BVMCDEPFPVVKEM-LLVKDONJSA-N 2 0 274.365 -1.796 20 0 CAADRP COCCC[NH+]1CCC(NC(=O)CNC(=O)C[NH3+])CC1 ZINC001328174020 884960564 /nfs/dbraw/zinc/96/05/64/884960564.db2.gz KWFLVIYXCZEYJC-UHFFFAOYSA-N 2 0 286.376 -1.322 20 0 CAADRP C[N@@H+]1CC[C@@H](C(=O)N2CCC(O)(C[NH2+]CCO)CC2)C1 ZINC001328217647 884961591 /nfs/dbraw/zinc/96/15/91/884961591.db2.gz KMAGRISYSWRXHS-GFCCVEGCSA-N 2 0 285.388 -1.127 20 0 CAADRP C[NH2+]C[C@@H](C)NC(=O)C(=O)NC1CC[NH+](C)CC1 ZINC001328349282 884972416 /nfs/dbraw/zinc/97/24/16/884972416.db2.gz HBBNQJKYKNJOBP-SECBINFHSA-N 2 0 256.350 -1.079 20 0 CAADRP CN(C)C(=O)[C@H]1C[N@H+](CCN2CC[NH2+]CC2)CCN1 ZINC001328493817 884991014 /nfs/dbraw/zinc/99/10/14/884991014.db2.gz YJKIFAWHSDTXJL-GFCCVEGCSA-N 2 0 269.393 -1.746 20 0 CAADRP C[NH+](C)CC[C@H](N)C(=O)N1CCOC2(C[NH2+]C2)C1 ZINC001328479240 884991454 /nfs/dbraw/zinc/99/14/54/884991454.db2.gz VNNKPBVODKRAEJ-JTQLQIEISA-N 2 0 256.350 -1.534 20 0 CAADRP COC1(C(=O)N2CCOC3(C[NH2+]C3)C2)CC[NH2+]CC1 ZINC001328479624 884991487 /nfs/dbraw/zinc/99/14/87/884991487.db2.gz YQWUGLAIRJUUKK-UHFFFAOYSA-N 2 0 269.345 -1.044 20 0 CAADRP C[NH2+]C[C@](C)(O)C[NH+]1CCC(OCC(N)=O)CC1 ZINC001328730546 885019847 /nfs/dbraw/zinc/01/98/47/885019847.db2.gz NTCGQPOSWLMBQU-LBPRGKRZSA-N 2 0 259.350 -1.077 20 0 CAADRP C[NH+](C)CCn1cc(NC(=O)C(=O)N2CC[C@@H]([NH3+])C2)cn1 ZINC001328800154 885023850 /nfs/dbraw/zinc/02/38/50/885023850.db2.gz WOAANMIBBGQTDH-SNVBAGLBSA-N 2 0 294.359 -1.057 20 0 CAADRP CN1CCN(C(=O)[C@H](N)CC[NH+](C)C)[C@H](C[NH3+])C1 ZINC001328841396 885026472 /nfs/dbraw/zinc/02/64/72/885026472.db2.gz PZXBKXKUNDQRES-GHMZBOCLSA-N 2 0 257.382 -1.633 20 0 CAADRP CCO[C@@H]1CN(C(=O)CNC(=O)C[NH3+])C[C@H]1C[NH3+] ZINC001328846852 885030298 /nfs/dbraw/zinc/03/02/98/885030298.db2.gz VYBAQIPCXVRUKC-RKDXNWHRSA-N 2 0 258.322 -2.117 20 0 CAADRP C[NH2+]CCOCCNC(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC001328959436 885037315 /nfs/dbraw/zinc/03/73/15/885037315.db2.gz OAKDAHKJMDZNAK-GFCCVEGCSA-N 2 0 287.408 -1.233 20 0 CAADRP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)N[C@@H]2CC[NH2+]C2)n1 ZINC001329056912 885054859 /nfs/dbraw/zinc/05/48/59/885054859.db2.gz YSINIWLYSQBBSA-SSDOTTSWSA-N 2 0 266.305 -1.198 20 0 CAADRP Nc1nc(N2CCC([NH2+]CCO)CC2)nc(N)[nH+]1 ZINC001329175503 885075297 /nfs/dbraw/zinc/07/52/97/885075297.db2.gz VEXVMRQBXUUQNC-UHFFFAOYSA-N 2 0 253.310 -1.413 20 0 CAADRP O=C(C[C@H]1COCC[NH2+]1)NC[C@H]1C[NH2+]CCCO1 ZINC001329373278 885094657 /nfs/dbraw/zinc/09/46/57/885094657.db2.gz WOVHPJAKXOJWIL-WDEREUQCSA-N 2 0 257.334 -1.140 20 0 CAADRP O=C(CC[N@H+]1CC[C@@H](O)[C@@H](O)C1)N1CC[NH2+]CC1 ZINC001329374710 885095900 /nfs/dbraw/zinc/09/59/00/885095900.db2.gz FGWDBMUPOLOEMN-MNOVXSKESA-N 2 0 257.334 -1.764 20 0 CAADRP [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)COCC[NH3+])C1 ZINC001329465238 885107185 /nfs/dbraw/zinc/10/71/85/885107185.db2.gz HRRWGVAKVVKRJO-SNVBAGLBSA-N 2 0 272.349 -1.725 20 0 CAADRP O=C1NC[C@@H]2CN(CCN3CC[NH2+]CC3)CCN2C1=O ZINC001329499924 885109416 /nfs/dbraw/zinc/10/94/16/885109416.db2.gz WPOKSLGYYXHGIX-LLVKDONJSA-N 2 0 281.360 -2.466 20 0 CAADRP CN1CCOC[C@H]1C[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC001329596237 885120368 /nfs/dbraw/zinc/12/03/68/885120368.db2.gz LMSFQKVCGYLUOC-ZIAGYGMSSA-N 2 0 286.420 -1.485 20 0 CAADRP Cn1cc(C[NH2+]CCOCCC[NH3+])c(=O)n(C)c1=O ZINC001329590026 885120458 /nfs/dbraw/zinc/12/04/58/885120458.db2.gz RPQXTBAYDYKKRK-UHFFFAOYSA-N 2 0 270.333 -1.461 20 0 CAADRP [NH3+]CCn1cc(C(=O)NCC23CC(C2)C[NH2+]3)nn1 ZINC001329936502 885157299 /nfs/dbraw/zinc/15/72/99/885157299.db2.gz GICMQQGVSLBCPS-UHFFFAOYSA-N 2 0 250.306 -1.281 20 0 CAADRP C[NH+]1CCN(C[C@@H](O)C[NH2+][C@@H]2COC[C@@H]2O)CC1 ZINC001330081994 885173793 /nfs/dbraw/zinc/17/37/93/885173793.db2.gz LWDYAKKKOLQZJB-TUAOUCFPSA-N 2 0 259.350 -2.056 20 0 CAADRP C[NH2+]CCOCCNS(=O)(=O)N(C)C1CC[NH2+]CC1 ZINC001330367402 885191208 /nfs/dbraw/zinc/19/12/08/885191208.db2.gz SEJREFQXNPPWLD-UHFFFAOYSA-N 2 0 294.421 -1.259 20 0 CAADRP C[NH+](C)C[C@@H]1CCN(C(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)C1 ZINC001330567459 885208266 /nfs/dbraw/zinc/20/82/66/885208266.db2.gz HGRUCFHCGBFCHA-SRVKXCTJSA-N 2 0 280.372 -1.031 20 0 CAADRP [NH3+][C@@H]1CCO[C@@H]1C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC001330603864 885212250 /nfs/dbraw/zinc/21/22/50/885212250.db2.gz XFNWPAOEFNRUJV-TUAOUCFPSA-N 2 0 268.361 -1.391 20 0 CAADRP C[C@]1(C(=O)NCC2([NH3+])CCOCC2)C[NH2+]CCO1 ZINC001330608254 885212388 /nfs/dbraw/zinc/21/23/88/885212388.db2.gz NIIQNUZZWAOODD-LLVKDONJSA-N 2 0 257.334 -1.011 20 0 CAADRP [NH3+]CC(=O)NCC(=O)N1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC001330619626 885215776 /nfs/dbraw/zinc/21/57/76/885215776.db2.gz QFIPGQZOAOOIIA-VHSXEESVSA-N 2 0 254.334 -1.338 20 0 CAADRP C[NH+](C)CCC(=O)N[C@H]1C[C@H](C[NH2+]CC(N)=O)C1 ZINC001330649655 885218427 /nfs/dbraw/zinc/21/84/27/885218427.db2.gz AMVHWJLKQPGNRZ-MGCOHNPYSA-N 2 0 256.350 -1.092 20 0 CAADRP C[C@H]([NH3+])CCNC(=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001330859137 885233288 /nfs/dbraw/zinc/23/32/88/885233288.db2.gz BLTUTGXUXJULPP-TUAOUCFPSA-N 2 0 298.387 -1.181 20 0 CAADRP C[NH+]1CCC(N2CC[C@H](NC(=O)C(N)=O)C2)CC1 ZINC001330853349 885234804 /nfs/dbraw/zinc/23/48/04/885234804.db2.gz KCHNHJHQPSNLHS-VIFPVBQESA-N 2 0 254.334 -1.244 20 0 CAADRP C[C@H]([NH3+])CCNC(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001330859134 885235355 /nfs/dbraw/zinc/23/53/55/885235355.db2.gz BLTUTGXUXJULPP-SDDRHHMPSA-N 2 0 298.387 -1.181 20 0 CAADRP C[C@H]([NH3+])CCNC(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001330859132 885235432 /nfs/dbraw/zinc/23/54/32/885235432.db2.gz BLTUTGXUXJULPP-QJPTWQEYSA-N 2 0 298.387 -1.181 20 0 CAADRP COCC[N@H+](C)CCNC(=O)C(=O)NCC[C@H](C)[NH3+] ZINC001330869357 885237371 /nfs/dbraw/zinc/23/73/71/885237371.db2.gz CWPBKVIYUODIFV-JTQLQIEISA-N 2 0 274.365 -1.466 20 0 CAADRP C[S@](=O)C1(C(=O)N2CC[NH2+]CC2)CC[NH2+]CC1 ZINC001331027300 885246311 /nfs/dbraw/zinc/24/63/11/885246311.db2.gz WEHFCLVAKWPIFZ-KRWDZBQOSA-N 2 0 259.375 -1.081 20 0 CAADRP CN1CCN(C(=O)C[N@H+](C)C[C@@H]2CNC(=O)C2)CC1 ZINC001331142510 885254826 /nfs/dbraw/zinc/25/48/26/885254826.db2.gz BSPYBWKIZMSDLB-NSHDSACASA-N 2 0 268.361 -1.172 20 0 CAADRP [NH3+]CC(=O)NCC(=O)N1CC[NH2+]CCC12CCC2 ZINC001331390857 885274830 /nfs/dbraw/zinc/27/48/30/885274830.db2.gz ALXNAKRXJZZHLI-UHFFFAOYSA-N 2 0 254.334 -1.194 20 0 CAADRP CN(CCOCC[NH3+])C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC001331567925 885287009 /nfs/dbraw/zinc/28/70/09/885287009.db2.gz FNTWPHBBSLUPIJ-NSHDSACASA-N 2 0 274.365 -1.018 20 0 CAADRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)N[C@@H]2CC[NH2+]C2)C1 ZINC001331605509 885295702 /nfs/dbraw/zinc/29/57/02/885295702.db2.gz NJTAJEIKXWCZKT-MXWKQRLJSA-N 2 0 268.361 -1.079 20 0 CAADRP C[NH2+]CCOCCNC(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC001331729975 885329113 /nfs/dbraw/zinc/32/91/13/885329113.db2.gz HCNWWRHWVBZJSO-UHFFFAOYSA-N 2 0 298.347 -1.324 20 0 CAADRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)NC[C@@H]2COCC[NH2+]2)C1 ZINC001331743873 885330620 /nfs/dbraw/zinc/33/06/20/885330620.db2.gz FHAGGEDMZBJJRY-UTUOFQBUSA-N 2 0 298.387 -1.453 20 0 CAADRP C[NH+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CC[NH2+]C2)C1 ZINC001331762329 885341707 /nfs/dbraw/zinc/34/17/07/885341707.db2.gz PBQIVLDZOAQTMO-WDEREUQCSA-N 2 0 268.361 -1.125 20 0 CAADRP C[NH+](C)C[C@H]1CCN(C(=O)C(=O)N[C@@H]2CC[NH2+]C2)C1 ZINC001331762327 885342036 /nfs/dbraw/zinc/34/20/36/885342036.db2.gz PBQIVLDZOAQTMO-GHMZBOCLSA-N 2 0 268.361 -1.125 20 0 CAADRP C[NH+]1CCN(C[C@H](O)C[NH2+]CCN2CC[C@H](O)C2)CC1 ZINC001331847996 885356126 /nfs/dbraw/zinc/35/61/26/885356126.db2.gz VNBMPDYKHMEMCU-UONOGXRCSA-N 2 0 286.420 -1.749 20 0 CAADRP CO[C@@H](C[NH3+])C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC001331969934 885369905 /nfs/dbraw/zinc/36/99/05/885369905.db2.gz SIDYEIYTQHWMKP-MNOVXSKESA-N 2 0 256.350 -1.534 20 0 CAADRP [NH3+][C@H]1C[C@H](CNS(=O)(=O)C[C@H]2C[NH2+]CCO2)C1 ZINC001331983588 885372415 /nfs/dbraw/zinc/37/24/15/885372415.db2.gz LMRFYKFSDFAQBL-OPRDCNLKSA-N 2 0 263.363 -1.369 20 0 CAADRP [NH3+][C@H]1C[C@H](CNS(=O)(=O)C[C@@H]2C[NH2+]CCO2)C1 ZINC001331983587 885373154 /nfs/dbraw/zinc/37/31/54/885373154.db2.gz LMRFYKFSDFAQBL-GUBZILKMSA-N 2 0 263.363 -1.369 20 0 CAADRP O=C(CN1C(=O)N[C@]2(CCC[NH2+]C2)C1=O)N1CC[NH2+]CC1 ZINC001332141173 885382339 /nfs/dbraw/zinc/38/23/39/885382339.db2.gz CEXIWRVMZXQVAK-ZDUSSCGKSA-N 2 0 295.343 -1.908 20 0 CAADRP [NH3+]CCOCC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC001332188298 885383926 /nfs/dbraw/zinc/38/39/26/885383926.db2.gz GDPJWVUBGXZHGZ-MXWKQRLJSA-N 2 0 298.343 -1.645 20 0 CAADRP [NH3+]CCC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC001332189662 885387030 /nfs/dbraw/zinc/38/70/30/885387030.db2.gz PORNRTXOWDPZQZ-BBBLOLIVSA-N 2 0 268.317 -1.271 20 0 CAADRP O=C(COC1CC[NH2+]CC1)NC[C@H]1C[NH2+]CCO1 ZINC001332279309 885398258 /nfs/dbraw/zinc/39/82/58/885398258.db2.gz MLACAWMDCLDFDF-LLVKDONJSA-N 2 0 257.334 -1.140 20 0 CAADRP CN(CC[NH+](C)C)C(=O)C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC001332338618 885401117 /nfs/dbraw/zinc/40/11/17/885401117.db2.gz CPAOFKDHXBYCES-MGCOHNPYSA-N 2 0 256.350 -1.140 20 0 CAADRP C[N@H+](C[C@H](O)C[NH3+])C[C@@H](O)COC[C@H]1CCCO1 ZINC001332334987 885401224 /nfs/dbraw/zinc/40/12/24/885401224.db2.gz QIDGBMIDSYUAAX-IJLUTSLNSA-N 2 0 262.350 -1.206 20 0 CAADRP C[N@H+](C[C@H](O)C[NH3+])C[C@H](O)COC[C@H]1CCCO1 ZINC001332334986 885401255 /nfs/dbraw/zinc/40/12/55/885401255.db2.gz QIDGBMIDSYUAAX-GRYCIOLGSA-N 2 0 262.350 -1.206 20 0 CAADRP C[NH+]1CCN(C[C@H](O)C[NH2+]CC2(CO)CC2)CC1 ZINC001332357970 885403520 /nfs/dbraw/zinc/40/35/20/885403520.db2.gz WDKJTGKQXLAKLG-GFCCVEGCSA-N 2 0 257.378 -1.043 20 0 CAADRP C[C@H]1CC[N@H+](CC(=O)N(C)C[C@@H](O)C[NH2+]CCO)C1 ZINC001332566305 885420985 /nfs/dbraw/zinc/42/09/85/885420985.db2.gz NROVOGVCMYEKNN-RYUDHWBXSA-N 2 0 273.377 -1.271 20 0 CAADRP C[C@H]([NH3+])CNC(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC001332671906 885432956 /nfs/dbraw/zinc/43/29/56/885432956.db2.gz FIIZYFXAFQVDPD-VIFPVBQESA-N 2 0 282.348 -1.153 20 0 CAADRP C[NH+](C)CC[C@H](N)C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC001332724254 885435790 /nfs/dbraw/zinc/43/57/90/885435790.db2.gz NAQTYMQBEONPTC-STQMWFEESA-N 2 0 283.420 -1.229 20 0 CAADRP C[NH+](C)CC[C@@H](N)C(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC001332724251 885437380 /nfs/dbraw/zinc/43/73/80/885437380.db2.gz NAQTYMQBEONPTC-CHWSQXEVSA-N 2 0 283.420 -1.229 20 0 CAADRP [NH3+]CCOCC[NH+]1CCC2(CC1)C[C@@H](O)CNC2=O ZINC001332814656 885439522 /nfs/dbraw/zinc/43/95/22/885439522.db2.gz AYMSDRAJUQXJGM-LLVKDONJSA-N 2 0 271.361 -1.075 20 0 CAADRP C[NH2+][C@@H](C)CCNS(=O)(=O)N1CC[NH2+]CC1 ZINC001332814648 885439731 /nfs/dbraw/zinc/43/97/31/885439731.db2.gz AVMAMLKOGAISGU-VIFPVBQESA-N 2 0 250.368 -1.276 20 0 CAADRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)N2CCO[C@H](C[NH3+])C2)C1 ZINC001332945810 885449489 /nfs/dbraw/zinc/44/94/89/885449489.db2.gz QHPIBGGGDCSYLZ-GRYCIOLGSA-N 2 0 298.387 -1.371 20 0 CAADRP C[C@H]([NH3+])CNC(=O)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC001332944065 885450125 /nfs/dbraw/zinc/45/01/25/885450125.db2.gz BTYLVDBTWJYNOG-LPEHRKFASA-N 2 0 256.350 -1.094 20 0 CAADRP O=C(NCCN1CC[NH2+]CC1)[C@H](F)[C@@H]1CC[NH2+]C1 ZINC001332958808 885451532 /nfs/dbraw/zinc/45/15/32/885451532.db2.gz NNDOJYOIMFJJEH-GHMZBOCLSA-N 2 0 258.341 -1.045 20 0 CAADRP [NH3+]CC1(NC(=O)C[C@H]2COCC[NH2+]2)CCOCC1 ZINC001332981303 885453708 /nfs/dbraw/zinc/45/37/08/885453708.db2.gz NLFLKYQJGWSFEL-JTQLQIEISA-N 2 0 257.334 -1.011 20 0 CAADRP COCC[C@H]([NH3+])C(=O)N(C)CCN1CC[NH2+]CC1 ZINC001333177074 885461024 /nfs/dbraw/zinc/46/10/24/885461024.db2.gz BAVIRBJVWHDKJO-NSHDSACASA-N 2 0 258.366 -1.286 20 0 CAADRP COC[C@@]1(C(=O)NC2CC[NH2+]CC2)C[NH2+]CCO1 ZINC001333306338 885472186 /nfs/dbraw/zinc/47/21/86/885472186.db2.gz BFGLVLHEBIHRMW-GFCCVEGCSA-N 2 0 257.334 -1.140 20 0 CAADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)NCCC(C)(C)[NH3+] ZINC001333378598 885475258 /nfs/dbraw/zinc/47/52/58/885475258.db2.gz MLCDLHKCONGCPZ-LLVKDONJSA-N 2 0 299.419 -1.408 20 0 CAADRP C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)NCC3C[NH2+]C3)CC[C@@H]21 ZINC001333423039 885477438 /nfs/dbraw/zinc/47/74/38/885477438.db2.gz OIRRTAOKNBZTAH-NEPJUHHUSA-N 2 0 280.372 -1.125 20 0 CAADRP C[NH+](C)CC(=O)NCCOCCNC(=O)C[NH+](C)C ZINC001333513020 885484862 /nfs/dbraw/zinc/48/48/62/885484862.db2.gz AHXSGTJAPXLMIS-UHFFFAOYSA-N 2 0 274.365 -1.641 20 0 CAADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)N[C@H]1CC[NH2+]C1 ZINC001333533023 885486968 /nfs/dbraw/zinc/48/69/68/885486968.db2.gz UQTCQMIAUNRJAC-QWRGUYRKSA-N 2 0 255.366 -1.107 20 0 CAADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)N[C@H]1CC[NH2+]C1 ZINC001333533024 885487039 /nfs/dbraw/zinc/48/70/39/885487039.db2.gz UQTCQMIAUNRJAC-WDEREUQCSA-N 2 0 255.366 -1.107 20 0 CAADRP C[NH2+]CCNC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC001333602398 885494114 /nfs/dbraw/zinc/49/41/14/885494114.db2.gz LKXLIKRCAVOJAZ-MXWKQRLJSA-N 2 0 297.359 -1.218 20 0 CAADRP [NH3+]C[C@@H]1OCC[C@@H]1C(=O)NCCN1CC[NH2+]CC1 ZINC001333623269 885495574 /nfs/dbraw/zinc/49/55/74/885495574.db2.gz YBGYROYECQSYPU-QWRGUYRKSA-N 2 0 256.350 -1.628 20 0 CAADRP CO[C@@H](C[NH3+])C(=O)NC[C@@H](C)N1CC[NH+](C)CC1 ZINC001333631011 885496281 /nfs/dbraw/zinc/49/62/81/885496281.db2.gz LZSPOCOWFLUVFP-MNOVXSKESA-N 2 0 258.366 -1.288 20 0 CAADRP CO[C@@H](C[NH3+])C(=O)NC[C@H](C)N1CC[NH+](C)CC1 ZINC001333631012 885497359 /nfs/dbraw/zinc/49/73/59/885497359.db2.gz LZSPOCOWFLUVFP-QWRGUYRKSA-N 2 0 258.366 -1.288 20 0 CAADRP C[NH+]1CCC(NC(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)CC1 ZINC001333883089 885511118 /nfs/dbraw/zinc/51/11/18/885511118.db2.gz GGTYQCVUSARSLV-QWRGUYRKSA-N 2 0 266.345 -1.231 20 0 CAADRP O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC001333942281 885512991 /nfs/dbraw/zinc/51/29/91/885512991.db2.gz DGOCOCOZJAKOTJ-SCVCMEIPSA-N 2 0 278.356 -1.088 20 0 CAADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NC[C@H]2C[C@@H]([NH3+])C2)C1 ZINC001333960382 885513374 /nfs/dbraw/zinc/51/33/74/885513374.db2.gz UWEBHHZZZMATNJ-GRYCIOLGSA-N 2 0 298.387 -1.323 20 0 CAADRP [NH3+][C@H]1C[C@H](CNC(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)C1 ZINC001334004874 885516020 /nfs/dbraw/zinc/51/60/20/885516020.db2.gz HNIJPGIBILRKRK-FIQHERPVSA-N 2 0 296.371 -1.883 20 0 CAADRP OCCN1CC[NH+](C[C@H]2CC3(C[NH2+]C3)CO2)CC1 ZINC001335191126 885589165 /nfs/dbraw/zinc/58/91/65/885589165.db2.gz ZKVZMWYKGYNLFF-GFCCVEGCSA-N 2 0 255.362 -1.025 20 0 CAADRP CCO[C@H](CNC(=O)C(=O)NCC1C[NH2+]C1)C[NH+](C)C ZINC001335204099 885593790 /nfs/dbraw/zinc/59/37/90/885593790.db2.gz FJWFPZXURDAYQI-LLVKDONJSA-N 2 0 286.376 -1.595 20 0 CAADRP CC[NH+]1CCC(NC(=O)C(=O)NC[C@H]2COCC[NH2+]2)CC1 ZINC001335217875 885594327 /nfs/dbraw/zinc/59/43/27/885594327.db2.gz TZPDUOICCWGBOG-LBPRGKRZSA-N 2 0 298.387 -1.309 20 0 CAADRP CCO[C@@H](CNC(=O)C(=O)N(CC)CC[NH3+])C[NH+](C)C ZINC001335235473 885595726 /nfs/dbraw/zinc/59/57/26/885595726.db2.gz CGLZWBFURIXEQB-NSHDSACASA-N 2 0 288.392 -1.124 20 0 CAADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC001335228889 885596251 /nfs/dbraw/zinc/59/62/51/885596251.db2.gz DQEUPHWNQOGCRR-QJPTWQEYSA-N 2 0 297.403 -1.785 20 0 CAADRP C[C@@]1(C(=O)NCCN2CC[NH2+]CC2)C[C@H](O)C[NH2+]1 ZINC001335306952 885610254 /nfs/dbraw/zinc/61/02/54/885610254.db2.gz ADFDFMMHWRLEQA-JQWIXIFHSA-N 2 0 256.350 -1.879 20 0 CAADRP O=C(NC[C@@H]1CCC[NH2+]1)N1CCNCC[NH2+]CC1 ZINC001335588677 885624054 /nfs/dbraw/zinc/62/40/54/885624054.db2.gz JFTALZHOZJYYAU-NSHDSACASA-N 2 0 255.366 -1.057 20 0 CAADRP CN1CC[C@H]1CNC(=O)C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC001335593164 885624158 /nfs/dbraw/zinc/62/41/58/885624158.db2.gz FOPZONRRYQHOSY-RYUDHWBXSA-N 2 0 297.403 -1.831 20 0 CAADRP O=C(NC[C@H]1CCC[NH2+]1)N1CCNCC[NH2+]CC1 ZINC001335588675 885625363 /nfs/dbraw/zinc/62/53/63/885625363.db2.gz JFTALZHOZJYYAU-LLVKDONJSA-N 2 0 255.366 -1.057 20 0 CAADRP [NH3+]C[C@H]1C[C@H](NC(=O)N2CCNCC[NH2+]CC2)C1 ZINC001335697627 885630662 /nfs/dbraw/zinc/63/06/62/885630662.db2.gz WTTYRVNEDBWLID-XYPYZODXSA-N 2 0 255.366 -1.072 20 0 CAADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)[C@@H]1[NH2+]C[C@@H]2C[C@@H]21 ZINC001335843448 885639905 /nfs/dbraw/zinc/63/99/05/885639905.db2.gz NHXIWIHXVPVTHL-WHOHXGKFSA-N 2 0 252.362 -1.044 20 0 CAADRP [NH3+]CCCOCCNC(=O)N1CCNCC[NH2+]CC1 ZINC001336152696 885648896 /nfs/dbraw/zinc/64/88/96/885648896.db2.gz ZQWBVQTUWVORNM-UHFFFAOYSA-N 2 0 273.381 -1.444 20 0 CAADRP C[C@@H]1C[NH2+]C[C@H]1NC(=O)NC[C@]1(O)CC[N@H+](C)C1 ZINC001336163281 885649910 /nfs/dbraw/zinc/64/99/10/885649910.db2.gz MWRJGZMNNDYDNQ-CKYFFXLPSA-N 2 0 256.350 -1.040 20 0 CAADRP CN(CCO)CC[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC001336153212 885650527 /nfs/dbraw/zinc/65/05/27/885650527.db2.gz WAJDCTVXRIMDAQ-CYBMUJFWSA-N 2 0 274.409 -1.892 20 0 CAADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]CCO[C@H]2CCOC2)CC1 ZINC001336307247 885655378 /nfs/dbraw/zinc/65/53/78/885655378.db2.gz HFCQEOVAAFJLGN-KBPBESRZSA-N 2 0 287.404 -1.010 20 0 CAADRP O[C@@H]1C[NH+](CCCC[N@@H+]2C[C@@H](O)[C@@H](O)C2)C[C@@H]1O ZINC001336384688 885660202 /nfs/dbraw/zinc/66/02/02/885660202.db2.gz SSJGKTMWPIODES-BKUVIOGVSA-N 2 0 260.334 -2.159 20 0 CAADRP C[C@H](NC(=O)C(=O)N[C@H]1C[C@H](C[NH3+])C1)[C@@H]1CN(C)CCO1 ZINC001336631427 885671991 /nfs/dbraw/zinc/67/19/91/885671991.db2.gz PRQYGGIUVJSSIG-BJDJZHNGSA-N 2 0 298.387 -1.325 20 0 CAADRP CN1CC[C@@H]([NH+]2CCC(NC(=O)COCC[NH3+])CC2)C1=O ZINC001336743124 885681893 /nfs/dbraw/zinc/68/18/93/885681893.db2.gz VIDYVFWMTGZZLR-GFCCVEGCSA-N 2 0 298.387 -1.227 20 0 CAADRP C[NH+]1CCN(C[C@H](O)C[NH2+]CC[C@@]2(O)CCOC2)CC1 ZINC001336799164 885685508 /nfs/dbraw/zinc/68/55/08/885685508.db2.gz KYPMYXDVGTXBJF-ZIAGYGMSSA-N 2 0 287.404 -1.274 20 0 CAADRP COCC[NH2+]CCNC(=O)N1CC[NH2+]C[C@@H]1COC ZINC001336919513 885688243 /nfs/dbraw/zinc/68/82/43/885688243.db2.gz VRVPNQPHBYTRSW-LLVKDONJSA-N 2 0 274.365 -1.148 20 0 CAADRP CC[NH+]1CCN(CCNC(=O)[C@H](C[NH3+])OC)CC1 ZINC001336976538 885692060 /nfs/dbraw/zinc/69/20/60/885692060.db2.gz AYCPHQLSEIGNMW-NSHDSACASA-N 2 0 258.366 -1.286 20 0 CAADRP [NH3+][C@H]1C[C@@H](C[N@@H+]2CCN3[C@@H](CNS3(=O)=O)C2)C1 ZINC001337838362 885725982 /nfs/dbraw/zinc/72/59/82/885725982.db2.gz OGAGWBDYPWVZPB-AEJSXWLSSA-N 2 0 260.363 -1.442 20 0 CAADRP [NH3+]C[C@H]1CN(C(=O)[C@H]2[NH2+]CC23CCOCC3)CCO1 ZINC001339906404 885784289 /nfs/dbraw/zinc/78/42/89/885784289.db2.gz AUUBWWFJWZMHNO-WDEREUQCSA-N 2 0 269.345 -1.059 20 0 CAADRP [NH3+]C[C@H]1CN(C(=O)[C@@H]2[NH2+]CC23CCOCC3)CCO1 ZINC001339906402 885784776 /nfs/dbraw/zinc/78/47/76/885784776.db2.gz AUUBWWFJWZMHNO-QWRGUYRKSA-N 2 0 269.345 -1.059 20 0 CAADRP C[C@@H]1C[N@@H+](CCCNC(=O)[C@H]([NH3+])CO)C[C@H](C)O1 ZINC001340155578 885793975 /nfs/dbraw/zinc/79/39/75/885793975.db2.gz RDLXTVVXXOAPHL-OUAUKWLOSA-N 2 0 259.350 -1.079 20 0 CAADRP O=C(N[C@@H]1CCC[NH2+]C1)[C@H]1CC(=O)N(C2C[NH2+]C2)C1 ZINC001340146141 885795000 /nfs/dbraw/zinc/79/50/00/885795000.db2.gz BRCIOCIOJNFMSZ-VHSXEESVSA-N 2 0 266.345 -1.325 20 0 CAADRP COC(=O)CC[C@@H]([NH3+])C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001340148027 885795625 /nfs/dbraw/zinc/79/56/25/885795625.db2.gz KZISYJXXSMIIIH-KXUCPTDWSA-N 2 0 255.318 -1.055 20 0 CAADRP C[C@H]1C[NH+](CCCNC(=O)[C@H]([NH3+])CO)C[C@H](C)O1 ZINC001340155576 885795703 /nfs/dbraw/zinc/79/57/03/885795703.db2.gz RDLXTVVXXOAPHL-GARJFASQSA-N 2 0 259.350 -1.079 20 0 CAADRP O=C(N[C@@H]1CCC[NH2+]C1)[C@@H]1CC(=O)N(C2C[NH2+]C2)C1 ZINC001340146140 885795896 /nfs/dbraw/zinc/79/58/96/885795896.db2.gz BRCIOCIOJNFMSZ-NXEZZACHSA-N 2 0 266.345 -1.325 20 0 CAADRP CC(C)[C@@H]([NH3+])C(=O)NCCC(=O)NCC1C[NH2+]C1 ZINC001340262810 885797310 /nfs/dbraw/zinc/79/73/10/885797310.db2.gz RZWFBQDHIKHMCO-LLVKDONJSA-N 2 0 256.350 -1.188 20 0 CAADRP CC[NH+]1CCN([C@H](C)CNC(=O)[C@H]([NH3+])CO)CC1 ZINC001340239640 885797731 /nfs/dbraw/zinc/79/77/31/885797731.db2.gz AUYXQPNAFMDXKG-GHMZBOCLSA-N 2 0 258.366 -1.552 20 0 CAADRP COCC1(CNC(=O)CNCC[NH3+])CC[NH2+]CC1 ZINC001340296412 885798855 /nfs/dbraw/zinc/79/88/55/885798855.db2.gz IVMQBDVSQHEIHO-UHFFFAOYSA-N 2 0 258.366 -1.333 20 0 CAADRP C[N@@H+]1CCC[C@H](N2CCN(C(=O)CNCC[NH3+])CC2)C1 ZINC001340249676 885799106 /nfs/dbraw/zinc/79/91/06/885799106.db2.gz QTYYYLFQQZLGEQ-ZDUSSCGKSA-N 2 0 283.420 -1.227 20 0 CAADRP [NH3+]C[C@H](NC(=O)[C@@H]1CC(=O)N(C2C[NH2+]C2)C1)C1CC1 ZINC001340487189 885801390 /nfs/dbraw/zinc/80/13/90/885801390.db2.gz XKNRAXOJZOMMKO-KOLCDFICSA-N 2 0 266.345 -1.340 20 0 CAADRP C[NH2+]C[C@H](O)[C@@H](C)C(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC001340482537 885801726 /nfs/dbraw/zinc/80/17/26/885801726.db2.gz COCQYSBCYQPXLY-MXWKQRLJSA-N 2 0 258.366 -1.696 20 0 CAADRP [NH3+]C[C@H](NC(=O)[C@H]1CC(=O)N(C2C[NH2+]C2)C1)C1CC1 ZINC001340487191 885802443 /nfs/dbraw/zinc/80/24/43/885802443.db2.gz XKNRAXOJZOMMKO-ONGXEEELSA-N 2 0 266.345 -1.340 20 0 CAADRP [NH3+]CCN1CCC[C@H](C(=O)N[C@H]2COC3(C[NH2+]C3)C2)C1=O ZINC001340617926 885805481 /nfs/dbraw/zinc/80/54/81/885805481.db2.gz ZMZXQMCMELSQKQ-GHMZBOCLSA-N 2 0 296.371 -1.569 20 0 CAADRP [NH3+]CCN1CCC[C@@H](C(=O)N[C@H]2COC3(C[NH2+]C3)C2)C1=O ZINC001340617928 885805998 /nfs/dbraw/zinc/80/59/98/885805998.db2.gz ZMZXQMCMELSQKQ-MNOVXSKESA-N 2 0 296.371 -1.569 20 0 CAADRP [NH3+]C[C@H]1CC(C(=O)N[C@H]2COC3(C[NH2+]C3)C2)=NO1 ZINC001340615911 885806008 /nfs/dbraw/zinc/80/60/08/885806008.db2.gz QFVHDDDJJCTYNI-HTQZYQBOSA-N 2 0 254.290 -1.663 20 0 CAADRP [NH3+]CC1(C(=O)N2CCOC3(C[NH2+]C3)C2)CC(O)C1 ZINC001340676857 885808782 /nfs/dbraw/zinc/80/87/82/885808782.db2.gz LUKMRRSKRCOTDN-UHFFFAOYSA-N 2 0 255.318 -1.713 20 0 CAADRP C[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]1CCCN(CC[NH3+])C1=O ZINC001340747810 885811697 /nfs/dbraw/zinc/81/16/97/885811697.db2.gz LWFAPDFNFZSZIB-GHMZBOCLSA-N 2 0 286.376 -1.778 20 0 CAADRP [NH3+]C[C@@H](O)CNC(=O)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC001340756815 885812053 /nfs/dbraw/zinc/81/20/53/885812053.db2.gz ZHWNJIKKXRBSJQ-HTRCEHHLSA-N 2 0 255.240 -1.036 20 0 CAADRP C[NH2+]C1CC(C(=O)N2NC(=O)C[C@@]23CC[NH2+]C3)C1 ZINC001340777344 885812632 /nfs/dbraw/zinc/81/26/32/885812632.db2.gz FUXUPKODEQAKNV-SHVIVCPWSA-N 2 0 252.318 -1.020 20 0 CAADRP CO[C@H](C[NH3+])CC(=O)N1CCC[C@@H]([NH2+]CCO)C1 ZINC001340731050 885812900 /nfs/dbraw/zinc/81/29/00/885812900.db2.gz XWNPQMSJTJWFPV-MNOVXSKESA-N 2 0 259.350 -1.077 20 0 CAADRP C[C@@H]([NH3+])CONC(=O)[C@@H]1CC(=O)N(C2C[NH2+]C2)C1 ZINC001340766719 885813440 /nfs/dbraw/zinc/81/34/40/885813440.db2.gz GNRXZJQUBSEJQO-HTQZYQBOSA-N 2 0 256.306 -1.798 20 0 CAADRP C[NH2+]C[C@@H](O)CN(C)C(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC001340863206 885815734 /nfs/dbraw/zinc/81/57/34/885815734.db2.gz NYXFWSVWNQZRGU-UMNHJUIQSA-N 2 0 257.334 -1.739 20 0 CAADRP O=C([C@H]1C[NH2+]CCO1)N1CCC[C@@H]([NH2+]CCO)C1 ZINC001340848053 885816152 /nfs/dbraw/zinc/81/61/52/885816152.db2.gz OJEHCCWELJYLQI-GHMZBOCLSA-N 2 0 257.334 -1.452 20 0 CAADRP [NH3+]CCNCC(=O)NCCCC[NH+]1CCOCC1 ZINC001340805922 885817282 /nfs/dbraw/zinc/81/72/82/885817282.db2.gz CBIPZFMYFHYJGY-UHFFFAOYSA-N 2 0 258.366 -1.237 20 0 CAADRP O=C([C@@H]1C[NH2+]CCO1)N1CCC[C@H]([NH2+]CCO)C1 ZINC001340848055 885817340 /nfs/dbraw/zinc/81/73/40/885817340.db2.gz OJEHCCWELJYLQI-QWRGUYRKSA-N 2 0 257.334 -1.452 20 0 CAADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)[C@@H]([NH3+])C(C)(C)O ZINC001341735050 885854631 /nfs/dbraw/zinc/85/46/31/885854631.db2.gz ZWEONAMNGHIOED-NXEZZACHSA-N 2 0 258.366 -1.553 20 0 CAADRP [NH3+]CCCCNC(=O)[C@H]1CC(=O)N(C2C[NH2+]C2)C1 ZINC001340904687 885819110 /nfs/dbraw/zinc/81/91/10/885819110.db2.gz AJARXMCANPUSIU-VIFPVBQESA-N 2 0 254.334 -1.338 20 0 CAADRP C[C@@H]1C[NH2+]C[C@H]1NC(=O)c1cn(CCC[NH3+])nn1 ZINC001340905511 885819581 /nfs/dbraw/zinc/81/95/81/885819581.db2.gz VTFSBSDFZMDPJD-RKDXNWHRSA-N 2 0 252.322 -1.035 20 0 CAADRP CC[NH+]1CCN(CCCNC(=O)CNCC[NH3+])CC1 ZINC001340893356 885819902 /nfs/dbraw/zinc/81/99/02/885819902.db2.gz IFPLTWLIZATWJZ-UHFFFAOYSA-N 2 0 271.409 -1.322 20 0 CAADRP C[C@H]([NH3+])CN(C)C(=O)[C@@H]1CC(=O)N(C2C[NH2+]C2)C1 ZINC001340866792 885820684 /nfs/dbraw/zinc/82/06/84/885820684.db2.gz LXXMZHFSHQPWIO-DTWKUNHWSA-N 2 0 254.334 -1.388 20 0 CAADRP CN1CC[NH2+]C[C@H]1C(=O)NCCN1CCC([NH3+])CC1 ZINC001341056924 885823162 /nfs/dbraw/zinc/82/31/62/885823162.db2.gz PLBAYXLZVRWDJG-LBPRGKRZSA-N 3 0 269.393 -1.571 20 0 CAADRP C[NH+](C)CCOCCNC(=O)[C@H]1CC(=O)N(C2C[NH2+]C2)C1 ZINC001340998323 885824898 /nfs/dbraw/zinc/82/48/98/885824898.db2.gz BJOAPQAQGSHXBZ-NSHDSACASA-N 2 0 298.387 -1.499 20 0 CAADRP COC(=O)CCN1CCN(C(=O)CNCC[NH3+])C[C@H]1C ZINC001341073027 885824964 /nfs/dbraw/zinc/82/49/64/885824964.db2.gz RGIXGIZHKWDZMV-LLVKDONJSA-N 2 0 286.376 -1.370 20 0 CAADRP [NH3+]C[C@@H]1OCC[C@@H]1C(=O)N1CCNCC[NH2+]CC1 ZINC001341098987 885827163 /nfs/dbraw/zinc/82/71/63/885827163.db2.gz CKRNGXBXHJIQHH-QWRGUYRKSA-N 2 0 256.350 -1.628 20 0 CAADRP [NH3+]CCN1CCC[C@@H](C(=O)NC[C@H]2C[NH2+]CCO2)C1=O ZINC001341098398 885827235 /nfs/dbraw/zinc/82/72/35/885827235.db2.gz SWAFKGNWJZHJIF-MNOVXSKESA-N 2 0 284.360 -1.712 20 0 CAADRP O=C(N1CCNCC[NH2+]CC1)[C@]12C[NH2+]C[C@H]1CCOC2 ZINC001341099834 885827280 /nfs/dbraw/zinc/82/72/80/885827280.db2.gz LTNFWTNZBXHPME-OCCSQVGLSA-N 2 0 282.388 -1.366 20 0 CAADRP O=C(C[C@H]1COCC[NH2+]1)N1CCNCC[NH2+]CC1 ZINC001341100284 885827386 /nfs/dbraw/zinc/82/73/86/885827386.db2.gz VBJHPDGRWGJECT-NSHDSACASA-N 2 0 256.350 -1.614 20 0 CAADRP [NH3+]CC1(C(=O)N2CCNCC[NH2+]CC2)CC(O)C1 ZINC001341099825 885827762 /nfs/dbraw/zinc/82/77/62/885827762.db2.gz LDHYZQNFPBQQGV-UHFFFAOYSA-N 2 0 256.350 -1.892 20 0 CAADRP O=C(CO[C@H]1CCC[NH2+]C1)N1CCNCC[NH2+]CC1 ZINC001341111024 885827806 /nfs/dbraw/zinc/82/78/06/885827806.db2.gz QPTTWCNRFXJACO-LBPRGKRZSA-N 2 0 270.377 -1.224 20 0 CAADRP CC(C)([NH3+])CNC(=O)[C@@H]1CC(=O)N(C2C[NH2+]C2)C1 ZINC001341241576 885830765 /nfs/dbraw/zinc/83/07/65/885830765.db2.gz MFLBHSKAJXKORB-MRVPVSSYSA-N 2 0 254.334 -1.340 20 0 CAADRP C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)NCCN1CC[NH2+]CC1 ZINC001341245442 885832263 /nfs/dbraw/zinc/83/22/63/885832263.db2.gz XNMLDOMMZSFJDZ-OLZOCXBDSA-N 2 0 281.404 -1.604 20 0 CAADRP COC1(C(=O)N2CCNCC[NH2+]CC2)CC[NH2+]CC1 ZINC001341222142 885832455 /nfs/dbraw/zinc/83/24/55/885832455.db2.gz NIYOHYKERWJXMX-UHFFFAOYSA-N 2 0 270.377 -1.224 20 0 CAADRP C[NH2+]CCCNC(=O)[C@]12C[NH2+]C[C@H]1CS(=O)(=O)C2 ZINC001341351403 885835872 /nfs/dbraw/zinc/83/58/72/885835872.db2.gz AXSMBMINKBXESF-ONGXEEELSA-N 2 0 275.374 -1.654 20 0 CAADRP C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)N[C@@H]1C[NH2+]C[C@@H]1O ZINC001341418844 885838078 /nfs/dbraw/zinc/83/80/78/885838078.db2.gz VMIJGOAWEYNKEL-ZNSHCXBVSA-N 2 0 254.334 -2.176 20 0 CAADRP COCC1(C(=O)N[C@@H]2C[NH2+]C[C@@H]2O)CC[NH2+]CC1 ZINC001341422677 885839081 /nfs/dbraw/zinc/83/90/81/885839081.db2.gz BQJDYWWOONWOKV-ZJUUUORDSA-N 2 0 257.334 -1.549 20 0 CAADRP COCC[C@H]1C[NH2+]CCN1C(=O)[C@H]1C[NH2+]CCO1 ZINC001341465856 885841441 /nfs/dbraw/zinc/84/14/41/885841441.db2.gz JTEGOURFQTUCSH-WDEREUQCSA-N 2 0 257.334 -1.188 20 0 CAADRP C[NH2+]CCOCCNC(=O)C[C@@]1(O)CCC[NH2+]C1 ZINC001341459032 885842459 /nfs/dbraw/zinc/84/24/59/885842459.db2.gz VVRUFUIGOVGJTE-LBPRGKRZSA-N 2 0 259.350 -1.157 20 0 CAADRP [NH3+][C@H]1C[C@@H](CNC(=O)[C@@H]2CC(=O)N(C3C[NH2+]C3)C2)C1 ZINC001341529618 885845990 /nfs/dbraw/zinc/84/59/90/885845990.db2.gz MFCCYUCIJZAKRK-BBBLOLIVSA-N 2 0 266.345 -1.340 20 0 CAADRP CC1(C)C[NH2+][C@@H]1C(=O)N1NC(=O)C[C@@]12CC[NH2+]C2 ZINC001341527011 885846265 /nfs/dbraw/zinc/84/62/65/885846265.db2.gz TXIHNSZSROZXCJ-BXKDBHETSA-N 2 0 252.318 -1.020 20 0 CAADRP CN(C)CC[NH+]1CCC(CNC(=O)CNCC[NH3+])CC1 ZINC001341570072 885846851 /nfs/dbraw/zinc/84/68/51/885846851.db2.gz VLAZLEGHWKQWSU-UHFFFAOYSA-N 2 0 285.436 -1.076 20 0 CAADRP C[C@@H](CNC(=O)[C@H]1C[NH2+]CCN1C)N1CC[NH+](C)CC1 ZINC001341625898 885850623 /nfs/dbraw/zinc/85/06/23/885850623.db2.gz DCERCEYKKMDAKG-QWHCGFSZSA-N 2 0 283.420 -1.358 20 0 CAADRP C[C@H](CNC(=O)[C@@H]1C[NH2+]CCN1C)N1CC[NH+](C)CC1 ZINC001341625897 885850963 /nfs/dbraw/zinc/85/09/63/885850963.db2.gz DCERCEYKKMDAKG-OLZOCXBDSA-N 2 0 283.420 -1.358 20 0 CAADRP C[C@@]1(C(=O)N2CCN(CCO)CC2)C[C@@H](O)C[NH2+]1 ZINC001341677134 885853210 /nfs/dbraw/zinc/85/32/10/885853210.db2.gz ZGHCQXRMMNQSFR-PWSUYJOCSA-N 2 0 257.334 -1.764 20 0 CAADRP COC(=O)C[C@H](C)N1CCN(C(=O)CNCC[NH3+])CC1 ZINC001341742710 885854274 /nfs/dbraw/zinc/85/42/74/885854274.db2.gz OBVDASNATPVTFY-NSHDSACASA-N 2 0 286.376 -1.370 20 0 CAADRP C[C@]1(C(=O)N2CCN(CCO)CC2)C[C@H](O)C[NH2+]1 ZINC001341677132 885854565 /nfs/dbraw/zinc/85/45/65/885854565.db2.gz ZGHCQXRMMNQSFR-CMPLNLGQSA-N 2 0 257.334 -1.764 20 0 CAADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)CNCC[NH3+] ZINC001341683716 885855145 /nfs/dbraw/zinc/85/51/45/885855145.db2.gz IPKUYNCYIMNYBR-GFCCVEGCSA-N 2 0 299.419 -1.406 20 0 CAADRP C[C@@]1(C(=O)N2CCN(CCO)CC2)C[C@H](O)C[NH2+]1 ZINC001341677133 885855205 /nfs/dbraw/zinc/85/52/05/885855205.db2.gz ZGHCQXRMMNQSFR-JQWIXIFHSA-N 2 0 257.334 -1.764 20 0 CAADRP C[C@H](CNC(=O)[C@H]1C[NH2+]CCN1C)C[NH+]1CCN(C)CC1 ZINC001341731905 885855580 /nfs/dbraw/zinc/85/55/80/885855580.db2.gz HGZMEIOQTVJMHT-ZIAGYGMSSA-N 2 0 297.447 -1.110 20 0 CAADRP CC1(C)CN(C(=O)CN2CCNCC2=O)C[C@@H]1[NH3+] ZINC001341727701 885855694 /nfs/dbraw/zinc/85/56/94/885855694.db2.gz QKMMLCRDJGQTII-VIFPVBQESA-N 2 0 254.334 -1.386 20 0 CAADRP C[C@]1(C(=O)NC[C@@H]2C[NH2+]CCCO2)C[C@@H](O)C[NH2+]1 ZINC001341799801 885857377 /nfs/dbraw/zinc/85/73/77/885857377.db2.gz WBIBQGNOTFKDIB-JFGNBEQYSA-N 2 0 257.334 -1.406 20 0 CAADRP C[C@]1(C(=O)N2CCNCC[NH2+]CC2)C[NH2+]CCO1 ZINC001341839039 885857425 /nfs/dbraw/zinc/85/74/25/885857425.db2.gz KFESRULXPWYCQO-GFCCVEGCSA-N 2 0 256.350 -1.614 20 0 CAADRP O=C(COC1CC[NH2+]CC1)N1CCNCC[NH2+]CC1 ZINC001341836802 885857580 /nfs/dbraw/zinc/85/75/80/885857580.db2.gz ACRVBQUDSXZGEO-UHFFFAOYSA-N 2 0 270.377 -1.224 20 0 CAADRP O=C([C@H]1[C@@H]2CC[NH2+]C[C@@H]21)N1CCNCC[NH2+]CC1 ZINC001341838179 885857726 /nfs/dbraw/zinc/85/77/26/885857726.db2.gz HTOFTLMMQHQLFH-WOPDTQHZSA-N 2 0 252.362 -1.137 20 0 CAADRP C[C@@]1(C(=O)N2CCNCC[NH2+]CC2)C[NH2+]CCO1 ZINC001341839041 885858397 /nfs/dbraw/zinc/85/83/97/885858397.db2.gz KFESRULXPWYCQO-LBPRGKRZSA-N 2 0 256.350 -1.614 20 0 CAADRP O=C([C@@H]1[C@@H]2CC[NH2+]C[C@@H]21)N1CCNCC[NH2+]CC1 ZINC001341838176 885858615 /nfs/dbraw/zinc/85/86/15/885858615.db2.gz HTOFTLMMQHQLFH-GRYCIOLGSA-N 2 0 252.362 -1.137 20 0 CAADRP O=C([C@H](F)[C@H]1CC[NH2+]C1)N1CCNCC[NH2+]CC1 ZINC001341839210 885858731 /nfs/dbraw/zinc/85/87/31/885858731.db2.gz METIEVHJLIDLNQ-WDEREUQCSA-N 2 0 258.341 -1.045 20 0 CAADRP C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC001341847108 885862087 /nfs/dbraw/zinc/86/20/87/885862087.db2.gz KAADGGASQMFALT-WOPDTQHZSA-N 2 0 268.361 -1.521 20 0 CAADRP [NH3+][C@H](CO)C(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC001341922443 885864335 /nfs/dbraw/zinc/86/43/35/885864335.db2.gz CAKPEBSEQYBLQS-OUAUKWLOSA-N 2 0 257.334 -1.636 20 0 CAADRP [NH3+][C@H](CO)C(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC001341922442 885864597 /nfs/dbraw/zinc/86/45/97/885864597.db2.gz CAKPEBSEQYBLQS-MXWKQRLJSA-N 2 0 257.334 -1.636 20 0 CAADRP C[C@H](NC(=O)COCC[NH3+])[C@H]1C[N@H+](C)CCN1C ZINC001342035736 885867304 /nfs/dbraw/zinc/86/73/04/885867304.db2.gz NWZBXGYDJHQZNT-WDEREUQCSA-N 2 0 258.366 -1.288 20 0 CAADRP C[NH2+]CC(=O)NC[C@@]1(CO)COC[C@@H]2CCC[N@@H+]21 ZINC001342043335 885869551 /nfs/dbraw/zinc/86/95/51/885869551.db2.gz IZZUDEIMWKEOJQ-CMPLNLGQSA-N 2 0 257.334 -1.452 20 0 CAADRP [NH3+]C[C@@H]1OCC[C@@H]1C(=O)N[C@H]1COC2(C[NH2+]C2)C1 ZINC001342125456 885871896 /nfs/dbraw/zinc/87/18/96/885871896.db2.gz ITWKVFZAZAJBON-UTLUCORTSA-N 2 0 255.318 -1.403 20 0 CAADRP O=C(NCC1(O)C[NH2+]C1)c1ccc2c(n1)C[NH2+]CC2 ZINC001342090147 885872897 /nfs/dbraw/zinc/87/28/97/885872897.db2.gz YPTYQUPYKMWYIM-UHFFFAOYSA-N 2 0 262.313 -1.209 20 0 CAADRP [NH3+]C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1COC2(C[NH2+]C2)C1 ZINC001342125442 885873364 /nfs/dbraw/zinc/87/33/64/885873364.db2.gz ITWKVFZAZAJBON-AEJSXWLSSA-N 2 0 255.318 -1.403 20 0 CAADRP CN(C(=O)[C@H]1C[NH2+]CCO1)C1(C[NH3+])CCOCC1 ZINC001342095792 885873449 /nfs/dbraw/zinc/87/34/49/885873449.db2.gz LCINGYDOKHSXDL-SNVBAGLBSA-N 2 0 257.334 -1.059 20 0 CAADRP C[C@@]1(C(=O)N[C@@H]2COC3(C[NH2+]C3)C2)C[NH2+]CCO1 ZINC001342124338 885873647 /nfs/dbraw/zinc/87/36/47/885873647.db2.gz BREOAZYJTCSCHL-ONGXEEELSA-N 2 0 255.318 -1.388 20 0 CAADRP C[NH2+]C[C@H](O)[C@@H](C)C(=O)N[C@@H]1COC2(C[NH2+]C2)C1 ZINC001342215738 885877000 /nfs/dbraw/zinc/87/70/00/885877000.db2.gz NQHDIVLNTXAXCI-UTLUCORTSA-N 2 0 257.334 -1.550 20 0 CAADRP C[NH2+]CCOCCN(C)C(=O)[C@]1(C)C[C@H](O)C[NH2+]1 ZINC001342222663 885880661 /nfs/dbraw/zinc/88/06/61/885880661.db2.gz YIYJRBFVSUKUIG-JQWIXIFHSA-N 2 0 259.350 -1.206 20 0 CAADRP C[NH2+]CCOCCNC(=O)[C@@H]1CCCN(CC[NH3+])C1=O ZINC001342219392 885880825 /nfs/dbraw/zinc/88/08/25/885880825.db2.gz JJSZGUSZPSNPFX-NSHDSACASA-N 2 0 286.376 -1.464 20 0 CAADRP O=C(N[C@H]1C[NH2+]CC2(CCOCC2)C1)C1(O)C[NH2+]C1 ZINC001342428030 885886725 /nfs/dbraw/zinc/88/67/25/885886725.db2.gz AXGCSHMHSZDOFT-SNVBAGLBSA-N 2 0 269.345 -1.404 20 0 CAADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@@H]1C[NH2+]C[C@H]1C ZINC001342416775 885887695 /nfs/dbraw/zinc/88/76/95/885887695.db2.gz QYHGMZRHCIIDRX-KKZNHRDASA-N 2 0 256.350 -1.190 20 0 CAADRP C[C@@H]1C[NH2+]C[C@H]1NC(=O)[C@H]1CC(=O)N(C2C[NH2+]C2)C1 ZINC001342416237 885887933 /nfs/dbraw/zinc/88/79/33/885887933.db2.gz ORKVLSCANKUWOY-WCABBAIRSA-N 2 0 266.345 -1.469 20 0 CAADRP COCC[NH2+]CC(=O)NCCN1CCC([NH3+])CC1 ZINC001342476269 885890232 /nfs/dbraw/zinc/89/02/32/885890232.db2.gz LQUDSXRSCDZVMP-UHFFFAOYSA-N 2 0 258.366 -1.238 20 0 CAADRP [NH3+]CCN1CCC[C@@H](C(=O)N2CCNCC[NH2+]CC2)C1=O ZINC001342624054 885892800 /nfs/dbraw/zinc/89/28/00/885892800.db2.gz VUYHVYSURCVGKN-GFCCVEGCSA-N 2 0 297.403 -1.795 20 0 CAADRP O=C(C[C@@]1(O)CCC[NH2+]C1)N1CCNCC[NH2+]CC1 ZINC001342622130 885893273 /nfs/dbraw/zinc/89/32/73/885893273.db2.gz LSQQFEJURBNXRG-ZDUSSCGKSA-N 2 0 270.377 -1.488 20 0 CAADRP C[C@H](NC(=O)CN1CC[NH2+]CC1)[C@H]1C[N@H+](C)CCN1C ZINC001342717615 885897818 /nfs/dbraw/zinc/89/78/18/885897818.db2.gz MQVKCUQOZQFYBI-QWHCGFSZSA-N 2 0 283.420 -1.358 20 0 CAADRP O=C(CNC(=O)[C@H]1CCC[NH2+]1)N[C@H]1C[NH2+]CC12CC2 ZINC001342866752 885899758 /nfs/dbraw/zinc/89/97/58/885899758.db2.gz XUYMYEKSLHYWAI-ZJUUUORDSA-N 2 0 266.345 -1.277 20 0 CAADRP O=C(CNC(=O)[C@H]1CCC[NH2+]1)N[C@@H]1C[NH2+]CC12CC2 ZINC001342866749 885899996 /nfs/dbraw/zinc/89/99/96/885899996.db2.gz XUYMYEKSLHYWAI-NXEZZACHSA-N 2 0 266.345 -1.277 20 0 CAADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@H]1C[NH2+]CC12CC2 ZINC001342865705 885900544 /nfs/dbraw/zinc/90/05/44/885900544.db2.gz KEALDBWLLOOWSD-ONGXEEELSA-N 2 0 268.361 -1.046 20 0 CAADRP [NH3+]C1(CNC(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC001342930930 885901579 /nfs/dbraw/zinc/90/15/79/885901579.db2.gz AVEGUVGEOFGWFK-VIFPVBQESA-N 2 0 254.334 -1.148 20 0 CAADRP [NH3+]C[C@H]1CCN(C(=O)[C@@H]2CC(=O)N(C3C[NH2+]C3)C2)C1 ZINC001343039513 885905775 /nfs/dbraw/zinc/90/57/75/885905775.db2.gz YXFCYOGFDXVXTH-NXEZZACHSA-N 2 0 266.345 -1.386 20 0 CAADRP C[NH+](C)C1(CNC(=O)C[C@@H](O)C[NH3+])CCOCC1 ZINC001343429595 885913761 /nfs/dbraw/zinc/91/37/61/885913761.db2.gz BYFNTALJLGZJFL-SNVBAGLBSA-N 2 0 259.350 -1.077 20 0 CAADRP [NH3+]CCNCC(=O)N1CCN(C[C@H]2CCCO2)CC1 ZINC001343353385 885913786 /nfs/dbraw/zinc/91/37/86/885913786.db2.gz DEXMTMFGYOETQO-GFCCVEGCSA-N 2 0 270.377 -1.142 20 0 CAADRP C[C@H](CNC(=O)C[C@H](O)C[NH3+])CN1CCOCC1 ZINC001343409447 885914885 /nfs/dbraw/zinc/91/48/85/885914885.db2.gz ODPYLINZISRYQS-MNOVXSKESA-N 2 0 259.350 -1.219 20 0 CAADRP C[C@@H](CNC(=O)C[C@@H](O)C[NH3+])CN1CCOCC1 ZINC001343409451 885915507 /nfs/dbraw/zinc/91/55/07/885915507.db2.gz ODPYLINZISRYQS-WDEREUQCSA-N 2 0 259.350 -1.219 20 0 CAADRP C[C@H](CC[NH3+])NC(=O)[C@@H]1CC(=O)N(C2C[NH2+]C2)C1 ZINC001343460097 885916406 /nfs/dbraw/zinc/91/64/06/885916406.db2.gz WBPLTSUKZZKDDA-RKDXNWHRSA-N 2 0 254.334 -1.340 20 0 CAADRP C[NH2+]CCN(C)C(=O)[C@H]1CCCN(CC[NH3+])C1=O ZINC001343459128 885918208 /nfs/dbraw/zinc/91/82/08/885918208.db2.gz OPHFMCHWVJYIEF-SNVBAGLBSA-N 2 0 256.350 -1.139 20 0 CAADRP [NH3+]CCN1CCC[C@H](C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)C1=O ZINC001343491905 885918386 /nfs/dbraw/zinc/91/83/86/885918386.db2.gz XLOKSGXGAMYZHW-TUAOUCFPSA-N 2 0 280.372 -1.139 20 0 CAADRP C[NH2+]C[C@H](O)[C@H](C)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC001343505152 885918486 /nfs/dbraw/zinc/91/84/86/885918486.db2.gz LKWPTKNDBQRSML-DCAQKATOSA-N 2 0 259.350 -1.303 20 0 CAADRP CN1CC[NH2+]C[C@@H]1C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC001343506468 885918677 /nfs/dbraw/zinc/91/86/77/885918677.db2.gz FHBCQNUUOHGPSP-CHWSQXEVSA-N 2 0 281.404 -1.604 20 0 CAADRP [NH3+][C@H]1C[C@@H](NC(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC001343711566 885922862 /nfs/dbraw/zinc/92/28/62/885922862.db2.gz NQJYPKTUMGTVFL-AEJSXWLSSA-N 2 0 254.334 -1.149 20 0 CAADRP C[C@H](CN1CCOCC1)N(C)C(=O)CNCC[NH3+] ZINC001343879214 885927236 /nfs/dbraw/zinc/92/72/36/885927236.db2.gz LGBZKTSAQIRMLC-LLVKDONJSA-N 2 0 258.366 -1.286 20 0 CAADRP C[C@@H](CN1CCOCC1)N(C)C(=O)CNCC[NH3+] ZINC001343879215 885927862 /nfs/dbraw/zinc/92/78/62/885927862.db2.gz LGBZKTSAQIRMLC-NSHDSACASA-N 2 0 258.366 -1.286 20 0 CAADRP CN(CCOCC[NH3+])C(=O)[C@H]1CC(=O)N(C2C[NH2+]C2)C1 ZINC001344357725 885940711 /nfs/dbraw/zinc/94/07/11/885940711.db2.gz QSTMKQFJYMKMAV-JTQLQIEISA-N 2 0 284.360 -1.760 20 0 CAADRP [NH3+]CCCOCCNC(=O)C[C@@]1(O)CCC[NH2+]C1 ZINC001344357198 885940726 /nfs/dbraw/zinc/94/07/26/885940726.db2.gz KWWGRBVGVQRSRF-LBPRGKRZSA-N 2 0 259.350 -1.027 20 0 CAADRP [NH3+]Cc1cc(C(=O)N2CC[NH2+]C[C@@H]2CO)ccn1 ZINC001344517259 885945136 /nfs/dbraw/zinc/94/51/36/885945136.db2.gz JZBRGJGHDVDTDY-LLVKDONJSA-N 2 0 250.302 -1.053 20 0 CAADRP COC[C@]1(C(=O)N2CCNCC[NH2+]CC2)CC[NH2+]C1 ZINC001344973296 885952558 /nfs/dbraw/zinc/95/25/58/885952558.db2.gz CIUXCQRXXPODMB-ZDUSSCGKSA-N 2 0 270.377 -1.366 20 0 CAADRP COC[C@@H]1C[NH2+]CCN1C(=O)[C@@H]1CCCN(CC[NH3+])C1=O ZINC001345646329 885964961 /nfs/dbraw/zinc/96/49/61/885964961.db2.gz LAMCOAHUXVOZEF-NWDGAFQWSA-N 2 0 298.387 -1.370 20 0 CAADRP C[NH+]1CCN(C[C@H](O)C[NH2+][C@H]2[C@@H]3COC[C@@H]32)CC1 ZINC001345639469 885965185 /nfs/dbraw/zinc/96/51/85/885965185.db2.gz UGRCXTLZKZWFBQ-NDBYEHHHSA-N 2 0 255.362 -1.171 20 0 CAADRP COC[C@H]1C[NH2+]CCN1C(=O)[C@@H]1CCCN(CC[NH3+])C1=O ZINC001345646331 885966183 /nfs/dbraw/zinc/96/61/83/885966183.db2.gz LAMCOAHUXVOZEF-VXGBXAGGSA-N 2 0 298.387 -1.370 20 0 CAADRP O=C(N1CCC(OC2C[NH2+]C2)CC1)C1(O)C[NH2+]C1 ZINC001345924193 885973223 /nfs/dbraw/zinc/97/32/23/885973223.db2.gz QQKGAOBEUZZDFJ-UHFFFAOYSA-N 2 0 255.318 -1.700 20 0 CAADRP C[NH+]1CCC(NC(=O)C(=O)NCC2([NH3+])CC2)CC1 ZINC001345899113 885974304 /nfs/dbraw/zinc/97/43/04/885974304.db2.gz JODGZOKEWTXTBJ-UHFFFAOYSA-N 2 0 254.334 -1.196 20 0 CAADRP C[NH2+][C@@H](C)CCNC(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC001346003793 885977400 /nfs/dbraw/zinc/97/74/00/885977400.db2.gz ZYWMIFVOSOXLCL-VHSXEESVSA-N 2 0 256.350 -1.031 20 0 CAADRP C[NH2+][C@H](C)CCNC(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC001346003791 885977710 /nfs/dbraw/zinc/97/77/10/885977710.db2.gz ZYWMIFVOSOXLCL-NXEZZACHSA-N 2 0 256.350 -1.031 20 0 CAADRP [NH3+][C@@H](CC(F)F)C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC001346003696 885977919 /nfs/dbraw/zinc/97/79/19/885977919.db2.gz YMSXWKJKQYNECV-ZETCQYMHSA-N 2 0 264.276 -1.483 20 0 CAADRP CCO[C@H](CNC(=O)C(=O)N(C)CCC[NH3+])C[NH+](C)C ZINC001346019508 885980711 /nfs/dbraw/zinc/98/07/11/885980711.db2.gz BESAODOWWXSBFR-LLVKDONJSA-N 2 0 288.392 -1.124 20 0 CAADRP C(C[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1)N1CC[NH2+]CC1 ZINC001346029014 885981825 /nfs/dbraw/zinc/98/18/25/885981825.db2.gz RRESWXWFZNANMB-CQSZACIVSA-N 3 0 267.421 -1.129 20 0 CAADRP [NH3+]CC(=O)NCC(=O)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC001346028400 885982675 /nfs/dbraw/zinc/98/26/75/885982675.db2.gz GXPMVPJHQRBMGT-GHMZBOCLSA-N 2 0 268.361 -1.091 20 0 CAADRP NC(=O)CN1CCC[C@@H](NC(=O)[C@H]2C[C@@H]([NH3+])C2)C1 ZINC001346103233 885986301 /nfs/dbraw/zinc/98/63/01/885986301.db2.gz GXDXSZKNTIQYSY-KXUCPTDWSA-N 2 0 254.334 -1.210 20 0 CAADRP [NH3+]CC(=O)NCC(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC001346320017 886000335 /nfs/dbraw/zinc/00/03/35/886000335.db2.gz MFAGPBXVAXBXRL-CABZTGNLSA-N 2 0 254.334 -1.351 20 0 CAADRP C[C@@H](C[NH3+])NC(=O)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC001346513669 886007748 /nfs/dbraw/zinc/00/77/48/886007748.db2.gz DNFGWRSBFRHKFD-LPEHRKFASA-N 2 0 256.350 -1.094 20 0 CAADRP O=C(NC[C@@H]1C[NH2+]CCO1)N1CCNCC[NH2+]CC1 ZINC001346502027 886007994 /nfs/dbraw/zinc/00/79/94/886007994.db2.gz SBBGAHDXXCJSDJ-NSHDSACASA-N 2 0 271.365 -1.821 20 0 CAADRP C[C@H](C[NH3+])NC(=O)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC001347074861 886027411 /nfs/dbraw/zinc/02/74/11/886027411.db2.gz YIGVSVDKIPHCKE-ZYHUDNBSSA-N 2 0 298.387 -1.181 20 0 CAADRP [NH3+]C[C@@H]1CC(C(=O)N2CCCO[C@@H](C[NH3+])C2)=NO1 ZINC001347156697 886029036 /nfs/dbraw/zinc/02/90/36/886029036.db2.gz BGKFDINVWJIARV-IUCAKERBSA-N 2 0 256.306 -1.334 20 0 CAADRP CN1CCN(C(=O)c2cn(CC[NH3+])nn2)[C@H](C[NH3+])C1 ZINC001347150544 886028962 /nfs/dbraw/zinc/02/89/62/886028962.db2.gz ZHXXGBIHYKXRJK-SECBINFHSA-N 2 0 267.337 -2.048 20 0 CAADRP [NH3+]C[C@@H]1CC(C(=O)N2CCCO[C@H](C[NH3+])C2)=NO1 ZINC001347156696 886029365 /nfs/dbraw/zinc/02/93/65/886029365.db2.gz BGKFDINVWJIARV-DTWKUNHWSA-N 2 0 256.306 -1.334 20 0 CAADRP C[NH2+]CCOCCNC(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC001348308866 886067736 /nfs/dbraw/zinc/06/77/36/886067736.db2.gz ZNDAOXSZFJJWHG-NSHDSACASA-N 2 0 274.365 -1.018 20 0 CAADRP CN(CCOCC[NH3+])C(=O)C(=O)NC1CC[NH+](C)CC1 ZINC001348309752 886068259 /nfs/dbraw/zinc/06/82/59/886068259.db2.gz WGJIOZSCWUBUHF-UHFFFAOYSA-N 2 0 286.376 -1.370 20 0 CAADRP C[NH2+][C@@H](C)CCNS(=O)(=O)C[C@H]1C[NH2+]CCO1 ZINC001348563498 886093247 /nfs/dbraw/zinc/09/32/47/886093247.db2.gz RPYPKCWPOUUZPC-VHSXEESVSA-N 2 0 265.379 -1.108 20 0 CAADRP C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)NC[C@@H]1C[NH+](C)CCN1C ZINC001348833185 886102644 /nfs/dbraw/zinc/10/26/44/886102644.db2.gz YPNDEAVEZIXOPI-MGPQQGTHSA-N 2 0 295.431 -1.263 20 0 CAADRP C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)NC[C@H]1C[NH+](C)CCN1C ZINC001348833188 886103030 /nfs/dbraw/zinc/10/30/30/886103030.db2.gz YPNDEAVEZIXOPI-RDBSUJKOSA-N 2 0 295.431 -1.263 20 0 CAADRP C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)NC[C@H]1C[NH+](C)CCN1C ZINC001348833058 886103495 /nfs/dbraw/zinc/10/34/95/886103495.db2.gz YPNDEAVEZIXOPI-HZSPNIEDSA-N 2 0 295.431 -1.263 20 0 CAADRP CC[S@](=O)CC[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC001348957683 886109997 /nfs/dbraw/zinc/10/99/97/886109997.db2.gz LGYNPZOZQKDJMA-XIKOKIGWSA-N 2 0 277.434 -1.047 20 0 CAADRP CN(C)c1ncc(CNC(=O)CNC(=O)C[NH3+])n1C ZINC001349107541 886112655 /nfs/dbraw/zinc/11/26/55/886112655.db2.gz FENLZRSWVQRXSU-UHFFFAOYSA-N 2 0 268.321 -1.823 20 0 CAADRP CC[NH+]1CCN(CCNC(=O)COCC[NH3+])CC1 ZINC001349132217 886115771 /nfs/dbraw/zinc/11/57/71/886115771.db2.gz WPVJLRVVMMZHMU-UHFFFAOYSA-N 2 0 258.366 -1.285 20 0 CAADRP O=C(CNC(=O)[C@H]1CCC[NH2+]1)NC1CC[NH2+]CC1 ZINC001349138140 886115996 /nfs/dbraw/zinc/11/59/96/886115996.db2.gz NCCSCHUIJRQUTH-SNVBAGLBSA-N 2 0 254.334 -1.277 20 0 CAADRP COC(=O)C[C@H]([NH3+])C(=O)N1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC001349155942 886116192 /nfs/dbraw/zinc/11/61/92/886116192.db2.gz MZOOJEUVEDPOPT-VGMNWLOBSA-N 2 0 259.306 -1.549 20 0 CAADRP [NH3+]CCOCC(=O)Nc1nc(N2CC[NH2+]CC2)n[nH]1 ZINC001349155158 886116512 /nfs/dbraw/zinc/11/65/12/886116512.db2.gz CPZYSYCSPJHMAV-UHFFFAOYSA-N 2 0 269.309 -1.872 20 0 CAADRP O=C(CCNC(=O)[C@H]1CCC[NH2+]1)NCC1C[NH2+]C1 ZINC001349156033 886116634 /nfs/dbraw/zinc/11/66/34/886116634.db2.gz OTMVCRVZTUFNKA-SNVBAGLBSA-N 2 0 254.334 -1.420 20 0 CAADRP CN1CCN(C(=O)CNC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001349254472 886119729 /nfs/dbraw/zinc/11/97/29/886119729.db2.gz FJLMLGPVZILEAZ-LLVKDONJSA-N 2 0 268.361 -1.172 20 0 CAADRP [NH3+]CC(=O)NCC(=O)NCCCN1CC[NH2+]CC1 ZINC001349371628 886126156 /nfs/dbraw/zinc/12/61/56/886126156.db2.gz JTVUDLNZGCKSAV-UHFFFAOYSA-N 2 0 257.338 -2.527 20 0 CAADRP Cn1ncc(C[NH3+])c1C(=O)NCCCN1CC[NH2+]CC1 ZINC001349584890 886137495 /nfs/dbraw/zinc/13/74/95/886137495.db2.gz HGCPCYGFIREENG-UHFFFAOYSA-N 2 0 280.376 -1.096 20 0 CAADRP C[NH+](C)CC[C@H](N)C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC001349656093 886142005 /nfs/dbraw/zinc/14/20/05/886142005.db2.gz LBPLVSVVLFTNPE-OLZOCXBDSA-N 2 0 283.420 -1.229 20 0 CAADRP COCC[N@H+](C)CCNC(=O)C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC001350019729 886157115 /nfs/dbraw/zinc/15/71/15/886157115.db2.gz NKUUTSXTHPCNKC-XYPYZODXSA-N 2 0 286.376 -1.466 20 0 CAADRP [NH3+][C@H]1C[C@@H](CNC(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)C1 ZINC001350057599 886157319 /nfs/dbraw/zinc/15/73/19/886157319.db2.gz HNIJPGIBILRKRK-WHOHXGKFSA-N 2 0 296.371 -1.883 20 0 CAADRP CS(=O)(=O)NCCN1CC[NH2+]CC[NH2+]CC1 ZINC001350911245 886189256 /nfs/dbraw/zinc/18/92/56/886189256.db2.gz XLXRKPWJNYVMEM-UHFFFAOYSA-N 2 0 250.368 -1.970 20 0 CAADRP C[NH2+]C[C@H](C)NC(=O)C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC001350330993 886163942 /nfs/dbraw/zinc/16/39/42/886163942.db2.gz CDDKNUYUEDNXAA-QWRGUYRKSA-N 2 0 285.392 -1.928 20 0 CAADRP C[NH+]1CCC(NC(=O)C(=O)N[C@H]2CC[NH2+]C2)CC1 ZINC001350331354 886164834 /nfs/dbraw/zinc/16/48/34/886164834.db2.gz HKPNYQXMMAKKAW-JTQLQIEISA-N 2 0 254.334 -1.325 20 0 CAADRP [NH3+]C[C@H]1CC(C(=O)NC[C@@H]2C[NH2+]CCCO2)=NO1 ZINC001350409382 886169865 /nfs/dbraw/zinc/16/98/65/886169865.db2.gz GZKCFWASTCTUQA-BDAKNGLRSA-N 2 0 256.306 -1.415 20 0 CAADRP CN(CCN1CC[NH2+]CC1)C(=O)C1=NO[C@H](C[NH3+])C1 ZINC001350398989 886171514 /nfs/dbraw/zinc/17/15/14/886171514.db2.gz RSMFTANIBRMGPG-JTQLQIEISA-N 2 0 269.349 -1.546 20 0 CAADRP C[C@H](CNC(=O)C1(O)C[NH2+]C1)N1CC[NH+](C)CC1 ZINC001350405023 886171341 /nfs/dbraw/zinc/17/13/41/886171341.db2.gz HDPSTRQXVSTVKI-SNVBAGLBSA-N 2 0 256.350 -1.927 20 0 CAADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC001351552902 886211737 /nfs/dbraw/zinc/21/17/37/886211737.db2.gz RFNNLPOICJVOAY-GHMZBOCLSA-N 2 0 283.376 -2.174 20 0 CAADRP C[NH+](C)CCn1cc(NC(=O)C(=O)N[C@@H]2CC[NH2+]C2)cn1 ZINC001351540069 886212966 /nfs/dbraw/zinc/21/29/66/886212966.db2.gz UUAOSZPAYFKZIT-SNVBAGLBSA-N 2 0 294.359 -1.139 20 0 CAADRP C[NH2+]C[C@H](C)CNS(=O)(=O)C[C@@H]1C[NH2+]CCO1 ZINC001351798615 886226424 /nfs/dbraw/zinc/22/64/24/886226424.db2.gz AMGXJGBPVNIQSY-UWVGGRQHSA-N 2 0 265.379 -1.250 20 0 CAADRP [NH3+][C@H]1C[C@@H](CNC(=O)CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC001352056182 886237129 /nfs/dbraw/zinc/23/71/29/886237129.db2.gz WKZCEFOOHSZQKI-KXUCPTDWSA-N 2 0 254.334 -1.292 20 0 CAADRP CN(CCN1CC[NH2+]CC1)C(=O)[C@@H]1OCC[C@@H]1[NH3+] ZINC001352826201 886248113 /nfs/dbraw/zinc/24/81/13/886248113.db2.gz YDJNZHQWGDWBQW-WDEREUQCSA-N 2 0 256.350 -1.534 20 0 CAADRP O[C@@H]1CC[NH+](C/C=C/C[N@H+]2CC[C@@H](O)[C@@H](O)C2)C[C@@H]1O ZINC001352925481 886251438 /nfs/dbraw/zinc/25/14/38/886251438.db2.gz MRDIWEDKHWXNEK-LLKIENLASA-N 2 0 286.372 -1.602 20 0 CAADRP C[NH2+]C[C@H](C)CNC(=O)[C@@H]1CC(=O)N(C2C[NH2+]C2)C1 ZINC001353003743 886254277 /nfs/dbraw/zinc/25/42/77/886254277.db2.gz GNYYIYATOSQWME-VHSXEESVSA-N 2 0 268.361 -1.222 20 0 CAADRP C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC001353005278 886254356 /nfs/dbraw/zinc/25/43/56/886254356.db2.gz QRPLKERWUSLSCR-FRRDWIJNSA-N 2 0 281.404 -1.524 20 0 CAADRP C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC001353005280 886254737 /nfs/dbraw/zinc/25/47/37/886254737.db2.gz QRPLKERWUSLSCR-JHJVBQTASA-N 2 0 281.404 -1.524 20 0 CAADRP C[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CC(=O)N(C2C[NH2+]C2)C1 ZINC001353003739 886254793 /nfs/dbraw/zinc/25/47/93/886254793.db2.gz GNYYIYATOSQWME-NXEZZACHSA-N 2 0 268.361 -1.222 20 0 CAADRP CC[NH2+]CCCNC(=O)[C@H]1CC(=O)N(C2C[NH2+]C2)C1 ZINC001352987590 886255034 /nfs/dbraw/zinc/25/50/34/886255034.db2.gz IOKFSTOVOOXVMR-JTQLQIEISA-N 2 0 268.361 -1.078 20 0 CAADRP CN(C(=O)[C@@H]1CC(=O)N(C2C[NH2+]C2)C1)[C@H]1CC[NH2+]C1 ZINC001353004654 886256800 /nfs/dbraw/zinc/25/68/00/886256800.db2.gz LJLOQDYVNLEKHS-ZJUUUORDSA-N 2 0 266.345 -1.373 20 0 CAADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]CCN2CCOCC2)CC1 ZINC001353265722 886271022 /nfs/dbraw/zinc/27/10/22/886271022.db2.gz AUYAGLWDJLICDI-AWEZNQCLSA-N 2 0 286.420 -1.484 20 0 CAADRP C[C@H](CNC(=O)[C@@H]1CC(=O)N(C2C[NH2+]C2)C1)[NH+](C)C ZINC001353508451 886279625 /nfs/dbraw/zinc/27/96/25/886279625.db2.gz KEXOCNRBGWYNSX-NXEZZACHSA-N 2 0 268.361 -1.127 20 0 CAADRP COCC[N@H+](C)CCNC(=O)[C@]1(C)C[C@H](O)C[NH2+]1 ZINC001353526855 886280125 /nfs/dbraw/zinc/28/01/25/886280125.db2.gz PPWSLUIDXGLMMQ-JQWIXIFHSA-N 2 0 259.350 -1.206 20 0 CAADRP [NH3+]CCN1CCC[C@@H](C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)C1=O ZINC001353656178 886282435 /nfs/dbraw/zinc/28/24/35/886282435.db2.gz VHNZLNSZKVDJJF-UKKRHICBSA-N 2 0 266.345 -1.482 20 0 CAADRP C[C@@H](CNC(=O)[C@H]1CC(=O)N(C2C[NH2+]C2)C1)[NH+](C)C ZINC001353508452 886281661 /nfs/dbraw/zinc/28/16/61/886281661.db2.gz KEXOCNRBGWYNSX-UWVGGRQHSA-N 2 0 268.361 -1.127 20 0 CAADRP CN(CCCN1CC[NH+](C)CC1)C(=O)CNCC[NH3+] ZINC001353700040 886282675 /nfs/dbraw/zinc/28/26/75/886282675.db2.gz NPFGYXICCNYMAK-UHFFFAOYSA-N 2 0 271.409 -1.369 20 0 CAADRP C[C@@H](C[NH3+])CNC(=O)[C@@H]1CC(=O)N(C2C[NH2+]C2)C1 ZINC001353590858 886285177 /nfs/dbraw/zinc/28/51/77/886285177.db2.gz ABCCZMUOXFYLOO-DTWKUNHWSA-N 2 0 254.334 -1.482 20 0 CAADRP C[C@H](C[NH3+])CNC(=O)[C@@H]1CC(=O)N(C2C[NH2+]C2)C1 ZINC001353590860 886285587 /nfs/dbraw/zinc/28/55/87/886285587.db2.gz ABCCZMUOXFYLOO-RKDXNWHRSA-N 2 0 254.334 -1.482 20 0 CAADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)[C@@H]1C[NH2+]CCN1C ZINC001353591817 886286171 /nfs/dbraw/zinc/28/61/71/886286171.db2.gz VZTDSMWKLFETDD-OLZOCXBDSA-N 2 0 283.420 -1.358 20 0 CAADRP CN(Cc1cnnn1[C@H]1CCC[NH2+]C1)C[C@@H](O)C[NH3+] ZINC001353943124 886293326 /nfs/dbraw/zinc/29/33/26/886293326.db2.gz LSRHIWRZROERGO-JQWIXIFHSA-N 2 0 268.365 -1.046 20 0 CAADRP C[C@H]([NH3+])CONC(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC001354063336 886298691 /nfs/dbraw/zinc/29/86/91/886298691.db2.gz PUYJETWDMYIDIC-DTWKUNHWSA-N 2 0 258.322 -1.360 20 0 CAADRP COCCOC[C@@H](O)CN1CC[NH2+]CC[NH2+]CC1 ZINC001354183627 886300699 /nfs/dbraw/zinc/30/06/99/886300699.db2.gz CQMSSSILOGFYCR-LBPRGKRZSA-N 2 0 261.366 -1.495 20 0 CAADRP O[C@@H](Cn1cccn1)CN1CC[NH2+]CC[NH2+]CC1 ZINC001354183171 886302514 /nfs/dbraw/zinc/30/25/14/886302514.db2.gz AUISQTZNKLDWDU-GFCCVEGCSA-N 2 0 253.350 -1.261 20 0 CAADRP Cn1c(CN2CC[NH2+]CC[NH2+]CC2)cc(=O)n(C)c1=O ZINC001354184701 886303341 /nfs/dbraw/zinc/30/33/41/886303341.db2.gz LJWIJQMCHBMPJZ-UHFFFAOYSA-N 2 0 281.360 -1.921 20 0 CAADRP COC[C@]1(C(=O)N[C@@H]2C[NH2+]C[C@@H]2O)C[NH2+]CCO1 ZINC001354343321 886310683 /nfs/dbraw/zinc/31/06/83/886310683.db2.gz NCUOSMRHNGTCMP-YWVKMMECSA-N 2 0 259.306 -2.560 20 0 CAADRP O=C(N[C@H]1C[NH2+]C[C@H]1O)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC001354344272 886311196 /nfs/dbraw/zinc/31/11/96/886311196.db2.gz VQXIUDOYQNNTMY-LKEWCRSYSA-N 2 0 267.251 -1.023 20 0 CAADRP C[NH2+]C[C@H](O)CN(C)C(=O)C[C@@]1(O)CCC[NH2+]C1 ZINC001354463049 886315189 /nfs/dbraw/zinc/31/51/89/886315189.db2.gz WGBFGGJZLXJFTH-JQWIXIFHSA-N 2 0 259.350 -1.470 20 0 CAADRP [NH3+]CCNCC(=O)Nc1cc(N2CC[NH2+]CC2)ccn1 ZINC001354488696 886315543 /nfs/dbraw/zinc/31/55/43/886315543.db2.gz XGLKBUQRVCLVFO-UHFFFAOYSA-N 2 0 278.360 -1.022 20 0 CAADRP O=C(COC1CC[NH2+]CC1)N1CC[NH2+]C[C@H]1CO ZINC001354594843 886319402 /nfs/dbraw/zinc/31/94/02/886319402.db2.gz UIVKMCGDVDMJOC-JTQLQIEISA-N 2 0 257.334 -1.452 20 0 CAADRP O=C(c1[nH]nc2c1C[NH2+]CC2)N1CC[NH2+]C[C@H]1CO ZINC001354595832 886319662 /nfs/dbraw/zinc/31/96/62/886319662.db2.gz ZYALNMDOWBPVII-QMMMGPOBSA-N 2 0 265.317 -1.538 20 0 CAADRP CC(C)[C@H]([NH3+])C(=O)NCCC(=O)N1CCNCC[NH2+]CC1 ZINC001355016823 886330261 /nfs/dbraw/zinc/33/02/61/886330261.db2.gz VMMKMANTXJWTNX-ZDUSSCGKSA-N 2 0 299.419 -1.503 20 0 CAADRP CN1CCN(C(=O)[C@H]2CCCN(CC[NH3+])C2=O)[C@H](CO)C1 ZINC001356251618 886360515 /nfs/dbraw/zinc/36/05/15/886360515.db2.gz BXHBOVFLIKXHRI-RYUDHWBXSA-N 2 0 298.387 -1.681 20 0 CAADRP CN(CCN1CC[NH2+]CC1)C(=O)[C@@H]([NH3+])C(C)(C)O ZINC001356498516 886370196 /nfs/dbraw/zinc/37/01/96/886370196.db2.gz GSWCKEUQEVQSPR-SNVBAGLBSA-N 2 0 258.366 -1.552 20 0 CAADRP C[NH+]1CCN(C[C@@H](O)C[NH2+][C@H](CO)CCF)CC1 ZINC001356595679 886369526 /nfs/dbraw/zinc/36/95/26/886369526.db2.gz KXQYIROSYQUCCE-RYUDHWBXSA-N 2 0 263.357 -1.095 20 0 CAADRP C[NH+]1CCN(CC[NH2+]C[C@@H](O)C[C@]2(O)CCOC2)CC1 ZINC001356543993 886370483 /nfs/dbraw/zinc/37/04/83/886370483.db2.gz CBWBKGHXOJZHHC-UONOGXRCSA-N 2 0 287.404 -1.274 20 0 CAADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)[C@H]([NH3+])CO)C1 ZINC001357336828 886400822 /nfs/dbraw/zinc/40/08/22/886400822.db2.gz FGIIIJFNXHFHIS-GHMZBOCLSA-N 2 0 259.350 -1.221 20 0 CAADRP C[NH+](C)CCn1ccc(NC(=O)CNCC[NH3+])n1 ZINC001357384848 886402243 /nfs/dbraw/zinc/40/22/43/886402243.db2.gz POPRCLOTNWWMMB-UHFFFAOYSA-N 2 0 254.338 -1.069 20 0 CAADRP COCC[N@H+](C)CCNC(=O)C1(C[NH3+])CC(O)C1 ZINC001357391956 886403570 /nfs/dbraw/zinc/40/35/70/886403570.db2.gz PJPQPUIDZQUSDR-UHFFFAOYSA-N 2 0 259.350 -1.219 20 0 CAADRP C[NH2+]CCOCCNC(=O)N1CC[NH2+]C[C@@H]1COC ZINC001357517103 886408967 /nfs/dbraw/zinc/40/89/67/886408967.db2.gz GJHPQWZHACVTFG-LLVKDONJSA-N 2 0 274.365 -1.148 20 0 CAADRP O=C(NCC1=CC[NH2+]CC1)[C@]12C[NH2+]C[C@H]1CS(=O)(=O)C2 ZINC001357452903 886409408 /nfs/dbraw/zinc/40/94/08/886409408.db2.gz IBUDFRSKCSEPAH-AAEUAGOBSA-N 2 0 299.396 -1.344 20 0 CAADRP O=C(NC[C@H]1C[NH2+]CCCO1)N1CCNCC[NH2+]CC1 ZINC001357514900 886409962 /nfs/dbraw/zinc/40/99/62/886409962.db2.gz KMDGSJVAFXZXSL-GFCCVEGCSA-N 2 0 285.392 -1.431 20 0 CAADRP [NH3+]CCCn1ccc(C(=O)NC[C@@H]2C[NH2+]CCO2)n1 ZINC001357618459 886412813 /nfs/dbraw/zinc/41/28/13/886412813.db2.gz HEEMXVHKMBGESV-JTQLQIEISA-N 2 0 267.333 -1.050 20 0 CAADRP COCCOCC[N@H+](C)CCC(=O)N[C@@H]1C[NH2+]C[C@@H]1O ZINC001357888806 886414155 /nfs/dbraw/zinc/41/41/55/886414155.db2.gz GVGDUXGGXBQUCJ-NEPJUHHUSA-N 2 0 289.376 -1.580 20 0 CAADRP O=C(NCC1(O)C[NH2+]C1)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC001357821557 886414947 /nfs/dbraw/zinc/41/49/47/886414947.db2.gz ZCLUDYLHUQJAMU-SECBINFHSA-N 2 0 267.251 -1.021 20 0 CAADRP C[NH2+]CCOCCN(C)C(=O)[C@@H](C)[C@H](O)C[NH2+]C ZINC001357923659 886415846 /nfs/dbraw/zinc/41/58/46/886415846.db2.gz UUOJVFJONGGKAF-WDEREUQCSA-N 2 0 261.366 -1.103 20 0 CAADRP O=C(C[C@H]1C[NH2+]CCO1)N[C@H]1COC2(C[NH2+]C2)C1 ZINC001357842873 886415924 /nfs/dbraw/zinc/41/59/24/886415924.db2.gz HITIHLBQMGEJEP-ZJUUUORDSA-N 2 0 255.318 -1.388 20 0 CAADRP O=C(C[NH2+]C[C@H]1CCCO1)N1CC[NH2+]C[C@@H]1CO ZINC001358037772 886417692 /nfs/dbraw/zinc/41/76/92/886417692.db2.gz OVDHCNYDMGUHGQ-GHMZBOCLSA-N 2 0 257.334 -1.452 20 0 CAADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)[C@H]1CC(=O)N(C2C[NH2+]C2)C1 ZINC001357969757 886417771 /nfs/dbraw/zinc/41/77/71/886417771.db2.gz ONCWNXVSGXXCHW-UTLUCORTSA-N 2 0 266.345 -1.245 20 0 CAADRP O=C(C[NH2+]C[C@@H]1CCCO1)N1CC[NH2+]C[C@@H]1CO ZINC001358037773 886417773 /nfs/dbraw/zinc/41/77/73/886417773.db2.gz OVDHCNYDMGUHGQ-MNOVXSKESA-N 2 0 257.334 -1.452 20 0 CAADRP C[NH+](C)C[C@@H]1CN(C(=O)CNCC[NH3+])C[C@H]1C[NH+](C)C ZINC001357967331 886417862 /nfs/dbraw/zinc/41/78/62/886417862.db2.gz XELFMCXXOLYWMN-CHWSQXEVSA-N 3 0 285.436 -1.268 20 0 CAADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)[C@@H]1CC(=O)N(C2C[NH2+]C2)C1 ZINC001357969754 886417867 /nfs/dbraw/zinc/41/78/67/886417867.db2.gz ONCWNXVSGXXCHW-BBBLOLIVSA-N 2 0 266.345 -1.245 20 0 CAADRP O=C(N1CCNCC[NH2+]CC1)[C@]12C[NH2+]C[C@H]1COC2 ZINC001358238868 886420562 /nfs/dbraw/zinc/42/05/62/886420562.db2.gz ISXNAGCOTHOFEM-AAEUAGOBSA-N 2 0 268.361 -1.756 20 0 CAADRP C[C@@H]1C[NH2+]C[C@H]1NC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC001358069861 886421028 /nfs/dbraw/zinc/42/10/28/886421028.db2.gz ALQPEVODSWLLLB-OUAUKWLOSA-N 2 0 268.361 -1.031 20 0 CAADRP C[C@H]1CN2CC[N@@H+]1C[C@H]2C(=O)NCCN1CCC([NH3+])CC1 ZINC001358112356 886421311 /nfs/dbraw/zinc/42/13/11/886421311.db2.gz YQNPABBJTSGWAP-JSGCOSHPSA-N 2 0 295.431 -1.086 20 0 CAADRP C[NH2+]C[C@H](O)[C@@H](C)C(=O)N1CCC[C@]([NH3+])(CO)C1 ZINC001358238762 886422054 /nfs/dbraw/zinc/42/20/54/886422054.db2.gz TZEMRNCODOWTBD-JFGNBEQYSA-N 2 0 259.350 -1.485 20 0 CAADRP CO[C@H]1C[NH2+][C@@](C)(C(=O)N2CCNCC[NH2+]CC2)C1 ZINC001358240105 886425201 /nfs/dbraw/zinc/42/52/01/886425201.db2.gz QNWXREORJBXYPD-DGCLKSJQSA-N 2 0 270.377 -1.225 20 0 CAADRP O=C(CNC(=O)[C@H]1CCC[NH2+]1)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC001358458600 886427419 /nfs/dbraw/zinc/42/74/19/886427419.db2.gz JTICYTSJZPRASU-LNFKQOIKSA-N 2 0 266.345 -1.136 20 0 CAADRP CN1CCN(C(=O)C2=NO[C@@H](C[NH3+])C2)CC[N@H+](C)CC1 ZINC001358444200 886427706 /nfs/dbraw/zinc/42/77/06/886427706.db2.gz JGZRGDVYZVDWCS-LLVKDONJSA-N 2 0 283.376 -1.204 20 0 CAADRP CN1CCN(C(=O)C2(C[NH3+])CC(O)C2)CC[N@H+](C)CC1 ZINC001358444488 886428641 /nfs/dbraw/zinc/42/86/41/886428641.db2.gz LOKOUNZMCDNFQY-UHFFFAOYSA-N 2 0 284.404 -1.208 20 0 CAADRP C[NH+](C)CCN(CC[NH+](C)C)Cc1cn(CC(N)=O)nn1 ZINC001364669058 887120317 /nfs/dbraw/zinc/12/03/17/887120317.db2.gz DUWVYNNXZPASEW-UHFFFAOYSA-N 2 0 297.407 -1.311 20 0 CAADRP CNC(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001367576459 887396762 /nfs/dbraw/zinc/39/67/62/887396762.db2.gz HJCVEJWUQIGUMJ-ZJUUUORDSA-N 2 0 272.349 -2.107 20 0 CAADRP CNC(=O)C[NH2+]C[C@H](O)CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001367587116 887402557 /nfs/dbraw/zinc/40/25/57/887402557.db2.gz KAPDKTLCFRQUAR-JQWIXIFHSA-N 2 0 288.392 -1.615 20 0 CAADRP CNC(=O)C[NH2+]C[C@H](O)CNC(=O)C[N@H+](C)C1CCC1 ZINC001367595475 887406478 /nfs/dbraw/zinc/40/64/78/887406478.db2.gz RVEDEHLHDPMLSO-NSHDSACASA-N 2 0 286.376 -1.717 20 0 CAADRP C[C@H]([NH2+]C[C@H](O)CNC(=O)C12CCC[NH+]1CCC2)C(N)=O ZINC001367611359 887409382 /nfs/dbraw/zinc/40/93/82/887409382.db2.gz WHOHARAMUMSQCG-QWRGUYRKSA-N 2 0 298.387 -1.445 20 0 CAADRP CCC[N@H+](C)CC(=O)NC[C@H](O)C[NH2+][C@H]1CCNC1=O ZINC001367624526 887412455 /nfs/dbraw/zinc/41/24/55/887412455.db2.gz RALVKZXKMNRRRU-MNOVXSKESA-N 2 0 286.376 -1.717 20 0 CAADRP CCC[N@H+](C)CC(=O)NC[C@H](O)C[NH2+][C@@H]1CCNC1=O ZINC001367624521 887413397 /nfs/dbraw/zinc/41/33/97/887413397.db2.gz RALVKZXKMNRRRU-GHMZBOCLSA-N 2 0 286.376 -1.717 20 0 CAADRP CC(C)[N@H+](C)CC(=O)NC[C@@H](O)C[NH2+][C@H]1CCNC1=O ZINC001367632066 887414954 /nfs/dbraw/zinc/41/49/54/887414954.db2.gz SLSRORGDKBBIEN-QWRGUYRKSA-N 2 0 286.376 -1.718 20 0 CAADRP CC(C)[N@H+](C)CC(=O)NC[C@@H](O)C[NH2+][C@@H]1CCNC1=O ZINC001367632067 887416704 /nfs/dbraw/zinc/41/67/04/887416704.db2.gz SLSRORGDKBBIEN-WDEREUQCSA-N 2 0 286.376 -1.718 20 0 CAADRP C[NH+](C)CCCC(=O)NC[C@]1(O)CC[N@H+](CCO)C1 ZINC001368266663 887467803 /nfs/dbraw/zinc/46/78/03/887467803.db2.gz VBUUIVUXTFZIJP-CYBMUJFWSA-N 2 0 273.377 -1.127 20 0 CAADRP C[N@@H+]1CC[C@@H](C(=O)NC[C@]2(O)CC[NH+](CCCO)C2)C1 ZINC001368291603 887470017 /nfs/dbraw/zinc/47/00/17/887470017.db2.gz WYIMGJNSSIRVRS-TZMCWYRMSA-N 2 0 285.388 -1.127 20 0 CAADRP C[C@@H]([NH2+]CCN(CCO)C(=O)[C@H]1CCC[N@@H+]1C)C(N)=O ZINC001368398811 887486361 /nfs/dbraw/zinc/48/63/61/887486361.db2.gz PWSQPSJKAYVNPN-GHMZBOCLSA-N 2 0 286.376 -1.635 20 0 CAADRP CC[C@@H](C(=O)N1CCO[C@H](C[NH2+]CC(N)=O)C1)[NH+](C)C ZINC001368535737 887489799 /nfs/dbraw/zinc/48/97/99/887489799.db2.gz SOEJHPRQFKBRLO-MNOVXSKESA-N 2 0 286.376 -1.371 20 0 CAADRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](CO)[NH2+]CCn1cncn1 ZINC001369349723 887550423 /nfs/dbraw/zinc/55/04/23/887550423.db2.gz FNZSMTPKUPRXEO-NWDGAFQWSA-N 2 0 296.375 -1.561 20 0 CAADRP CC(C)[N@H+](C)CC(=O)NC[C@@H](CO)[NH2+][C@H](C)C(N)=O ZINC001369371443 887561122 /nfs/dbraw/zinc/56/11/22/887561122.db2.gz GUIDXSBZKWYDPZ-ZJUUUORDSA-N 2 0 274.365 -1.733 20 0 CAADRP CN(C)C(=O)C[NH2+][C@@H](CO)CNC(=O)C[NH+]1CCCC1 ZINC001369383958 887562484 /nfs/dbraw/zinc/56/24/84/887562484.db2.gz OCIKIUKXQASQOM-LLVKDONJSA-N 2 0 286.376 -1.763 20 0 CAADRP C[C@@H](C[NH+]1CCOCC1)C(=O)NC[C@@H](CO)[NH2+]CCF ZINC001369390260 887563997 /nfs/dbraw/zinc/56/39/97/887563997.db2.gz ZZGLRBFEDNXCLR-RYUDHWBXSA-N 2 0 291.367 -1.009 20 0 CAADRP Cn1cc(C[NH2+][C@H](CO)CNC(=O)[C@@H]2CC[N@H+](C)C2)cn1 ZINC001369388897 887564990 /nfs/dbraw/zinc/56/49/90/887564990.db2.gz WXLAAHCMPXSATF-OLZOCXBDSA-N 2 0 295.387 -1.062 20 0 CAADRP C[C@@H]1[C@@H]([NH2+]CC(=O)NC(N)=O)CCN1C(=O)CC[NH+](C)C ZINC001369391540 887565740 /nfs/dbraw/zinc/56/57/40/887565740.db2.gz MHDAHTRXHQBWMV-ZJUUUORDSA-N 2 0 299.375 -1.288 20 0 CAADRP C[C@H](C[NH+]1CCOCC1)C(=O)NC[C@@H](CO)[NH2+]CCF ZINC001369390247 887565809 /nfs/dbraw/zinc/56/58/09/887565809.db2.gz ZZGLRBFEDNXCLR-NEPJUHHUSA-N 2 0 291.367 -1.009 20 0 CAADRP C[N@@H+]1CC[C@@H](C(=O)N2CC[C@H]([NH2+]CC(=O)NC(N)=O)C2)C1 ZINC001370408914 887607876 /nfs/dbraw/zinc/60/78/76/887607876.db2.gz PNROHNFLBDHSQH-ZJUUUORDSA-N 2 0 297.359 -1.677 20 0 CAADRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001370628877 887613673 /nfs/dbraw/zinc/61/36/73/887613673.db2.gz TZIDTJBJGVIYQV-KXUCPTDWSA-N 2 0 297.359 -1.488 20 0 CAADRP CC[N@H+](C)CCC(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001370703929 887630270 /nfs/dbraw/zinc/63/02/70/887630270.db2.gz NUGLHYKISXAWES-AOOOYVTPSA-N 2 0 299.375 -1.240 20 0 CAADRP C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]CC(=O)NC(N)=O ZINC001371186266 887651824 /nfs/dbraw/zinc/65/18/24/887651824.db2.gz JVGSVKRHZMKRCO-IVZWLZJFSA-N 2 0 299.375 -1.384 20 0 CAADRP C[C@@H](C[NH2+]CC(=O)NC(N)=O)N(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001374323463 887785663 /nfs/dbraw/zinc/78/56/63/887785663.db2.gz BREGLWZDMVQJBL-VHSXEESVSA-N 2 0 299.375 -1.431 20 0 CAADRP Cn1nncc1C[NH2+]C[C@H](O)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001374592156 887805375 /nfs/dbraw/zinc/80/53/75/887805375.db2.gz UCFAAJOLQQDLIQ-NWDGAFQWSA-N 2 0 296.375 -1.524 20 0 CAADRP C[C@H](O)C[NH2+]C[C@@H](O)CNC(=O)C1([NH+](C)C)CCC1 ZINC001374619554 887817631 /nfs/dbraw/zinc/81/76/31/887817631.db2.gz YIUGYUZIQYNCDU-WDEREUQCSA-N 2 0 273.377 -1.082 20 0 CAADRP COC[C@@H](O)C[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001374632253 887820238 /nfs/dbraw/zinc/82/02/38/887820238.db2.gz IXLVTTQAFGWNLJ-GRYCIOLGSA-N 2 0 289.376 -1.845 20 0 CAADRP C[NH+](C)CCC(=O)NC[C@@H](O)C[NH2+]CC(=O)NC(N)=O ZINC001374641715 887821034 /nfs/dbraw/zinc/82/10/34/887821034.db2.gz KOUOLXZDRJPSGA-QMMMGPOBSA-N 2 0 289.336 -2.800 20 0 CAADRP Cn1nccc1C[NH2+]C[C@@H](O)CNC(=O)CC[NH+](C)C ZINC001374638587 887821378 /nfs/dbraw/zinc/82/13/78/887821378.db2.gz ALKYNLCOUXEBQA-GFCCVEGCSA-N 2 0 283.376 -1.062 20 0 CAADRP CNC(=O)C[NH2+]C[C@H](O)CNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001374650601 887822995 /nfs/dbraw/zinc/82/29/95/887822995.db2.gz FIDJMJJOWJAQFG-QWRGUYRKSA-N 2 0 286.376 -1.859 20 0 CAADRP C[N@H+](CC(=O)NC[C@@H](O)C[NH2+]CC(N)=O)CC(C)(C)C ZINC001374649835 887823275 /nfs/dbraw/zinc/82/32/75/887823275.db2.gz DCJCDQPLTWHUOB-JTQLQIEISA-N 2 0 288.392 -1.484 20 0 CAADRP C[N@H+](CC(=O)NC[C@H](O)C[NH2+]CC(N)=O)CC(C)(C)C ZINC001374649840 887824242 /nfs/dbraw/zinc/82/42/42/887824242.db2.gz DCJCDQPLTWHUOB-SNVBAGLBSA-N 2 0 288.392 -1.484 20 0 CAADRP CC[C@@H](C(=O)NC[C@@H](O)C[NH2+]CC(=O)N(C)C)[NH+](C)C ZINC001374652121 887824459 /nfs/dbraw/zinc/82/44/59/887824459.db2.gz IDRPKWVKHYNKNR-QWRGUYRKSA-N 2 0 288.392 -1.519 20 0 CAADRP C[C@@H](C[NH2+]CC(=O)NC(N)=O)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001374920181 887851182 /nfs/dbraw/zinc/85/11/82/887851182.db2.gz BFTNUHZCYFPVAM-UWVGGRQHSA-N 2 0 299.375 -1.240 20 0 CAADRP CC[C@H](C(=O)N[C@@H](C)C[NH2+]CC(=O)NC(N)=O)[NH+](C)C ZINC001374960595 887855397 /nfs/dbraw/zinc/85/53/97/887855397.db2.gz BWHRBGMWABZVCI-DTWKUNHWSA-N 2 0 287.364 -1.384 20 0 CAADRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@]1(O)CC[NH+](CCO)C1 ZINC001376005726 887897202 /nfs/dbraw/zinc/89/72/02/887897202.db2.gz NUGWXRLRWCFOPF-DGCLKSJQSA-N 2 0 271.361 -1.374 20 0 CAADRP C[N@@H+]1CCC[C@H]1C(=O)NC[C@@]1(O)CC[NH+](CCO)C1 ZINC001376005722 887898638 /nfs/dbraw/zinc/89/86/38/887898638.db2.gz NUGWXRLRWCFOPF-AAEUAGOBSA-N 2 0 271.361 -1.374 20 0 CAADRP C[NH+](C)CCC(=O)NC[C@@H]([NH2+]CC(=O)NC(N)=O)C1CC1 ZINC001376245190 887918539 /nfs/dbraw/zinc/91/85/39/887918539.db2.gz RPLRKVIRRSAJDG-SNVBAGLBSA-N 2 0 299.375 -1.383 20 0 CAADRP O=C(C[NH+]1CCCC1)NCC1(O)CN(CCCO)C1 ZINC001376298626 887922114 /nfs/dbraw/zinc/92/21/14/887922114.db2.gz RQJYRWISJOYJFD-UHFFFAOYSA-N 2 0 271.361 -1.373 20 0 CAADRP C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@H]1C[C@H]([NH2+]CC(N)=O)C1 ZINC001376420061 887925209 /nfs/dbraw/zinc/92/52/09/887925209.db2.gz XWMHMLQASIQARW-SRVKXCTJSA-N 2 0 298.387 -1.323 20 0 CAADRP C[NH+]1CCC(OCC(=O)N[C@H]2C[C@@H]([NH2+]CC(N)=O)C2)CC1 ZINC001376490576 887933998 /nfs/dbraw/zinc/93/39/98/887933998.db2.gz PWGUXGYPSYFASS-PHIMTYICSA-N 2 0 298.387 -1.181 20 0 CAADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCO[C@H](C[NH2+]CC(N)=O)C1 ZINC001376847169 887962516 /nfs/dbraw/zinc/96/25/16/887962516.db2.gz BPCMWNSYAGVHCV-GHMZBOCLSA-N 2 0 284.360 -1.617 20 0 CAADRP C[NH+](C)CCC(=O)N1CCO[C@@H](C[NH2+][C@H]2CCNC2=O)C1 ZINC001376843417 887962709 /nfs/dbraw/zinc/96/27/09/887962709.db2.gz MPGQCFQHYSFQOS-RYUDHWBXSA-N 2 0 298.387 -1.356 20 0 CAADRP C[NH+](C)CCC(=O)N1CCO[C@@H](C[NH2+][C@@H]2CCNC2=O)C1 ZINC001376843414 887962959 /nfs/dbraw/zinc/96/29/59/887962959.db2.gz MPGQCFQHYSFQOS-NWDGAFQWSA-N 2 0 298.387 -1.356 20 0 CAADRP C[C@H](CNC(=O)[C@H](C)C[NH+]1CCOCC1)[NH2+]CC(N)=O ZINC001376861336 887963527 /nfs/dbraw/zinc/96/35/27/887963527.db2.gz CVKJRAFTSHZUIB-GHMZBOCLSA-N 2 0 286.376 -1.466 20 0 CAADRP COC[C@H](O)C[N@H+](C)CCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001377259921 887988088 /nfs/dbraw/zinc/98/80/88/887988088.db2.gz FQTODKCVTOEKFS-NWDGAFQWSA-N 2 0 273.377 -1.007 20 0 CAADRP C[C@H]([NH2+]CCN(C)C(=O)C[NH+]1CCCC1)C(=O)NC(N)=O ZINC001377599022 888005421 /nfs/dbraw/zinc/00/54/21/888005421.db2.gz PEQSUIPFNPFBJA-JTQLQIEISA-N 2 0 299.375 -1.286 20 0 CAADRP C[N@@H+]1CC[C@@H](C(=O)N[C@H]2CCN(CC(=O)NC(N)=O)C2)C1 ZINC001378082919 888034989 /nfs/dbraw/zinc/03/49/89/888034989.db2.gz LFUKJJUAYLRFMX-ZJUUUORDSA-N 2 0 297.359 -1.677 20 0 CAADRP C[C@@H](C[NH2+]CC(N)=O)N(C)C(=O)[C@H]1CN(C)CCO1 ZINC001378756946 888071830 /nfs/dbraw/zinc/07/18/30/888071830.db2.gz QZVQAKOZAFIZOH-VHSXEESVSA-N 2 0 272.349 -1.761 20 0 CAADRP Cn1nnnc1CNC[C@@H](O)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001379191961 888100334 /nfs/dbraw/zinc/10/03/34/888100334.db2.gz UWWOWIRYSAHRHP-NXEZZACHSA-N 2 0 297.363 -2.129 20 0 CAADRP C[NH+](C)CCCC(=O)NC[C@H](O)C[NH2+][C@H]1CCNC1=O ZINC001379239961 888111279 /nfs/dbraw/zinc/11/12/79/888111279.db2.gz PUEMCVYMUKEPPW-MNOVXSKESA-N 2 0 286.376 -1.717 20 0 CAADRP C[C@@H]([NH2+]C[C@@H](O)CNC(=O)C[NH+]1CCCC1)C(N)=O ZINC001379289979 888117262 /nfs/dbraw/zinc/11/72/62/888117262.db2.gz QDZPVPKQGRCJKI-NXEZZACHSA-N 2 0 272.349 -1.977 20 0 CAADRP O=C(C[NH2+]C[C@@H](O)CNC(=O)C[NH+]1CCCC1)NC1CC1 ZINC001379281685 888118323 /nfs/dbraw/zinc/11/83/23/888118323.db2.gz FFVGQFOHQHVLEW-GFCCVEGCSA-N 2 0 298.387 -1.573 20 0 CAADRP C[N@@H+]1CC[C@@H](C(=O)NC[C@@H](O)C[NH2+]CC(=O)N2CCC2)C1 ZINC001379288995 888119004 /nfs/dbraw/zinc/11/90/04/888119004.db2.gz NOKPRJIZFBJPAX-NEPJUHHUSA-N 2 0 298.387 -1.763 20 0 CAADRP Cn1nccc1C[NH2+]C[C@H](O)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001379293603 888122617 /nfs/dbraw/zinc/12/26/17/888122617.db2.gz XEJSCHPHKBVTSO-AAEUAGOBSA-N 2 0 295.387 -1.062 20 0 CAADRP CC[C@@H]1[C@@H](C(=O)NC[C@@H](CO)[NH2+]CC(N)=O)CC[N@@H+]1C ZINC001379398619 888137651 /nfs/dbraw/zinc/13/76/51/888137651.db2.gz QNDBOYJHONASIH-GARJFASQSA-N 2 0 286.376 -1.731 20 0 CAADRP C[C@H](C[NH2+]CC(=O)NC(N)=O)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001379416636 888140740 /nfs/dbraw/zinc/14/07/40/888140740.db2.gz LNHMGCZUZQUMIT-VHSXEESVSA-N 2 0 299.375 -1.383 20 0 CAADRP C[C@H](O)C[NH2+][C@@H](CO)CNC(=O)C1([NH+](C)C)CCC1 ZINC001379412903 888140750 /nfs/dbraw/zinc/14/07/50/888140750.db2.gz QOQCKIOKILLPBZ-WDEREUQCSA-N 2 0 273.377 -1.082 20 0 CAADRP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](CO)[NH2+]CCO ZINC001379413657 888140911 /nfs/dbraw/zinc/14/09/11/888140911.db2.gz QDTSDCWWNHZJSF-NEPJUHHUSA-N 2 0 273.377 -1.080 20 0 CAADRP C[C@H](O)C[NH2+][C@H](CO)CNC(=O)C1([NH+](C)C)CCC1 ZINC001379412898 888141075 /nfs/dbraw/zinc/14/10/75/888141075.db2.gz QOQCKIOKILLPBZ-QWRGUYRKSA-N 2 0 273.377 -1.082 20 0 CAADRP NC(=O)C[NH2+][C@@H](CO)CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001379436309 888142487 /nfs/dbraw/zinc/14/24/87/888142487.db2.gz MDVYLVNXXARMIL-LLVKDONJSA-N 2 0 298.387 -1.586 20 0 CAADRP CC(C)(C(=O)NC[C@@H](CO)[NH2+]CCO)[NH+]1CCCC1 ZINC001379460214 888146255 /nfs/dbraw/zinc/14/62/55/888146255.db2.gz FNTRFLFEBAKPGX-NSHDSACASA-N 2 0 273.377 -1.080 20 0 CAADRP C[NH+]1CCC(CC(=O)NC[C@H](CO)[NH2+]CCO)CC1 ZINC001379481366 888150647 /nfs/dbraw/zinc/15/06/47/888150647.db2.gz LNKJAHPHJCSMMI-GFCCVEGCSA-N 2 0 273.377 -1.223 20 0 CAADRP CN1CC[C@@H]([NH2+][C@H](CO)CNC(=O)C[NH+]2CCCC2)C1=O ZINC001379523323 888159131 /nfs/dbraw/zinc/15/91/31/888159131.db2.gz CXMOWBMCZGEBAU-NWDGAFQWSA-N 2 0 298.387 -1.620 20 0 CAADRP C[N@@H+]1CC[C@@H](C(=O)NC[C@@H](CO)[NH2+]CC(=O)NC2CC2)C1 ZINC001379524884 888159278 /nfs/dbraw/zinc/15/92/78/888159278.db2.gz GKKRJYYUJPUGFQ-PWSUYJOCSA-N 2 0 298.387 -1.717 20 0 CAADRP O=C(C[NH+]1CCCC1)NC[C@H](CO)[NH2+]CC(=O)N1CCC1 ZINC001379526933 888159857 /nfs/dbraw/zinc/15/98/57/888159857.db2.gz LYEZLVBJAAJWCK-GFCCVEGCSA-N 2 0 298.387 -1.619 20 0 CAADRP CN1CC[C@H]([NH2+][C@@H](CO)CNC(=O)C[NH+]2CCCC2)C1=O ZINC001379523322 888159986 /nfs/dbraw/zinc/15/99/86/888159986.db2.gz CXMOWBMCZGEBAU-NEPJUHHUSA-N 2 0 298.387 -1.620 20 0 CAADRP CN1CC[C@H]([NH2+][C@H](CO)CNC(=O)C[NH+]2CCCC2)C1=O ZINC001379523661 888160755 /nfs/dbraw/zinc/16/07/55/888160755.db2.gz CXMOWBMCZGEBAU-RYUDHWBXSA-N 2 0 298.387 -1.620 20 0 CAADRP CNC(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001379819592 888176553 /nfs/dbraw/zinc/17/65/53/888176553.db2.gz BUHNXBMYGACHBR-GHMZBOCLSA-N 2 0 286.376 -1.765 20 0 CAADRP CNC(=O)C[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001379819593 888176735 /nfs/dbraw/zinc/17/67/35/888176735.db2.gz BUHNXBMYGACHBR-WDEREUQCSA-N 2 0 286.376 -1.765 20 0 CAADRP C[C@H](O)C[N@@H+]1CC[C@](O)(CNC(=O)CC[NH+](C)C)C1 ZINC001380553004 888208707 /nfs/dbraw/zinc/20/87/07/888208707.db2.gz MURUQAWVPPBRHI-AAEUAGOBSA-N 2 0 273.377 -1.128 20 0 CAADRP C[NH+](C)CC1(C(=O)N2CCO[C@@H](C[NH2+]CC(N)=O)C2)CC1 ZINC001380915065 888236530 /nfs/dbraw/zinc/23/65/30/888236530.db2.gz LOGJFDQTSXEQGX-NSHDSACASA-N 2 0 298.387 -1.370 20 0 CAADRP C[C@@H]1CC[N@H+](CC(=O)N2CCO[C@@H](C[NH2+]CC(N)=O)C2)C1 ZINC001380909268 888236870 /nfs/dbraw/zinc/23/68/70/888236870.db2.gz AZCNLTQKNAZJJA-NEPJUHHUSA-N 2 0 298.387 -1.370 20 0 CAADRP C[C@H]1CC[N@H+](CC(=O)N2CCO[C@@H](C[NH2+]CC(N)=O)C2)C1 ZINC001380909275 888237700 /nfs/dbraw/zinc/23/77/00/888237700.db2.gz AZCNLTQKNAZJJA-RYUDHWBXSA-N 2 0 298.387 -1.370 20 0 CAADRP O=C(Cc1c[nH]cn1)NC1(CO)CC[NH+](CCO)CC1 ZINC001381263972 888248965 /nfs/dbraw/zinc/24/89/65/888248965.db2.gz SSIHAPQEDACFEX-UHFFFAOYSA-N 2 0 282.344 -1.112 20 0 CAADRP C[C@@H](CCNC(=O)[C@H]1CCC[N@@H+]1C)[NH2+]CC(=O)NC(N)=O ZINC001381182416 888248996 /nfs/dbraw/zinc/24/89/96/888248996.db2.gz UGKKWNDWMQYDTR-VHSXEESVSA-N 2 0 299.375 -1.240 20 0 CAADRP CN(C)C(=O)C[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001382184206 888287922 /nfs/dbraw/zinc/28/79/22/888287922.db2.gz NJGHVLHDYPIHFT-MNOVXSKESA-N 2 0 286.376 -1.765 20 0 CAADRP CN(C)C(=O)C[NH2+][C@@H](CO)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001382184205 888289687 /nfs/dbraw/zinc/28/96/87/888289687.db2.gz NJGHVLHDYPIHFT-GHMZBOCLSA-N 2 0 286.376 -1.765 20 0 CAADRP C[NH+](C)CCC(=O)NC[C@H](CO)[NH2+][C@@H]1CCCNC1=O ZINC001382235700 888307017 /nfs/dbraw/zinc/30/70/17/888307017.db2.gz NKEMTKRYUIYDJX-GHMZBOCLSA-N 2 0 286.376 -1.717 20 0 CAADRP C[N@@H+]1CC[C@@H](C(=O)NC[C@@H](CO)[NH2+]CCn2cncn2)C1 ZINC001382274197 888324800 /nfs/dbraw/zinc/32/48/00/888324800.db2.gz NZCDIMVKETWADV-NEPJUHHUSA-N 2 0 296.375 -1.704 20 0 CAADRP C[N@@H+]1CC[C@H](C(=O)NC[C@H](CO)[NH2+]CCn2cncn2)C1 ZINC001382274200 888325692 /nfs/dbraw/zinc/32/56/92/888325692.db2.gz NZCDIMVKETWADV-NWDGAFQWSA-N 2 0 296.375 -1.704 20 0 CAADRP C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@H]1C[C@@H]([NH2+]CC(N)=O)C1 ZINC001390017124 888569506 /nfs/dbraw/zinc/56/95/06/888569506.db2.gz XWMHMLQASIQARW-SDDRHHMPSA-N 2 0 298.387 -1.323 20 0 CAADRP 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 888574455 /nfs/dbraw/zinc/57/44/55/888574455.db2.gz HYNLTZIAFGNEFB-BJJPWKGXSA-N 2 0 297.399 -1.008 20 0 CAADRP C[C@@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)[NH2+]CC(=O)NC(N)=O ZINC001390501185 888584882 /nfs/dbraw/zinc/58/48/82/888584882.db2.gz ALGNNFIYIJCEFX-UWVGGRQHSA-N 2 0 299.375 -1.383 20 0 CAADRP C[C@@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)[NH2+]CC(=O)NC(N)=O ZINC001390501187 888585514 /nfs/dbraw/zinc/58/55/14/888585514.db2.gz ALGNNFIYIJCEFX-VHSXEESVSA-N 2 0 299.375 -1.383 20 0 CAADRP C[C@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)[NH2+]CC(=O)NC(N)=O ZINC001390501190 888586704 /nfs/dbraw/zinc/58/67/04/888586704.db2.gz ALGNNFIYIJCEFX-ZJUUUORDSA-N 2 0 299.375 -1.383 20 0 CAADRP CC[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]CC(=O)NC(N)=O ZINC001391746979 888643061 /nfs/dbraw/zinc/64/30/61/888643061.db2.gz DHAHAEXXZZVOOQ-VHSXEESVSA-N 2 0 299.375 -1.383 20 0 CAADRP CC[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]CC(=O)NC(N)=O ZINC001391746977 888644390 /nfs/dbraw/zinc/64/43/90/888644390.db2.gz DHAHAEXXZZVOOQ-NXEZZACHSA-N 2 0 299.375 -1.383 20 0 CAADRP C[C@H](C[NH2+]CC(=O)NC(N)=O)N(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001392092199 888665925 /nfs/dbraw/zinc/66/59/25/888665925.db2.gz QGKIWLAWQNJFDZ-NXEZZACHSA-N 2 0 299.375 -1.288 20 0 CAADRP C[N@H+](CC(=O)NC[C@@H](O)C[NH2+]CC(N)=O)C1CCC1 ZINC001392371962 888687409 /nfs/dbraw/zinc/68/74/09/888687409.db2.gz GHQRXLLWVDQYSG-JTQLQIEISA-N 2 0 272.349 -1.977 20 0 CAADRP C[C@H]([NH2+]C[C@@H](O)CNC(=O)C1([NH+](C)C)CCC1)C(N)=O ZINC001392377473 888690371 /nfs/dbraw/zinc/69/03/71/888690371.db2.gz SGXBUDRRCHWDJS-VHSXEESVSA-N 2 0 286.376 -1.589 20 0 CAADRP CNC(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001392392318 888692800 /nfs/dbraw/zinc/69/28/00/888692800.db2.gz KAPDKTLCFRQUAR-ZYHUDNBSSA-N 2 0 288.392 -1.615 20 0 CAADRP O=C(C[NH+]1CCCC1)NC[C@@H](O)C[NH2+][C@H]1CCNC1=O ZINC001392428056 888704930 /nfs/dbraw/zinc/70/49/30/888704930.db2.gz PJZVBIBUYPJAJW-QWRGUYRKSA-N 2 0 284.360 -1.963 20 0 CAADRP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H](O)C[NH2+]CC(N)=O ZINC001392434370 888707417 /nfs/dbraw/zinc/70/74/17/888707417.db2.gz XGFVXBBNSFQHSJ-MNOVXSKESA-N 2 0 286.376 -1.587 20 0 CAADRP O=C(NC[C@@H](O)C[NH2+][C@H]1CCNC1=O)C12CC[NH+](CC1)C2 ZINC001392422400 888708415 /nfs/dbraw/zinc/70/84/15/888708415.db2.gz KHTHKQPNBJLYBZ-QWRGUYRKSA-N 2 0 296.371 -1.963 20 0 CAADRP CNC(=O)NC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001392501841 888715383 /nfs/dbraw/zinc/71/53/83/888715383.db2.gz KIZLTGGKHPZHSX-NXEZZACHSA-N 2 0 299.375 -1.370 20 0 CAADRP C[C@@H]([NH2+]CCN(CCO)C(=O)[C@@H]1CC[N@H+](C)C1)C(N)=O ZINC001393484817 888791061 /nfs/dbraw/zinc/79/10/61/888791061.db2.gz WMDYAIFIQDCIRW-GHMZBOCLSA-N 2 0 286.376 -1.778 20 0 CAADRP C[C@H]([NH2+]CCN(CCO)C(=O)[C@@H]1CC[N@H+](C)C1)C(N)=O ZINC001393484829 888791455 /nfs/dbraw/zinc/79/14/55/888791455.db2.gz WMDYAIFIQDCIRW-WDEREUQCSA-N 2 0 286.376 -1.778 20 0 CAADRP C[C@H]([NH2+]CCN(CCO)C(=O)[C@H]1CC[N@H+](C)C1)C(N)=O ZINC001393484825 888792273 /nfs/dbraw/zinc/79/22/73/888792273.db2.gz WMDYAIFIQDCIRW-QWRGUYRKSA-N 2 0 286.376 -1.778 20 0 CAADRP C[C@@H]([NH2+]CCN(CCO)C(=O)[C@H]1CC[N@H+](C)C1)C(N)=O ZINC001393484821 888792407 /nfs/dbraw/zinc/79/24/07/888792407.db2.gz WMDYAIFIQDCIRW-MNOVXSKESA-N 2 0 286.376 -1.778 20 0 CAADRP C[NH+](C)C1(C(=O)N2CCO[C@H](C[NH2+]CC(N)=O)C2)CCC1 ZINC001393577755 888794261 /nfs/dbraw/zinc/79/42/61/888794261.db2.gz TWONMUPFZDHXFN-LLVKDONJSA-N 2 0 298.387 -1.227 20 0 CAADRP C[N@@H+]1CC[C@@H](C(=O)N2CCO[C@H](C[NH2+]CC(N)=O)C2)C1 ZINC001393587803 888794588 /nfs/dbraw/zinc/79/45/88/888794588.db2.gz TUNPTFGXJSDEKK-GHMZBOCLSA-N 2 0 284.360 -1.760 20 0 CAADRP C[C@H]([NH2+]C[C@@H]1CN(C(=O)CC[NH+](C)C)CCO1)C(N)=O ZINC001393580021 888795134 /nfs/dbraw/zinc/79/51/34/888795134.db2.gz AJVXPCHZLHIXAU-WDEREUQCSA-N 2 0 286.376 -1.371 20 0 CAADRP C[NH+](C)C1(C(=O)N2CCO[C@@H](C[NH2+]CC(N)=O)C2)CCC1 ZINC001393577758 888795631 /nfs/dbraw/zinc/79/56/31/888795631.db2.gz TWONMUPFZDHXFN-NSHDSACASA-N 2 0 298.387 -1.227 20 0 CAADRP NC(=O)C[NH2+]CC1(NC(=O)C[NH+]2CCCC2)CCOCC1 ZINC001393718931 888800615 /nfs/dbraw/zinc/80/06/15/888800615.db2.gz JBMXWRANPLOGEM-UHFFFAOYSA-N 2 0 298.387 -1.178 20 0 CAADRP C[N@@H+]1CC[C@H](C(=O)N2CCC(O)(C[NH2+]CC(N)=O)CC2)C1 ZINC001393778595 888805041 /nfs/dbraw/zinc/80/50/41/888805041.db2.gz VNGXZWMOZXNWLB-NSHDSACASA-N 2 0 298.387 -1.634 20 0 CAADRP C[C@H](CN(C)C(=O)[C@H]1CCC[N@@H+]1C)[NH2+]CC(=O)NC(N)=O ZINC001394510285 888833374 /nfs/dbraw/zinc/83/33/74/888833374.db2.gz YWDLYZPRYDULAO-NXEZZACHSA-N 2 0 299.375 -1.288 20 0 CAADRP C[C@H](CN(C)C(=O)CC[NH+](C)C)[NH2+]CC(=O)NC(N)=O ZINC001394517090 888836236 /nfs/dbraw/zinc/83/62/36/888836236.db2.gz GXRJOXJXWVUOFD-SECBINFHSA-N 2 0 287.364 -1.431 20 0 CAADRP O=C(NC[C@@H](CO)[NH2+]CCO)[C@@H]1C[NH+]2CCC1CC2 ZINC001394582378 888848406 /nfs/dbraw/zinc/84/84/06/888848406.db2.gz DPELSLNJXGUAHF-NWDGAFQWSA-N 2 0 271.361 -1.613 20 0 CAADRP C[N@H+](CC(=O)NC[C@H](CO)[NH2+][C@@H]1CCNC1=O)C1CCC1 ZINC001394601945 888855765 /nfs/dbraw/zinc/85/57/65/888855765.db2.gz GFZCHGDTAKMTRO-ZYHUDNBSSA-N 2 0 298.387 -1.574 20 0 CAADRP CC[C@H](C(=O)NC[C@H](CO)[NH2+]CC(=O)N(C)C)[NH+](C)C ZINC001394607021 888856873 /nfs/dbraw/zinc/85/68/73/888856873.db2.gz AWCRGKUAKYJQFD-GHMZBOCLSA-N 2 0 288.392 -1.519 20 0 CAADRP C[N@H+](CC(=O)NC[C@@H](CO)[NH2+][C@H]1CCNC1=O)C1CCC1 ZINC001394601942 888858564 /nfs/dbraw/zinc/85/85/64/888858564.db2.gz GFZCHGDTAKMTRO-JQWIXIFHSA-N 2 0 298.387 -1.574 20 0 CAADRP C[NH+](C)C1(C(=O)NC[C@@H](CO)[NH2+][C@@H]2CCNC2=O)CCC1 ZINC001394613816 888860475 /nfs/dbraw/zinc/86/04/75/888860475.db2.gz VSLPWSMVBOLTQX-WDEREUQCSA-N 2 0 298.387 -1.574 20 0 CAADRP CNC(=O)C[NH2+][C@@H](CO)CNC(=O)C1(C[NH+](C)C)CC1 ZINC001394625266 888865061 /nfs/dbraw/zinc/86/50/61/888865061.db2.gz YBCAMQZIFMFVFZ-SNVBAGLBSA-N 2 0 286.376 -1.859 20 0 CAADRP CC(C)[C@H](C(=O)NC[C@@H](CO)[NH2+]CC(N)=O)[NH+](C)C ZINC001394640317 888870843 /nfs/dbraw/zinc/87/08/43/888870843.db2.gz BACLGZSPOUETGD-GXSJLCMTSA-N 2 0 274.365 -1.875 20 0 CAADRP Cn1nccc1C[NH2+][C@@H](CO)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001394658516 888877372 /nfs/dbraw/zinc/87/73/72/888877372.db2.gz XMEDESRLRQEKNT-NWDGAFQWSA-N 2 0 295.387 -1.062 20 0 CAADRP CN(C[C@H](O)C[NH2+]CC(N)=O)C(=O)C1([NH+](C)C)CCC1 ZINC001394737500 888886669 /nfs/dbraw/zinc/88/66/69/888886669.db2.gz FTXWURKKEAGHFS-SNVBAGLBSA-N 2 0 286.376 -1.635 20 0 CAADRP CN(C[C@@H](O)C[NH2+]CC(N)=O)C(=O)[C@H]1CCC[N@@H+]1C ZINC001394749952 888887832 /nfs/dbraw/zinc/88/78/32/888887832.db2.gz HYFODSWTHDKHPU-VHSXEESVSA-N 2 0 272.349 -2.025 20 0 CAADRP CN(C[C@H](O)C[NH2+]CC(N)=O)C(=O)[C@H]1CCC[N@@H+]1C ZINC001394749951 888889368 /nfs/dbraw/zinc/88/93/68/888889368.db2.gz HYFODSWTHDKHPU-NXEZZACHSA-N 2 0 272.349 -2.025 20 0 CAADRP C[C@H]([NH2+]C[C@@H](O)CN(C)C(=O)C[NH+]1CCCC1)C(N)=O ZINC001394753863 888890645 /nfs/dbraw/zinc/89/06/45/888890645.db2.gz LCYYZBJMHUOIHW-WDEREUQCSA-N 2 0 286.376 -1.635 20 0 CAADRP CC(C)[C@H](C(=O)N(C)C[C@@H](O)C[NH2+]CC(N)=O)[NH+](C)C ZINC001394762964 888892497 /nfs/dbraw/zinc/89/24/97/888892497.db2.gz YANWZBHVCCYSIU-CMPLNLGQSA-N 2 0 288.392 -1.533 20 0 CAADRP CC(C)[C@H](C(=O)N(C)C[C@H](O)C[NH2+]CC(N)=O)[NH+](C)C ZINC001394762969 888893728 /nfs/dbraw/zinc/89/37/28/888893728.db2.gz YANWZBHVCCYSIU-ZYHUDNBSSA-N 2 0 288.392 -1.533 20 0 CAADRP C[C@@H]([NH2+]C[C@@H](O)CN(C)C(=O)CC[NH+](C)C)C(N)=O ZINC001394762702 888894175 /nfs/dbraw/zinc/89/41/75/888894175.db2.gz QJLJXKIEZITAFU-NXEZZACHSA-N 2 0 274.365 -1.779 20 0 CAADRP CN(C[C@@H](O)C[N@H+](C)CCO)C(=O)C12CC[NH+](CC1)C2 ZINC001394780994 888895219 /nfs/dbraw/zinc/89/52/19/888895219.db2.gz GSSRDBFEUIOBIR-LBPRGKRZSA-N 2 0 285.388 -1.174 20 0 CAADRP CN(C[C@@H](O)C[N@H+](C)CCO)C(=O)C[NH+]1CCCC1 ZINC001394792491 888900851 /nfs/dbraw/zinc/90/08/51/888900851.db2.gz OIWPCJBPUJNNOG-LBPRGKRZSA-N 2 0 273.377 -1.174 20 0 CAADRP C[C@@H](CNC(=O)C[NH+]1CCCC1)[NH2+][C@@H](C)C(=O)NC(N)=O ZINC001399101878 889031916 /nfs/dbraw/zinc/03/19/16/889031916.db2.gz GMQAECZDSAAYNU-UWVGGRQHSA-N 2 0 299.375 -1.240 20 0 CAADRP C[C@@H]1[C@H](C(=O)NC[C@@H](O)C[NH2+]CC(N)=O)CC[N@@H+]1C ZINC001401518574 889149016 /nfs/dbraw/zinc/14/90/16/889149016.db2.gz YDKZTBFITRWRJR-KXUCPTDWSA-N 2 0 272.349 -2.121 20 0 CAADRP C[NH+](C)C1(C(=O)NC[C@H](O)C[NH2+]CC(N)=O)CCC1 ZINC001401545996 889153492 /nfs/dbraw/zinc/15/34/92/889153492.db2.gz HEAVEFULSCRSPK-SECBINFHSA-N 2 0 272.349 -1.977 20 0 CAADRP C[NH+](C)CCC(=O)NC[C@@H](O)C[NH2+][C@H]1CCNC1=O ZINC001401568168 889160401 /nfs/dbraw/zinc/16/04/01/889160401.db2.gz ZXJQEEJCAONSLZ-UWVGGRQHSA-N 2 0 272.349 -2.107 20 0 CAADRP C[NH+](C)CCC(=O)NC[C@H](O)C[NH2+][C@@H]1CCNC1=O ZINC001401568165 889162200 /nfs/dbraw/zinc/16/22/00/889162200.db2.gz ZXJQEEJCAONSLZ-NXEZZACHSA-N 2 0 272.349 -2.107 20 0 CAADRP O=C(C[NH+]1CCCC1)NC[C@H](O)C[NH2+]CC(=O)N1CCC1 ZINC001401567702 889162214 /nfs/dbraw/zinc/16/22/14/889162214.db2.gz NSLQPTKTMJAGOS-GFCCVEGCSA-N 2 0 298.387 -1.619 20 0 CAADRP CN(C)C(=O)C[NH2+]C[C@H](O)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001401574944 889163960 /nfs/dbraw/zinc/16/39/60/889163960.db2.gz FCBVZDSIZNFPPH-MNOVXSKESA-N 2 0 286.376 -1.907 20 0 CAADRP CNC(=O)C[NH2+]C[C@H](O)CNC(=O)C1(C[NH+](C)C)CC1 ZINC001401580988 889164547 /nfs/dbraw/zinc/16/45/47/889164547.db2.gz WRWFAKSMSXKNGO-JTQLQIEISA-N 2 0 286.376 -1.859 20 0 CAADRP CNC(=O)C[NH2+]C[C@@H](O)CNC(=O)C1(C[NH+](C)C)CC1 ZINC001401581015 889164566 /nfs/dbraw/zinc/16/45/66/889164566.db2.gz WRWFAKSMSXKNGO-SNVBAGLBSA-N 2 0 286.376 -1.859 20 0 CAADRP C[C@@H](C[NH2+]CC(N)=O)NC(=O)COC1CC[NH+](C)CC1 ZINC001401709836 889179043 /nfs/dbraw/zinc/17/90/43/889179043.db2.gz JKLOPQBKVDJAKF-JTQLQIEISA-N 2 0 286.376 -1.323 20 0 CAADRP C[C@@H](C[NH2+]CC(=O)NC(N)=O)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001401717798 889179226 /nfs/dbraw/zinc/17/92/26/889179226.db2.gz NQYZNKOTLWIIGP-UWVGGRQHSA-N 2 0 299.375 -1.383 20 0 CAADRP C[C@@H](C[NH2+]CC(=O)NC(N)=O)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001401717802 889180127 /nfs/dbraw/zinc/18/01/27/889180127.db2.gz NQYZNKOTLWIIGP-VHSXEESVSA-N 2 0 299.375 -1.383 20 0 CAADRP C[N@@H+]1CC[C@@H](C(=O)NCC2([NH2+]CC(=O)NC(N)=O)CC2)C1 ZINC001401987058 889197639 /nfs/dbraw/zinc/19/76/39/889197639.db2.gz VAPIJBGLCYNYTE-SECBINFHSA-N 2 0 297.359 -1.629 20 0 CAADRP CC[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)NC(N)=O)C1)[NH+](C)C ZINC001402585751 889248346 /nfs/dbraw/zinc/24/83/46/889248346.db2.gz HFHRRBWEDDBJJO-KXUCPTDWSA-N 2 0 299.375 -1.242 20 0 CAADRP CNC(=O)C[NH2+]C[C@H]1CN(C(=O)CC[NH+](C)C)CCO1 ZINC001402613312 889252203 /nfs/dbraw/zinc/25/22/03/889252203.db2.gz YQECTQONWUXGQW-NSHDSACASA-N 2 0 286.376 -1.499 20 0 CAADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@](CO)([NH2+]CC(N)=O)C1 ZINC001402727061 889259705 /nfs/dbraw/zinc/25/97/05/889259705.db2.gz QZEPPANVFWXINL-BXUZGUMPSA-N 2 0 298.387 -1.491 20 0 CAADRP CNC(=O)C[NH2+][C@H](CO)CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001403719757 889356421 /nfs/dbraw/zinc/35/64/21/889356421.db2.gz HCVHWIXUWQDHBL-JQWIXIFHSA-N 2 0 288.392 -1.615 20 0 CAADRP C[C@@H]([NH2+][C@H](CO)CNC(=O)C[NH+]1CCCC1)C(N)=O ZINC001403734150 889360677 /nfs/dbraw/zinc/36/06/77/889360677.db2.gz DDPDVBNQQNDSCL-ZJUUUORDSA-N 2 0 272.349 -1.977 20 0 CAADRP CN(C[C@@H](O)C[NH2+]CC(N)=O)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001403848317 889375024 /nfs/dbraw/zinc/37/50/24/889375024.db2.gz VUFCURHKVQVXRF-NWDGAFQWSA-N 2 0 298.387 -1.778 20 0 CAADRP CN(C[C@@H](O)C[NH2+]CC(N)=O)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001403874970 889378368 /nfs/dbraw/zinc/37/83/68/889378368.db2.gz HZPVVWMWSHOBCJ-UWVGGRQHSA-N 2 0 272.349 -2.168 20 0 CAADRP CN(C[C@H](O)C[NH2+]CC(N)=O)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001403874971 889380715 /nfs/dbraw/zinc/38/07/15/889380715.db2.gz HZPVVWMWSHOBCJ-VHSXEESVSA-N 2 0 272.349 -2.168 20 0 CAADRP C[C@H](O)C[NH2+]C[C@@H](O)CN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001403878944 889386032 /nfs/dbraw/zinc/38/60/32/889386032.db2.gz JFVPCXXDBJLLAN-NWDGAFQWSA-N 2 0 285.388 -1.128 20 0 CAADRP CC[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C)[NH2+]CC(=O)NC(N)=O ZINC001405197896 889431300 /nfs/dbraw/zinc/43/13/00/889431300.db2.gz COFIDNLXXYHKPW-NXEZZACHSA-N 2 0 299.375 -1.240 20 0 CAADRP CN(C)C(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001406200860 889483039 /nfs/dbraw/zinc/48/30/39/889483039.db2.gz CQOARBDSFVBULM-MNOVXSKESA-N 2 0 286.376 -1.765 20 0 CAADRP C[N@H+](CC(=O)NC[C@H](O)C[NH2+][C@H]1CCNC1=O)C1CCC1 ZINC001406246351 889495668 /nfs/dbraw/zinc/49/56/68/889495668.db2.gz PHIFGPXYBKQLRD-NEPJUHHUSA-N 2 0 298.387 -1.574 20 0 CAADRP C[N@@H+]1CCC[C@H]1CCC(=O)NC[C@H](O)C[NH2+]CC(N)=O ZINC001406254279 889498701 /nfs/dbraw/zinc/49/87/01/889498701.db2.gz XEWHXHOODCZQJF-WDEREUQCSA-N 2 0 286.376 -1.587 20 0 CAADRP NC(=O)C[NH2+]C[C@@H](O)CNC(=O)C12CC[NH+](CC1)C2 ZINC001406270094 889501605 /nfs/dbraw/zinc/50/16/05/889501605.db2.gz AKSJYSMTIRVLAC-SECBINFHSA-N 2 0 270.333 -2.366 20 0 CAADRP C[NH+](C)CC1(C(=O)NC[C@@H](O)C[NH2+]CC(N)=O)CC1 ZINC001406261902 889502304 /nfs/dbraw/zinc/50/23/04/889502304.db2.gz AOKLFSZXRXSMBF-VIFPVBQESA-N 2 0 272.349 -2.120 20 0 CAADRP Cn1cc(C[NH2+]C[C@@H](O)CNC(=O)[C@@H]2CC[N@H+](C)C2)cn1 ZINC001406275500 889505508 /nfs/dbraw/zinc/50/55/08/889505508.db2.gz CGDVUQVGHCGSCZ-CHWSQXEVSA-N 2 0 295.387 -1.062 20 0 CAADRP CC1CC[NH+](CC(=O)NC[C@H](O)C[NH2+]CC(N)=O)CC1 ZINC001406277449 889506872 /nfs/dbraw/zinc/50/68/72/889506872.db2.gz GENWUHLIYQRNGI-LLVKDONJSA-N 2 0 286.376 -1.730 20 0 CAADRP CC1CC[NH+](CC(=O)NC[C@@H](O)C[NH2+]CC(N)=O)CC1 ZINC001406277465 889508397 /nfs/dbraw/zinc/50/83/97/889508397.db2.gz GENWUHLIYQRNGI-NSHDSACASA-N 2 0 286.376 -1.730 20 0 CAADRP C[C@@H](C[NH2+]CC(=O)NC(N)=O)NC(=O)CCC[NH+](C)C ZINC001406522203 889526041 /nfs/dbraw/zinc/52/60/41/889526041.db2.gz QLSJZVADDLOVDA-VIFPVBQESA-N 2 0 287.364 -1.383 20 0 CAADRP C[NH+](C)CCC(=O)NCC1([NH2+]CC(=O)NC(N)=O)CC1 ZINC001406948679 889548281 /nfs/dbraw/zinc/54/82/81/889548281.db2.gz BHUSBZVTPKMIPE-UHFFFAOYSA-N 2 0 285.348 -1.629 20 0 CAADRP CC[N@H+](C)CCC(=O)NCC1([NH2+]CC(=O)NC(N)=O)CC1 ZINC001406987528 889550184 /nfs/dbraw/zinc/55/01/84/889550184.db2.gz VNINTHSPCGLROD-UHFFFAOYSA-N 2 0 299.375 -1.239 20 0 CAADRP C[C@@H]([NH2+]C1(CNC(=O)CC[NH+](C)C)CC1)C(=O)NC(N)=O ZINC001406961156 889550255 /nfs/dbraw/zinc/55/02/55/889550255.db2.gz UYCGQYLDMDXVTH-SECBINFHSA-N 2 0 299.375 -1.240 20 0 CAADRP NC(=O)C[NH2+]C1(CNC(=O)C[NH+]2CCCC2)CCOCC1 ZINC001407316426 889555640 /nfs/dbraw/zinc/55/56/40/889555640.db2.gz YSEDFOJDPDHZFJ-UHFFFAOYSA-N 2 0 298.387 -1.178 20 0 CAADRP C[N@@H+]1CCCC[C@H]1C(=O)N1CCO[C@H](C[NH2+]CC(N)=O)C1 ZINC001407847603 889592302 /nfs/dbraw/zinc/59/23/02/889592302.db2.gz IEJWELURHQTAQQ-NEPJUHHUSA-N 2 0 298.387 -1.227 20 0 CAADRP C[C@H](CN(C)C(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]CC(=O)NC(N)=O ZINC001410356234 889675442 /nfs/dbraw/zinc/67/54/42/889675442.db2.gz YWDLYZPRYDULAO-ZJUUUORDSA-N 2 0 299.375 -1.288 20 0 CAADRP CNC(=O)C[NH2+][C@H](CO)CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001410657680 889696221 /nfs/dbraw/zinc/69/62/21/889696221.db2.gz NMQGVTLCEGGGNW-NWDGAFQWSA-N 2 0 298.387 -1.859 20 0 CAADRP CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001410780326 889713082 /nfs/dbraw/zinc/71/30/82/889713082.db2.gz DXXFTNGCQPGMJY-WDEREUQCSA-N 2 0 286.376 -1.859 20 0 CAADRP O=C(NC[C@@H](CO)[NH2+]CCO)[C@@]12CC[N@H+](C1)CCC2 ZINC001410783716 889713493 /nfs/dbraw/zinc/71/34/93/889713493.db2.gz QLGDGZZFHDMPMP-AAEUAGOBSA-N 2 0 271.361 -1.469 20 0 CAADRP CC[C@H]([NH2+][C@@H](CO)CNC(=O)C[NH+]1CCCC1)C(N)=O ZINC001410792585 889717778 /nfs/dbraw/zinc/71/77/78/889717778.db2.gz TUANWDZTESLKGK-MNOVXSKESA-N 2 0 286.376 -1.587 20 0 CAADRP CN(C[C@@H](O)C[NH2+][C@H]1CCNC1=O)C(=O)CC[NH+](C)C ZINC001411069150 889730867 /nfs/dbraw/zinc/73/08/67/889730867.db2.gz CNEFBBGIAHWSCG-QWRGUYRKSA-N 2 0 286.376 -1.765 20 0 CAADRP CNC(=O)C[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001411154018 889737892 /nfs/dbraw/zinc/73/78/92/889737892.db2.gz YYGOZHNKNCEDFZ-MNOVXSKESA-N 2 0 286.376 -1.907 20 0 CAADRP C[NH+](C)C[C@@H]1CN(C(=O)Cn2ncnn2)C[C@H]1C[NH+](C)C ZINC001413414662 889979605 /nfs/dbraw/zinc/97/96/05/889979605.db2.gz VDSKGGORAARJBR-VXGBXAGGSA-N 2 0 295.391 -1.129 20 0 CAADRP C[N@@H+]1CC[C@H](C(=O)NCCN2CC[NH+](CCO)CC2)C1 ZINC001417929004 890178301 /nfs/dbraw/zinc/17/83/01/890178301.db2.gz OCOQTVLOJIFCQT-ZDUSSCGKSA-N 2 0 284.404 -1.336 20 0 CAADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001418036548 890185781 /nfs/dbraw/zinc/18/57/81/890185781.db2.gz BPOCMKSBEHDOME-VHSXEESVSA-N 2 0 297.359 -1.534 20 0 CAADRP C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001418036544 890185914 /nfs/dbraw/zinc/18/59/14/890185914.db2.gz BPOCMKSBEHDOME-UWVGGRQHSA-N 2 0 297.359 -1.534 20 0 CAADRP C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]CC(=O)NC(N)=O ZINC001418320656 890210539 /nfs/dbraw/zinc/21/05/39/890210539.db2.gz VJVOPVLUMFDYNY-IUCAKERBSA-N 2 0 285.348 -1.773 20 0 CAADRP C[C@@H](CNC(=O)CC[NH+](C)C)C[NH2+]CC(=O)NC(N)=O ZINC001419525340 890331838 /nfs/dbraw/zinc/33/18/38/890331838.db2.gz ZIMYIFOOILBXKY-SECBINFHSA-N 2 0 287.364 -1.525 20 0 CAADRP C[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)C[NH2+]CC(=O)NC(N)=O ZINC001419553992 890333575 /nfs/dbraw/zinc/33/35/75/890333575.db2.gz YVBYVUUYCCETOR-UWVGGRQHSA-N 2 0 299.375 -1.525 20 0 CAADRP C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)C[NH2+]CC(=O)NC(N)=O ZINC001419554004 890334198 /nfs/dbraw/zinc/33/41/98/890334198.db2.gz YVBYVUUYCCETOR-ZJUUUORDSA-N 2 0 299.375 -1.525 20 0 CAADRP CNC(=O)NC(=O)C[NH2+][C@@H](C)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001419919120 890362187 /nfs/dbraw/zinc/36/21/87/890362187.db2.gz IASJNSQRZXTOIN-VHSXEESVSA-N 2 0 299.375 -1.512 20 0 CAADRP C[C@H](CNC(=O)C[NH+]1CCCC1)[NH2+]CC(=O)NC(N)=O ZINC001419927792 890364669 /nfs/dbraw/zinc/36/46/69/890364669.db2.gz SMRFEBVHAMNUNO-SECBINFHSA-N 2 0 285.348 -1.629 20 0 CAADRP CC(C)[N@H+](C)CC(=O)NC[C@@H](C)[NH2+]CC(=O)NC(N)=O ZINC001419933016 890367156 /nfs/dbraw/zinc/36/71/56/890367156.db2.gz HXIMDFZIGKJPJD-SECBINFHSA-N 2 0 287.364 -1.384 20 0 CAADRP C[C@H]([NH2+][C@H]1CCN(C(=O)CC[NH+](C)C)C1)C(=O)NC(N)=O ZINC001419968886 890370296 /nfs/dbraw/zinc/37/02/96/890370296.db2.gz PRMDQEPSROZPRR-UWVGGRQHSA-N 2 0 299.375 -1.288 20 0 CAADRP C[C@@H]([NH2+]C[C@H](O)CNC(=O)C[N@H+](C)C1CCC1)C(N)=O ZINC001420137736 890398759 /nfs/dbraw/zinc/39/87/59/890398759.db2.gz KIKFPYSQWJXBAF-KOLCDFICSA-N 2 0 286.376 -1.589 20 0 CAADRP C[C@@H]([NH2+]C[C@@H](O)CNC(=O)C[N@H+](C)C1CCC1)C(N)=O ZINC001420137737 890398895 /nfs/dbraw/zinc/39/88/95/890398895.db2.gz KIKFPYSQWJXBAF-MWLCHTKSSA-N 2 0 286.376 -1.589 20 0 CAADRP C[C@H]([NH2+]C[C@H](O)CNC(=O)C[N@H+](C)C1CCC1)C(N)=O ZINC001420137738 890399279 /nfs/dbraw/zinc/39/92/79/890399279.db2.gz KIKFPYSQWJXBAF-ONGXEEELSA-N 2 0 286.376 -1.589 20 0 CAADRP C[C@@H](O)C[NH2+]C[C@H](O)CNC(=O)C1(C[NH+](C)C)CC1 ZINC001420148494 890404334 /nfs/dbraw/zinc/40/43/34/890404334.db2.gz CAAQHVMFJIEQRG-MNOVXSKESA-N 2 0 273.377 -1.224 20 0 CAADRP Cn1nncc1C[NH2+]C[C@@H](O)CNC(=O)C[NH+]1CCCC1 ZINC001420194793 890411416 /nfs/dbraw/zinc/41/14/16/890411416.db2.gz XEMWMFATNGDVOS-GFCCVEGCSA-N 2 0 296.375 -1.522 20 0 CAADRP C[N@@H+]1CC[C@@H](C(=O)NC[C@H](O)C[NH2+]CC(=O)NC2CC2)C1 ZINC001420195983 890411693 /nfs/dbraw/zinc/41/16/93/890411693.db2.gz ZGKBOFHEWQKFGY-ZYHUDNBSSA-N 2 0 298.387 -1.717 20 0 CAADRP Cn1nncc1C[NH2+]C[C@H](O)CNC(=O)C[NH+]1CCCC1 ZINC001420194794 890411882 /nfs/dbraw/zinc/41/18/82/890411882.db2.gz XEMWMFATNGDVOS-LBPRGKRZSA-N 2 0 296.375 -1.522 20 0 CAADRP CNC(=O)[C@@H](C)[NH2+]C[C@H](O)CNC(=O)C[N@H+](C)C(C)C ZINC001420215378 890417926 /nfs/dbraw/zinc/41/79/26/890417926.db2.gz ORISDOCPVLNYJF-MNOVXSKESA-N 2 0 288.392 -1.472 20 0 CAADRP C[C@@H](C[NH2+]CC(=O)NC(N)=O)NC(=O)CC[NH+](C)C ZINC001420461315 890444338 /nfs/dbraw/zinc/44/43/38/890444338.db2.gz CBEOKUGSLGSLHN-QMMMGPOBSA-N 2 0 273.337 -1.773 20 0 CAADRP CN1CCO[C@H](C(=O)NCC2(O)CN(CC3CC3)C2)C1 ZINC001421427781 890510116 /nfs/dbraw/zinc/51/01/16/890510116.db2.gz QVGJYHFBLCJCBO-LBPRGKRZSA-N 2 0 283.372 -1.110 20 0 CAADRP CN1CCO[C@@H](C(=O)NCC2(O)CN(CC3CC3)C2)C1 ZINC001421427779 890511179 /nfs/dbraw/zinc/51/11/79/890511179.db2.gz QVGJYHFBLCJCBO-GFCCVEGCSA-N 2 0 283.372 -1.110 20 0 CAADRP C[N@@H+]1CCC[C@H]1C(=O)N(CCO)CC[NH2+][C@@H]1CCNC1=O ZINC001421635730 890522556 /nfs/dbraw/zinc/52/25/56/890522556.db2.gz MULTZTVSJWDKSQ-NEPJUHHUSA-N 2 0 298.387 -1.620 20 0 CAADRP C[N@@H+]1CCCC[C@@H]1C(=O)N1CCO[C@H](C[NH2+]CC(N)=O)C1 ZINC001421788112 890531413 /nfs/dbraw/zinc/53/14/13/890531413.db2.gz IEJWELURHQTAQQ-VXGBXAGGSA-N 2 0 298.387 -1.227 20 0 CAADRP C[C@H](C[NH2+]CC(=O)NC(N)=O)N(C)C(=O)C[NH+]1CCCC1 ZINC001421983710 890545832 /nfs/dbraw/zinc/54/58/32/890545832.db2.gz BYNROMOPXHMHKM-SNVBAGLBSA-N 2 0 299.375 -1.286 20 0 CAADRP C[NH+](C)CCC(=O)NC1(CO)CC[NH+](CCO)CC1 ZINC001422192126 890555815 /nfs/dbraw/zinc/55/58/15/890555815.db2.gz AXGISFZMEQHQNQ-UHFFFAOYSA-N 2 0 273.377 -1.127 20 0 CAADRP Cn1cncc1C[NH2+]C[C@@H](O)CNC(=O)CC[NH+](C)C ZINC001422348961 890581219 /nfs/dbraw/zinc/58/12/19/890581219.db2.gz PXELQVTYRGJZLJ-GFCCVEGCSA-N 2 0 283.376 -1.062 20 0 CAADRP CN(C)C(=O)C[NH2+]C[C@H](O)CNC(=O)C12CC[NH+](CC1)C2 ZINC001422393786 890587180 /nfs/dbraw/zinc/58/71/80/890587180.db2.gz DUXRSCCPORZYRU-NSHDSACASA-N 2 0 298.387 -1.763 20 0 CAADRP CN1CC[C@@H]([NH2+]C[C@H](O)CNC(=O)C[NH+]2CCCC2)C1=O ZINC001422399353 890588680 /nfs/dbraw/zinc/58/86/80/890588680.db2.gz BAQWBPZLMKARHO-NWDGAFQWSA-N 2 0 298.387 -1.620 20 0 CAADRP Cn1cncc1C[NH2+]C[C@H](O)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001422399347 890588736 /nfs/dbraw/zinc/58/87/36/890588736.db2.gz AXPPWZMVLYLVCP-YPMHNXCESA-N 2 0 295.387 -1.062 20 0 CAADRP Cn1ccc(C[NH2+]C[C@@H](O)CNC(=O)[C@H]2CC[N@H+](C)C2)n1 ZINC001422403108 890591810 /nfs/dbraw/zinc/59/18/10/890591810.db2.gz LGGVQHQNHDTMPD-WCQYABFASA-N 2 0 295.387 -1.062 20 0 CAADRP CNC(=O)NC(=O)C[NH2+]C[C@H](C)NC(=O)C[NH+]1CCCC1 ZINC001422749718 890614466 /nfs/dbraw/zinc/61/44/66/890614466.db2.gz VNOKPUVTSURPDF-JTQLQIEISA-N 2 0 299.375 -1.368 20 0 CAADRP C[NH+](C)CCC(=O)N[C@H]1C[C@H](C[NH2+]CC(=O)NC(N)=O)C1 ZINC001422920433 890620087 /nfs/dbraw/zinc/62/00/87/890620087.db2.gz WTZULPZTYZCIJM-MGCOHNPYSA-N 2 0 299.375 -1.383 20 0 CAADRP C[C@@H](O)C[NH2+][C@@H](CO)CNC(=O)C1CC[NH+](C)CC1 ZINC001423255924 890653603 /nfs/dbraw/zinc/65/36/03/890653603.db2.gz CVBIHXUIAGIIRK-ZYHUDNBSSA-N 2 0 273.377 -1.224 20 0 CAADRP C[C@H]1C[C@@H](C(=O)NC[C@@H](CO)[NH2+]CCO)CC[N@@H+]1C ZINC001423253972 890654700 /nfs/dbraw/zinc/65/47/00/890654700.db2.gz DKIVHODBEZXRRL-SRVKXCTJSA-N 2 0 273.377 -1.224 20 0 CAADRP CC(C)[N@H+](C)CC(=O)NC[C@@H](CO)[NH2+][C@@H]1CCNC1=O ZINC001423306995 890663485 /nfs/dbraw/zinc/66/34/85/890663485.db2.gz YAXUDCIXPOWFCU-WDEREUQCSA-N 2 0 286.376 -1.718 20 0 CAADRP CC(C)[N@H+](C)CC(=O)NC[C@H](CO)[NH2+][C@H]1CCNC1=O ZINC001423306989 890664041 /nfs/dbraw/zinc/66/40/41/890664041.db2.gz YAXUDCIXPOWFCU-MNOVXSKESA-N 2 0 286.376 -1.718 20 0 CAADRP O=C(NC[C@]1(O)CC[N@@H+](CCO)C1)[C@@H]1C[NH+]2CCC1CC2 ZINC001423768420 890692132 /nfs/dbraw/zinc/69/21/32/890692132.db2.gz TYMXWNLUCMLZDF-UKRRQHHQSA-N 2 0 297.399 -1.127 20 0 CAADRP C[C@@H]1[C@H](C(=O)N2CCO[C@@H](C[NH2+]CC(N)=O)C2)CC[N@@H+]1C ZINC001424223558 890721626 /nfs/dbraw/zinc/72/16/26/890721626.db2.gz VRXSECLGRZRVPC-GRYCIOLGSA-N 2 0 298.387 -1.371 20 0 CAADRP C[C@@H]1[C@H](C(=O)N2CCO[C@H](C[NH2+]CC(N)=O)C2)CC[N@@H+]1C ZINC001424223561 890723891 /nfs/dbraw/zinc/72/38/91/890723891.db2.gz VRXSECLGRZRVPC-IJLUTSLNSA-N 2 0 298.387 -1.371 20 0 CAADRP CC(C)[N@H+](C)CC(=O)N1CCO[C@@H](C[NH2+]CC(N)=O)C1 ZINC001424245217 890725288 /nfs/dbraw/zinc/72/52/88/890725288.db2.gz WHMHOLDNMVYLJG-NSHDSACASA-N 2 0 286.376 -1.371 20 0 CAADRP CNC(=O)C[NH2+]C[C@H]1CN(C(=O)C[NH+]2CCCC2)CCO1 ZINC001424238958 890725847 /nfs/dbraw/zinc/72/58/47/890725847.db2.gz LVUJLZJUUHHWBP-LBPRGKRZSA-N 2 0 298.387 -1.355 20 0 CAADRP CC(C)[N@H+](C)CC(=O)N1CCO[C@H](C[NH2+]CC(N)=O)C1 ZINC001424245213 890727802 /nfs/dbraw/zinc/72/78/02/890727802.db2.gz WHMHOLDNMVYLJG-LLVKDONJSA-N 2 0 286.376 -1.371 20 0 CAADRP C[N@@H+]1CC[C@H](C(=O)NC2(C[NH2+]CC(N)=O)CCOCC2)C1 ZINC001424440288 890734447 /nfs/dbraw/zinc/73/44/47/890734447.db2.gz RSVNHFPLIPQKIP-NSHDSACASA-N 2 0 298.387 -1.322 20 0 CAADRP C[NH+](C)CC1(C(=O)NC[C@H](CO)[NH2+][C@H]2CCNC2=O)CC1 ZINC001425789047 890818154 /nfs/dbraw/zinc/81/81/54/890818154.db2.gz AMEVAZBYZLTZJE-MNOVXSKESA-N 2 0 298.387 -1.717 20 0 CAADRP COC[C@H](O)C[NH2+][C@@H](CO)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001425786044 890819175 /nfs/dbraw/zinc/81/91/75/890819175.db2.gz ARDDIJXTAAHXEI-IJLUTSLNSA-N 2 0 289.376 -1.845 20 0 CAADRP C[C@H]([NH2+][C@H](CO)CNC(=O)CC[NH+](C)C)C(=O)N(C)C ZINC001425813712 890825000 /nfs/dbraw/zinc/82/50/00/890825000.db2.gz ZYBVFOVCGUHGHK-QWRGUYRKSA-N 2 0 288.392 -1.519 20 0 CAADRP CCC[N@H+](C)CC(=O)NC[C@H](CO)[NH2+][C@H]1CCNC1=O ZINC001425840069 890830445 /nfs/dbraw/zinc/83/04/45/890830445.db2.gz MBUCMXOKNAOSFR-MNOVXSKESA-N 2 0 286.376 -1.717 20 0 CAADRP O=C(C[NH+]1CCCC1)NC[C@@H](CO)[NH2+][C@@H]1CCCNC1=O ZINC001425844954 890833728 /nfs/dbraw/zinc/83/37/28/890833728.db2.gz VOGGPGFOGQTMEC-NWDGAFQWSA-N 2 0 298.387 -1.573 20 0 CAADRP C[NH+](C)C[C@@H]1CN(C(=O)C2(O)COC2)C[C@H]1C[NH+](C)C ZINC001434281893 891097407 /nfs/dbraw/zinc/09/74/07/891097407.db2.gz JTWFSTPMRKQMCW-VXGBXAGGSA-N 2 0 285.388 -1.055 20 0 CAADRP C[N@@H+]1CCC[C@H]1C(=O)NCCN1CC[NH+](CCO)CC1 ZINC001436699031 891153365 /nfs/dbraw/zinc/15/33/65/891153365.db2.gz JTLBYUKTYMEFRL-ZDUSSCGKSA-N 2 0 284.404 -1.193 20 0 CAADRP NC(=O)NC(=O)C[NH2+][C@H]1C[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001436932652 891158608 /nfs/dbraw/zinc/15/86/08/891158608.db2.gz WHOXEEGCAFWZCZ-MGCOHNPYSA-N 2 0 297.359 -1.486 20 0 CAADRP C[C@H](CNC(=O)CC[NH+](C)C)[NH2+][C@@H](C)C(=O)NC(N)=O ZINC001437196915 891168491 /nfs/dbraw/zinc/16/84/91/891168491.db2.gz FYXBVJBTASRZFW-BDAKNGLRSA-N 2 0 287.364 -1.384 20 0 CAADRP C[C@@H]([NH2+][C@@H](C)CNC(=O)CC[NH+](C)C)C(=O)NC(N)=O ZINC001437196920 891169130 /nfs/dbraw/zinc/16/91/30/891169130.db2.gz FYXBVJBTASRZFW-DTWKUNHWSA-N 2 0 287.364 -1.384 20 0 CAADRP CC[C@@H](C(=O)NC[C@H](C)[NH2+]CC(=O)NC(N)=O)[NH+](C)C ZINC001437233896 891170645 /nfs/dbraw/zinc/17/06/45/891170645.db2.gz GXXLDUMWNFJIOT-IUCAKERBSA-N 2 0 287.364 -1.384 20 0 CAADRP C[C@H]([NH2+]CCN(C)C(=O)[C@H]1CC[N@H+](C)C1)C(=O)NC(N)=O ZINC001437851335 891195577 /nfs/dbraw/zinc/19/55/77/891195577.db2.gz XFVJOCFWRUHHBU-UWVGGRQHSA-N 2 0 299.375 -1.431 20 0 CAADRP COC[C@@H](O)C[NH+]1CC(CNC(=O)CC[NH+](C)C)C1 ZINC001438136292 891207041 /nfs/dbraw/zinc/20/70/41/891207041.db2.gz WLZBTZSUNHSDFP-LBPRGKRZSA-N 2 0 273.377 -1.007 20 0 CAADRP C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H](O)C[NH2+]CC(N)=O ZINC001438997956 891258425 /nfs/dbraw/zinc/25/84/25/891258425.db2.gz IJQVWIYBPGQZNY-VHSXEESVSA-N 2 0 272.349 -1.977 20 0 CAADRP NC(=O)C[NH2+]C[C@H](O)CNC(=O)C12CCC[NH+]1CCC2 ZINC001439006433 891265166 /nfs/dbraw/zinc/26/51/66/891265166.db2.gz ZUJVCHBHZGWOEI-JTQLQIEISA-N 2 0 284.360 -1.833 20 0 CAADRP O=C(C[NH+]1CCCC1)NC[C@@H](O)C[NH2+][C@@H]1CCCNC1=O ZINC001439060100 891278693 /nfs/dbraw/zinc/27/86/93/891278693.db2.gz RQHAKMSIUJKKLW-NWDGAFQWSA-N 2 0 298.387 -1.573 20 0 CAADRP CC(C)[N@H+](C)CC(=O)NC[C@@H](O)C[NH2+][C@@H](C)C(N)=O ZINC001439060557 891280446 /nfs/dbraw/zinc/28/04/46/891280446.db2.gz UZPGNIYJMMLCTR-UWVGGRQHSA-N 2 0 274.365 -1.733 20 0 CAADRP C[C@H](C[NH2+]CC(=O)NC(N)=O)NC(=O)C[N@H+](C)C1CCC1 ZINC001439121559 891284977 /nfs/dbraw/zinc/28/49/77/891284977.db2.gz YAVOHTAZLKGNCI-SECBINFHSA-N 2 0 299.375 -1.240 20 0 CAADRP C[C@H](C[NH2+][C@H](C)C(=O)NC(N)=O)NC(=O)C[NH+]1CCCC1 ZINC001439178498 891289178 /nfs/dbraw/zinc/28/91/78/891289178.db2.gz BHERLQYECYCSOW-NXEZZACHSA-N 2 0 299.375 -1.240 20 0 CAADRP C[N@@H+]1CC[C@H](C(=O)N[C@@]2(CO)CCC[NH+](CCO)C2)C1 ZINC001440186136 891358760 /nfs/dbraw/zinc/35/87/60/891358760.db2.gz BBHNQSQBURLUQG-JSGCOSHPSA-N 2 0 285.388 -1.127 20 0 CAADRP CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)CCO1 ZINC001440375747 891369214 /nfs/dbraw/zinc/36/92/14/891369214.db2.gz MSFYEIBYPNYQSP-VXGBXAGGSA-N 2 0 298.387 -1.356 20 0 CAADRP CNC(=O)C[NH2+]C[C@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)CCO1 ZINC001440375744 891370855 /nfs/dbraw/zinc/37/08/55/891370855.db2.gz MSFYEIBYPNYQSP-RYUDHWBXSA-N 2 0 298.387 -1.356 20 0 CAADRP C[N@@H+]1CC[C@H](CC(=O)N2CCO[C@@H](C[NH2+]CC(N)=O)C2)C1 ZINC001440378729 891371028 /nfs/dbraw/zinc/37/10/28/891371028.db2.gz VAHPJYFJRAPBIW-NEPJUHHUSA-N 2 0 298.387 -1.370 20 0 CAADRP C[N@@H+]1CC[C@@H](CC(=O)N2CCO[C@@H](C[NH2+]CC(N)=O)C2)C1 ZINC001440378732 891372055 /nfs/dbraw/zinc/37/20/55/891372055.db2.gz VAHPJYFJRAPBIW-RYUDHWBXSA-N 2 0 298.387 -1.370 20 0 CAADRP C[N@@H+]1CC[C@@H](C(=O)N2CCC[C@@](CO)([NH2+]CC(N)=O)C2)C1 ZINC001440554581 891375200 /nfs/dbraw/zinc/37/52/00/891375200.db2.gz NEEMZRKFAJMHDR-BXUZGUMPSA-N 2 0 298.387 -1.634 20 0 CAADRP NC(=O)C[NH2+]CC1(O)CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001440638911 891376933 /nfs/dbraw/zinc/37/69/33/891376933.db2.gz JDJDBDRLZXPKHK-UHFFFAOYSA-N 2 0 298.387 -1.489 20 0 CAADRP C[C@@H]([NH2+]CC(N)=O)[C@H]1CN(C(=O)C[NH+]2CCCC2)CCO1 ZINC001441330425 891407301 /nfs/dbraw/zinc/40/73/01/891407301.db2.gz OCTMINICCIDUFH-VXGBXAGGSA-N 2 0 298.387 -1.227 20 0 CAADRP C[C@H]([NH2+]CC(N)=O)[C@@H]1CN(C(=O)C[NH+]2CCCC2)CCO1 ZINC001441330424 891407837 /nfs/dbraw/zinc/40/78/37/891407837.db2.gz OCTMINICCIDUFH-RYUDHWBXSA-N 2 0 298.387 -1.227 20 0 CAADRP CC[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]CC(=O)NC(N)=O)C1)[NH+](C)C ZINC001441401921 891410031 /nfs/dbraw/zinc/41/00/31/891410031.db2.gz HFHRRBWEDDBJJO-GUBZILKMSA-N 2 0 299.375 -1.242 20 0 CAADRP C[C@H](CN(C)C(=O)[C@H]1CC[N@H+](C)C1)[NH2+]CC(=O)NC(N)=O ZINC001441661077 891422719 /nfs/dbraw/zinc/42/27/19/891422719.db2.gz SKCKUPYARDICSN-ZJUUUORDSA-N 2 0 299.375 -1.431 20 0 CAADRP C[C@H](CN(C)C(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]CC(=O)NC(N)=O ZINC001441661069 891423064 /nfs/dbraw/zinc/42/30/64/891423064.db2.gz SKCKUPYARDICSN-NXEZZACHSA-N 2 0 299.375 -1.431 20 0 CAADRP CNC(=O)C[NH2+][C@H](CO)CNC(=O)C1CC[NH+](C)CC1 ZINC001441753625 891444432 /nfs/dbraw/zinc/44/44/32/891444432.db2.gz VQCHADSMERJZCR-NSHDSACASA-N 2 0 286.376 -1.859 20 0 CAADRP CNC(=O)C[NH2+][C@@H](CO)CNC(=O)C1CC[NH+](C)CC1 ZINC001441753620 891445083 /nfs/dbraw/zinc/44/50/83/891445083.db2.gz VQCHADSMERJZCR-LLVKDONJSA-N 2 0 286.376 -1.859 20 0 CAADRP CNC(=O)C[NH2+][C@@H](CO)CNC(=O)C12CC[NH+](CC1)C2 ZINC001441781593 891451503 /nfs/dbraw/zinc/45/15/03/891451503.db2.gz FWNNGMSSYWTQSU-SNVBAGLBSA-N 2 0 284.360 -2.105 20 0 CAADRP CC[C@@H]([NH2+][C@@H](CO)CNC(=O)C12CC[NH+](CC1)C2)C(N)=O ZINC001441797791 891453742 /nfs/dbraw/zinc/45/37/42/891453742.db2.gz WWRKSZKCWCIPSX-GHMZBOCLSA-N 2 0 298.387 -1.587 20 0 CAADRP C[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]CC(=O)NC(N)=O ZINC001441795618 891454322 /nfs/dbraw/zinc/45/43/22/891454322.db2.gz XAPDEZQJJBADRO-IUCAKERBSA-N 2 0 285.348 -1.630 20 0 CAADRP CC[C@@H]([NH2+][C@H](CO)CNC(=O)C12CC[NH+](CC1)C2)C(N)=O ZINC001441797807 891455228 /nfs/dbraw/zinc/45/52/28/891455228.db2.gz WWRKSZKCWCIPSX-WDEREUQCSA-N 2 0 298.387 -1.587 20 0 CAADRP C[C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)[NH2+]CC(=O)NC(N)=O ZINC001441852723 891458786 /nfs/dbraw/zinc/45/87/86/891458786.db2.gz LYDWDBTYLPDQTI-VHSXEESVSA-N 2 0 299.375 -1.240 20 0 CAADRP C[C@H](CNC(=O)C1(C[NH+](C)C)CC1)[NH2+]CC(=O)NC(N)=O ZINC001441951931 891464606 /nfs/dbraw/zinc/46/46/06/891464606.db2.gz YWNZQUQNSBVXQC-SECBINFHSA-N 2 0 299.375 -1.383 20 0 CAADRP C[C@@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)[NH2+]CC(=O)NC(N)=O ZINC001441942488 891465780 /nfs/dbraw/zinc/46/57/80/891465780.db2.gz CJUROZJICNZOMF-ZJUUUORDSA-N 2 0 299.375 -1.383 20 0 CAADRP CC[N@H+](C)CCC(=O)NC[C@H](C)[NH2+]CC(=O)NC(N)=O ZINC001442010161 891475987 /nfs/dbraw/zinc/47/59/87/891475987.db2.gz PKYHQOPUNGOUOQ-VIFPVBQESA-N 2 0 287.364 -1.383 20 0 CAADRP CN(C[C@@H](O)C[NH2+]CC(N)=O)C(=O)C12CC[NH+](CC1)C2 ZINC001442036491 891477054 /nfs/dbraw/zinc/47/70/54/891477054.db2.gz HXAOIRZWPJNBKV-JTQLQIEISA-N 2 0 284.360 -2.024 20 0 CAADRP CCC[N@H+](C)CC(=O)NC[C@H](C)[NH2+]CC(=O)NC(N)=O ZINC001442008609 891477267 /nfs/dbraw/zinc/47/72/67/891477267.db2.gz FFUAFCLZEUYFNK-VIFPVBQESA-N 2 0 287.364 -1.383 20 0 CAADRP C[C@@H](CNC(=O)C[NH+]1CCCC1)C[NH2+]CC(=O)NC(N)=O ZINC001444400199 891572987 /nfs/dbraw/zinc/57/29/87/891572987.db2.gz AVUDWKNQVLJWGA-SNVBAGLBSA-N 2 0 299.375 -1.381 20 0 CAADRP C[C@@H](C[NH2+]Cc1nc(=O)n(C)[nH]1)N(C)C(=O)CC[NH+](C)C ZINC001444664969 891584456 /nfs/dbraw/zinc/58/44/56/891584456.db2.gz KQZHQFXUMOBWEQ-JTQLQIEISA-N 2 0 298.391 -1.003 20 0 CAADRP NC(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001445176053 891613222 /nfs/dbraw/zinc/61/32/22/891613222.db2.gz GSNSJGAUBBGXKL-MNOVXSKESA-N 2 0 284.360 -2.120 20 0 CAADRP CC[C@@H]1[C@@H](C(=O)NC[C@@H](O)C[NH2+]CC(N)=O)CC[N@@H+]1C ZINC001445181549 891613775 /nfs/dbraw/zinc/61/37/75/891613775.db2.gz KMQMNMXNFXFHIV-GARJFASQSA-N 2 0 286.376 -1.731 20 0 CAADRP C[NH+](C)CCC(=O)NC[C@H](O)C[NH2+][C@@H]1CCCNC1=O ZINC001445224998 891620828 /nfs/dbraw/zinc/62/08/28/891620828.db2.gz LWQLKSNZKLJYEO-GHMZBOCLSA-N 2 0 286.376 -1.717 20 0 CAADRP CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001445273811 891623741 /nfs/dbraw/zinc/62/37/41/891623741.db2.gz RELCYWSBIKYRIR-WDEREUQCSA-N 2 0 286.376 -1.859 20 0 CAADRP C[C@@H](O)C[NH2+]C[C@H](O)CNC(=O)C12CC[NH+](CC1)C2 ZINC001445265819 891624047 /nfs/dbraw/zinc/62/40/47/891624047.db2.gz WJOVNIITTXPUAB-MNOVXSKESA-N 2 0 271.361 -1.470 20 0 CAADRP CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001445273803 891625746 /nfs/dbraw/zinc/62/57/46/891625746.db2.gz RELCYWSBIKYRIR-MNOVXSKESA-N 2 0 286.376 -1.859 20 0 CAADRP C[C@H](C[NH2+]CC(N)=O)NC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001445460178 891637236 /nfs/dbraw/zinc/63/72/36/891637236.db2.gz YMBLNLLONCZKHU-SNVBAGLBSA-N 2 0 296.375 -1.362 20 0 CAADRP C[C@H](C[NH2+][C@H](C)C(=O)NC(N)=O)NC(=O)CC[NH+](C)C ZINC001445426662 891637308 /nfs/dbraw/zinc/63/73/08/891637308.db2.gz HKWSRFQLHORBST-RKDXNWHRSA-N 2 0 287.364 -1.384 20 0 CAADRP C[C@H](C[NH2+][C@@H](C)C(=O)NC(N)=O)NC(=O)CC[NH+](C)C ZINC001445426661 891637858 /nfs/dbraw/zinc/63/78/58/891637858.db2.gz HKWSRFQLHORBST-BDAKNGLRSA-N 2 0 287.364 -1.384 20 0 CAADRP CNC(=O)NC(=O)C[NH2+]C[C@@H](C)NC(=O)C[NH+]1CCCC1 ZINC001445506183 891640297 /nfs/dbraw/zinc/64/02/97/891640297.db2.gz VNOKPUVTSURPDF-SNVBAGLBSA-N 2 0 299.375 -1.368 20 0 CAADRP C[C@@H](C[NH2+][C@@H](C)C(=O)NC(N)=O)NC(=O)C[NH+]1CCCC1 ZINC001445645269 891646327 /nfs/dbraw/zinc/64/63/27/891646327.db2.gz BHERLQYECYCSOW-UWVGGRQHSA-N 2 0 299.375 -1.240 20 0 CAADRP CC[N@H+](C)CCC(=O)NC[C@]1(O)CC[NH+](CCO)C1 ZINC001446811573 891692394 /nfs/dbraw/zinc/69/23/94/891692394.db2.gz YUQVJWDUWZWBQK-CYBMUJFWSA-N 2 0 273.377 -1.127 20 0 CAADRP C[N@H+](CC(=O)N1CCO[C@@H](C[NH2+]CC(N)=O)C1)C1CCC1 ZINC001447288756 891721347 /nfs/dbraw/zinc/72/13/47/891721347.db2.gz RFYPSZYIHMPTFK-LBPRGKRZSA-N 2 0 298.387 -1.227 20 0 CAADRP C[NH+](C)CCC(=O)N1CCC[C@@](CO)([NH2+]CC(N)=O)C1 ZINC001447452571 891727997 /nfs/dbraw/zinc/72/79/97/891727997.db2.gz YMHOKYFDKQBHNB-CYBMUJFWSA-N 2 0 286.376 -1.634 20 0 CAADRP C[N@@H+]1CCC[C@H]1CCC(=O)NC[C@@H](CO)[NH2+]CC(N)=O ZINC001448860871 891794582 /nfs/dbraw/zinc/79/45/82/891794582.db2.gz FAQNBYAZXZSQGM-QWRGUYRKSA-N 2 0 286.376 -1.587 20 0 CAADRP C[N@@H+]1CCC[C@@H]1CCC(=O)NC[C@H](CO)[NH2+]CC(N)=O ZINC001448860837 891794925 /nfs/dbraw/zinc/79/49/25/891794925.db2.gz FAQNBYAZXZSQGM-GHMZBOCLSA-N 2 0 286.376 -1.587 20 0 CAADRP C[NH+]1CCC(C(=O)NC[C@@H](CO)[NH2+][C@H]2CCNC2=O)CC1 ZINC001448887892 891802072 /nfs/dbraw/zinc/80/20/72/891802072.db2.gz LGXSFNAUDWJIHJ-RYUDHWBXSA-N 2 0 298.387 -1.717 20 0 CAADRP C[NH+]1CCC(C(=O)NC[C@H](CO)[NH2+][C@@H]2CCNC2=O)CC1 ZINC001448887897 891802116 /nfs/dbraw/zinc/80/21/16/891802116.db2.gz LGXSFNAUDWJIHJ-VXGBXAGGSA-N 2 0 298.387 -1.717 20 0 CAADRP C[C@H]([NH2+][C@@H](CO)CNC(=O)C1CC[NH+](C)CC1)C(N)=O ZINC001448887756 891802420 /nfs/dbraw/zinc/80/24/20/891802420.db2.gz KVUQBVLSJXNQTO-GXSJLCMTSA-N 2 0 286.376 -1.731 20 0 CAADRP C[C@@H]([NH2+][C@@H](CO)CNC(=O)C1CC[NH+](C)CC1)C(N)=O ZINC001448887763 891802842 /nfs/dbraw/zinc/80/28/42/891802842.db2.gz KVUQBVLSJXNQTO-MWLCHTKSSA-N 2 0 286.376 -1.731 20 0 CAADRP C[C@@H]([NH2+][C@H](CO)CNC(=O)C1(C[NH+](C)C)CC1)C(N)=O ZINC001448894836 891805322 /nfs/dbraw/zinc/80/53/22/891805322.db2.gz LNGINWVXFBJWMW-ZJUUUORDSA-N 2 0 286.376 -1.731 20 0 CAADRP C[C@H]([NH2+][C@@H](CO)CNC(=O)C1(C[NH+](C)C)CC1)C(N)=O ZINC001448894835 891808833 /nfs/dbraw/zinc/80/88/33/891808833.db2.gz LNGINWVXFBJWMW-VHSXEESVSA-N 2 0 286.376 -1.731 20 0 CAADRP CNC(=O)[C@@H](C)[NH2+][C@@H](CO)CNC(=O)C12CC[NH+](CC1)C2 ZINC001448937757 891815307 /nfs/dbraw/zinc/81/53/07/891815307.db2.gz BHNSJLSMOPSVMD-GHMZBOCLSA-N 2 0 298.387 -1.717 20 0 CAADRP C[C@@H]1CC[N@H+](CC(=O)N(C)C[C@H](O)C[NH2+]CC(N)=O)C1 ZINC001449163355 891839249 /nfs/dbraw/zinc/83/92/49/891839249.db2.gz UNHZZTSHSDRMSW-GHMZBOCLSA-N 2 0 286.376 -1.778 20 0 CAADRP CC(C)[N@H+](C)CC(=O)N(C)C[C@@H](O)C[NH2+][C@@H](C)C(N)=O ZINC001449201959 891841102 /nfs/dbraw/zinc/84/11/02/891841102.db2.gz ZMOMGBLWKXTBFE-QWRGUYRKSA-N 2 0 288.392 -1.391 20 0 CAADRP CC(C)[N@H+](C)CC(=O)N(C)C[C@H](O)C[NH2+][C@H](C)C(N)=O ZINC001449201954 891845426 /nfs/dbraw/zinc/84/54/26/891845426.db2.gz ZMOMGBLWKXTBFE-GHMZBOCLSA-N 2 0 288.392 -1.391 20 0 CAADRP C[NH+](C)CCC(=O)NC[C@H]1C[C@@H]([NH2+]CC(N)=O)C1 ZINC001479319730 892472686 /nfs/dbraw/zinc/47/26/86/892472686.db2.gz ROEPAGGKSOEBLO-AOOOYVTPSA-N 2 0 256.350 -1.092 20 0 CAADRP C[N@@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]CC(=O)NC(N)=O)C2)C1 ZINC001480170873 892503901 /nfs/dbraw/zinc/50/39/01/892503901.db2.gz GUUXTKHBMRDXAH-OPRDCNLKSA-N 2 0 297.359 -1.630 20 0 CAADRP CCC[N@H+](C)CC(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001480234149 892508474 /nfs/dbraw/zinc/50/84/74/892508474.db2.gz XLSHZFKRCFUEFP-AOOOYVTPSA-N 2 0 299.375 -1.240 20 0 CAADRP CNC(=O)NC(=O)C[NH2+][C@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001480436843 892514183 /nfs/dbraw/zinc/51/41/83/892514183.db2.gz YNSNQLZQMHBVRK-ZJUUUORDSA-N 2 0 299.375 -1.370 20 0 CAADRP C[C@H](CNC(=O)C1([NH+](C)C)CCC1)[NH2+]CC(=O)NC(N)=O ZINC001480475578 892521556 /nfs/dbraw/zinc/52/15/56/892521556.db2.gz RSVZEGGVRMZZIL-SECBINFHSA-N 2 0 299.375 -1.240 20 0 CAADRP C[C@@H](CNC(=O)C1([NH+](C)C)CCC1)[NH2+]CC(=O)NC(N)=O ZINC001480475580 892523222 /nfs/dbraw/zinc/52/32/22/892523222.db2.gz RSVZEGGVRMZZIL-VIFPVBQESA-N 2 0 299.375 -1.240 20 0 CAADRP C[C@@H](CNC(=O)c1cnn(CC[NH+](C)C)c1)[NH2+]CC(N)=O ZINC001480551979 892530238 /nfs/dbraw/zinc/53/02/38/892530238.db2.gz AUULUXRKNZYXIV-JTQLQIEISA-N 2 0 296.375 -1.362 20 0 CAADRP C[C@@H]([NH2+]CCN(C)C(=O)CC[NH+](C)C)C(=O)NC(N)=O ZINC001481276744 892594110 /nfs/dbraw/zinc/59/41/10/892594110.db2.gz FQQKXGOWQCUYAE-SECBINFHSA-N 2 0 287.364 -1.431 20 0 CAADRP CCC[N@H+](C)CC(=O)N(C)CC[NH2+]CC(=O)NC(N)=O ZINC001481306219 892598269 /nfs/dbraw/zinc/59/82/69/892598269.db2.gz IFFGKHCPVPKNOJ-UHFFFAOYSA-N 2 0 287.364 -1.429 20 0 CAADRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](O)C[NH2+]CC(N)=O ZINC001482715695 892670442 /nfs/dbraw/zinc/67/04/42/892670442.db2.gz ILDKKCROPDDYMQ-DTWKUNHWSA-N 2 0 258.322 -2.367 20 0 CAADRP C[N@@H+]1CCC[C@H]1C(=O)NC[C@H](O)C[NH2+]CC(N)=O ZINC001482715694 892671483 /nfs/dbraw/zinc/67/14/83/892671483.db2.gz ILDKKCROPDDYMQ-BDAKNGLRSA-N 2 0 258.322 -2.367 20 0 CAADRP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@H](O)C[NH2+]CCO ZINC001482758978 892688735 /nfs/dbraw/zinc/68/87/35/892688735.db2.gz NOEATWSGEUFBIA-MNOVXSKESA-N 2 0 259.350 -1.470 20 0 CAADRP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H](O)C[NH2+]CCO ZINC001482758979 892689215 /nfs/dbraw/zinc/68/92/15/892689215.db2.gz NOEATWSGEUFBIA-QWRGUYRKSA-N 2 0 259.350 -1.470 20 0 CAADRP CNC(=O)C[NH2+]C[C@H](O)CNC(=O)CC[NH+](C)C ZINC001482764263 892691108 /nfs/dbraw/zinc/69/11/08/892691108.db2.gz MPINYFBZGYPLPF-VIFPVBQESA-N 2 0 260.338 -2.249 20 0 CAADRP C[NH+](C)CC1(C(=O)NC[C@H](O)C[NH2+][C@@H]2CCNC2=O)CC1 ZINC001482763500 892691181 /nfs/dbraw/zinc/69/11/81/892691181.db2.gz VOKYZWOHXGRVQA-GHMZBOCLSA-N 2 0 298.387 -1.717 20 0 CAADRP CNC(=O)[C@H](C)[NH2+]C[C@H](O)CNC(=O)CC[NH+](C)C ZINC001482764069 892691337 /nfs/dbraw/zinc/69/13/37/892691337.db2.gz IZJGBNDTNGKCCE-UWVGGRQHSA-N 2 0 274.365 -1.861 20 0 CAADRP C[NH+](C)CC1(C(=O)NC[C@H](O)C[NH2+][C@H]2CCNC2=O)CC1 ZINC001482763501 892691527 /nfs/dbraw/zinc/69/15/27/892691527.db2.gz VOKYZWOHXGRVQA-MNOVXSKESA-N 2 0 298.387 -1.717 20 0 CAADRP CNC(=O)[C@@H](C)[NH2+]C[C@@H](O)CNC(=O)CC[NH+](C)C ZINC001482764068 892692051 /nfs/dbraw/zinc/69/20/51/892692051.db2.gz IZJGBNDTNGKCCE-NXEZZACHSA-N 2 0 274.365 -1.861 20 0 CAADRP C[NH+](C)CC1(C(=O)NC[C@@H](O)C[NH2+]CCO)CC1 ZINC001482763600 892692267 /nfs/dbraw/zinc/69/22/67/892692267.db2.gz XZQSYWPHEJGMGJ-JTQLQIEISA-N 2 0 259.350 -1.613 20 0 CAADRP C[C@@H]1CC[N@H+](CC(=O)NC[C@@H](O)C[NH2+]CC(N)=O)C1 ZINC001482767486 892695172 /nfs/dbraw/zinc/69/51/72/892695172.db2.gz NNAUXWQSHDOCJA-ZJUUUORDSA-N 2 0 272.349 -2.120 20 0 CAADRP C[NH+]1CCC(CC(=O)NC[C@@H](O)C[NH2+]CC(N)=O)CC1 ZINC001482774641 892698848 /nfs/dbraw/zinc/69/88/48/892698848.db2.gz LXZZRLBVSNORFU-NSHDSACASA-N 2 0 286.376 -1.730 20 0 CAADRP C[C@H](O)C[NH2+]C[C@@H](O)CNC(=O)C[NH+]1CCCC1 ZINC001482791680 892705701 /nfs/dbraw/zinc/70/57/01/892705701.db2.gz DOTZJZORWSCSBY-WDEREUQCSA-N 2 0 259.350 -1.470 20 0 CAADRP CC[C@@H]([NH2+]C[C@@H](O)CNC(=O)C12CC[NH+](CC1)C2)C(N)=O ZINC001482786560 892700737 /nfs/dbraw/zinc/70/07/37/892700737.db2.gz TVWOJTLITJOOKX-GHMZBOCLSA-N 2 0 298.387 -1.587 20 0 CAADRP CC[C@H]([NH2+]C[C@@H](O)CNC(=O)C12CC[NH+](CC1)C2)C(N)=O ZINC001482786561 892703052 /nfs/dbraw/zinc/70/30/52/892703052.db2.gz TVWOJTLITJOOKX-MNOVXSKESA-N 2 0 298.387 -1.587 20 0 CAADRP C[C@H](O)C[NH2+]C[C@H](O)CNC(=O)C[NH+]1CCCC1 ZINC001482791679 892704069 /nfs/dbraw/zinc/70/40/69/892704069.db2.gz DOTZJZORWSCSBY-QWRGUYRKSA-N 2 0 259.350 -1.470 20 0 CAADRP Cn1ccnc1C[NH2+]C[C@H](O)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001482790446 892704131 /nfs/dbraw/zinc/70/41/31/892704131.db2.gz CHPTUAOSNKUZAF-NEPJUHHUSA-N 2 0 295.387 -1.062 20 0 CAADRP Cn1ccnc1C[NH2+]C[C@H](O)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001482790448 892704296 /nfs/dbraw/zinc/70/42/96/892704296.db2.gz CHPTUAOSNKUZAF-RYUDHWBXSA-N 2 0 295.387 -1.062 20 0 CAADRP CNC(=O)C[NH2+]C[C@H](O)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001482791143 892704640 /nfs/dbraw/zinc/70/46/40/892704640.db2.gz QEDNKTPPSUMHGG-ZJUUUORDSA-N 2 0 272.349 -2.249 20 0 CAADRP CC[C@@H]([NH2+]C[C@H](O)CNC(=O)C12CC[NH+](CC1)C2)C(N)=O ZINC001482786563 892704694 /nfs/dbraw/zinc/70/46/94/892704694.db2.gz TVWOJTLITJOOKX-WDEREUQCSA-N 2 0 298.387 -1.587 20 0 CAADRP CNC(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001482791140 892705099 /nfs/dbraw/zinc/70/50/99/892705099.db2.gz QEDNKTPPSUMHGG-NXEZZACHSA-N 2 0 272.349 -2.249 20 0 CAADRP CC[C@@H]([NH2+]C[C@H](O)CNC(=O)C[NH+]1CCCC1)C(N)=O ZINC001482793725 892705378 /nfs/dbraw/zinc/70/53/78/892705378.db2.gz RMKOOIZCJMODBV-WDEREUQCSA-N 2 0 286.376 -1.587 20 0 CAADRP CC[C@H]([NH2+]C[C@H](O)CNC(=O)C[NH+]1CCCC1)C(N)=O ZINC001482793724 892706534 /nfs/dbraw/zinc/70/65/34/892706534.db2.gz RMKOOIZCJMODBV-QWRGUYRKSA-N 2 0 286.376 -1.587 20 0 CAADRP CN(CCC[NH2+]CC(=O)NC(N)=O)C(=O)[C@H]1CCC[N@@H+]1C ZINC001483484757 892765558 /nfs/dbraw/zinc/76/55/58/892765558.db2.gz SQNZFJZZLGLUMF-SNVBAGLBSA-N 2 0 299.375 -1.286 20 0 CAADRP C[N@@H+]1CCC[C@@H]1C(=O)N(CCO)CC[NH2+]CCO ZINC001484478330 892861848 /nfs/dbraw/zinc/86/18/48/892861848.db2.gz MWSOGJLVCWARGU-LLVKDONJSA-N 2 0 259.350 -1.517 20 0 CAADRP O=C([C@H]1C[NH+]2CCC1CC2)N(CCO)CC[NH2+]CCO ZINC001484483745 892869191 /nfs/dbraw/zinc/86/91/91/892869191.db2.gz ZGCNBOIYVZKRGA-ZDUSSCGKSA-N 2 0 285.388 -1.269 20 0 CAADRP O=C(N(CCO)CC[NH2+]CCO)C12CC[NH+](CC1)C2 ZINC001484499437 892870743 /nfs/dbraw/zinc/87/07/43/892870743.db2.gz TYOUBKCNLPGRTM-UHFFFAOYSA-N 2 0 271.361 -1.515 20 0 CAADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCO[C@@H](C[NH2+]CCO)C1 ZINC001484688870 892883697 /nfs/dbraw/zinc/88/36/97/892883697.db2.gz OEKJCESSZKEIJI-NWDGAFQWSA-N 2 0 271.361 -1.110 20 0 CAADRP C[NH+](C)CCC(=O)N1CCO[C@@H](C[NH2+]CCO)C1 ZINC001484687549 892884068 /nfs/dbraw/zinc/88/40/68/892884068.db2.gz LDTJVZXTMLSDMV-NSHDSACASA-N 2 0 259.350 -1.253 20 0 CAADRP C[N@@H+]1CC[C@H](C(=O)N2CCC[C@](CO)([NH2+]CCO)C2)C1 ZINC001484855128 892893077 /nfs/dbraw/zinc/89/30/77/892893077.db2.gz YSXBGMBGJRWLEO-JSGCOSHPSA-N 2 0 285.388 -1.127 20 0 CAADRP CNC(=O)C[NH2+][C@@H](CO)CNC(=O)C1([NH+](C)C)CCC1 ZINC001486001579 892980655 /nfs/dbraw/zinc/98/06/55/892980655.db2.gz JISYBLJNFVLMNG-SNVBAGLBSA-N 2 0 286.376 -1.717 20 0 CAADRP C[NH+](C)CCC(=O)NC[C@@H](CO)[NH2+][C@@H]1CCNC1=O ZINC001486031213 892989687 /nfs/dbraw/zinc/98/96/87/892989687.db2.gz PSTYZLWIZMZCSI-VHSXEESVSA-N 2 0 272.349 -2.107 20 0 CAADRP C[NH+](C)CCC(=O)NC[C@@H](CO)[NH2+][C@H]1CCNC1=O ZINC001486031212 892990430 /nfs/dbraw/zinc/99/04/30/892990430.db2.gz PSTYZLWIZMZCSI-UWVGGRQHSA-N 2 0 272.349 -2.107 20 0 CAADRP C[NH+](C)CCC(=O)NC[C@@H](CO)[NH2+]CC(=O)N1CCC1 ZINC001486030778 892990726 /nfs/dbraw/zinc/99/07/26/892990726.db2.gz MKCLYRTUUCTIJN-NSHDSACASA-N 2 0 286.376 -1.763 20 0 CAADRP C[NH+](C)CCC(=O)NC[C@H](CO)[NH2+][C@H]1CCNC1=O ZINC001486031214 892991889 /nfs/dbraw/zinc/99/18/89/892991889.db2.gz PSTYZLWIZMZCSI-ZJUUUORDSA-N 2 0 272.349 -2.107 20 0 CAADRP C[C@@H]([NH2+][C@H](CO)CNC(=O)C12CC[NH+](CC1)C2)C(N)=O ZINC001486052548 893002946 /nfs/dbraw/zinc/00/29/46/893002946.db2.gz JKLDNJPQWCJKEY-ZJUUUORDSA-N 2 0 284.360 -1.977 20 0 CAADRP O=C(NC[C@H](CO)[NH2+][C@H]1CCNC1=O)C12CC[NH+](CC1)C2 ZINC001486052290 893003356 /nfs/dbraw/zinc/00/33/56/893003356.db2.gz FCIAITKTMYRLNY-MNOVXSKESA-N 2 0 296.371 -1.963 20 0 CAADRP C[C@H](C[NH+]1CCOCC1)C(=O)NC[C@@H](CO)[NH2+]CCO ZINC001486062711 893008645 /nfs/dbraw/zinc/00/86/45/893008645.db2.gz YORYXGGBQLYNQO-NEPJUHHUSA-N 2 0 289.376 -1.986 20 0 CAADRP CN(C[C@@H](O)C[NH2+]Cc1cnnn1C)C(=O)CC[NH+](C)C ZINC001486298415 893041833 /nfs/dbraw/zinc/04/18/33/893041833.db2.gz OONXYXJXRIJUEU-LBPRGKRZSA-N 2 0 298.391 -1.324 20 0 CAADRP CNC(=O)[C@@H](C)[NH2+]C[C@H](O)CN(C)C(=O)CC[NH+](C)C ZINC001486298533 893043348 /nfs/dbraw/zinc/04/33/48/893043348.db2.gz QSRUTTSLFZXQNF-MNOVXSKESA-N 2 0 288.392 -1.519 20 0 CAADRP CN(CCOCC[NH2+]CC(N)=O)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001486498804 893074496 /nfs/dbraw/zinc/07/44/96/893074496.db2.gz GQCUCDZTTNIPAM-NSHDSACASA-N 2 0 286.376 -1.512 20 0 CAADRP CN(CCOCC[NH2+]CCO)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001486499124 893076067 /nfs/dbraw/zinc/07/60/67/893076067.db2.gz LVVLHVQYBPFADG-LBPRGKRZSA-N 2 0 273.377 -1.005 20 0 CAADRP CNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001490956500 893228982 /nfs/dbraw/zinc/22/89/82/893228982.db2.gz WEIYFZSMWMHVSW-GMTAPVOTSA-N 2 0 268.361 -1.079 20 0 CAADRP C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]CC(N)=O ZINC001491458160 893276078 /nfs/dbraw/zinc/27/60/78/893276078.db2.gz XZNCCRMBLPIMDC-OPRDCNLKSA-N 2 0 256.350 -1.094 20 0 CAADRP C[C@H](CNC(=O)COC1CC[NH+](C)CC1)[NH2+]CC(N)=O ZINC001491625611 893301956 /nfs/dbraw/zinc/30/19/56/893301956.db2.gz ORGWHGWRRBNXSW-SNVBAGLBSA-N 2 0 286.376 -1.323 20 0 CAADRP CNC(=O)C[NH2+][C@@H](C)CNC(=O)C[NH+]1CCCC1 ZINC001491675085 893306705 /nfs/dbraw/zinc/30/67/05/893306705.db2.gz RDQGGBIWRPBSLL-JTQLQIEISA-N 2 0 256.350 -1.078 20 0 CAADRP C[C@H](CNC(=O)C[NH+]1CCCC1)[NH2+][C@@H]1CCC(=O)NC1=O ZINC001491676190 893306814 /nfs/dbraw/zinc/30/68/14/893306814.db2.gz ZCHNXQFTVPMOQB-GHMZBOCLSA-N 2 0 296.371 -1.018 20 0 CAADRP CNC(=O)C[NH2+][C@H](C)CNC(=O)C[NH+]1CCCC1 ZINC001491675086 893306972 /nfs/dbraw/zinc/30/69/72/893306972.db2.gz RDQGGBIWRPBSLL-SNVBAGLBSA-N 2 0 256.350 -1.078 20 0 CAADRP C[C@H](CCNC(=O)[C@H]1CCC[N@@H+]1C)[NH2+]CC(=O)NC(N)=O ZINC001491992422 893320286 /nfs/dbraw/zinc/32/02/86/893320286.db2.gz UGKKWNDWMQYDTR-NXEZZACHSA-N 2 0 299.375 -1.240 20 0 CAADRP CC[C@@H](C(=O)N(C)CC[NH2+]CC(=O)NC(N)=O)[NH+](C)C ZINC001493700934 893413232 /nfs/dbraw/zinc/41/32/32/893413232.db2.gz ZATWBMFBGPLLFD-VIFPVBQESA-N 2 0 287.364 -1.431 20 0 CAADRP CC[C@H](CNC(=O)[C@@H]1CN(C)CCO1)[NH2+]CC(N)=O ZINC001494960446 893464729 /nfs/dbraw/zinc/46/47/29/893464729.db2.gz VVCCFJAKJVGHRO-ZJUUUORDSA-N 2 0 272.349 -1.713 20 0 CAADRP CC[C@@H](CNC(=O)[C@H]1CN(C)CCO1)[NH2+]CC(N)=O ZINC001494960445 893466225 /nfs/dbraw/zinc/46/62/25/893466225.db2.gz VVCCFJAKJVGHRO-VHSXEESVSA-N 2 0 272.349 -1.713 20 0 CAADRP C[C@@H](C[NH2+]CC(N)=O)N(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001496229458 893513631 /nfs/dbraw/zinc/51/36/31/893513631.db2.gz IEGWRTPXXVOSMU-UWVGGRQHSA-N 2 0 256.350 -1.140 20 0 CAADRP CNC(=O)C[NH2+]C[C@@H](O)CNC(=O)C1([NH+](C)C)CCC1 ZINC001496995497 893575569 /nfs/dbraw/zinc/57/55/69/893575569.db2.gz JQJXXHXEJNJRTH-SNVBAGLBSA-N 2 0 286.376 -1.717 20 0 CAADRP C[C@H](O)C[NH2+]C[C@@H](O)CNC(=O)C1CC[NH+](C)CC1 ZINC001497045540 893588945 /nfs/dbraw/zinc/58/89/45/893588945.db2.gz FSSHYLKXSFOUPE-CMPLNLGQSA-N 2 0 273.377 -1.224 20 0 CAADRP CNC(=O)C[NH2+]C[C@H](O)CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001497091012 893602119 /nfs/dbraw/zinc/60/21/19/893602119.db2.gz CXCOZJIHBFCIRB-QWRGUYRKSA-N 2 0 286.376 -1.859 20 0 CAADRP CNC(=O)C[NH2+]C[C@H](O)CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001497091011 893602417 /nfs/dbraw/zinc/60/24/17/893602417.db2.gz CXCOZJIHBFCIRB-MNOVXSKESA-N 2 0 286.376 -1.859 20 0 CAADRP CNC(=O)C[NH2+]C[C@H](O)CNC(=O)C[NH+]1CCCC1 ZINC001497115146 893604621 /nfs/dbraw/zinc/60/46/21/893604621.db2.gz UGDLHYCGTJRSSU-JTQLQIEISA-N 2 0 272.349 -2.105 20 0 CAADRP CNC(=O)[C@@H](C)[NH2+]C[C@@H](O)CNC(=O)C12CC[NH+](CC1)C2 ZINC001497092324 893604793 /nfs/dbraw/zinc/60/47/93/893604793.db2.gz QLYIWMWZUQXOEI-GHMZBOCLSA-N 2 0 298.387 -1.717 20 0 CAADRP CCN(CC[NH2+]CC(=O)NC(N)=O)C(=O)CC[NH+](C)C ZINC001497447716 893621469 /nfs/dbraw/zinc/62/14/69/893621469.db2.gz PICVQDIQZUZQQE-UHFFFAOYSA-N 2 0 287.364 -1.429 20 0 CAADRP CC[C@@H](C(=O)NC/C=C\C[NH2+]CC(=O)NC(N)=O)[NH+](C)C ZINC001497727012 893630246 /nfs/dbraw/zinc/63/02/46/893630246.db2.gz LCGPYWGNMILARN-OMMCCPJFSA-N 2 0 299.375 -1.217 20 0 CAADRP C[C@H](C[NH2+]CC(N)=O)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001497817189 893637590 /nfs/dbraw/zinc/63/75/90/893637590.db2.gz NWIXAIWHMVDPRR-KOLCDFICSA-N 2 0 268.361 -1.092 20 0 CAADRP C[C@H](C[NH2+]CC(=O)NC(N)=O)NC(=O)CCC[NH+](C)C ZINC001497895389 893642870 /nfs/dbraw/zinc/64/28/70/893642870.db2.gz QLSJZVADDLOVDA-SECBINFHSA-N 2 0 287.364 -1.383 20 0 CAADRP C[C@H](C[NH2+]CC(=O)NC(N)=O)NC(=O)C1CC[NH+](C)CC1 ZINC001497901207 893642957 /nfs/dbraw/zinc/64/29/57/893642957.db2.gz ZJBHEEYZIWRZSG-SECBINFHSA-N 2 0 299.375 -1.383 20 0 CAADRP C[C@@H](C[NH2+]CC(=O)NC(N)=O)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001498045515 893649656 /nfs/dbraw/zinc/64/96/56/893649656.db2.gz YOCSSHOMVSRDJQ-IVZWLZJFSA-N 2 0 299.375 -1.384 20 0 CAADRP C[C@@H](C[NH2+]CC(N)=O)NC(=O)C12CC[NH+](CC1)C2 ZINC001498160106 893660084 /nfs/dbraw/zinc/66/00/84/893660084.db2.gz IDRNGEOXRAGBMN-VIFPVBQESA-N 2 0 254.334 -1.338 20 0 CAADRP CC[N@H+](C)CCC(=O)N[C@@H](C)C[NH2+]CC(=O)NC(N)=O ZINC001498152514 893661172 /nfs/dbraw/zinc/66/11/72/893661172.db2.gz BRTJQEIGWWDRKA-VIFPVBQESA-N 2 0 287.364 -1.383 20 0 CAADRP C[N@@H+]1CC[C@H](C(=O)N[C@@H](C[NH2+]CC(N)=O)C2CC2)C1 ZINC001498860600 893694118 /nfs/dbraw/zinc/69/41/18/893694118.db2.gz AKYUKXCSFWRJHH-QWRGUYRKSA-N 2 0 268.361 -1.092 20 0 CAADRP C[N@@H+]1CCC[C@@H]1C(=O)NCC1([NH2+]CC(N)=O)CC1 ZINC001499183395 893708220 /nfs/dbraw/zinc/70/82/20/893708220.db2.gz BSOWUZIBISKSON-SECBINFHSA-N 2 0 254.334 -1.196 20 0 CAADRP CNC(=O)C[NH2+]C1(CNC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001499448758 893716663 /nfs/dbraw/zinc/71/66/63/893716663.db2.gz QYGFYXWXCHGUSV-SNVBAGLBSA-N 2 0 268.361 -1.078 20 0 CAADRP C[N@@H+]1CC[C@H](CC(=O)NC[C@@]2(O)CC[NH+](CCO)C2)C1 ZINC001500751735 893752109 /nfs/dbraw/zinc/75/21/09/893752109.db2.gz ZBABAKMZILISJM-OCCSQVGLSA-N 2 0 285.388 -1.127 20 0 CAADRP C[NH+](C)C1(C(=O)N(CCO)CC[NH2+]CCO)CCC1 ZINC001501462252 893804329 /nfs/dbraw/zinc/80/43/29/893804329.db2.gz PCGXXJBOZYJILA-UHFFFAOYSA-N 2 0 273.377 -1.127 20 0 CAADRP C[N@@H+]1CCCC[C@H]1C(=O)N(CCO)CC[NH2+]CCO ZINC001501484844 893808743 /nfs/dbraw/zinc/80/87/43/893808743.db2.gz VKTZTCXFXUSGNB-LBPRGKRZSA-N 2 0 273.377 -1.127 20 0 CAADRP C[N@@H+]1CC[C@H](C(=O)N(CCO)CC[NH2+][C@H]2CCNC2=O)C1 ZINC001501511241 893814132 /nfs/dbraw/zinc/81/41/32/893814132.db2.gz HLHGDQYBZFELJT-RYUDHWBXSA-N 2 0 298.387 -1.763 20 0 CAADRP CNC(=O)C[NH2+]C[C@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)CCO1 ZINC001502092096 893842244 /nfs/dbraw/zinc/84/22/44/893842244.db2.gz ICYHPRYBAFLSML-NEPJUHHUSA-N 2 0 298.387 -1.499 20 0 CAADRP C[C@@H]1[C@H](C(=O)NC[C@H](CO)[NH2+]CCO)CC[N@@H+]1C ZINC001507198325 893991105 /nfs/dbraw/zinc/99/11/05/893991105.db2.gz TUYJGVSHMHAXJK-GMTAPVOTSA-N 2 0 259.350 -1.614 20 0 CAADRP CN1CC[C@H]([NH2+][C@H](CO)CNC(=O)CC[NH+](C)C)C1=O ZINC001507232105 894010344 /nfs/dbraw/zinc/01/03/44/894010344.db2.gz LYHNELTZEUBAGP-QWRGUYRKSA-N 2 0 286.376 -1.765 20 0 CAADRP CN(C)C(=O)C[NH2+][C@H](CO)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001507260777 894026953 /nfs/dbraw/zinc/02/69/53/894026953.db2.gz NPKHIUOPZCYGRK-MNOVXSKESA-N 2 0 286.376 -1.907 20 0 CAADRP C[N@@H+]1CC[C@H](C(=O)NC[C@H](CO)[NH2+]CC(=O)N2CCC2)C1 ZINC001507262133 894033011 /nfs/dbraw/zinc/03/30/11/894033011.db2.gz VOXHWZNUIPCAAH-NWDGAFQWSA-N 2 0 298.387 -1.763 20 0 CAADRP C[N@@H+]1CC[C@@H](C(=O)NC[C@@H](CO)[NH2+]CCCO)C1 ZINC001507261749 894033790 /nfs/dbraw/zinc/03/37/90/894033790.db2.gz UNIZEGTUWJMSBO-MNOVXSKESA-N 2 0 259.350 -1.613 20 0 CAADRP CN(C[C@H](O)C[NH2+]CCCO)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001507470562 894047276 /nfs/dbraw/zinc/04/72/76/894047276.db2.gz HSDWTZYLXKGHBD-NEPJUHHUSA-N 2 0 273.377 -1.128 20 0 CAADRP CN(C[C@@H](O)C[NH2+]CCCO)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001507470563 894051014 /nfs/dbraw/zinc/05/10/14/894051014.db2.gz HSDWTZYLXKGHBD-RYUDHWBXSA-N 2 0 273.377 -1.128 20 0 CAADRP CC(C)[C@@H](C(=O)N(C)C[C@@H](O)C[NH2+]CCO)[NH+](C)C ZINC001507541088 894069957 /nfs/dbraw/zinc/06/99/57/894069957.db2.gz HZHYAOJRUPCORZ-RYUDHWBXSA-N 2 0 275.393 -1.026 20 0 CAADRP C[C@H](NC(=O)[C@@H]1C[NH2+]CCN1C)[C@@H]1C[N@H+](C)CCN1C ZINC001515355931 894186634 /nfs/dbraw/zinc/18/66/34/894186634.db2.gz AALIYUVOLSSJJG-AVGNSLFASA-N 2 0 283.420 -1.360 20 0 CAADRP C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)NCCCN1CC[NH2+]CC1 ZINC001521145236 894202067 /nfs/dbraw/zinc/20/20/67/894202067.db2.gz QBDGRSDBZSRJDW-KGLIPLIRSA-N 2 0 295.431 -1.214 20 0 CAADRP C[C@@H](C[NH3+])N(C)C(=O)[C@@H]1CC(=O)N(C2C[NH2+]C2)C1 ZINC001521152027 894203565 /nfs/dbraw/zinc/20/35/65/894203565.db2.gz MWWGXWWUTBWMAL-DTWKUNHWSA-N 2 0 254.334 -1.388 20 0 CAADRP C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)NCCCN1CC[NH2+]CC1 ZINC001521145238 894203714 /nfs/dbraw/zinc/20/37/14/894203714.db2.gz QBDGRSDBZSRJDW-ZIAGYGMSSA-N 2 0 295.431 -1.214 20 0 CAADRP [NH3+]CCN1CCC[C@H](C(=O)NC[C@@H]2C[C@H](F)C[NH2+]2)C1=O ZINC001521540891 894208530 /nfs/dbraw/zinc/20/85/30/894208530.db2.gz MWFSXAVGFUTKQB-GARJFASQSA-N 2 0 286.351 -1.000 20 0 CAADRP C[C@H]([NH3+])[C@H](C)NC(=O)[C@@H]1CC(=O)N(C2C[NH2+]C2)C1 ZINC001521547771 894209374 /nfs/dbraw/zinc/20/93/74/894209374.db2.gz ZMNMJXOOSIFZFU-XHNCKOQMSA-N 2 0 254.334 -1.341 20 0 CAADRP C[C@H]([NH3+])[C@H](C)NC(=O)[C@H]1CC(=O)N(C2C[NH2+]C2)C1 ZINC001521547769 894209912 /nfs/dbraw/zinc/20/99/12/894209912.db2.gz ZMNMJXOOSIFZFU-CIUDSAMLSA-N 2 0 254.334 -1.341 20 0 CAADRP C[C@@H](NC(=O)[C@H]1CC(=O)N(C2C[NH2+]C2)C1)[C@H](C)[NH3+] ZINC001521547772 894210757 /nfs/dbraw/zinc/21/07/57/894210757.db2.gz ZMNMJXOOSIFZFU-YIZRAAEISA-N 2 0 254.334 -1.341 20 0 CAADRP C[C@]1(C(=O)N2CCCO[C@H](C[NH3+])C2)C[C@H](O)C[NH2+]1 ZINC001521698635 894211508 /nfs/dbraw/zinc/21/15/08/894211508.db2.gz SNFFNFYMUQBINX-HOSYDEDBSA-N 2 0 257.334 -1.325 20 0 CAADRP CN(CC[NH3+])C(=O)[C@]12C[NH2+]C[C@H]1CS(=O)(=O)C2 ZINC001521697575 894212788 /nfs/dbraw/zinc/21/27/88/894212788.db2.gz KSOZFIIVCARDSQ-WPRPVWTQSA-N 2 0 261.347 -1.962 20 0 CAADRP O=C(C[C@@]1(O)CCC[NH2+]C1)N[C@H]1COC2(C[NH2+]C2)C1 ZINC001521971042 894212858 /nfs/dbraw/zinc/21/28/58/894212858.db2.gz CLLNXPYHXJSDRI-PWSUYJOCSA-N 2 0 269.345 -1.262 20 0 CAADRP C[NH+](C)CCn1cc(C(=O)NC[C@@H](O)C[NH3+])cn1 ZINC001522030631 894213422 /nfs/dbraw/zinc/21/34/22/894213422.db2.gz UVCGRKRRKVSEQQ-JTQLQIEISA-N 2 0 255.322 -1.506 20 0 CAADRP C[NH+](C)CCn1cc(C(=O)NC[C@H](O)C[NH3+])cn1 ZINC001522030632 894213740 /nfs/dbraw/zinc/21/37/40/894213740.db2.gz UVCGRKRRKVSEQQ-SNVBAGLBSA-N 2 0 255.322 -1.506 20 0 CAADRP C[NH2+]CCCN(C)C(=O)[C@@H]1CC(=O)N(C2C[NH2+]C2)C1 ZINC001521705854 894214167 /nfs/dbraw/zinc/21/41/67/894214167.db2.gz FTLUDNABJXVTPG-SNVBAGLBSA-N 2 0 268.361 -1.125 20 0 CAADRP CN1CC[NH2+]C[C@@H]1C(=O)N1NC(=O)C[C@@]12CC[NH2+]C2 ZINC001522310649 894216166 /nfs/dbraw/zinc/21/61/66/894216166.db2.gz CHDFCNDOOBWDFC-BXKDBHETSA-N 2 0 267.333 -2.114 20 0 CAADRP O=C(N[C@H]1C[NH2+]C[C@H]1O)C1=NOC2(C1)CC[NH2+]CC2 ZINC001522083734 894217507 /nfs/dbraw/zinc/21/75/07/894217507.db2.gz OHWHBMWVSJGZEA-VHSXEESVSA-N 2 0 268.317 -1.666 20 0 CAADRP C[NH2+]C[C@H](O)[C@@H](C)C(=O)N1CCNCC[NH2+]CC1 ZINC001522984063 894261297 /nfs/dbraw/zinc/26/12/97/894261297.db2.gz PGCMLAGZAGLMEK-MNOVXSKESA-N 2 0 258.366 -1.776 20 0 CAADRP C[NH2+]C[C@H](O)[C@H](C)C(=O)N1CCNCC[NH2+]CC1 ZINC001522984064 894262564 /nfs/dbraw/zinc/26/25/64/894262564.db2.gz PGCMLAGZAGLMEK-QWRGUYRKSA-N 2 0 258.366 -1.776 20 0 CAADRP CN1CCN(C(=O)CN2CC[NH2+]CC2)CC[N@H+](C)CC1 ZINC001523481505 894269198 /nfs/dbraw/zinc/26/91/98/894269198.db2.gz DPJBOFUDQSPPMO-UHFFFAOYSA-N 2 0 283.420 -1.403 20 0 CAADRP COCC[NH2+]CC(=O)N[C@H](C)[C@H]1C[N@H+](C)CCN1C ZINC001524029477 894275065 /nfs/dbraw/zinc/27/50/65/894275065.db2.gz NLIZASCNXANLMH-VXGBXAGGSA-N 2 0 272.393 -1.027 20 0 CAADRP CN(C(=O)[C@@H]1CCCN(CC[NH3+])C1=O)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001524119723 894276024 /nfs/dbraw/zinc/27/60/24/894276024.db2.gz IXIITXYBWCYEOH-NNYUYHANSA-N 2 0 280.372 -1.140 20 0 CAADRP CN1CC[NH2+]C[C@H]1CNC(=O)C[C@@]1(O)CCC[NH2+]C1 ZINC001548558822 894485606 /nfs/dbraw/zinc/48/56/06/894485606.db2.gz LAFHVWSFFLYSNE-AAEUAGOBSA-N 2 0 270.377 -1.489 20 0 CAADRP C[C@H]1COCCN1CCNC(=O)[C@H]1C[NH2+]CCN1C ZINC001548554506 894486753 /nfs/dbraw/zinc/48/67/53/894486753.db2.gz VSYMGQCAHGAPFK-NWDGAFQWSA-N 2 0 270.377 -1.273 20 0 CAADRP [NH3+]C[C@H](O)CC(=O)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC001548554540 894486953 /nfs/dbraw/zinc/48/69/53/894486953.db2.gz WYYFLBSRYSKSHE-GRYCIOLGSA-N 2 0 271.361 -1.246 20 0 CAADRP CN1CC[NH2+]C[C@H]1CNC(=O)[C@@H]1C[NH2+]CCN1C ZINC001548558789 894487226 /nfs/dbraw/zinc/48/72/26/894487226.db2.gz KCNYVJJFJJBVMG-QWRGUYRKSA-N 2 0 255.366 -2.090 20 0 CAADRP CN1CC[NH2+]C[C@@H]1C(=O)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC001548552772 894487281 /nfs/dbraw/zinc/48/72/81/894487281.db2.gz FTGQGKBNRUHJCZ-MGPQQGTHSA-N 2 0 296.415 -1.052 20 0 CAADRP O=C(NC[C@H]1C[NH2+]CCO1)C1=NO[C@]2(C1)CCC[NH2+]C2 ZINC001548562438 894487349 /nfs/dbraw/zinc/48/73/49/894487349.db2.gz OTPUYZJMMRPVJM-MFKMUULPSA-N 2 0 282.344 -1.011 20 0 CAADRP O=C(NC[C@@H]1C[NH2+]CCO1)C1=NO[C@@]2(C1)CCC[NH2+]C2 ZINC001548562436 894487360 /nfs/dbraw/zinc/48/73/60/894487360.db2.gz OTPUYZJMMRPVJM-GXFFZTMASA-N 2 0 282.344 -1.011 20 0 CAADRP CN1CC[NH2+]C[C@@H]1C(=O)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC001548552775 894487369 /nfs/dbraw/zinc/48/73/69/894487369.db2.gz FTGQGKBNRUHJCZ-MJBXVCDLSA-N 2 0 296.415 -1.052 20 0 CAADRP C[NH+]1CCN(c2cc(C(=O)NC[C@H](O)C[NH3+])ccn2)CC1 ZINC001548570585 894489100 /nfs/dbraw/zinc/48/91/00/894489100.db2.gz JIZMZWWDKWGJMH-GFCCVEGCSA-N 2 0 293.371 -1.117 20 0 CAADRP CN1CC[NH2+]C[C@@H]1C(=O)N1CCC[C@H]([NH2+]CCO)C1 ZINC001548574541 894489176 /nfs/dbraw/zinc/48/91/76/894489176.db2.gz GAMNEQAWXLJMSD-NWDGAFQWSA-N 2 0 270.377 -1.537 20 0 CAADRP CC1(C)CN(C(=O)CN2CC[NH2+]CC2)CC2(C[NH2+]C2)O1 ZINC001548576109 894489532 /nfs/dbraw/zinc/48/95/32/894489532.db2.gz LREXODCBBYTFID-UHFFFAOYSA-N 2 0 282.388 -1.129 20 0 CAADRP CN1CC[NH2+]C[C@@H]1C(=O)N1CCC[C@@H]([NH2+]CCO)C1 ZINC001548574560 894489943 /nfs/dbraw/zinc/48/99/43/894489943.db2.gz GAMNEQAWXLJMSD-VXGBXAGGSA-N 2 0 270.377 -1.537 20 0 CAADRP CN1CC[NH2+]C[C@H]1C(=O)N1CC2(C[NH2+]C2)OC(C)(C)C1 ZINC001548577152 894490055 /nfs/dbraw/zinc/49/00/55/894490055.db2.gz YFIUOJJPINVODP-NSHDSACASA-N 2 0 282.388 -1.131 20 0 CAADRP O=C(C[C@H]1COCC[NH2+]1)N1CCC[C@@H]([NH2+]CCO)C1 ZINC001548575132 894490107 /nfs/dbraw/zinc/49/01/07/894490107.db2.gz XORSDVXPZGPIHR-NEPJUHHUSA-N 2 0 271.361 -1.062 20 0 CAADRP C[C@H]1CN2CC[N@@H+]1C[C@H]2C(=O)NCC[NH+]1CCC(O)CC1 ZINC001548715821 894496951 /nfs/dbraw/zinc/49/69/51/894496951.db2.gz SQEYOJYOXIXHCP-JSGCOSHPSA-N 2 0 296.415 -1.052 20 0 CAADRP C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)NCC[NH+]1CCC(O)CC1 ZINC001548715825 894497951 /nfs/dbraw/zinc/49/79/51/894497951.db2.gz SQEYOJYOXIXHCP-TZMCWYRMSA-N 2 0 296.415 -1.052 20 0 CAADRP C[C@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC001548726881 894500089 /nfs/dbraw/zinc/50/00/89/894500089.db2.gz OLDGGXWSWBTPDH-IGQOVBAYSA-N 2 0 294.399 -1.348 20 0 CAADRP C[NH+](C)C[C@]1(O)CCN(C(=O)[C@]2(C)C[C@H](O)C[N@@H+]2C)C1 ZINC001548749925 894501606 /nfs/dbraw/zinc/50/16/06/894501606.db2.gz GTEASAUMXJYQKV-FPMFFAJLSA-N 2 0 285.388 -1.034 20 0 CAADRP C[NH+](C)C[C@]1(O)CCN(C(=O)[C@]2(C)C[C@@H](O)C[N@@H+]2C)C1 ZINC001548749943 894501725 /nfs/dbraw/zinc/50/17/25/894501725.db2.gz GTEASAUMXJYQKV-KWCYVHTRSA-N 2 0 285.388 -1.034 20 0 CAADRP C[C@H]1CN2CC[N@@H+]1C[C@H]2C(=O)NCC[NH+]1CC[C@H](O)C1 ZINC001548733647 894502281 /nfs/dbraw/zinc/50/22/81/894502281.db2.gz BRYAXHQTMCCCLD-AVGNSLFASA-N 2 0 282.388 -1.443 20 0 CAADRP O=C(NC[C@@H]1C[NH2+]CCCO1)c1cn([C@@H]2CC[NH2+]C2)nn1 ZINC001548938811 894502764 /nfs/dbraw/zinc/50/27/64/894502764.db2.gz KNAUNGDFJIXAAA-MNOVXSKESA-N 2 0 294.359 -1.079 20 0 CAADRP C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)N1CC[C@](O)(C[NH+](C)C)C1 ZINC001548745521 894502850 /nfs/dbraw/zinc/50/28/50/894502850.db2.gz QEMAJRHGKAMGCK-IPYPFGDCSA-N 2 0 296.415 -1.100 20 0 CAADRP C[C@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)NCC[NH+]1CC[C@@H](O)C1 ZINC001548733283 894503027 /nfs/dbraw/zinc/50/30/27/894503027.db2.gz BRYAXHQTMCCCLD-YNEHKIRRSA-N 2 0 282.388 -1.443 20 0 CAADRP O=C(NC[C@H]1C[NH2+]CCCO1)c1cn([C@@H]2CC[NH2+]C2)nn1 ZINC001548938777 894503544 /nfs/dbraw/zinc/50/35/44/894503544.db2.gz KNAUNGDFJIXAAA-GHMZBOCLSA-N 2 0 294.359 -1.079 20 0 CAADRP C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)N1CC[C@@](O)(C[NH+](C)C)C1 ZINC001548745523 894504211 /nfs/dbraw/zinc/50/42/11/894504211.db2.gz QEMAJRHGKAMGCK-UMVBOHGHSA-N 2 0 296.415 -1.100 20 0 CAADRP CO[C@H](C[NH3+])CC(=O)N1CC[C@@H]2OCC[NH2+][C@@H]2C1 ZINC001549045071 894506314 /nfs/dbraw/zinc/50/63/14/894506314.db2.gz TVUXRYTZJDZLBN-AXFHLTTASA-N 2 0 257.334 -1.061 20 0 CAADRP CO[C@H](C[NH3+])CC(=O)N1CC[C@H]2OCC[NH2+][C@@H]2C1 ZINC001549045076 894506339 /nfs/dbraw/zinc/50/63/39/894506339.db2.gz TVUXRYTZJDZLBN-HBNTYKKESA-N 2 0 257.334 -1.061 20 0 CAADRP O=C([C@@H]1C[C@H](O)C[NH2+]1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC001549046300 894506476 /nfs/dbraw/zinc/50/64/76/894506476.db2.gz SRDXNWYTTKYRDW-SRVKXCTJSA-N 2 0 268.361 -1.785 20 0 CAADRP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)N1CC[C@@H]2OCC[NH2+][C@@H]2C1 ZINC001549044841 894506551 /nfs/dbraw/zinc/50/65/51/894506551.db2.gz LOUNOSUXAZVZGW-TUAOUCFPSA-N 2 0 296.371 -1.556 20 0 CAADRP CO[C@@H]1C[NH2+][C@H](C(=O)N2CC[C@H]3OCC[NH2+][C@H]3C2)C1 ZINC001549044837 894506963 /nfs/dbraw/zinc/50/69/63/894506963.db2.gz LBAJBBPEONSMDR-FIQHERPVSA-N 2 0 269.345 -1.047 20 0 CAADRP O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)NC[C@@H]1C[NH2+]CCCO1 ZINC001549046104 894507144 /nfs/dbraw/zinc/50/71/44/894507144.db2.gz HALYPFPDUFZMEY-RYUDHWBXSA-N 2 0 298.387 -1.261 20 0 CAADRP O=C(C[C@H]1COCC[NH2+]1)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC001549045721 894507292 /nfs/dbraw/zinc/50/72/92/894507292.db2.gz HIEQUTJFNXHENW-QWHCGFSZSA-N 2 0 282.388 -1.129 20 0 CAADRP O=C(CNC(=O)[C@H]1CCC[NH2+]1)NC[C@H]1C[NH2+]CCCO1 ZINC001549046385 894507463 /nfs/dbraw/zinc/50/74/63/894507463.db2.gz UAPAEEFKYRGFPM-GHMZBOCLSA-N 2 0 284.360 -1.651 20 0 CAADRP Cn1cc([C@@H]2CN(C(=O)[C@H]3C[NH2+]CCOC3)C[C@H]2[NH3+])cn1 ZINC001548945419 894507568 /nfs/dbraw/zinc/50/75/68/894507568.db2.gz PHGVFUDJQXCRKD-RWMBFGLXSA-N 2 0 293.371 -1.091 20 0 CAADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CC[C@@H]2OCC[NH2+][C@@H]2C1 ZINC001549045005 894507590 /nfs/dbraw/zinc/50/75/90/894507590.db2.gz OQKZQDFRTSELKY-MDZLAQPJSA-N 2 0 298.387 -1.325 20 0 CAADRP O=C(C[C@@H]1COCC[NH2+]1)N1CC[C@@H]2OCC[NH2+][C@@H]2C1 ZINC001549044770 894507667 /nfs/dbraw/zinc/50/76/67/894507667.db2.gz DPAVJUNAOYJQRG-UTUOFQBUSA-N 2 0 269.345 -1.046 20 0 CAADRP O=C(C[C@@H]1C[NH2+]CCO1)N1CC[C@@H]2OCC[NH2+][C@@H]2C1 ZINC001549045389 894507734 /nfs/dbraw/zinc/50/77/34/894507734.db2.gz VKLWWCUWKLBSDZ-UTUOFQBUSA-N 2 0 269.345 -1.046 20 0 CAADRP O=C([C@@H]1C[C@@H](O)C[NH2+]1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC001549046301 894507824 /nfs/dbraw/zinc/50/78/24/894507824.db2.gz SRDXNWYTTKYRDW-TUAOUCFPSA-N 2 0 268.361 -1.785 20 0 CAADRP Cn1cc([C@@H]2CN(C(=O)[C@@H]3C[NH2+]CCOC3)C[C@H]2[NH3+])cn1 ZINC001548945417 894507997 /nfs/dbraw/zinc/50/79/97/894507997.db2.gz PHGVFUDJQXCRKD-FRRDWIJNSA-N 2 0 293.371 -1.091 20 0 CAADRP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)NC[C@H]1C[NH2+]CCCO1 ZINC001549046386 894508137 /nfs/dbraw/zinc/50/81/37/894508137.db2.gz UAPAEEFKYRGFPM-MNOVXSKESA-N 2 0 284.360 -1.651 20 0 CAADRP O=C(CNC(=O)[C@H]1CCC[NH2+]1)N1CC[C@@H]2OCC[NH2+][C@H]2C1 ZINC001549044843 894508152 /nfs/dbraw/zinc/50/81/52/894508152.db2.gz LOUNOSUXAZVZGW-WOPDTQHZSA-N 2 0 296.371 -1.556 20 0 CAADRP O=C(C[C@@H]1COCC[NH2+]1)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC001549045719 894508783 /nfs/dbraw/zinc/50/87/83/894508783.db2.gz HIEQUTJFNXHENW-CHWSQXEVSA-N 2 0 282.388 -1.129 20 0 CAADRP O=C(C[C@@H]1COCC[NH2+]1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC001549045720 894508914 /nfs/dbraw/zinc/50/89/14/894508914.db2.gz HIEQUTJFNXHENW-OLZOCXBDSA-N 2 0 282.388 -1.129 20 0 CAADRP CO[C@@H]1C[NH2+][C@H](C(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)C1 ZINC001549045521 894508970 /nfs/dbraw/zinc/50/89/70/894508970.db2.gz CKUMMJZEEFPTIT-AGIUHOORSA-N 2 0 282.388 -1.131 20 0 CAADRP Cn1cc([C@@H]2CN(C(=O)[C@@H]3C[NH2+]CCO3)C[C@@H]2[NH3+])cn1 ZINC001549048019 894510778 /nfs/dbraw/zinc/51/07/78/894510778.db2.gz CBIJYOWEGFHKCM-SRVKXCTJSA-N 2 0 279.344 -1.338 20 0 CAADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC001549050627 894510850 /nfs/dbraw/zinc/51/08/50/894510850.db2.gz OZFOPPQUAYZCFJ-JQWIXIFHSA-N 2 0 286.376 -1.338 20 0 CAADRP [NH3+]C[C@H]1CN(C(=O)CNC(=O)[C@@H]2CCC[NH2+]2)CCCO1 ZINC001549049085 894510899 /nfs/dbraw/zinc/51/08/99/894510899.db2.gz HEMFNKJBNPPICJ-QWRGUYRKSA-N 2 0 284.360 -1.569 20 0 CAADRP [NH3+]CC(=O)NCC(=O)N1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1 ZINC001549132791 894511180 /nfs/dbraw/zinc/51/11/80/894511180.db2.gz SAQJTRIDENTIIJ-UTUOFQBUSA-N 2 0 298.387 -1.051 20 0 CAADRP O=C(NC[C@@H]1C[NH2+]CCCO1)[C@@]12C[NH2+]C[C@@H]1COC2 ZINC001549125900 894511209 /nfs/dbraw/zinc/51/12/09/894511209.db2.gz ULXFJALRAMVIOT-NTZNESFSSA-N 2 0 269.345 -1.283 20 0 CAADRP O=C(N1CC[C@H](N2CC[NH2+]CC2)C1)[C@]12C[NH2+]C[C@@H]1COC2 ZINC001549121271 894511476 /nfs/dbraw/zinc/51/14/76/894511476.db2.gz CSRVPXPPEIHHDE-IPYPFGDCSA-N 2 0 294.399 -1.272 20 0 CAADRP CO[C@@H](C[NH3+])CC(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC001549046632 894511610 /nfs/dbraw/zinc/51/16/10/894511610.db2.gz YQKDBCZJKSAPQG-VXGBXAGGSA-N 2 0 270.377 -1.144 20 0 CAADRP [NH3+]CC(=O)NCC(=O)N1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1 ZINC001549132790 894511937 /nfs/dbraw/zinc/51/19/37/894511937.db2.gz SAQJTRIDENTIIJ-TUAOUCFPSA-N 2 0 298.387 -1.051 20 0 CAADRP CO[C@H](C[NH3+])CC(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC001549046629 894511948 /nfs/dbraw/zinc/51/19/48/894511948.db2.gz YQKDBCZJKSAPQG-NEPJUHHUSA-N 2 0 270.377 -1.144 20 0 CAADRP [NH3+]C[C@H]1CN(C(=O)CCNC(=O)[C@H]2CCC[NH2+]2)CCCO1 ZINC001549048784 894512099 /nfs/dbraw/zinc/51/20/99/894512099.db2.gz GZXLIVGUCIIXGF-NWDGAFQWSA-N 2 0 298.387 -1.179 20 0 CAADRP O=C(CN1CC[C@@H]2OCC[NH2+][C@H]2C1)N1CC[NH2+]CC1 ZINC001549112929 894512307 /nfs/dbraw/zinc/51/23/07/894512307.db2.gz IEZNTWISTFXJSX-RYUDHWBXSA-N 2 0 268.361 -1.519 20 0 CAADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CCCO[C@H](C[NH3+])C1 ZINC001549050629 894512799 /nfs/dbraw/zinc/51/27/99/894512799.db2.gz OZFOPPQUAYZCFJ-PWSUYJOCSA-N 2 0 286.376 -1.338 20 0 CAADRP [NH3+]C[C@@H]1CCO[C@@H]1C(=O)N1CC[C@@H]2OCC[NH2+][C@H]2C1 ZINC001549294531 894513723 /nfs/dbraw/zinc/51/37/23/894513723.db2.gz WUZBJZCHLDCBFF-BJDJZHNGSA-N 2 0 269.345 -1.061 20 0 CAADRP [NH3+]Cc1cn([C@H]2CCCN(C(=O)C3(O)C[NH2+]C3)C2)nn1 ZINC001549293807 894513742 /nfs/dbraw/zinc/51/37/42/894513742.db2.gz RKACTDDXBNPECW-JTQLQIEISA-N 2 0 280.332 -1.765 20 0 CAADRP [NH3+]C[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@H]2OCC[NH2+][C@H]2C1 ZINC001549290761 894514180 /nfs/dbraw/zinc/51/41/80/894514180.db2.gz FTWPZMWDFFOJLU-BJDJZHNGSA-N 2 0 269.345 -1.061 20 0 CAADRP CC(=O)N1CC[C@@]([NH3+])(C(=O)N2CC3CC2(C[NH3+])C3)C1 ZINC001549298294 894514352 /nfs/dbraw/zinc/51/43/52/894514352.db2.gz KKKCNXWWKAIJHR-GDKBPFBDSA-N 2 0 266.345 -1.114 20 0 CAADRP C[C@@H]1C[NH2+]C[C@@H](C(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)O1 ZINC001549286059 894514583 /nfs/dbraw/zinc/51/45/83/894514583.db2.gz QWSVMNIPVSSXOM-UPJWGTAASA-N 2 0 282.388 -1.131 20 0 CAADRP [NH3+]C[C@@H]1OCC[C@@H]1C(=O)N1CC[C@H]2OCC[NH2+][C@H]2C1 ZINC001549290764 894514610 /nfs/dbraw/zinc/51/46/10/894514610.db2.gz FTWPZMWDFFOJLU-YFKTTZPYSA-N 2 0 269.345 -1.061 20 0 CAADRP [NH3+]C[C@@H]1CCO[C@@H]1C(=O)N1CC[C@H]2OCC[NH2+][C@@H]2C1 ZINC001549294533 894514941 /nfs/dbraw/zinc/51/49/41/894514941.db2.gz WUZBJZCHLDCBFF-QCNOEVLYSA-N 2 0 269.345 -1.061 20 0 CAADRP Cn1cc([C@H]2CN(C(=O)C3(O)C[NH2+]C3)C[C@@H]2[NH3+])cn1 ZINC001549292160 894515355 /nfs/dbraw/zinc/51/53/55/894515355.db2.gz JNBHQJBQTYYTNC-ZJUUUORDSA-N 2 0 265.317 -1.993 20 0 CAADRP C[NH+](C)[C@@H]1CN(c2nc(N)[nH+]c(N)n2)C[C@H]1n1ccnn1 ZINC001549560590 894519648 /nfs/dbraw/zinc/51/96/48/894519648.db2.gz VQKSWRXRSVKSDL-HTQZYQBOSA-N 2 0 290.335 -1.381 20 0 CAADRP Cn1cnc([C@H]2CN(C(=O)C3(O)C[NH2+]C3)C[C@@H]2[NH3+])c1 ZINC001549739933 894522007 /nfs/dbraw/zinc/52/20/07/894522007.db2.gz VKEZTLLZZRTBKM-IUCAKERBSA-N 2 0 265.317 -1.993 20 0 CAADRP [NH3+]CC(=O)N[C@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC001549729025 894522182 /nfs/dbraw/zinc/52/21/82/894522182.db2.gz XDRWYLFLFQBJPC-CABZTGNLSA-N 2 0 254.334 -1.292 20 0 CAADRP Cn1cnc([C@@H]2CN(C(=O)[C@H]3C[NH2+]CCOC3)C[C@H]2[NH3+])c1 ZINC001549745328 894522326 /nfs/dbraw/zinc/52/23/26/894522326.db2.gz YBUYQVCAURELOT-QJPTWQEYSA-N 2 0 293.371 -1.091 20 0 CAADRP [NH3+]CC(=O)N[C@@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1 ZINC001549729018 894522982 /nfs/dbraw/zinc/52/29/82/894522982.db2.gz XDRWYLFLFQBJPC-BXKDBHETSA-N 2 0 254.334 -1.292 20 0 CAADRP C[NH2+]CC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC001549728978 894523500 /nfs/dbraw/zinc/52/35/00/894523500.db2.gz WCEXZKBXDGMNKS-MFKMUULPSA-N 2 0 268.361 -1.031 20 0 CAADRP [NH3+][C@@H]1CCO[C@@H]1C(=O)N1CC[C@H]2OCC[NH2+][C@@H]2C1 ZINC001550060717 894525161 /nfs/dbraw/zinc/52/51/61/894525161.db2.gz NATHQKLZPAHXIT-DBIOUOCHSA-N 2 0 255.318 -1.308 20 0 CAADRP Cn1cc([C@@H]2CN(C(=O)[C@@H]3OCC[C@H]3[NH3+])C[C@H]2[NH3+])cn1 ZINC001550066851 894525730 /nfs/dbraw/zinc/52/57/30/894525730.db2.gz IPKQPMVWMLZFAR-IRCOFANPSA-N 2 0 279.344 -1.211 20 0 CAADRP Cn1cc([C@@H]2CN(C(=O)[C@@H]3OCC[C@H]3[NH3+])C[C@@H]2[NH3+])cn1 ZINC001550066856 894526753 /nfs/dbraw/zinc/52/67/53/894526753.db2.gz IPKQPMVWMLZFAR-WHOHXGKFSA-N 2 0 279.344 -1.211 20 0 CAADRP O=C(NC[C@@H]1CC2(CO1)CC[NH2+]CC2)[C@H]1C[C@H](O)C[NH2+]1 ZINC001550114411 894528683 /nfs/dbraw/zinc/52/86/83/894528683.db2.gz FNKYPUBVPKINCG-SDDRHHMPSA-N 2 0 283.372 -1.016 20 0 CAADRP C[C@@]1(C(=O)N2CC[C@H](n3cc(C[NH3+])nn3)C2)C[NH2+]CCO1 ZINC001550095205 894528753 /nfs/dbraw/zinc/52/87/53/894528753.db2.gz DBRRNNQRJWLBPA-AAEUAGOBSA-N 2 0 294.359 -1.111 20 0 CAADRP C[C@]1(C(=O)NCc2cn([C@@H]3CC[NH2+]C3)nn2)C[NH2+]CCO1 ZINC001550087639 894528869 /nfs/dbraw/zinc/52/88/69/894528869.db2.gz HNEXYBTZOWFRNT-DGCLKSJQSA-N 2 0 294.359 -1.193 20 0 CAADRP [NH3+]Cc1cn([C@H]2CCN(C(=O)[C@H]3[C@@H]4C[NH2+]C[C@@H]43)C2)nn1 ZINC001550096257 894528891 /nfs/dbraw/zinc/52/88/91/894528891.db2.gz IKCUVLKJBXNTGG-NNYUYHANSA-N 2 0 276.344 -1.024 20 0 CAADRP [NH3+]CC(=O)NCC(=O)NC[C@@H]1CC12CC[NH2+]CC2 ZINC001550085549 894528908 /nfs/dbraw/zinc/52/89/08/894528908.db2.gz IUESMBASFWZJGO-VIFPVBQESA-N 2 0 254.334 -1.433 20 0 CAADRP C[C@@]1(C(=O)N2CC[C@@H](n3cc(C[NH3+])nn3)C2)C[NH2+]CCO1 ZINC001550095208 894529745 /nfs/dbraw/zinc/52/97/45/894529745.db2.gz DBRRNNQRJWLBPA-YPMHNXCESA-N 2 0 294.359 -1.111 20 0 CAADRP [NH3+]Cc1cn([C@@H]2CCN(C(=O)[C@H]3[C@@H]4C[NH2+]C[C@@H]43)C2)nn1 ZINC001550096259 894529828 /nfs/dbraw/zinc/52/98/28/894529828.db2.gz IKCUVLKJBXNTGG-WYUUTHIRSA-N 2 0 276.344 -1.024 20 0 CAADRP CC1([NH+]2CCOCC2)CCN(C(=O)CNC(=O)C[NH3+])CC1 ZINC001550076417 894529904 /nfs/dbraw/zinc/52/99/04/894529904.db2.gz WAQTWTJXYPWGJS-UHFFFAOYSA-N 2 0 298.387 -1.225 20 0 CAADRP C[NH+]1CCN([C@H]2CCN(C(=O)[C@@H]3C[NH2+]CCO3)C2)CC1 ZINC001550115798 894530127 /nfs/dbraw/zinc/53/01/27/894530127.db2.gz FYWWRNNTBUEVNO-STQMWFEESA-N 2 0 282.388 -1.177 20 0 CAADRP C[NH+]1CCN([C@@H]2CCN(C(=O)[C@H]3C[NH2+]CCO3)C2)CC1 ZINC001550115795 894530143 /nfs/dbraw/zinc/53/01/43/894530143.db2.gz FYWWRNNTBUEVNO-CHWSQXEVSA-N 2 0 282.388 -1.177 20 0 CAADRP O=C(NCc1cn([C@@H]2CC[NH2+]C2)nn1)[C@H]1C[NH2+]CCOC1 ZINC001550087509 894530225 /nfs/dbraw/zinc/53/02/25/894530225.db2.gz WHWAXLXPRZSAGZ-CMPLNLGQSA-N 2 0 294.359 -1.335 20 0 CAADRP CN1CC[C@@H]([NH+]2CCC(NC(=O)C3(O)C[NH2+]C3)CC2)C1=O ZINC001550092563 894530255 /nfs/dbraw/zinc/53/02/55/894530255.db2.gz IRXCMPVTUKHSEA-LLVKDONJSA-N 2 0 296.371 -1.868 20 0 CAADRP [NH3+][C@@H]1C[C@H]1C(=O)NCc1cn([C@@H]2CC[NH2+]C2)nn1 ZINC001550087450 894530418 /nfs/dbraw/zinc/53/04/18/894530418.db2.gz USFGIXWDYFODOY-OPRDCNLKSA-N 2 0 250.306 -1.224 20 0 CAADRP COC[C@H]([NH3+])C(=O)N1CC[C@@H](N2CC[NH+](C)CC2)C1 ZINC001550116356 894530509 /nfs/dbraw/zinc/53/05/09/894530509.db2.gz MXOOJTSGHSGTNT-NEPJUHHUSA-N 2 0 270.377 -1.192 20 0 CAADRP [NH3+][C@H]1COCCN(C(=O)NC[C@H]2C[NH2+]CCCO2)C1 ZINC001550266650 894531482 /nfs/dbraw/zinc/53/14/82/894531482.db2.gz FXWHHKUECKPFBV-GHMZBOCLSA-N 2 0 272.349 -1.266 20 0 CAADRP [NH3+][C@H]1COCCN(C(=O)NC[C@@H]2C[NH2+]CCCO2)C1 ZINC001550266674 894531686 /nfs/dbraw/zinc/53/16/86/894531686.db2.gz FXWHHKUECKPFBV-MNOVXSKESA-N 2 0 272.349 -1.266 20 0 CAADRP CO[C@H](C[NH3+])C(=O)NC1CC[NH+]([C@H]2CCN(C)C2=O)CC1 ZINC001550188847 894531894 /nfs/dbraw/zinc/53/18/94/894531894.db2.gz OWOCZEIVLNADNI-NWDGAFQWSA-N 2 0 298.387 -1.229 20 0 CAADRP CO[C@H](C[NH3+])C(=O)N1C[C@@H]([NH3+])[C@@H](c2cnn(C)c2)C1 ZINC001550188584 894531944 /nfs/dbraw/zinc/53/19/44/894531944.db2.gz YTHINROHNSIKGL-GMTAPVOTSA-N 2 0 267.333 -1.353 20 0 CAADRP CN1CC[N@H+](C)CC(C(=O)N2CC[NH+]3C[C@H](O)C[C@@H]3C2)C1 ZINC001550393297 894532826 /nfs/dbraw/zinc/53/28/26/894532826.db2.gz DWMHVYQJQRNERM-ZIAGYGMSSA-N 2 0 296.415 -1.243 20 0 CAADRP CN1CC[N@H+](C)CC(C(=O)N2CC[NH+]3C[C@@H](O)C[C@H]3C2)C1 ZINC001550393295 894533404 /nfs/dbraw/zinc/53/34/04/894533404.db2.gz DWMHVYQJQRNERM-KBPBESRZSA-N 2 0 296.415 -1.243 20 0 CAADRP N[C@@H]1CN(C(=O)N[C@@H]2CC[NH2+]C23CCC3)C[C@H]1[NH3+] ZINC001550269518 894533428 /nfs/dbraw/zinc/53/34/28/894533428.db2.gz CNORRCXIILKQJE-OPRDCNLKSA-N 2 0 253.350 -1.049 20 0 CAADRP CO[C@H](C[NH3+])C(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC001550182773 894533657 /nfs/dbraw/zinc/53/36/57/894533657.db2.gz QMFJOFISQHRCKH-GHMZBOCLSA-N 2 0 256.350 -1.534 20 0 CAADRP CO[C@@H](C[NH3+])C(=O)N1CC[C@@H](N2CC[NH+](C)CC2)C1 ZINC001550192249 894533698 /nfs/dbraw/zinc/53/36/98/894533698.db2.gz FWQWVINTXCIQJC-NEPJUHHUSA-N 2 0 270.377 -1.192 20 0 CAADRP [NH3+]CC12CC(NC(=O)CNC(=O)[C@H]3CCC[NH2+]3)(C1)C2 ZINC001550119783 894534161 /nfs/dbraw/zinc/53/41/61/894534161.db2.gz XBJZEAZHDOUQOJ-UHEGKEBESA-N 2 0 266.345 -1.148 20 0 CAADRP [NH3+]CC12CC(NC(=O)CNC(=O)[C@@H]3CCC[NH2+]3)(C1)C2 ZINC001550119782 894534376 /nfs/dbraw/zinc/53/43/76/894534376.db2.gz XBJZEAZHDOUQOJ-ALXWSUNGSA-N 2 0 266.345 -1.148 20 0 CAADRP [NH3+][C@@]1(CO)CCCN(C(=O)NC[C@@H]2C[NH2+]CCCO2)C1 ZINC001550730252 894536822 /nfs/dbraw/zinc/53/68/22/894536822.db2.gz GNJVIJHVYOUVLA-AAEUAGOBSA-N 2 0 286.376 -1.140 20 0 CAADRP CNC(=O)[C@@]12C[N@@H+]([C@@H]3C[C@H]([NH3+])C[C@@H]3O)C[C@H]1COCC2 ZINC001551405342 894536925 /nfs/dbraw/zinc/53/69/25/894536925.db2.gz ARJXUTZTKXDHKP-HNRZYHPDSA-N 2 0 283.372 -1.079 20 0 CAADRP O=C(NC[C@@H]1C[NH2+]CCCO1)N1CC[NH2+]C[C@@H](O)C1 ZINC001550736337 894538713 /nfs/dbraw/zinc/53/87/13/894538713.db2.gz RDZMTYWSVLDMGC-MNOVXSKESA-N 2 0 272.349 -1.659 20 0 CAADRP O=C(CNC(=O)[C@@]12C[NH2+]C[C@@H]1COC2)N1CC[NH2+]CC1 ZINC001552194710 894542907 /nfs/dbraw/zinc/54/29/07/894542907.db2.gz PLWBGHDQEBGMQG-ZWNOBZJWSA-N 2 0 282.344 -2.230 20 0 CAADRP O=C(NCCN1CC[NH2+]CC1)[C@@]12C[NH2+]C[C@@H]1COC2 ZINC001552194007 894543480 /nfs/dbraw/zinc/54/34/80/894543480.db2.gz IPSFYMVHZQWMTE-DGCLKSJQSA-N 2 0 268.361 -1.756 20 0 CAADRP CO[C@@H]1C[NH2+]C[C@@H]1c1cn(CC(=O)N[C@H](C)[C@@H](C)[NH3+])nn1 ZINC001552164192 894543510 /nfs/dbraw/zinc/54/35/10/894543510.db2.gz PRXVAUBVYQRMAK-DNRKLUKYSA-N 2 0 296.375 -1.168 20 0 CAADRP [NH3+]CC1(O)CCN(C(=O)[C@@H]2C[NH2+]CCOC2)CC1 ZINC001552089815 894543850 /nfs/dbraw/zinc/54/38/50/894543850.db2.gz GIGWWENNHYRMII-SNVBAGLBSA-N 2 0 257.334 -1.465 20 0 CAADRP CN1CCN(C(=O)c2cn([C@@H]3CC[NH2+]C3)nn2)[C@H](C[NH3+])C1 ZINC001552161051 894543860 /nfs/dbraw/zinc/54/38/60/894543860.db2.gz KOARRVFEBZHBSV-GHMZBOCLSA-N 2 0 293.375 -1.473 20 0 CAADRP O=C(N[C@H]1CC[NH2+]C1)c1cn([C@H]2CC[NH2+]C2)nn1 ZINC001552162574 894543893 /nfs/dbraw/zinc/54/38/93/894543893.db2.gz BKLLPMUWIACSDX-IUCAKERBSA-N 2 0 250.306 -1.096 20 0 CAADRP CO[C@@H]1C[NH2+]C[C@H]1c1cn(CC(=O)N(C)[C@H](C)C[NH3+])nn1 ZINC001552163158 894544084 /nfs/dbraw/zinc/54/40/84/894544084.db2.gz WFCRWFFYRWMYKM-JFGNBEQYSA-N 2 0 296.375 -1.215 20 0 CAADRP CO[C@H]1C[NH2+]C[C@H]1c1cn(CC(=O)NC(C)(C)C[NH3+])nn1 ZINC001552163946 894544117 /nfs/dbraw/zinc/54/41/17/894544117.db2.gz ZNGGMNGNYLSSKQ-ONGXEEELSA-N 2 0 296.375 -1.167 20 0 CAADRP O=C(c1cn([C@@H]2CC[NH2+]C2)nn1)N1CC[NH2+]CC1 ZINC001552162982 894544204 /nfs/dbraw/zinc/54/42/04/894544204.db2.gz RFGVNVZRHPOTKW-SECBINFHSA-N 2 0 250.306 -1.142 20 0 CAADRP CN(CCN1CC[NH2+]CC1)C(=O)[C@H]1C[NH2+]CCOC1 ZINC001552163011 894544364 /nfs/dbraw/zinc/54/43/64/894544364.db2.gz IVTYSDVGHBFTRS-LBPRGKRZSA-N 2 0 270.377 -1.414 20 0 CAADRP CN(CCN1CC[NH2+]CC1)C(=O)[C@]12C[NH2+]C[C@@H]1COC2 ZINC001552195292 894544490 /nfs/dbraw/zinc/54/44/90/894544490.db2.gz ZNCRCHUHBCRJEP-OCCSQVGLSA-N 2 0 282.388 -1.414 20 0 CAADRP CO[C@@H]1C[NH2+]C[C@H]1c1cn(CC(=O)N(C)CC[NH3+])nn1 ZINC001552089734 894544593 /nfs/dbraw/zinc/54/45/93/894544593.db2.gz IDLDPZTYXMEIKB-GXSJLCMTSA-N 2 0 282.348 -1.603 20 0 CAADRP CO[C@@H]1C[NH2+]C[C@@H]1c1cn(CC(=O)N2CC[NH2+]CC2)nn1 ZINC001552163161 894544714 /nfs/dbraw/zinc/54/47/14/894544714.db2.gz ULTZPDPOCSNGEM-ZYHUDNBSSA-N 2 0 294.359 -1.588 20 0 CAADRP O=C(NC[C@H]1C[NH2+]CCO1)c1cn([C@H]2CC[NH2+]C2)nn1 ZINC001552091450 894544826 /nfs/dbraw/zinc/54/48/26/894544826.db2.gz YODTUYHLDZPQLF-VHSXEESVSA-N 2 0 280.332 -1.469 20 0 CAADRP O=C(CNC(=O)[C@]12C[NH2+]C[C@@H]1COC2)N1CC[NH2+]CC1 ZINC001552194709 894544979 /nfs/dbraw/zinc/54/49/79/894544979.db2.gz PLWBGHDQEBGMQG-MFKMUULPSA-N 2 0 282.344 -2.230 20 0 CAADRP O=C(NCCN1CC[NH2+]CC1)[C@@]12C[NH2+]C[C@H]1COC2 ZINC001552194011 894545360 /nfs/dbraw/zinc/54/53/60/894545360.db2.gz IPSFYMVHZQWMTE-WCQYABFASA-N 2 0 268.361 -1.756 20 0 CAADRP CO[C@@H]1C[NH2+]C[C@@H]1c1cn(CC(=O)NCC(C)(C)[NH3+])nn1 ZINC001552160205 894545410 /nfs/dbraw/zinc/54/54/10/894545410.db2.gz BRUAKLQJEAEATI-MWLCHTKSSA-N 2 0 296.375 -1.167 20 0 CAADRP O=C(NCCN1CC[NH2+]CC1)[C@H]1C[NH2+]CCOC1 ZINC001552162689 894545459 /nfs/dbraw/zinc/54/54/59/894545459.db2.gz DZXUSKZTOSNEEK-NSHDSACASA-N 2 0 256.350 -1.756 20 0 CAADRP O=C([C@@H]1C[NH2+]CCOC1)N1CCO[C@H]2C[NH2+]C[C@H]21 ZINC001552090751 894545490 /nfs/dbraw/zinc/54/54/90/894545490.db2.gz SYQRFGFJCVIFPI-MXWKQRLJSA-N 2 0 255.318 -1.578 20 0 CAADRP C[C@H](CNC(=O)[C@]12C[NH2+]C[C@@H]1COC2)N1CC[NH+](C)CC1 ZINC001552202583 894546188 /nfs/dbraw/zinc/54/61/88/894546188.db2.gz KQTMUEGXVQRKQI-NFAWXSAZSA-N 2 0 296.415 -1.026 20 0 CAADRP O=C(N1C[C@H]2C[NH2+]C[C@H]2C1)[C@@]12C[NH2+]C[C@H]1COC2 ZINC001552202226 894546568 /nfs/dbraw/zinc/54/65/68/894546568.db2.gz FDXSCDOSSSKWNH-SRRSOLGSSA-N 2 0 251.330 -1.100 20 0 CAADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)[C@]12C[NH2+]C[C@@H]1COC2 ZINC001552203218 894546707 /nfs/dbraw/zinc/54/67/07/894546707.db2.gz WSQQZXFITJVTQV-BZPMIXESSA-N 2 0 282.388 -1.416 20 0 CAADRP C[NH+]1CCN(CCNC(=O)[C@@]23C[NH2+]C[C@H]2COC3)CC1 ZINC001552200567 894546969 /nfs/dbraw/zinc/54/69/69/894546969.db2.gz MYRVBMGVRMWRIJ-GXTWGEPZSA-N 2 0 282.388 -1.414 20 0 CAADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)[C@@]12C[NH2+]C[C@H]1COC2 ZINC001552203223 894547363 /nfs/dbraw/zinc/54/73/63/894547363.db2.gz WSQQZXFITJVTQV-OUCADQQQSA-N 2 0 282.388 -1.416 20 0 CAADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)[C@@]12C[NH2+]C[C@H]1COC2 ZINC001552202161 894547433 /nfs/dbraw/zinc/54/74/33/894547433.db2.gz BSEKPLIJODVCFR-VNHYZAJKSA-N 2 0 296.415 -1.026 20 0 CAADRP O=C(N1CCN([C@@H]2CC[NH2+]C2)CC1)[C@@]12C[NH2+]C[C@@H]1COC2 ZINC001552202529 894547486 /nfs/dbraw/zinc/54/74/86/894547486.db2.gz IKNMAZKJYODHCU-UMVBOHGHSA-N 2 0 294.399 -1.272 20 0 CAADRP [NH3+]C[C@@H]1CN(C(=O)[C@@]23C[NH2+]C[C@@H]2COC3)CCO1 ZINC001552202794 894548010 /nfs/dbraw/zinc/54/80/10/894548010.db2.gz PRXYBAJGFYOAPS-CKYFFXLPSA-N 2 0 255.318 -1.592 20 0 CAADRP CC[NH+]1CCN(CCNC(=O)[C@@]23C[NH2+]C[C@@H]2COC3)CC1 ZINC001552203260 894548754 /nfs/dbraw/zinc/54/87/54/894548754.db2.gz XERHBYGVJNDPCG-UKRRQHHQSA-N 2 0 296.415 -1.024 20 0 CAADRP [NH3+]C[C@@H]1CN(C(=O)[C@@]23C[NH2+]C[C@H]2COC3)CCO1 ZINC001552202798 894548976 /nfs/dbraw/zinc/54/89/76/894548976.db2.gz PRXYBAJGFYOAPS-HOSYDEDBSA-N 2 0 255.318 -1.592 20 0 CAADRP CO[C@@H]1C[NH2+]C[C@@H]1c1cn(CC(=O)N(C)C[C@@H](C)[NH3+])nn1 ZINC001552257532 894550525 /nfs/dbraw/zinc/55/05/25/894550525.db2.gz MKPUUWZHUONXDL-CKYFFXLPSA-N 2 0 296.375 -1.215 20 0 CAADRP [NH3+][C@@H]1CN(C(=O)[C@]23C[NH2+]C[C@H]2COC3)C[C@@H]1n1ccnn1 ZINC001552255682 894551397 /nfs/dbraw/zinc/55/13/97/894551397.db2.gz IXDJWZZRTDRTRO-NOHGZBONSA-N 2 0 292.343 -1.775 20 0 CAADRP [NH3+][C@@H]1CN(C(=O)[C@H]2C[NH2+]CCOC2)C[C@H]1n1ccnn1 ZINC001552256386 894551947 /nfs/dbraw/zinc/55/19/47/894551947.db2.gz KJHCGUNVCUJBJB-HBNTYKKESA-N 2 0 280.332 -1.775 20 0 CAADRP [NH3+]CC1(NC(=O)[C@@H]2C[NH2+]CCOC2)CCOCC1 ZINC001552275410 894553512 /nfs/dbraw/zinc/55/35/12/894553512.db2.gz YQXUVAMDPSXHFJ-SNVBAGLBSA-N 2 0 257.334 -1.154 20 0 CAADRP O=C(NC[C@@H]1COCC[NH2+]1)[C@@]12C[NH2+]C[C@@H]1COC2 ZINC001552273292 894554323 /nfs/dbraw/zinc/55/43/23/894554323.db2.gz CFLKEEGCQXCYEV-CKYFFXLPSA-N 2 0 255.318 -1.673 20 0 CAADRP O=C(N[C@@H]1C[NH2+]C[C@H]1F)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC001552358104 894555239 /nfs/dbraw/zinc/55/52/39/894555239.db2.gz YCYYWVKVBGKSCN-IJLUTSLNSA-N 2 0 285.367 -1.015 20 0 CAADRP O=C(NC[C@@H]1C[NH2+]CCO1)c1cnnn1C1CC[NH2+]CC1 ZINC001552440599 894556491 /nfs/dbraw/zinc/55/64/91/894556491.db2.gz DJAXGOUARANBCL-NSHDSACASA-N 2 0 294.359 -1.079 20 0 CAADRP O=C(NC[C@H]1COCC[NH2+]1)c1cnnn1C1CC[NH2+]CC1 ZINC001552849554 894556793 /nfs/dbraw/zinc/55/67/93/894556793.db2.gz OPNSFAYZGPFKJG-JTQLQIEISA-N 2 0 294.359 -1.079 20 0 CAADRP N[C@@H]1CN(C(=O)N2CCC[C@@H]3[NH2+]CC[C@@H]32)C[C@H]1[NH3+] ZINC001552959939 894556855 /nfs/dbraw/zinc/55/68/55/894556855.db2.gz IZLMBJTYQNQQAX-ZNSHCXBVSA-N 2 0 253.350 -1.097 20 0 CAADRP N[C@@H]1CN(C(=O)N2CCC[C@@H]3[NH2+]CC[C@H]32)C[C@H]1[NH3+] ZINC001552959937 894557411 /nfs/dbraw/zinc/55/74/11/894557411.db2.gz IZLMBJTYQNQQAX-CHWFTXMASA-N 2 0 253.350 -1.097 20 0 CAADRP N[C@@H]1CN(C(=O)N2CCC[C@@H]3[NH2+]CC[C@@H]32)C[C@@H]1[NH3+] ZINC001552959938 894557943 /nfs/dbraw/zinc/55/79/43/894557943.db2.gz IZLMBJTYQNQQAX-VLEAKVRGSA-N 2 0 253.350 -1.097 20 0 CAADRP O=C(CNC(=O)[C@@H]1C[C@H]2OCC[C@@H]2[NH2+]1)N1CC[NH2+]CC1 ZINC001553403284 894559306 /nfs/dbraw/zinc/55/93/06/894559306.db2.gz XGSVRHISUDYSIE-GARJFASQSA-N 2 0 282.344 -1.946 20 0 CAADRP O=C(CNC(=O)[C@@]12C[NH2+]C[C@H]1COCC2)N1CC[NH2+]CC1 ZINC001553351163 894559564 /nfs/dbraw/zinc/55/95/64/894559564.db2.gz JQRDPTISHGCVRJ-FZMZJTMJSA-N 2 0 296.371 -1.840 20 0 CAADRP C[N@@H+]1CC[C@]2(C(=O)NCCC(N)=O)C[NH2+]C[C@@H]2C1 ZINC001553386620 894560666 /nfs/dbraw/zinc/56/06/66/894560666.db2.gz WSCJJJIMCQPOJK-SKDRFNHKSA-N 2 0 254.334 -1.481 20 0 CAADRP CN1CC[C@@]2(C(=O)N3CC[NH2+]CC3)C[NH2+]C[C@@H]2C1 ZINC001553348689 894560774 /nfs/dbraw/zinc/56/07/74/894560774.db2.gz LNDBAAULEKXZHX-DGCLKSJQSA-N 2 0 252.362 -1.041 20 0 CAADRP [NH3+][C@@H]1C[C@H](C(=O)NCCN2CC[NH2+]CC2)[C@@H]2C[C@@H]21 ZINC001553352110 894560880 /nfs/dbraw/zinc/56/08/80/894560880.db2.gz NSVGLSDSHLUHBZ-NOOOWODRSA-N 2 0 252.362 -1.009 20 0 CAADRP O=C(CNC(=O)[C@@H]1C[C@@H]2OCC[C@H]2[NH2+]1)N1CC[NH2+]CC1 ZINC001553403288 894561203 /nfs/dbraw/zinc/56/12/03/894561203.db2.gz XGSVRHISUDYSIE-VWYCJHECSA-N 2 0 282.344 -1.946 20 0 CAADRP O=C(CNC(=O)[C@]12C[NH2+]C[C@@H]1COCC2)N1CC[NH2+]CC1 ZINC001553351160 894561250 /nfs/dbraw/zinc/56/12/50/894561250.db2.gz JQRDPTISHGCVRJ-BXUZGUMPSA-N 2 0 296.371 -1.840 20 0 CAADRP CN(CCN1CC[NH2+]CC1)C(=O)[C@@]12C[NH2+]C[C@@H]1CCOC2 ZINC001553353410 894561412 /nfs/dbraw/zinc/56/14/12/894561412.db2.gz MLNIHWOISKIGNR-DZGCQCFKSA-N 2 0 296.415 -1.024 20 0 CAADRP CN(CCN1CC[NH2+]CC1)C(=O)[C@@]12C[NH2+]C[C@@H]1COCC2 ZINC001553353403 894561436 /nfs/dbraw/zinc/56/14/36/894561436.db2.gz LYFQIBJXRSEHGY-HIFRSBDPSA-N 2 0 296.415 -1.024 20 0 CAADRP CN(CCN1CC[NH2+]CC1)C(=O)[C@@]12C[NH2+]C[C@H]1COCC2 ZINC001553353405 894561828 /nfs/dbraw/zinc/56/18/28/894561828.db2.gz LYFQIBJXRSEHGY-ZFWWWQNUSA-N 2 0 296.415 -1.024 20 0 CAADRP O=C(CNC(=O)[C@@]12C[NH2+]C[C@H]1CCOC2)N1CC[NH2+]CC1 ZINC001553350699 894562159 /nfs/dbraw/zinc/56/21/59/894562159.db2.gz ISOBUJUEEAPKDI-BXUZGUMPSA-N 2 0 296.371 -1.840 20 0 CAADRP O=C(NCCN1CC[NH2+]CC1)[C@@H]1C[C@@H]2OCC[C@@H]2[NH2+]1 ZINC001553401668 894562374 /nfs/dbraw/zinc/56/23/74/894562374.db2.gz KLKZZJTYEFMGCW-SRVKXCTJSA-N 2 0 268.361 -1.473 20 0 CAADRP O=C(NC[C@@H]1COCC[NH2+]1)[C@@H]1C[C@H]2OCC[C@H]2[NH2+]1 ZINC001553425772 894564159 /nfs/dbraw/zinc/56/41/59/894564159.db2.gz UJODRXLHWAPTPC-CHWFTXMASA-N 2 0 255.318 -1.390 20 0 CAADRP C[NH+]1CCN(CCNC(=O)[C@@H]2C[C@@H]3OCC[C@H]3[NH2+]2)CC1 ZINC001553412056 894564281 /nfs/dbraw/zinc/56/42/81/894564281.db2.gz SVLIGTNYVJADDQ-AGIUHOORSA-N 2 0 282.388 -1.131 20 0 CAADRP [NH3+]C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3OCC[C@H]3[NH2+]2)CCO1 ZINC001553405787 894564521 /nfs/dbraw/zinc/56/45/21/894564521.db2.gz DLHYEGKVMVMPSP-ZNSHCXBVSA-N 2 0 255.318 -1.308 20 0 CAADRP O=C([C@@H]1C[C@@H]2OCC[C@H]2[NH2+]1)N1CC[NH2+]C[C@@H](O)C1 ZINC001553429122 894564635 /nfs/dbraw/zinc/56/46/35/894564635.db2.gz POQBDMDBQYBHFZ-ZNSHCXBVSA-N 2 0 255.318 -1.702 20 0 CAADRP C[NH+](C)[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3OCC[C@H]3[NH2+]2)C[C@@H]1O ZINC001553416818 894564777 /nfs/dbraw/zinc/56/47/77/894564777.db2.gz CNNWVNVDSJTDHG-LVEVGFFFSA-N 2 0 269.345 -1.361 20 0 CAADRP O=C(NC[C@@H]1COCC[NH2+]1)[C@@H]1C[C@@H]2OCC[C@@H]2[NH2+]1 ZINC001553425774 894564959 /nfs/dbraw/zinc/56/49/59/894564959.db2.gz UJODRXLHWAPTPC-RCWTZXSCSA-N 2 0 255.318 -1.390 20 0 CAADRP [NH3+][C@@H]1COCCN(C(=O)[C@@H]2C[C@H]3OCC[C@@H]3[NH2+]2)C1 ZINC001553429824 894565103 /nfs/dbraw/zinc/56/51/03/894565103.db2.gz LECGKECDPZQDDC-XWLWVQCSSA-N 2 0 255.318 -1.308 20 0 CAADRP O=C([C@@H]1C[C@@H]2OCC[C@@H]2[NH2+]1)N1CC[NH2+]C[C@H](O)C1 ZINC001553429116 894565726 /nfs/dbraw/zinc/56/57/26/894565726.db2.gz POQBDMDBQYBHFZ-NAKRPEOUSA-N 2 0 255.318 -1.702 20 0 CAADRP O=C(CNC(=O)N[C@@]12CCC[C@H]1C[NH2+]C2)N1CC[NH2+]CC1 ZINC001553495656 894566628 /nfs/dbraw/zinc/56/66/28/894566628.db2.gz XFFJXWJQKLTBQL-SMDDNHRTSA-N 2 0 295.387 -1.141 20 0 CAADRP N[C@@H]1CN(C(=O)N[C@]23CCC[C@@H]2C[NH2+]C3)C[C@H]1[NH3+] ZINC001553529187 894566689 /nfs/dbraw/zinc/56/66/89/894566689.db2.gz PNBXDRQRSMIHSS-BFLSOPEQSA-N 2 0 253.350 -1.192 20 0 CAADRP O=C(CNC(=O)N[C@@]12CCC[C@@H]1C[NH2+]C2)N1CC[NH2+]CC1 ZINC001553495653 894567188 /nfs/dbraw/zinc/56/71/88/894567188.db2.gz XFFJXWJQKLTBQL-BXUZGUMPSA-N 2 0 295.387 -1.141 20 0 CAADRP N[C@@H]1CN(C(=O)N[C@]23CCC[C@H]2C[NH2+]C3)C[C@H]1[NH3+] ZINC001553529195 894567402 /nfs/dbraw/zinc/56/74/02/894567402.db2.gz PNBXDRQRSMIHSS-XNDJQWLSSA-N 2 0 253.350 -1.192 20 0 CAADRP C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2C[NH+](C3CCOCC3)C2)C1 ZINC001553649482 894568319 /nfs/dbraw/zinc/56/83/19/894568319.db2.gz ONPJLHWYIPQHRV-CHWSQXEVSA-N 2 0 283.372 -1.112 20 0 CAADRP [NH3+][C@@H]1CN(C(=O)[C@@H]2C[C@@H]3OCC[C@@H]3[NH2+]2)C[C@H]1n1ccnn1 ZINC001553437082 894568367 /nfs/dbraw/zinc/56/83/67/894568367.db2.gz YGXFQECYXJBQGH-IIRVCBMXSA-N 2 0 292.343 -1.492 20 0 CAADRP O=C(CNC(=O)N[C@]12CCC[C@@H]1C[NH2+]C2)N1CC[NH2+]CC1 ZINC001553495655 894568591 /nfs/dbraw/zinc/56/85/91/894568591.db2.gz XFFJXWJQKLTBQL-RISCZKNCSA-N 2 0 295.387 -1.141 20 0 CAADRP CN1CC[N@H+](C)CC(C(=O)N[C@@H]2C[NH+](C)C[C@H]2O)C1 ZINC001553647656 894569012 /nfs/dbraw/zinc/56/90/12/894569012.db2.gz HDBRWJAMVTUHKQ-VXGBXAGGSA-N 2 0 270.377 -1.729 20 0 CAADRP C[NH+](C)CCN1C[C@H](C(=O)N[C@@H]2CC[NH2+]C2)CC1=O ZINC000126954482 230175926 /nfs/dbraw/zinc/17/59/26/230175926.db2.gz IBPHFILMMIRKMB-GHMZBOCLSA-N 2 0 268.361 -1.125 20 0 CAADRP C[NH2+][C@@H](C)C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000573338112 334929315 /nfs/dbraw/zinc/92/93/15/334929315.db2.gz DCQNBRJGQGCQFJ-VHSXEESVSA-N 2 0 256.350 -1.092 20 0 CAADRP C[NH+](C)CCN1C(=O)C[C@@H]([N@@H+]2CCC[C@@H](C(N)=O)C2)C1=O ZINC000359204698 282098202 /nfs/dbraw/zinc/09/82/02/282098202.db2.gz JGXHQRUKQGBFPN-GHMZBOCLSA-N 2 0 296.371 -1.127 20 0 CAADRP COC[C@H]([NH3+])C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000262223297 230227227 /nfs/dbraw/zinc/22/72/27/230227227.db2.gz FVPMHLPXHMKIQW-LBPRGKRZSA-N 2 0 298.387 -1.273 20 0 CAADRP C[C@H]1CCC[N@H+](CCNC(=O)CNC(=O)C[NH3+])C1 ZINC000262463103 230227739 /nfs/dbraw/zinc/22/77/39/230227739.db2.gz XWXWXDCBJWCEBZ-JTQLQIEISA-N 2 0 256.350 -1.091 20 0 CAADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1C[C@H](O)C[NH2+]1 ZINC000262545005 230227815 /nfs/dbraw/zinc/22/78/15/230227815.db2.gz RUGFGXBCMJDHLA-GRYCIOLGSA-N 2 0 271.361 -1.064 20 0 CAADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N1CC[NH2+]CC1 ZINC000419534204 230254632 /nfs/dbraw/zinc/25/46/32/230254632.db2.gz JPSVFXKSWKTRJN-GFCCVEGCSA-N 2 0 298.387 -1.355 20 0 CAADRP O=C(NCC[N@@H+]1CCCOCC1)[C@H]1C[NH2+]CCO1 ZINC000424177779 230277780 /nfs/dbraw/zinc/27/77/80/230277780.db2.gz VEVZKSGOTBZSKQ-LLVKDONJSA-N 2 0 257.334 -1.187 20 0 CAADRP COCC(C)(C)[NH+]1CCN(C(=O)CNC(=O)C[NH3+])CC1 ZINC000424217065 230282468 /nfs/dbraw/zinc/28/24/68/230282468.db2.gz KJLLFQIGUORHRU-UHFFFAOYSA-N 2 0 286.376 -1.370 20 0 CAADRP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)[C@H]2C[NH2+]CCO2)C1 ZINC000430899126 230311191 /nfs/dbraw/zinc/31/11/91/230311191.db2.gz YVRPFAOUCOCZMS-VXGBXAGGSA-N 2 0 298.387 -1.322 20 0 CAADRP O[C@@H]1C[NH+](CCCCC[N@@H+]2C[C@@H](O)[C@@H](O)C2)C[C@@H]1O ZINC000444710246 230337386 /nfs/dbraw/zinc/33/73/86/230337386.db2.gz USGZRCGDMMGZDG-MPZDIEGVSA-N 2 0 274.361 -1.769 20 0 CAADRP CN1C[C@H]([NH2+][C@@H]2CC(=O)N(CC[NH+](C)C)C2=O)CCC1=O ZINC000573455284 334939179 /nfs/dbraw/zinc/93/91/79/334939179.db2.gz GVXMERVLQHCECB-GHMZBOCLSA-N 2 0 296.371 -1.114 20 0 CAADRP C[N@@H+]1CC[C@H]2CCN(C(=O)C(=O)N3CC[NH2+]CC3)[C@H]2C1 ZINC000423558005 529807344 /nfs/dbraw/zinc/80/73/44/529807344.db2.gz IVGXHFASTVPLOQ-RYUDHWBXSA-N 2 0 280.372 -1.029 20 0 CAADRP CNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000221175087 529880373 /nfs/dbraw/zinc/88/03/73/529880373.db2.gz MSEJZNJFMWANGF-NXEZZACHSA-N 2 0 299.375 -1.383 20 0 CAADRP CNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000221175144 529880648 /nfs/dbraw/zinc/88/06/48/529880648.db2.gz MSEJZNJFMWANGF-VHSXEESVSA-N 2 0 299.375 -1.383 20 0 CAADRP C[N@H+](CCC(=O)N1CCOCC1)CC(=O)N1CC[NH2+]CC1 ZINC000430640271 529870563 /nfs/dbraw/zinc/87/05/63/529870563.db2.gz QTFBJHJBTFUSOI-UHFFFAOYSA-N 2 0 298.387 -1.401 20 0 CAADRP CN(C)C(=O)C[N@H+](C)CCC(=O)N1CC[NH2+]CC1 ZINC000053298620 529870681 /nfs/dbraw/zinc/87/06/81/529870681.db2.gz CBRJKNOIIREOKT-UHFFFAOYSA-N 2 0 256.350 -1.172 20 0 CAADRP CN(CC[NH+]1CCCC1)C(=O)C(=O)N1CC[NH2+]CC1 ZINC000063054743 529907453 /nfs/dbraw/zinc/90/74/53/529907453.db2.gz BSKJATVKZWRVNR-UHFFFAOYSA-N 2 0 268.361 -1.028 20 0 CAADRP CN(C[C@H]1CCC[N@@H+]1C)C(=O)C(=O)N1CC[NH2+]CC1 ZINC000423731341 529965972 /nfs/dbraw/zinc/96/59/72/529965972.db2.gz XTRRLUKBLSEHRP-LLVKDONJSA-N 2 0 268.361 -1.029 20 0 CAADRP C[C@H](O)C[N@@H+]1CCN(C(=O)CNC(=O)C[NH3+])C[C@H]1C ZINC000347671991 290091604 /nfs/dbraw/zinc/09/16/04/290091604.db2.gz BEMALLDSBLYXTJ-ZJUUUORDSA-N 2 0 272.349 -2.025 20 0 CAADRP C[N@@H+]1CC[C@@H]2OCCN(C(=O)[C@H]3C[NH2+]CCO3)[C@@H]2C1 ZINC000424186719 290166680 /nfs/dbraw/zinc/16/66/80/290166680.db2.gz TVUCXPWGTADKGH-GRYCIOLGSA-N 2 0 269.345 -1.094 20 0 CAADRP C[C@@H]([NH3+])CNC(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000194916617 545591684 /nfs/dbraw/zinc/59/16/84/545591684.db2.gz SWKWFNHZDQWAJG-ZJUUUORDSA-N 2 0 256.350 -1.140 20 0 CAADRP C[C@H]([NH3+])CNC(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000194916602 545592085 /nfs/dbraw/zinc/59/20/85/545592085.db2.gz SWKWFNHZDQWAJG-UWVGGRQHSA-N 2 0 256.350 -1.140 20 0 CAADRP O=C([C@@H]1C[NH2+]CCO1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000343643249 296055576 /nfs/dbraw/zinc/05/55/76/296055576.db2.gz PVHYAIKYIAACKC-NEPJUHHUSA-N 2 0 268.361 -1.519 20 0 CAADRP COCC[NH2+]CC(=O)N(C)CC(=O)N1CC[NH2+]CC1 ZINC000574153306 334996026 /nfs/dbraw/zinc/99/60/26/334996026.db2.gz IKRYIPFCKTVHJF-UHFFFAOYSA-N 2 0 272.349 -1.887 20 0 CAADRP COCC[NH2+]CCNC(=O)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000574276276 335005989 /nfs/dbraw/zinc/00/59/89/335005989.db2.gz SBSIKWLYAFLHOH-NSHDSACASA-N 2 0 296.375 -1.004 20 0 CAADRP COCC[N@H+](C)C[C@@H](O)CN(C)[C@@H]1COC[C@H]1O ZINC000574337765 335011830 /nfs/dbraw/zinc/01/18/30/335011830.db2.gz WULOQNMUAJOYBY-IJLUTSLNSA-N 2 0 262.350 -1.383 20 0 CAADRP COCC[N@H+](C)CCNC(=O)C(=O)N[C@H](C)C[C@H](C)[NH3+] ZINC000584053733 372817041 /nfs/dbraw/zinc/81/70/41/372817041.db2.gz WGIBBGAPPAXSMM-WDEREUQCSA-N 2 0 288.392 -1.077 20 0 CAADRP COCC[N@H+](C)C[C@@H](O)CN1CC[NH+](CCO)C[C@H]1C ZINC000568181078 372838697 /nfs/dbraw/zinc/83/86/97/372838697.db2.gz JUZRRWPTCJCDKB-ZIAGYGMSSA-N 2 0 289.420 -1.076 20 0 CAADRP COCC[N@H+](C)C[C@H](O)CN1CC[NH+](CCO)C[C@H]1C ZINC000568181076 372839820 /nfs/dbraw/zinc/83/98/20/372839820.db2.gz JUZRRWPTCJCDKB-KGLIPLIRSA-N 2 0 289.420 -1.076 20 0 CAADRP O[C@H](CN1CCOCC1)C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000311017649 372843855 /nfs/dbraw/zinc/84/38/55/372843855.db2.gz LBIFMAFSIXLLDC-FRRDWIJNSA-N 2 0 255.362 -1.169 20 0 CAADRP C[C@@H](CN(C)CCC[NH+](C)C)Nc1nc(N)[nH+]c(N)n1 ZINC000624386448 372857187 /nfs/dbraw/zinc/85/71/87/372857187.db2.gz KMABOUGYENNHAH-VIFPVBQESA-N 2 0 282.396 -1.197 20 0 CAADRP CN(CCC[NH+](C)C)CCNc1nc(N)[nH+]c(N)n1 ZINC000624392360 372857563 /nfs/dbraw/zinc/85/75/63/372857563.db2.gz PNHPYIZPFHGTQJ-UHFFFAOYSA-N 2 0 268.369 -1.586 20 0 CAADRP C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)CNC(=O)C[NH3+])C2 ZINC000634744165 372879524 /nfs/dbraw/zinc/87/95/24/372879524.db2.gz PKOGFMOCMSTKJC-TXEJJXNPSA-N 2 0 254.334 -1.481 20 0 CAADRP C[NH+](C)CCNS(=O)(=O)C[C@@H]1C[NH2+]CCO1 ZINC000381257441 372890160 /nfs/dbraw/zinc/89/01/60/372890160.db2.gz QQLYEIOYNRBDDT-VIFPVBQESA-N 2 0 251.352 -1.544 20 0 CAADRP COC[C@@]1(C(=O)NCCN2CC[NH+](C)CC2)CC[NH2+]C1 ZINC000380821634 372901337 /nfs/dbraw/zinc/90/13/37/372901337.db2.gz GDMGEWGGFHPOAS-CQSZACIVSA-N 2 0 284.404 -1.024 20 0 CAADRP CC1(C)C[NH2+]CC[C@@H](NC(=O)CNC(=O)C[NH3+])C1 ZINC000634762161 372887338 /nfs/dbraw/zinc/88/73/38/372887338.db2.gz QXCFPVNTHLNDAH-SECBINFHSA-N 2 0 256.350 -1.044 20 0 CAADRP Nc1nc(NC[C@@H](O)C[NH+]2CCCCC2)nc(N)[nH+]1 ZINC000623858411 372902771 /nfs/dbraw/zinc/90/27/71/372902771.db2.gz LEHVQOSAMXNLJL-MRVPVSSYSA-N 2 0 267.337 -1.623 20 0 CAADRP [NH3+]CC(=O)NCC(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000037628371 372904685 /nfs/dbraw/zinc/90/46/85/372904685.db2.gz RASZEDURKWUORI-UWVGGRQHSA-N 2 0 254.334 -1.196 20 0 CAADRP CC[NH+](CC)CCOCCNc1nc(N)[nH+]c(N)n1 ZINC000624100270 372906166 /nfs/dbraw/zinc/90/61/66/372906166.db2.gz ODXPGMRANHNTAO-UHFFFAOYSA-N 2 0 269.353 -1.111 20 0 CAADRP [NH3+]CC(=O)NCC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000037812792 372910182 /nfs/dbraw/zinc/91/01/82/372910182.db2.gz NRJQWJNHZQRGGG-SNVBAGLBSA-N 2 0 254.334 -1.242 20 0 CAADRP C[NH+](C)CCN1C[C@H](C(=O)NCCC[NH3+])CC1=O ZINC000237155568 372911438 /nfs/dbraw/zinc/91/14/38/372911438.db2.gz OAHQASMJJORHFZ-SNVBAGLBSA-N 2 0 256.350 -1.139 20 0 CAADRP COCCCNC(=O)[C@H](C)N1CCN(C(=O)C[NH3+])CC1 ZINC000237216686 372916346 /nfs/dbraw/zinc/91/63/46/372916346.db2.gz QBLNXBLCBFMQSF-NSHDSACASA-N 2 0 286.376 -1.370 20 0 CAADRP CC(C)[C@H]([NH3+])C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000574414424 335018169 /nfs/dbraw/zinc/01/81/69/335018169.db2.gz RIOYHDZNIDMRTB-BBBLOLIVSA-N 2 0 254.334 -1.260 20 0 CAADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)NC1C[NH2+]C1 ZINC000642926319 372925677 /nfs/dbraw/zinc/92/56/77/372925677.db2.gz GNCXAYVPZIGBOQ-LBPRGKRZSA-N 2 0 298.387 -1.356 20 0 CAADRP COC[C@@]1(C(=O)NC[C@@H]2C[NH2+]CCO2)CCC[NH2+]1 ZINC000643801265 372935697 /nfs/dbraw/zinc/93/56/97/372935697.db2.gz VHRGKIHEBVWGNQ-CMPLNLGQSA-N 2 0 257.334 -1.140 20 0 CAADRP CN1CC[NH2+]C[C@H]1CNC(=O)CCOC1C[NH2+]C1 ZINC000572952381 372961829 /nfs/dbraw/zinc/96/18/29/372961829.db2.gz LRDAYGFAANFXEH-JTQLQIEISA-N 2 0 256.350 -1.615 20 0 CAADRP NC(=O)NC(=O)CC[NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000572714733 372962094 /nfs/dbraw/zinc/96/20/94/372962094.db2.gz WOSWYRHMSVZPHH-SNVBAGLBSA-N 2 0 299.375 -1.252 20 0 CAADRP [NH3+][C@@H]1C[C@@H]2CN(C(=O)CCOC3C[NH2+]C3)CCN2C1=O ZINC000583452191 372962870 /nfs/dbraw/zinc/96/28/70/372962870.db2.gz WIXDWUNGMCGLCT-MWLCHTKSSA-N 2 0 282.344 -1.865 20 0 CAADRP CC[NH+]1CCN(CC(=O)NC[C@H]2C[NH2+]CCN2C)CC1 ZINC000569696875 372966372 /nfs/dbraw/zinc/96/63/72/372966372.db2.gz CIGJGCCGEKLGSK-CYBMUJFWSA-N 2 0 283.420 -1.356 20 0 CAADRP CC[NH+]1CCN(CC(=O)NC[C@@H]2C[NH2+]CCN2C)CC1 ZINC000569696876 372966430 /nfs/dbraw/zinc/96/64/30/372966430.db2.gz CIGJGCCGEKLGSK-ZDUSSCGKSA-N 2 0 283.420 -1.356 20 0 CAADRP C[C@@H](C(=O)NC[C@@H](CO)NC(=O)[C@H](C)[NH+](C)C)[NH+](C)C ZINC000635798414 372969341 /nfs/dbraw/zinc/96/93/41/372969341.db2.gz VUOSELUACAZBEI-DCAQKATOSA-N 2 0 288.392 -1.520 20 0 CAADRP C[C@H](C(=O)NC[C@@H](CO)NC(=O)[C@@H](C)[NH+](C)C)[NH+](C)C ZINC000635798415 372969428 /nfs/dbraw/zinc/96/94/28/372969428.db2.gz VUOSELUACAZBEI-MXWKQRLJSA-N 2 0 288.392 -1.520 20 0 CAADRP [NH3+][C@H]1C[C@@H](C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)C1 ZINC000569744225 372981848 /nfs/dbraw/zinc/98/18/48/372981848.db2.gz HZDONRBTOMLEOO-JXUBOQSCSA-N 2 0 252.318 -1.506 20 0 CAADRP [NH3+][C@@H]1C[C@H]2CN(C(=O)NC[C@H]3CCC[NH2+]C3)CCN2C1=O ZINC000570528848 372997297 /nfs/dbraw/zinc/99/72/97/372997297.db2.gz KHMWURIIKMXUQI-SDDRHHMPSA-N 2 0 295.387 -1.061 20 0 CAADRP [NH3+][C@@H]1C[C@H]2CN(C(=O)NC[C@@H]3CCC[NH2+]C3)CCN2C1=O ZINC000570528845 372997428 /nfs/dbraw/zinc/99/74/28/372997428.db2.gz KHMWURIIKMXUQI-GRYCIOLGSA-N 2 0 295.387 -1.061 20 0 CAADRP [NH3+][C@@H]1C[C@@H]2CN(C(=O)NC[C@H]3CCC[NH2+]C3)CCN2C1=O ZINC000570528847 372998364 /nfs/dbraw/zinc/99/83/64/372998364.db2.gz KHMWURIIKMXUQI-QJPTWQEYSA-N 2 0 295.387 -1.061 20 0 CAADRP COC(=O)C[C@@H]1C(=O)NCCN1CCOCC[NH3+] ZINC000570632928 373000009 /nfs/dbraw/zinc/00/00/09/373000009.db2.gz LMCWKDUIALKLOG-SECBINFHSA-N 2 0 259.306 -1.675 20 0 CAADRP CN1CCN(C(=O)NCC(F)(F)CN)[C@@H](C[NH3+])C1 ZINC000574426983 335019063 /nfs/dbraw/zinc/01/90/63/335019063.db2.gz VUQYGKUDEQSYLV-QMMMGPOBSA-N 3 0 265.308 -1.135 20 0 CAADRP C[C@H](C[NH3+])CNC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000570818126 373002266 /nfs/dbraw/zinc/00/22/66/373002266.db2.gz LRZXHZXBLZTCOB-BBBLOLIVSA-N 2 0 269.349 -1.465 20 0 CAADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000570841583 373004412 /nfs/dbraw/zinc/00/44/12/373004412.db2.gz IJPWBVCYHXQVQR-GMTAPVOTSA-N 2 0 268.361 -1.031 20 0 CAADRP CO[C@H](C[NH3+])CC(=O)N1CCC[C@@H](N2CCNCC2=O)C1 ZINC000570926857 373004501 /nfs/dbraw/zinc/00/45/01/373004501.db2.gz MMPRDCGXXVPNIR-NEPJUHHUSA-N 2 0 298.387 -1.227 20 0 CAADRP CO[C@@H](C[NH3+])CC(=O)N1CCC[C@H](N2CCNCC2=O)C1 ZINC000570926858 373004737 /nfs/dbraw/zinc/00/47/37/373004737.db2.gz MMPRDCGXXVPNIR-NWDGAFQWSA-N 2 0 298.387 -1.227 20 0 CAADRP CN1CCN(C(=O)C[C@@H]2C[NH2+]CCO2)[C@H](C[NH3+])C1 ZINC000162513568 373010120 /nfs/dbraw/zinc/01/01/20/373010120.db2.gz XZZGRYDYKUBQJT-GHMZBOCLSA-N 2 0 256.350 -1.534 20 0 CAADRP CC1CC[NH+](C[C@@H](O)CNC(=O)CNC(=O)C[NH3+])CC1 ZINC000569720005 372983378 /nfs/dbraw/zinc/98/33/78/372983378.db2.gz KEZHIOIDJOQFRJ-NSHDSACASA-N 2 0 286.376 -1.730 20 0 CAADRP CN(CC(=O)N1CC[NH2+]CC1)C(=O)C[C@H]1COCC[NH2+]1 ZINC000570157479 372988848 /nfs/dbraw/zinc/98/88/48/372988848.db2.gz DYKDMAHDOFMWSF-NSHDSACASA-N 2 0 284.360 -1.745 20 0 CAADRP COC(=O)C[C@H]([NH3+])C(=O)N(C)CCN1CC[NH2+]CC1 ZINC000592469640 373074531 /nfs/dbraw/zinc/07/45/31/373074531.db2.gz XVIAUQMHFRLGDM-JTQLQIEISA-N 2 0 272.349 -1.760 20 0 CAADRP COCC[NH2+]CC(=O)N1CCC[NH2+]C[C@@H]1C(=O)OC ZINC000592547684 373075033 /nfs/dbraw/zinc/07/50/33/373075033.db2.gz JRQWKTFCGSZFIM-SNVBAGLBSA-N 2 0 273.333 -1.414 20 0 CAADRP COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)C[C@H]1C[NH2+]CCO1 ZINC000592548396 373077396 /nfs/dbraw/zinc/07/73/96/373077396.db2.gz OQQLNYYVRRXJCF-QWRGUYRKSA-N 2 0 285.344 -1.272 20 0 CAADRP COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)C[C@@H]1C[NH2+]CCO1 ZINC000592548395 373077436 /nfs/dbraw/zinc/07/74/36/373077436.db2.gz OQQLNYYVRRXJCF-MNOVXSKESA-N 2 0 285.344 -1.272 20 0 CAADRP COC(=O)C[C@H]([NH3+])C(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC000594452761 373102085 /nfs/dbraw/zinc/10/20/85/373102085.db2.gz VRUIMYDGUSTPJW-WHFBIAKZSA-N 2 0 257.212 -1.117 20 0 CAADRP [NH3+][C@@H]1C[C@H]2CN(C(=O)[C@H]3CCC[C@H]3[NH3+])CCN2C1=O ZINC000594878380 373106614 /nfs/dbraw/zinc/10/66/14/373106614.db2.gz HBHHFPNPAFQUKG-UKKRHICBSA-N 2 0 266.345 -1.116 20 0 CAADRP [NH3+][C@@H]1C[C@H]2CN(C(=O)[C@]34C[NH2+]C[C@H]3COC4)CCN2C1=O ZINC000594879332 373106657 /nfs/dbraw/zinc/10/66/57/373106657.db2.gz MZSYMIHMUYKEJO-DYNIEEOBSA-N 2 0 294.355 -2.007 20 0 CAADRP C[C@@H]1C[NH2+]C[C@H](C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)O1 ZINC000594878360 373107046 /nfs/dbraw/zinc/10/70/46/373107046.db2.gz GUGGMOLDGAUVLR-VPOLOUISSA-N 2 0 282.344 -1.866 20 0 CAADRP [NH3+][C@@H]1C[C@@H]2CN(C(=O)[C@@H]3C[NH2+]CCOC3)CCN2C1=O ZINC000594877910 373107205 /nfs/dbraw/zinc/10/72/05/373107205.db2.gz ARDHSGKQKTTWLB-GMTAPVOTSA-N 2 0 282.344 -2.007 20 0 CAADRP [NH3+][C@H]1C[C@@H]2CN(C(=O)CC[NH2+]C3CC3)CCN2C1=O ZINC000594878054 373107513 /nfs/dbraw/zinc/10/75/13/373107513.db2.gz BVNAGWROYRORMI-MNOVXSKESA-N 2 0 266.345 -1.101 20 0 CAADRP [NH3+][C@@H]1C[C@@H]2CN(C(=O)[C@H]3CCC[C@H]3[NH3+])CCN2C1=O ZINC000594878378 373107548 /nfs/dbraw/zinc/10/75/48/373107548.db2.gz HBHHFPNPAFQUKG-LMLFDSFASA-N 2 0 266.345 -1.116 20 0 CAADRP CC1(C)C[NH2+][C@@H]1C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000594879620 373107562 /nfs/dbraw/zinc/10/75/62/373107562.db2.gz BIPBGWOGTFRJFN-LPEHRKFASA-N 2 0 266.345 -1.245 20 0 CAADRP C[C@@H](C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1)[NH+](C)C ZINC000594880474 373107590 /nfs/dbraw/zinc/10/75/90/373107590.db2.gz NLZHTEKGVKEJOQ-LPEHRKFASA-N 2 0 254.334 -1.293 20 0 CAADRP CC1(OCC(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)C[NH2+]C1 ZINC000594879703 373107612 /nfs/dbraw/zinc/10/76/12/373107612.db2.gz KKSSHPYHDMAXIW-UWVGGRQHSA-N 2 0 282.344 -1.865 20 0 CAADRP CC(C)([NH3+])CC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000594873929 373107630 /nfs/dbraw/zinc/10/76/30/373107630.db2.gz TXAMFIMJDKHVOE-DTWKUNHWSA-N 2 0 254.334 -1.116 20 0 CAADRP CC1(C)C[NH2+][C@@H]1C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000594879619 373107745 /nfs/dbraw/zinc/10/77/45/373107745.db2.gz BIPBGWOGTFRJFN-KXUCPTDWSA-N 2 0 266.345 -1.245 20 0 CAADRP CC(C)([NH3+])CC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000594873930 373107943 /nfs/dbraw/zinc/10/79/43/373107943.db2.gz TXAMFIMJDKHVOE-IUCAKERBSA-N 2 0 254.334 -1.116 20 0 CAADRP CC1(C)C[NH2+][C@@H]1C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000594879618 373107955 /nfs/dbraw/zinc/10/79/55/373107955.db2.gz BIPBGWOGTFRJFN-IVZWLZJFSA-N 2 0 266.345 -1.245 20 0 CAADRP [NH3+][C@@H]1C[C@@H]2CN(C(=O)[C@H]3C[NH2+]CCOC3)CCN2C1=O ZINC000594877911 373107996 /nfs/dbraw/zinc/10/79/96/373107996.db2.gz ARDHSGKQKTTWLB-HBNTYKKESA-N 2 0 282.344 -2.007 20 0 CAADRP CC1(C)C[NH2+][C@@H]1C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000594879621 373108017 /nfs/dbraw/zinc/10/80/17/373108017.db2.gz BIPBGWOGTFRJFN-OPRDCNLKSA-N 2 0 266.345 -1.245 20 0 CAADRP [NH3+][C@@H]1C[C@H]2CN(C(=O)NC[C@@H]3CCC[NH2+]3)CCN2C1=O ZINC000595268457 373109264 /nfs/dbraw/zinc/10/92/64/373109264.db2.gz UORKJPIIOAMXPQ-GARJFASQSA-N 2 0 281.360 -1.308 20 0 CAADRP [NH3+][C@@H]1C[C@@H]2CN(C(=O)N[C@@H]3CC[NH2+]C3)CCN2C1=O ZINC000595267501 373109571 /nfs/dbraw/zinc/10/95/71/373109571.db2.gz MGIVGOIZXYNELI-OPRDCNLKSA-N 2 0 267.333 -1.698 20 0 CAADRP [NH3+]C[C@H](NC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1)C1CC1 ZINC000595268431 373110035 /nfs/dbraw/zinc/11/00/35/373110035.db2.gz TVVXRVGWWHOROK-DCAQKATOSA-N 2 0 281.360 -1.323 20 0 CAADRP [NH3+][C@H]1C[C@H]2CN(C(=O)NCC[NH2+]C3CC3)CCN2C1=O ZINC000595267457 373110289 /nfs/dbraw/zinc/11/02/89/373110289.db2.gz LHXRKBVPHUEMGC-QWRGUYRKSA-N 2 0 281.360 -1.308 20 0 CAADRP CC[C@H]([NH3+])CNC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000595273804 373111473 /nfs/dbraw/zinc/11/14/73/373111473.db2.gz NGAQXMFXYFJHRN-AEJSXWLSSA-N 2 0 269.349 -1.323 20 0 CAADRP C[NH2+][C@H](C)CNC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000595274580 373111837 /nfs/dbraw/zinc/11/18/37/373111837.db2.gz TZTHOLKSYFYTIU-UTLUCORTSA-N 2 0 269.349 -1.452 20 0 CAADRP CC[C@H]([NH3+])CNC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000595273816 373112232 /nfs/dbraw/zinc/11/22/32/373112232.db2.gz NGAQXMFXYFJHRN-GUBZILKMSA-N 2 0 269.349 -1.323 20 0 CAADRP C[NH2+]C[C@H](C)NC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000595276240 373112678 /nfs/dbraw/zinc/11/26/78/373112678.db2.gz WJGNOQBAHHKUQM-AEJSXWLSSA-N 2 0 269.349 -1.452 20 0 CAADRP COC(=O)CCN1CC[C@@H]([NH+]2CCC(O)(C[NH3+])CC2)C1=O ZINC000595894236 373119692 /nfs/dbraw/zinc/11/96/92/373119692.db2.gz XDEROBQBOOOAKB-LLVKDONJSA-N 2 0 299.371 -1.064 20 0 CAADRP COC(=O)CCN1CC[C@H]([NH+]2CCC(O)(C[NH3+])CC2)C1=O ZINC000595894239 373120827 /nfs/dbraw/zinc/12/08/27/373120827.db2.gz XDEROBQBOOOAKB-NSHDSACASA-N 2 0 299.371 -1.064 20 0 CAADRP [NH3+][C@@H]1C[C@H]2CN(C[C@@H]3CCC4(C[NH2+]C4)O3)CCN2C1=O ZINC000595902691 373122740 /nfs/dbraw/zinc/12/27/40/373122740.db2.gz GCZXHRMSAHTVJO-SDDRHHMPSA-N 2 0 280.372 -1.249 20 0 CAADRP [NH3+][C@@H]1C[C@@H]2CN(C(=O)[C@]3(O)CCC[NH2+]C3)CCN2C1=O ZINC000595969024 373126596 /nfs/dbraw/zinc/12/65/96/373126596.db2.gz BEPZDRIVCFFACL-BREBYQMCSA-N 2 0 282.344 -2.129 20 0 CAADRP CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)C3(O)C[NH2+]C3)C2)CC1 ZINC000595946392 373126871 /nfs/dbraw/zinc/12/68/71/373126871.db2.gz DVGQEVDPGWPRFD-CYBMUJFWSA-N 2 0 296.415 -1.052 20 0 CAADRP CC(C)[NH+]1CCN([C@H]2CCN(C(=O)C3(O)C[NH2+]C3)C2)CC1 ZINC000595946393 373127045 /nfs/dbraw/zinc/12/70/45/373127045.db2.gz DVGQEVDPGWPRFD-ZDUSSCGKSA-N 2 0 296.415 -1.052 20 0 CAADRP [NH3+][C@H]1C[C@H](C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)C1 ZINC000595969873 373127529 /nfs/dbraw/zinc/12/75/29/373127529.db2.gz HZDONRBTOMLEOO-ZYUZMQFOSA-N 2 0 252.318 -1.506 20 0 CAADRP [NH3+][C@@H]1C[C@H]2CN(C(=O)[C@]3(O)CCC[NH2+]C3)CCN2C1=O ZINC000595969025 373127896 /nfs/dbraw/zinc/12/78/96/373127896.db2.gz BEPZDRIVCFFACL-CWSCBRNRSA-N 2 0 282.344 -2.129 20 0 CAADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)CNC(=O)C[NH3+] ZINC000563094357 373217441 /nfs/dbraw/zinc/21/74/41/373217441.db2.gz GXDHZBNQPNEMSU-NSHDSACASA-N 2 0 286.376 -1.370 20 0 CAADRP [NH3+][C@@H]1CCCN(C(=O)CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000563106351 373218522 /nfs/dbraw/zinc/21/85/22/373218522.db2.gz MHZJJFOFUWZDEM-NXEZZACHSA-N 2 0 254.334 -1.196 20 0 CAADRP CC(C)NC(=O)CN(C)CC(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000563117724 373219720 /nfs/dbraw/zinc/21/97/20/373219720.db2.gz SUJDSMYOVNYNDK-IWIIMEHWSA-N 2 0 268.361 -1.223 20 0 CAADRP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)N[C@@H]1CCC[NH2+]C1 ZINC000563107246 373219780 /nfs/dbraw/zinc/21/97/80/373219780.db2.gz FNSUKRHEEMZVRO-ZJUUUORDSA-N 2 0 254.334 -1.277 20 0 CAADRP [NH3+][C@@H]1CCCN(C(=O)CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000563106352 373219858 /nfs/dbraw/zinc/21/98/58/373219858.db2.gz MHZJJFOFUWZDEM-ZJUUUORDSA-N 2 0 254.334 -1.196 20 0 CAADRP C[C@@H]1C[C@@H](NC(=O)CN2CCNCC2=O)CC[NH2+]1 ZINC000563109524 373219863 /nfs/dbraw/zinc/21/98/63/373219863.db2.gz JMBZSTZBBAVOCX-ZJUUUORDSA-N 2 0 254.334 -1.325 20 0 CAADRP CC(C)(C)[C@H]([NH3+])C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000563146549 373224494 /nfs/dbraw/zinc/22/44/94/373224494.db2.gz OCCDDKDFDDCDFD-SNVBAGLBSA-N 2 0 256.350 -1.092 20 0 CAADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000599941131 373187749 /nfs/dbraw/zinc/18/77/49/373187749.db2.gz WTRFVQZCPCBBPZ-XWLWVQCSSA-N 2 0 281.360 -1.310 20 0 CAADRP [NH3+][C@H]1C[C@@H]2CN(C(=O)N[C@@H]3CC[NH2+]C3)CCN2C1=O ZINC000599938104 373187817 /nfs/dbraw/zinc/18/78/17/373187817.db2.gz MGIVGOIZXYNELI-BBBLOLIVSA-N 2 0 267.333 -1.698 20 0 CAADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000599941130 373188108 /nfs/dbraw/zinc/18/81/08/373188108.db2.gz WTRFVQZCPCBBPZ-UKKRHICBSA-N 2 0 281.360 -1.310 20 0 CAADRP CC[NH2+][C@H](C)C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000602526837 373200734 /nfs/dbraw/zinc/20/07/34/373200734.db2.gz PVWRNNNMUSWQDP-BBBLOLIVSA-N 2 0 254.334 -1.245 20 0 CAADRP CC[NH2+][C@H](C)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000602526843 373202333 /nfs/dbraw/zinc/20/23/33/373202333.db2.gz PVWRNNNMUSWQDP-OPRDCNLKSA-N 2 0 254.334 -1.245 20 0 CAADRP C[NH2+]CCOCCN(C)C(=O)[C@@H]([NH3+])CC(=O)OC ZINC000602543978 373202628 /nfs/dbraw/zinc/20/26/28/373202628.db2.gz DIYSXZIXVOJEPJ-VIFPVBQESA-N 2 0 261.322 -1.429 20 0 CAADRP C[C@]1(C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)C[NH2+]CCO1 ZINC000602531883 373203105 /nfs/dbraw/zinc/20/31/05/373203105.db2.gz XRRXCZGNTHVNPR-GBIKHYSHSA-N 2 0 282.344 -1.865 20 0 CAADRP C[C@]1(C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)C[NH2+]CCO1 ZINC000602531891 373203490 /nfs/dbraw/zinc/20/34/90/373203490.db2.gz XRRXCZGNTHVNPR-GIPNMCIBSA-N 2 0 282.344 -1.865 20 0 CAADRP C[C@]1(C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)C[NH2+]CCO1 ZINC000602531893 373203680 /nfs/dbraw/zinc/20/36/80/373203680.db2.gz XRRXCZGNTHVNPR-OUJBWJOFSA-N 2 0 282.344 -1.865 20 0 CAADRP C[N@H+](CCNS(=O)(=O)C[C@H]1C[NH2+]CCO1)C1CC1 ZINC000310979290 373268254 /nfs/dbraw/zinc/26/82/54/373268254.db2.gz STISEEZAPUTKLM-LLVKDONJSA-N 2 0 277.390 -1.012 20 0 CAADRP C[N@H+](CCNS(=O)(=O)C[C@@H]1C[NH2+]CCO1)C1CC1 ZINC000310979292 373269064 /nfs/dbraw/zinc/26/90/64/373269064.db2.gz STISEEZAPUTKLM-NSHDSACASA-N 2 0 277.390 -1.012 20 0 CAADRP CN(C)S(=O)(=O)CC[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000311669862 373299400 /nfs/dbraw/zinc/29/94/00/373299400.db2.gz LKELXGCYRRZHKD-LBPRGKRZSA-N 2 0 290.433 -1.143 20 0 CAADRP C[C@@H](CN1CC[NH+](C)CC1)Nc1nc(N)[nH+]c(N)n1 ZINC000623953250 373301521 /nfs/dbraw/zinc/30/15/21/373301521.db2.gz XSRFYGNBGZCYMM-QMMMGPOBSA-N 2 0 266.353 -1.834 20 0 CAADRP COCC[N@@H+]1CC[C@@H](Nc2nc(N)[nH+]c(N)n2)C1 ZINC000623955027 373302369 /nfs/dbraw/zinc/30/23/69/373302369.db2.gz JPHHNYNKMQOGJJ-SSDOTTSWSA-N 2 0 253.310 -1.749 20 0 CAADRP CN1CCN(C(=O)[C@@H]2CC[C@H](C[NH3+])O2)[C@H](C[NH3+])C1 ZINC000571639699 373314648 /nfs/dbraw/zinc/31/46/48/373314648.db2.gz FMPOLLNCDIOSLY-MXWKQRLJSA-N 2 0 256.350 -1.406 20 0 CAADRP C[C@@]1(C(=O)NCC(=O)N2CC[NH2+]CC2)C[NH2+]CCO1 ZINC000637813140 373350287 /nfs/dbraw/zinc/35/02/87/373350287.db2.gz KTTRBMUBRPKJDB-LBPRGKRZSA-N 2 0 270.333 -2.087 20 0 CAADRP COC[C@]1(C(=O)NCC(=O)N2CC[NH2+]CC2)CCCC[NH2+]1 ZINC000637813267 373350363 /nfs/dbraw/zinc/35/03/63/373350363.db2.gz OIGMZAZTLHGBQF-AWEZNQCLSA-N 2 0 298.387 -1.307 20 0 CAADRP C[C@]1(C(=O)NCCN2CC[NH2+]CC2)C[NH2+]CCO1 ZINC000637811942 373350489 /nfs/dbraw/zinc/35/04/89/373350489.db2.gz TULHJPVCTKMOBN-GFCCVEGCSA-N 2 0 256.350 -1.614 20 0 CAADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)NCCN2CC[NH2+]CC2)C1 ZINC000637812285 373350829 /nfs/dbraw/zinc/35/08/29/373350829.db2.gz WWGGETGPVNOUJW-AAEUAGOBSA-N 2 0 270.377 -1.225 20 0 CAADRP C[N@@H+]1CC[C@@H](CC(=O)NCC(=O)N2CC[NH2+]CC2)C1 ZINC000637813128 373351227 /nfs/dbraw/zinc/35/12/27/373351227.db2.gz KHXBJDPQVZJMDW-NSHDSACASA-N 2 0 268.361 -1.124 20 0 CAADRP C[NH+](C)CC1(C(=O)NCC(=O)N2CC[NH2+]CC2)CC1 ZINC000637812934 373351377 /nfs/dbraw/zinc/35/13/77/373351377.db2.gz FOZXOKLPAJNBQZ-UHFFFAOYSA-N 2 0 268.361 -1.124 20 0 CAADRP CC[NH2+][C@H](C)C(=O)N(C)CC(=O)N1CC[NH2+]CC1 ZINC000637811013 373353568 /nfs/dbraw/zinc/35/35/68/373353568.db2.gz PVPHBSJQWIQNQH-SNVBAGLBSA-N 2 0 256.350 -1.125 20 0 CAADRP CO[C@@H]1C[NH2+][C@@](C)(C(=O)N(C)CC(=O)N2CC[NH2+]CC2)C1 ZINC000637811411 373353649 /nfs/dbraw/zinc/35/36/49/373353649.db2.gz UJKXNTAWBPCEEL-SMDDNHRTSA-N 2 0 298.387 -1.356 20 0 CAADRP CO[C@@H]1C[NH2+][C@@](C)(C(=O)NCC(=O)N2CC[NH2+]CC2)C1 ZINC000637811072 373354871 /nfs/dbraw/zinc/35/48/71/373354871.db2.gz QBJFZQBURPSUEU-GXFFZTMASA-N 2 0 284.360 -1.699 20 0 CAADRP C[C@@]1(C(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)C[NH2+]CCO1 ZINC000637818821 373354953 /nfs/dbraw/zinc/35/49/53/373354953.db2.gz HWNGTHIMMBGMEW-FZMZJTMJSA-N 2 0 298.387 -1.322 20 0 CAADRP C[C@H](C(=O)N(C)CC(=O)N1CC[NH2+]CC1)[NH+](C)C ZINC000637811213 373355059 /nfs/dbraw/zinc/35/50/59/373355059.db2.gz RSMONUKHUUIFIW-SNVBAGLBSA-N 2 0 256.350 -1.173 20 0 CAADRP CO[C@H]1C[NH2+][C@](C)(C(=O)N(C)CC(=O)N2CC[NH2+]CC2)C1 ZINC000637811410 373355086 /nfs/dbraw/zinc/35/50/86/373355086.db2.gz UJKXNTAWBPCEEL-RISCZKNCSA-N 2 0 298.387 -1.356 20 0 CAADRP CN(CC(=O)N1CC[NH2+]CC1)C(=O)[C@@H]1OCC[C@@H]1[NH3+] ZINC000637811523 373355124 /nfs/dbraw/zinc/35/51/24/373355124.db2.gz VLUCLZVIALTWNT-GXSJLCMTSA-N 2 0 270.333 -2.007 20 0 CAADRP CN(CC(=O)N1CC[NH2+]CC1)C(=O)[C@@]1(C[NH3+])CCCOC1 ZINC000637810633 373355343 /nfs/dbraw/zinc/35/53/43/373355343.db2.gz MTMDHVHREUQDRN-CQSZACIVSA-N 2 0 298.387 -1.368 20 0 CAADRP C[C@H]([NH3+])[C@H]1CN(C(=O)CN2CC[NH2+]CC2)CCO1 ZINC000637865857 373356414 /nfs/dbraw/zinc/35/64/14/373356414.db2.gz IUGBLKYHYQZHMX-WDEREUQCSA-N 2 0 256.350 -1.534 20 0 CAADRP CN(CCN1CC[NH2+]CC1)C(=O)[C@]1(C)C[NH2+]CCO1 ZINC000637833165 373357094 /nfs/dbraw/zinc/35/70/94/373357094.db2.gz PAZRUOYSHMCYPC-ZDUSSCGKSA-N 2 0 270.377 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C[C@@]1(C(=O)NC[C@@H]2C[N@@H+]3CCN2CCC3)C[NH2+]CCO1 ZINC000638427958 373423129 /nfs/dbraw/zinc/42/31/29/373423129.db2.gz XXETUGAAZCJNQV-OCCSQVGLSA-N 2 0 282.388 -1.129 20 0 CAADRP [NH3+][C@@H]1CCO[C@@H]1C(=O)NC[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000638424300 373423238 /nfs/dbraw/zinc/42/32/38/373423238.db2.gz HANOLAGSHDCFSD-UTUOFQBUSA-N 2 0 268.361 -1.391 20 0 CAADRP CO[C@H]1C[NH2+][C@@](C)(C(=O)N2CCOC3(C[NH2+]C3)C2)C1 ZINC000638436848 373423456 /nfs/dbraw/zinc/42/34/56/373423456.db2.gz GCALXSVWYIMIJD-ZYHUDNBSSA-N 2 0 269.345 -1.046 20 0 CAADRP C[C@]1(C(=O)NC[C@@H]2C[N@@H+]3CCN2CCC3)C[NH2+]CCO1 ZINC000638427959 373423580 /nfs/dbraw/zinc/42/35/80/373423580.db2.gz XXETUGAAZCJNQV-TZMCWYRMSA-N 2 0 282.388 -1.129 20 0 CAADRP [NH3+][C@H]1C[C@@H](C(=O)N2CCN(C(=O)N3CC[NH2+]CC3)CC2)C1 ZINC000638481090 373425205 /nfs/dbraw/zinc/42/52/05/373425205.db2.gz DKMZYJSIMKDGKD-TXEJJXNPSA-N 2 0 295.387 -1.107 20 0 CAADRP CC[C@@H]([NH3+])C(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000638480647 373425546 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COCC[N@H+](C)CCCNC(=O)CN1CC[NH2+]CC1 ZINC000638072773 373379626 /nfs/dbraw/zinc/37/96/26/373379626.db2.gz VQRKWSQNHRXRDR-UHFFFAOYSA-N 2 0 272.393 -1.024 20 0 CAADRP CC1(OCC(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)C[NH2+]C1 ZINC000638497791 373429064 /nfs/dbraw/zinc/42/90/64/373429064.db2.gz PCKPVTHUWWXNNN-NSHDSACASA-N 2 0 298.387 -1.179 20 0 CAADRP COCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2OCC[C@@H]2[NH3+])C1 ZINC000638101394 373385698 /nfs/dbraw/zinc/38/56/98/373385698.db2.gz PLAMMXMQXBATFP-OUAUKWLOSA-N 2 0 257.334 -1.061 20 0 CAADRP O=C(CN1CC[NH2+]CC1)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000638103516 373386208 /nfs/dbraw/zinc/38/62/08/373386208.db2.gz PRUNZPFCQUTJQI-ZIAGYGMSSA-N 2 0 296.415 -1.051 20 0 CAADRP C[NH+]1CCN(CCNC(=O)[C@]2(C)C[NH2+]CCO2)CC1 ZINC000638137189 373387723 /nfs/dbraw/zinc/38/77/23/373387723.db2.gz RVIOABJYSZGIOR-ZDUSSCGKSA-N 2 0 270.377 -1.272 20 0 CAADRP C[C@@H](CNC(=O)CN1CC[NH2+]CC1)C[NH+]1CCN(C)CC1 ZINC000638137192 373389155 /nfs/dbraw/zinc/38/91/55/373389155.db2.gz GUJCEAYCQKUCGB-AWEZNQCLSA-N 2 0 297.447 -1.109 20 0 CAADRP C[C@H](CNC(=O)CN1CC[NH2+]CC1)N1CC[NH+](C)CC1 ZINC000638139383 373392398 /nfs/dbraw/zinc/39/23/98/373392398.db2.gz CXVMYESAEXTMNK-CYBMUJFWSA-N 2 0 283.420 -1.356 20 0 CAADRP CO[C@@H]1C[NH2+][C@@](C)(C(=O)N2CCO[C@H](C[NH3+])C2)C1 ZINC000638171584 373394812 /nfs/dbraw/zinc/39/48/12/373394812.db2.gz MFMVZKLDMFFMDK-HOSYDEDBSA-N 2 0 257.334 -1.061 20 0 CAADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)N2CCO[C@H](C[NH3+])C2)C1 ZINC000638171591 373395675 /nfs/dbraw/zinc/39/56/75/373395675.db2.gz MFMVZKLDMFFMDK-UMNHJUIQSA-N 2 0 257.334 -1.061 20 0 CAADRP C[C@]1(C(=O)N2CC[C@H]3OCC[NH2+][C@@H]3C2)C[NH2+]CCO1 ZINC000638227655 373400151 /nfs/dbraw/zinc/40/01/51/373400151.db2.gz RBLVWIHVYQMIQC-NQBHXWOUSA-N 2 0 269.345 -1.046 20 0 CAADRP C[C@]1(C(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)C[NH2+]CCO1 ZINC000638226602 373401318 /nfs/dbraw/zinc/40/13/18/373401318.db2.gz HBBUXRIAVZJAFM-TZMCWYRMSA-N 2 0 282.388 -1.129 20 0 CAADRP C[C@@]1(C(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)C[NH2+]CCO1 ZINC000638226598 373401350 /nfs/dbraw/zinc/40/13/50/373401350.db2.gz HBBUXRIAVZJAFM-JSGCOSHPSA-N 2 0 282.388 -1.129 20 0 CAADRP O=C(CN1CC[NH2+]CC1)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000638226981 373401508 /nfs/dbraw/zinc/40/15/08/373401508.db2.gz LALQIAPRFCKNSR-CYBMUJFWSA-N 2 0 281.404 -1.602 20 0 CAADRP C[C@]1(C(=O)N2CC[C@@H]3OCC[NH2+][C@@H]3C2)C[NH2+]CCO1 ZINC000638227656 373401593 /nfs/dbraw/zinc/40/15/93/373401593.db2.gz RBLVWIHVYQMIQC-NTZNESFSSA-N 2 0 269.345 -1.046 20 0 CAADRP Nc1nc(NCCC[NH+]2CCC(O)CC2)nc(N)[nH+]1 ZINC000623876047 373439574 /nfs/dbraw/zinc/43/95/74/373439574.db2.gz GEOXUPXRIIHUMM-UHFFFAOYSA-N 2 0 267.337 -1.623 20 0 CAADRP C[NH2+]CCOCCNC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000638579873 373440030 /nfs/dbraw/zinc/44/00/30/373440030.db2.gz XSVPBFRWYRCVIP-NSHDSACASA-N 2 0 286.376 -1.403 20 0 CAADRP CN1CCOC[C@H]1CNC(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000638609099 373442506 /nfs/dbraw/zinc/44/25/06/373442506.db2.gz DSGAJVDPKIRNDE-MNOVXSKESA-N 2 0 284.360 -1.699 20 0 CAADRP CN1CCOC[C@@H]1CNC(=O)C[C@@H]1C[NH2+]CCO1 ZINC000638609211 373442707 /nfs/dbraw/zinc/44/27/07/373442707.db2.gz FMOYCHBUVWNDBY-WDEREUQCSA-N 2 0 257.334 -1.188 20 0 CAADRP CN1CCOC[C@H]1CNC(=O)CN1CCCC[C@H]([NH3+])C1=O ZINC000638609913 373442938 /nfs/dbraw/zinc/44/29/38/373442938.db2.gz HQEPKBLLOITYNJ-NEPJUHHUSA-N 2 0 298.387 -1.227 20 0 CAADRP CN1CCOC[C@H]1CNC(=O)CCOC1C[NH2+]C1 ZINC000638611258 373443210 /nfs/dbraw/zinc/44/32/10/373443210.db2.gz NGYLGVWYFNLECD-SNVBAGLBSA-N 2 0 257.334 -1.188 20 0 CAADRP CN1CCOC[C@@H]1CNC(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000638609103 373443295 /nfs/dbraw/zinc/44/32/95/373443295.db2.gz DSGAJVDPKIRNDE-WDEREUQCSA-N 2 0 284.360 -1.699 20 0 CAADRP CN1CCOC[C@H]1CNC(=O)C[C@@H]1C[NH2+]CCO1 ZINC000638609205 373443506 /nfs/dbraw/zinc/44/35/06/373443506.db2.gz FMOYCHBUVWNDBY-GHMZBOCLSA-N 2 0 257.334 -1.188 20 0 CAADRP [NH3+]C[C@@]1(C(=O)NC[C@@H]2COCC[NH2+]2)CCCOC1 ZINC000638612265 373445369 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O=C(C[NH2+]C[C@H]1CCCO1)NC[C@H]1COCC[NH2+]1 ZINC000638626005 373448920 /nfs/dbraw/zinc/44/89/20/373448920.db2.gz WOAHWRNGSWZYMS-WDEREUQCSA-N 2 0 257.334 -1.140 20 0 CAADRP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000638915222 373481774 /nfs/dbraw/zinc/48/17/74/373481774.db2.gz JLJBYMMNGBDASX-GUBZILKMSA-N 2 0 252.318 -1.573 20 0 CAADRP O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000638914804 373481848 /nfs/dbraw/zinc/48/18/48/373481848.db2.gz DMJJZNJHCDYEHP-DCAQKATOSA-N 2 0 266.345 -1.183 20 0 CAADRP C[NH+](C)CCN1C[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)CC1=O ZINC000638914503 373482119 /nfs/dbraw/zinc/48/21/19/373482119.db2.gz SRPXCPMVUAICMN-SRVKXCTJSA-N 2 0 280.372 -1.031 20 0 CAADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000638767777 373470617 /nfs/dbraw/zinc/47/06/17/373470617.db2.gz KHNUGNFEFCAJRU-AEJSXWLSSA-N 2 0 254.334 -1.279 20 0 CAADRP O=C(C1C[NH2+]C1)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000342231244 373473907 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CC(C)Nc1nc(N[C@H](C)C[NH+](C)C)nc(NCCO)[nH+]1 ZINC000343803501 373515645 /nfs/dbraw/zinc/51/56/45/373515645.db2.gz IEDJQUXUUXWFCB-SNVBAGLBSA-N 2 0 297.407 -1.276 20 0 CAADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000638938062 373483854 /nfs/dbraw/zinc/48/38/54/373483854.db2.gz WBLPHSYQWZPGJX-KXUCPTDWSA-N 2 0 254.334 -1.197 20 0 CAADRP O=C(CNC(=O)[C@H]1CCC[NH2+]1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000638924561 373484346 /nfs/dbraw/zinc/48/43/46/373484346.db2.gz BBEIQDCTGRYISN-OUAUKWLOSA-N 2 0 266.345 -1.183 20 0 CAADRP O=C(C[NH2+]CC1CC1)NCC(=O)N1CC[NH2+]CC1 ZINC000520404711 373569012 /nfs/dbraw/zinc/56/90/12/373569012.db2.gz MBZHRXXPFVOYKL-UHFFFAOYSA-N 2 0 254.334 -1.466 20 0 CAADRP C[C@H](CNC(=O)CNC(=O)[C@@H]1CCC[NH2+]1)[NH+](C)C ZINC000351557322 373577078 /nfs/dbraw/zinc/57/70/78/373577078.db2.gz QASFEHCFBLBASW-ZJUUUORDSA-N 2 0 256.350 -1.079 20 0 CAADRP COCC[N@@H+]1CC[C@H](NC(=O)CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000351559401 373577242 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CC(C)([NH3+])CNC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000583884048 373649615 /nfs/dbraw/zinc/64/96/15/373649615.db2.gz UCAWQCJSMQXASU-DTWKUNHWSA-N 2 0 269.349 -1.323 20 0 CAADRP O=C(CN1CC[NH2+]CC1)NC[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000394391683 373649864 /nfs/dbraw/zinc/64/98/64/373649864.db2.gz LDNFIQPYALATHE-CYBMUJFWSA-N 2 0 281.404 -1.602 20 0 CAADRP O=C(CN1CC[NH2+]CC1)NC[C@H]1C[N@@H+]2CCN1CCC2 ZINC000394391684 373650152 /nfs/dbraw/zinc/65/01/52/373650152.db2.gz LDNFIQPYALATHE-ZDUSSCGKSA-N 2 0 281.404 -1.602 20 0 CAADRP CC(C)([NH3+])CNC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000583884050 373650377 /nfs/dbraw/zinc/65/03/77/373650377.db2.gz UCAWQCJSMQXASU-RKDXNWHRSA-N 2 0 269.349 -1.323 20 0 CAADRP C[C@@H]1CN(C(=O)NCC(=O)N2CC[NH2+]CC2)[C@@H](C)C[NH2+]1 ZINC000584710119 373651211 /nfs/dbraw/zinc/65/12/11/373651211.db2.gz JRTQFISIPLYLHH-MNOVXSKESA-N 2 0 283.376 -1.190 20 0 CAADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)[C@H](N)CC(N)=O)C1 ZINC000353083042 373601269 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CC(C)[C@@H]1CN(C)CCN1C(=O)C(=O)NCC[NH3+] ZINC000419824654 373670498 /nfs/dbraw/zinc/67/04/98/373670498.db2.gz ZUHIMQDTFIBQBG-JTQLQIEISA-N 2 0 256.350 -1.140 20 0 CAADRP [NH3+][C@H]1C[C@H]2CN(C(=O)[C@H]3CCCC[NH2+]3)CCN2C1=O ZINC000571893944 373678498 /nfs/dbraw/zinc/67/84/98/373678498.db2.gz BFMFYJPCOKPPMY-GARJFASQSA-N 2 0 266.345 -1.101 20 0 CAADRP CO[C@@H]1C[NH2+][C@@H](C(=O)Nc2nc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000572117691 373681482 /nfs/dbraw/zinc/68/14/82/373681482.db2.gz KTCMKONXPZMDJL-DTWKUNHWSA-N 2 0 295.347 -1.470 20 0 CAADRP O=C(N1CC[NH2+]CC1)N1CCN(C[C@@H]2C[NH2+]CCO2)CC1 ZINC000629546128 373776873 /nfs/dbraw/zinc/77/68/73/373776873.db2.gz NEKREGWLAXMGJN-ZDUSSCGKSA-N 2 0 297.403 -1.382 20 0 CAADRP C[NH2+]CCOCC[N@H+](C)CCN1C(=O)CNC1=O ZINC000629570625 373776979 /nfs/dbraw/zinc/77/69/79/373776979.db2.gz FJNWAGBJHUUJCC-UHFFFAOYSA-N 2 0 258.322 -1.294 20 0 CAADRP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)NC1C[NH2+]C1 ZINC000515144987 373724035 /nfs/dbraw/zinc/72/40/35/373724035.db2.gz LAXACTWIUGDWBV-SECBINFHSA-N 2 0 256.350 -1.079 20 0 CAADRP C[C@H](CN1CCOCC1)NC(=O)NC[C@H]1COCC[NH2+]1 ZINC000626934177 373728122 /nfs/dbraw/zinc/72/81/22/373728122.db2.gz CKEFFUFCSHGNNE-NEPJUHHUSA-N 2 0 286.376 -1.005 20 0 CAADRP O=C(C(=O)N1CC[N@@H+]2CCC[C@@H]2C1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000643513461 373734580 /nfs/dbraw/zinc/73/45/80/373734580.db2.gz WVNOJYAHRKAXIO-FRRDWIJNSA-N 2 0 292.383 -1.029 20 0 CAADRP COCC[NH2+]CC(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000430902566 373739625 /nfs/dbraw/zinc/73/96/25/373739625.db2.gz BWORUOUOWGFORR-NSHDSACASA-N 2 0 286.376 -1.322 20 0 CAADRP O=C(N[C@H](CO)C[NH+]1CCCC1)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000640324194 373753500 /nfs/dbraw/zinc/75/35/00/373753500.db2.gz ZDBLMHWRBNNBAN-UONOGXRCSA-N 2 0 296.415 -1.051 20 0 CAADRP O=C(N[C@@H](CO)C[NH+]1CCCC1)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000640324192 373753937 /nfs/dbraw/zinc/75/39/37/373753937.db2.gz ZDBLMHWRBNNBAN-KGLIPLIRSA-N 2 0 296.415 -1.051 20 0 CAADRP O=C(NCC[N@H+]1CC[C@@H](O)C1)[C@H]1C[NH+]2CCN1CCC2 ZINC000629173364 373758273 /nfs/dbraw/zinc/75/82/73/373758273.db2.gz RIWVSUOZOTTWGB-CHWSQXEVSA-N 2 0 282.388 -1.441 20 0 CAADRP O=C(NCC[N@H+]1CC[C@@H](O)C1)[C@@H]1C[NH+]2CCN1CCC2 ZINC000629173368 373758584 /nfs/dbraw/zinc/75/85/84/373758584.db2.gz RIWVSUOZOTTWGB-OLZOCXBDSA-N 2 0 282.388 -1.441 20 0 CAADRP O=C1CNC(=O)N1CCC[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000629560188 373776352 /nfs/dbraw/zinc/77/63/52/373776352.db2.gz JIMLHDMGMSQDCR-NSHDSACASA-N 2 0 284.360 -1.025 20 0 CAADRP C[C@H]1CC[N@H+](CCNC(=O)CN2CCNCC2=O)C1 ZINC000572486812 373764349 /nfs/dbraw/zinc/76/43/49/373764349.db2.gz KXQCTJQWOYQIJT-NSHDSACASA-N 2 0 268.361 -1.124 20 0 CAADRP O=C(NCC[N@H+]1CC[C@@H](O)C1)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000627094734 373838926 /nfs/dbraw/zinc/83/89/26/373838926.db2.gz KHRAOCAHWWIDCF-ZNSHCXBVSA-N 2 0 254.334 -1.430 20 0 CAADRP CC1(C)C[NH2+]CCN1S(=O)(=O)C[C@@H]1C[NH2+]CCO1 ZINC000631906399 373820137 /nfs/dbraw/zinc/82/01/37/373820137.db2.gz LOHHWRDOTIENJM-JTQLQIEISA-N 2 0 277.390 -1.012 20 0 CAADRP C[NH2+]CCCNS(=O)(=O)C[C@H]1C[NH2+]CCO1 ZINC000631901618 373820417 /nfs/dbraw/zinc/82/04/17/373820417.db2.gz JJSQNHNOGWYDDQ-SECBINFHSA-N 2 0 251.352 -1.496 20 0 CAADRP C[C@H]([NH3+])[C@H]1CN(S(=O)(=O)C[C@@H]2C[NH2+]CCO2)CCO1 ZINC000631907187 373820806 /nfs/dbraw/zinc/82/08/06/373820806.db2.gz FNLBGNKRZMIGPM-GARJFASQSA-N 2 0 293.389 -1.647 20 0 CAADRP C[C@H]([NH3+])[C@H]1CN(S(=O)(=O)C[C@H]2C[NH2+]CCO2)CCO1 ZINC000631907188 373820988 /nfs/dbraw/zinc/82/09/88/373820988.db2.gz FNLBGNKRZMIGPM-HBNTYKKESA-N 2 0 293.389 -1.647 20 0 CAADRP O=S(=O)(C[C@@H]1C[NH2+]CCO1)NCCN1CC[NH2+]CC1 ZINC000631901657 373821357 /nfs/dbraw/zinc/82/13/57/373821357.db2.gz KLDRQWCLTSJPTE-NSHDSACASA-N 2 0 292.405 -2.201 20 0 CAADRP CC(C)[C@@H]([NH3+])CNS(=O)(=O)C[C@H]1C[NH2+]CCO1 ZINC000631904985 373821461 /nfs/dbraw/zinc/82/14/61/373821461.db2.gz CPRMQIOLFFFBDD-ZJUUUORDSA-N 2 0 265.379 -1.123 20 0 CAADRP O=S(=O)(C[C@@H]1C[NH2+]CCO1)NCC[C@@H]1CC[NH2+]C1 ZINC000631903267 373821476 /nfs/dbraw/zinc/82/14/76/373821476.db2.gz DCZTZNWIBFESDM-QWRGUYRKSA-N 2 0 277.390 -1.106 20 0 CAADRP [NH3+]C[C@H](NS(=O)(=O)C[C@@H]1C[NH2+]CCO1)C1CC1 ZINC000631906250 373821550 /nfs/dbraw/zinc/82/15/50/373821550.db2.gz HUXIFEZZEATHPL-UWVGGRQHSA-N 2 0 263.363 -1.369 20 0 CAADRP CC(C)[C@@H]([NH3+])CNS(=O)(=O)C[C@@H]1C[NH2+]CCO1 ZINC000631904983 373821588 /nfs/dbraw/zinc/82/15/88/373821588.db2.gz CPRMQIOLFFFBDD-UWVGGRQHSA-N 2 0 265.379 -1.123 20 0 CAADRP CN([C@@H]1CC[NH2+]C1)S(=O)(=O)C[C@@H]1C[NH2+]CCO1 ZINC000631904043 373821739 /nfs/dbraw/zinc/82/17/39/373821739.db2.gz BOIMDNIDOXUQRO-ZJUUUORDSA-N 2 0 263.363 -1.402 20 0 CAADRP O=S(=O)(C[C@H]1C[NH2+]CCO1)NCCN1CC[NH2+]CC1 ZINC000631901656 373821753 /nfs/dbraw/zinc/82/17/53/373821753.db2.gz KLDRQWCLTSJPTE-LLVKDONJSA-N 2 0 292.405 -2.201 20 0 CAADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)NC2C[NH2+]C2)C1 ZINC000642222637 373822487 /nfs/dbraw/zinc/82/24/87/373822487.db2.gz LFKTVJICVRIZTN-GFCCVEGCSA-N 2 0 298.387 -1.453 20 0 CAADRP C[C@@H]1C[NH2+]CC[C@H]1NS(=O)(=O)C[C@@H]1C[NH2+]CCO1 ZINC000631935556 373825599 /nfs/dbraw/zinc/82/55/99/373825599.db2.gz WUXORWWBITXSFF-OUAUKWLOSA-N 2 0 277.390 -1.108 20 0 CAADRP O=S(=O)(C[C@H]1C[NH2+]CCO1)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000631938606 373825987 /nfs/dbraw/zinc/82/59/87/373825987.db2.gz IABLPUREOIJYGH-IMSYWVGJSA-N 2 0 261.347 -1.888 20 0 CAADRP CN1CC[N@@H+](C)C[C@H]1CNC(=O)NC[C@H]1COCCN1C ZINC000623600684 373826122 /nfs/dbraw/zinc/82/61/22/373826122.db2.gz XWUWZYBVEFYQFN-OLZOCXBDSA-N 2 0 299.419 -1.138 20 0 CAADRP C[C@@H]1C[NH2+]CC[C@@H]1NS(=O)(=O)C[C@H]1C[NH2+]CCO1 ZINC000631935552 373826432 /nfs/dbraw/zinc/82/64/32/373826432.db2.gz WUXORWWBITXSFF-MXWKQRLJSA-N 2 0 277.390 -1.108 20 0 CAADRP C[NH2+]C[C@@H]1C[C@H](F)CN1S(=O)(=O)C[C@@H]1C[NH2+]CCO1 ZINC000631936699 373826449 /nfs/dbraw/zinc/82/64/49/373826449.db2.gz JLCASQIQZJBHLU-DCAQKATOSA-N 2 0 295.380 -1.064 20 0 CAADRP O=S(=O)(C[C@@H]1C[NH2+]CCO1)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000631938900 373826661 /nfs/dbraw/zinc/82/66/61/373826661.db2.gz OWGVRLFWGGXVHA-GRYCIOLGSA-N 2 0 289.401 -1.012 20 0 CAADRP C[C@@H]1CN(S(=O)(=O)C[C@@H]2C[NH2+]CCO2)C[C@H]1C[NH3+] ZINC000631965785 373827671 /nfs/dbraw/zinc/82/76/71/373827671.db2.gz HYGMCSXTGCVMCU-MXWKQRLJSA-N 2 0 277.390 -1.169 20 0 CAADRP C[C@@H]1CN(S(=O)(=O)C[C@H]2C[NH2+]CCO2)C[C@H]1C[NH3+] ZINC000631965784 373828715 /nfs/dbraw/zinc/82/87/15/373828715.db2.gz HYGMCSXTGCVMCU-GMTAPVOTSA-N 2 0 277.390 -1.169 20 0 CAADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)NC[C@@H]1COCC[NH2+]1 ZINC000626972925 373828761 /nfs/dbraw/zinc/82/87/61/373828761.db2.gz RDACCWVTNJHDSP-CHWSQXEVSA-N 2 0 299.419 -1.090 20 0 CAADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)NCCOCCC[NH3+] ZINC000626974678 373829005 /nfs/dbraw/zinc/82/90/05/373829005.db2.gz KEEVRFYGDARDCS-GFCCVEGCSA-N 2 0 287.408 -1.103 20 0 CAADRP C[C@H](NC(=O)NC[C@H]1COCC[NH2+]1)[C@H]1CN(C)CCO1 ZINC000627003680 373830020 /nfs/dbraw/zinc/83/00/20/373830020.db2.gz TYMZPZNVUJGFML-SDDRHHMPSA-N 2 0 286.376 -1.007 20 0 CAADRP C[C@H](NC(=O)NC[C@@H]1COCC[NH2+]1)[C@@H]1CN(C)CCO1 ZINC000627003682 373830365 /nfs/dbraw/zinc/83/03/65/373830365.db2.gz TYMZPZNVUJGFML-TUAOUCFPSA-N 2 0 286.376 -1.007 20 0 CAADRP C[C@H](NC(=O)NC[C@@H]1COCC[NH2+]1)[C@H]1CN(C)CCO1 ZINC000627003679 373830429 /nfs/dbraw/zinc/83/04/29/373830429.db2.gz TYMZPZNVUJGFML-QJPTWQEYSA-N 2 0 286.376 -1.007 20 0 CAADRP O=C(NCC[N@@H+]1CCCOCC1)NC[C@H]1COCC[NH2+]1 ZINC000627044211 373833968 /nfs/dbraw/zinc/83/39/68/373833968.db2.gz CKPBAHGSHQLNRX-LBPRGKRZSA-N 2 0 286.376 -1.004 20 0 CAADRP CN(CCOCC[NH3+])C(=O)NCCN1CC[NH2+]CC1 ZINC000627066928 373836324 /nfs/dbraw/zinc/83/63/24/373836324.db2.gz ZVPQTYSWWJCIBM-UHFFFAOYSA-N 2 0 273.381 -1.492 20 0 CAADRP CN(CCOCC[NH3+])C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000627064344 373836356 /nfs/dbraw/zinc/83/63/56/373836356.db2.gz RTCCLJSJBQBNTR-UHFFFAOYSA-N 2 0 287.364 -1.965 20 0 CAADRP C[NH2+]CCOCCN(C)C(=O)NCCN1CC[NH2+]CC1 ZINC000627066331 373836428 /nfs/dbraw/zinc/83/64/28/373836428.db2.gz RYHHOECYCRJJTH-UHFFFAOYSA-N 2 0 287.408 -1.231 20 0 CAADRP CNS(=O)(=O)CCC[N@H+](C)CCOCC[NH3+] ZINC000629578648 373779103 /nfs/dbraw/zinc/77/91/03/373779103.db2.gz KJHWECFFDJJILK-UHFFFAOYSA-N 2 0 253.368 -1.167 20 0 CAADRP O=C(CNC(=O)NCC[N@H+]1CC[C@H](O)C1)N1CC[NH2+]CC1 ZINC000627064806 373837310 /nfs/dbraw/zinc/83/73/10/373837310.db2.gz WYADFVQWTVUNSC-NSHDSACASA-N 2 0 299.375 -2.216 20 0 CAADRP CCN(CC[NH3+])C(=O)C(=O)N1CCN(CC)CC1 ZINC000629784324 373783985 /nfs/dbraw/zinc/78/39/85/373783985.db2.gz MRKLAYJDMFRJHO-UHFFFAOYSA-N 2 0 256.350 -1.042 20 0 CAADRP CN(CCC[NH+](C)C)C(=O)C(=O)N(C)CCOCC[NH3+] ZINC000629787745 373784066 /nfs/dbraw/zinc/78/40/66/373784066.db2.gz KUKPKHMTMPXHQJ-UHFFFAOYSA-N 2 0 288.392 -1.170 20 0 CAADRP CN(CCOCC[NH3+])C(=O)C(=O)N(C)CC[NH+](C)C ZINC000629789641 373784949 /nfs/dbraw/zinc/78/49/49/373784949.db2.gz UUSPZWRABAVYGG-UHFFFAOYSA-N 2 0 274.365 -1.560 20 0 CAADRP O=C(NCCCN1CC[NH2+]CC1)NCC[N@H+]1CC[C@@H](O)C1 ZINC000627064848 373837506 /nfs/dbraw/zinc/83/75/06/373837506.db2.gz XWWDTOCIDHGYCX-CYBMUJFWSA-N 2 0 299.419 -1.353 20 0 CAADRP CCN(CC[NH3+])C(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000629805039 373787018 /nfs/dbraw/zinc/78/70/18/373787018.db2.gz JFLLOFKXMGEFDL-WDEREUQCSA-N 2 0 284.360 -1.929 20 0 CAADRP C[N@@H+]1CCC[C@@H]1CNC(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000627064651 373837653 /nfs/dbraw/zinc/83/76/53/373837653.db2.gz VNUIRYVLLLQCSR-LLVKDONJSA-N 2 0 283.376 -1.188 20 0 CAADRP CN1CCO[C@H](C(=O)NCC[N@@H+]2CC[C@H](O)C2)C1 ZINC000629913606 373790858 /nfs/dbraw/zinc/79/08/58/373790858.db2.gz HYMWLYOGJSNFGE-QWRGUYRKSA-N 2 0 257.334 -1.500 20 0 CAADRP [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)N[C@@H]2CC[NH2+]C2)C1 ZINC000627252022 373888580 /nfs/dbraw/zinc/88/85/80/373888580.db2.gz IROQQHREFHWTGQ-WDEREUQCSA-N 2 0 283.376 -1.155 20 0 CAADRP CN1CCOC[C@H]1CNC(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000627103212 373840937 /nfs/dbraw/zinc/84/09/37/373840937.db2.gz GMUKSPIIHWPFNQ-MNOVXSKESA-N 2 0 272.349 -1.395 20 0 CAADRP CN1CCOC[C@H]1CNC(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000627103292 373840987 /nfs/dbraw/zinc/84/09/87/373840987.db2.gz OMLPTNYDSHWWCN-VXGBXAGGSA-N 2 0 286.376 -1.005 20 0 CAADRP O=C(NCC[N@H+]1CC[C@@H](O)C1)NC[C@H]1C[NH2+]CCO1 ZINC000627104056 373840999 /nfs/dbraw/zinc/84/09/99/373840999.db2.gz QXDWKUNMTIPKSO-GHMZBOCLSA-N 2 0 272.349 -1.659 20 0 CAADRP CN1CCOC[C@H]1CNC(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000627103287 373841498 /nfs/dbraw/zinc/84/14/98/373841498.db2.gz OMLPTNYDSHWWCN-NEPJUHHUSA-N 2 0 286.376 -1.005 20 0 CAADRP CN1CCOC[C@H]1CNC(=O)NC[C@H]1C[NH2+]CCO1 ZINC000627103210 373841601 /nfs/dbraw/zinc/84/16/01/373841601.db2.gz GMUKSPIIHWPFNQ-GHMZBOCLSA-N 2 0 272.349 -1.395 20 0 CAADRP CN1CCOC[C@@H]1CNC(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000627103213 373841672 /nfs/dbraw/zinc/84/16/72/373841672.db2.gz GMUKSPIIHWPFNQ-QWRGUYRKSA-N 2 0 272.349 -1.395 20 0 CAADRP O=C(NCC[N@H+]1CC[C@H](O)C1)NC[C@H]1C[NH2+]CCO1 ZINC000627104059 373841880 /nfs/dbraw/zinc/84/18/80/373841880.db2.gz QXDWKUNMTIPKSO-WDEREUQCSA-N 2 0 272.349 -1.659 20 0 CAADRP O=C(NCC[N@H+]1CC[C@@H](O)C1)NC[C@@H]1C[NH2+]CCCO1 ZINC000627103404 373841921 /nfs/dbraw/zinc/84/19/21/373841921.db2.gz RFMDPSXZTMYHTQ-NEPJUHHUSA-N 2 0 286.376 -1.269 20 0 CAADRP C[NH2+]CCOCCNC(=O)NC[C@H]1COCC[NH2+]1 ZINC000627169911 373843063 /nfs/dbraw/zinc/84/30/63/373843063.db2.gz WXTAGZJDPNWKCH-JTQLQIEISA-N 2 0 260.338 -1.490 20 0 CAADRP C[NH2+]CCOCCNC(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000627170738 373843216 /nfs/dbraw/zinc/84/32/16/373843216.db2.gz GCVYTMBIVATLDQ-JTQLQIEISA-N 2 0 260.338 -1.409 20 0 CAADRP C[NH2+]CCOCCNC(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000627170999 373843395 /nfs/dbraw/zinc/84/33/95/373843395.db2.gz NNFHVBWWAHKFPF-ZDUSSCGKSA-N 2 0 299.419 -1.089 20 0 CAADRP C[NH2+]CCOCCNC(=O)N1CCO[C@H](C[NH3+])C1 ZINC000627170745 373843777 /nfs/dbraw/zinc/84/37/77/373843777.db2.gz GCVYTMBIVATLDQ-SNVBAGLBSA-N 2 0 260.338 -1.409 20 0 CAADRP C[NH2+]CCOCCNC(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000627171551 373843800 /nfs/dbraw/zinc/84/38/00/373843800.db2.gz YQIIWNAWIJETCR-LLVKDONJSA-N 2 0 273.381 -1.493 20 0 CAADRP CC[N@H+](CCO)CCNC(=O)NC[C@@H]1COCC[NH2+]1 ZINC000627189952 373847100 /nfs/dbraw/zinc/84/71/00/373847100.db2.gz NXYHTUPFBMFRCY-LLVKDONJSA-N 2 0 274.365 -1.412 20 0 CAADRP O=C(NC[C@H]1COCC[NH2+]1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000627190501 373847539 /nfs/dbraw/zinc/84/75/39/373847539.db2.gz NVADJSWLVMUZNB-SDDRHHMPSA-N 2 0 284.360 -1.565 20 0 CAADRP O=C(NCC[N@H+]1CC[C@@H](O)C1)NC[C@H]1COCC[NH2+]1 ZINC000627191889 373847612 /nfs/dbraw/zinc/84/76/12/373847612.db2.gz JASREXSLHRZDDO-WDEREUQCSA-N 2 0 272.349 -1.659 20 0 CAADRP O=C(NC[C@@H]1COCC[NH2+]1)NC[C@H]1COCC[NH2+]1 ZINC000627192221 373848026 /nfs/dbraw/zinc/84/80/26/373848026.db2.gz QQVCAGAXLQIWGH-AOOOYVTPSA-N 2 0 258.322 -1.738 20 0 CAADRP [NH3+]CCCOCCNC(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000627218628 373853262 /nfs/dbraw/zinc/85/32/62/373853262.db2.gz AXCOSRVYUVNZPI-JTQLQIEISA-N 2 0 260.338 -1.279 20 0 CAADRP [NH3+]CCCOCCNC(=O)N1CCO[C@H](C[NH3+])C1 ZINC000627218629 373853373 /nfs/dbraw/zinc/85/33/73/373853373.db2.gz AXCOSRVYUVNZPI-SNVBAGLBSA-N 2 0 260.338 -1.279 20 0 CAADRP O=C(CNC(=O)[C@H]1CCC[NH2+]1)N1CCC[NH2+]CC1 ZINC000566203386 373943175 /nfs/dbraw/zinc/94/31/75/373943175.db2.gz PZFBERLUYNOSOG-SNVBAGLBSA-N 2 0 254.334 -1.324 20 0 CAADRP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)N1CCC[NH2+]CC1 ZINC000566203385 373944678 /nfs/dbraw/zinc/94/46/78/373944678.db2.gz PZFBERLUYNOSOG-JTQLQIEISA-N 2 0 254.334 -1.324 20 0 CAADRP NC(=O)NC(=O)C[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000567893076 373964402 /nfs/dbraw/zinc/96/44/02/373964402.db2.gz QOOBIUIKBOJZBH-SNVBAGLBSA-N 2 0 297.359 -1.675 20 0 CAADRP [NH3+]CC1(CC(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)CC1 ZINC000566495200 373947954 /nfs/dbraw/zinc/94/79/54/373947954.db2.gz DJNWXWRQDZIGFP-UWVGGRQHSA-N 2 0 266.345 -1.114 20 0 CAADRP CC[N@H+](CCNC(=O)C(=O)NC1C[NH2+]C1)C1CC1 ZINC000566964184 373950122 /nfs/dbraw/zinc/95/01/22/373950122.db2.gz VHOCEKNWQAYUJC-UHFFFAOYSA-N 2 0 254.334 -1.325 20 0 CAADRP O=C1CNCCN1[C@H]1CCC[N@H+](CCN2CC[NH2+]CC2)C1 ZINC000568089187 373964784 /nfs/dbraw/zinc/96/47/84/373964784.db2.gz KNDSYYOIEREONB-AWEZNQCLSA-N 2 0 295.431 -1.212 20 0 CAADRP CN(C)C(=O)CC[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000567407978 373955498 /nfs/dbraw/zinc/95/54/98/373955498.db2.gz RGHJUYRAFIZFDM-VHSXEESVSA-N 2 0 254.334 -1.292 20 0 CAADRP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)N[C@H]1C[NH2+]CCC1(F)F ZINC000567470292 373956261 /nfs/dbraw/zinc/95/62/61/373956261.db2.gz ZASIHXAADYOFBD-IUCAKERBSA-N 2 0 290.314 -1.032 20 0 CAADRP C[NH2+][C@@H]1CCN(C(=O)CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000567383568 373956314 /nfs/dbraw/zinc/95/63/14/373956314.db2.gz JPSXKLPNSJAPQH-NXEZZACHSA-N 2 0 254.334 -1.325 20 0 CAADRP CCCNC(=O)CN1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000567292375 373957036 /nfs/dbraw/zinc/95/70/36/373957036.db2.gz ONLLYEPRUBBBEF-NXEZZACHSA-N 2 0 254.334 -1.244 20 0 CAADRP CO[C@@H](C[NH3+])C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000567581039 373958306 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C[C@@H]([NH3+])[C@H](C)C(=O)N(C)CC(=O)N1CC[NH2+]CC1 ZINC000564894712 373931269 /nfs/dbraw/zinc/93/12/69/373931269.db2.gz RGRMBINDHZIKAZ-VHSXEESVSA-N 2 0 256.350 -1.140 20 0 CAADRP O=C(C[C@@H]1C[NH2+]CCO1)NCCN1CC[NH2+]CC1 ZINC000564797615 373931761 /nfs/dbraw/zinc/93/17/61/373931761.db2.gz UECBHTAUSGXPTH-LLVKDONJSA-N 2 0 256.350 -1.614 20 0 CAADRP O=C(CNC(=O)[C@H]1CCC[NH2+]1)N[C@H]1CCC[NH2+]C1 ZINC000564949658 373932864 /nfs/dbraw/zinc/93/28/64/373932864.db2.gz FNSUKRHEEMZVRO-VHSXEESVSA-N 2 0 254.334 -1.277 20 0 CAADRP CN(C(=O)CNC(=O)[C@H]1CCC[NH2+]1)[C@@H]1CC[NH2+]C1 ZINC000564944568 373933398 /nfs/dbraw/zinc/93/33/98/373933398.db2.gz ULHRQUOKJVTEAB-NXEZZACHSA-N 2 0 254.334 -1.325 20 0 CAADRP NC(=O)NC(=O)C[N@@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000567893075 373963582 /nfs/dbraw/zinc/96/35/82/373963582.db2.gz QOOBIUIKBOJZBH-JTQLQIEISA-N 2 0 297.359 -1.675 20 0 CAADRP CN1CCN(C(=O)CCNC(=O)[C@H]2CCC[NH2+]2)[C@H](C[NH3+])C1 ZINC000565361752 373936196 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CO[C@H](C[NH3+])C(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000578739867 373995819 /nfs/dbraw/zinc/99/58/19/373995819.db2.gz SWWIRKVUNIEMAV-WDEREUQCSA-N 2 0 286.376 -1.194 20 0 CAADRP COCC[N@@H+]1CC[C@H](NC(=O)N2CCN(C)C[C@H]2C[NH3+])C1 ZINC000578742607 373996310 /nfs/dbraw/zinc/99/63/10/373996310.db2.gz AXYDALOIPWHJMB-QWHCGFSZSA-N 2 0 299.419 -1.009 20 0 CAADRP O=C(CC[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1)N1CC[NH2+]CC1 ZINC000579008408 373997748 /nfs/dbraw/zinc/99/77/48/373997748.db2.gz UCFAMDMHQTVKPM-TXEJJXNPSA-N 3 0 252.362 -1.041 20 0 CAADRP C[NH+](C)CCCN1C(=O)C[C@@H]([NH2+]CCn2ncnn2)C1=O ZINC000579241056 373997816 /nfs/dbraw/zinc/99/78/16/373997816.db2.gz CRLHDCKJUFSEPZ-SNVBAGLBSA-N 2 0 295.347 -1.658 20 0 CAADRP O=C(C[C@H]1COCC[NH2+]1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000579470574 374001183 /nfs/dbraw/zinc/00/11/83/374001183.db2.gz LVMYIICUSSJFAH-QWHCGFSZSA-N 2 0 282.388 -1.129 20 0 CAADRP CN(CCO)C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000579325494 374001265 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C[NH+]1CCN(C[C@@H](O)C[NH2+][C@H]2CC(=O)N(C3CC3)C2)CC1 ZINC000579827396 374005575 /nfs/dbraw/zinc/00/55/75/374005575.db2.gz NBSFIRALCMJAHP-JSGCOSHPSA-N 2 0 296.415 -1.052 20 0 CAADRP C[NH+](C)CCN1C[C@H](C(=O)NC[C@H]2C[NH2+]CCO2)CC1=O ZINC000579838130 374005733 /nfs/dbraw/zinc/00/57/33/374005733.db2.gz IRPWLQXQMVGDQU-VXGBXAGGSA-N 2 0 298.387 -1.499 20 0 CAADRP C[NH+]1CCN(C[C@H](O)C[NH2+][C@H]2CC(=O)N(C3CC3)C2)CC1 ZINC000579827395 374005815 /nfs/dbraw/zinc/00/58/15/374005815.db2.gz NBSFIRALCMJAHP-GXTWGEPZSA-N 2 0 296.415 -1.052 20 0 CAADRP O=C(C[C@H]1COCC[NH2+]1)Nc1nc(N2CC[NH2+]CC2)n[nH]1 ZINC000579949941 374007946 /nfs/dbraw/zinc/00/79/46/374007946.db2.gz JNRHDCZBTFSRNO-VIFPVBQESA-N 2 0 295.347 -1.469 20 0 CAADRP C[NH+](C)CCN1C(=O)C[C@@H]([NH2+]CCn2ncnn2)C1=O ZINC000568161821 373967109 /nfs/dbraw/zinc/96/71/09/373967109.db2.gz JXIZXVJFRNYOAD-SECBINFHSA-N 2 0 281.320 -2.048 20 0 CAADRP [NH3+][C@@H]1C[C@H]2CN(C(=O)N[C@@H]3[C@H]4C[NH2+]C[C@H]43)CCN2C1=O ZINC000568287618 373969153 /nfs/dbraw/zinc/96/91/53/373969153.db2.gz DYWZEKPSBDCCIC-FBDQPXRJSA-N 2 0 279.344 -1.842 20 0 CAADRP O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)C(=O)N[C@H]1CC[NH2+]C1 ZINC000568292462 373969986 /nfs/dbraw/zinc/96/99/86/373969986.db2.gz NSZMADHTHKSGHJ-VHSXEESVSA-N 2 0 266.345 -1.183 20 0 CAADRP O=C(N[C@H]1CC[NH2+]C1)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000568292461 373970349 /nfs/dbraw/zinc/97/03/49/373970349.db2.gz NSZMADHTHKSGHJ-UWVGGRQHSA-N 2 0 266.345 -1.183 20 0 CAADRP COCCN(CC[NH+](C)C)C(=O)CNC(=O)C[NH3+] ZINC000568629326 373971466 /nfs/dbraw/zinc/97/14/66/373971466.db2.gz AMWIPGXJXXXDHT-UHFFFAOYSA-N 2 0 260.338 -1.902 20 0 CAADRP CN1CC[NH2+]C[C@@H]1CNC(=O)C[NH2+]C[C@@H]1CCCO1 ZINC000568620344 373972197 /nfs/dbraw/zinc/97/21/97/373972197.db2.gz YTGFEOKARUWISX-NEPJUHHUSA-N 2 0 270.377 -1.225 20 0 CAADRP COCCN(CC[NH+](C)C)C(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000568534850 373972675 /nfs/dbraw/zinc/97/26/75/373972675.db2.gz GLBHQNAQMCHUCJ-NSHDSACASA-N 2 0 286.376 -1.499 20 0 CAADRP COCCOCCN1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000568769335 373972768 /nfs/dbraw/zinc/97/27/68/373972768.db2.gz FUOXYVNNPGLXDU-WDEREUQCSA-N 2 0 257.334 -1.107 20 0 CAADRP CN1CCN(C(=O)C[C@H]2C[NH2+]CCO2)[C@@H](C[NH3+])C1 ZINC000572840230 373977832 /nfs/dbraw/zinc/97/78/32/373977832.db2.gz XZZGRYDYKUBQJT-QWRGUYRKSA-N 2 0 256.350 -1.534 20 0 CAADRP COCC[N@@H+]1CC[C@H](NC(=O)[C@@H]([NH3+])CC(=O)OC)C1 ZINC000573680996 373982173 /nfs/dbraw/zinc/98/21/73/373982173.db2.gz MSIQSJCJYWVZGG-UWVGGRQHSA-N 2 0 273.333 -1.286 20 0 CAADRP C[C@H]1[NH2+]CC[C@H]1C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000578011541 373988510 /nfs/dbraw/zinc/98/85/10/373988510.db2.gz WNHAGMMIWFIWDR-NXEZZACHSA-N 2 0 254.334 -1.468 20 0 CAADRP C[NH+](C)C[C@H]1CCCN1C(=O)CN1CCNCC1=O ZINC000578130604 373991727 /nfs/dbraw/zinc/99/17/27/373991727.db2.gz SOGKIDISQGCAIB-LLVKDONJSA-N 2 0 268.361 -1.029 20 0 CAADRP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)NC[C@@H]1CCC[NH2+]C1 ZINC000578441982 373993979 /nfs/dbraw/zinc/99/39/79/373993979.db2.gz MRJYJIYWQKFBGC-MNOVXSKESA-N 2 0 268.361 -1.030 20 0 CAADRP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)NC[C@H]1CCC[NH2+]C1 ZINC000578441983 373994036 /nfs/dbraw/zinc/99/40/36/373994036.db2.gz MRJYJIYWQKFBGC-QWRGUYRKSA-N 2 0 268.361 -1.030 20 0 CAADRP [NH3+]CCCOCCNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000627325523 374073626 /nfs/dbraw/zinc/07/36/26/374073626.db2.gz MNVZFEQVKWXWBA-NSHDSACASA-N 2 0 298.387 -1.179 20 0 CAADRP C[C@H](CC[NH+](C)C)NC(=O)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000627325494 374074135 /nfs/dbraw/zinc/07/41/35/374074135.db2.gz LVAHJZPZTRYHAX-GHMZBOCLSA-N 2 0 286.376 -1.453 20 0 CAADRP CN(CCOCC[NH3+])C(=O)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000627325221 374074877 /nfs/dbraw/zinc/07/48/77/374074877.db2.gz BZXYCYCPLPMFKF-NSHDSACASA-N 2 0 298.387 -1.227 20 0 CAADRP C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000627325367 374075203 /nfs/dbraw/zinc/07/52/03/374075203.db2.gz HKSAYTQQDRCOIO-VHSXEESVSA-N 2 0 256.350 -1.079 20 0 CAADRP C[NH+](C)CCN1CCN(c2nc(N)[nH+]c(N)n2)CC1=O ZINC000624347673 374110984 /nfs/dbraw/zinc/11/09/84/374110984.db2.gz YCJHWOFKMVCOOJ-UHFFFAOYSA-N 2 0 280.336 -2.093 20 0 CAADRP CN(C)C(=O)CN(CC[NH+](C)C)c1nc(N)[nH+]c(N)n1 ZINC000624397174 374113302 /nfs/dbraw/zinc/11/33/02/374113302.db2.gz RFKPBTJHGVNSAE-UHFFFAOYSA-N 2 0 282.352 -1.847 20 0 CAADRP COCCC[N@H+](C)CCNC(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000627361345 374115939 /nfs/dbraw/zinc/11/59/39/374115939.db2.gz MDBTVPOSGGKNOF-LLVKDONJSA-N 2 0 286.376 -1.451 20 0 CAADRP C[C@@H](CNC(=O)C(=O)NC[C@H]1COCC[NH2+]1)[N@H+](C)C1CC1 ZINC000627372749 374116095 /nfs/dbraw/zinc/11/60/95/374116095.db2.gz WDFQOBNSROXWBP-QWRGUYRKSA-N 2 0 298.387 -1.310 20 0 CAADRP CC[N@H+](CCNC(=O)C(=O)NC[C@H]1COCC[NH2+]1)C1CC1 ZINC000627365283 374117060 /nfs/dbraw/zinc/11/70/60/374117060.db2.gz KPDRSPUSHSWVCD-NSHDSACASA-N 2 0 298.387 -1.309 20 0 CAADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000627367613 374117306 /nfs/dbraw/zinc/11/73/06/374117306.db2.gz ZHGVBKQMCGVVAY-VXGBXAGGSA-N 2 0 298.387 -1.309 20 0 CAADRP CC[NH+](CC)CCNC(=O)C(=O)NC[C@H]1COCC[NH2+]1 ZINC000627389494 374118656 /nfs/dbraw/zinc/11/86/56/374118656.db2.gz GMVOBEGIZHRALB-NSHDSACASA-N 2 0 286.376 -1.451 20 0 CAADRP CC1([NH+]2CCOCC2)CCN(C(=O)C(=O)NCC[NH3+])CC1 ZINC000627399206 374118683 /nfs/dbraw/zinc/11/86/83/374118683.db2.gz IZJWDYRNXNHTSW-UHFFFAOYSA-N 2 0 298.387 -1.225 20 0 CAADRP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NC[C@@H]2COCC[NH2+]2)C1 ZINC000627429058 374123128 /nfs/dbraw/zinc/12/31/28/374123128.db2.gz WPJLMATUZPPYJX-VXGBXAGGSA-N 2 0 298.387 -1.309 20 0 CAADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000627504133 374134935 /nfs/dbraw/zinc/13/49/35/374134935.db2.gz XBNVSWDQHLMCIR-GFCCVEGCSA-N 3 0 299.419 -1.584 20 0 CAADRP CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)NC[C@H]1COCC[NH2+]1 ZINC000627473631 374131049 /nfs/dbraw/zinc/13/10/49/374131049.db2.gz RPMJDRJTVWQKFL-RYUDHWBXSA-N 2 0 298.387 -1.309 20 0 CAADRP CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000627473629 374131078 /nfs/dbraw/zinc/13/10/78/374131078.db2.gz RPMJDRJTVWQKFL-NEPJUHHUSA-N 2 0 298.387 -1.309 20 0 CAADRP CN(CC[N@H+](C)C1CC1)C(=O)C(=O)NC[C@H]1COCC[NH2+]1 ZINC000627475598 374131453 /nfs/dbraw/zinc/13/14/53/374131453.db2.gz QBXUTEVOEBMESD-NSHDSACASA-N 2 0 298.387 -1.356 20 0 CAADRP C[NH+]1CCN(CCNc2nc(N)[nH+]c(N)n2)CC1 ZINC000623821847 374092766 /nfs/dbraw/zinc/09/27/66/374092766.db2.gz IREAAHCRYOUKCU-UHFFFAOYSA-N 2 0 252.326 -2.222 20 0 CAADRP NC(=O)[C@@H]1CCC[N@H+](CCCNc2nc(N)[nH+]c(N)n2)C1 ZINC000623929859 374094829 /nfs/dbraw/zinc/09/48/29/374094829.db2.gz XGJZFDAQGXTWDH-MRVPVSSYSA-N 2 0 294.363 -1.882 20 0 CAADRP COCC[N@@H+]1CCCN(c2nc(N)[nH+]c(N)n2)CC1 ZINC000623865323 374095930 /nfs/dbraw/zinc/09/59/30/374095930.db2.gz OQVPLNBQOIRKEA-UHFFFAOYSA-N 2 0 267.337 -1.145 20 0 CAADRP COCC[N@@H+]1CCC[C@@H](Nc2nc(N)[nH+]c(N)n2)C1 ZINC000623951271 374098905 /nfs/dbraw/zinc/09/89/05/374098905.db2.gz GTMVGADXLJQTMB-MRVPVSSYSA-N 2 0 267.337 -1.359 20 0 CAADRP C[NH+]1CCC(N2CC[C@H](Nc3nc(N)[nH+]c(N)n3)C2)CC1 ZINC000623966333 374099400 /nfs/dbraw/zinc/09/94/00/374099400.db2.gz MYEZDAPIESWYLT-VIFPVBQESA-N 2 0 292.391 -1.301 20 0 CAADRP COCCC[N@H+](C)CCNc1nc(N)[nH+]c(N)n1 ZINC000623996070 374101700 /nfs/dbraw/zinc/10/17/00/374101700.db2.gz RNRJYDKVJFIZBQ-UHFFFAOYSA-N 2 0 255.326 -1.501 20 0 CAADRP Nc1nc(N[C@H]2CCC[N@H+](CCCO)C2)nc(N)[nH+]1 ZINC000624249109 374108363 /nfs/dbraw/zinc/10/83/63/374108363.db2.gz UKSYQEYRXKWPBE-QMMMGPOBSA-N 2 0 267.337 -1.623 20 0 CAADRP Nc1nc(NC[C@@H]2CCC[N@@H+]2CCCO)nc(N)[nH+]1 ZINC000624248526 374108839 /nfs/dbraw/zinc/10/88/39/374108839.db2.gz QTFAKDQMVVUNLL-QMMMGPOBSA-N 2 0 267.337 -1.623 20 0 CAADRP O=S(=O)(C[C@H]1C[NH2+]CCO1)NCC1CC[NH2+]CC1 ZINC000631901055 374151279 /nfs/dbraw/zinc/15/12/79/374151279.db2.gz PSKHAWZWWPNICB-LLVKDONJSA-N 2 0 277.390 -1.106 20 0 CAADRP C[C@H]([NH3+])CCNS(=O)(=O)C[C@@H]1C[NH2+]CCO1 ZINC000631902065 374151341 /nfs/dbraw/zinc/15/13/41/374151341.db2.gz CWZPUBXUOMUISU-IUCAKERBSA-N 2 0 251.352 -1.369 20 0 CAADRP O=S(=O)(C[C@@H]1C[NH2+]CCO1)NC[C@@H]1CCC[NH2+]C1 ZINC000631902001 374151738 /nfs/dbraw/zinc/15/17/38/374151738.db2.gz ROMGDVRAQUGOFK-MNOVXSKESA-N 2 0 277.390 -1.106 20 0 CAADRP O=S(=O)(C[C@H]1C[NH2+]CCO1)N[C@@H]1CCC[NH2+]C1 ZINC000631900502 374151749 /nfs/dbraw/zinc/15/17/49/374151749.db2.gz BXRUWZDHFVPCMO-NXEZZACHSA-N 2 0 263.363 -1.354 20 0 CAADRP C[NH2+][C@H]1CCN(S(=O)(=O)C[C@H]2C[NH2+]CCO2)C1 ZINC000631901238 374152006 /nfs/dbraw/zinc/15/20/06/374152006.db2.gz VZCCRYDRIGHZIG-VHSXEESVSA-N 2 0 263.363 -1.402 20 0 CAADRP C[NH+]1CCN(CCCS(=O)(=O)NC2C[NH2+]C2)CC1 ZINC000631904705 374152029 /nfs/dbraw/zinc/15/20/29/374152029.db2.gz WATQIMLTUSJYMV-UHFFFAOYSA-N 2 0 276.406 -1.485 20 0 CAADRP CN(CCC[NH3+])S(=O)(=O)C[C@@H]1C[NH2+]CCO1 ZINC000631905878 374152134 /nfs/dbraw/zinc/15/21/34/374152134.db2.gz XJOYMXKXKHWWOK-VIFPVBQESA-N 2 0 251.352 -1.415 20 0 CAADRP [NH3+]C[C@H]1CCCN1S(=O)(=O)C[C@H]1C[NH2+]CCO1 ZINC000631906869 374153188 /nfs/dbraw/zinc/15/31/88/374153188.db2.gz XRIUGDZBTLHXRO-NXEZZACHSA-N 2 0 263.363 -1.272 20 0 CAADRP CC(C)([NH3+])CNS(=O)(=O)C[C@@H]1C[NH2+]CCO1 ZINC000631906838 374153822 /nfs/dbraw/zinc/15/38/22/374153822.db2.gz WSUMFLIEZWKODX-QMMMGPOBSA-N 2 0 251.352 -1.369 20 0 CAADRP [NH3+]C[C@H]1CCCN1S(=O)(=O)C[C@@H]1C[NH2+]CCO1 ZINC000631906872 374154210 /nfs/dbraw/zinc/15/42/10/374154210.db2.gz XRIUGDZBTLHXRO-ZJUUUORDSA-N 2 0 263.363 -1.272 20 0 CAADRP CN1CCN(S(=O)(=O)C[C@@H]2C[NH2+]CCO2)[C@H](C[NH3+])C1 ZINC000631907271 374154532 /nfs/dbraw/zinc/15/45/32/374154532.db2.gz HMUOBYCZSVOOLZ-MNOVXSKESA-N 2 0 292.405 -2.121 20 0 CAADRP C[C@@H]1CN(S(=O)(=O)C[C@@H]2C[NH2+]CCO2)[C@@H](C)C[NH2+]1 ZINC000631930071 374154612 /nfs/dbraw/zinc/15/46/12/374154612.db2.gz WHVWYHBOYNXWTC-VWYCJHECSA-N 2 0 277.390 -1.013 20 0 CAADRP CCC[NH2+]CCNS(=O)(=O)C[C@@H]1C[NH2+]CCO1 ZINC000631933343 374155652 /nfs/dbraw/zinc/15/56/52/374155652.db2.gz JEYUCEHBCBVDMI-JTQLQIEISA-N 2 0 265.379 -1.106 20 0 CAADRP C[C@H]([NH3+])[C@H](C)NS(=O)(=O)C[C@@H]1C[NH2+]CCO1 ZINC000631939820 374155807 /nfs/dbraw/zinc/15/58/07/374155807.db2.gz KGWZVVZVFAQYIZ-CIUDSAMLSA-N 2 0 251.352 -1.370 20 0 CAADRP C[C@@H](NS(=O)(=O)C[C@@H]1C[NH2+]CCO1)[C@H](C)[NH3+] ZINC000631939823 374155862 /nfs/dbraw/zinc/15/58/62/374155862.db2.gz KGWZVVZVFAQYIZ-YIZRAAEISA-N 2 0 251.352 -1.370 20 0 CAADRP CN([C@@H](C[NH3+])C1CC1)S(=O)(=O)C[C@@H]1C[NH2+]CCO1 ZINC000631938384 374155927 /nfs/dbraw/zinc/15/59/27/374155927.db2.gz BYMSTMHVIVJZCN-QWRGUYRKSA-N 2 0 277.390 -1.026 20 0 CAADRP O=S(=O)(C[C@@H]1C[NH2+]CCO1)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000631932177 374155946 /nfs/dbraw/zinc/15/59/46/374155946.db2.gz QVZVDYSBMOYQGO-SRVKXCTJSA-N 2 0 289.401 -1.012 20 0 CAADRP C[C@@H]1[C@H](C)[NH2+]CCN1S(=O)(=O)C[C@@H]1C[NH2+]CCO1 ZINC000631936128 374155975 /nfs/dbraw/zinc/15/59/75/374155975.db2.gz UVACAQYPVAVIEW-AXFHLTTASA-N 2 0 277.390 -1.013 20 0 CAADRP CCC[NH2+]CCNS(=O)(=O)C[C@H]1C[NH2+]CCO1 ZINC000631933344 374156122 /nfs/dbraw/zinc/15/61/22/374156122.db2.gz JEYUCEHBCBVDMI-SNVBAGLBSA-N 2 0 265.379 -1.106 20 0 CAADRP COCC[NH2+]CCNS(=O)(=O)C[C@@H]1C[NH2+]CCO1 ZINC000631933995 374156146 /nfs/dbraw/zinc/15/61/46/374156146.db2.gz YIWIVNYFUMICTK-JTQLQIEISA-N 2 0 281.378 -1.870 20 0 CAADRP COCC[NH2+]CCNS(=O)(=O)C[C@H]1C[NH2+]CCO1 ZINC000631933996 374156197 /nfs/dbraw/zinc/15/61/97/374156197.db2.gz YIWIVNYFUMICTK-SNVBAGLBSA-N 2 0 281.378 -1.870 20 0 CAADRP CN(C1C[NH2+]C1)S(=O)(=O)CCCN1CC[NH+](C)CC1 ZINC000631938123 374156372 /nfs/dbraw/zinc/15/63/72/374156372.db2.gz VFLYUZPLDIBURS-UHFFFAOYSA-N 2 0 290.433 -1.143 20 0 CAADRP CN(CC(C)(C)[NH3+])S(=O)(=O)C[C@H]1C[NH2+]CCO1 ZINC000631949930 374156800 /nfs/dbraw/zinc/15/68/00/374156800.db2.gz SXBVYZQGMKAKLX-SECBINFHSA-N 2 0 265.379 -1.026 20 0 CAADRP CC[NH2+][C@H](C)CNS(=O)(=O)C[C@H]1C[NH2+]CCO1 ZINC000631933870 374156904 /nfs/dbraw/zinc/15/69/04/374156904.db2.gz LABIGIIARQNSLV-NXEZZACHSA-N 2 0 265.379 -1.108 20 0 CAADRP O=S(=O)(C[C@@H]1C[NH2+]CCO1)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000631932178 374156987 /nfs/dbraw/zinc/15/69/87/374156987.db2.gz QVZVDYSBMOYQGO-WOPDTQHZSA-N 2 0 289.401 -1.012 20 0 CAADRP CCN(CC[NH3+])S(=O)(=O)C[C@@H]1C[NH2+]CCO1 ZINC000631954714 374157853 /nfs/dbraw/zinc/15/78/53/374157853.db2.gz UTPJNVAXLJDHPU-VIFPVBQESA-N 2 0 251.352 -1.415 20 0 CAADRP CN(C1CC[NH2+]CC1)S(=O)(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000631970019 374157913 /nfs/dbraw/zinc/15/79/13/374157913.db2.gz ILQRYVYTGUQPGL-ONGXEEELSA-N 2 0 274.390 -1.039 20 0 CAADRP C[C@]1(NS(=O)(=O)C[C@H]2C[NH2+]CCO2)CC[NH2+]C1 ZINC000631953732 374158154 /nfs/dbraw/zinc/15/81/54/374158154.db2.gz RBNOJPCYNVSOES-ZJUUUORDSA-N 2 0 263.363 -1.354 20 0 CAADRP C[NH2+]CCOCCNS(=O)(=O)C[C@@H]1C[NH2+]CCO1 ZINC000631954325 374158440 /nfs/dbraw/zinc/15/84/40/374158440.db2.gz IGFXDQXAGZIJLC-JTQLQIEISA-N 2 0 281.378 -1.870 20 0 CAADRP C[C@@H]1C[C@H]([NH3+])CN1S(=O)(=O)C[C@H]1C[NH2+]CCO1 ZINC000631976038 374158493 /nfs/dbraw/zinc/15/84/93/374158493.db2.gz UCMYQVDTTBMTOT-KXUCPTDWSA-N 2 0 263.363 -1.274 20 0 CAADRP C[NH2+]CCOCCN(C)S(=O)(=O)C[C@H]1C[NH2+]CCO1 ZINC000631954346 374158676 /nfs/dbraw/zinc/15/86/76/374158676.db2.gz JBGMOOGETMBHCN-LLVKDONJSA-N 2 0 295.405 -1.528 20 0 CAADRP C[C@@]1(NS(=O)(=O)C[C@@H]2C[NH2+]CCO2)CC[NH2+]C1 ZINC000631953731 374158685 /nfs/dbraw/zinc/15/86/85/374158685.db2.gz RBNOJPCYNVSOES-VHSXEESVSA-N 2 0 263.363 -1.354 20 0 CAADRP O=S(=O)(C[C@H]1C[NH2+]CCO1)NCC12CC(C1)C[NH2+]2 ZINC000631952780 374158817 /nfs/dbraw/zinc/15/88/17/374158817.db2.gz SLVGHPHHJDTYAK-HSOILSAZSA-N 2 0 275.374 -1.354 20 0 CAADRP [NH3+][C@@H]1CN(S(=O)(=O)C[C@H]2C[NH2+]CCO2)CC[C@H]1F ZINC000631952725 374159164 /nfs/dbraw/zinc/15/91/64/374159164.db2.gz RNLDZCYTJBYIDR-OPRDCNLKSA-N 2 0 281.353 -1.324 20 0 CAADRP C[C@@]1(NS(=O)(=O)C[C@H]2C[NH2+]CCO2)CC[NH2+]C1 ZINC000631953729 374159184 /nfs/dbraw/zinc/15/91/84/374159184.db2.gz RBNOJPCYNVSOES-NXEZZACHSA-N 2 0 263.363 -1.354 20 0 CAADRP C[NH+](C)CCCS(=O)(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1 ZINC000632350376 374167742 /nfs/dbraw/zinc/16/77/42/374167742.db2.gz JDFQITLNLPNHNU-QWRGUYRKSA-N 2 0 279.406 -1.125 20 0 CAADRP COC1(C(=O)N2CCN(C)C[C@H]2C[NH3+])CC[NH2+]CC1 ZINC000634286788 374197941 /nfs/dbraw/zinc/19/79/41/374197941.db2.gz GJSNMXHPWSCHLY-LLVKDONJSA-N 2 0 270.377 -1.144 20 0 CAADRP 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 374185963 /nfs/dbraw/zinc/18/59/63/374185963.db2.gz BDYAHWFQVNSMLW-FIQHERPVSA-N 2 0 294.355 -2.164 20 0 CAADRP O=C(NC1C[NH2+]C1)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000574551586 335028860 /nfs/dbraw/zinc/02/88/60/335028860.db2.gz ZRMXFXIVGGIOHJ-LLVKDONJSA-N 2 0 266.345 -1.229 20 0 CAADRP [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)[C@H]2C[NH2+]CCO2)C1 ZINC000444159297 295234540 /nfs/dbraw/zinc/23/45/40/295234540.db2.gz JEYNDKKZAUKXJP-WDEREUQCSA-N 2 0 284.360 -1.712 20 0 CAADRP C[C@]1(C(=O)NCC(=O)N2CC[NH2+]CC2)CCC[NH2+]1 ZINC000574683935 335039398 /nfs/dbraw/zinc/03/93/98/335039398.db2.gz LNQYZWCMSKGIMH-GFCCVEGCSA-N 2 0 254.334 -1.324 20 0 CAADRP CCC[N@H+](C)CC(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000574689668 335039856 /nfs/dbraw/zinc/03/98/56/335039856.db2.gz VMOQDWLIFFETQN-UHFFFAOYSA-N 2 0 256.350 -1.124 20 0 CAADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN([C@H]2COC[C@H]2O)CC1 ZINC000574735106 335043278 /nfs/dbraw/zinc/04/32/78/335043278.db2.gz UFTUVMLLKHGHTP-FRRDWIJNSA-N 2 0 283.372 -1.016 20 0 CAADRP CN(CC(N)=O)[C@H]1CCN(C(=O)COCC[NH+](C)C)C1 ZINC001193487531 781970341 /nfs/dbraw/zinc/97/03/41/781970341.db2.gz AUGGXADTRBVIQW-NSHDSACASA-N 2 0 286.376 -1.417 20 0 CAADRP CCNC(=O)NC(=O)C[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000063180491 252078360 /nfs/dbraw/zinc/07/83/60/252078360.db2.gz CBVJUXCYBZCVQN-JTQLQIEISA-N 2 0 299.375 -1.381 20 0 CAADRP CNS(=O)(=O)C[C@H]1CCC[N@@H+]1CCOCC[NH3+] ZINC000357074357 252145111 /nfs/dbraw/zinc/14/51/11/252145111.db2.gz GNPXEPQOCJCXJT-SNVBAGLBSA-N 2 0 265.379 -1.025 20 0 CAADRP COC[C@]1(CNC(=O)[C@H]2C[NH2+]CCO2)CCC[NH2+]1 ZINC000357277408 252147229 /nfs/dbraw/zinc/14/72/29/252147229.db2.gz XBAOJOHYDFVOLS-ZYHUDNBSSA-N 2 0 257.334 -1.140 20 0 CAADRP NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C[C@@H]1COCC[NH2+]1 ZINC000357169117 252147718 /nfs/dbraw/zinc/14/77/18/252147718.db2.gz CHONZRDDFSLSEC-NEPJUHHUSA-N 2 0 298.387 -1.179 20 0 CAADRP NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)C[C@H]1COCC[NH2+]1 ZINC000357169119 252148445 /nfs/dbraw/zinc/14/84/45/252148445.db2.gz CHONZRDDFSLSEC-NWDGAFQWSA-N 2 0 298.387 -1.179 20 0 CAADRP C[NH+](C)CCNC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000357243134 252148509 /nfs/dbraw/zinc/14/85/09/252148509.db2.gz QMHQUVWWCKWWIO-JTQLQIEISA-N 2 0 256.350 -1.078 20 0 CAADRP COC[C@]1(CNC(=O)[C@@H]2C[NH2+]CCO2)CCC[NH2+]1 ZINC000357277404 252148611 /nfs/dbraw/zinc/14/86/11/252148611.db2.gz XBAOJOHYDFVOLS-CMPLNLGQSA-N 2 0 257.334 -1.140 20 0 CAADRP COCCC[N@H+](C)CCNC(=O)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000357934177 252153309 /nfs/dbraw/zinc/15/33/09/252153309.db2.gz ZYOJQCOTIPHPEU-GHMZBOCLSA-N 2 0 259.350 -1.206 20 0 CAADRP COCC[N@H+](C)CCCNC(=O)[C@H]1C[C@H](O)C[NH2+]1 ZINC000357928971 252153845 /nfs/dbraw/zinc/15/38/45/252153845.db2.gz MUBNJWZGSFTBMF-WDEREUQCSA-N 2 0 259.350 -1.206 20 0 CAADRP COCC[N@H+](C)CCCNC(=O)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000357928969 252153995 /nfs/dbraw/zinc/15/39/95/252153995.db2.gz MUBNJWZGSFTBMF-MNOVXSKESA-N 2 0 259.350 -1.206 20 0 CAADRP C[N@@H+]1CC[C@@](O)(CNC(=O)[C@@H]2C[NH+]3CCN2CCC3)C1 ZINC000358074896 252155222 /nfs/dbraw/zinc/15/52/22/252155222.db2.gz RXRCWRXKHHPHRI-GXTWGEPZSA-N 2 0 282.388 -1.441 20 0 CAADRP C[NH+](C)CCN1C[C@@H](C(=O)N2CCO[C@H](C[NH3+])C2)CC1=O ZINC000358512769 252156349 /nfs/dbraw/zinc/15/63/49/252156349.db2.gz IBCGIFNYBVOAEH-NWDGAFQWSA-N 2 0 298.387 -1.417 20 0 CAADRP C[N@@H+]1CC[C@](O)(CNC(=O)[C@@H]2C[NH+]3CCN2CCC3)C1 ZINC000358074898 252156404 /nfs/dbraw/zinc/15/64/04/252156404.db2.gz RXRCWRXKHHPHRI-JSGCOSHPSA-N 2 0 282.388 -1.441 20 0 CAADRP C[N@@H+]1CC[C@](O)(CNC(=O)[C@H]2C[NH+]3CCN2CCC3)C1 ZINC000358074899 252156445 /nfs/dbraw/zinc/15/64/45/252156445.db2.gz RXRCWRXKHHPHRI-OCCSQVGLSA-N 2 0 282.388 -1.441 20 0 CAADRP C[NH+](C)CCN1C(=O)C[C@@H]([NH+]2CCC(C(N)=O)CC2)C1=O ZINC000359230567 252158678 /nfs/dbraw/zinc/15/86/78/252158678.db2.gz QUETWYSYUWPFRH-LLVKDONJSA-N 2 0 296.371 -1.127 20 0 CAADRP C[NH+](C)CCN1C(=O)C[C@H]([N@@H+]2CCC[C@@H](C(N)=O)C2)C1=O ZINC000359204718 252158896 /nfs/dbraw/zinc/15/88/96/252158896.db2.gz JGXHQRUKQGBFPN-MNOVXSKESA-N 2 0 296.371 -1.127 20 0 CAADRP Cn1cc(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)c(=O)n(C)c1=O ZINC000359457179 252161001 /nfs/dbraw/zinc/16/10/01/252161001.db2.gz HWRIZXVMLNIAOC-UWVGGRQHSA-N 2 0 264.329 -1.265 20 0 CAADRP CCOC(CNC(=O)C[NH+](C)C)CNC(=O)C[NH+](C)C ZINC000361032484 252170082 /nfs/dbraw/zinc/17/00/82/252170082.db2.gz QCEDLQSLYDCWNT-UHFFFAOYSA-N 2 0 288.392 -1.253 20 0 CAADRP C[NH+](C)CCN1C[C@H](C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)CC1=O ZINC000366462191 252181764 /nfs/dbraw/zinc/18/17/64/252181764.db2.gz NGRGAQMCKKOKOL-DCQANWLSSA-N 2 0 280.372 -1.270 20 0 CAADRP O=C(NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)[C@H]1C[NH2+]CCO1 ZINC000368836810 252187575 /nfs/dbraw/zinc/18/75/75/252187575.db2.gz ZYIVUGIDTLTXGV-SDDRHHMPSA-N 2 0 269.345 -1.046 20 0 CAADRP COCC[N@@H+]1CC[C@H](NC(=O)[C@H]2C[NH2+]CCO2)C1 ZINC000372500767 252196002 /nfs/dbraw/zinc/19/60/02/252196002.db2.gz DTBJLSLTMUHLEO-WDEREUQCSA-N 2 0 257.334 -1.188 20 0 CAADRP COCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2COCCN2)C1 ZINC000376719540 252203619 /nfs/dbraw/zinc/20/36/19/252203619.db2.gz DKQNZHJPWRRGQS-GHMZBOCLSA-N 2 0 257.334 -1.188 20 0 CAADRP COCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2COCCN2)C1 ZINC000376719543 252203901 /nfs/dbraw/zinc/20/39/01/252203901.db2.gz DKQNZHJPWRRGQS-MNOVXSKESA-N 2 0 257.334 -1.188 20 0 CAADRP CN1CCN(C(=O)CC[N@@H+]2CCNC(=O)CC2)CC1 ZINC000374883295 252199655 /nfs/dbraw/zinc/19/96/55/252199655.db2.gz XBRCMUFUBHBPLN-UHFFFAOYSA-N 2 0 268.361 -1.028 20 0 CAADRP CCC[NH2+][C@H](C)C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000515059220 252251848 /nfs/dbraw/zinc/25/18/48/252251848.db2.gz PEDMMFBWJWRHEK-SNVBAGLBSA-N 2 0 256.350 -1.078 20 0 CAADRP COC[C@]1(C(=O)N(C)CC(=O)N2CC[NH2+]CC2)CC[NH2+]C1 ZINC000515056714 252252427 /nfs/dbraw/zinc/25/24/27/252252427.db2.gz OFHKRPXTSVKLPU-AWEZNQCLSA-N 2 0 298.387 -1.497 20 0 CAADRP O=C(CNC(=O)[C@H]1CCC[NH2+]1)NCC[N@@H+]1CCCOCC1 ZINC000515058230 252252831 /nfs/dbraw/zinc/25/28/31/252252831.db2.gz ORQSFTMFGSIDOL-GFCCVEGCSA-N 2 0 298.387 -1.307 20 0 CAADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CC[NH2+][C@@H](C)C2)C1 ZINC000419734622 532976473 /nfs/dbraw/zinc/97/64/73/532976473.db2.gz VNPRKGQWAXNLPF-NWDGAFQWSA-N 2 0 298.387 -1.356 20 0 CAADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000364216403 285036501 /nfs/dbraw/zinc/03/65/01/285036501.db2.gz RUGFGXBCMJDHLA-QJPTWQEYSA-N 2 0 271.361 -1.064 20 0 CAADRP COCC[NH2+]CC(=O)N[C@H](C)CN1CC[NH+](C)CC1 ZINC000431031220 533019171 /nfs/dbraw/zinc/01/91/71/533019171.db2.gz WLDFKUMPOKKROR-GFCCVEGCSA-N 2 0 272.393 -1.026 20 0 CAADRP COCC[NH2+]CC(=O)N[C@@H](C)CN1CC[NH+](C)CC1 ZINC000431031221 285076476 /nfs/dbraw/zinc/07/64/76/285076476.db2.gz WLDFKUMPOKKROR-LBPRGKRZSA-N 2 0 272.393 -1.026 20 0 CAADRP O=C1NC[C@@H]2C[N@H+](CC3CC[NH2+]CC3)CCN2C1=O ZINC000346977939 296379355 /nfs/dbraw/zinc/37/93/55/296379355.db2.gz NQBHGOPFNMRPCL-LLVKDONJSA-N 2 0 266.345 -1.371 20 0 CAADRP CC[NH+]1CCC(NC(=O)CN(CC[NH3+])CCO)CC1 ZINC000342388397 285188086 /nfs/dbraw/zinc/18/80/86/285188086.db2.gz NFHSQFSVJDIYMK-UHFFFAOYSA-N 2 0 272.393 -1.160 20 0 CAADRP COCC[N@H+](C)CCCNC(=O)C(=O)N1CC[NH2+]CC1 ZINC000419677337 533313523 /nfs/dbraw/zinc/31/35/23/533313523.db2.gz MKFCCELQFBZGLY-UHFFFAOYSA-N 2 0 286.376 -1.497 20 0 CAADRP CS(=O)(=O)NCC[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000430603442 533397463 /nfs/dbraw/zinc/39/74/63/533397463.db2.gz KDEVZQQIKMNMAJ-JTQLQIEISA-N 2 0 292.405 -1.678 20 0 CAADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000514825086 289136321 /nfs/dbraw/zinc/13/63/21/289136321.db2.gz OYULVMXPDVZKHW-GFCCVEGCSA-N 3 0 299.419 -1.502 20 0 CAADRP C[C@@H]([NH3+])CNC(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000194916588 545592260 /nfs/dbraw/zinc/59/22/60/545592260.db2.gz SWKWFNHZDQWAJG-NXEZZACHSA-N 2 0 256.350 -1.140 20 0 CAADRP O=C([C@@H]1C[NH2+]CCO1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000343643253 304370175 /nfs/dbraw/zinc/37/01/75/304370175.db2.gz PVHYAIKYIAACKC-RYUDHWBXSA-N 2 0 268.361 -1.519 20 0 CAADRP [NH3+]CCOCC(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000647017818 409328640 /nfs/dbraw/zinc/32/86/40/409328640.db2.gz BAPRJVRNSWWBHQ-LLVKDONJSA-N 2 0 286.376 -1.192 20 0 CAADRP [NH3+]CCOCC(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000647030832 409328971 /nfs/dbraw/zinc/32/89/71/409328971.db2.gz RTRKHRPXTMZXOT-SECBINFHSA-N 2 0 298.309 -1.086 20 0 CAADRP [NH3+]CCOCC(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000647017819 409329468 /nfs/dbraw/zinc/32/94/68/409329468.db2.gz BAPRJVRNSWWBHQ-NSHDSACASA-N 2 0 286.376 -1.192 20 0 CAADRP O=C([C@H]1[C@@H]2C[NH2+]C[C@@H]21)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000648136251 409321437 /nfs/dbraw/zinc/32/14/37/409321437.db2.gz MLUMKDCESBNWBU-NDBYEHHHSA-N 2 0 264.373 -1.042 20 0 CAADRP [NH3+][C@H]1CCCCN(CC(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)C1=O ZINC000648140343 409321819 /nfs/dbraw/zinc/32/18/19/409321819.db2.gz PGGBAEIQFHBLAV-MIZYBKAJSA-N 2 0 266.345 -1.340 20 0 CAADRP CN(CC(=O)N1CC[NH2+]CC1)C(=O)[C@H]1CCO[C@@H]1C[NH3+] ZINC000662401043 409323171 /nfs/dbraw/zinc/32/31/71/409323171.db2.gz IEQOUCMJNZWVAS-WDEREUQCSA-N 2 0 284.360 -1.760 20 0 CAADRP CC(C)OC[C@H]([NH3+])C(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000662429728 409325194 /nfs/dbraw/zinc/32/51/94/409325194.db2.gz SFJUBCCHHMZMGV-QWRGUYRKSA-N 2 0 258.366 -1.160 20 0 CAADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000648148267 409326806 /nfs/dbraw/zinc/32/68/06/409326806.db2.gz YLHALPPKIRPRJI-PWSUYJOCSA-N 2 0 286.376 -1.419 20 0 CAADRP CCCC[N@H+](C)CCNC(=O)C(=O)NC1C[NH2+]C1 ZINC000516750674 409369943 /nfs/dbraw/zinc/36/99/43/409369943.db2.gz ADHAKCMZMJXVQL-UHFFFAOYSA-N 2 0 256.350 -1.078 20 0 CAADRP CC1(OCC(=O)NCCN2CC[NH2+]CC2)C[NH2+]C1 ZINC000647679683 409376069 /nfs/dbraw/zinc/37/60/69/409376069.db2.gz ZRURUXXTPPORMR-UHFFFAOYSA-N 2 0 256.350 -1.614 20 0 CAADRP C[C@H]1CC[NH2+][C@H](C(=O)NCC(=O)N2CC[NH2+]CC2)C1 ZINC000647689905 409383375 /nfs/dbraw/zinc/38/33/75/409383375.db2.gz OUXKHWFTYLAXTB-QWRGUYRKSA-N 2 0 268.361 -1.078 20 0 CAADRP O=C(CNC(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1)N1CC[NH2+]CC1 ZINC000647689918 409383813 /nfs/dbraw/zinc/38/38/13/409383813.db2.gz RPPZUBFKVIZVNE-BBBLOLIVSA-N 2 0 252.318 -1.715 20 0 CAADRP O=C(CNC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21)N1CC[NH2+]CC1 ZINC000647689892 409383855 /nfs/dbraw/zinc/38/38/55/409383855.db2.gz OAXZPYMLAORUNP-JZYVYDRUSA-N 2 0 252.318 -2.000 20 0 CAADRP COC[C@]1(C(=O)NCC(=O)N2CC[NH2+]CC2)CCC[NH2+]1 ZINC000647689901 409384558 /nfs/dbraw/zinc/38/45/58/409384558.db2.gz ODJIEZPRHLYMJG-ZDUSSCGKSA-N 2 0 284.360 -1.697 20 0 CAADRP [NH3+]C[C@H](NC(=O)CNC(=O)[C@@H]1CCC[NH2+]1)C(F)(F)F ZINC000655516824 409393197 /nfs/dbraw/zinc/39/31/97/409393197.db2.gz ZNQPCYZKYNIKBF-BQBZGAKWSA-N 2 0 282.266 -1.140 20 0 CAADRP CCO[C@@H]1CN(C(=O)NCCN2CC[NH2+]CC2)C[C@H]1C[NH3+] ZINC000652201394 409394577 /nfs/dbraw/zinc/39/45/77/409394577.db2.gz DWEHXGZWMUABEO-CHWSQXEVSA-N 2 0 299.419 -1.103 20 0 CAADRP C[NH2+]C[C@](C)(O)C[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000652335478 409394779 /nfs/dbraw/zinc/39/47/79/409394779.db2.gz LKUWUOMDGLKKJP-AAEUAGOBSA-N 3 0 272.393 -1.256 20 0 CAADRP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653124610 409331905 /nfs/dbraw/zinc/33/19/05/409331905.db2.gz BSEKPLIJODVCFR-YDHLFZDLSA-N 2 0 296.415 -1.026 20 0 CAADRP O=C(N1C[C@H]2C[NH2+]C[C@H]2C1)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653136771 409332044 /nfs/dbraw/zinc/33/20/44/409332044.db2.gz FDXSCDOSSSKWNH-NOHGZBONSA-N 2 0 251.330 -1.100 20 0 CAADRP C[NH+](C)CCn1ccc(NC(=O)C2(O)C[NH2+]C2)n1 ZINC000662704846 409332765 /nfs/dbraw/zinc/33/27/65/409332765.db2.gz LJTUBDLZIZANPU-UHFFFAOYSA-N 2 0 253.306 -1.283 20 0 CAADRP C[NH+]1CCN(CCNC(=O)[C@]23C[NH2+]C[C@H]2COC3)CC1 ZINC000653123964 409333436 /nfs/dbraw/zinc/33/34/36/409333436.db2.gz MYRVBMGVRMWRIJ-JSGCOSHPSA-N 2 0 282.388 -1.414 20 0 CAADRP NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)C2(O)C[NH2+]C2)C1 ZINC000662706918 409335402 /nfs/dbraw/zinc/33/54/02/409335402.db2.gz YZFQNNOOKATYRF-JTQLQIEISA-N 2 0 284.360 -1.976 20 0 CAADRP [NH3+][C@@H]1CN(C(=O)CNC(=O)[C@@H]2CCC[NH2+]2)CC[C@H]1F ZINC000662750241 409335573 /nfs/dbraw/zinc/33/55/73/409335573.db2.gz SYEBXNKDBLUIPB-BBBLOLIVSA-N 2 0 272.324 -1.248 20 0 CAADRP C[NH+](C)CCOCCNC(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653153092 409336116 /nfs/dbraw/zinc/33/61/16/409336116.db2.gz HPJJOQLLHOLMRD-AAEUAGOBSA-N 2 0 271.361 -1.083 20 0 CAADRP O=C(NC[C@H]1C[NH2+]CCO1)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653163145 409341443 /nfs/dbraw/zinc/34/14/43/409341443.db2.gz IOEFEFPTEZLJTM-UMNHJUIQSA-N 2 0 255.318 -1.673 20 0 CAADRP O=C(CNC(=O)[C@H]1C[NH2+]CCC1(F)F)N1CC[NH2+]CC1 ZINC000644098083 409350194 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CN(CCN1CC[NH2+]CC1)C(=O)[C@@H]1C[NH2+]CCO1 ZINC000647769748 409405802 /nfs/dbraw/zinc/40/58/02/409405802.db2.gz HYRKENTWNZWZIF-NSHDSACASA-N 2 0 256.350 -1.662 20 0 CAADRP COC[C@@]1(C(=O)N(C)CCN2CC[NH2+]CC2)CC[NH2+]C1 ZINC000647779081 409407719 /nfs/dbraw/zinc/40/77/19/409407719.db2.gz ORNHENNDORFQMB-CQSZACIVSA-N 2 0 284.404 -1.024 20 0 CAADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N(C)CCN1CC[NH2+]CC1 ZINC000647777493 409407755 /nfs/dbraw/zinc/40/77/55/409407755.db2.gz SLYRPNMLMNFQOQ-ZDUSSCGKSA-N 2 0 299.419 -1.551 20 0 CAADRP CO[C@@H](C[NH3+])CC(=O)N(C)CCN1CC[NH2+]CC1 ZINC000647777181 409408283 /nfs/dbraw/zinc/40/82/83/409408283.db2.gz CTSWHQLAXZQOPA-LLVKDONJSA-N 2 0 258.366 -1.286 20 0 CAADRP COC[C@]1(C(=O)N(C)CCN2CC[NH2+]CC2)CC[NH2+]C1 ZINC000647779080 409408756 /nfs/dbraw/zinc/40/87/56/409408756.db2.gz ORNHENNDORFQMB-AWEZNQCLSA-N 2 0 284.404 -1.024 20 0 CAADRP CN(CC(=O)N1CC[NH2+]CC1)C(=O)[C@@H]1C[NH2+]CCO1 ZINC000645134997 409409130 /nfs/dbraw/zinc/40/91/30/409409130.db2.gz WMBUUABRPKTYCJ-JTQLQIEISA-N 2 0 270.333 -2.135 20 0 CAADRP CN1CCN(C(=O)CC[N@H+](C)CCN2CC[NH2+]CC2)CC1 ZINC000647836207 409411213 /nfs/dbraw/zinc/41/12/13/409411213.db2.gz OSDKTJIYXQLICT-UHFFFAOYSA-N 2 0 297.447 -1.013 20 0 CAADRP CNS(=O)(=O)CCC[N@H+](C)CCN1CC[NH2+]CC1 ZINC000647835638 409412926 /nfs/dbraw/zinc/41/29/26/409412926.db2.gz GNWJZJAEQDFPMD-UHFFFAOYSA-N 2 0 278.422 -1.237 20 0 CAADRP CN(CC(=O)N1CCN(C)C[C@H]1C[NH3+])C(=O)C1CC1 ZINC000647872612 409413723 /nfs/dbraw/zinc/41/37/23/409413723.db2.gz HMPBQEUAHBSHNW-LLVKDONJSA-N 2 0 268.361 -1.044 20 0 CAADRP CO[C@H]1C[NH2+][C@@H](C(=O)N2CCO[C@H]([C@H](C)[NH3+])C2)C1 ZINC000647877295 409414395 /nfs/dbraw/zinc/41/43/95/409414395.db2.gz NACFSYMGSXSHGT-ZDCRXTMVSA-N 2 0 257.334 -1.062 20 0 CAADRP CCN1C(=O)[C@@H]2C[N@H+](CCOCC[NH3+])CCN2C1=O ZINC000647891542 409414756 /nfs/dbraw/zinc/41/47/56/409414756.db2.gz OSKKRQULWOYCDB-JTQLQIEISA-N 2 0 270.333 -1.070 20 0 CAADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC000647876814 409415624 /nfs/dbraw/zinc/41/56/24/409415624.db2.gz AOEKAQWHPCKVIL-SCVCMEIPSA-N 2 0 286.376 -1.340 20 0 CAADRP C[C@H]([NH3+])[C@H]1CN(C(=O)COC2(C)C[NH2+]C2)CCO1 ZINC000647877472 409415707 /nfs/dbraw/zinc/41/57/07/409415707.db2.gz RHSDXVQUVYFSDA-VHSXEESVSA-N 2 0 257.334 -1.061 20 0 CAADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000647876815 409415777 /nfs/dbraw/zinc/41/57/77/409415777.db2.gz AOEKAQWHPCKVIL-UMNHJUIQSA-N 2 0 286.376 -1.340 20 0 CAADRP CN1CCN(C(=O)COC2(C)C[NH2+]C2)[C@@H](C[NH3+])C1 ZINC000647874463 409415836 /nfs/dbraw/zinc/41/58/36/409415836.db2.gz YSPDISYSEKLVFJ-JTQLQIEISA-N 3 0 256.350 -1.534 20 0 CAADRP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000659548013 409421015 /nfs/dbraw/zinc/42/10/15/409421015.db2.gz MWPHLDDOSDUKAD-PJXYFTJBSA-N 2 0 297.403 -1.134 20 0 CAADRP COC(CNC(=O)C[NH+](C)C)CNC(=O)C[NH+](C)C ZINC000345989079 409433969 /nfs/dbraw/zinc/43/39/69/409433969.db2.gz JEGOWFPVIKYUNA-UHFFFAOYSA-N 2 0 274.365 -1.643 20 0 CAADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)CCOC1C[NH2+]C1 ZINC000348986157 409442656 /nfs/dbraw/zinc/44/26/56/409442656.db2.gz BJNMHBUGHJYZRX-NSHDSACASA-N 2 0 270.377 -1.273 20 0 CAADRP CN1CC[NH2+]C[C@H]1CNC(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000520228282 409446982 /nfs/dbraw/zinc/44/69/82/409446982.db2.gz DPGQGQGHHGVRFC-NWDGAFQWSA-N 2 0 297.403 -1.736 20 0 CAADRP CCN(CCO)CC[NH2+]C[C@H](O)CN1CCOCC1 ZINC000519614448 409447496 /nfs/dbraw/zinc/44/74/96/409447496.db2.gz YFFKIJMIRRQQFL-ZDUSSCGKSA-N 2 0 275.393 -1.417 20 0 CAADRP CN1CCN(C(=O)CNC(=O)[C@H]2CCC[NH2+]2)[C@@H](C[NH3+])C1 ZINC000519600110 409448310 /nfs/dbraw/zinc/44/83/10/409448310.db2.gz NUBAHOQJJUWGBM-WDEREUQCSA-N 3 0 283.376 -2.044 20 0 CAADRP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NC2C[NH2+]C2)C1 ZINC000659715390 409472687 /nfs/dbraw/zinc/47/26/87/409472687.db2.gz SZYRXATXSNQKIA-SECBINFHSA-N 2 0 254.334 -1.325 20 0 CAADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)[C@]23C[NH2+]C[C@H]2COC3)CCO1 ZINC000653056028 409473102 /nfs/dbraw/zinc/47/31/02/409473102.db2.gz RQKUMQUMBIBJHB-ZPFDUUQYSA-N 2 0 269.345 -1.203 20 0 CAADRP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1C[C@@H]2CC[N@H+](C)[C@@H]2C1 ZINC000423642118 409478939 /nfs/dbraw/zinc/47/89/39/409478939.db2.gz KFEIVYSMMFCROK-GRYCIOLGSA-N 2 0 280.372 -1.031 20 0 CAADRP C[N@@H+]1CC[C@H]2OCCN(C(=O)[C@H]3C[NH2+]CCO3)[C@@H]2C1 ZINC000424186720 409479267 /nfs/dbraw/zinc/47/92/67/409479267.db2.gz TVUCXPWGTADKGH-IJLUTSLNSA-N 2 0 269.345 -1.094 20 0 CAADRP COCC[NH2+]CC(=O)N(CC[NH+](C)C)CC(=O)N(C)C ZINC000659357717 409485355 /nfs/dbraw/zinc/48/53/55/409485355.db2.gz LQGGDWKYDCEALI-UHFFFAOYSA-N 2 0 288.392 -1.299 20 0 CAADRP O[C@@H](CN1CCOCC1)CN1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000653824852 409494943 /nfs/dbraw/zinc/49/49/43/409494943.db2.gz JKWSXRQNDRMSGA-MJBXVCDLSA-N 2 0 285.388 -1.570 20 0 CAADRP C[C@H]([NH3+])[C@H]1CN(C(=O)CNC(=O)[C@H]2CCC[NH2+]2)CCO1 ZINC000646843968 409497303 /nfs/dbraw/zinc/49/73/03/409497303.db2.gz MTVXVFLBSCOSHQ-HBNTYKKESA-N 2 0 284.360 -1.571 20 0 CAADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)C[C@@H]2COCC[NH2+]2)CCO1 ZINC000646850741 409497241 /nfs/dbraw/zinc/49/72/41/409497241.db2.gz IIMFWSFTCKHNQM-AXFHLTTASA-N 2 0 257.334 -1.061 20 0 CAADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)CCNC(=O)[C@H]2CCC[NH2+]2)CCO1 ZINC000646843318 409496555 /nfs/dbraw/zinc/49/65/55/409496555.db2.gz IKELBWKOGSMFGU-TUAOUCFPSA-N 2 0 298.387 -1.181 20 0 CAADRP O=C(NCC[N@@H+]1CCCOCC1)[C@@H]1C[NH2+]CCO1 ZINC000646504092 409490985 /nfs/dbraw/zinc/49/09/85/409490985.db2.gz VEVZKSGOTBZSKQ-NSHDSACASA-N 2 0 257.334 -1.187 20 0 CAADRP C[C@@H]1C[NH2+]CCN1C(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000646657918 409491663 /nfs/dbraw/zinc/49/16/63/409491663.db2.gz APJWBVWCDKGCJI-ZJUUUORDSA-N 2 0 254.334 -1.325 20 0 CAADRP CC(C)[C@H]([NH3+])CC(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000646637978 409491765 /nfs/dbraw/zinc/49/17/65/409491765.db2.gz PHZPDRAWJGQYLX-SNVBAGLBSA-N 2 0 256.350 -1.092 20 0 CAADRP CC(C)C[C@@H]([NH3+])C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000646636891 409491813 /nfs/dbraw/zinc/49/18/13/409491813.db2.gz DUEKTTXFIGILET-SNVBAGLBSA-N 2 0 256.350 -1.092 20 0 CAADRP COC[C@@]1(C(=O)NCCN2CC[NH2+]CC2)CC[NH2+]C1 ZINC000646631838 409492542 /nfs/dbraw/zinc/49/25/42/409492542.db2.gz HVOYPWAPYUAUQP-CYBMUJFWSA-N 2 0 270.377 -1.366 20 0 CAADRP [NH3+]CCOCC(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000646638606 409493114 /nfs/dbraw/zinc/49/31/14/409493114.db2.gz YLKJMJZEKMALCX-GFCCVEGCSA-N 2 0 298.387 -1.368 20 0 CAADRP O=C(Nc1nc(N2CC[NH2+]CC2)n[nH]1)[C@H]1C[NH2+]CCO1 ZINC000646803726 409494413 /nfs/dbraw/zinc/49/44/13/409494413.db2.gz JYVXIBJRZCLGER-MRVPVSSYSA-N 2 0 281.320 -1.859 20 0 CAADRP [NH3+]C1(CNC(=O)NCC(=O)N2CC[NH2+]CC2)CCCC1 ZINC000659508505 409557288 /nfs/dbraw/zinc/55/72/88/409557288.db2.gz REYPRQFMMJURRA-UHFFFAOYSA-N 2 0 283.376 -1.011 20 0 CAADRP O=C(NCCN1CC[NH2+]CC1)NCC12CC(C1)C[NH2+]2 ZINC000659508124 409557388 /nfs/dbraw/zinc/55/73/88/409557388.db2.gz RUGRVNFGUGBVFK-UHFFFAOYSA-N 2 0 267.377 -1.057 20 0 CAADRP C[C@H](C[NH3+])NC(=O)N(CC[NH+](C)C)CC(=O)N(C)C ZINC000659530257 409558613 /nfs/dbraw/zinc/55/86/13/409558613.db2.gz HIABHPKDGXMZNM-SNVBAGLBSA-N 2 0 273.381 -1.005 20 0 CAADRP [NH3+][C@@H]1CN(C(=O)NCC(=O)N2CC[NH2+]CC2)CC[C@H]1F ZINC000659509099 409558817 /nfs/dbraw/zinc/55/88/17/409558817.db2.gz VQTQFZMHZNSWFC-NXEZZACHSA-N 2 0 287.339 -1.501 20 0 CAADRP C[NH2+]C[C@H](C)NC(=O)C(=O)N[C@@H](C)[C@@H]1CN(C)CCO1 ZINC000659697704 409563876 /nfs/dbraw/zinc/56/38/76/409563876.db2.gz UGTLATITXNOEDV-DCAQKATOSA-N 2 0 286.376 -1.454 20 0 CAADRP Cn1ccnc1CNC(=O)C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000659704522 409564316 /nfs/dbraw/zinc/56/43/16/409564316.db2.gz ODIQGISTDQWWPE-RKDXNWHRSA-N 2 0 283.307 -1.066 20 0 CAADRP C[C@@H](NC(=O)C(=O)N[C@H]1CC[NH2+]C1)[C@@H]1CN(C)CCO1 ZINC000659697769 409566214 /nfs/dbraw/zinc/56/62/14/409566214.db2.gz VIBTUBHNZYBZEE-VWYCJHECSA-N 2 0 284.360 -1.700 20 0 CAADRP C[C@H]([NH3+])[C@H]1CN(C(=O)CNC(=O)[C@@H]2CCC[NH2+]2)CCO1 ZINC000646843967 409497795 /nfs/dbraw/zinc/49/77/95/409497795.db2.gz MTVXVFLBSCOSHQ-GARJFASQSA-N 2 0 284.360 -1.571 20 0 CAADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)CCO1 ZINC000646843316 409497932 /nfs/dbraw/zinc/49/79/32/409497932.db2.gz IKELBWKOGSMFGU-SRVKXCTJSA-N 2 0 298.387 -1.181 20 0 CAADRP C[N@@H+]1CCC[C@@H](NC(=O)C(=O)N[C@H]2CC[NH2+]C2)C1 ZINC000659731211 409567485 /nfs/dbraw/zinc/56/74/85/409567485.db2.gz RVKKSTRMMTZUDY-VHSXEESVSA-N 2 0 254.334 -1.325 20 0 CAADRP O=C(NC[C@H]1C[NH2+]CCO1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000655969342 409521478 /nfs/dbraw/zinc/52/14/78/409521478.db2.gz HNFXDDRTTPJMNU-QJPTWQEYSA-N 2 0 284.360 -1.565 20 0 CAADRP COCC[NH2+]CCNC(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000655965172 409521985 /nfs/dbraw/zinc/52/19/85/409521985.db2.gz PWLWDPFUTMSTDS-NWDGAFQWSA-N 2 0 286.376 -1.317 20 0 CAADRP O=C(NC[C@@H]1C[NH2+]CCO1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000655969343 409523298 /nfs/dbraw/zinc/52/32/98/409523298.db2.gz HNFXDDRTTPJMNU-TUAOUCFPSA-N 2 0 284.360 -1.565 20 0 CAADRP [NH3+]C[C@@H](NC(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)C1CC1 ZINC000656025122 409524556 /nfs/dbraw/zinc/52/45/56/409524556.db2.gz YZLCHRXBHFDXBV-QJPTWQEYSA-N 2 0 296.371 -1.883 20 0 CAADRP C[C@H](C[NH3+])CNC(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000656023236 409524736 /nfs/dbraw/zinc/52/47/36/409524736.db2.gz ZNTSIHKGTZWCOX-OUAUKWLOSA-N 2 0 284.360 -2.025 20 0 CAADRP O=C(NC1C[NH2+]C1)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000656023253 409524954 /nfs/dbraw/zinc/52/49/54/409524954.db2.gz ZSPMNNOOMFDJER-VHSXEESVSA-N 2 0 268.317 -2.648 20 0 CAADRP [NH3+]C[C@H](NC(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)C1CC1 ZINC000656025123 409525022 /nfs/dbraw/zinc/52/50/22/409525022.db2.gz YZLCHRXBHFDXBV-TUAOUCFPSA-N 2 0 296.371 -1.883 20 0 CAADRP O=C(N[C@H]1CC[NH2+]C1)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000656020415 409525171 /nfs/dbraw/zinc/52/51/71/409525171.db2.gz RNSWHOAXWOTGHM-GARJFASQSA-N 2 0 282.344 -2.258 20 0 CAADRP CC[NH2+][C@H](C)CNC(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000656025658 409525202 /nfs/dbraw/zinc/52/52/02/409525202.db2.gz PJJIPSHVJAOAFN-GRYCIOLGSA-N 2 0 298.387 -1.622 20 0 CAADRP C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000656024917 409527255 /nfs/dbraw/zinc/52/72/55/409527255.db2.gz XOPIWMFWFNTDHW-WHOHXGKFSA-N 2 0 298.387 -1.494 20 0 CAADRP C[C@@H](CC[NH3+])NC(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000656023176 409527561 /nfs/dbraw/zinc/52/75/61/409527561.db2.gz XLHVQGKOUWJAEZ-GARJFASQSA-N 2 0 284.360 -1.883 20 0 CAADRP CC(C)[C@H]([NH3+])CNC(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000656023201 409527580 /nfs/dbraw/zinc/52/75/80/409527580.db2.gz YFQNPBFDRVKXFH-QJPTWQEYSA-N 2 0 298.387 -1.637 20 0 CAADRP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NC[C@H]2C[NH2+]CCO2)C1 ZINC000659730072 409568832 /nfs/dbraw/zinc/56/88/32/409568832.db2.gz UWGKXZZNUNMQEG-VXGBXAGGSA-N 2 0 298.387 -1.309 20 0 CAADRP CN(CC[NH3+])C(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000656105200 409529551 /nfs/dbraw/zinc/52/95/51/409529551.db2.gz ZENCYAXGFMRIIH-VHSXEESVSA-N 2 0 270.333 -2.319 20 0 CAADRP 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 409531971 /nfs/dbraw/zinc/53/19/71/409531971.db2.gz FHFUMTWKOYOESH-WRWGMCAJSA-N 2 0 296.371 -1.931 20 0 CAADRP O=C(CCOC1C[NH2+]C1)N1CCOC2(C[NH2+]C2)C1 ZINC000663492263 409620671 /nfs/dbraw/zinc/62/06/71/409620671.db2.gz QSJINTAKYNBXBH-UHFFFAOYSA-N 2 0 255.318 -1.434 20 0 CAADRP O=C(C[NH2+]C[C@@H]1CCCO1)N1CCOC2(C[NH2+]C2)C1 ZINC000663484760 409621050 /nfs/dbraw/zinc/62/10/50/409621050.db2.gz HIQADSCIXSQUKD-NSHDSACASA-N 2 0 269.345 -1.044 20 0 CAADRP O=C(N1CCOC2(C[NH2+]C2)C1)[C@]12C[NH2+]C[C@H]1COC2 ZINC000663217100 409621118 /nfs/dbraw/zinc/62/11/18/409621118.db2.gz CGFCSAZWTGQZEK-GWCFXTLKSA-N 2 0 267.329 -1.577 20 0 CAADRP O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)N1CCOC2(C[NH2+]C2)C1 ZINC000663491898 409622750 /nfs/dbraw/zinc/62/27/50/409622750.db2.gz MQERLFJKRPCTLY-NSHDSACASA-N 2 0 296.371 -1.555 20 0 CAADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)NC[C@H]2C[NH2+]CCO2)C1 ZINC000659730068 409570591 /nfs/dbraw/zinc/57/05/91/409570591.db2.gz UWGKXZZNUNMQEG-NWDGAFQWSA-N 2 0 298.387 -1.309 20 0 CAADRP C[NH2+]C[C@H](C)NC(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000659756044 409572065 /nfs/dbraw/zinc/57/20/65/409572065.db2.gz PKSVTQRITJRHKC-GARJFASQSA-N 2 0 284.360 -2.012 20 0 CAADRP C[NH2+]C[C@H](C)NC(=O)C(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000659750268 409574004 /nfs/dbraw/zinc/57/40/04/409574004.db2.gz FRFJONMTVKZJEU-VHSXEESVSA-N 2 0 256.350 -1.079 20 0 CAADRP C[NH2+]C[C@@H](C)NC(=O)C(=O)N(CCOC)CC[NH+](C)C ZINC000659754586 409574358 /nfs/dbraw/zinc/57/43/58/409574358.db2.gz VQRJUDCOYXBUDH-LLVKDONJSA-N 2 0 288.392 -1.253 20 0 CAADRP O[C@@H]1COCCN(C/C=C\C[N@@H+]2CCOC[C@@H](O)C2)C1 ZINC000660668037 409576548 /nfs/dbraw/zinc/57/65/48/409576548.db2.gz BVHUNMXFYIXEMV-GFCAHOMWSA-N 2 0 286.372 -1.071 20 0 CAADRP CO[C@@H]1C[NH+](C/C=C/C[N@@H+]2C[C@@H](O)[C@H](OC)C2)C[C@H]1O ZINC000660735922 409580985 /nfs/dbraw/zinc/58/09/85/409580985.db2.gz MZOVDCXGKUATRG-DNLLBMQLSA-N 2 0 286.372 -1.074 20 0 CAADRP CN(CC(=O)N1CC[NH2+]CC1)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662243508 409586629 /nfs/dbraw/zinc/58/66/29/409586629.db2.gz MDWMSXCUKGYZII-LBPRGKRZSA-N 2 0 282.388 -1.129 20 0 CAADRP [NH3+]CCN(C[C@@H](O)CO)C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000662287565 409591895 /nfs/dbraw/zinc/59/18/95/409591895.db2.gz CUPYTVDHNFWGAQ-ILXRZTDVSA-N 2 0 297.399 -1.469 20 0 CAADRP CN(CC(=O)N1CC[NH2+]CC1)C(=O)C1(O)C[NH2+]C1 ZINC000662401376 409594875 /nfs/dbraw/zinc/59/48/75/409594875.db2.gz SVAWMEGZNPERKU-UHFFFAOYSA-N 2 0 256.306 -2.789 20 0 CAADRP [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)C2(O)C[NH2+]C2)C1 ZINC000662405511 409595689 /nfs/dbraw/zinc/59/56/89/409595689.db2.gz MNBSAFINWOUXPO-SECBINFHSA-N 2 0 270.333 -2.366 20 0 CAADRP COCCC[N@H+](C)CCNC(=O)c1cn(CC[NH3+])nn1 ZINC000662476901 409598707 /nfs/dbraw/zinc/59/87/07/409598707.db2.gz VPTVFXBTFQRVJJ-UHFFFAOYSA-N 2 0 284.364 -1.065 20 0 CAADRP C[C@@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001195677861 782012611 /nfs/dbraw/zinc/01/26/11/782012611.db2.gz VTQBAOREZTWJFV-IJLUTSLNSA-N 2 0 285.388 -1.130 20 0 CAADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C2(O)C[NH2+]C2)C1 ZINC000662668298 409602886 /nfs/dbraw/zinc/60/28/86/409602886.db2.gz KEIPQWHZAKLGSE-LLVKDONJSA-N 2 0 271.361 -1.206 20 0 CAADRP O=C(N1CC[C@H](N2CC[NH2+]CC2)C1)C1(O)C[NH2+]C1 ZINC000662777795 409606933 /nfs/dbraw/zinc/60/69/33/409606933.db2.gz CTHGKLJFXRAPET-JTQLQIEISA-N 2 0 254.334 -2.173 20 0 CAADRP CCN1CC[NH+](CCCCNC(=O)C2(O)C[NH2+]C2)CC1 ZINC000662757798 409607798 /nfs/dbraw/zinc/60/77/98/409607798.db2.gz NVBBAAKARFLQPP-UHFFFAOYSA-N 2 0 284.404 -1.145 20 0 CAADRP O=C(N1CC[C@@H](N2CC[NH2+]CC2)C1)C1(O)C[NH2+]C1 ZINC000662777798 409609134 /nfs/dbraw/zinc/60/91/34/409609134.db2.gz CTHGKLJFXRAPET-SNVBAGLBSA-N 2 0 254.334 -2.173 20 0 CAADRP CN(CCC[NH+](C)C)CCNC(=O)C1(O)C[NH2+]C1 ZINC000662857380 409610132 /nfs/dbraw/zinc/61/01/32/409610132.db2.gz LJLYMCCAQBEEHD-UHFFFAOYSA-N 2 0 258.366 -1.680 20 0 CAADRP COCC[NH2+]C1CCN(C(=O)C2(O)C[NH2+]C2)CC1 ZINC000662827197 409610651 /nfs/dbraw/zinc/61/06/51/409610651.db2.gz FRXHUELIHKRKII-UHFFFAOYSA-N 2 0 257.334 -1.452 20 0 CAADRP O=C(NC1CCC(N2CC[NH2+]CC2)CC1)C1(O)C[NH2+]C1 ZINC000662816107 409612262 /nfs/dbraw/zinc/61/22/62/409612262.db2.gz VZKKJRLVQBBLDG-UHFFFAOYSA-N 2 0 282.388 -1.347 20 0 CAADRP C[NH2+]C[C@@H](C)NC(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000662966915 409614925 /nfs/dbraw/zinc/61/49/25/409614925.db2.gz VVESAAYKAFXQCM-NXEZZACHSA-N 2 0 256.350 -1.031 20 0 CAADRP C[NH2+]C[C@H](C)NC(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000662966918 409615785 /nfs/dbraw/zinc/61/57/85/409615785.db2.gz VVESAAYKAFXQCM-VHSXEESVSA-N 2 0 256.350 -1.031 20 0 CAADRP C[NH+](C)CCn1ccc(NC(=O)COC2C[NH2+]C2)n1 ZINC000430866031 409644725 /nfs/dbraw/zinc/64/47/25/409644725.db2.gz FTRCAEBREUKCKJ-UHFFFAOYSA-N 2 0 267.333 -0.628 20 0 CAADRP C[C@@H](O)C[N@@H+]1CCN(C(=O)CNC(=O)C[NH3+])C[C@H]1C ZINC000347671976 287089414 /nfs/dbraw/zinc/08/94/14/287089414.db2.gz BEMALLDSBLYXTJ-NXEZZACHSA-N 2 0 272.349 -2.025 20 0 CAADRP C[N@H+](CCC(=O)NC(N)=O)CC(=O)N1CC[NH2+]CC1 ZINC000038031430 174026256 /nfs/dbraw/zinc/02/62/56/174026256.db2.gz OONFIBMEODWKIV-UHFFFAOYSA-N 2 0 271.321 -2.065 20 0 CAADRP CNC(=O)NC(=O)CC[N@H+](C)CCN1CC[NH2+]CC1 ZINC000071150332 176045339 /nfs/dbraw/zinc/04/53/39/176045339.db2.gz GNCSFBWADDNNGI-UHFFFAOYSA-N 2 0 271.365 -1.331 20 0 CAADRP C[C@@H]1C[C@H](NC(=O)CNC(=O)C[NH3+])C[N@@H+]1C1CC1 ZINC000347662740 226215075 /nfs/dbraw/zinc/21/50/75/226215075.db2.gz FCBXRIHLLVHBBR-BDAKNGLRSA-N 2 0 254.334 -1.197 20 0 CAADRP [NH3+]CC(=O)NCC(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000347649779 226225676 /nfs/dbraw/zinc/22/56/76/226225676.db2.gz JFKCMEPASIWMLB-UHFFFAOYSA-N 2 0 298.387 -1.368 20 0 CAADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)CNC(=O)C[NH3+] ZINC000347694087 226236674 /nfs/dbraw/zinc/23/66/74/226236674.db2.gz QQRKXEVBPCUHJO-SNVBAGLBSA-N 2 0 272.349 -1.712 20 0 CAADRP C[C@H](C[NH3+])NC(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000347704995 226240130 /nfs/dbraw/zinc/24/01/30/226240130.db2.gz WAYUQGLDLHXQCH-ZJUUUORDSA-N 2 0 256.350 -1.140 20 0 CAADRP C[NH+](C)CCNC(=O)COCC(=O)NCC[NH+](C)C ZINC000347963840 226389765 /nfs/dbraw/zinc/38/97/65/226389765.db2.gz KETMTKSZWNBRST-UHFFFAOYSA-N 2 0 274.365 -1.641 20 0 CAADRP COC[C@@H]([NH3+])C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000262223296 230226287 /nfs/dbraw/zinc/22/62/87/230226287.db2.gz FVPMHLPXHMKIQW-GFCCVEGCSA-N 2 0 298.387 -1.273 20 0 CAADRP C[C@H](C[NH3+])C(=O)N[C@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000262416609 230229731 /nfs/dbraw/zinc/22/97/31/230229731.db2.gz RFMMXGQBEUPUQF-NEPJUHHUSA-N 2 0 298.387 -1.370 20 0 CAADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)N1CC[NH2+]CC1 ZINC000419534205 230253714 /nfs/dbraw/zinc/25/37/14/230253714.db2.gz JPSVFXKSWKTRJN-LBPRGKRZSA-N 2 0 298.387 -1.355 20 0 CAADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CC[NH2+]C[C@H]2C)C1 ZINC000419727456 230255152 /nfs/dbraw/zinc/25/51/52/230255152.db2.gz LJGVKCWLMLQHDC-NEPJUHHUSA-N 2 0 298.387 -1.356 20 0 CAADRP COCC[N@H+](C)CCNC(=O)C(=O)NC[C@@H]([NH3+])C(C)C ZINC000419356826 230255175 /nfs/dbraw/zinc/25/51/75/230255175.db2.gz NQPZNDAAUNCBOF-LLVKDONJSA-N 2 0 288.392 -1.220 20 0 CAADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CC[NH2+][C@H](C)C2)C1 ZINC000419734620 230255206 /nfs/dbraw/zinc/25/52/06/230255206.db2.gz VNPRKGQWAXNLPF-NEPJUHHUSA-N 2 0 298.387 -1.356 20 0 CAADRP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C(=O)NCC[NH3+] ZINC000419819211 230256443 /nfs/dbraw/zinc/25/64/43/230256443.db2.gz PRYIKOZEORELKR-LLVKDONJSA-N 2 0 286.376 -1.370 20 0 CAADRP CN(CC[NH3+])C(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000424001222 230279260 /nfs/dbraw/zinc/27/92/60/230279260.db2.gz GSEPJQJQQLMIFP-SNVBAGLBSA-N 2 0 256.350 -1.186 20 0 CAADRP C[C@H](CNC(=O)[C@@H]1C[NH2+]CCO1)C[NH+]1CCN(C)CC1 ZINC000431012287 230310553 /nfs/dbraw/zinc/31/05/53/230310553.db2.gz ABFJCIIYIHKION-OLZOCXBDSA-N 2 0 284.404 -1.026 20 0 CAADRP C[NH2+]CCCC(=O)N(C)CC(=O)N1CC[NH2+]CC1 ZINC000517233271 260122062 /nfs/dbraw/zinc/12/20/62/260122062.db2.gz MXAZMCGWLUFIKJ-UHFFFAOYSA-N 2 0 256.350 -1.124 20 0 CAADRP COC(=O)C[C@H]([NH3+])C(=O)NCCOCC[NH+](C)C ZINC000518371665 260386370 /nfs/dbraw/zinc/38/63/70/260386370.db2.gz DMDCPLFELYJDTM-VIFPVBQESA-N 2 0 261.322 -1.429 20 0 CAADRP COC[C@@]1(C(=O)NC[C@H]2C[NH2+]CCN2C)CC[NH2+]C1 ZINC000518167953 269088915 /nfs/dbraw/zinc/08/89/15/269088915.db2.gz UAEIYDAPVCRHFD-DGCLKSJQSA-N 2 0 270.377 -1.368 20 0 CAADRP CO[C@@H]1C[NH2+][C@@H](C(=O)NCCN2CC[NH2+]CC2)C1 ZINC000519637760 269089169 /nfs/dbraw/zinc/08/91/69/269089169.db2.gz KFMDBNXEMUJFBD-WDEREUQCSA-N 2 0 256.350 -1.615 20 0 CAADRP CC[NH2+]CCNC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000521464357 269089480 /nfs/dbraw/zinc/08/94/80/269089480.db2.gz SWOZVCBMRCWUMX-NXEZZACHSA-N 2 0 269.349 -1.451 20 0 CAADRP O=C(C[C@H]1C[NH2+]CCO1)NCCCN1CC[NH2+]CC1 ZINC000519823789 269089553 /nfs/dbraw/zinc/08/95/53/269089553.db2.gz IVMAUZFFUSYKNH-LBPRGKRZSA-N 2 0 270.377 -1.224 20 0 CAADRP CN(CCN1CC[NH2+]CC1)CC(=O)N1CC[NH2+]CC1 ZINC000519827759 269089701 /nfs/dbraw/zinc/08/97/01/269089701.db2.gz UQKWTAYOOQOQNV-UHFFFAOYSA-N 2 0 269.393 -1.745 20 0 CAADRP O=C(C[C@@H]1C[NH2+]CCO1)NCCCN1CC[NH2+]CC1 ZINC000519823780 269089709 /nfs/dbraw/zinc/08/97/09/269089709.db2.gz IVMAUZFFUSYKNH-GFCCVEGCSA-N 2 0 270.377 -1.224 20 0 CAADRP CCN1C[C@@H](C(=O)N2CCN(C)C[C@@H]2C[NH3+])CC1=O ZINC000522001311 269090169 /nfs/dbraw/zinc/09/01/69/269090169.db2.gz PKYSRISQMMVKGF-QWRGUYRKSA-N 2 0 268.361 -1.044 20 0 CAADRP COCC[N@@H+]1CC[C@@H](NC(=O)NC[C@H]2COCC[NH2+]2)C1 ZINC000529310631 269092254 /nfs/dbraw/zinc/09/22/54/269092254.db2.gz RBLLUBYECSBQTR-NEPJUHHUSA-N 2 0 286.376 -1.005 20 0 CAADRP O=C(NC[C@@H]1C[NH2+]CCO1)NC[C@H]1COCC[NH2+]1 ZINC000529344188 269092296 /nfs/dbraw/zinc/09/22/96/269092296.db2.gz QZUUWYJGVVVZFH-UWVGGRQHSA-N 2 0 258.322 -1.738 20 0 CAADRP COCC[N@@H+]1CC[C@@H](NC(=O)NC[C@@H]2COCC[NH2+]2)C1 ZINC000529310634 269092403 /nfs/dbraw/zinc/09/24/03/269092403.db2.gz RBLLUBYECSBQTR-VXGBXAGGSA-N 2 0 286.376 -1.005 20 0 CAADRP CN1CC[NH2+]C[C@H]1CNC(=O)NC[C@H]1COCC[NH2+]1 ZINC000529342182 269092735 /nfs/dbraw/zinc/09/27/35/269092735.db2.gz LHGPEBYXVZSBJK-QWRGUYRKSA-N 2 0 271.365 -1.822 20 0 CAADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)NC[C@@H]2COCC[NH2+]2)CCO1 ZINC000529390480 269093332 /nfs/dbraw/zinc/09/33/32/269093332.db2.gz USILTHIUBVNNCQ-AXFHLTTASA-N 2 0 272.349 -1.268 20 0 CAADRP O=C(NC[C@@H]1COCC[NH2+]1)NC[C@@H]1C[NH2+]CCCO1 ZINC000529344871 269093752 /nfs/dbraw/zinc/09/37/52/269093752.db2.gz UECRCHZITHNFDT-MNOVXSKESA-N 2 0 272.349 -1.348 20 0 CAADRP CN1CCN(C(=O)NC[C@@H]2COCC[NH2+]2)[C@@H](C[NH3+])C1 ZINC000529389067 269093818 /nfs/dbraw/zinc/09/38/18/269093818.db2.gz QIWQTRBZPIUFPR-MNOVXSKESA-N 2 0 271.365 -1.741 20 0 CAADRP O=C(NC[C@@H]1COCC[NH2+]1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000529387773 269093827 /nfs/dbraw/zinc/09/38/27/269093827.db2.gz MEGHRKZJZKPZCF-MXWKQRLJSA-N 2 0 254.334 -1.022 20 0 CAADRP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](C[C@@H](C)O)C[C@H]1O ZINC001197057557 782045743 /nfs/dbraw/zinc/04/57/43/782045743.db2.gz DPZFKDSBXXYSMO-IJLUTSLNSA-N 2 0 273.377 -1.130 20 0 CAADRP C[NH+](C)C[C@H]1CN(C(=O)[C@H]2C[NH2+]CCO2)CCO1 ZINC000424180940 276805476 /nfs/dbraw/zinc/80/54/76/276805476.db2.gz QAZVRCJLAQFWNK-WDEREUQCSA-N 2 0 257.334 -1.236 20 0 CAADRP CC[C@@H]1CN(C(=O)CNC(=O)C[NH3+])CC[N@@H+]1C[C@H](C)O ZINC000262377410 280350040 /nfs/dbraw/zinc/35/00/40/280350040.db2.gz JVBSBXKLJORRDK-WDEREUQCSA-N 2 0 286.376 -1.635 20 0 CAADRP CN(CCC[N@H+](C)CC(=O)NC(N)=O)CC[NH+](C)C ZINC000344076897 289132236 /nfs/dbraw/zinc/13/22/36/289132236.db2.gz WCJOWDLVLXCAQG-UHFFFAOYSA-N 2 0 273.381 -1.003 20 0 CAADRP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CCO)C[C@H]1O ZINC001197492923 782054424 /nfs/dbraw/zinc/05/44/24/782054424.db2.gz BAVVLXIDUBQEBI-GHMZBOCLSA-N 2 0 259.350 -1.518 20 0 CAADRP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@@H](C)O)C[C@H]1O ZINC001197536108 782054493 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O=C(CNC(=O)[C@H]1CC12CC[NH2+]CC2)N1CC[NH2+]CC1 ZINC000569338875 327087215 /nfs/dbraw/zinc/08/72/15/327087215.db2.gz DHYUOZBBZIDZKN-LLVKDONJSA-N 2 0 280.372 -1.076 20 0 CAADRP [NH3+]CC(=O)NCC(=O)N1C[C@@H]([NH3+])Cc2ccccc21 ZINC000516928456 327128977 /nfs/dbraw/zinc/12/89/77/327128977.db2.gz UMICOBCYNCAMPB-JTQLQIEISA-N 2 0 262.313 -1.022 20 0 CAADRP C[C@@H]1C[NH2+]C[C@H]1C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000569356531 327162230 /nfs/dbraw/zinc/16/22/30/327162230.db2.gz FFXDQJRKVYMPRS-DBIOUOCHSA-N 2 0 266.345 -1.388 20 0 CAADRP C[C@@H]1C[NH2+]C[C@H]1C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000569356532 327162264 /nfs/dbraw/zinc/16/22/64/327162264.db2.gz FFXDQJRKVYMPRS-GWOFURMSSA-N 2 0 266.345 -1.388 20 0 CAADRP C[C@@H]1C[NH2+]C[C@H]1C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000569356533 327162287 /nfs/dbraw/zinc/16/22/87/327162287.db2.gz FFXDQJRKVYMPRS-LMLFDSFASA-N 2 0 266.345 -1.388 20 0 CAADRP C[N@@H+]1CC[C@H]2OCCN(C(=O)COC3C[NH2+]C3)[C@H]2C1 ZINC000569487689 327185596 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CAADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)NC[C@H]1C[NH2+]CCN1C ZINC000583382296 327336043 /nfs/dbraw/zinc/33/60/43/327336043.db2.gz UAQBKFFLKHSSPS-PWSUYJOCSA-N 2 0 285.392 -1.894 20 0 CAADRP CN1CCN(C(=O)C(=O)NCC[N@H+](C)C2CC2)[C@H](C[NH3+])C1 ZINC000561239518 327378198 /nfs/dbraw/zinc/37/81/98/327378198.db2.gz HARATJAJYWNNNV-GFCCVEGCSA-N 2 0 297.403 -1.702 20 0 CAADRP COCCC[N@H+](C)CCNC(=O)C(=O)N(C)CCC[NH3+] ZINC000569625020 327388983 /nfs/dbraw/zinc/38/89/83/327388983.db2.gz IXJGZUUBHVFWHX-UHFFFAOYSA-N 2 0 288.392 -1.122 20 0 CAADRP [NH3+]CC1(CC(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)CC1 ZINC000566495201 327398988 /nfs/dbraw/zinc/39/89/88/327398988.db2.gz DJNWXWRQDZIGFP-VHSXEESVSA-N 2 0 266.345 -1.114 20 0 CAADRP [NH3+][C@@H]1C[C@@H]2CN(C(=O)C[C@H]3CSCC[NH2+]3)CCN2C1=O ZINC000566495876 327399375 /nfs/dbraw/zinc/39/93/75/327399375.db2.gz LNNYDEDSUYKFCI-HBNTYKKESA-N 2 0 298.412 -1.148 20 0 CAADRP [NH3+][C@@H]1C[C@@H]2CN(C(=O)C[C@@H]3CSCC[NH2+]3)CCN2C1=O ZINC000566495875 327399437 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CAADRP O=C(CCOC1C[NH2+]C1)Nc1nc(N2CC[NH2+]CC2)n[nH]1 ZINC000570089520 327568323 /nfs/dbraw/zinc/56/83/23/327568323.db2.gz QECYRTHOZHRALL-UHFFFAOYSA-N 2 0 295.347 -1.469 20 0 CAADRP [NH3+][C@@H]1C[C@@H]2CN(C(=O)NC[C@@H]3CCC[NH2+]C3)CCN2C1=O ZINC000570528846 327598229 /nfs/dbraw/zinc/59/82/29/327598229.db2.gz KHMWURIIKMXUQI-IJLUTSLNSA-N 2 0 295.387 -1.061 20 0 CAADRP C[NH2+]C[C@@H](C)C(=O)N(C)CC(=O)N1CC[NH2+]CC1 ZINC000582357542 328969652 /nfs/dbraw/zinc/96/96/52/328969652.db2.gz ZTONFSIQBPZCER-SNVBAGLBSA-N 2 0 256.350 -1.268 20 0 CAADRP CN(CCC[NH+](C)C)C(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000584362549 329103125 /nfs/dbraw/zinc/10/31/25/329103125.db2.gz HOXRRPGLDTWGRQ-JTQLQIEISA-N 2 0 256.350 -1.125 20 0 CAADRP CN1CC[NH2+]C[C@H]1CNC(=O)C(C)(C)N1CC[NH2+]CC1 ZINC000582545701 329105183 /nfs/dbraw/zinc/10/51/83/329105183.db2.gz BTVBKALBTIKGRG-LBPRGKRZSA-N 2 0 283.420 -1.310 20 0 CAADRP [NH3+][C@@H]1C[C@@H]2CN(C(=O)N[C@H]3CCC[NH2+]C3)CCN2C1=O ZINC000582617474 329118540 /nfs/dbraw/zinc/11/85/40/329118540.db2.gz PNYCJXONHWPSIF-HBNTYKKESA-N 2 0 281.360 -1.308 20 0 CAADRP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(=O)NC1C[NH2+]C1 ZINC000582715720 329129545 /nfs/dbraw/zinc/12/95/45/329129545.db2.gz SJRNXVOTBHXVBS-JTQLQIEISA-N 2 0 268.361 -1.125 20 0 CAADRP C[C@@H]1COCCN1CCNC(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000582797387 329209460 /nfs/dbraw/zinc/20/94/60/329209460.db2.gz OMCZATBPRYUIJT-MNOVXSKESA-N 2 0 284.360 -1.699 20 0 CAADRP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](CCOCC[NH3+])C1 ZINC000583084192 329312013 /nfs/dbraw/zinc/31/20/13/329312013.db2.gz BXGYGSZALNIBDJ-LLVKDONJSA-N 3 0 258.366 -1.251 20 0 CAADRP COC[C@]1(C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)CC[NH2+]C1 ZINC000583274129 329419193 /nfs/dbraw/zinc/41/91/93/329419193.db2.gz OBXYVOGZZISXDJ-WDMOLILDSA-N 2 0 296.371 -1.617 20 0 CAADRP [NH3+][C@H]1C[C@@H]2CN(C(=O)N[C@H]3CC[NH2+]C3)CCN2C1=O ZINC000583764565 329476012 /nfs/dbraw/zinc/47/60/12/329476012.db2.gz MGIVGOIZXYNELI-AEJSXWLSSA-N 2 0 267.333 -1.698 20 0 CAADRP [NH3+][C@@H]1C[C@@H]2CN(C(=O)N[C@H]3CC[NH2+]C3)CCN2C1=O ZINC000583764567 329476118 /nfs/dbraw/zinc/47/61/18/329476118.db2.gz MGIVGOIZXYNELI-IVZWLZJFSA-N 2 0 267.333 -1.698 20 0 CAADRP CC(=O)NCC[NH2+][C@@H]1CC(=O)N(CC[NH+](C)C)C1=O ZINC000571696624 329910468 /nfs/dbraw/zinc/91/04/68/329910468.db2.gz FZUCZQLMGCVHEQ-SNVBAGLBSA-N 2 0 270.333 -1.599 20 0 CAADRP [NH3+][C@H]1C[C@@H]2CN(C(=O)[C@H]3CCCC[NH2+]3)CCN2C1=O ZINC000571893948 329928533 /nfs/dbraw/zinc/92/85/33/329928533.db2.gz BFMFYJPCOKPPMY-OUAUKWLOSA-N 2 0 266.345 -1.101 20 0 CAADRP CC[NH2+]CCNC(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000580429439 330133975 /nfs/dbraw/zinc/13/39/75/330133975.db2.gz GENFXMCYWPWGRE-SNVBAGLBSA-N 2 0 256.350 -1.030 20 0 CAADRP COCC[NH2+]CC(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000569240263 334863349 /nfs/dbraw/zinc/86/33/49/334863349.db2.gz MCBMOSFDPLFMMR-GFCCVEGCSA-N 2 0 270.377 -1.272 20 0 CAADRP [NH3+][C@@H]1C[C@@H]2CN(C(=O)C[NH2+]C[C@H]3CCCO3)CCN2C1=O ZINC000575763591 335113491 /nfs/dbraw/zinc/11/34/91/335113491.db2.gz WPBWWIUHKSVPOJ-IJLUTSLNSA-N 2 0 296.371 -1.475 20 0 CAADRP O=C(C[NH2+]C[C@@H]1CCCO1)NC[C@H]1C[NH2+]CCO1 ZINC000516760865 333081990 /nfs/dbraw/zinc/08/19/90/333081990.db2.gz AVHUUPJBKYOCBQ-WDEREUQCSA-N 2 0 257.334 -1.140 20 0 CAADRP O=C(C[NH2+]C[C@H]1CCCO1)NC[C@H]1C[NH2+]CCO1 ZINC000516760862 333082021 /nfs/dbraw/zinc/08/20/21/333082021.db2.gz AVHUUPJBKYOCBQ-GHMZBOCLSA-N 2 0 257.334 -1.140 20 0 CAADRP [NH3+]C[C@H]1C[N@H+](CCC(=O)N2CC[NH2+]CC2)CCCO1 ZINC000572524318 333185120 /nfs/dbraw/zinc/18/51/20/333185120.db2.gz CSWYMHOZRLHSNV-LBPRGKRZSA-N 3 0 270.377 -1.142 20 0 CAADRP CN(CC[NH+](C)C)C(=O)C(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000576219286 335172029 /nfs/dbraw/zinc/17/20/29/335172029.db2.gz MZMVGHXODYKDDA-NSHDSACASA-N 2 0 285.392 -1.892 20 0 CAADRP O=C(C[C@@H]1COCC[NH2+]1)NCCCN1CC[NH2+]CC1 ZINC000564328243 334109421 /nfs/dbraw/zinc/10/94/21/334109421.db2.gz JBJFQYDZARACGY-GFCCVEGCSA-N 2 0 270.377 -1.224 20 0 CAADRP COCC[N@H+](C)CCNC(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000576242048 335176957 /nfs/dbraw/zinc/17/69/57/335176957.db2.gz MRXDJSBQEFUUHN-JTQLQIEISA-N 2 0 272.349 -1.841 20 0 CAADRP [NH3+][C@H]1C[C@@H]2CN(C(=O)C[NH2+]C3CC3)CCN2C1=O ZINC000564349382 334154171 /nfs/dbraw/zinc/15/41/71/334154171.db2.gz LBOLRFDULWOQTF-ZJUUUORDSA-N 2 0 252.318 -1.491 20 0 CAADRP [NH3+][C@H]1C[C@H]2CN(C(=O)C[NH2+]C3CC3)CCN2C1=O ZINC000564349380 334154187 /nfs/dbraw/zinc/15/41/87/334154187.db2.gz LBOLRFDULWOQTF-UWVGGRQHSA-N 2 0 252.318 -1.491 20 0 CAADRP [NH3+][C@@H]1C[C@H]2CN(C(=O)C[NH2+]C3CC3)CCN2C1=O ZINC000564349381 334154372 /nfs/dbraw/zinc/15/43/72/334154372.db2.gz LBOLRFDULWOQTF-VHSXEESVSA-N 2 0 252.318 -1.491 20 0 CAADRP CN(C(=O)CNC(=O)[C@@H]1CCC[NH2+]1)[C@@H]1CC[NH2+]C1 ZINC000564944571 334529603 /nfs/dbraw/zinc/52/96/03/334529603.db2.gz ULHRQUOKJVTEAB-ZJUUUORDSA-N 2 0 254.334 -1.325 20 0 CAADRP [NH3+]C[C@H]1CC[C@@H](C(=O)NCCN2CC[NH2+]CC2)O1 ZINC000564947406 334529779 /nfs/dbraw/zinc/52/97/79/334529779.db2.gz BVBMFALMEVTEKA-MNOVXSKESA-N 2 0 256.350 -1.486 20 0 CAADRP [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)COC2C[NH2+]C2)C1 ZINC000564947321 334529898 /nfs/dbraw/zinc/52/98/98/334529898.db2.gz JXVICPIDWBOSLJ-SNVBAGLBSA-N 2 0 284.360 -1.712 20 0 CAADRP C[C@@]1(C(=O)NCC(=O)N2CC[NH2+]CC2)CCC[NH2+]C1 ZINC000564983326 334532215 /nfs/dbraw/zinc/53/22/15/334532215.db2.gz RFXLPFBYUXUOLH-CYBMUJFWSA-N 2 0 268.361 -1.076 20 0 CAADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)Cn1cn[nH]c1=O ZINC000152970993 334533645 /nfs/dbraw/zinc/53/36/45/334533645.db2.gz SDMMYANXGIVKTP-UHFFFAOYSA-N 2 0 284.364 -1.477 20 0 CAADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000565251428 334547988 /nfs/dbraw/zinc/54/79/88/334547988.db2.gz VXPPNMWHOUDIDB-KXNHARMFSA-N 2 0 295.387 -1.062 20 0 CAADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000565251427 334548054 /nfs/dbraw/zinc/54/80/54/334548054.db2.gz VXPPNMWHOUDIDB-KKOKHZNYSA-N 2 0 295.387 -1.062 20 0 CAADRP C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000565253135 334548243 /nfs/dbraw/zinc/54/82/43/334548243.db2.gz HKSAYTQQDRCOIO-UWVGGRQHSA-N 2 0 256.350 -1.079 20 0 CAADRP [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)[C@@H]2CC[C@H](C[NH3+])O2)C1 ZINC000565479871 334567024 /nfs/dbraw/zinc/56/70/24/334567024.db2.gz BLNVHTUIABCNBJ-TUAOUCFPSA-N 2 0 298.387 -1.194 20 0 CAADRP [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)[C@@H]2CC[C@H](C[NH3+])O2)C1 ZINC000565479881 334567035 /nfs/dbraw/zinc/56/70/35/334567035.db2.gz BLNVHTUIABCNBJ-UTUOFQBUSA-N 2 0 298.387 -1.194 20 0 CAADRP COCC[NH2+]CCNC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000565669680 334586896 /nfs/dbraw/zinc/58/68/96/334586896.db2.gz HUHGCYHCMIQZPF-GHMZBOCLSA-N 2 0 299.375 -1.824 20 0 CAADRP CCO[C@@H]1COC[C@H]1[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC000566122611 334625372 /nfs/dbraw/zinc/62/53/72/334625372.db2.gz PJTHUGJBTAUQFQ-MGPQQGTHSA-N 2 0 287.404 -1.012 20 0 CAADRP CN(CC(=O)N1CC[NH2+]CC1)C(=O)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000566151336 334628716 /nfs/dbraw/zinc/62/87/16/334628716.db2.gz YULMDVMBBPEOSB-BXUZGUMPSA-N 2 0 280.372 -1.124 20 0 CAADRP CN(CC(=O)N1CC[NH2+]CC1)C(=O)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000566151339 334628843 /nfs/dbraw/zinc/62/88/43/334628843.db2.gz YULMDVMBBPEOSB-FZMZJTMJSA-N 2 0 280.372 -1.124 20 0 CAADRP C[C@@H](C[NH3+])C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000566203740 334635555 /nfs/dbraw/zinc/63/55/55/334635555.db2.gz PALUMIUWPCMTGB-UWVGGRQHSA-N 2 0 256.350 -1.105 20 0 CAADRP C[C@@H]1C[C@H](C)N(C(=O)CNC(=O)C[NH3+])C[C@H]1C[NH3+] ZINC000566680153 334660023 /nfs/dbraw/zinc/66/00/23/334660023.db2.gz PGQFBLPDZMUDAJ-KXUCPTDWSA-N 2 0 256.350 -1.107 20 0 CAADRP C[C@@H]1C[NH+](CCCNC(=O)C(=O)NC2C[NH2+]C2)C[C@@H](C)O1 ZINC000567223241 334694789 /nfs/dbraw/zinc/69/47/89/334694789.db2.gz BEPGVZDIPXPBAQ-GHMZBOCLSA-N 2 0 298.387 -1.310 20 0 CAADRP C[NH2+][C@H]1CCN(C(=O)CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000567383570 334711164 /nfs/dbraw/zinc/71/11/64/334711164.db2.gz JPSXKLPNSJAPQH-VHSXEESVSA-N 2 0 254.334 -1.325 20 0 CAADRP CO[C@H](C[NH3+])C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000567581041 334736621 /nfs/dbraw/zinc/73/66/21/334736621.db2.gz OAVIHOQGILZSNI-RKDXNWHRSA-N 2 0 298.309 -1.088 20 0 CAADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@H]([NH3+])C1 ZINC000567645668 334745531 /nfs/dbraw/zinc/74/55/31/334745531.db2.gz OYULVMXPDVZKHW-LBPRGKRZSA-N 3 0 299.419 -1.502 20 0 CAADRP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)NCC1CC[NH2+]CC1 ZINC000567833957 334766372 /nfs/dbraw/zinc/76/63/72/334766372.db2.gz JGMFUTLPHSYIPV-NSHDSACASA-N 2 0 268.361 -1.030 20 0 CAADRP CN1CC[NH2+]C[C@@H]1CNC(=O)[C@@H]1CC[C@H](C[NH3+])O1 ZINC000567846172 334767897 /nfs/dbraw/zinc/76/78/97/334767897.db2.gz ZVMZCXHWLOKWED-MXWKQRLJSA-N 2 0 256.350 -1.488 20 0 CAADRP CC(C)[NH2+]CC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000568267404 334810630 /nfs/dbraw/zinc/81/06/30/334810630.db2.gz FZBRBYDIWNLFIW-UWVGGRQHSA-N 2 0 254.334 -1.245 20 0 CAADRP CC(C)[NH2+]CC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000568267406 334810722 /nfs/dbraw/zinc/81/07/22/334810722.db2.gz FZBRBYDIWNLFIW-ZJUUUORDSA-N 2 0 254.334 -1.245 20 0 CAADRP [NH3+][C@@H]1C[C@@H]2CN(C(=O)N[C@@H]3[C@H]4C[NH2+]C[C@H]43)CCN2C1=O ZINC000568287619 334812600 /nfs/dbraw/zinc/81/26/00/334812600.db2.gz DYWZEKPSBDCCIC-NZFPMDFQSA-N 2 0 279.344 -1.842 20 0 CAADRP CC[NH2+]CCCNC(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000568880218 334845006 /nfs/dbraw/zinc/84/50/06/334845006.db2.gz XRIDIZLQRGTQEX-JTQLQIEISA-N 2 0 256.350 -1.030 20 0 CAADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N(C)[C@H]1CC[NH2+]C1 ZINC000573121769 334910510 /nfs/dbraw/zinc/91/05/10/334910510.db2.gz RGRONCLUIPLCNW-ONGXEEELSA-N 2 0 256.350 -1.094 20 0 CAADRP O=C(COC1C[NH2+]C1)NCC[N@@H+]1CCCOCC1 ZINC000576397442 335198676 /nfs/dbraw/zinc/19/86/76/335198676.db2.gz NLNTUALVUPYXNX-UHFFFAOYSA-N 2 0 257.334 -1.187 20 0 CAADRP C[C@]1(C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)CCC[NH2+]1 ZINC000576598479 335224987 /nfs/dbraw/zinc/22/49/87/335224987.db2.gz NVQMTIJDNLTKMW-GIPNMCIBSA-N 2 0 266.345 -1.101 20 0 CAADRP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000576599674 335225231 /nfs/dbraw/zinc/22/52/31/335225231.db2.gz LGDWDFSAZAEPQH-RHYQMDGZSA-N 2 0 295.387 -1.062 20 0 CAADRP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000576599673 335225316 /nfs/dbraw/zinc/22/53/16/335225316.db2.gz LGDWDFSAZAEPQH-KXNHARMFSA-N 2 0 295.387 -1.062 20 0 CAADRP O=C(C[C@@H]1C[NH2+]CCO1)Nc1nc(N2CC[NH2+]CC2)n[nH]1 ZINC000576753482 335243421 /nfs/dbraw/zinc/24/34/21/335243421.db2.gz JBHPTMNVIKVMTQ-SECBINFHSA-N 2 0 295.347 -1.469 20 0 CAADRP [NH3+]CCCC(=O)Nc1nc(N2CC[NH2+]CC2)n[nH]1 ZINC000580549525 335276702 /nfs/dbraw/zinc/27/67/02/335276702.db2.gz QMIUJFAAGQMVNX-UHFFFAOYSA-N 2 0 253.310 -1.108 20 0 CAADRP COC1(C(=O)N(C)CC(=O)N2CC[NH2+]CC2)CC[NH2+]CC1 ZINC000577062791 335293897 /nfs/dbraw/zinc/29/38/97/335293897.db2.gz QQJWFWKUTUCKEE-UHFFFAOYSA-N 2 0 298.387 -1.355 20 0 CAADRP O=C(COC1C[NH2+]C1)NCC(=O)N1CC[NH2+]CC1 ZINC000577220009 335325210 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CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000578131124 335511320 /nfs/dbraw/zinc/51/13/20/335511320.db2.gz DKSVPSIKRLUNLZ-QWRGUYRKSA-N 2 0 268.361 -1.078 20 0 CAADRP C[NH2+]C[C@H](C)CNC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000578454443 335637267 /nfs/dbraw/zinc/63/72/67/335637267.db2.gz ZHHONNRISCOPTN-DCAQKATOSA-N 2 0 283.376 -1.205 20 0 CAADRP [NH3+][C@H]1C[C@H]2CN(C(=O)C[NH2+]CC3CC3)CCN2C1=O ZINC000579006824 335699545 /nfs/dbraw/zinc/69/95/45/335699545.db2.gz SJPRHYZABBIWJH-QWRGUYRKSA-N 2 0 266.345 -1.244 20 0 CAADRP [NH3+][C@@H]1C[C@@H]2CN(C(=O)C[NH2+]CC3CC3)CCN2C1=O ZINC000579006822 335699730 /nfs/dbraw/zinc/69/97/30/335699730.db2.gz SJPRHYZABBIWJH-GHMZBOCLSA-N 2 0 266.345 -1.244 20 0 CAADRP [NH3+][C@@H]1C[C@@H]2CN(C(=O)[C@@H]3CCCC[NH2+]3)CCN2C1=O ZINC000579496264 335774663 /nfs/dbraw/zinc/77/46/63/335774663.db2.gz BFMFYJPCOKPPMY-MXWKQRLJSA-N 2 0 266.345 -1.101 20 0 CAADRP C[NH+](C)[C@H]1CN(C(=O)[C@@H]2C[N@@H+]3CCN2CCC3)C[C@@H]1O ZINC000581260552 336033831 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[NH3+]CCOCC(=O)NC[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000394382465 545498582 /nfs/dbraw/zinc/49/85/82/545498582.db2.gz RMCNFLOQLDYABO-LLVKDONJSA-N 2 0 256.350 -1.532 20 0 CAADRP O=C(C[C@@H]1COCC[NH2+]1)NC[C@H]1C[N@@H+]2CCN1CCC2 ZINC000394391812 545498664 /nfs/dbraw/zinc/49/86/64/545498664.db2.gz MBUNFQDMCVQUFD-OLZOCXBDSA-N 2 0 282.388 -1.129 20 0 CAADRP O=C(C[C@@H]1COCC[NH2+]1)NC[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000394391811 545498732 /nfs/dbraw/zinc/49/87/32/545498732.db2.gz MBUNFQDMCVQUFD-CHWSQXEVSA-N 2 0 282.388 -1.129 20 0 CAADRP O=C(NC[C@H]1C[N@@H+]2CCN1CCC2)[C@H]1C[NH2+]CCO1 ZINC000394388940 545498794 /nfs/dbraw/zinc/49/87/94/545498794.db2.gz NRHBYZPUXJONOH-NWDGAFQWSA-N 2 0 268.361 -1.519 20 0 CAADRP CC1(OCC(=O)N2CCOC3(C[NH2+]C3)C2)C[NH2+]C1 ZINC000663217978 545501151 /nfs/dbraw/zinc/50/11/51/545501151.db2.gz UZVBXUQYEWCXQJ-UHFFFAOYSA-N 2 0 255.318 -1.434 20 0 CAADRP O=C(CNC(=O)[C@H]1C[C@]12CCC[NH2+]C2)N1CC[NH2+]CC1 ZINC000655415477 545504928 /nfs/dbraw/zinc/50/49/28/545504928.db2.gz 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ZINC000627476002 545526532 /nfs/dbraw/zinc/52/65/32/545526532.db2.gz YEDAKIGTAUBQFA-QWRGUYRKSA-N 2 0 284.360 -1.699 20 0 CAADRP C[NH+](CCN1CC[NH2+]CC1)CCN1CC[NH2+]CC1 ZINC000137412421 545530947 /nfs/dbraw/zinc/53/09/47/545530947.db2.gz ANQIAEZDMLDXKI-UHFFFAOYSA-N 3 0 255.410 -1.271 20 0 CAADRP CNC(=O)N[C@@H]1CC[N@H+](CCC(=O)N2CC[NH2+]CC2)C1 ZINC000647988830 545533498 /nfs/dbraw/zinc/53/34/98/545533498.db2.gz UWLYWQYYOZREBM-LLVKDONJSA-N 2 0 283.376 -1.188 20 0 CAADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1C[C@H](C(N)=O)[C@H](C(N)=O)C1 ZINC000639843812 545541237 /nfs/dbraw/zinc/54/12/37/545541237.db2.gz GYORPHAOXAXZDT-MXWKQRLJSA-N 2 0 268.361 -1.011 20 0 CAADRP C[NH+](C)CCOCC[NH2+]C[C@H](O)CN1CCOCC1 ZINC000234250798 545542333 /nfs/dbraw/zinc/54/23/33/545542333.db2.gz JIHYUERJPLZNFT-ZDUSSCGKSA-N 2 0 275.393 -1.153 20 0 CAADRP 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 545544729 /nfs/dbraw/zinc/54/47/29/545544729.db2.gz GIPFGGUGLARQJQ-NDBYEHHHSA-N 2 0 292.383 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DXVBTWYNPQIFGH-RUETXSTFSA-N 2 0 266.345 -1.277 20 0 CAADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C1(O)C[NH2+]C1 ZINC000662710243 545578215 /nfs/dbraw/zinc/57/82/15/545578215.db2.gz GEVFMNZTVHPZGJ-SNVBAGLBSA-N 2 0 257.334 -1.452 20 0 CAADRP O=C(N1CC[NH+](C2CCOCC2)CC1)C1(O)C[NH2+]C1 ZINC000662742328 545579401 /nfs/dbraw/zinc/57/94/01/545579401.db2.gz PGISVEZCUBOITC-UHFFFAOYSA-N 2 0 269.345 -1.356 20 0 CAADRP CCO[C@@H](CC[NH+](C)C)CNC(=O)C1(O)C[NH2+]C1 ZINC000662749842 545579869 /nfs/dbraw/zinc/57/98/69/545579869.db2.gz MOONDNSKAOLVCS-JTQLQIEISA-N 2 0 259.350 -1.206 20 0 CAADRP CCO[C@H](CC[NH+](C)C)CNC(=O)C1(O)C[NH2+]C1 ZINC000662749843 545580199 /nfs/dbraw/zinc/58/01/99/545580199.db2.gz MOONDNSKAOLVCS-SNVBAGLBSA-N 2 0 259.350 -1.206 20 0 CAADRP O=C(N1CC[C@H](C[NH+]2CCOCC2)C1)C1(O)C[NH2+]C1 ZINC000662746827 545580297 /nfs/dbraw/zinc/58/02/97/545580297.db2.gz SLRRHKXKJRJMDC-LLVKDONJSA-N 2 0 269.345 -1.499 20 0 CAADRP O=C(CCOC1C[NH2+]C1)NC[C@H]1C[N@@H+]2CCN1CCC2 ZINC000662907879 545581236 /nfs/dbraw/zinc/58/12/36/545581236.db2.gz YDGRKFGINFMROW-LBPRGKRZSA-N 2 0 282.388 -1.129 20 0 CAADRP CN(CC[NH+](C)C)C(=O)C(=O)N1CC2CC1(C[NH3+])C2 ZINC000662923418 545581380 /nfs/dbraw/zinc/58/13/80/545581380.db2.gz ZYARJIOAUDUOQA-UHFFFAOYSA-N 2 0 268.361 -1.044 20 0 CAADRP [NH3+]C[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000662906785 545581612 /nfs/dbraw/zinc/58/16/12/545581612.db2.gz LPQLVUUYTSCLSQ-AGIUHOORSA-N 2 0 282.388 -1.144 20 0 CAADRP [NH3+]C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1C[N@@H+]2CCN1CCC2 ZINC000662906789 545581707 /nfs/dbraw/zinc/58/17/07/545581707.db2.gz LPQLVUUYTSCLSQ-XQQFMLRXSA-N 2 0 282.388 -1.144 20 0 CAADRP CNS(=O)(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000671674629 545583773 /nfs/dbraw/zinc/58/37/73/545583773.db2.gz PYICNJFENFPOPB-UHFFFAOYSA-N 2 0 252.384 -1.124 20 0 CAADRP CCN(C(=O)NCC(=O)N1CC[NH2+]CC1)[C@H]1CC[NH2+]C1 ZINC000891970442 582110614 /nfs/dbraw/zinc/11/06/14/582110614.db2.gz KEWUNRATEGZVBY-NSHDSACASA-N 2 0 283.376 -1.188 20 0 CAADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000891970192 582110643 /nfs/dbraw/zinc/11/06/43/582110643.db2.gz IUPHDLPETFHDKN-NXEZZACHSA-N 2 0 269.349 -1.451 20 0 CAADRP [NH3+][C@H]1C[C@@H](CNC(=O)NCCN2CC[NH2+]CC2)C1 ZINC000891973111 582110713 /nfs/dbraw/zinc/11/07/13/582110713.db2.gz PKNLNMQTCJFHDZ-PHIMTYICSA-N 2 0 255.366 -1.072 20 0 CAADRP O=C(CNC(=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21)N1CC[NH2+]CC1 ZINC000891971830 582110738 /nfs/dbraw/zinc/11/07/38/582110738.db2.gz YWMLFRCZXODNBC-RYUDHWBXSA-N 2 0 295.387 -1.046 20 0 CAADRP C[NH+]1CCC(C[NH+]2C[C@@H](C(N)=O)[C@H](C(N)=O)C2)CC1 ZINC000895435323 582115320 /nfs/dbraw/zinc/11/53/20/582115320.db2.gz ZQTAEDGLFZVSGK-GHMZBOCLSA-N 2 0 268.361 -1.153 20 0 CAADRP C[NH+]1CCC(C[NH+]2C[C@H](C(N)=O)[C@@H](C(N)=O)C2)CC1 ZINC000895435325 582115362 /nfs/dbraw/zinc/11/53/62/582115362.db2.gz ZQTAEDGLFZVSGK-QWRGUYRKSA-N 2 0 268.361 -1.153 20 0 CAADRP O=C(C1C[NH+]([C@H]2CCOC2)C1)N1CC(N2CC[C@@H](O)C2)C1 ZINC000898084778 582119194 /nfs/dbraw/zinc/11/91/94/582119194.db2.gz NKYDCCWTSSMDGU-GXTWGEPZSA-N 2 0 295.383 -1.016 20 0 CAADRP O=C(NCC[N@H+]1CC[C@@H](O)C1)C1C[NH+]([C@H]2CCOC2)C1 ZINC000899145521 582120330 /nfs/dbraw/zinc/12/03/30/582120330.db2.gz LORCZFAHLCUCPI-QWHCGFSZSA-N 2 0 283.372 -1.110 20 0 CAADRP O=C(NCC[N@H+]1CC[C@H](O)C1)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000899154114 582120476 /nfs/dbraw/zinc/12/04/76/582120476.db2.gz LORCZFAHLCUCPI-OLZOCXBDSA-N 2 0 283.372 -1.110 20 0 CAADRP C[N@H+](CCO)CCNC(=O)[C@H]1C[NH+]2CCN1CCC2 ZINC000899736775 582122390 /nfs/dbraw/zinc/12/23/90/582122390.db2.gz TZKAQDCEMRKJCY-GFCCVEGCSA-N 2 0 270.377 -1.583 20 0 CAADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)c1cn(CC[NH3+])nn1 ZINC000659306583 582123244 /nfs/dbraw/zinc/12/32/44/582123244.db2.gz DYLQPWUQVPLXPN-BDAKNGLRSA-N 2 0 252.322 -1.035 20 0 CAADRP O=C(CCOC1C[NH2+]C1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000646363855 582123582 /nfs/dbraw/zinc/12/35/82/582123582.db2.gz CMQJDPZWWSABTM-GFCCVEGCSA-N 2 0 282.388 -1.129 20 0 CAADRP COC(=O)C[C@H]([NH3+])C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000827936245 582193655 /nfs/dbraw/zinc/19/36/55/582193655.db2.gz HOEYZQFWZHQJKS-DCAQKATOSA-N 2 0 285.344 -1.144 20 0 CAADRP [NH3+][C@@H]1C[C@@H]1C(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000829764588 582197154 /nfs/dbraw/zinc/19/71/54/582197154.db2.gz PVALYXATVQZVRM-FRRDWIJNSA-N 2 0 282.388 -1.144 20 0 CAADRP O=C(NCCN1CC[NH2+]CC1)c1[nH]nc2c1C[NH2+]CC2 ZINC000832393711 582204377 /nfs/dbraw/zinc/20/43/77/582204377.db2.gz ZZNMUEUCPOYSIP-UHFFFAOYSA-N 2 0 278.360 -1.310 20 0 CAADRP O=C(CNC(=O)[C@]1(F)CC[NH2+]C1)N1CC[NH2+]CC1 ZINC000832410240 582204509 /nfs/dbraw/zinc/20/45/09/582204509.db2.gz SXDGIYBSHLIYES-NSHDSACASA-N 2 0 258.297 -1.764 20 0 CAADRP O=C(NC[C@@H]1C[NH2+]CCO1)c1[nH]nc2c1C[NH2+]CC2 ZINC000842511878 582212946 /nfs/dbraw/zinc/21/29/46/582212946.db2.gz ZPHJIWBYVAPFDY-QMMMGPOBSA-N 2 0 265.317 -1.226 20 0 CAADRP O=C(CO[C@@H]1CCC[NH2+]C1)NCCN1CC[NH2+]CC1 ZINC000843313379 582213709 /nfs/dbraw/zinc/21/37/09/582213709.db2.gz GPBDEQJXIHOKKL-GFCCVEGCSA-N 2 0 270.377 -1.224 20 0 CAADRP CC[NH2+]CC(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000843325433 582213781 /nfs/dbraw/zinc/21/37/81/582213781.db2.gz NVOONBXSQDVOOW-SNVBAGLBSA-N 2 0 256.350 -1.091 20 0 CAADRP CN1CCN(C(=O)CO[C@H]2CCC[NH2+]C2)[C@@H](C[NH3+])C1 ZINC000843356717 582213938 /nfs/dbraw/zinc/21/39/38/582213938.db2.gz WTPAAPKKYIFGOT-RYUDHWBXSA-N 2 0 270.377 -1.144 20 0 CAADRP [NH3+]C[C@H]1CN(C(=O)CO[C@@H]2CCC[NH2+]C2)CCO1 ZINC000843463116 582214606 /nfs/dbraw/zinc/21/46/06/582214606.db2.gz ZCWSDXDBVIEXPW-MNOVXSKESA-N 2 0 257.334 -1.059 20 0 CAADRP O=C(CO[C@H]1CCC[NH2+]C1)NC[C@@H]1C[NH2+]CCO1 ZINC000843497164 582215003 /nfs/dbraw/zinc/21/50/03/582215003.db2.gz FTBGFOZANAJDPE-QWRGUYRKSA-N 2 0 257.334 -1.140 20 0 CAADRP C[C@@H](C[NH3+])NC(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000848613514 582226816 /nfs/dbraw/zinc/22/68/16/582226816.db2.gz JUAXQPMTHOWCTK-LPEHRKFASA-N 2 0 270.333 -2.273 20 0 CAADRP C[N@@H+]1CC[C@@](O)(CNC(=[NH2+])NCCCN2CCOCC2)C1 ZINC000849019238 582227338 /nfs/dbraw/zinc/22/73/38/582227338.db2.gz VJJLXYBEJZIURK-CQSZACIVSA-N 2 0 299.419 -1.111 20 0 CAADRP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000851644091 582228894 /nfs/dbraw/zinc/22/88/94/582228894.db2.gz JZZURFOHPVRDNS-ZJUUUORDSA-N 2 0 256.350 -1.188 20 0 CAADRP C[NH2+]C[C@H](C)NC(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000851684553 582228960 /nfs/dbraw/zinc/22/89/60/582228960.db2.gz JAPXUUQGURTVKS-QJPTWQEYSA-N 2 0 298.387 -1.310 20 0 CAADRP O=C(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)C(=O)N[C@H]1CC[NH2+]C1 ZINC000851686001 582229165 /nfs/dbraw/zinc/22/91/65/582229165.db2.gz YIPVSKUINVKVRN-TUAOUCFPSA-N 2 0 296.371 -1.556 20 0 CAADRP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N(CC[NH3+])CCO)C1 ZINC000851692280 582229468 /nfs/dbraw/zinc/22/94/68/582229468.db2.gz XZOXBRGUBRQMRO-LLVKDONJSA-N 2 0 286.376 -1.634 20 0 CAADRP [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)C2=NO[C@H](C[NH3+])C2)C1 ZINC000852795590 582230594 /nfs/dbraw/zinc/23/05/94/582230594.db2.gz XVGFLDUKXRLIOA-ZJUUUORDSA-N 2 0 297.359 -1.597 20 0 CAADRP [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)C2=NO[C@H](C[NH3+])C2)C1 ZINC000852795587 582230601 /nfs/dbraw/zinc/23/06/01/582230601.db2.gz XVGFLDUKXRLIOA-UWVGGRQHSA-N 2 0 297.359 -1.597 20 0 CAADRP [NH3+]C[C@@H]1CC(C(=O)NCCCN2CC[NH2+]CC2)=NO1 ZINC000852789669 582230622 /nfs/dbraw/zinc/23/06/22/582230622.db2.gz KRSVOBYENCYTMB-JTQLQIEISA-N 2 0 269.349 -1.499 20 0 CAADRP C[C@H]([NH3+])[C@H]1CN(C(=O)C2=NO[C@H](C[NH3+])C2)CCO1 ZINC000852800941 582230836 /nfs/dbraw/zinc/23/08/36/582230836.db2.gz UVKDTHXHHXPXMB-OYNCUSHFSA-N 2 0 256.306 -1.335 20 0 CAADRP COCC[N@@H+]1CC[C@@H](NC(=O)C2=NO[C@@H](C[NH3+])C2)C1 ZINC000852867525 582231434 /nfs/dbraw/zinc/23/14/34/582231434.db2.gz XCBNDOJSCVXVPT-NXEZZACHSA-N 2 0 270.333 -1.073 20 0 CAADRP COCC[N@@H+]1CC[C@H](NC(=O)C2=NO[C@H](C[NH3+])C2)C1 ZINC000852867527 582231457 /nfs/dbraw/zinc/23/14/57/582231457.db2.gz XCBNDOJSCVXVPT-UWVGGRQHSA-N 2 0 270.333 -1.073 20 0 CAADRP O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)C1(O)C[NH2+]C1 ZINC000852863653 582231615 /nfs/dbraw/zinc/23/16/15/582231615.db2.gz HVKCWANUUIIPAC-VHSXEESVSA-N 2 0 255.318 -1.700 20 0 CAADRP COC[C@]1(CNC(=O)C2=NO[C@H](C[NH3+])C2)CCC[NH2+]1 ZINC000852879400 582231752 /nfs/dbraw/zinc/23/17/52/582231752.db2.gz DUGQJHMNCCPTJV-JOYOIKCWSA-N 2 0 270.333 -1.025 20 0 CAADRP [NH3+]C[C@H]1CC(C(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)=NO1 ZINC000852880243 582231789 /nfs/dbraw/zinc/23/17/89/582231789.db2.gz KZYGYPLQGDTJHJ-GHMZBOCLSA-N 2 0 281.360 -1.404 20 0 CAADRP [NH3+]C[C@H]1CC(C(=O)NCC[N@@H+]2CCCOCC2)=NO1 ZINC000852886587 582232007 /nfs/dbraw/zinc/23/20/07/582232007.db2.gz PXUIBMHKVQPWCP-SNVBAGLBSA-N 2 0 270.333 -1.072 20 0 CAADRP CCO[C@@H]1CN(C(=O)C2=NO[C@@H](C[NH3+])C2)C[C@H]1C[NH3+] ZINC000852896284 582232211 /nfs/dbraw/zinc/23/22/11/582232211.db2.gz XEHOOQCANATQEX-FXPVBKGRSA-N 2 0 270.333 -1.088 20 0 CAADRP COC(=O)N(C)CC[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC000853118206 582233054 /nfs/dbraw/zinc/23/30/54/582233054.db2.gz GSOWFFMFDZNBNE-LBPRGKRZSA-N 2 0 288.392 -1.118 20 0 CAADRP CCN(CC[NH3+])C(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000861755039 582244863 /nfs/dbraw/zinc/24/48/63/582244863.db2.gz LYWJHIUHNPYFHA-VXGBXAGGSA-N 2 0 298.387 -1.227 20 0 CAADRP C[C@H]([NH3+])CN(C)C(=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000861754775 582244875 /nfs/dbraw/zinc/24/48/75/582244875.db2.gz JOQFNVUESYFJML-TUAOUCFPSA-N 2 0 298.387 -1.229 20 0 CAADRP C[C@H]([NH3+])CN(C)C(=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000861754709 582244904 /nfs/dbraw/zinc/24/49/04/582244904.db2.gz JOQFNVUESYFJML-SRVKXCTJSA-N 2 0 298.387 -1.229 20 0 CAADRP COCC[N@H+](C)CCCNC(=O)C(=O)N(C)C[C@H](C)[NH3+] ZINC000861765852 582245003 /nfs/dbraw/zinc/24/50/03/582245003.db2.gz ICSKHGSKBFABFD-NSHDSACASA-N 2 0 288.392 -1.124 20 0 CAADRP O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000861756374 582245026 /nfs/dbraw/zinc/24/50/26/582245026.db2.gz YIPVSKUINVKVRN-GRYCIOLGSA-N 2 0 296.371 -1.556 20 0 CAADRP O=C(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000861756376 582245039 /nfs/dbraw/zinc/24/50/39/582245039.db2.gz YIPVSKUINVKVRN-UTUOFQBUSA-N 2 0 296.371 -1.556 20 0 CAADRP C[N@@H+]1C[C@H](O)C[C@]1(C)C(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC000864059916 582250687 /nfs/dbraw/zinc/25/06/87/582250687.db2.gz UDRFNWRAGDGYOI-FMCLSXCISA-N 2 0 283.372 -1.281 20 0 CAADRP C[N@@H+]1C[C@H](O)C[C@@]1(C)C(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC000864059919 582250780 /nfs/dbraw/zinc/25/07/80/582250780.db2.gz UDRFNWRAGDGYOI-SFTQSGBHSA-N 2 0 283.372 -1.281 20 0 CAADRP C[NH2+]C[C@@](C)(O)C[N@@H+]1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1 ZINC000866701654 582253972 /nfs/dbraw/zinc/25/39/72/582253972.db2.gz LVDNPESECWVCTP-VDDIYKPWSA-N 2 0 255.318 -1.497 20 0 CAADRP O=S(=O)(C[C@@H]1C[NH2+]CCO1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000866768086 582254086 /nfs/dbraw/zinc/25/40/86/582254086.db2.gz NLEZPBVGWKTCJY-VWYCJHECSA-N 2 0 275.374 -1.402 20 0 CAADRP CN(C1CC([NH3+])C1)S(=O)(=O)C[C@@H]1C[NH2+]CCO1 ZINC000866767103 582254121 /nfs/dbraw/zinc/25/41/21/582254121.db2.gz JPXHQDYWVQGADU-RTBKNWGFSA-N 2 0 263.363 -1.274 20 0 CAADRP [NH3+]C[C@H]1CCCN(S(=O)(=O)C[C@H]2C[NH2+]CCO2)C1 ZINC000866737758 582254176 /nfs/dbraw/zinc/25/41/76/582254176.db2.gz IFXCVJTYQYTFIA-GHMZBOCLSA-N 2 0 277.390 -1.025 20 0 CAADRP C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CC[NH2+]CC3)CC[C@H]21 ZINC000868385077 582256160 /nfs/dbraw/zinc/25/61/60/582256160.db2.gz JJZJLAOOMXYACI-VXGBXAGGSA-N 2 0 280.372 -1.029 20 0 CAADRP [NH3+][C@@H]1C[C@@H]1C(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000870997401 582257774 /nfs/dbraw/zinc/25/77/74/582257774.db2.gz NAOGRBIBOXBYSH-DAWVFNFOSA-N 2 0 280.328 -1.273 20 0 CAADRP C[C@]12C[NH2+]C[C@H]1CN(S(=O)(=O)C[C@@H]1C[NH2+]CCO1)C2 ZINC000871815851 582258628 /nfs/dbraw/zinc/25/86/28/582258628.db2.gz WIUIPDVEJVXYOV-SDDRHHMPSA-N 2 0 289.401 -1.154 20 0 CAADRP C[C@H]([NH2+]C[C@]12COCCN1C(=O)COC2)C1C[NH2+]C1 ZINC000873265812 582259760 /nfs/dbraw/zinc/25/97/60/582259760.db2.gz KFAYCQFVLZDEPY-GXFFZTMASA-N 2 0 269.345 -1.188 20 0 CAADRP [NH3+]C[C@@H]1[C@H](C(=O)NCCN2CC[NH2+]CC2)C1(F)F ZINC000876510800 582262451 /nfs/dbraw/zinc/26/24/51/582262451.db2.gz PYVNPHYJKBCXKN-RKDXNWHRSA-N 2 0 262.304 -1.152 20 0 CAADRP COC[C@]1(C(=O)N[C@@H]2CCC[NH2+]C2)C[NH2+]CCO1 ZINC000876507578 582262488 /nfs/dbraw/zinc/26/24/88/582262488.db2.gz KKMXYYGUKTYSDG-PWSUYJOCSA-N 2 0 257.334 -1.140 20 0 CAADRP COC[C@@]1(C(=O)N[C@H]2CCC[NH2+]C2)C[NH2+]CCO1 ZINC000876507576 582262490 /nfs/dbraw/zinc/26/24/90/582262490.db2.gz KKMXYYGUKTYSDG-CMPLNLGQSA-N 2 0 257.334 -1.140 20 0 CAADRP COC[C@]1(C(=O)NCCN2CC[NH2+]CC2)C[NH2+]CCO1 ZINC000876510565 582262494 /nfs/dbraw/zinc/26/24/94/582262494.db2.gz NSKWHPDFUMSARV-ZDUSSCGKSA-N 2 0 286.376 -1.987 20 0 CAADRP COC[C@@]1(C(=O)N(C)[C@@H]2CC[NH2+]C2)C[NH2+]CCO1 ZINC000876528437 582262540 /nfs/dbraw/zinc/26/25/40/582262540.db2.gz PESCSVFBHDTUFA-ZYHUDNBSSA-N 2 0 257.334 -1.188 20 0 CAADRP CN(CC(=O)N1CC[NH2+]CC1)C(=O)[C@@H](F)[C@H]1CC[NH2+]C1 ZINC000876511700 582262542 /nfs/dbraw/zinc/26/25/42/582262542.db2.gz SLOMBYZJPSJHJO-JQWIXIFHSA-N 2 0 286.351 -1.176 20 0 CAADRP CN1CCN(C(=O)[C@@H]2[C@H](C[NH3+])C2(F)F)[C@H](C[NH3+])C1 ZINC000876541583 582262559 /nfs/dbraw/zinc/26/25/59/582262559.db2.gz ATFFKUFPDULYHF-VGMNWLOBSA-N 2 0 262.304 -1.072 20 0 CAADRP COC[C@@]1(C(=O)N2CC[NH2+][C@@H](C)C2)C[NH2+]CCO1 ZINC000876531455 582262601 /nfs/dbraw/zinc/26/26/01/582262601.db2.gz GRNKIQUFMJBBCE-CMPLNLGQSA-N 2 0 257.334 -1.188 20 0 CAADRP CC1(C)[C@H]([NH3+])C[C@H]1C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000876512655 582262634 /nfs/dbraw/zinc/26/26/34/582262634.db2.gz VJQIHJHDNZHCBJ-VHSXEESVSA-N 2 0 268.361 -1.092 20 0 CAADRP COC[C@@]1(C(=O)NCC[NH2+]C2CC2)C[NH2+]CCO1 ZINC000876522074 582262643 /nfs/dbraw/zinc/26/26/43/582262643.db2.gz GZFGPNRNZDCGRT-GFCCVEGCSA-N 2 0 257.334 -1.140 20 0 CAADRP COC[C@]1(C(=O)NC[C@H]2CCC[NH2+]2)C[NH2+]CCO1 ZINC000876522567 582262664 /nfs/dbraw/zinc/26/26/64/582262664.db2.gz VRTYESJWGUSAQB-PWSUYJOCSA-N 2 0 257.334 -1.140 20 0 CAADRP COC[C@@]1(C(=O)NC[C@@H]2CCC[NH2+]2)C[NH2+]CCO1 ZINC000876522565 582262673 /nfs/dbraw/zinc/26/26/73/582262673.db2.gz VRTYESJWGUSAQB-CMPLNLGQSA-N 2 0 257.334 -1.140 20 0 CAADRP COC[C@]1(C(=O)N2CCO[C@@H]([C@@H](C)[NH3+])C2)C[NH2+]CCO1 ZINC000876544514 582262680 /nfs/dbraw/zinc/26/26/80/582262680.db2.gz VKTMRVUYTXMHCU-WZRBSPASSA-N 2 0 287.360 -1.434 20 0 CAADRP COC[C@]1(C(=O)N2CCO[C@H]([C@@H](C)[NH3+])C2)C[NH2+]CCO1 ZINC000876544512 582262713 /nfs/dbraw/zinc/26/27/13/582262713.db2.gz VKTMRVUYTXMHCU-MDZLAQPJSA-N 2 0 287.360 -1.434 20 0 CAADRP COC[C@]1(C(=O)N2CCO[C@H]([C@H](C)[NH3+])C2)C[NH2+]CCO1 ZINC000876544507 582262732 /nfs/dbraw/zinc/26/27/32/582262732.db2.gz VKTMRVUYTXMHCU-GVXVVHGQSA-N 2 0 287.360 -1.434 20 0 CAADRP COC[C@]1(C(=O)N2CCO[C@@H]([C@H](C)[NH3+])C2)C[NH2+]CCO1 ZINC000876544510 582262809 /nfs/dbraw/zinc/26/28/09/582262809.db2.gz VKTMRVUYTXMHCU-LOWVWBTDSA-N 2 0 287.360 -1.434 20 0 CAADRP COC[C@@]1(C(=O)NCC2([NH3+])CCC2)C[NH2+]CCO1 ZINC000876798156 582263037 /nfs/dbraw/zinc/26/30/37/582263037.db2.gz FIUZMMJULHLTAU-GFCCVEGCSA-N 2 0 257.334 -1.011 20 0 CAADRP COCC[NH2+]CCNC(=O)[C@@]1(COC)C[NH2+]CCO1 ZINC000876792839 582263188 /nfs/dbraw/zinc/26/31/88/582263188.db2.gz VWUMANQLRMEZKY-LBPRGKRZSA-N 2 0 275.349 -1.656 20 0 CAADRP C[NH+](C)C[C@H](N)C(=O)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000876753085 582263191 /nfs/dbraw/zinc/26/31/91/582263191.db2.gz IFKWVYZZDHSXST-AVGNSLFASA-N 2 0 284.404 -1.067 20 0 CAADRP COC[C@]1(C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)C[NH2+]CCO1 ZINC000876837536 582263269 /nfs/dbraw/zinc/26/32/69/582263269.db2.gz JPDFLZKVMYZMRV-LOWVWBTDSA-N 2 0 269.345 -1.331 20 0 CAADRP COC[C@@]1(C(=O)NC[C@@H]2C[C@H](F)C[NH2+]2)C[NH2+]CCO1 ZINC000876855842 582263446 /nfs/dbraw/zinc/26/34/46/582263446.db2.gz DJMAXKXSKIJMFT-JBLDHEPKSA-N 2 0 275.324 -1.192 20 0 CAADRP COC(=O)[C@H]1C[NH2+]CCCN1C(=O)[C@@H](N)C[NH+](C)C ZINC000876847384 582263462 /nfs/dbraw/zinc/26/34/62/582263462.db2.gz JDFNHJAWHXTLPH-VHSXEESVSA-N 2 0 272.349 -1.761 20 0 CAADRP C[NH+](C)C[C@H](N)C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000876850962 582263467 /nfs/dbraw/zinc/26/34/67/582263467.db2.gz GCTXKNVOEGCGOZ-NEPJUHHUSA-N 2 0 269.393 -1.619 20 0 CAADRP COC[C@]1(C(=O)NC[C@H]2C[NH2+]CCCO2)C[NH2+]CCO1 ZINC000876871816 582263566 /nfs/dbraw/zinc/26/35/66/582263566.db2.gz YMGMDIHDIGULAU-YPMHNXCESA-N 2 0 287.360 -1.514 20 0 CAADRP COC[C@]1(C(=O)NC[C@H]2C[NH2+]CCO2)C[NH2+]CCO1 ZINC000876917893 582263751 /nfs/dbraw/zinc/26/37/51/582263751.db2.gz XKUNDHSHNCEUKQ-PWSUYJOCSA-N 2 0 273.333 -1.904 20 0 CAADRP COC[C@@]1(C(=O)N2CCCO[C@H](C[NH3+])C2)C[NH2+]CCO1 ZINC000876917695 582263760 /nfs/dbraw/zinc/26/37/60/582263760.db2.gz BOIGSRLWUFGITN-DGCLKSJQSA-N 2 0 287.360 -1.432 20 0 CAADRP CCO[C@@H]1CN(C(=O)[C@@H](N)C[NH+](C)C)C[C@H]1C[NH3+] ZINC000876948995 582263793 /nfs/dbraw/zinc/26/37/93/582263793.db2.gz NLRHRNPYVLYKSQ-OUAUKWLOSA-N 2 0 258.366 -1.303 20 0 CAADRP COC[C@@]1(C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)C[NH2+]CCO1 ZINC000876979144 582263931 /nfs/dbraw/zinc/26/39/31/582263931.db2.gz VNTQNIOHNGDGNF-CKYFFXLPSA-N 2 0 275.324 -1.111 20 0 CAADRP COC[C@@]1(C(=O)N2CC3CC2(C[NH3+])C3)C[NH2+]CCO1 ZINC000876969393 582263963 /nfs/dbraw/zinc/26/39/63/582263963.db2.gz OOCAWRRUGOVPRJ-KGPNIALWSA-N 2 0 269.345 -1.059 20 0 CAADRP C[NH2+]CCOCCN(C)C(=O)[C@@]1(COC)C[NH2+]CCO1 ZINC000877030079 582263999 /nfs/dbraw/zinc/26/39/99/582263999.db2.gz XGHUELHMOXUAPA-ZDUSSCGKSA-N 2 0 289.376 -1.314 20 0 CAADRP C[NH2+]CCOCCN(C)C(=O)[C@]1(COC)C[NH2+]CCO1 ZINC000877030078 582264019 /nfs/dbraw/zinc/26/40/19/582264019.db2.gz XGHUELHMOXUAPA-CYBMUJFWSA-N 2 0 289.376 -1.314 20 0 CAADRP C[NH2+]CCOCCN(C)C(=O)C1=NO[C@@H](C[NH3+])C1 ZINC000877029446 582264049 /nfs/dbraw/zinc/26/40/49/582264049.db2.gz CTCXGDWKEXDNMA-SECBINFHSA-N 2 0 258.322 -1.216 20 0 CAADRP COC[C@@]1(C(=O)NC[C@@H]2COCC[NH2+]2)C[NH2+]CCO1 ZINC000877038704 582264052 /nfs/dbraw/zinc/26/40/52/582264052.db2.gz WLTMTTJIXHFMBM-ZYHUDNBSSA-N 2 0 273.333 -1.904 20 0 CAADRP COC[C@]1(C(=O)NC[C@H]2COCC[NH2+]2)C[NH2+]CCO1 ZINC000877038702 582264059 /nfs/dbraw/zinc/26/40/59/582264059.db2.gz WLTMTTJIXHFMBM-JQWIXIFHSA-N 2 0 273.333 -1.904 20 0 CAADRP COC[C@]1(C(=O)NCCOCCC[NH3+])C[NH2+]CCO1 ZINC000877053628 582264156 /nfs/dbraw/zinc/26/41/56/582264156.db2.gz UJXNNYRONVLLOR-LBPRGKRZSA-N 2 0 275.349 -1.527 20 0 CAADRP O=C(CO[C@@H]1CCC[NH2+]C1)NC[C@@H]1COCC[NH2+]1 ZINC000877042711 582264180 /nfs/dbraw/zinc/26/41/80/582264180.db2.gz VHJUAOSSGPHKBQ-GHMZBOCLSA-N 2 0 257.334 -1.140 20 0 CAADRP CC1(C)CC[C@H](CNC(=O)CNC(=O)C[NH3+])[NH2+]C1 ZINC000877153449 582264545 /nfs/dbraw/zinc/26/45/45/582264545.db2.gz VZDDSRNYFUJUIR-SECBINFHSA-N 2 0 256.350 -1.044 20 0 CAADRP COC[C@@]1(C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)C[NH2+]CCO1 ZINC000877168909 582264574 /nfs/dbraw/zinc/26/45/74/582264574.db2.gz YHNNKYFIDBYTHF-JBLDHEPKSA-N 2 0 255.318 -1.436 20 0 CAADRP C[C@]12C[NH2+]C[C@H]1CN(C(=O)CN1CC[NH2+]CC1)C2 ZINC000877371587 582265122 /nfs/dbraw/zinc/26/51/22/582265122.db2.gz SWCGBFNFDSAOSM-WCQYABFASA-N 2 0 252.362 -1.041 20 0 CAADRP [NH3+]CC(=O)NCC(=O)NC[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000877343950 582265161 /nfs/dbraw/zinc/26/51/61/582265161.db2.gz SGLWDQPALMNYIE-LBPRGKRZSA-N 2 0 276.340 -1.108 20 0 CAADRP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@@H]1CC[N@H+](CCn2cnnn2)C1 ZINC000883438791 582272259 /nfs/dbraw/zinc/27/22/59/582272259.db2.gz CJCSNKRPWCEONG-OUAUKWLOSA-N 2 0 293.331 -1.460 20 0 CAADRP [NH3+][C@H](CC1CC1)C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000884015944 582272731 /nfs/dbraw/zinc/27/27/31/582272731.db2.gz IMAMHFLTAUXBEP-SNVBAGLBSA-N 2 0 254.334 -1.338 20 0 CAADRP COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)[C@H](C[NH3+])OC ZINC000884286355 582274442 /nfs/dbraw/zinc/27/44/42/582274442.db2.gz BZZSLYNMQDJCJS-IUCAKERBSA-N 2 0 259.306 -1.676 20 0 CAADRP COCC[N@H+](C)CCNC(=O)C(=O)NCCC(C)(C)[NH3+] ZINC000884562796 582275375 /nfs/dbraw/zinc/27/53/75/582275375.db2.gz KZLRPCAZUQKFGL-UHFFFAOYSA-N 2 0 288.392 -1.076 20 0 CAADRP COCC[N@H+](C)CCNC(=O)C(=O)N1C[C@H]([NH3+])C[C@H]1C ZINC000884563033 582275451 /nfs/dbraw/zinc/27/54/51/582275451.db2.gz SDGVWKAXIABTAF-GHMZBOCLSA-N 2 0 286.376 -1.371 20 0 CAADRP COCC[N@H+](C)CCNC(=O)C(=O)N1C[C@H]([NH3+])C[C@@H]1C ZINC000884563036 582275536 /nfs/dbraw/zinc/27/55/36/582275536.db2.gz SDGVWKAXIABTAF-WDEREUQCSA-N 2 0 286.376 -1.371 20 0 CAADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2C[C@@H]([NH3+])C[C@H]2C)C1 ZINC000884642358 582275750 /nfs/dbraw/zinc/27/57/50/582275750.db2.gz HBRXXRRFCGEHRL-WOPDTQHZSA-N 2 0 298.387 -1.229 20 0 CAADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2C[C@H]([NH3+])C[C@@H]2C)C1 ZINC000884642356 582275778 /nfs/dbraw/zinc/27/57/78/582275778.db2.gz HBRXXRRFCGEHRL-TUAOUCFPSA-N 2 0 298.387 -1.229 20 0 CAADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)C1 ZINC000884643137 582275800 /nfs/dbraw/zinc/27/58/00/582275800.db2.gz YEALGQLIFDRGMF-SRVKXCTJSA-N 2 0 296.371 -1.604 20 0 CAADRP C[N@@H+]1CC[C@H]2CN(C(=O)C(=O)NCC[NH3+])CC[C@@H]21 ZINC000884673411 582275806 /nfs/dbraw/zinc/27/58/06/582275806.db2.gz WFSQRFLCVZLXIW-UWVGGRQHSA-N 2 0 254.334 -1.386 20 0 CAADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CCC[C@@H]2C[NH3+])C1 ZINC000884642536 582275811 /nfs/dbraw/zinc/27/58/11/582275811.db2.gz LMDLWYKVKGKCGZ-VXGBXAGGSA-N 2 0 298.387 -1.227 20 0 CAADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2C[C@@H]([NH3+])C[C@@H]2C)C1 ZINC000884642355 582275829 /nfs/dbraw/zinc/27/58/29/582275829.db2.gz HBRXXRRFCGEHRL-SRVKXCTJSA-N 2 0 298.387 -1.229 20 0 CAADRP C[NH2+]CCNC(=O)C(=O)N1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000884686511 582276063 /nfs/dbraw/zinc/27/60/63/582276063.db2.gz MKJBYYWLOJXQPI-MNOVXSKESA-N 2 0 268.361 -1.125 20 0 CAADRP C[N@@H+]1CC[C@H]2CN(C(=O)C(=O)NC3C[NH2+]C3)CC[C@H]21 ZINC000884693197 582276269 /nfs/dbraw/zinc/27/62/69/582276269.db2.gz QADVWOOBMMWUMR-GXSJLCMTSA-N 2 0 266.345 -1.373 20 0 CAADRP CCN([C@@H]1CC[NH2+]C1)S(=O)(=O)C[C@H]1C[NH2+]CCO1 ZINC000886893332 582279346 /nfs/dbraw/zinc/27/93/46/582279346.db2.gz PPWXEGIKZGYIES-GHMZBOCLSA-N 2 0 277.390 -1.012 20 0 CAADRP CN(CC[NH+](C)C)C(=O)C(=O)N1CCC[C@@H]1C[NH3+] ZINC000887084872 582280741 /nfs/dbraw/zinc/28/07/41/582280741.db2.gz QUZUUQFJOVSTCX-SNVBAGLBSA-N 2 0 256.350 -1.044 20 0 CAADRP CCN1CCO[C@@H](C(=O)N[C@@H]2[C@H]3CN(CC(N)=O)C[C@H]32)C1 ZINC000962663616 615172127 /nfs/dbraw/zinc/17/21/27/615172127.db2.gz IGKMRCOKWHWAEC-XZUYRWCXSA-N 2 0 296.371 -1.761 20 0 CAADRP C[NH+]1CCC(C(=O)NC[C@H]2C[N@H+](CCO)C[C@@H]2O)CC1 ZINC000958375789 616167091 /nfs/dbraw/zinc/16/70/91/616167091.db2.gz WCFMDILIOXPMIS-STQMWFEESA-N 2 0 285.388 -1.271 20 0 CAADRP C[NH+]1CCC(C(=O)NC[C@@H]2C[N@H+](CCO)C[C@@H]2O)CC1 ZINC000958375787 616167168 /nfs/dbraw/zinc/16/71/68/616167168.db2.gz WCFMDILIOXPMIS-OLZOCXBDSA-N 2 0 285.388 -1.271 20 0 CAADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]CC(N)=O)C1 ZINC000967926472 616192333 /nfs/dbraw/zinc/19/23/33/616192333.db2.gz VYJMWHGLYXRPCE-NXEZZACHSA-N 2 0 254.334 -1.244 20 0 CAADRP C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CC(N)=O)C1 ZINC000967926477 616209948 /nfs/dbraw/zinc/20/99/48/616209948.db2.gz VYJMWHGLYXRPCE-ZJUUUORDSA-N 2 0 254.334 -1.244 20 0 CAADRP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2[C@H]3CN(CC(N)=O)C[C@H]32)C1 ZINC000962551225 616267852 /nfs/dbraw/zinc/26/78/52/616267852.db2.gz HRCNGYUNKIPSCY-SVDPJWKOSA-N 2 0 266.345 -1.530 20 0 CAADRP CNC(=O)CN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[N@@H+]1C ZINC000958377667 616645030 /nfs/dbraw/zinc/64/50/30/616645030.db2.gz HLLNMFOJNUNVPB-XZUYRWCXSA-N 2 0 280.372 -1.127 20 0 CAADRP C[N@H+](CCNS(=O)(=O)N1CC[NH2+]CC1)C1CC1 ZINC000062010767 656320890 /nfs/dbraw/zinc/32/08/90/656320890.db2.gz PKMRMWFVGZLAOV-UHFFFAOYSA-N 2 0 262.379 -1.180 20 0 CAADRP C[C@H]1[NH2+]CCC[C@@H]1NS(=O)(=O)N1CC[NH2+]CC1 ZINC000923639342 656811274 /nfs/dbraw/zinc/81/12/74/656811274.db2.gz LGYIOPPQTNMBJK-ZJUUUORDSA-N 2 0 262.379 -1.134 20 0 CAADRP Cc1cncn1CC(=O)N1CC[C@@H]([NH2+]CC(N)=O)C1 ZINC000969356733 655997890 /nfs/dbraw/zinc/99/78/90/655997890.db2.gz LUXKKLIJQMKGIC-SNVBAGLBSA-N 2 0 265.317 -1.133 20 0 CAADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC(N)=O)C1 ZINC001020592878 656005274 /nfs/dbraw/zinc/00/52/74/656005274.db2.gz QYHWEIDRXYDZRG-DBIOUOCHSA-N 2 0 268.361 -1.094 20 0 CAADRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC(N)=O)C1 ZINC001020592880 656005737 /nfs/dbraw/zinc/00/57/37/656005737.db2.gz QYHWEIDRXYDZRG-NAKRPEOUSA-N 2 0 268.361 -1.094 20 0 CAADRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC(N)=O)C1 ZINC001021896975 656023534 /nfs/dbraw/zinc/02/35/34/656023534.db2.gz AXGLCWRHICNIRX-KXUCPTDWSA-N 2 0 254.334 -1.197 20 0 CAADRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC(N)=O)C1 ZINC001022720504 656033389 /nfs/dbraw/zinc/03/33/89/656033389.db2.gz QYHWEIDRXYDZRG-MMWGEVLESA-N 2 0 268.361 -1.094 20 0 CAADRP C[N@@H+]1CC[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]CC(N)=O)C2)C1 ZINC001023084062 656042296 /nfs/dbraw/zinc/04/22/96/656042296.db2.gz HSLUGFSWYJQISJ-BBBLOLIVSA-N 2 0 254.334 -1.340 20 0 CAADRP 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 656068169 /nfs/dbraw/zinc/06/81/69/656068169.db2.gz BREQHONJPUEZCG-PDWCTOEPSA-N 2 0 295.383 -1.112 20 0 CAADRP C[N@@H+]1CC[C@H](C(=O)N2CC[C@H]([NH2+]CC(N)=O)C2)C1 ZINC001019772993 656068556 /nfs/dbraw/zinc/06/85/56/656068556.db2.gz ZBISBSSVBYUPKD-UWVGGRQHSA-N 2 0 254.334 -1.386 20 0 CAADRP 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 656070882 /nfs/dbraw/zinc/07/08/82/656070882.db2.gz WWXAUMLTABYLBF-YFVNTRNASA-N 2 0 280.372 -1.284 20 0 CAADRP 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 656072095 /nfs/dbraw/zinc/07/20/95/656072095.db2.gz YEVDKETVKFFRSQ-LBELIVKGSA-N 2 0 292.383 -1.127 20 0 CAADRP CN1CCN(C(=O)CN[C@@H]2C[NH2+]CCOC2)CC1 ZINC000925615682 656075941 /nfs/dbraw/zinc/07/59/41/656075941.db2.gz HRVZDNNULOPXPT-LLVKDONJSA-N 2 0 256.350 -1.662 20 0 CAADRP C[C@]1(NC(=O)CNC(=O)[C@H]2CCC[NH2+]2)CC[NH2+]C1 ZINC000663009217 656089307 /nfs/dbraw/zinc/08/93/07/656089307.db2.gz BFAOVBODXHFYEK-SKDRFNHKSA-N 2 0 254.334 -1.277 20 0 CAADRP CN1CC[N@H+](C)CC(C(=O)NCC[NH+](C)CCO)C1 ZINC000924998013 656122239 /nfs/dbraw/zinc/12/22/39/656122239.db2.gz GYWUUKPDAHVBLM-UHFFFAOYSA-N 2 0 272.393 -1.480 20 0 CAADRP C[N@H+](CCO)CCNC(=O)[C@@]1(C)C[C@@H](O)C[NH+]1C ZINC000925004309 656123295 /nfs/dbraw/zinc/12/32/95/656123295.db2.gz VZFIHTAKKJYDJN-ZYHUDNBSSA-N 2 0 259.350 -1.518 20 0 CAADRP CN1CCO[C@@H](C(=O)N[C@H]2CCC[N@H+](CCO)C2)C1 ZINC001007005916 656129922 /nfs/dbraw/zinc/12/99/22/656129922.db2.gz AAOLDGBCNLXSNY-NWDGAFQWSA-N 2 0 271.361 -1.110 20 0 CAADRP CN1CCO[C@@H](C(=O)N2CCC([NH2+]CC(N)=O)CC2)C1 ZINC000990572191 656162313 /nfs/dbraw/zinc/16/23/13/656162313.db2.gz ZHUGPNAHQHEIOY-LLVKDONJSA-N 2 0 284.360 -1.617 20 0 CAADRP C[C@@H]([NH2+]C1CCN(C(=O)[C@H]2CN(C)CCO2)CC1)C(N)=O ZINC000990571537 656162500 /nfs/dbraw/zinc/16/25/00/656162500.db2.gz UQMWLKHBBSKRAT-ZYHUDNBSSA-N 2 0 298.387 -1.229 20 0 CAADRP [NH3+]C[C@@]12CC[C@@H]1CCN2S(=O)(=O)N1CC[NH2+]CC1 ZINC000903584523 656185090 /nfs/dbraw/zinc/18/50/90/656185090.db2.gz KIOUQZQVZWHSBI-MNOVXSKESA-N 2 0 274.390 -1.050 20 0 CAADRP [NH3+][C@H]1C[C@H]2C[C@@H](C1)N(S(=O)(=O)N1CC[NH2+]CC1)C2 ZINC000903580418 656185141 /nfs/dbraw/zinc/18/51/41/656185141.db2.gz XJPRJNMDESHUGM-DCAQKATOSA-N 2 0 274.390 -1.052 20 0 CAADRP CN(C1(C[NH3+])CCOCC1)S(=O)(=O)C1C[NH2+]C1 ZINC000903538031 656185365 /nfs/dbraw/zinc/18/53/65/656185365.db2.gz LGPKBCJYVYCODG-UHFFFAOYSA-N 2 0 263.363 -1.272 20 0 CAADRP CC1(C)CN(S(=O)(=O)C[C@@H]2C[NH2+]CCO2)C[C@@H]1[NH3+] ZINC000903587396 656185642 /nfs/dbraw/zinc/18/56/42/656185642.db2.gz UQWWLTLRGCNISG-UWVGGRQHSA-N 2 0 277.390 -1.026 20 0 CAADRP CC1(C)CN(S(=O)(=O)C[C@H]2C[NH2+]CCO2)C[C@@H]1[NH3+] ZINC000903587398 656185797 /nfs/dbraw/zinc/18/57/97/656185797.db2.gz UQWWLTLRGCNISG-ZJUUUORDSA-N 2 0 277.390 -1.026 20 0 CAADRP O=S(=O)(N[C@]12CCC[C@H]1C[NH2+]C2)N1CC[NH2+]CC1 ZINC000903609489 656185837 /nfs/dbraw/zinc/18/58/37/656185837.db2.gz HHVHTUBEUSMYBX-QWRGUYRKSA-N 2 0 274.390 -1.132 20 0 CAADRP [NH3+]CCN(C[C@H](O)CO)C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903768146 656186105 /nfs/dbraw/zinc/18/61/05/656186105.db2.gz KRQSRWJXPFWPEV-YNEHKIRRSA-N 2 0 273.377 -1.631 20 0 CAADRP [NH3+]CCN(C[C@H](O)CO)C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903768143 656186567 /nfs/dbraw/zinc/18/65/67/656186567.db2.gz KRQSRWJXPFWPEV-AVGNSLFASA-N 2 0 273.377 -1.631 20 0 CAADRP C[C@](Cn1cccn1)([NH2+]CCN1CC[NH2+]CC1)C(N)=O ZINC000903829868 656186847 /nfs/dbraw/zinc/18/68/47/656186847.db2.gz MXTAFMBBPCGQFC-CYBMUJFWSA-N 2 0 280.376 -1.378 20 0 CAADRP C[NH2+]C[C@@](C)(O)C[N@@H+]1C[C@@H](C)[C@H](CS(N)(=O)=O)C1 ZINC000903826293 656187050 /nfs/dbraw/zinc/18/70/50/656187050.db2.gz HLSYVQAUFBZYDZ-OUAUKWLOSA-N 2 0 279.406 -1.187 20 0 CAADRP COCC[N@H+](C)C[C@@H](O)CN1CC[NH2+]C[C@H]1COC ZINC000903881442 656187584 /nfs/dbraw/zinc/18/75/84/656187584.db2.gz DSOBAOXAZVGWIU-QWHCGFSZSA-N 2 0 275.393 -1.154 20 0 CAADRP [NH3+][C@H]1C[C@@H](C[N@@H+]2CCN3C(=O)C(=O)NC[C@H]3C2)C1 ZINC000904328396 656187669 /nfs/dbraw/zinc/18/76/69/656187669.db2.gz OIFGPIBYFINEKZ-AEJSXWLSSA-N 2 0 252.318 -1.634 20 0 CAADRP COCC[N@H+](C)C[C@@H](O)CN1CC[NH2+]C[C@@H]1COC ZINC000903881440 656188023 /nfs/dbraw/zinc/18/80/23/656188023.db2.gz DSOBAOXAZVGWIU-CHWSQXEVSA-N 2 0 275.393 -1.154 20 0 CAADRP C[N@@H+]1C[C@@H]2CN(C(=O)C(=O)N3CC[C@H]([NH3+])C3)C[C@]2(C)C1 ZINC000904958006 656188227 /nfs/dbraw/zinc/18/82/27/656188227.db2.gz CRPDDPWLOQKDID-SUNKGSAMSA-N 2 0 280.372 -1.044 20 0 CAADRP CN(CC[NH3+])C(=O)C(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000904991951 656189179 /nfs/dbraw/zinc/18/91/79/656189179.db2.gz ZOZYSESCRNNGDJ-RYUDHWBXSA-N 2 0 298.387 -1.539 20 0 CAADRP COC[C@H]1C[NH2+]CCN1C(=O)C(=O)N(C)CC[NH+](C)C ZINC000905017717 656189381 /nfs/dbraw/zinc/18/93/81/656189381.db2.gz VJZIIEOWCJUOGR-LLVKDONJSA-N 2 0 286.376 -1.547 20 0 CAADRP CN(CC[NH3+])C(=O)C(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC000904991950 656189510 /nfs/dbraw/zinc/18/95/10/656189510.db2.gz ZOZYSESCRNNGDJ-NWDGAFQWSA-N 2 0 298.387 -1.539 20 0 CAADRP O=S(=O)(CC1CC[NH2+]CC1)NCCN1CC[NH2+]CC1 ZINC000905329728 656190572 /nfs/dbraw/zinc/19/05/72/656190572.db2.gz MTOTXHFIBWJUAE-UHFFFAOYSA-N 2 0 290.433 -1.189 20 0 CAADRP CN1CCN(S(=O)(=O)CC2CC[NH2+]CC2)[C@H](C[NH3+])C1 ZINC000905331564 656190936 /nfs/dbraw/zinc/19/09/36/656190936.db2.gz ZRCBMHLAKHIDTN-GFCCVEGCSA-N 2 0 290.433 -1.110 20 0 CAADRP O=S(=O)(CC1CC[NH2+]CC1)NC[C@H]1C[NH2+]CCO1 ZINC000905342599 656190963 /nfs/dbraw/zinc/19/09/63/656190963.db2.gz CLXRRVSAVYPMDD-LLVKDONJSA-N 2 0 277.390 -1.106 20 0 CAADRP CC[N@H+](CCO)CCNC(=O)[C@]1(C)C[C@H](O)C[NH+]1C ZINC000907440574 656198093 /nfs/dbraw/zinc/19/80/93/656198093.db2.gz MGQBNXWDXGCHHI-AAEUAGOBSA-N 2 0 273.377 -1.128 20 0 CAADRP C[NH+](C)C[C@H](CO)NC(=O)C[C@@]1(O)CCC[N@H+](C)C1 ZINC000908201076 656210667 /nfs/dbraw/zinc/21/06/67/656210667.db2.gz NTZFMKVFXKKFIA-YPMHNXCESA-N 2 0 273.377 -1.128 20 0 CAADRP C[NH+](C)C[C@H](CO)NC(=O)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000908200442 656210784 /nfs/dbraw/zinc/21/07/84/656210784.db2.gz KAXHONKYKUZGEL-VXGBXAGGSA-N 2 0 271.361 -1.254 20 0 CAADRP C[NH+](C)C[C@@H](CO)NC(=O)C[C@]1(O)CCC[N@H+](C)C1 ZINC000908201075 656210850 /nfs/dbraw/zinc/21/08/50/656210850.db2.gz NTZFMKVFXKKFIA-WCQYABFASA-N 2 0 273.377 -1.128 20 0 CAADRP C[N@H+](CCNC(=O)C(=O)NCC1([NH3+])CC1)C1CC1 ZINC000911052100 656232676 /nfs/dbraw/zinc/23/26/76/656232676.db2.gz BBNMYGIUUTVQTL-UHFFFAOYSA-N 2 0 254.334 -1.196 20 0 CAADRP C[N@H+](CCNC(=O)C(=O)N1CCC[C@]([NH3+])(CO)C1)C1CC1 ZINC000911054344 656232908 /nfs/dbraw/zinc/23/29/08/656232908.db2.gz VMIPJPQZRNLNCN-CQSZACIVSA-N 2 0 298.387 -1.491 20 0 CAADRP COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCC[N@H+](C)C1CC1 ZINC000911060332 656233470 /nfs/dbraw/zinc/23/34/70/656233470.db2.gz LANCQFLVJMEZIX-LBPRGKRZSA-N 2 0 298.387 -1.356 20 0 CAADRP [NH3+]C1(CNC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000911073177 656233521 /nfs/dbraw/zinc/23/35/21/656233521.db2.gz QQWMZPGLTMDMRV-VIFPVBQESA-N 2 0 266.345 -1.053 20 0 CAADRP [NH3+]C1(CNC(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC000911147836 656234739 /nfs/dbraw/zinc/23/47/39/656234739.db2.gz KKGMMMGMXZCPCE-MNOVXSKESA-N 2 0 296.371 -1.427 20 0 CAADRP [NH3+]C1(CNC(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC000911147835 656235039 /nfs/dbraw/zinc/23/50/39/656235039.db2.gz KKGMMMGMXZCPCE-GHMZBOCLSA-N 2 0 296.371 -1.427 20 0 CAADRP COCC[N@H+](C)CCNC(=O)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000911155348 656235935 /nfs/dbraw/zinc/23/59/35/656235935.db2.gz JEQSEQFFQLLFLD-NSHDSACASA-N 2 0 286.376 -1.370 20 0 CAADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)NCC1([NH3+])CC1 ZINC000911194207 656236633 /nfs/dbraw/zinc/23/66/33/656236633.db2.gz NDMRBOOBNFPDQM-NSHDSACASA-N 2 0 298.387 -1.179 20 0 CAADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000911236444 656237749 /nfs/dbraw/zinc/23/77/49/656237749.db2.gz QYRYSJZRFAKMES-GRYCIOLGSA-N 2 0 298.387 -1.453 20 0 CAADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)NCC2([NH3+])CC2)C1 ZINC000911239073 656238130 /nfs/dbraw/zinc/23/81/30/656238130.db2.gz ADUUXYMHPNGSNZ-JTQLQIEISA-N 2 0 284.360 -1.569 20 0 CAADRP CCO[C@@H](CNC(=O)C(=O)NCC[NH3+])C[NH+](C)C ZINC000911270598 656238891 /nfs/dbraw/zinc/23/88/91/656238891.db2.gz ZLTLXYLMDZBNDM-VIFPVBQESA-N 2 0 260.338 -1.856 20 0 CAADRP CCO[C@H](CNC(=O)C(=O)NCC[NH2+]C)C[NH+](C)C ZINC000911280463 656239646 /nfs/dbraw/zinc/23/96/46/656239646.db2.gz KASHEPPQXZOULX-SNVBAGLBSA-N 2 0 274.365 -1.595 20 0 CAADRP CCO[C@@H](CNC(=O)C(=O)N[C@H]1CC[NH2+]C1)C[NH+](C)C ZINC000911275849 656239666 /nfs/dbraw/zinc/23/96/66/656239666.db2.gz ZOIWHPYUGLOSBZ-QWRGUYRKSA-N 2 0 286.376 -1.453 20 0 CAADRP C[N@@H+]1C[C@@H]2CN(C(=O)C(=O)NCCC[NH3+])C[C@]2(C)C1 ZINC000911266824 656240204 /nfs/dbraw/zinc/24/02/04/656240204.db2.gz LPQQNDCUIUKJEB-MFKMUULPSA-N 2 0 268.361 -1.139 20 0 CAADRP C[C@@H](C[NH3+])NC(=O)C(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC000911299042 656240274 /nfs/dbraw/zinc/24/02/74/656240274.db2.gz YZHQAGKMWNSFQB-SDDRHHMPSA-N 2 0 298.387 -1.493 20 0 CAADRP CCO[C@H](CNC(=O)C(=O)N[C@@H](C)C[NH3+])C[NH+](C)C ZINC000911299102 656240577 /nfs/dbraw/zinc/24/05/77/656240577.db2.gz ZDYWBYYAUIDPCP-VHSXEESVSA-N 2 0 274.365 -1.467 20 0 CAADRP CCO[C@@H](CNC(=O)C(=O)NCC(C)(C)[NH3+])C[NH+](C)C ZINC000911299494 656240639 /nfs/dbraw/zinc/24/06/39/656240639.db2.gz YOTOODYJKPWGDN-JTQLQIEISA-N 2 0 288.392 -1.077 20 0 CAADRP CCO[C@@H](CNC(=O)C(=O)NCCC[NH3+])C[NH+](C)C ZINC000911266747 656240688 /nfs/dbraw/zinc/24/06/88/656240688.db2.gz JXBOGSINJGRGSS-JTQLQIEISA-N 2 0 274.365 -1.466 20 0 CAADRP C[NH2+]CCNC(=O)C(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC000911281746 656241036 /nfs/dbraw/zinc/24/10/36/656241036.db2.gz IIJZOTJRWDDESN-NWDGAFQWSA-N 2 0 298.387 -1.620 20 0 CAADRP C[NH2+]CCNC(=O)C(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000911281698 656241117 /nfs/dbraw/zinc/24/11/17/656241117.db2.gz IIJZOTJRWDDESN-NEPJUHHUSA-N 2 0 298.387 -1.620 20 0 CAADRP CCO[C@H](CNC(=O)C(=O)NC1C[NH2+]C1)C[NH+](C)C ZINC000911288749 656241598 /nfs/dbraw/zinc/24/15/98/656241598.db2.gz VWSGRZCHRLDEDZ-SNVBAGLBSA-N 2 0 272.349 -1.843 20 0 CAADRP C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)N(C)CC[NH+](C)C ZINC000911374601 656242951 /nfs/dbraw/zinc/24/29/51/656242951.db2.gz UAHVCBQGWIGPDS-NXEZZACHSA-N 2 0 256.350 -1.270 20 0 CAADRP CCO[C@@H](CNC(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)C[NH+](C)C ZINC000911434278 656243424 /nfs/dbraw/zinc/24/34/24/656243424.db2.gz HIOLTMGHQSVVOC-SRVKXCTJSA-N 2 0 298.387 -1.358 20 0 CAADRP CCO[C@@H](CNC(=O)C(=O)N(C)CC[NH3+])C[NH+](C)C ZINC000911434954 656243430 /nfs/dbraw/zinc/24/34/30/656243430.db2.gz KSSSZLYHMAULKW-JTQLQIEISA-N 2 0 274.365 -1.514 20 0 CAADRP CCO[C@H](CNC(=O)C(=O)N(C)C[C@H](C)[NH3+])C[NH+](C)C ZINC000911434388 656243444 /nfs/dbraw/zinc/24/34/44/656243444.db2.gz HQXIZODMCYATLD-WDEREUQCSA-N 2 0 288.392 -1.125 20 0 CAADRP CCO[C@H](CNC(=O)C(=O)N(C)CC[NH3+])C[NH+](C)C ZINC000911434955 656243679 /nfs/dbraw/zinc/24/36/79/656243679.db2.gz KSSSZLYHMAULKW-SNVBAGLBSA-N 2 0 274.365 -1.514 20 0 CAADRP CCO[C@@H](CNC(=O)C(=O)N(C)[C@@H](C)C[NH3+])C[NH+](C)C ZINC000911435852 656243864 /nfs/dbraw/zinc/24/38/64/656243864.db2.gz QGOSQUOGHQDWGO-QWRGUYRKSA-N 2 0 288.392 -1.125 20 0 CAADRP CCO[C@H](CNC(=O)C(=O)N(C)[C@H](C)C[NH3+])C[NH+](C)C ZINC000911435850 656244033 /nfs/dbraw/zinc/24/40/33/656244033.db2.gz QGOSQUOGHQDWGO-GHMZBOCLSA-N 2 0 288.392 -1.125 20 0 CAADRP CCO[C@H](CNC(=O)C(=O)N1CC[NH2+]CC1)C[NH+](C)C ZINC000911437161 656244076 /nfs/dbraw/zinc/24/40/76/656244076.db2.gz ZAICUPQOOQETMD-LLVKDONJSA-N 2 0 286.376 -1.499 20 0 CAADRP CCO[C@H](CNC(=O)C(=O)NCC1([NH3+])CC1)C[NH+](C)C ZINC000911436250 656244104 /nfs/dbraw/zinc/24/41/04/656244104.db2.gz SKPKFJNJYQDOMS-SNVBAGLBSA-N 2 0 286.376 -1.323 20 0 CAADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NCC1([NH3+])CC1 ZINC000911503940 656248999 /nfs/dbraw/zinc/24/89/99/656248999.db2.gz RATNDXRLTSLSCK-UHFFFAOYSA-N 3 0 299.419 -1.454 20 0 CAADRP CN1CC[NH2+]C[C@H]1C(=O)NCCCN1CC[NH2+]CC1 ZINC000911629568 656251650 /nfs/dbraw/zinc/25/16/50/656251650.db2.gz XAJZIBDBSUMOJM-LBPRGKRZSA-N 2 0 269.393 -1.699 20 0 CAADRP CC(C)[C@@H]([NH3+])C(=O)NCCC(=O)N1CC[NH2+]CC1 ZINC000911648468 656251695 /nfs/dbraw/zinc/25/16/95/656251695.db2.gz KKAJQVCPJUQYRF-LLVKDONJSA-N 2 0 256.350 -1.092 20 0 CAADRP O=C(C[C@]1(O)CCC[NH2+]C1)NCCCN1CC[NH2+]CC1 ZINC000911628068 656251987 /nfs/dbraw/zinc/25/19/87/656251987.db2.gz HOJIMWKAESLGRB-CQSZACIVSA-N 2 0 284.404 -1.098 20 0 CAADRP CC(C)[C@H]([NH3+])C(=O)NCCC(=O)N[C@@H]1CC[NH2+]C1 ZINC000911696939 656252195 /nfs/dbraw/zinc/25/21/95/656252195.db2.gz YBPHZUQTDVJFRN-KOLCDFICSA-N 2 0 256.350 -1.046 20 0 CAADRP O=C(NCCN1CC[NH2+]CC1)[C@H]1[C@@H]2CC[NH2+]C[C@@H]21 ZINC000911696230 656252397 /nfs/dbraw/zinc/25/23/97/656252397.db2.gz TUCLSHQHYSDQGG-WOPDTQHZSA-N 2 0 252.362 -1.137 20 0 CAADRP C[NH2+]CCCNC(=O)[C@H]1CCCN(CC[NH3+])C1=O ZINC000911677335 656252419 /nfs/dbraw/zinc/25/24/19/656252419.db2.gz PICDZVIUGYTALH-SNVBAGLBSA-N 2 0 256.350 -1.091 20 0 CAADRP CN1CC[NH2+]C[C@@H]1C(=O)NCCN1CC[NH2+]CC1 ZINC000911694759 656252428 /nfs/dbraw/zinc/25/24/28/656252428.db2.gz CQZFLOSZEHJHCO-LLVKDONJSA-N 2 0 255.366 -2.089 20 0 CAADRP [NH3+][C@@H]1C[C@H](C(=O)NCCN2CC[NH2+]CC2)[C@H]2C[C@H]21 ZINC000911695606 656252517 /nfs/dbraw/zinc/25/25/17/656252517.db2.gz NSVGLSDSHLUHBZ-WHOHXGKFSA-N 2 0 252.362 -1.009 20 0 CAADRP O=C(CNC(=O)[C@]12C[C@H]1CCC[NH2+]2)N1CC[NH2+]CC1 ZINC000911702759 656252841 /nfs/dbraw/zinc/25/28/41/656252841.db2.gz QBXDHYORKWKKBV-MFKMUULPSA-N 2 0 266.345 -1.324 20 0 CAADRP O=C(CNC(=O)[C@H]1[C@@H]2CC[NH2+]C[C@@H]21)N1CC[NH2+]CC1 ZINC000911702904 656252946 /nfs/dbraw/zinc/25/29/46/656252946.db2.gz RQHBONAAEARKBW-SCVCMEIPSA-N 2 0 266.345 -1.610 20 0 CAADRP C[NH2+]C1(C(=O)NCC(=O)N2CC[NH2+]CC2)CCC1 ZINC000911702489 656253135 /nfs/dbraw/zinc/25/31/35/656253135.db2.gz LESCLKUBIBXKDG-UHFFFAOYSA-N 2 0 254.334 -1.324 20 0 CAADRP C[C@@H](C[NH3+])N(C)C(=O)[C@H]1CCCN(CC[NH3+])C1=O ZINC000911814549 656253473 /nfs/dbraw/zinc/25/34/73/656253473.db2.gz SZUXXSBIVQYQKJ-VHSXEESVSA-N 2 0 256.350 -1.011 20 0 CAADRP CN1CCN(C(=O)C[C@@]2(O)CCC[NH2+]C2)[C@@H](C[NH3+])C1 ZINC000911874653 656254491 /nfs/dbraw/zinc/25/44/91/656254491.db2.gz COQDDWIGOZDGML-AAEUAGOBSA-N 2 0 270.377 -1.408 20 0 CAADRP C[C@H]([NH3+])[C@H]1CN(C(=O)[C@@H]2C[NH2+]CCN2C)CCO1 ZINC000911882244 656254808 /nfs/dbraw/zinc/25/48/08/656254808.db2.gz UIKDDWUIWRHHNL-GARJFASQSA-N 2 0 256.350 -1.535 20 0 CAADRP CN1CCN(C(=O)[C@@H]2CCCN(CC[NH3+])C2=O)[C@H](C[NH3+])C1 ZINC000911878450 656254891 /nfs/dbraw/zinc/25/48/91/656254891.db2.gz GGERRWYSKDXNBX-VXGBXAGGSA-N 2 0 297.403 -1.715 20 0 CAADRP CN1CCN(C(=O)C2=NOC3(C2)CC[NH2+]CC3)[C@@H](C[NH3+])C1 ZINC000911875002 656254935 /nfs/dbraw/zinc/25/49/35/656254935.db2.gz HZLMZVUUONIDKC-NSHDSACASA-N 2 0 295.387 -1.014 20 0 CAADRP CN1CCN(C(=O)[C@H]2CCCN(CC[NH3+])C2=O)[C@H](C[NH3+])C1 ZINC000911878447 656254990 /nfs/dbraw/zinc/25/49/90/656254990.db2.gz GGERRWYSKDXNBX-NEPJUHHUSA-N 2 0 297.403 -1.715 20 0 CAADRP CN1CCN(C(=O)C2=NO[C@]3(C2)CCC[NH2+]C3)[C@@H](C[NH3+])C1 ZINC000911875814 656255131 /nfs/dbraw/zinc/25/51/31/656255131.db2.gz UTSCBNYNHIVDBG-FZMZJTMJSA-N 2 0 295.387 -1.014 20 0 CAADRP CN1CCN(C(=O)[C@@H]2CCCN(CC[NH3+])C2=O)[C@@H](C[NH3+])C1 ZINC000911878448 656255159 /nfs/dbraw/zinc/25/51/59/656255159.db2.gz GGERRWYSKDXNBX-NWDGAFQWSA-N 2 0 297.403 -1.715 20 0 CAADRP CN1CCN(C(=O)[C@@H]2[C@@H]3CC[NH2+]C[C@@H]32)[C@H](C[NH3+])C1 ZINC000911875977 656255170 /nfs/dbraw/zinc/25/51/70/656255170.db2.gz VMBKLPRWQPPEOQ-WISYIIOYSA-N 2 0 252.362 -1.057 20 0 CAADRP CN(CC[N@H+](C)CCO)C(=O)[C@@]1(C)C[C@@H](O)C[NH+]1C ZINC000912601006 656262001 /nfs/dbraw/zinc/26/20/01/656262001.db2.gz SJLXFTFQMOUDIP-DGCLKSJQSA-N 2 0 273.377 -1.176 20 0 CAADRP CN(CC[N@H+](C)CCO)C(=O)C1CN(C)CC[NH+](C)C1 ZINC000912611478 656263486 /nfs/dbraw/zinc/26/34/86/656263486.db2.gz BRXQYEDJGPCUDS-UHFFFAOYSA-N 2 0 286.420 -1.138 20 0 CAADRP CO[C@@H](C[NH3+])C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000227389684 656309983 /nfs/dbraw/zinc/30/99/83/656309983.db2.gz LBURPIIUMLWYOC-VWYCJHECSA-N 2 0 257.334 -1.061 20 0 CAADRP NC(=O)CN1CC(CNC(=O)[C@@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC001031689634 656383374 /nfs/dbraw/zinc/38/33/74/656383374.db2.gz XWFJWSWZHDLNCW-RYUDHWBXSA-N 2 0 296.371 -1.617 20 0 CAADRP CN1CCO[C@H](C(=O)N2C[C@H]([NH2+]CC(N)=O)C(C)(C)C2)C1 ZINC000995604126 656473653 /nfs/dbraw/zinc/47/36/53/656473653.db2.gz LAYVHZXRVDPXGP-QWRGUYRKSA-N 2 0 298.387 -1.371 20 0 CAADRP CN1CCO[C@@H](C(=O)N2C[C@@H]([NH2+]CC(N)=O)C(C)(C)C2)C1 ZINC000995604116 656473959 /nfs/dbraw/zinc/47/39/59/656473959.db2.gz LAYVHZXRVDPXGP-GHMZBOCLSA-N 2 0 298.387 -1.371 20 0 CAADRP C[C@@H]1CN(C)C[C@H](C(=O)N(C)C2CC([NH2+]CC(N)=O)C2)O1 ZINC000998983630 656565093 /nfs/dbraw/zinc/56/50/93/656565093.db2.gz OMPHRHIFYJLUHL-HBIQZDMRSA-N 2 0 298.387 -1.230 20 0 CAADRP C[C@H](C(=O)NCC[N@H+](C)CCOCCO)[NH+](C)C ZINC000922108482 656639319 /nfs/dbraw/zinc/63/93/19/656639319.db2.gz IUAXHHHQBHDWGY-LLVKDONJSA-N 2 0 261.366 -1.007 20 0 CAADRP CN(C(=O)[C@@H]1CN(C)CCO1)[C@H]1CC[N@H+](CCO)C1 ZINC001032981367 656671480 /nfs/dbraw/zinc/67/14/80/656671480.db2.gz RKPLCSTWNDSMFJ-RYUDHWBXSA-N 2 0 271.361 -1.158 20 0 CAADRP CC(CC[NH+]1C[C@H](O)[C@@H](O)C1)CC[NH+]1C[C@H](O)[C@@H](O)C1 ZINC000625713356 656703493 /nfs/dbraw/zinc/70/34/93/656703493.db2.gz AMUILSGADUWMDR-XUXIUFHCSA-N 2 0 288.388 -1.523 20 0 CAADRP O[C@H]1C[NH+](CCCCC[NH+]2C[C@H](O)[C@@H](O)C2)C[C@@H]1O ZINC000625713149 656706844 /nfs/dbraw/zinc/70/68/44/656706844.db2.gz USGZRCGDMMGZDG-CYDGBPFRSA-N 2 0 274.361 -1.769 20 0 CAADRP C[NH+](C)C[C@H](N)C(=O)NC[C@H]1C[N@@H+]2CCN1CCC2 ZINC000702390369 656736485 /nfs/dbraw/zinc/73/64/85/656736485.db2.gz HPBRVCGGKZKWLM-RYUDHWBXSA-N 2 0 269.393 -1.619 20 0 CAADRP C[NH+](C)C[C@H](N)C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000702385143 656738485 /nfs/dbraw/zinc/73/84/85/656738485.db2.gz CECSQARRQVYVHD-WOPDTQHZSA-N 2 0 270.377 -1.145 20 0 CAADRP [NH3+]CCN(C[C@@H](O)CO)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923386573 656803697 /nfs/dbraw/zinc/80/36/97/656803697.db2.gz HVNBKQZHAVNFQC-GHMZBOCLSA-N 2 0 259.350 -2.021 20 0 CAADRP CC[NH2+]CCCNS(=O)(=O)N1CC[NH2+]CC1 ZINC000923565774 656806925 /nfs/dbraw/zinc/80/69/25/656806925.db2.gz FSPMQMKHBZVNCK-UHFFFAOYSA-N 2 0 250.368 -1.274 20 0 CAADRP COCC[N@H+](C)C[C@H](O)CN1CCC[C@@H]([NH2+]CCO)C1 ZINC000708545621 656792313 /nfs/dbraw/zinc/79/23/13/656792313.db2.gz PWQBKECAFIUFLN-KGLIPLIRSA-N 2 0 289.420 -1.028 20 0 CAADRP COCC[N@H+](C)C[C@@H](O)CN1CCC[C@H]([NH2+]CCO)C1 ZINC000708545623 656792592 /nfs/dbraw/zinc/79/25/92/656792592.db2.gz PWQBKECAFIUFLN-UONOGXRCSA-N 2 0 289.420 -1.028 20 0 CAADRP COCC[N@H+](C)CCNC(=O)[C@]1(COC)C[NH2+]CCO1 ZINC000710705201 656793619 /nfs/dbraw/zinc/79/36/19/656793619.db2.gz YSMRACZFWGTPEE-CYBMUJFWSA-N 2 0 289.376 -1.314 20 0 CAADRP COC[C@]1(C(=O)NCCOCC[NH+](C)C)C[NH2+]CCO1 ZINC000710705120 656794105 /nfs/dbraw/zinc/79/41/05/656794105.db2.gz XTQFMPUOARGIBM-ZDUSSCGKSA-N 2 0 289.376 -1.314 20 0 CAADRP COCC[N@H+](C)CCNC(=O)[C@@]1(COC)C[NH2+]CCO1 ZINC000710705203 656794531 /nfs/dbraw/zinc/79/45/31/656794531.db2.gz YSMRACZFWGTPEE-ZDUSSCGKSA-N 2 0 289.376 -1.314 20 0 CAADRP CN(CCN1CC[NH2+]CC1)S(=O)(=O)C1C[NH2+]C1 ZINC000923571676 656807424 /nfs/dbraw/zinc/80/74/24/656807424.db2.gz YKGQEFWSCQQJRN-UHFFFAOYSA-N 2 0 262.379 -1.875 20 0 CAADRP CNS(=O)(=O)C[C@H]1CCCN1[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923315401 656802895 /nfs/dbraw/zinc/80/28/95/656802895.db2.gz VIRPEYAINOKKIZ-VLEAKVRGSA-N 2 0 277.390 -1.149 20 0 CAADRP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@@H+]2CCC[C@@H](N3CCNCC3=O)C2)C1 ZINC000923334348 656803268 /nfs/dbraw/zinc/80/32/68/656803268.db2.gz WNDNODNBLSXNKI-RNJOBUHISA-N 3 0 282.388 -1.267 20 0 CAADRP CS(=O)(=O)N[C@@H]1CCCN([C@H]2C[C@H]([NH3+])C[C@@H]2O)C1 ZINC000923302995 656803278 /nfs/dbraw/zinc/80/32/78/656803278.db2.gz GPZYZHILIUHTRB-VLEAKVRGSA-N 2 0 277.390 -1.149 20 0 CAADRP [NH3+]CCN(C[C@@H](O)CO)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923386574 656803612 /nfs/dbraw/zinc/80/36/12/656803612.db2.gz HVNBKQZHAVNFQC-MNOVXSKESA-N 2 0 259.350 -2.021 20 0 CAADRP O=C(CCN1CCC[C@H]([NH2+]CCO)C1)N1CC[NH2+]CC1 ZINC000923407521 656804082 /nfs/dbraw/zinc/80/40/82/656804082.db2.gz ZCIOMOPZQNOAOQ-ZDUSSCGKSA-N 2 0 284.404 -1.145 20 0 CAADRP CCS(=O)(=O)NCCCN1CC[NH2+]CC[NH2+]CC1 ZINC000923459957 656804637 /nfs/dbraw/zinc/80/46/37/656804637.db2.gz NLFIGDAQPPRYPD-UHFFFAOYSA-N 2 0 278.422 -1.189 20 0 CAADRP CCS(=O)(=O)NCCN1CC[NH2+]CC[NH2+]CC1 ZINC000923461755 656804691 /nfs/dbraw/zinc/80/46/91/656804691.db2.gz UPIXLCMINPZSKO-UHFFFAOYSA-N 2 0 264.395 -1.580 20 0 CAADRP O=S1(=O)NC[C@@H]2C[N@H+](CC[C@H]3CC[NH2+]C3)CCN21 ZINC000923549094 656806094 /nfs/dbraw/zinc/80/60/94/656806094.db2.gz GHBRPDRTOUKBQU-GHMZBOCLSA-N 2 0 274.390 -1.180 20 0 CAADRP C[C@H]1C[N@H+](CC(=O)N2CCNC(=O)C2)CC[C@@H]1C[NH3+] ZINC000923500119 656806106 /nfs/dbraw/zinc/80/61/06/656806106.db2.gz ODBSVEIBVAPENY-WDEREUQCSA-N 2 0 268.361 -1.139 20 0 CAADRP O=C(CN1C[C@@H]2CC[NH2+]C[C@@H]2C1)N1CCNC(=O)C1 ZINC000923521076 656806207 /nfs/dbraw/zinc/80/62/07/656806207.db2.gz ZJEWNQKLIWJZFE-WDEREUQCSA-N 2 0 266.345 -1.514 20 0 CAADRP [NH3+][C@@]1(CO)CCCN(CCC(=O)N2CC[NH2+]CC2)C1 ZINC000923477511 656806231 /nfs/dbraw/zinc/80/62/31/656806231.db2.gz KUBBQEVURJSAIW-ZDUSSCGKSA-N 2 0 270.377 -1.406 20 0 CAADRP O=S(=O)(NCCCN1CC[NH2+]CC1)[C@@H]1CCC[NH2+]C1 ZINC000923562953 656806758 /nfs/dbraw/zinc/80/67/58/656806758.db2.gz GPTWCDWUSBEPIH-GFCCVEGCSA-N 2 0 290.433 -1.047 20 0 CAADRP [NH3+]C[C@H]1CCCCN1S(=O)(=O)N1CC[NH2+]CC1 ZINC000923564660 656806894 /nfs/dbraw/zinc/80/68/94/656806894.db2.gz AZVLGPXCKIJIFP-SNVBAGLBSA-N 2 0 262.379 -1.050 20 0 CAADRP C[C@H]1CN(S(=O)(=O)N2CC[NH2+]CC2)CC[C@H]1[NH3+] ZINC000923568169 656806987 /nfs/dbraw/zinc/80/69/87/656806987.db2.gz FNUAUSOYEQDNFK-VHSXEESVSA-N 2 0 262.379 -1.195 20 0 CAADRP O=S(=O)(NCCN1CC[NH2+]CC1)[C@@H]1CCC[NH2+]C1 ZINC000923566497 656807014 /nfs/dbraw/zinc/80/70/14/656807014.db2.gz LXZVSVYOBHJSRI-LLVKDONJSA-N 2 0 276.406 -1.437 20 0 CAADRP O=C(CNS(=O)(=O)N1CC[NH2+]CC1)N1CC[NH2+]CC1 ZINC000923566146 656807170 /nfs/dbraw/zinc/80/71/70/656807170.db2.gz JEPFEIGLWQNVBU-UHFFFAOYSA-N 2 0 291.377 -2.842 20 0 CAADRP CN1CCN(S(=O)(=O)N2CC[NH2+]CC2)[C@@H](C[NH3+])C1 ZINC000923578043 656807197 /nfs/dbraw/zinc/80/71/97/656807197.db2.gz XBXXTJOWECWRHY-JTQLQIEISA-N 2 0 277.394 -2.289 20 0 CAADRP C[NH2+]C[C@@H]1CCCN1S(=O)(=O)N1CC[NH2+]CC1 ZINC000923574084 656807460 /nfs/dbraw/zinc/80/74/60/656807460.db2.gz QZCKJAFAPHIVOX-JTQLQIEISA-N 2 0 262.379 -1.180 20 0 CAADRP CN1CCN(S(=O)(=O)[C@@H]2CCC[NH2+]C2)[C@@H](C[NH3+])C1 ZINC000923577791 656807469 /nfs/dbraw/zinc/80/74/69/656807469.db2.gz VPHMQBVLEVRFPZ-WDEREUQCSA-N 2 0 276.406 -1.357 20 0 CAADRP O=C(CNS(=O)(=O)[C@H]1CCC[NH2+]C1)N1CC[NH2+]CC1 ZINC000923565692 656807474 /nfs/dbraw/zinc/80/74/74/656807474.db2.gz DSEJTVVYBSNPDO-JTQLQIEISA-N 2 0 290.389 -1.910 20 0 CAADRP COCC[N@@H+]1CCC[C@H]1CNS(=O)(=O)C1C[NH2+]C1 ZINC000923606665 656809728 /nfs/dbraw/zinc/80/97/28/656809728.db2.gz ZRFCJOHLDYKLOK-JTQLQIEISA-N 2 0 277.390 -1.012 20 0 CAADRP C[NH+](C)C[C@H]1CN(S(=O)(=O)C2C[NH2+]C2)CCO1 ZINC000923611774 656809801 /nfs/dbraw/zinc/80/98/01/656809801.db2.gz JILQMCVUQGJPNI-VIFPVBQESA-N 2 0 263.363 -1.450 20 0 CAADRP CN(CCCN1CC[NH+](C)CC1)S(=O)(=O)C1C[NH2+]C1 ZINC000923611580 656809849 /nfs/dbraw/zinc/80/98/49/656809849.db2.gz BMOAJVDTCUAMDF-UHFFFAOYSA-N 2 0 290.433 -1.143 20 0 CAADRP C[C@@H](O)CN1CCN(S(=O)(=O)C2C[NH2+]C2)C[C@@H]1C ZINC000923620635 656810323 /nfs/dbraw/zinc/81/03/23/656810323.db2.gz KGNCYWDLHAGBJE-VHSXEESVSA-N 2 0 277.390 -1.325 20 0 CAADRP C[C@H](CNS(=O)(=O)C1C[NH2+]C1)N1CC[NH+](C)CC1 ZINC000923616526 656810761 /nfs/dbraw/zinc/81/07/61/656810761.db2.gz JJSLDJNAJVZZTJ-SNVBAGLBSA-N 2 0 276.406 -1.487 20 0 CAADRP C[C@H](CCC[NH3+])NS(=O)(=O)N1CC[NH2+]CC1 ZINC000923643076 656811321 /nfs/dbraw/zinc/81/13/21/656811321.db2.gz ZLFVIMRSBMNNME-SECBINFHSA-N 2 0 250.368 -1.147 20 0 CAADRP O=S(=O)(NCC1=CC[NH2+]CC1)N1CC[NH2+]CC1 ZINC000923638026 656811505 /nfs/dbraw/zinc/81/15/05/656811505.db2.gz ALOPRHYBFRGTNU-UHFFFAOYSA-N 2 0 260.363 -1.354 20 0 CAADRP C[NH2+][C@H]1CCCN(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000923636497 656811515 /nfs/dbraw/zinc/81/15/15/656811515.db2.gz MJCKOKFUIUVYGT-JTQLQIEISA-N 2 0 262.379 -1.180 20 0 CAADRP [NH3+]C[C@H]1CN(S(=O)(=O)[C@H]2CCC[NH2+]C2)CCO1 ZINC000923636460 656811538 /nfs/dbraw/zinc/81/15/38/656811538.db2.gz ZNMBICMRGZIRPP-UWVGGRQHSA-N 2 0 263.363 -1.272 20 0 CAADRP [NH3+][C@@H]1CCC[C@@H](NS(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000923635732 656811557 /nfs/dbraw/zinc/81/15/57/656811557.db2.gz PKBQPPHWXWPIGX-NXEZZACHSA-N 2 0 262.379 -1.004 20 0 CAADRP C[C@H]1C[NH2+]CC[C@@H]1NS(=O)(=O)N1CC[NH2+]CC1 ZINC000923640088 656811585 /nfs/dbraw/zinc/81/15/85/656811585.db2.gz XPBUJSSQXLJGQV-UWVGGRQHSA-N 2 0 262.379 -1.276 20 0 CAADRP C[C@@H](CCC[NH3+])NS(=O)(=O)N1CC[NH2+]CC1 ZINC000923643078 656811604 /nfs/dbraw/zinc/81/16/04/656811604.db2.gz ZLFVIMRSBMNNME-VIFPVBQESA-N 2 0 250.368 -1.147 20 0 CAADRP O=S(=O)(C1C[NH2+]C1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000923640790 656811646 /nfs/dbraw/zinc/81/16/46/656811646.db2.gz MVDYHFVDVDXDFA-JTQLQIEISA-N 2 0 274.390 -1.733 20 0 CAADRP O=S(=O)(C1C[NH2+]C1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000923640795 656811824 /nfs/dbraw/zinc/81/18/24/656811824.db2.gz MVDYHFVDVDXDFA-SNVBAGLBSA-N 2 0 274.390 -1.733 20 0 CAADRP O=S(=O)(N[C@@H]1CCCC[NH2+]C1)N1CC[NH2+]CC1 ZINC000923640197 656811887 /nfs/dbraw/zinc/81/18/87/656811887.db2.gz DENHQQXOMVMJMN-SNVBAGLBSA-N 2 0 262.379 -1.132 20 0 CAADRP O=S(=O)(C1C[NH2+]C1)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000923643838 656811897 /nfs/dbraw/zinc/81/18/97/656811897.db2.gz MWXGPWXNVUMOST-SNVBAGLBSA-N 2 0 274.390 -1.733 20 0 CAADRP C[C@H]1C[NH2+]CC[C@H]1NS(=O)(=O)N1CC[NH2+]CC1 ZINC000923640089 656811906 /nfs/dbraw/zinc/81/19/06/656811906.db2.gz XPBUJSSQXLJGQV-VHSXEESVSA-N 2 0 262.379 -1.276 20 0 CAADRP O=S(=O)(NC[C@H]1C[NH2+]CCO1)[C@@H]1CCC[NH2+]C1 ZINC000923648144 656812258 /nfs/dbraw/zinc/81/22/58/656812258.db2.gz QQOATTYXCREPER-NXEZZACHSA-N 2 0 263.363 -1.354 20 0 CAADRP C[C@@H]1C[C@@H]([NH3+])CCN1S(=O)(=O)N1CC[NH2+]CC1 ZINC000923651984 656812351 /nfs/dbraw/zinc/81/23/51/656812351.db2.gz JZPAXQBBWUUQDH-ZJUUUORDSA-N 2 0 262.379 -1.052 20 0 CAADRP C[NH2+]C[C@@H]1C[C@H](F)CN1S(=O)(=O)N1CC[NH2+]CC1 ZINC000923643883 656812407 /nfs/dbraw/zinc/81/24/07/656812407.db2.gz NIPQVULNBKTFFW-UWVGGRQHSA-N 2 0 280.369 -1.232 20 0 CAADRP COCC[NH2+]C1CCN(S(=O)(=O)C2C[NH2+]C2)CC1 ZINC000923652595 656812446 /nfs/dbraw/zinc/81/24/46/656812446.db2.gz MJMNLKVDKSKOSC-UHFFFAOYSA-N 2 0 277.390 -1.012 20 0 CAADRP O=S(=O)(NC[C@H]1C[NH2+]CCO1)[C@H]1CCC[NH2+]C1 ZINC000923648147 656812461 /nfs/dbraw/zinc/81/24/61/656812461.db2.gz QQOATTYXCREPER-ZJUUUORDSA-N 2 0 263.363 -1.354 20 0 CAADRP O=S(=O)(NC[C@@H]1C[NH2+]CCO1)[C@H]1CCC[NH2+]C1 ZINC000923648145 656812548 /nfs/dbraw/zinc/81/25/48/656812548.db2.gz QQOATTYXCREPER-UWVGGRQHSA-N 2 0 263.363 -1.354 20 0 CAADRP O=S(=O)(NC[C@@H]1C[C@H](F)C[NH2+]1)N1CC[NH2+]CC1 ZINC000923644748 656812580 /nfs/dbraw/zinc/81/25/80/656812580.db2.gz LIZSNRUAXNITLS-IUCAKERBSA-N 2 0 266.342 -1.574 20 0 CAADRP [NH3+]CC1(CCNS(=O)(=O)N2CC[NH2+]CC2)CC1 ZINC000923651541 656812592 /nfs/dbraw/zinc/81/25/92/656812592.db2.gz GZBCPMDZXLAJJH-UHFFFAOYSA-N 2 0 262.379 -1.145 20 0 CAADRP O=S(=O)(NC[C@@H]1C[NH2+]CCO1)N1CC[NH2+]CC1 ZINC000923648151 656812600 /nfs/dbraw/zinc/81/26/00/656812600.db2.gz QXKRXLDICINSGI-VIFPVBQESA-N 2 0 264.351 -2.286 20 0 CAADRP CN(C1(C[NH3+])CCC1)S(=O)(=O)N1CC[NH2+]CC1 ZINC000923648242 656812711 /nfs/dbraw/zinc/81/27/11/656812711.db2.gz ZCQQCRDQQHMNOB-UHFFFAOYSA-N 2 0 262.379 -1.050 20 0 CAADRP [NH3+]C[C@@H]1CC[C@H](NS(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000923643937 656812722 /nfs/dbraw/zinc/81/27/22/656812722.db2.gz FAXVKACJBNYXLY-ZJUUUORDSA-N 2 0 262.379 -1.147 20 0 CAADRP O=S(=O)(NC[C@@H]1C[NH2+]CCCO1)N1CC[NH2+]CC1 ZINC000923644500 656812771 /nfs/dbraw/zinc/81/27/71/656812771.db2.gz IDQWWGQGQXOYEL-JTQLQIEISA-N 2 0 278.378 -1.896 20 0 CAADRP CC[C@@H]1[NH2+]CC[C@H]1NS(=O)(=O)N1CC[NH2+]CC1 ZINC000923662856 656813111 /nfs/dbraw/zinc/81/31/11/656813111.db2.gz TXVXSYOUSVOSIB-VHSXEESVSA-N 2 0 262.379 -1.134 20 0 CAADRP C[C@@H]1CC[C@@H](NS(=O)(=O)N2CC[NH2+]CC2)C[NH2+]1 ZINC000923661649 656813222 /nfs/dbraw/zinc/81/32/22/656813222.db2.gz HIMMTPGPZHMCPS-NXEZZACHSA-N 2 0 262.379 -1.134 20 0 CAADRP [NH3+][C@@]12CCC[C@@H]1CN(S(=O)(=O)N1CC[NH2+]CC1)C2 ZINC000923659627 656813290 /nfs/dbraw/zinc/81/32/90/656813290.db2.gz OOEOFGUSCOWIMG-GHMZBOCLSA-N 2 0 274.390 -1.050 20 0 CAADRP CN(CCOCC[NH3+])S(=O)(=O)N1CC[NH2+]CC1 ZINC000923663220 656813345 /nfs/dbraw/zinc/81/33/45/656813345.db2.gz OSHAADUPQXZRFS-UHFFFAOYSA-N 2 0 266.367 -1.957 20 0 CAADRP CO[C@@H]1CN(S(=O)(=O)C2C[NH2+]C2)[C@@](C)(C[NH3+])C1 ZINC000923661717 656813500 /nfs/dbraw/zinc/81/35/00/656813500.db2.gz IUZVPSVSSDYILI-WCBMZHEXSA-N 2 0 263.363 -1.274 20 0 CAADRP C[NH2+]CCOCCNS(=O)(=O)N1CC[NH2+]CC1 ZINC000923661833 656813519 /nfs/dbraw/zinc/81/35/19/656813519.db2.gz NPXDLGSBAKGDAZ-UHFFFAOYSA-N 2 0 266.367 -2.038 20 0 CAADRP C[NH2+]CCOCCN(C)S(=O)(=O)N1CC[NH2+]CC1 ZINC000923663567 656813574 /nfs/dbraw/zinc/81/35/74/656813574.db2.gz XIPNCKJUJCEIET-UHFFFAOYSA-N 2 0 280.394 -1.696 20 0 CAADRP C[C@@H]1CN(S(=O)(=O)N2CC[NH2+]CC2)C[C@H]1C[NH3+] ZINC000923667047 656813639 /nfs/dbraw/zinc/81/36/39/656813639.db2.gz RGJKCGJXYYYRSC-NXEZZACHSA-N 2 0 262.379 -1.337 20 0 CAADRP C[NH2+]CCOCCN(C)S(=O)(=O)C1C[NH2+]C1 ZINC000923662721 656813668 /nfs/dbraw/zinc/81/36/68/656813668.db2.gz RSWVXDKYHYTGBG-UHFFFAOYSA-N 2 0 251.352 -1.544 20 0 CAADRP CCO[C@@H](CNS(=O)(=O)C1C[NH2+]C1)C[NH+](C)C ZINC000923675527 656814299 /nfs/dbraw/zinc/81/42/99/656814299.db2.gz CBFHSUXNZMEKPC-VIFPVBQESA-N 2 0 265.379 -1.156 20 0 CAADRP CC1(C)CN(S(=O)(=O)N2CC[NH2+]CC2)C[C@@H]1[NH3+] ZINC000923678010 656814011 /nfs/dbraw/zinc/81/40/11/656814011.db2.gz QQAHMJHZOQQJLB-VIFPVBQESA-N 2 0 262.379 -1.195 20 0 CAADRP CCO[C@H](CNS(=O)(=O)C1C[NH2+]C1)C[NH+](C)C ZINC000923675526 656814069 /nfs/dbraw/zinc/81/40/69/656814069.db2.gz CBFHSUXNZMEKPC-SECBINFHSA-N 2 0 265.379 -1.156 20 0 CAADRP O=S(=O)(NCCCCCN1CC[NH2+]CC1)C1C[NH2+]C1 ZINC000923680168 656814184 /nfs/dbraw/zinc/81/41/84/656814184.db2.gz SPQBTTAQPYKSKT-UHFFFAOYSA-N 2 0 290.433 -1.047 20 0 CAADRP CCN([C@H]1CC[NH2+]C1)S(=O)(=O)N1CC[NH2+]CC1 ZINC000923674597 656814216 /nfs/dbraw/zinc/81/42/16/656814216.db2.gz RRCWXBGOGRLPIP-JTQLQIEISA-N 2 0 262.379 -1.180 20 0 CAADRP [NH3+][C@@]1(CO)CCCN(S(=O)(=O)[C@@H]2CCC[NH2+]C2)C1 ZINC000923697138 656816012 /nfs/dbraw/zinc/81/60/12/656816012.db2.gz YMPXEXWLZBTSTB-MNOVXSKESA-N 2 0 277.390 -1.146 20 0 CAADRP [NH3+][C@]1(CO)CCCN(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000923694559 656816016 /nfs/dbraw/zinc/81/60/16/656816016.db2.gz IZSFUSBSGSBVSY-SNVBAGLBSA-N 2 0 278.378 -2.078 20 0 CAADRP [NH3+][C@@]1(CO)CCCN(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000923694556 656816145 /nfs/dbraw/zinc/81/61/45/656816145.db2.gz IZSFUSBSGSBVSY-JTQLQIEISA-N 2 0 278.378 -2.078 20 0 CAADRP [NH3+]CC[C@H]1CCN(S(=O)(=O)C[C@@H]2C[NH2+]CCO2)C1 ZINC000923697719 656816252 /nfs/dbraw/zinc/81/62/52/656816252.db2.gz AIICOXJQPIXFMO-QWRGUYRKSA-N 2 0 277.390 -1.025 20 0 CAADRP [NH3+]CC[C@H]1CCN(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000923696830 656816319 /nfs/dbraw/zinc/81/63/19/656816319.db2.gz FKPXGCXBDZHGPA-JTQLQIEISA-N 2 0 262.379 -1.193 20 0 CAADRP C[C@@H]1CN(C(=O)C(=O)N(C)CC[NH+](C)C)C[C@H]1[NH3+] ZINC000926294507 656821094 /nfs/dbraw/zinc/82/10/94/656821094.db2.gz ULRAHJDGINRPIP-NXEZZACHSA-N 2 0 256.350 -1.188 20 0 CAADRP C[NH+](C)[C@@H]1CCN(C(=O)C(=O)N2CCC[C@]([NH3+])(CO)C2)C1 ZINC000926329164 656821358 /nfs/dbraw/zinc/82/13/58/656821358.db2.gz BZTRYRYJGBGBOQ-BXUZGUMPSA-N 2 0 298.387 -1.539 20 0 CAADRP C[C@@H]1CN(C(=O)C(=O)N2CCO[C@H](C[NH+](C)C)C2)C[C@H]1[NH3+] ZINC000926336641 656821611 /nfs/dbraw/zinc/82/16/11/656821611.db2.gz ZAAMOOHGSJICBZ-IJLUTSLNSA-N 2 0 298.387 -1.419 20 0 CAADRP C[NH+](C)[C@@H]1CCN(C(=O)C(=O)N2CCNCC[NH2+]CC2)C1 ZINC000926332784 656821768 /nfs/dbraw/zinc/82/17/68/656821768.db2.gz ZQZVLBMKYSJBDH-GFCCVEGCSA-N 2 0 297.403 -1.830 20 0 CAADRP C[NH+](C)CCN1CCN(C[C@H](O)C2(O)CCC2)CC1=O ZINC000930850872 656842555 /nfs/dbraw/zinc/84/25/55/656842555.db2.gz VGVNMMRSCABTNU-LBPRGKRZSA-N 2 0 285.388 -1.032 20 0 CAADRP C[N@@H+]1CC[C@@H]2CN(CC(=O)N3CCNC(=O)C3)C[C@@H]2C1 ZINC000931430994 656845501 /nfs/dbraw/zinc/84/55/01/656845501.db2.gz UQBWCIJGCUFRTN-NEPJUHHUSA-N 2 0 280.372 -1.172 20 0 CAADRP C[NH+](C[C@H](O)CO)[C@H]1CC[C@H]([N@H+](C)C[C@H](O)CO)CC1 ZINC000931738730 656848300 /nfs/dbraw/zinc/84/83/00/656848300.db2.gz XFJZFDGPUQIBGQ-XUXIUFHCSA-N 2 0 290.404 -1.132 20 0 CAADRP CN(CC[NH+](C)C)C(=O)C(=O)NC[C@H]1CCN1C ZINC000931877390 656850513 /nfs/dbraw/zinc/85/05/13/656850513.db2.gz HVLBESAVLHZHMO-SNVBAGLBSA-N 2 0 256.350 -1.173 20 0 CAADRP O=C(NC[C@H]1C[N@H+](CCO)C[C@@H]1O)C12CC[NH+](CC1)C2 ZINC000958594542 656975596 /nfs/dbraw/zinc/97/55/96/656975596.db2.gz JOOFQWLNDAYBLT-RYUDHWBXSA-N 2 0 283.372 -1.517 20 0 CAADRP O=C(NC[C@H]1C[N@H+](CCO)C[C@H]1O)C12CC[NH+](CC1)C2 ZINC000958594541 656975898 /nfs/dbraw/zinc/97/58/98/656975898.db2.gz JOOFQWLNDAYBLT-NWDGAFQWSA-N 2 0 283.372 -1.517 20 0 CAADRP O=C(NC[C@@H]1C[N@H+](CCO)C[C@H]1O)C12CC[NH+](CC1)C2 ZINC000958594543 656976340 /nfs/dbraw/zinc/97/63/40/656976340.db2.gz JOOFQWLNDAYBLT-VXGBXAGGSA-N 2 0 283.372 -1.517 20 0 CAADRP C[NH+](C)CCn1cc(NC(=O)C(=O)N2CC[NH2+]CC2)cn1 ZINC000652620761 657048530 /nfs/dbraw/zinc/04/85/30/657048530.db2.gz QMZABYZURLABHL-UHFFFAOYSA-N 2 0 294.359 -1.185 20 0 CAADRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC(N)=O)C1 ZINC001020025960 657283652 /nfs/dbraw/zinc/28/36/52/657283652.db2.gz AXGLCWRHICNIRX-OPRDCNLKSA-N 2 0 254.334 -1.197 20 0 CAADRP C[NH+](C)CCC(=O)N[C@@H]1[C@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC001114774160 782213451 /nfs/dbraw/zinc/21/34/51/782213451.db2.gz JCTGIAMAIGIPFS-SRRSOLGSSA-N 2 0 280.372 -1.127 20 0 CAADRP C[NH+](C)CCC(=O)N[C@@H]1[C@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC001114774161 782213782 /nfs/dbraw/zinc/21/37/82/782213782.db2.gz JCTGIAMAIGIPFS-XZUYRWCXSA-N 2 0 280.372 -1.127 20 0 CAADRP COC[C@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[NH+](C)C ZINC001114778129 782213905 /nfs/dbraw/zinc/21/39/05/782213905.db2.gz FSEWQQAFKHOGIZ-NMKXLXIOSA-N 2 0 285.388 -1.008 20 0 CAADRP COCC[N@H+](C)C[C@@H](O)CN(C)CCN1CC[NH2+]CC1 ZINC000380728945 782231420 /nfs/dbraw/zinc/23/14/20/782231420.db2.gz RRNORNBEMZAUAM-AWEZNQCLSA-N 2 0 288.436 -1.238 20 0 CAADRP CN(C(=O)[C@@H]1CCC[NH+]1C)[C@H]1C[N@H+](CCCO)C[C@@H]1O ZINC001047323958 782460705 /nfs/dbraw/zinc/46/07/05/782460705.db2.gz DEMXUYOPTUUQDK-AVGNSLFASA-N 2 0 285.388 -1.034 20 0 CAADRP [NH3+][C@@H]1CC[C@H](C[N@@H+]2CCN3C(=O)C(=O)NC[C@H]3C2)C1 ZINC000903456334 782531443 /nfs/dbraw/zinc/53/14/43/782531443.db2.gz HAFNSSYGDMUGSO-AXFHLTTASA-N 2 0 266.345 -1.244 20 0 CAADRP CON1CC[C@H]([N@@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)C1=O ZINC000903422457 782532102 /nfs/dbraw/zinc/53/21/02/782532102.db2.gz DJJXZHVYDHSSDN-MNOVXSKESA-N 2 0 284.360 -1.064 20 0 CAADRP CON1CC[C@@H]([N@@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)C1=O ZINC000903422456 782533194 /nfs/dbraw/zinc/53/31/94/782533194.db2.gz DJJXZHVYDHSSDN-GHMZBOCLSA-N 2 0 284.360 -1.064 20 0 CAADRP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](CCn1cnnn1)C2 ZINC000903494525 782535130 /nfs/dbraw/zinc/53/51/30/782535130.db2.gz IMXBQIJUUMSMKZ-UMNHJUIQSA-N 2 0 280.332 -1.115 20 0 CAADRP [NH3+][C@H](CNC(=O)N1CCNCC[NH2+]CC1)C1CC1 ZINC001262584549 782548058 /nfs/dbraw/zinc/54/80/58/782548058.db2.gz FKJZMCCCNSSPOL-LLVKDONJSA-N 2 0 255.366 -1.072 20 0 CAADRP C[NH+](C)CCC(=O)NCC[NH2+]CC(=O)NC(N)=O ZINC001133290985 776773378 /nfs/dbraw/zinc/77/33/78/776773378.db2.gz GVIBAEQTIVEAIU-UHFFFAOYSA-N 2 0 259.310 -2.161 20 0 CAADRP C[C@H]([NH2+]CCNC(=O)C1CC[NH+](C)CC1)C(N)=O ZINC001133285754 776773637 /nfs/dbraw/zinc/77/36/37/776773637.db2.gz HFZSLJZRFOCBEH-VIFPVBQESA-N 2 0 256.350 -1.092 20 0 CAADRP CNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)CC[NH+](C)C ZINC001133291718 776773737 /nfs/dbraw/zinc/77/37/37/776773737.db2.gz XKWYXCSCYZTQFI-SECBINFHSA-N 2 0 287.364 -1.512 20 0 CAADRP C[NH+](C)CCC(=O)NCC[NH2+]CCCN1C(=O)CNC1=O ZINC001133291666 776773974 /nfs/dbraw/zinc/77/39/74/776773974.db2.gz VNNFOLDXUTXVPP-UHFFFAOYSA-N 2 0 299.375 -1.414 20 0 CAADRP COCCOC[C@@H](O)C[NH2+]CCNC(=O)CC[NH+](C)C ZINC001133288477 776774183 /nfs/dbraw/zinc/77/41/83/776774183.db2.gz XRQFHMXBONCWPF-LBPRGKRZSA-N 2 0 291.392 -1.332 20 0 CAADRP C[NH+](C)CCC(=O)NCC[NH2+]CCN1CCNC1=O ZINC001133287290 776774204 /nfs/dbraw/zinc/77/42/04/776774204.db2.gz FVZSVYVBVIRMIQ-UHFFFAOYSA-N 2 0 271.365 -1.331 20 0 CAADRP C[C@@H]([NH2+]CCNC(=O)C1CC[NH+](C)CC1)C(=O)NC(N)=O ZINC001133285707 776774330 /nfs/dbraw/zinc/77/43/30/776774330.db2.gz DUTCGBPPTZUIAE-SECBINFHSA-N 2 0 299.375 -1.383 20 0 CAADRP CN1CC[C@H]([NH2+]CCNC(=O)CC[NH+](C)C)C1=O ZINC001133290970 776774418 /nfs/dbraw/zinc/77/44/18/776774418.db2.gz GMEKPIFEGCJXDH-JTQLQIEISA-N 2 0 256.350 -1.125 20 0 CAADRP CNC(=O)C[NH2+]CCNC(=O)C1CC[NH+](C)CC1 ZINC001133285781 776774485 /nfs/dbraw/zinc/77/44/85/776774485.db2.gz IKCJIHRIRDHEIU-UHFFFAOYSA-N 2 0 256.350 -1.220 20 0 CAADRP C[NH+](C)CCC(=O)NCC[NH2+]CCn1cncn1 ZINC001133290936 776774722 /nfs/dbraw/zinc/77/47/22/776774722.db2.gz FMUGBROYQDGWLN-UHFFFAOYSA-N 2 0 254.338 -1.064 20 0 CAADRP C[C@@H]([NH2+][C@H](CO)CNC(=O)CC[NH+](C)C)C(N)=O ZINC001283804019 777919375 /nfs/dbraw/zinc/91/93/75/777919375.db2.gz MSVQZGXTRHFICG-BDAKNGLRSA-N 2 0 260.338 -2.121 20 0 CAADRP C[C@@H]([NH2+][C@@H](CO)CNC(=O)CC[NH+](C)C)C(N)=O ZINC001283804028 777919723 /nfs/dbraw/zinc/91/97/23/777919723.db2.gz MSVQZGXTRHFICG-RKDXNWHRSA-N 2 0 260.338 -2.121 20 0 CAADRP O[C@@H]1CC[NH+](CCCC[N@H+]2CC[C@@H](O)[C@@H](O)C2)C[C@@H]1O ZINC001119260690 779610481 /nfs/dbraw/zinc/61/04/81/779610481.db2.gz HYKQZOHRVPPBGZ-MQYQWHSLSA-N 2 0 288.388 -1.378 20 0 CAADRP C[NH+]1CCC(NC(=O)C(=O)N2CCC[C@]([NH3+])(CO)C2)CC1 ZINC001120419643 779635721 /nfs/dbraw/zinc/63/57/21/779635721.db2.gz WLUGIMGDHHONBG-CQSZACIVSA-N 2 0 298.387 -1.491 20 0 CAADRP C[NH+]1CCC(NC(=O)C(=O)N2CCNCC[NH2+]CC2)CC1 ZINC001120517023 779639943 /nfs/dbraw/zinc/63/99/43/779639943.db2.gz OMLQSTROXFNUJO-UHFFFAOYSA-N 2 0 297.403 -1.782 20 0 CAADRP O=C(NCC[NH2+]C1CC1)N1CCNCC[NH2+]CC1 ZINC001120625092 779642773 /nfs/dbraw/zinc/64/27/73/779642773.db2.gz GJQJUALEROCGQN-UHFFFAOYSA-N 2 0 255.366 -1.057 20 0 CAADRP COC[C@@]1(C(=O)N2C[C@@H](C)[C@H]([NH3+])C2)C[NH2+]CCO1 ZINC001122210716 779661913 /nfs/dbraw/zinc/66/19/13/779661913.db2.gz PWMIMGGBXLOLAH-CKYFFXLPSA-N 2 0 257.334 -1.203 20 0 CAADRP O=C(C[C@@H]1CSCC[NH2+]1)N1CC[NH2+]C[C@@H]1CO ZINC001122208332 779661934 /nfs/dbraw/zinc/66/19/34/779661934.db2.gz LOYUCEOPJNJMCG-NXEZZACHSA-N 2 0 259.375 -1.126 20 0 CAADRP O=C([C@H]1C[NH2+]CCO1)N1CCC2(CC1)C[NH2+]CCO2 ZINC001122233188 779661968 /nfs/dbraw/zinc/66/19/68/779661968.db2.gz FGRNEPNIYONNFZ-LLVKDONJSA-N 2 0 269.345 -1.044 20 0 CAADRP C[C@@H]1C[NH2+]C[C@H]1CNC(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC001122226578 779661982 /nfs/dbraw/zinc/66/19/82/779661982.db2.gz IEDZQRIESKTXHV-VWYCJHECSA-N 2 0 268.361 -1.174 20 0 CAADRP C[C@@H]1C[NH2+]C[C@H]1NC(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC001122223999 779662125 /nfs/dbraw/zinc/66/21/25/779662125.db2.gz AHKGMJACDNOAOT-KXUCPTDWSA-N 2 0 254.334 -1.421 20 0 CAADRP O=C(C[C@H]1CSCC[NH2+]1)N1CC[NH2+]C[C@@H]1CO ZINC001122208334 779662582 /nfs/dbraw/zinc/66/25/82/779662582.db2.gz LOYUCEOPJNJMCG-VHSXEESVSA-N 2 0 259.375 -1.126 20 0 CAADRP CS(=O)(=O)N(CC[NH3+])C(=O)[C@H](N)CCC[NH3+] ZINC001219593973 780234715 /nfs/dbraw/zinc/23/47/15/780234715.db2.gz SVEURVMJTHBRQX-SSDOTTSWSA-N 2 0 252.340 -2.201 20 0 CAADRP C[NH2+][C@@H](C)C(=O)NCC[NH2+]CCNC(=O)[C@H](C)[NH2+]C ZINC001122366538 779666829 /nfs/dbraw/zinc/66/68/29/779666829.db2.gz QXZNURCHOBSHQP-UWVGGRQHSA-N 3 0 273.381 -1.976 20 0 CAADRP CN1CCN(C(=O)[C@@H]2OCC[C@@H]2[NH3+])CC[N@H+](C)CC1 ZINC001122376458 779667080 /nfs/dbraw/zinc/66/70/80/779667080.db2.gz AWJCGKDSTJAMFP-NWDGAFQWSA-N 2 0 270.377 -1.192 20 0 CAADRP [NH3+][C@H]1C[C@H](NC(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC001122578934 779672385 /nfs/dbraw/zinc/67/23/85/779672385.db2.gz NQJYPKTUMGTVFL-GUBZILKMSA-N 2 0 254.334 -1.149 20 0 CAADRP [NH3+]CCNCC(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC001122535660 779672424 /nfs/dbraw/zinc/67/24/24/779672424.db2.gz DSXULQIVFDNFBB-RYUDHWBXSA-N 2 0 270.377 -1.408 20 0 CAADRP COC(=O)[C@H]1CN(C)CCN1C(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001161237264 779678174 /nfs/dbraw/zinc/67/81/74/779678174.db2.gz KFZANIVQYDOVIE-WDEREUQCSA-N 2 0 296.371 -1.889 20 0 CAADRP COC(=O)[C@@H]1CN(C)CCN1C(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001161237263 779678220 /nfs/dbraw/zinc/67/82/20/779678220.db2.gz KFZANIVQYDOVIE-QWRGUYRKSA-N 2 0 296.371 -1.889 20 0 CAADRP C[NH+]1CCC(C(=O)NCCN(CC[NH3+])N(O)N=O)CC1 ZINC001143317194 779773882 /nfs/dbraw/zinc/77/38/82/779773882.db2.gz ATWQGZMUZSNQCO-UHFFFAOYSA-N 2 0 288.352 -1.007 20 0 CAADRP C[C@@H]1C[C@H](NC(=O)C(=O)NC[C@@H]2COCC[NH2+]2)CC[N@@H+]1C ZINC001118864234 779591495 /nfs/dbraw/zinc/59/14/95/779591495.db2.gz ANKDGEVINIUICL-IJLUTSLNSA-N 2 0 298.387 -1.310 20 0 CAADRP C[C@@H]1C[C@H](NC(=O)C(=O)NC[C@H]2COCC[NH2+]2)CC[N@@H+]1C ZINC001118864235 779591590 /nfs/dbraw/zinc/59/15/90/779591590.db2.gz ANKDGEVINIUICL-UTUOFQBUSA-N 2 0 298.387 -1.310 20 0 CAADRP O=S(=O)(C[C@@H]1C[NH2+]CCO1)NCC1=CC[NH2+]CC1 ZINC001118995895 779601835 /nfs/dbraw/zinc/60/18/35/779601835.db2.gz KKVSODDBIRWHSP-NSHDSACASA-N 2 0 275.374 -1.186 20 0 CAADRP [NH3+][C@H]1C[C@@H](CNS(=O)(=O)C[C@H]2C[NH2+]CCO2)C1 ZINC001118995956 779601897 /nfs/dbraw/zinc/60/18/97/779601897.db2.gz LMRFYKFSDFAQBL-KXUCPTDWSA-N 2 0 263.363 -1.369 20 0 CAADRP [NH3+]CC(=O)NCC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001118992218 779601934 /nfs/dbraw/zinc/60/19/34/779601934.db2.gz BPKGWMZGRMDMQZ-ILWJIGKKSA-N 2 0 254.334 -1.292 20 0 CAADRP [NH3+]C[C@@]1(O)CCCCN(S(=O)(=O)[C@H]2CC[NH2+]C2)C1 ZINC001238944251 780526310 /nfs/dbraw/zinc/52/63/10/780526310.db2.gz PYJUXCYQSPBKGW-QWRGUYRKSA-N 2 0 277.390 -1.146 20 0 CAADRP [NH3+]C[C@@]1(O)CCCCN(S(=O)(=O)[C@@H]2CC[NH2+]C2)C1 ZINC001238944250 780526318 /nfs/dbraw/zinc/52/63/18/780526318.db2.gz PYJUXCYQSPBKGW-MNOVXSKESA-N 2 0 277.390 -1.146 20 0 CAADRP [NH3+][C@@H]1C[C@H](O)CN(S(=O)(=O)CC2CC[NH2+]CC2)C1 ZINC001238926525 780526462 /nfs/dbraw/zinc/52/64/62/780526462.db2.gz QBQWEGXJRRIKTD-MNOVXSKESA-N 2 0 277.390 -1.290 20 0 CAADRP [NH3+]C[C@]1(O)CCCN(S(=O)(=O)[C@@H]2CC[NH2+]C2)CC1 ZINC001238934666 780526505 /nfs/dbraw/zinc/52/65/05/780526505.db2.gz MGXACHDYRCPYCR-MNOVXSKESA-N 2 0 277.390 -1.146 20 0 CAADRP [NH3+]CCS(=O)(=O)N1CCOC[C@]2(C[NH2+]CCO2)C1 ZINC001238999729 780526934 /nfs/dbraw/zinc/52/69/34/780526934.db2.gz LAGASYKPZKKXRJ-JTQLQIEISA-N 2 0 279.362 -2.034 20 0 CAADRP O=S(=O)([C@@H]1CC[NH2+]C1)N1CCNC2(CC[NH2+]CC2)C1 ZINC001238988386 780527233 /nfs/dbraw/zinc/52/72/33/780527233.db2.gz FTXMHULEDLVXHH-LLVKDONJSA-N 2 0 288.417 -1.295 20 0 CAADRP C[NH+](C)C[C@H]1CN(S(=O)(=O)CC[NH3+])CCO1 ZINC001238985571 780527525 /nfs/dbraw/zinc/52/75/25/780527525.db2.gz CYXUMBIEWBJVQN-VIFPVBQESA-N 2 0 251.352 -1.463 20 0 CAADRP [NH3+]CCS(=O)(=O)N1CCO[C@@]2(CCC[NH2+]C2)C1 ZINC001239006622 780527657 /nfs/dbraw/zinc/52/76/57/780527657.db2.gz XKAKSOZVDPPOPN-SNVBAGLBSA-N 2 0 263.363 -1.271 20 0 CAADRP [NH3+]CCS(=O)(=O)N1CCNC2(CC[NH2+]CC2)C1 ZINC001238989207 780527866 /nfs/dbraw/zinc/52/78/66/780527866.db2.gz IROWXYUOUNGVBC-UHFFFAOYSA-N 2 0 262.379 -1.698 20 0 CAADRP [NH3+]CCS(=O)(=O)N1CCOC2(CC[NH2+]CC2)C1 ZINC001238997007 780527873 /nfs/dbraw/zinc/52/78/73/780527873.db2.gz JMJVFINIYIYDRB-UHFFFAOYSA-N 2 0 263.363 -1.271 20 0 CAADRP CCOC(=O)CN(CC[NH3+])S(=O)(=O)CC[NH3+] ZINC001239090762 780530356 /nfs/dbraw/zinc/53/03/56/780530356.db2.gz HWPVBJFZHVFEBC-UHFFFAOYSA-N 2 0 253.324 -1.901 20 0 CAADRP C[NH+](C)CCN(CC[NH+](C)C)S(=O)(=O)CC[NH3+] ZINC001239084449 780530524 /nfs/dbraw/zinc/53/05/24/780530524.db2.gz QAEOBQRKPBCWFM-UHFFFAOYSA-N 3 0 266.411 -1.300 20 0 CAADRP COC(=O)[C@@H]1CN(S(=O)(=O)CC[NH3+])C[C@@H]1[NH3+] ZINC001239134930 780532542 /nfs/dbraw/zinc/53/25/42/780532542.db2.gz KSINBWMCXNTOLJ-RQJHMYQMSA-N 2 0 251.308 -2.293 20 0 CAADRP COCCN([C@H]1CCC[NH2+]C1)S(=O)(=O)CC[NH3+] ZINC001239134149 780532572 /nfs/dbraw/zinc/53/25/72/780532572.db2.gz YOTWAHKVBMKBMV-JTQLQIEISA-N 2 0 265.379 -1.025 20 0 CAADRP COC(=O)[C@@H]1CN(S(=O)(=O)[C@H]2CC[NH2+]C2)C[C@H]1[NH3+] ZINC001239136359 780532820 /nfs/dbraw/zinc/53/28/20/780532820.db2.gz RMZDOJGGRKIGPG-DJLDLDEBSA-N 2 0 277.346 -1.890 20 0 CAADRP COC(=O)[C@H]1CN(S(=O)(=O)C2CC[NH2+]CC2)C[C@@H]1[NH3+] ZINC001239135208 780532889 /nfs/dbraw/zinc/53/28/89/780532889.db2.gz MUSPGRFIYGWWRG-UWVGGRQHSA-N 2 0 291.373 -1.500 20 0 CAADRP CCOC(=O)CN(CCC[NH3+])S(=O)(=O)CC[NH3+] ZINC001239128091 780532935 /nfs/dbraw/zinc/53/29/35/780532935.db2.gz OQNXYTSNSPZLRW-UHFFFAOYSA-N 2 0 267.351 -1.511 20 0 CAADRP COCCN([C@@H]1CC[NH2+]C1)S(=O)(=O)CC[NH3+] ZINC001239135081 780533286 /nfs/dbraw/zinc/53/32/86/780533286.db2.gz USDJFZNFEVULJU-SECBINFHSA-N 2 0 251.352 -1.415 20 0 CAADRP [NH3+]CCS(=O)(=O)N1CCC(N2CC[C@H]([NH3+])C2)CC1 ZINC001239162339 780534515 /nfs/dbraw/zinc/53/45/15/780534515.db2.gz FVSZRIRIQSRJOQ-JTQLQIEISA-N 2 0 276.406 -1.228 20 0 CAADRP [NH3+][C@H]1C[C@H](CO)N(S(=O)(=O)CC2CC[NH2+]CC2)C1 ZINC001239141876 780534733 /nfs/dbraw/zinc/53/47/33/780534733.db2.gz VLWXBFUVGFIHEK-WDEREUQCSA-N 2 0 277.390 -1.290 20 0 CAADRP C[NH+](C)CCN(C1CC[NH2+]CC1)S(=O)(=O)CC[NH3+] ZINC001239167126 780534764 /nfs/dbraw/zinc/53/47/64/780534764.db2.gz JVNZILXLJGWEAB-UHFFFAOYSA-N 3 0 278.422 -1.110 20 0 CAADRP COC(=O)[C@]12CC[NH2+][C@@H]1CN(S(=O)(=O)CC[NH3+])CC2 ZINC001239171977 780534848 /nfs/dbraw/zinc/53/48/48/780534848.db2.gz DRYAMPSLERFBTQ-KOLCDFICSA-N 2 0 291.373 -1.498 20 0 CAADRP [NH3+][C@H]1CN(S(=O)(=O)CC2CC[NH2+]CC2)CC12COC2 ZINC001239175936 780535015 /nfs/dbraw/zinc/53/50/15/780535015.db2.gz XUKRMWHDVRTWSN-NSHDSACASA-N 2 0 289.401 -1.025 20 0 CAADRP C[NH+](C)CCN([C@@H]1CCC[NH2+]C1)S(=O)(=O)CC[NH3+] ZINC001239168357 780535136 /nfs/dbraw/zinc/53/51/36/780535136.db2.gz YQGQLLDVPYJCCZ-LLVKDONJSA-N 3 0 278.422 -1.110 20 0 CAADRP [NH3+]CCS(=O)(=O)N1CC[C@H](N2CCC([NH3+])CC2)C1 ZINC001239160937 780535163 /nfs/dbraw/zinc/53/51/63/780535163.db2.gz IEYWDIRGUMEPGU-NSHDSACASA-N 2 0 276.406 -1.228 20 0 CAADRP C[NH+](C)CCNC(=S)N[C@]12CC[NH2+][C@@H]1CC(=O)N2 ZINC001239366185 780535767 /nfs/dbraw/zinc/53/57/67/780535767.db2.gz IDDZJPWEAGACPB-LDYMZIIASA-N 2 0 271.390 -1.410 20 0 CAADRP CCOC(=O)[C@@H]1C[NH2+]CCN1[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246599073 780557976 /nfs/dbraw/zinc/55/79/76/780557976.db2.gz CESDRXIMNKHQSR-RYUDHWBXSA-N 2 0 282.388 -1.083 20 0 CAADRP C1[NH2+]CC12C[C@H](N1CCN3CC[NH2+]C[C@@H]3C1)CCN2 ZINC001246624792 780558170 /nfs/dbraw/zinc/55/81/70/780558170.db2.gz OZXDLHKVADFKJZ-CHWSQXEVSA-N 2 0 265.405 -1.330 20 0 CAADRP C1[NH2+]CC12C[C@@H](N1CC3(C1)C[NH2+]CCO3)CCN2 ZINC001246617438 780558504 /nfs/dbraw/zinc/55/85/04/780558504.db2.gz CBKOMEIMZUTZBF-NSHDSACASA-N 2 0 252.362 -1.245 20 0 CAADRP C1[NH2+]CC12C[C@H]([N@@H+]1CCOC[C@]3(CNCCO3)C1)CCN2 ZINC001246601127 780558573 /nfs/dbraw/zinc/55/85/73/780558573.db2.gz GWKQNTLTTFMTDT-HIFRSBDPSA-N 2 0 296.415 -1.229 20 0 CAADRP C1[NH2+]CC12C[C@@H](N1CCO[C@@H]3C[NH2+]C[C@H]31)CCN2 ZINC001246626249 780558627 /nfs/dbraw/zinc/55/86/27/780558627.db2.gz HSKNEYATXLXFDX-QJPTWQEYSA-N 2 0 252.362 -1.247 20 0 CAADRP COC(=O)[C@@H](C[NH3+])C[NH2+]C1CCN(S(C)(=O)=O)CC1 ZINC001257227160 780628507 /nfs/dbraw/zinc/62/85/07/780628507.db2.gz PVNKZAAILLRNQS-VIFPVBQESA-N 2 0 293.389 -1.252 20 0 CAADRP CS(=O)(=O)N1CCC([NH2+]C[C@H](O)C[NH3+])CC1 ZINC001257222826 780628635 /nfs/dbraw/zinc/62/86/35/780628635.db2.gz FYMKLXHREZZBML-SECBINFHSA-N 2 0 251.352 -1.680 20 0 CAADRP COC(=O)[C@H](CCC[NH3+])NC(=O)CNC1CC[NH2+]CC1 ZINC001221188556 780405273 /nfs/dbraw/zinc/40/52/73/780405273.db2.gz XKLPYWTYNQBTNJ-NSHDSACASA-N 2 0 286.376 -1.275 20 0 CAADRP COC(=O)[C@H](CCC[NH3+])NC(=O)[C@@]1(N)CC[NH2+]C1 ZINC001221190473 780406017 /nfs/dbraw/zinc/40/60/17/780406017.db2.gz OXGHZTBGJWLTTH-GZMMTYOYSA-N 2 0 258.322 -1.926 20 0 CAADRP COC(=O)[C@H](CCC[NH3+])NC(=O)[C@H]1C[NH2+]CCN1 ZINC001221188553 780406040 /nfs/dbraw/zinc/40/60/40/780406040.db2.gz XJVHWYUUWXKWKE-DTWKUNHWSA-N 2 0 258.322 -2.056 20 0 CAADRP COC(=O)[C@H](CCC[NH3+])NC(=O)[C@H]1C[NH2+]C[C@@H]1N ZINC001221190452 780406080 /nfs/dbraw/zinc/40/60/80/780406080.db2.gz OBALFEDWSXZVJG-CIUDSAMLSA-N 2 0 258.322 -2.070 20 0 CAADRP COC(=O)[C@H](CCC[NH3+])NC(=O)CN1CC[NH2+]CC1 ZINC001221188152 780406095 /nfs/dbraw/zinc/40/60/95/780406095.db2.gz PPAVNSKYNOJXPM-JTQLQIEISA-N 2 0 272.349 -1.712 20 0 CAADRP COC(=O)[C@H](CCC[NH3+])NC(=O)[C@@H]([NH3+])Cc1cnc[nH]1 ZINC001221188614 780406189 /nfs/dbraw/zinc/40/61/89/780406189.db2.gz ZFJZZQIRTINAKB-UWVGGRQHSA-N 2 0 283.332 -1.324 20 0 CAADRP COC(=O)[C@H](CCC[NH3+])NC(=O)[C@H]1[NH2+]CC[C@@H]1O ZINC001221190560 780406307 /nfs/dbraw/zinc/40/63/07/780406307.db2.gz RNYHQXMFKAHWAI-CIUDSAMLSA-N 2 0 259.306 -1.894 20 0 CAADRP O=C(N[C@H]1CCCNC(=O)C1)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001221269567 780412882 /nfs/dbraw/zinc/41/28/82/780412882.db2.gz QHKMJNXZHBKQTR-UHIISALHSA-N 2 0 280.372 -1.030 20 0 CAADRP [NH3+]CCC[C@H]([NH3+])C(=O)NCC(=O)NCC(F)(F)F ZINC001221277905 780412953 /nfs/dbraw/zinc/41/29/53/780412953.db2.gz AVHFSGIJUBBAAA-LURJTMIESA-N 2 0 270.255 -1.153 20 0 CAADRP O=C(CNC(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2)NCC(F)(F)F ZINC001221278085 780412980 /nfs/dbraw/zinc/41/29/80/780412980.db2.gz HDCKJQQAJZZODZ-ZETCQYMHSA-N 2 0 294.277 -1.410 20 0 CAADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)N[C@@H]1CCCNC(=O)C1 ZINC001221269870 780412985 /nfs/dbraw/zinc/41/29/85/780412985.db2.gz ZZKDSORXNINACW-NEPJUHHUSA-N 2 0 297.403 -1.478 20 0 CAADRP O=C(N[C@H]1CCCNC(=O)C1)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001221268817 780413111 /nfs/dbraw/zinc/41/31/11/780413111.db2.gz DIIOWYYPRWFKDG-VHSXEESVSA-N 2 0 266.345 -1.420 20 0 CAADRP O=C(N[C@H]1CCCNC(=O)C1)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001221268816 780413394 /nfs/dbraw/zinc/41/33/94/780413394.db2.gz DIIOWYYPRWFKDG-UWVGGRQHSA-N 2 0 266.345 -1.420 20 0 CAADRP COC(=O)[C@H](C[NH3+])NS(=O)(=O)CC1CC[NH2+]CC1 ZINC001238036899 780512228 /nfs/dbraw/zinc/51/22/28/780512228.db2.gz VTCOJUCNLLOCBI-VIFPVBQESA-N 2 0 279.362 -1.594 20 0 CAADRP O=S(=O)(N[C@@H]1CC[NH2+]C[C@@H]1F)[C@H]1CC[NH2+]C1 ZINC001238058035 780512547 /nfs/dbraw/zinc/51/25/47/780512547.db2.gz YZNBRWSSNXRVOH-XHNCKOQMSA-N 2 0 251.327 -1.032 20 0 CAADRP C[C@@H](CN1CC[NH2+]CC1)NS(=O)(=O)CC[NH3+] ZINC001238033258 780513369 /nfs/dbraw/zinc/51/33/69/780513369.db2.gz WXFBXFIAAUHEQK-VIFPVBQESA-N 2 0 250.368 -1.842 20 0 CAADRP [NH3+]CCS(=O)(=O)NCC[C@@H]1CCOC12C[NH2+]C2 ZINC001238285445 780515666 /nfs/dbraw/zinc/51/56/66/780515666.db2.gz PDOXAILNDBSHGN-SECBINFHSA-N 2 0 263.363 -1.367 20 0 CAADRP [NH3+]CCS(=O)(=O)NC[C@H]1C[C@H]2C[NH2+]CCN2C1 ZINC001238269831 780516195 /nfs/dbraw/zinc/51/61/95/780516195.db2.gz JWGYVFIUTFFTIE-ZJUUUORDSA-N 2 0 262.379 -1.842 20 0 CAADRP COC(=O)[C@@H](NS(=O)(=O)CC[NH3+])C(C)(C)[NH3+] ZINC001238221223 780516247 /nfs/dbraw/zinc/51/62/47/780516247.db2.gz NJNVINBTQPYKLA-ZCFIWIBFSA-N 2 0 253.324 -1.857 20 0 CAADRP [NH3+]CCS(=O)(=O)N[C@H]1CCO[C@@]2(CC[NH2+]C2)C1 ZINC001238349088 780516277 /nfs/dbraw/zinc/51/62/77/780516277.db2.gz WIFNZGUZOLKQFF-UWVGGRQHSA-N 2 0 263.363 -1.224 20 0 CAADRP [NH3+]CCS(=O)(=O)NC[C@@H]1OC[C@H]2C[NH2+]CC[C@H]21 ZINC001238300778 780516332 /nfs/dbraw/zinc/51/63/32/780516332.db2.gz BQWXWWLLOLRZRV-BBBLOLIVSA-N 2 0 263.363 -1.511 20 0 CAADRP C[N@@H+]1CCCN(CCNS(=O)(=O)CC[NH3+])CC1 ZINC001238527959 780518408 /nfs/dbraw/zinc/51/84/08/780518408.db2.gz NEZRNZLTQKFVJR-UHFFFAOYSA-N 2 0 264.395 -1.498 20 0 CAADRP [NH3+]CCS(=O)(=O)N[C@H]1CO[C@@]2(C1)CCC[NH2+]C2 ZINC001238540266 780518606 /nfs/dbraw/zinc/51/86/06/780518606.db2.gz CQCFHYGTAKGGOC-NXEZZACHSA-N 2 0 263.363 -1.224 20 0 CAADRP CCOC(=O)[C@@H]1C[NH2+]CC[C@@H]1NS(=O)(=O)CC[NH3+] ZINC001238411841 780518633 /nfs/dbraw/zinc/51/86/33/780518633.db2.gz GZDNZNVPGDNWSC-BDAKNGLRSA-N 2 0 279.362 -1.594 20 0 CAADRP [NH3+]CCS(=O)(=O)NC1CC[NH+](CCO)CC1 ZINC001238523576 780518835 /nfs/dbraw/zinc/51/88/35/780518835.db2.gz PDBKQVNGCONUHY-UHFFFAOYSA-N 2 0 251.352 -1.679 20 0 CAADRP CN1CCC(CNS(=O)(=O)CC[NH3+])([NH+](C)C)CC1 ZINC001238380157 780518946 /nfs/dbraw/zinc/51/89/46/780518946.db2.gz ZIKHFYQVOPZUSK-UHFFFAOYSA-N 2 0 278.422 -1.110 20 0 CAADRP [NH3+]CCS(=O)(=O)NCC1CC[NH+](CCO)CC1 ZINC001238523129 780519013 /nfs/dbraw/zinc/51/90/13/780519013.db2.gz JLHDCTMODUBQSV-UHFFFAOYSA-N 2 0 265.379 -1.431 20 0 CAADRP [NH3+]CCS(=O)(=O)NCCC1(O)CC[NH2+]CC1 ZINC001238395844 780519287 /nfs/dbraw/zinc/51/92/87/780519287.db2.gz LDJPBFZFDNFSKP-UHFFFAOYSA-N 2 0 251.352 -1.631 20 0 CAADRP O=S(=O)(NC1CN(C2CC[NH2+]CC2)C1)[C@@H]1CC[NH2+]C1 ZINC001238476507 780519323 /nfs/dbraw/zinc/51/93/23/780519323.db2.gz ZTIKPNBHKIKCFE-GFCCVEGCSA-N 2 0 288.417 -1.296 20 0 CAADRP [NH3+]CCS(=O)(=O)N[C@@H]1CO[C@@]2(C1)CCC[NH2+]C2 ZINC001238540268 780519485 /nfs/dbraw/zinc/51/94/85/780519485.db2.gz CQCFHYGTAKGGOC-VHSXEESVSA-N 2 0 263.363 -1.224 20 0 CAADRP COC(=O)[C@@H](NS(=O)(=O)CC[NH3+])C1CC[NH2+]CC1 ZINC001238712257 780521429 /nfs/dbraw/zinc/52/14/29/780521429.db2.gz AKBATAYBFNPUFG-VIFPVBQESA-N 2 0 279.362 -1.594 20 0 CAADRP [NH3+]CCS(=O)(=O)NCCN1CCC[C@H](O)C1 ZINC001238681862 780521579 /nfs/dbraw/zinc/52/15/79/780521579.db2.gz RFYBTKYGSKWJBR-VIFPVBQESA-N 2 0 251.352 -1.679 20 0 CAADRP O=S(=O)(N[C@H]1C[NH2+]C[C@@H]1CO)C1CC[NH2+]CC1 ZINC001238647066 780522256 /nfs/dbraw/zinc/52/22/56/780522256.db2.gz VMGDWOQWCHPXBD-SCZZXKLOSA-N 2 0 263.363 -1.762 20 0 CAADRP COC(=O)[C@H](NS(=O)(=O)CC[NH3+])[C@H]1CC[NH2+]C1 ZINC001238897389 780524227 /nfs/dbraw/zinc/52/42/27/780524227.db2.gz KDTUWCFSPSEDHG-JGVFFNPUSA-N 2 0 265.335 -1.984 20 0 CAADRP [NH3+]CCS(=O)(=O)NCCN1CCC([NH3+])CC1 ZINC001238840550 780524317 /nfs/dbraw/zinc/52/43/17/780524317.db2.gz QWQXRZINOWTSHZ-UHFFFAOYSA-N 2 0 250.368 -1.712 20 0 CAADRP O=S(=O)(N[C@@H]1C[NH2+]CC[C@@H]1F)[C@@H]1CC[NH2+]C1 ZINC001238899093 780524429 /nfs/dbraw/zinc/52/44/29/780524429.db2.gz QKNRBYXFDVUHQP-HRDYMLBCSA-N 2 0 251.327 -1.032 20 0 CAADRP O=S(=O)(CC1CC[NH2+]CC1)NC[C@H]1C[NH2+]CCN1 ZINC001238901718 780524580 /nfs/dbraw/zinc/52/45/80/780524580.db2.gz DHWYVUBHGMXSGG-LLVKDONJSA-N 2 0 276.406 -1.533 20 0 CAADRP O=S(=O)(N[C@@H]1C[NH2+]CC[C@H]1F)[C@@H]1CC[NH2+]C1 ZINC001238904475 780524788 /nfs/dbraw/zinc/52/47/88/780524788.db2.gz QKNRBYXFDVUHQP-IWSPIJDZSA-N 2 0 251.327 -1.032 20 0 CAADRP NC(=O)[C@@H]([NH3+])CCCCNS(=O)(=O)[C@@H]1CC[NH2+]C1 ZINC001238839403 780524827 /nfs/dbraw/zinc/52/48/27/780524827.db2.gz REGFVUGYORXKIE-BDAKNGLRSA-N 2 0 278.378 -1.749 20 0 CAADRP COC(=O)[C@@H](NS(=O)(=O)CC[NH3+])[C@@H]1CC[NH2+]C1 ZINC001238897391 780525094 /nfs/dbraw/zinc/52/50/94/780525094.db2.gz KDTUWCFSPSEDHG-SFYZADRCSA-N 2 0 265.335 -1.984 20 0 CAADRP COC(=O)[C@H](CCC[NH3+])NS(=O)(=O)C1CC[NH2+]CC1 ZINC001238840649 780525384 /nfs/dbraw/zinc/52/53/84/780525384.db2.gz UQBJQWGPCXTOOK-JTQLQIEISA-N 2 0 293.389 -1.062 20 0 CAADRP C[NH+]1CCN(C[C@H](O)C[NH2+]CCN2CCNC(=O)C2)CC1 ZINC001261436528 780663970 /nfs/dbraw/zinc/66/39/70/780663970.db2.gz FCKHMRGFZMRCFU-CYBMUJFWSA-N 2 0 299.419 -2.384 20 0 CAADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)[C@]2(C)C[C@@H](O)C[NH2+]2)CCO1 ZINC001262554893 780715901 /nfs/dbraw/zinc/71/59/01/780715901.db2.gz VQQRBXIGIZCNKS-WYFGTUCQSA-N 2 0 257.334 -1.326 20 0 CAADRP CC(C)(O)[C@H]([NH3+])C(=O)NCCCN1CC[NH2+]CC1 ZINC001262554012 780716061 /nfs/dbraw/zinc/71/60/61/780716061.db2.gz PMAZIDRGIBRAIW-SNVBAGLBSA-N 2 0 258.366 -1.504 20 0 CAADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)[C@]2(C)C[C@H](O)C[NH2+]2)CCO1 ZINC001262554890 780716084 /nfs/dbraw/zinc/71/60/84/780716084.db2.gz VQQRBXIGIZCNKS-GMOBBJLQSA-N 2 0 257.334 -1.326 20 0 CAADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)[C@@]2(C)C[C@@H](O)C[NH2+]2)CCO1 ZINC001262554891 780716115 /nfs/dbraw/zinc/71/61/15/780716115.db2.gz VQQRBXIGIZCNKS-MIZYBKAJSA-N 2 0 257.334 -1.326 20 0 CAADRP C[NH2+]CCCCC(=O)NCC(=O)N1CC[NH2+]CC1 ZINC001262554101 780716189 /nfs/dbraw/zinc/71/61/89/780716189.db2.gz SFIQKGJOWRDCAX-UHFFFAOYSA-N 2 0 256.350 -1.076 20 0 CAADRP [NH3+]CCN1CCC[C@H](C(=O)N2CC[C@H](C[NH3+])C2)C1=O ZINC001262553954 780716482 /nfs/dbraw/zinc/71/64/82/780716482.db2.gz OHIYWEGREKEHJN-MNOVXSKESA-N 2 0 268.361 -1.009 20 0 CAADRP [NH3+]C[C@H]1C[C@H](NC(=O)NCCN2CC[NH2+]CC2)C1 ZINC001262583895 780717297 /nfs/dbraw/zinc/71/72/97/780717297.db2.gz LJDQNKBZLRACRO-XYPYZODXSA-N 2 0 255.366 -1.072 20 0 CAADRP O=C(NCCN1CC[NH2+]CC1)N1CCNCC[NH2+]CC1 ZINC001262584265 780717608 /nfs/dbraw/zinc/71/76/08/780717608.db2.gz XDCSAXNLQOHPFL-UHFFFAOYSA-N 2 0 284.408 -1.904 20 0 CAADRP CCN1CC[NH+](C[C@H](C)CNC(=O)CNCC[NH3+])CC1 ZINC001263103240 780719316 /nfs/dbraw/zinc/71/93/16/780719316.db2.gz TVTAWQKSQYJTDY-CYBMUJFWSA-N 2 0 285.436 -1.076 20 0 CAADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)[C@H]([NH3+])CO ZINC001263099243 780719358 /nfs/dbraw/zinc/71/93/58/780719358.db2.gz DDYPLIMMDVVDLT-MNOVXSKESA-N 2 0 286.376 -1.635 20 0 CAADRP C[C@@H]([NH2+]CCCNC(=O)COCC[NH+](C)C)C(N)=O ZINC001171205149 781462042 /nfs/dbraw/zinc/46/20/42/781462042.db2.gz NVCCLRQZZDFBPK-SNVBAGLBSA-N 2 0 274.365 -1.466 20 0 CAADRP [NH3+]C[C@@H](O)CC(=O)NCCCC[NH+]1CCOCC1 ZINC001263095157 780719528 /nfs/dbraw/zinc/71/95/28/780719528.db2.gz FKSDLEWBQCJJOF-NSHDSACASA-N 2 0 259.350 -1.075 20 0 CAADRP COCC[NH+]1CCC(NC(=O)C[C@H](O)C[NH3+])CC1 ZINC001263097117 780719683 /nfs/dbraw/zinc/71/96/83/780719683.db2.gz MZGXMBSZXVHPTF-NSHDSACASA-N 2 0 259.350 -1.077 20 0 CAADRP C[NH2+]C[C@@H](O)[C@@H](C)C(=O)NCCCN1CC[NH+](C)CC1 ZINC001263103365 780719814 /nfs/dbraw/zinc/71/98/14/780719814.db2.gz XFBVVOKCAFPNGK-CHWSQXEVSA-N 2 0 286.420 -1.044 20 0 CAADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)[C@H]([NH3+])CO ZINC001263099242 780720081 /nfs/dbraw/zinc/72/00/81/780720081.db2.gz DDYPLIMMDVVDLT-GHMZBOCLSA-N 2 0 286.376 -1.635 20 0 CAADRP [NH3+][C@H](CO)C(=O)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC001263102123 780720199 /nfs/dbraw/zinc/72/01/99/780720199.db2.gz LPTGLNHKXMIIEO-GHMZBOCLSA-N 2 0 257.334 -1.513 20 0 CAADRP C[C@@H](C(N)=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)COCC[NH+](C)C ZINC001115126830 781912172 /nfs/dbraw/zinc/91/21/72/781912172.db2.gz VTVBIORXIPSNJA-MEWQQHAOSA-N 2 0 298.387 -1.515 20 0 CAADRP C[NH+](C)CCCC(=O)N[C@H]1CC[N@H+](CCO)C[C@@H]1O ZINC001099974187 782845670 /nfs/dbraw/zinc/84/56/70/782845670.db2.gz ODUGGNIZGCURPS-RYUDHWBXSA-N 2 0 273.377 -1.128 20 0 CAADRP CCC[N@H+](C)CC(=O)N[C@H]1CC[NH+](CCO)C[C@@H]1O ZINC001100080126 782851728 /nfs/dbraw/zinc/85/17/28/782851728.db2.gz DURPOJVYQATREV-RYUDHWBXSA-N 2 0 273.377 -1.128 20 0 CAADRP [NH3+]CCN(CC[NH2+]C1CCS(=O)(=O)CC1)N(O)N=O ZINC001256380683 782868097 /nfs/dbraw/zinc/86/80/97/782868097.db2.gz JFOYBNNDDPHXQG-UHFFFAOYSA-N 2 0 295.365 -1.299 20 0 CAADRP C[NH+](C)CCOCC(=O)N[C@@H]1[C@H]2C[N@H+](CCCO)C[C@H]21 ZINC001115125962 782879420 /nfs/dbraw/zinc/87/94/20/782879420.db2.gz FRVGLVRLSJAINO-IMRBUKKESA-N 2 0 285.388 -1.007 20 0 CAADRP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N1C[C@H](C)[NH2+][C@@H](C)C1 ZINC001161231308 782906179 /nfs/dbraw/zinc/90/61/79/782906179.db2.gz HKVPZPNTQBGTHH-XKNYDFJKSA-N 2 0 299.375 -2.097 20 0 CAADRP [NH3+][C@H]1CN(c2nccc(N3CCC([NH3+])CC3)n2)C[C@H]1O ZINC001167093666 775117200 /nfs/dbraw/zinc/11/72/00/775117200.db2.gz YBXODRDUHPSIJH-WDEREUQCSA-N 2 0 278.360 -1.088 20 0 CAADRP [NH3+]C[C@H](O)CC(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000705604216 775122762 /nfs/dbraw/zinc/12/27/62/775122762.db2.gz XQCPVQPLZAIVLG-AXFHLTTASA-N 2 0 257.334 -1.325 20 0 CAADRP [NH3+]C[C@H](O)CC(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000705604221 775123566 /nfs/dbraw/zinc/12/35/66/775123566.db2.gz XQCPVQPLZAIVLG-MXWKQRLJSA-N 2 0 257.334 -1.325 20 0 CAADRP [NH3+]C[C@H](O)CC(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000705604217 775124076 /nfs/dbraw/zinc/12/40/76/775124076.db2.gz XQCPVQPLZAIVLG-GMTAPVOTSA-N 2 0 257.334 -1.325 20 0 CAADRP C[N@H+]1C[C@H]2CN(C(=O)CN3CC[NH2+]CC3)C[C@H]2C1 ZINC000706990593 775167026 /nfs/dbraw/zinc/16/70/26/775167026.db2.gz JJMWINJVFCCOAL-TXEJJXNPSA-N 2 0 252.362 -1.088 20 0 CAADRP CC(=O)OC[C@H]([NH3+])C(=O)N1CC[C@@H](N2CCC([NH3+])CC2)C1 ZINC001161376652 775189570 /nfs/dbraw/zinc/18/95/70/775189570.db2.gz CCMLFEPEUFZRPK-OLZOCXBDSA-N 2 0 298.387 -1.099 20 0 CAADRP C[NH+](C)CCC(=O)N1CC[C@H]([NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001267016535 775195025 /nfs/dbraw/zinc/19/50/25/775195025.db2.gz WYLTULSFZCEJSN-QWRGUYRKSA-N 2 0 296.371 -1.066 20 0 CAADRP COCC[N@H+](C)C[C@H](O)CN1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC000382382045 775196232 /nfs/dbraw/zinc/19/62/32/775196232.db2.gz RNVWLIXNNZQXKW-AGIUHOORSA-N 2 0 275.393 -1.027 20 0 CAADRP COCC[N@H+](C)C[C@H](O)CN1CCO[C@@H]([C@@H](C)[NH3+])C1 ZINC000382382049 775197380 /nfs/dbraw/zinc/19/73/80/775197380.db2.gz RNVWLIXNNZQXKW-FRRDWIJNSA-N 2 0 275.393 -1.027 20 0 CAADRP C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC001161413324 775246855 /nfs/dbraw/zinc/24/68/55/775246855.db2.gz PFFFNVKFCXSECH-MFDAYCCISA-N 2 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C[NH+](C)CCN(C(=O)[C@@H]1C[C@H](O)C[NH2+]1)[C@H]1CCC[NH2+]C1 ZINC001161447603 775283106 /nfs/dbraw/zinc/28/31/06/775283106.db2.gz YFQSGNNSONCMIC-AVGNSLFASA-N 3 0 284.404 -1.149 20 0 CAADRP CC[N@H+](C)C[C@H](O)CN1CCC(O)(C(N)=O)CC1 ZINC000311021120 775288224 /nfs/dbraw/zinc/28/82/24/775288224.db2.gz LSPJZFZIZKDJAR-JTQLQIEISA-N 2 0 259.350 -1.389 20 0 CAADRP O=C(CN1CC[NH2+]CC1)NC[C@]1(O)CC[NH2+]C[C@@H]1F ZINC001219618105 775289245 /nfs/dbraw/zinc/28/92/45/775289245.db2.gz UVPQIMKYYMUURQ-CMPLNLGQSA-N 2 0 274.340 -1.930 20 0 CAADRP O=C(NC[C@]1(O)CC[NH2+]C[C@@H]1F)[C@@H]1C[NH2+]CCCO1 ZINC001219617613 775290592 /nfs/dbraw/zinc/29/05/92/775290592.db2.gz MVVXKZDGMTYMOU-JBLDHEPKSA-N 2 0 275.324 -1.456 20 0 CAADRP [NH3+]CCNC(=O)[C@@H]([NH3+])CCCNC(=O)c1cnccn1 ZINC001219868146 775292616 /nfs/dbraw/zinc/29/26/16/775292616.db2.gz ZFKHLYLVHLBRNH-VIFPVBQESA-N 2 0 280.332 -1.611 20 0 CAADRP O=C(NC1(CCO)COC1)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220173125 775293865 /nfs/dbraw/zinc/29/38/65/775293865.db2.gz JGIYYQUDOBPVBK-VIFPVBQESA-N 2 0 255.318 -1.937 20 0 CAADRP O=C(NC1(CCO)COC1)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220173124 775295000 /nfs/dbraw/zinc/29/50/00/775295000.db2.gz JGIYYQUDOBPVBK-SECBINFHSA-N 2 0 255.318 -1.937 20 0 CAADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)NCc1cn[nH]n1 ZINC001220329607 775296283 /nfs/dbraw/zinc/29/62/83/775296283.db2.gz UUZCFWACQNZWQS-JTQLQIEISA-N 2 0 267.337 -1.829 20 0 CAADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)NCCc1nncs1 ZINC001221015489 775299098 /nfs/dbraw/zinc/29/90/98/775299098.db2.gz JISDQUGQYNNWAY-JTQLQIEISA-N 2 0 298.416 -1.053 20 0 CAADRP C[C@]1(C[NH3+])CCCN(C(=O)[C@H]2COC3(C[NH2+]C3)CN2)C1 ZINC001161488227 775307984 /nfs/dbraw/zinc/30/79/84/775307984.db2.gz BFDLWBYCIKKUPT-DGCLKSJQSA-N 2 0 282.388 -1.096 20 0 CAADRP C[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C)C[NH2+]CC(N)=O ZINC001267982538 775323317 /nfs/dbraw/zinc/32/33/17/775323317.db2.gz WFBJXSLIDYCHIU-VHSXEESVSA-N 2 0 256.350 -1.092 20 0 CAADRP C[N@H+](C1CN(C(=O)[C@H]2C[NH2+]C[C@H]2O)C1)[C@H]1CCOC1 ZINC001161497768 775318599 /nfs/dbraw/zinc/31/85/99/775318599.db2.gz DGGICGJJCOTFID-ZMLRMANQSA-N 2 0 269.345 -1.502 20 0 CAADRP [NH3+][C@H](Cc1cnc[nH]1)C(=O)N1C[C@H]([NH3+])C2(COC2)C1 ZINC001161499791 775319747 /nfs/dbraw/zinc/31/97/47/775319747.db2.gz IIHGDHSTJNASPE-ZJUUUORDSA-N 2 0 265.317 -1.534 20 0 CAADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)N1C[C@@H]([NH3+])C2(COC2)C1 ZINC001161508945 775349797 /nfs/dbraw/zinc/34/97/97/775349797.db2.gz HBUXTBGRKBDDME-VXGBXAGGSA-N 3 0 297.403 -2.077 20 0 CAADRP COCC[NH2+]CC(=O)NCCN1CC[NH+](C)CC1 ZINC000092495657 775356498 /nfs/dbraw/zinc/35/64/98/775356498.db2.gz QGUUNARCOWMJOZ-UHFFFAOYSA-N 2 0 258.366 -1.414 20 0 CAADRP C[NH+]1CC2(CN(C(=O)[C@@H]3C[NH2+]CC34C[NH2+]C4)C2)C1 ZINC001161532614 775357721 /nfs/dbraw/zinc/35/77/21/775357721.db2.gz VSPZRDZLMKZEGG-JTQLQIEISA-N 3 0 250.346 -1.431 20 0 CAADRP O=C(N1CC[NH2+]C2(CC2)C1)[C@@]12C[NH2+]C[C@H]1CCN2 ZINC001161544872 775360327 /nfs/dbraw/zinc/36/03/27/775360327.db2.gz HJGLNKOUALLOJO-ZWNOBZJWSA-N 2 0 250.346 -1.098 20 0 CAADRP O=C(N1CC[NH2+]C2(CC2)C1)[C@]12C[NH2+]C[C@H]1CCN2 ZINC001161544871 775361130 /nfs/dbraw/zinc/36/11/30/775361130.db2.gz HJGLNKOUALLOJO-MFKMUULPSA-N 2 0 250.346 -1.098 20 0 CAADRP COc1c(C2C[NH2+]C2)ncnc1-n1nnc(CC[NH3+])n1 ZINC001167790425 775362095 /nfs/dbraw/zinc/36/20/95/775362095.db2.gz JCLFYZCLMKELBF-UHFFFAOYSA-N 2 0 276.304 -1.351 20 0 CAADRP C[N@@H+]1CCc2ncnc(-n3nnc(CC[NH3+])n3)c2C1 ZINC001167789959 775362689 /nfs/dbraw/zinc/36/26/89/775362689.db2.gz AFDTZEBRGRIFGJ-UHFFFAOYSA-N 2 0 260.305 -1.059 20 0 CAADRP [NH3+]CCc1nnn(-c2cccnc2OC2C[NH2+]C2)n1 ZINC001167791783 775363624 /nfs/dbraw/zinc/36/36/24/775363624.db2.gz KGYPOPUPSSGNRS-UHFFFAOYSA-N 2 0 261.289 -1.091 20 0 CAADRP CN(C(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1)C1C[NH2+]C1 ZINC000652623909 775363655 /nfs/dbraw/zinc/36/36/55/775363655.db2.gz UZZVTWVCSMVOMK-UHFFFAOYSA-N 2 0 294.359 -1.187 20 0 CAADRP [NH3+]CCc1nnn(-c2cnc(O[C@H]3CC[NH2+]C3)nc2)n1 ZINC001167791463 775363870 /nfs/dbraw/zinc/36/38/70/775363870.db2.gz ZQSBCESFWRXRNY-VIFPVBQESA-N 2 0 276.304 -1.306 20 0 CAADRP COc1nc(NC(=[NH2+])NCCCC[NH3+])nc(OC)n1 ZINC001167878707 775386262 /nfs/dbraw/zinc/38/62/62/775386262.db2.gz CAXBZSWYPLCGGO-UHFFFAOYSA-N 2 0 269.309 -1.014 20 0 CAADRP Cn1nc(NC(=[NH2+])NCCCC[NH3+])c(=O)n(C)c1=O ZINC001167882524 775387424 /nfs/dbraw/zinc/38/74/24/775387424.db2.gz UAOWIVLYZXFDBF-UHFFFAOYSA-N 2 0 269.309 -1.846 20 0 CAADRP CN(CCN(C)C(=O)C12CC[NH+](CC1)C2)CC(N)=O ZINC001268254912 775388459 /nfs/dbraw/zinc/38/84/59/775388459.db2.gz HJBFZUSIFVMHMF-UHFFFAOYSA-N 2 0 268.361 -1.042 20 0 CAADRP CC(C)(C(=O)NC[C@@H](O)C[NH2+]CCO)[NH+]1CCCC1 ZINC001268316161 775399976 /nfs/dbraw/zinc/39/99/76/775399976.db2.gz IDFVVBZAWGRRDZ-NSHDSACASA-N 2 0 273.377 -1.080 20 0 CAADRP C[N@@H+]1CC[C@@H](C(=O)NC[C@@H](O)C[NH2+]CCCO)C1 ZINC001268335761 775408572 /nfs/dbraw/zinc/40/85/72/775408572.db2.gz OZVGFLALASIDEY-MNOVXSKESA-N 2 0 259.350 -1.613 20 0 CAADRP [NH3+]C[C@]1(F)CCN(C(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)C1 ZINC001161245354 775415632 /nfs/dbraw/zinc/41/56/32/775415632.db2.gz CVNVCDYMSATIIW-WCQYABFASA-N 2 0 287.383 -1.364 20 0 CAADRP [NH3+]C[C@@]1(F)CCN(C(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)C1 ZINC001161245358 775415888 /nfs/dbraw/zinc/41/58/88/775415888.db2.gz CVNVCDYMSATIIW-YPMHNXCESA-N 2 0 287.383 -1.364 20 0 CAADRP CN(CCC[NH2+]CC(N)=O)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001268947031 775481408 /nfs/dbraw/zinc/48/14/08/775481408.db2.gz YSRQIKZEDLEMNG-JTQLQIEISA-N 2 0 256.350 -1.139 20 0 CAADRP CN(CC(=O)N1CC2(C1)CCN(CC[NH+](C)C)C2)C(N)=[NH2+] ZINC001268997074 775482715 /nfs/dbraw/zinc/48/27/15/775482715.db2.gz UFBBKYSNJCTGRC-UHFFFAOYSA-N 2 0 296.419 -1.092 20 0 CAADRP CN1CCO[C@@H](C(=O)N[C@H](C[NH2+]CCO)C2CC2)C1 ZINC001269055717 775487117 /nfs/dbraw/zinc/48/71/17/775487117.db2.gz FSFMGDACJYZZFK-VXGBXAGGSA-N 2 0 271.361 -1.206 20 0 CAADRP CN1CCO[C@@H](C(=O)N[C@@H](C[NH2+]CCO)C2CC2)C1 ZINC001269055713 775487229 /nfs/dbraw/zinc/48/72/29/775487229.db2.gz FSFMGDACJYZZFK-NWDGAFQWSA-N 2 0 271.361 -1.206 20 0 CAADRP C[N@H+](CCO)CCNC(=O)[C@@]1(C)C[C@H](O)C[NH+]1C ZINC000925004303 775522096 /nfs/dbraw/zinc/52/20/96/775522096.db2.gz VZFIHTAKKJYDJN-CMPLNLGQSA-N 2 0 259.350 -1.518 20 0 CAADRP C[C@H]([NH2+]CCNC(=O)CCc1ncc[nH]1)C(=O)NC(N)=O ZINC001126447647 775523513 /nfs/dbraw/zinc/52/35/13/775523513.db2.gz JAVHYISYLXOKQX-QMMMGPOBSA-N 2 0 296.331 -1.369 20 0 CAADRP C[NH+](C)CCN1C[C@H]2C[C@@H](C1)N2C(=O)[C@@H]1C[C@H](O)C[N@@H+]1C ZINC001272273699 775636978 /nfs/dbraw/zinc/63/69/78/775636978.db2.gz WOPZHDDBYSPEQD-CRWXNKLISA-N 2 0 296.415 -1.102 20 0 CAADRP O=C(N[C@@H]1C[N@H+](CCCO)C[C@@H]1O)[C@@H]1C[NH+]2CCC1CC2 ZINC001083466176 775690161 /nfs/dbraw/zinc/69/01/61/775690161.db2.gz JSVHBETZCZRURG-MCIONIFRSA-N 2 0 297.399 -1.128 20 0 CAADRP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](CCO)C[C@@H]2O)CC[N@@H+]1C ZINC001083474793 775696393 /nfs/dbraw/zinc/69/63/93/775696393.db2.gz ALWRERRDWJLAIN-LOWDOPEQSA-N 2 0 285.388 -1.130 20 0 CAADRP C[C@@H]1[C@H](C(=O)N[C@@H]2C[NH+](CCCO)C[C@@H]2O)CC[N@@H+]1C ZINC001083472270 775697346 /nfs/dbraw/zinc/69/73/46/775697346.db2.gz OUBPLNZZQHDAGF-LPWJVIDDSA-N 2 0 285.388 -1.130 20 0 CAADRP O=C(N[C@@H]1C[N@H+](CCCO)C[C@H]1O)[C@H]1C[NH+]2CCC1CC2 ZINC001077002858 775787997 /nfs/dbraw/zinc/78/79/97/775787997.db2.gz JSVHBETZCZRURG-BFHYXJOUSA-N 2 0 297.399 -1.128 20 0 CAADRP Cc1cncn1CC(=O)N[C@@H]1C[N@H+](C[C@@H](C)O)C[C@@H]1O ZINC001083645402 775841951 /nfs/dbraw/zinc/84/19/51/775841951.db2.gz ZBYDLNJEUWQYQJ-UTUOFQBUSA-N 2 0 282.344 -1.266 20 0 CAADRP Cc1cncn1CC(=O)N[C@@H]1C[N@H+](CCCO)C[C@@H]1O ZINC001083644933 775842393 /nfs/dbraw/zinc/84/23/93/775842393.db2.gz CQKCWQZGMZUYFN-NEPJUHHUSA-N 2 0 282.344 -1.265 20 0 CAADRP [NH3+]C1CCN(CCNC(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)CC1 ZINC001120546801 775880038 /nfs/dbraw/zinc/88/00/38/775880038.db2.gz WLUSTOOJBSRGQE-GDNZZTSVSA-N 2 0 267.377 -1.074 20 0 CAADRP O=C(NCC12CC(C1)C[NH2+]2)N1CCNCC[NH2+]CC1 ZINC001120640946 775883496 /nfs/dbraw/zinc/88/34/96/775883496.db2.gz YBIBXVXAXXOJJV-UHFFFAOYSA-N 2 0 267.377 -1.057 20 0 CAADRP C[C@H](O)C[NH2+]CCN(CCO)C(=O)Cn1ccnc1 ZINC001272322596 775893143 /nfs/dbraw/zinc/89/31/43/775893143.db2.gz STOYYFNWCISHKD-NSHDSACASA-N 2 0 270.333 -1.326 20 0 CAADRP C[NH2+]C[C@H](O)[C@H](C)C(=O)N1CCO[C@H]([C@H](C)[NH3+])C1 ZINC001121901496 775919808 /nfs/dbraw/zinc/91/98/08/775919808.db2.gz SLORNKWTTYREOS-NAKRPEOUSA-N 2 0 259.350 -1.223 20 0 CAADRP C[NH2+]C[C@H](O)[C@H](C)C(=O)N1CCO[C@@H]([C@@H](C)[NH3+])C1 ZINC001121901506 775920063 /nfs/dbraw/zinc/92/00/63/775920063.db2.gz SLORNKWTTYREOS-ZRUFSTJUSA-N 2 0 259.350 -1.223 20 0 CAADRP C[NH2+][C@H](C)CCNC(=O)[C@H]1CC(=O)N(C2C[NH2+]C2)C1 ZINC001121898441 775920101 /nfs/dbraw/zinc/92/01/01/775920101.db2.gz YZRQCFAYXXLRMQ-ZJUUUORDSA-N 2 0 268.361 -1.079 20 0 CAADRP [NH3+]CCNCC(=O)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC001121998116 775927191 /nfs/dbraw/zinc/92/71/91/775927191.db2.gz QBVGIOJCEYBBIF-VXGBXAGGSA-N 2 0 270.377 -1.408 20 0 CAADRP C[N@@H+]1CC[C@@H](CC(=O)NC[C@H](O)C[NH2+]CCO)C1 ZINC001272559186 775933768 /nfs/dbraw/zinc/93/37/68/775933768.db2.gz GXNHWPQAXAZTKW-WDEREUQCSA-N 2 0 259.350 -1.613 20 0 CAADRP C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)NC[C@@H]1COCC[NH2+]1 ZINC001122090080 775934531 /nfs/dbraw/zinc/93/45/31/775934531.db2.gz RGWAJRDEUNGLLF-IJLUTSLNSA-N 2 0 268.361 -1.521 20 0 CAADRP COC(=O)[C@H](C)CN1CC[NH2+]CCNCC[NH2+]CC1 ZINC001235869028 775967838 /nfs/dbraw/zinc/96/78/38/775967838.db2.gz IKGALSJNUOXOJL-GFCCVEGCSA-N 2 0 272.393 -1.120 20 0 CAADRP C[C@@H](O)C[N@H+]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001083749580 775975379 /nfs/dbraw/zinc/97/53/79/775975379.db2.gz HICHZHIGCMDIEC-RTXFEEFZSA-N 2 0 285.388 -1.130 20 0 CAADRP C[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CCO)C[C@@H]2O)CC1 ZINC001083750047 775975460 /nfs/dbraw/zinc/97/54/60/775975460.db2.gz DBAZRNNSAZQCEU-NEPJUHHUSA-N 2 0 271.361 -1.518 20 0 CAADRP NC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001127475440 775985389 /nfs/dbraw/zinc/98/53/89/775985389.db2.gz VPDZAMCCTKAUPM-JTQLQIEISA-N 2 0 297.359 -1.771 20 0 CAADRP C[C@@H]([NH2+]CCNC(=O)[C@H]1C[NH+]2CCC1CC2)C(N)=O ZINC001127466503 775985889 /nfs/dbraw/zinc/98/58/89/775985889.db2.gz QHPOULOXNOWPEG-KOLCDFICSA-N 2 0 268.361 -1.092 20 0 CAADRP CNC(=O)C[NH2+]CCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001127474536 775986772 /nfs/dbraw/zinc/98/67/72/775986772.db2.gz NMIBOIPDJXRYBF-NSHDSACASA-N 2 0 268.361 -1.220 20 0 CAADRP O=C(NCC[NH2+][C@H]1CCNC1=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001127475101 775986794 /nfs/dbraw/zinc/98/67/94/775986794.db2.gz QKHZPIHJMDBASY-NEPJUHHUSA-N 2 0 280.372 -1.078 20 0 CAADRP C[C@@H]([NH2+]CCNC(=O)c1ccn(CC[NH+](C)C)n1)C(N)=O ZINC001127558079 775992731 /nfs/dbraw/zinc/99/27/31/775992731.db2.gz BLUICDJIZIVTNQ-SNVBAGLBSA-N 2 0 296.375 -1.362 20 0 CAADRP CN(C(=O)[C@@H]1C[NH+]2CCC1CC2)[C@H]1C[N@H+](CCO)C[C@@H]1O ZINC001047384300 776002666 /nfs/dbraw/zinc/00/26/66/776002666.db2.gz VQIBUSBCEFSUOD-RDBSUJKOSA-N 2 0 297.399 -1.176 20 0 CAADRP CN(C)C(=O)C[NH2+]CCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001124873043 776015269 /nfs/dbraw/zinc/01/52/69/776015269.db2.gz RRTWWHAATCFZRB-SNVBAGLBSA-N 2 0 256.350 -1.125 20 0 CAADRP CNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001124873029 776016531 /nfs/dbraw/zinc/01/65/31/776016531.db2.gz RMLUSPRKDARWJM-VIFPVBQESA-N 2 0 285.348 -1.758 20 0 CAADRP C[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]CCN1C(=O)CNC1=O ZINC001124879585 776016543 /nfs/dbraw/zinc/01/65/43/776016543.db2.gz WVPNGNOGNRPHNQ-JTQLQIEISA-N 2 0 297.359 -1.662 20 0 CAADRP C[C@@H](O)C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)C23CC[NH+](CC2)C3)C1 ZINC001047599010 776036603 /nfs/dbraw/zinc/03/66/03/776036603.db2.gz YYPIRFGOQPNEKV-AGIUHOORSA-N 2 0 297.399 -1.034 20 0 CAADRP CN(C(=O)[C@H]1CC[NH+](C)C1)[C@H]1C[N@H+](CCCO)C[C@@H]1O ZINC001047628832 776037857 /nfs/dbraw/zinc/03/78/57/776037857.db2.gz LHVHMYRILZHTJO-AVGNSLFASA-N 2 0 285.388 -1.176 20 0 CAADRP CN(C)C(=O)C[NH2+]CCNC(=O)[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001127779578 776040044 /nfs/dbraw/zinc/04/00/44/776040044.db2.gz OHBYDTDWVCGDRA-NWDGAFQWSA-N 2 0 298.387 -1.356 20 0 CAADRP CNC(=O)C[NH2+]CCNC(=O)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001127778430 776040175 /nfs/dbraw/zinc/04/01/75/776040175.db2.gz DUISSKIRMREXKI-MNOVXSKESA-N 2 0 284.360 -1.699 20 0 CAADRP CCNC(=O)C[NH2+]CCNC(=O)[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001127777710 776040215 /nfs/dbraw/zinc/04/02/15/776040215.db2.gz BGLGEZODZYYVJU-NWDGAFQWSA-N 2 0 298.387 -1.309 20 0 CAADRP CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001127777706 776040671 /nfs/dbraw/zinc/04/06/71/776040671.db2.gz BGLGEZODZYYVJU-NEPJUHHUSA-N 2 0 298.387 -1.309 20 0 CAADRP NC(=O)C[NH2+]CCNC(=O)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001127777755 776040990 /nfs/dbraw/zinc/04/09/90/776040990.db2.gz BNMWKLJPCVZCMB-ZJUUUORDSA-N 2 0 270.333 -1.959 20 0 CAADRP O=C(NCC[NH2+]CCCO)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001127760623 776041136 /nfs/dbraw/zinc/04/11/36/776041136.db2.gz NXRCFYCWRLAYGT-VXGBXAGGSA-N 2 0 271.361 -1.062 20 0 CAADRP CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001127777712 776041663 /nfs/dbraw/zinc/04/16/63/776041663.db2.gz BGLGEZODZYYVJU-RYUDHWBXSA-N 2 0 298.387 -1.309 20 0 CAADRP NC(=O)C[NH2+]CCNC(=O)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001127777749 776041799 /nfs/dbraw/zinc/04/17/99/776041799.db2.gz BNMWKLJPCVZCMB-NXEZZACHSA-N 2 0 270.333 -1.959 20 0 CAADRP C[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CCCO)C[C@H]2O)CC1 ZINC001077618217 776048843 /nfs/dbraw/zinc/04/88/43/776048843.db2.gz BQKNABHEUKKTBU-CHWSQXEVSA-N 2 0 285.388 -1.128 20 0 CAADRP O=C(N[C@@H]1C[N@H+](CCCO)C[C@H]1O)C12CC[NH+](CC1)C2 ZINC001078011709 776111716 /nfs/dbraw/zinc/11/17/16/776111716.db2.gz CRMHSHCGYWMXPV-VXGBXAGGSA-N 2 0 283.372 -1.374 20 0 CAADRP C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2C[NH+](CCO)C[C@H]2O)C1 ZINC001078007728 776111930 /nfs/dbraw/zinc/11/19/30/776111930.db2.gz YFCJJEMXLOMOFM-QJPTWQEYSA-N 2 0 271.361 -1.518 20 0 CAADRP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](CCCO)C[C@H]2O)C1 ZINC001078176029 776128691 /nfs/dbraw/zinc/12/86/91/776128691.db2.gz XFQBXGUZHFHGMA-IJLUTSLNSA-N 2 0 271.361 -1.518 20 0 CAADRP CC[NH+](CC)C[C@H](F)C(=O)NCC[NH2+]CC(N)=O ZINC001128534148 776191490 /nfs/dbraw/zinc/19/14/90/776191490.db2.gz WSRDVGNDOINSFR-VIFPVBQESA-N 2 0 262.329 -1.143 20 0 CAADRP CN1CCN(c2ncc(-n3[n-]c(=O)nc3C[NH3+])cn2)CC1 ZINC001168761206 776248081 /nfs/dbraw/zinc/24/80/81/776248081.db2.gz MITAJIMGTDYJOR-UHFFFAOYSA-N 2 0 290.331 -1.027 20 0 CAADRP C[C@@H]([NH3+])[C@@H]1CN(CC(=O)N2CC[NH2+]CC2)CCO1 ZINC001118260733 776282373 /nfs/dbraw/zinc/28/23/73/776282373.db2.gz HFHLLQYKCLUFGO-MNOVXSKESA-N 2 0 256.350 -1.534 20 0 CAADRP [NH3+]C[C@@H]1CC(C(=O)NCC(=O)N2CC[NH2+]CC2)=NO1 ZINC001118568698 776337547 /nfs/dbraw/zinc/33/75/47/776337547.db2.gz FRGKSSNZKYCKFK-QMMMGPOBSA-N 2 0 269.305 -2.362 20 0 CAADRP [NH3+]C[C@H]1CC(C(=O)NCC(=O)N2CC[NH2+]CC2)=NO1 ZINC001118568690 776337986 /nfs/dbraw/zinc/33/79/86/776337986.db2.gz FRGKSSNZKYCKFK-MRVPVSSYSA-N 2 0 269.305 -2.362 20 0 CAADRP CN(c1ncc2c(n1)C[NH2+]CC2)S(=O)(=O)CC[NH3+] ZINC001164287865 776373950 /nfs/dbraw/zinc/37/39/50/776373950.db2.gz XNXJPUZUYIYLNI-UHFFFAOYSA-N 2 0 271.346 -1.153 20 0 CAADRP CO[C@@H]1C[N@H+](CCO)C[C@H]1NC(=O)[C@H]1CC[NH+](C)C1 ZINC001082370265 776412525 /nfs/dbraw/zinc/41/25/25/776412525.db2.gz ZLYCFZZBUSNERA-QJPTWQEYSA-N 2 0 271.361 -1.254 20 0 CAADRP C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1[NH2+]CC(N)=O ZINC001082919873 776425372 /nfs/dbraw/zinc/42/53/72/776425372.db2.gz IPASKLLVXPMBLF-OUAUKWLOSA-N 2 0 268.361 -1.140 20 0 CAADRP [NH3+][C@@H]1CCO[C@@H]1C(=O)NCCCN1CC[NH2+]CC1 ZINC001119292084 776428658 /nfs/dbraw/zinc/42/86/58/776428658.db2.gz YDWLPJOFSSEKRE-MNOVXSKESA-N 2 0 256.350 -1.486 20 0 CAADRP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](CCCO)C[C@@H]2O)C1 ZINC001084054124 776443824 /nfs/dbraw/zinc/44/38/24/776443824.db2.gz XFQBXGUZHFHGMA-UTUOFQBUSA-N 2 0 271.361 -1.518 20 0 CAADRP COCC[N@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)[C@@H](O)C1 ZINC001084053979 776443877 /nfs/dbraw/zinc/44/38/77/776443877.db2.gz RPRIWQKOFJXSQP-TUAOUCFPSA-N 2 0 271.361 -1.254 20 0 CAADRP CN(C)C(=O)CN1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)[C@@H](O)C1 ZINC001084053166 776444265 /nfs/dbraw/zinc/44/42/65/776444265.db2.gz UVRYWYBDYCLKMJ-UTUOFQBUSA-N 2 0 298.387 -1.812 20 0 CAADRP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](CCO)C[C@@H]2O)C1 ZINC001084053940 776444478 /nfs/dbraw/zinc/44/44/78/776444478.db2.gz PWIQIMUIDGTCTL-MXWKQRLJSA-N 2 0 257.334 -1.908 20 0 CAADRP CN1CCO[C@H](C(=O)NCCC[NH2+][C@@H]2CCNC2=O)C1 ZINC001156146363 776513210 /nfs/dbraw/zinc/51/32/10/776513210.db2.gz WZAHBDFGSLQHNP-MNOVXSKESA-N 2 0 284.360 -1.699 20 0 CAADRP CNC(=O)C[NH2+]CCCNC(=O)[C@H]1CN(C)CCO1 ZINC001156145211 776513537 /nfs/dbraw/zinc/51/35/37/776513537.db2.gz KBWPLYDHWIYECE-SNVBAGLBSA-N 2 0 272.349 -1.841 20 0 CAADRP CN1CCO[C@H](C(=O)NCCC[NH2+]CC(=O)NC2CC2)C1 ZINC001156144194 776513945 /nfs/dbraw/zinc/51/39/45/776513945.db2.gz BDRMPWZAWIUNTL-LBPRGKRZSA-N 2 0 298.387 -1.309 20 0 CAADRP [NH3+]Cc1nnnn1-c1cnc(O[C@H]2CC[NH2+]C2)nc1 ZINC001168920344 776517659 /nfs/dbraw/zinc/51/76/59/776517659.db2.gz NVILPYNCQFWXCK-QMMMGPOBSA-N 2 0 262.277 -1.348 20 0 CAADRP [NH3+]Cc1nnnn1-c1cnc(O[C@@H]2CC[NH2+]C2)nc1 ZINC001168920342 776518297 /nfs/dbraw/zinc/51/82/97/776518297.db2.gz NVILPYNCQFWXCK-MRVPVSSYSA-N 2 0 262.277 -1.348 20 0 CAADRP [NH3+]Cc1nnnn1-c1cncc(N2CCC([NH3+])CC2)n1 ZINC001168919294 776518467 /nfs/dbraw/zinc/51/84/67/776518467.db2.gz ZQZDKLJSDQWMBE-UHFFFAOYSA-N 2 0 275.320 -1.162 20 0 CAADRP CC(=O)N1CC[C@H]([NH2+]CCN(CC[NH3+])N(O)N=O)C1 ZINC001169513482 776529828 /nfs/dbraw/zinc/52/98/28/776529828.db2.gz NFWWIIFIIKZXAI-JTQLQIEISA-N 2 0 274.325 -1.255 20 0 CAADRP CN(C)[C@H](Cn1cccn1)C(=O)NCC[NH2+]CCO ZINC001129384928 776548157 /nfs/dbraw/zinc/54/81/57/776548157.db2.gz BAAKUYNKITVCQQ-LLVKDONJSA-N 2 0 269.349 -1.489 20 0 CAADRP CN(C)[C@@H](Cn1cccn1)C(=O)NCC[NH2+]CC(N)=O ZINC001129384932 776548168 /nfs/dbraw/zinc/54/81/68/776548168.db2.gz BEJSJBWSDONCIS-JTQLQIEISA-N 2 0 282.348 -1.996 20 0 CAADRP C[C@H](O)C[NH2+]CCNC(=O)[C@@H](Cn1cccn1)N(C)C ZINC001129384966 776548333 /nfs/dbraw/zinc/54/83/33/776548333.db2.gz BHFZWZLHDDSVDH-NWDGAFQWSA-N 2 0 283.376 -1.100 20 0 CAADRP CN(C)[C@H](Cn1cccn1)C(=O)NCC[NH2+]CC(N)=O ZINC001129384936 776549340 /nfs/dbraw/zinc/54/93/40/776549340.db2.gz BEJSJBWSDONCIS-SNVBAGLBSA-N 2 0 282.348 -1.996 20 0 CAADRP C[C@@H](O)C[NH2+]CCNC(=O)[C@H](Cn1cccn1)N(C)C ZINC001129384962 776549522 /nfs/dbraw/zinc/54/95/22/776549522.db2.gz BHFZWZLHDDSVDH-NEPJUHHUSA-N 2 0 283.376 -1.100 20 0 CAADRP CC(C)[N@H+](C)CC(=O)N[C@@H]1CC[NH+](CCO)C[C@@H]1O ZINC001100132503 776551988 /nfs/dbraw/zinc/55/19/88/776551988.db2.gz UYUHOZYPSSDPAT-NEPJUHHUSA-N 2 0 273.377 -1.130 20 0 CAADRP CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H]1C[NH2+]CC[C@@H]1O ZINC001157323467 776571698 /nfs/dbraw/zinc/57/16/98/776571698.db2.gz RDHACKYIBHUEEZ-VWYCJHECSA-N 2 0 286.376 -1.683 20 0 CAADRP CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC001157323340 776571859 /nfs/dbraw/zinc/57/18/59/776571859.db2.gz HJQDIUFPXXQNMB-ZRUFSTJUSA-N 2 0 268.361 -1.188 20 0 CAADRP CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001157323482 776572042 /nfs/dbraw/zinc/57/20/42/776572042.db2.gz ROEFTGIJTFTZSI-MNOVXSKESA-N 3 0 297.403 -1.845 20 0 CAADRP CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001157324529 776572212 /nfs/dbraw/zinc/57/22/12/776572212.db2.gz ZOMZFKCPZFGUNU-QWRGUYRKSA-N 3 0 287.408 -1.198 20 0 CAADRP CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H]1CCC2(C[NH2+]C2)O1 ZINC001157323663 776572266 /nfs/dbraw/zinc/57/22/66/776572266.db2.gz VEFBIJWAUFGOTK-WDEREUQCSA-N 2 0 298.387 -1.133 20 0 CAADRP [NH3+][C@H]1CN(C(=O)[C@@H]2NC(=O)CC23C[NH2+]C3)C[C@H]1F ZINC001157536702 776585142 /nfs/dbraw/zinc/58/51/42/776585142.db2.gz ONGWXRVVORQZQD-FJXKBIBVSA-N 2 0 256.281 -2.028 20 0 CAADRP CCOC(=O)[C@@H]1C[NH2+]C[C@H]1C(=O)N1CC(C)([NH3+])C1 ZINC001157650588 776592116 /nfs/dbraw/zinc/59/21/16/776592116.db2.gz CIYBAQXNWJFFJM-RKDXNWHRSA-N 2 0 255.318 -1.055 20 0 CAADRP C[NH+](C)C1CN(C(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)C1 ZINC001157681415 776595492 /nfs/dbraw/zinc/59/54/92/776595492.db2.gz GZOIPJOCCXGLHZ-ZWNOBZJWSA-N 3 0 252.362 -1.042 20 0 CAADRP CC(=O)OC[C@H]([NH3+])C(=O)N(C)C[C@@H]1C[NH2+]CCO1 ZINC001157717344 776599814 /nfs/dbraw/zinc/59/98/14/776599814.db2.gz ZQYUETLSXPZVSH-UWVGGRQHSA-N 2 0 259.306 -1.676 20 0 CAADRP O=C([C@@H]1C[NH2+]CC12C[NH2+]C2)N1C[C@H](CO)C[C@H](F)C1 ZINC001157729673 776599954 /nfs/dbraw/zinc/59/99/54/776599954.db2.gz GIFFMGDNUKHKLI-VWYCJHECSA-N 2 0 271.336 -1.026 20 0 CAADRP C[NH+](C)[C@H](C(=O)NCC[NH2+][C@H]1CCC(=O)NC1=O)C1CC1 ZINC001129435780 776620636 /nfs/dbraw/zinc/62/06/36/776620636.db2.gz IXZRGASGRCHVMS-JQWIXIFHSA-N 2 0 296.371 -1.162 20 0 CAADRP CNC(=O)C[NH2+]CCNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001129436488 776620581 /nfs/dbraw/zinc/62/05/81/776620581.db2.gz PRBDHGUMKKGWPX-LLVKDONJSA-N 2 0 256.350 -1.222 20 0 CAADRP C[C@H]([NH2+]CCNC(=O)[C@H](C1CC1)[NH+](C)C)C(N)=O ZINC001129435105 776620592 /nfs/dbraw/zinc/62/05/92/776620592.db2.gz ARCPIYWBJMGBFU-WPRPVWTQSA-N 2 0 256.350 -1.094 20 0 CAADRP C[N@H+](CC(=O)NCC[NH2+][C@H]1CCC(=O)NC1=O)C1CCC1 ZINC001129531581 776620704 /nfs/dbraw/zinc/62/07/04/776620704.db2.gz AELVCHMNEQPDPF-NSHDSACASA-N 2 0 296.371 -1.018 20 0 CAADRP C[NH+](C)[C@H](C(=O)NCC[NH2+][C@H]1CCNC1=O)C1CC1 ZINC001129436544 776620727 /nfs/dbraw/zinc/62/07/27/776620727.db2.gz QUUPCZKGIVINPV-QWRGUYRKSA-N 2 0 268.361 -1.079 20 0 CAADRP C[C@@H]([NH2+]CCNC(=O)[C@H](C1CC1)[NH+](C)C)C(N)=O ZINC001129435103 776620992 /nfs/dbraw/zinc/62/09/92/776620992.db2.gz ARCPIYWBJMGBFU-SCZZXKLOSA-N 2 0 256.350 -1.094 20 0 CAADRP CNC(=O)C[NH2+]CCNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001129436489 776621934 /nfs/dbraw/zinc/62/19/34/776621934.db2.gz PRBDHGUMKKGWPX-NSHDSACASA-N 2 0 256.350 -1.222 20 0 CAADRP C[C@H]([NH2+]CCNC(=O)C[N@H+](C)C1CCC1)C(=O)NC(N)=O ZINC001129535530 776622824 /nfs/dbraw/zinc/62/28/24/776622824.db2.gz WCWKSKMGCPRAGR-VIFPVBQESA-N 2 0 299.375 -1.240 20 0 CAADRP C[NH+](C)CCC(=O)N1C[C@@H]([NH2+]CCO)[C@@H](n2ccnn2)C1 ZINC001129994302 776637037 /nfs/dbraw/zinc/63/70/37/776637037.db2.gz GNRWIVDNLQQKFX-NEPJUHHUSA-N 2 0 296.375 -1.436 20 0 CAADRP CC[C@H](C(=O)NCC[NH2+][C@@H]1CCNC1=O)[NH+](C)C ZINC001130203508 776643705 /nfs/dbraw/zinc/64/37/05/776643705.db2.gz NYGXNNOUDMZZTH-NXEZZACHSA-N 2 0 256.350 -1.079 20 0 CAADRP CNC(=O)C[NH2+]CCNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001130297533 776648603 /nfs/dbraw/zinc/64/86/03/776648603.db2.gz OBXWHYGYTTUFIJ-SNVBAGLBSA-N 2 0 256.350 -1.078 20 0 CAADRP CNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001130297794 776648985 /nfs/dbraw/zinc/64/89/85/776648985.db2.gz SAUFUVYPNLUVLW-JTQLQIEISA-N 2 0 299.375 -1.368 20 0 CAADRP C[C@]1(CO)CCN(C(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)C[C@@H]1O ZINC001157947013 776653619 /nfs/dbraw/zinc/65/36/19/776653619.db2.gz QIADPJZIQCFCNN-GMXVVIOVSA-N 2 0 283.372 -1.613 20 0 CAADRP O=C([C@H]1C[NH2+]C[C@@H]1O)N1CCOC2(CC[NH2+]CC2)C1 ZINC001158076844 776672293 /nfs/dbraw/zinc/67/22/93/776672293.db2.gz NBRBPHWZIBQLMX-QWRGUYRKSA-N 2 0 269.345 -1.452 20 0 CAADRP O=C([C@H]1C[NH2+]C[C@H]1O)N1CCOC2(CC[NH2+]CC2)C1 ZINC001158076845 776672362 /nfs/dbraw/zinc/67/23/62/776672362.db2.gz NBRBPHWZIBQLMX-WDEREUQCSA-N 2 0 269.345 -1.452 20 0 CAADRP N[C@]1(C(=O)N2CC(=O)NC[C@@]23CC[NH2+]C3)CCC[NH2+]C1 ZINC001158102243 776673595 /nfs/dbraw/zinc/67/35/95/776673595.db2.gz PYKRNBCPBNIFKS-QWHCGFSZSA-N 2 0 281.360 -2.242 20 0 CAADRP O=C([C@H]1C[NH2+]CC12C[NH2+]C2)N1CC(=O)NC[C@]12CC[NH2+]C2 ZINC001158093972 776674292 /nfs/dbraw/zinc/67/42/92/776674292.db2.gz ZCLSAPGXLXVCNZ-QMTHXVAHSA-N 3 0 293.371 -2.514 20 0 CAADRP CC(C)(C)OC[C@H]([NH3+])C(=O)N1CC(=O)NC[C@@]12CC[NH2+]C2 ZINC001158100758 776674533 /nfs/dbraw/zinc/67/45/33/776674533.db2.gz BRDQMZBIGVFFIW-HZMBPMFUSA-N 2 0 298.387 -1.181 20 0 CAADRP CS(=O)(=O)N(CC[NH3+])CC(=O)N1CC2CC1(C[NH3+])C2 ZINC001158187491 776680472 /nfs/dbraw/zinc/68/04/72/776680472.db2.gz SCPVEXFCXGINIX-UHFFFAOYSA-N 2 0 290.389 -1.844 20 0 CAADRP C[C@H]([NH2+]CCNC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1)C(N)=O ZINC001131520291 776693218 /nfs/dbraw/zinc/69/32/18/776693218.db2.gz WXKAXKOPKSHSJB-OZAVNUTGSA-N 2 0 296.371 -1.571 20 0 CAADRP C[C@@H](O)C[NH2+]CCNC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001131520483 776693539 /nfs/dbraw/zinc/69/35/39/776693539.db2.gz ZBBBQIOKCSZSLS-JJMZSNKZSA-N 2 0 283.372 -1.064 20 0 CAADRP C[C@H](O)C[NH2+]CCNC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001131520485 776693605 /nfs/dbraw/zinc/69/36/05/776693605.db2.gz ZBBBQIOKCSZSLS-WDBLDGLGSA-N 2 0 283.372 -1.064 20 0 CAADRP C[C@@H]([NH2+]CCNC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1)C(N)=O ZINC001131520288 776693839 /nfs/dbraw/zinc/69/38/39/776693839.db2.gz WXKAXKOPKSHSJB-FQYCYVTBSA-N 2 0 296.371 -1.571 20 0 CAADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)N1CCC[C@H]2[NH2+]C[C@@H]21 ZINC001158425333 776694631 /nfs/dbraw/zinc/69/46/31/776694631.db2.gz WUEBJLRZEFVWHW-XQQFMLRXSA-N 3 0 281.404 -1.300 20 0 CAADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)N1CCC[C@H]2[NH2+]C[C@H]21 ZINC001158425334 776695734 /nfs/dbraw/zinc/69/57/34/776695734.db2.gz WUEBJLRZEFVWHW-YNEHKIRRSA-N 3 0 281.404 -1.300 20 0 CAADRP C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N1CCC[C@@H]2[NH2+]C[C@H]21 ZINC001158424995 776697649 /nfs/dbraw/zinc/69/76/49/776697649.db2.gz VJNRALMJYGQCKM-AATLWQCWSA-N 2 0 270.333 -2.227 20 0 CAADRP CC(=O)OC[C@H]([NH3+])C(=O)N1CC[C@@]23C[NH2+]C[C@@H](C[C@@H]2C1)O3 ZINC001158535099 776710593 /nfs/dbraw/zinc/71/05/93/776710593.db2.gz VIYWDYNJGWKNIT-NRWUCQMLSA-N 2 0 297.355 -1.144 20 0 CAADRP [NH3+][C@@H]1CN[C@H](C(=O)N2CC[C@@]34C[NH2+]C[C@@H](C[C@H]3C2)O4)C1 ZINC001158546789 776713529 /nfs/dbraw/zinc/71/35/29/776713529.db2.gz MBMHCCIVJWDRLC-BYNIDDHOSA-N 2 0 280.372 -1.345 20 0 CAADRP CC(C)(C(=O)NCC[NH2+]CC(=O)NC(N)=O)[NH+]1CCCC1 ZINC001132283844 776718939 /nfs/dbraw/zinc/71/89/39/776718939.db2.gz LGEOAWCCDADKGE-UHFFFAOYSA-N 2 0 299.375 -1.239 20 0 CAADRP CC(C)[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+]CC(N)=O)C1 ZINC001132859298 776751997 /nfs/dbraw/zinc/75/19/97/776751997.db2.gz ZBPXJYOXSQPSNZ-SNVBAGLBSA-N 2 0 272.349 -1.713 20 0 CAADRP CC(C)[N@@H+]1CCO[C@H](C(=O)NCC[NH2+]CC(N)=O)C1 ZINC001132859297 776752124 /nfs/dbraw/zinc/75/21/24/776752124.db2.gz ZBPXJYOXSQPSNZ-JTQLQIEISA-N 2 0 272.349 -1.713 20 0 CAADRP CNC(=O)C[NH2+]CCNC(=O)[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC001132848853 776752318 /nfs/dbraw/zinc/75/23/18/776752318.db2.gz UHJULPOGYORCIX-NSHDSACASA-N 2 0 286.376 -1.453 20 0 CAADRP CC(C)[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+][C@H]2CCNC2=O)C1 ZINC001132858837 776752447 /nfs/dbraw/zinc/75/24/47/776752447.db2.gz LNPYPFWXFFRABT-NWDGAFQWSA-N 2 0 298.387 -1.310 20 0 CAADRP CC(C)[N@@H+]1CCO[C@H](C(=O)NCC[NH2+][C@H](C)C(N)=O)C1 ZINC001132848416 776752658 /nfs/dbraw/zinc/75/26/58/776752658.db2.gz HSAFMBQSUZOVFF-MNOVXSKESA-N 2 0 286.376 -1.325 20 0 CAADRP CC(C)[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+][C@@H](C)C(N)=O)C1 ZINC001132848418 776752960 /nfs/dbraw/zinc/75/29/60/776752960.db2.gz HSAFMBQSUZOVFF-WDEREUQCSA-N 2 0 286.376 -1.325 20 0 CAADRP CC(C)[N@@H+]1CCO[C@H](C(=O)NCC[NH2+][C@H]2CCNC2=O)C1 ZINC001132858838 776753088 /nfs/dbraw/zinc/75/30/88/776753088.db2.gz LNPYPFWXFFRABT-RYUDHWBXSA-N 2 0 298.387 -1.310 20 0 CAADRP C[C@H]1C[C@@H](C(=O)NCC[NH2+]CC(=O)NC(N)=O)CC[N@@H+]1C ZINC001132886394 776753766 /nfs/dbraw/zinc/75/37/66/776753766.db2.gz KOBFTFXFUTVGSU-UWVGGRQHSA-N 2 0 299.375 -1.383 20 0 CAADRP C[NH+](C)CC1(C(=O)NCC[NH2+][C@H]2CCC(=O)NC2=O)CC1 ZINC001132993305 776755612 /nfs/dbraw/zinc/75/56/12/776755612.db2.gz SIXPMBBNICYSGF-JTQLQIEISA-N 2 0 296.371 -1.161 20 0 CAADRP C[NH+](C)CC1(C(=O)NCC[NH2+][C@@H]2CCC(=O)NC2=O)CC1 ZINC001132993306 776756640 /nfs/dbraw/zinc/75/66/40/776756640.db2.gz SIXPMBBNICYSGF-SNVBAGLBSA-N 2 0 296.371 -1.161 20 0 CAADRP C[NH+](C)CCCC(=O)NCC[NH2+]CCN1C(=O)CNC1=O ZINC001133051997 776757222 /nfs/dbraw/zinc/75/72/22/776757222.db2.gz XPNDHWLHORHGRL-UHFFFAOYSA-N 2 0 299.375 -1.414 20 0 CAADRP C[C@H]([NH2+]CCNC(=O)CCC[NH+](C)C)C(=O)NC(N)=O ZINC001133051235 776757613 /nfs/dbraw/zinc/75/76/13/776757613.db2.gz BJBAKVRRZREEPQ-VIFPVBQESA-N 2 0 287.364 -1.383 20 0 CAADRP C[NH+](C)CCC(=O)NCC[NH2+]C[C@@H](O)Cn1cccn1 ZINC001133294288 776775573 /nfs/dbraw/zinc/77/55/73/776775573.db2.gz BFZHFXWZOXHCTE-GFCCVEGCSA-N 2 0 283.376 -1.099 20 0 CAADRP CCOCCNC(=O)C[NH2+]CCNC(=O)CC[NH+](C)C ZINC001133294787 776775915 /nfs/dbraw/zinc/77/59/15/776775915.db2.gz UJBHJFKELAXREG-UHFFFAOYSA-N 2 0 288.392 -1.203 20 0 CAADRP CN(CC[NH2+]CCNC(=O)CC[NH+](C)C)S(C)(=O)=O ZINC001133297647 776776010 /nfs/dbraw/zinc/77/60/10/776776010.db2.gz OJRIBEWVTSNPLO-UHFFFAOYSA-N 2 0 294.421 -1.465 20 0 CAADRP C[NH+](C)CCC(=O)NCC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001133294518 776776051 /nfs/dbraw/zinc/77/60/51/776776051.db2.gz LYMBNDHOMFWVIP-UHFFFAOYSA-N 2 0 299.375 -2.398 20 0 CAADRP C[NH+](C)CCC(=O)NCC[NH2+]CC(=O)NC1CC1 ZINC001133294767 776776120 /nfs/dbraw/zinc/77/61/20/776776120.db2.gz SNROPIIWKWVICD-UHFFFAOYSA-N 2 0 256.350 -1.078 20 0 CAADRP C[NH+](C)CCC(=O)NCC[NH2+]CCN1C(=O)CCC1=O ZINC001133294506 776776633 /nfs/dbraw/zinc/77/66/33/776776633.db2.gz LRIFOWGHUSTHJS-UHFFFAOYSA-N 2 0 284.360 -1.207 20 0 CAADRP C[NH+](C)CCC(=O)NCC[NH2+]CC(=O)N1CCC1 ZINC001133294502 776776722 /nfs/dbraw/zinc/77/67/22/776776722.db2.gz LMBDJRSLPTXFQH-UHFFFAOYSA-N 2 0 256.350 -1.124 20 0 CAADRP CC(C)[C@H](C(=O)NCC[NH2+]CC(=O)NC(N)=O)[NH+](C)C ZINC001133415764 776777706 /nfs/dbraw/zinc/77/77/06/776777706.db2.gz NIXKGOWOSSLQNL-SNVBAGLBSA-N 2 0 287.364 -1.527 20 0 CAADRP CNC(=O)C[NH2+]CCNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001133845469 776789837 /nfs/dbraw/zinc/78/98/37/776789837.db2.gz GPFXFTURQIYWSL-SNVBAGLBSA-N 2 0 256.350 -1.220 20 0 CAADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCC[NH2+]CCOCCO ZINC001133862160 776788934 /nfs/dbraw/zinc/78/89/34/776788934.db2.gz AWESWPYFFHAWND-VXGBXAGGSA-N 2 0 273.377 -1.101 20 0 CAADRP CNC(=O)C[NH2+]CCNC(=O)[C@@H]1C[N@H+](C)C[C@@H]1C ZINC001133863091 776790017 /nfs/dbraw/zinc/79/00/17/776790017.db2.gz JREJEFHHEIHQJF-VHSXEESVSA-N 2 0 256.350 -1.364 20 0 CAADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCC[NH2+]CC(=O)N(C)C ZINC001133863545 776790130 /nfs/dbraw/zinc/79/01/30/776790130.db2.gz NWAKOMWBLQPVDV-GHMZBOCLSA-N 2 0 270.377 -1.022 20 0 CAADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCC[NH2+]CCOCCO ZINC001133862155 776790157 /nfs/dbraw/zinc/79/01/57/776790157.db2.gz AWESWPYFFHAWND-NWDGAFQWSA-N 2 0 273.377 -1.101 20 0 CAADRP CNC(=O)NC(=O)C[NH2+]CCNC(=O)C[N@@H+]1CCC[C@H]1C ZINC001133819679 776790491 /nfs/dbraw/zinc/79/04/91/776790491.db2.gz LCLOBMMWOMJYCV-SNVBAGLBSA-N 2 0 299.375 -1.368 20 0 CAADRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCC[NH2+]CCN1CCNC1=O ZINC001133863071 776790662 /nfs/dbraw/zinc/79/06/62/776790662.db2.gz JBWYDOIZMHOFAA-RYUDHWBXSA-N 2 0 297.403 -1.085 20 0 CAADRP C[C@@H]1CC[N@H+](CC(=O)NCC[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001133846264 776790689 /nfs/dbraw/zinc/79/06/89/776790689.db2.gz XNQNQOHGMQEBNC-GHMZBOCLSA-N 2 0 296.371 -1.161 20 0 CAADRP C[C@@H]1CC[N@H+](CC(=O)NCC[NH2+][C@H]2CCNC2=O)C1 ZINC001133845757 776790710 /nfs/dbraw/zinc/79/07/10/776790710.db2.gz MRNJEJOGSDMTIL-MNOVXSKESA-N 2 0 268.361 -1.078 20 0 CAADRP C[C@@H]1CCC[N@@H+]1CC(=O)NCC[NH2+][C@H]1CCC(=O)NC1=O ZINC001133819877 776790737 /nfs/dbraw/zinc/79/07/37/776790737.db2.gz QCAQUTCPQQSJQC-MNOVXSKESA-N 2 0 296.371 -1.018 20 0 CAADRP C[C@@H]([NH2+]CCNC(=O)C[N@@H+]1CC[C@@H](C)C1)C(=O)NC(N)=O ZINC001133851036 776790880 /nfs/dbraw/zinc/79/08/80/776790880.db2.gz VHSJDUUIUUXDQI-NXEZZACHSA-N 2 0 299.375 -1.383 20 0 CAADRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCC[NH2+]CCS(C)(=O)=O ZINC001133870953 776791600 /nfs/dbraw/zinc/79/16/00/776791600.db2.gz XWHKGDUFXTVRSD-QWRGUYRKSA-N 2 0 291.417 -1.066 20 0 CAADRP C[NH+]1CCC(CC(=O)NCC[NH2+]CC(=O)NC(N)=O)CC1 ZINC001134780652 776827227 /nfs/dbraw/zinc/82/72/27/776827227.db2.gz QCZAWDUBFXWPRR-UHFFFAOYSA-N 2 0 299.375 -1.381 20 0 CAADRP OC[C@@H]1C[NH2+]C[C@@H]1Nc1nccc(N2CC[NH2+]CC2)n1 ZINC001170771625 776827290 /nfs/dbraw/zinc/82/72/90/776827290.db2.gz DFPUSSBEXQYQNP-QWRGUYRKSA-N 2 0 278.360 -1.122 20 0 CAADRP OC[C@H]1C[NH2+]C[C@H]1Nc1ccnc(N2CC[NH2+]CC2)n1 ZINC001170771078 776827872 /nfs/dbraw/zinc/82/78/72/776827872.db2.gz BENOMCBDZPSAFK-GHMZBOCLSA-N 2 0 278.360 -1.122 20 0 CAADRP OC[C@H]1C[NH2+]C[C@@H]1Nc1nccc(N2CC[NH2+]CC2)n1 ZINC001170771624 776827939 /nfs/dbraw/zinc/82/79/39/776827939.db2.gz DFPUSSBEXQYQNP-MNOVXSKESA-N 2 0 278.360 -1.122 20 0 CAADRP OC[C@H]1C[NH2+]C[C@H]1Nc1nccc(N2CC[NH2+]CC2)n1 ZINC001170771623 776828016 /nfs/dbraw/zinc/82/80/16/776828016.db2.gz DFPUSSBEXQYQNP-GHMZBOCLSA-N 2 0 278.360 -1.122 20 0 CAADRP CNC(=O)C[NH2+]CCNC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001135114409 776835966 /nfs/dbraw/zinc/83/59/66/776835966.db2.gz CLGOHMDZKYEJCX-UHFFFAOYSA-N 2 0 296.375 -1.490 20 0 CAADRP C[C@H]([NH2+]CCNC(=O)c1cnn(CC[NH+](C)C)c1)C(N)=O ZINC001135119197 776838400 /nfs/dbraw/zinc/83/84/00/776838400.db2.gz YXLKTKYSZAXWQV-JTQLQIEISA-N 2 0 296.375 -1.362 20 0 CAADRP O=C(NC[C@H](CO)[NH2+]CCCO)C12CC[NH+](CC1)C2 ZINC001283816443 777920459 /nfs/dbraw/zinc/92/04/59/777920459.db2.gz JIVRBNPDSDZLIH-LLVKDONJSA-N 2 0 271.361 -1.469 20 0 CAADRP C[N@@H+]1CC[C@@H](C(=O)NC[C@@H](CO)[NH2+]CC(N)=O)C1 ZINC001283827093 777922406 /nfs/dbraw/zinc/92/24/06/777922406.db2.gz HIVKBUMDUTXXOQ-BDAKNGLRSA-N 2 0 258.322 -2.510 20 0 CAADRP C[N@@H+]1CC[C@H](C(=O)NC[C@H](CO)[NH2+]CC(N)=O)C1 ZINC001283827094 777922636 /nfs/dbraw/zinc/92/26/36/777922636.db2.gz HIVKBUMDUTXXOQ-DTWKUNHWSA-N 2 0 258.322 -2.510 20 0 CAADRP C[N@@H+]1CC[C@H](C(=O)NC[C@@H](CO)[NH2+]CC(N)=O)C1 ZINC001283827095 777922724 /nfs/dbraw/zinc/92/27/24/777922724.db2.gz HIVKBUMDUTXXOQ-IUCAKERBSA-N 2 0 258.322 -2.510 20 0 CAADRP C[N@@H+]1CC[C@@H](C(=O)NC[C@H](CO)[NH2+]CC(N)=O)C1 ZINC001283827096 777922743 /nfs/dbraw/zinc/92/27/43/777922743.db2.gz HIVKBUMDUTXXOQ-RKDXNWHRSA-N 2 0 258.322 -2.510 20 0 CAADRP CC(C)[C@H](C(=O)N(C)C[C@@H](O)C[NH2+]CCO)[NH+](C)C ZINC001284444065 777942064 /nfs/dbraw/zinc/94/20/64/777942064.db2.gz HZHYAOJRUPCORZ-NWDGAFQWSA-N 2 0 275.393 -1.026 20 0 CAADRP COCC[N@@H+]1CC[C@H](NC(=O)CNC(=O)C[NH3+])C1 ZINC001118133761 779548615 /nfs/dbraw/zinc/54/86/15/779548615.db2.gz BJFNIKIQYRJMLC-VIFPVBQESA-N 2 0 258.322 -2.102 20 0 CAADRP C[NH+]1CCN(C[C@H](O)C[NH2+]C[C@@H](O)C2CC2)CC1 ZINC001118179463 779550832 /nfs/dbraw/zinc/55/08/32/779550832.db2.gz VEDVZMNMDBOJEM-CHWSQXEVSA-N 2 0 257.378 -1.045 20 0 CAADRP CO[C@H](C[NH3+])CC(=O)NCCCN1CC[NH2+]CC1 ZINC001118200598 779552720 /nfs/dbraw/zinc/55/27/20/779552720.db2.gz MJAMNAVUJJZNFL-NSHDSACASA-N 2 0 258.366 -1.238 20 0 CAADRP O=C(CNC(=O)[C@H]1C[NH2+]CCO1)N1CC[NH2+]CC1 ZINC001118203908 779552997 /nfs/dbraw/zinc/55/29/97/779552997.db2.gz ZORRNNQSUCGCHO-SECBINFHSA-N 2 0 256.306 -2.477 20 0 CAADRP [NH3+]CC[C@@H](NC(=O)CNC(=O)C[NH3+])C(F)(F)F ZINC001118226197 779554541 /nfs/dbraw/zinc/55/45/41/779554541.db2.gz FQZWZTLMTHLTCP-RXMQYKEDSA-N 2 0 256.228 -1.543 20 0 CAADRP [NH3+]CCCCn1cc(C(=O)NC[C@H]2C[NH2+]CCO2)nn1 ZINC001118229209 779555990 /nfs/dbraw/zinc/55/59/90/779555990.db2.gz YKZFDBQSHIIPRA-SNVBAGLBSA-N 2 0 282.348 -1.265 20 0 CAADRP O=C(CN1CCN([C@@H]2CC[NH2+]C2)CC1)N1CC[NH2+]CC1 ZINC001118263709 779558266 /nfs/dbraw/zinc/55/82/66/779558266.db2.gz LIGNVSDMWLGQRW-CYBMUJFWSA-N 2 0 281.404 -1.602 20 0 CAADRP CC[NH2+]CC1CCN(C(=O)CNC(=O)C[NH3+])CC1 ZINC001118259284 779558414 /nfs/dbraw/zinc/55/84/14/779558414.db2.gz UAQWSQNKBPZBJH-UHFFFAOYSA-N 2 0 256.350 -1.091 20 0 CAADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC001118283780 779559945 /nfs/dbraw/zinc/55/99/45/779559945.db2.gz GHZHLCGFQNBCJV-WYUUTHIRSA-N 2 0 252.362 -1.186 20 0 CAADRP C[NH+](C)CC[C@@H](N)C(=O)NCCN1CC[NH2+]CC1 ZINC001118278024 779560408 /nfs/dbraw/zinc/56/04/08/779560408.db2.gz PTARURUSWSZMNG-LLVKDONJSA-N 2 0 257.382 -1.713 20 0 CAADRP O[C@@H]1C[C@H]2CN(CCN3CC[NH2+]CC3)CC[N@@H+]2C1 ZINC001118390635 779568869 /nfs/dbraw/zinc/56/88/69/779568869.db2.gz WXNZBPUDKWOTSG-QWHCGFSZSA-N 2 0 254.378 -1.358 20 0 CAADRP [NH3+]C[C@@H]1OCC[C@H]1C(=O)N1CCCO[C@H](C[NH3+])C1 ZINC001118505735 779571836 /nfs/dbraw/zinc/57/18/36/779571836.db2.gz HHFUWRWKAQEIGX-MXWKQRLJSA-N 2 0 257.334 -1.074 20 0 CAADRP CN(CC(C)(C)[NH3+])C(=O)C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC001118547923 779574027 /nfs/dbraw/zinc/57/40/27/779574027.db2.gz AENBOBPLMNDYEV-LLVKDONJSA-N 2 0 299.419 -1.456 20 0 CAADRP [NH3+]CCCNC(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC001118544123 779574297 /nfs/dbraw/zinc/57/42/97/779574297.db2.gz DNWIJWJYEBAXNI-UHFFFAOYSA-N 2 0 254.294 -1.211 20 0 CAADRP [NH3+]CCn1cc(C(=O)N[C@@H](C[NH3+])C(F)(F)F)nn1 ZINC001118545775 779574434 /nfs/dbraw/zinc/57/44/34/779574434.db2.gz OFDDYZPIVHFFPD-LURJTMIESA-N 2 0 266.227 -1.144 20 0 CAADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)N[C@@H]1CC[NH2+]C1 ZINC001118862671 779590433 /nfs/dbraw/zinc/59/04/33/779590433.db2.gz UQTCQMIAUNRJAC-GHMZBOCLSA-N 2 0 255.366 -1.107 20 0 CAADRP C[NH2+]C[C@@H](C)CNC(=O)[C@@]1(COC)C[NH2+]CCO1 ZINC001119234837 779608637 /nfs/dbraw/zinc/60/86/37/779608637.db2.gz GJFPDEAACYIPIT-PWSUYJOCSA-N 2 0 259.350 -1.037 20 0 CAADRP COC[C@@H](C)OC[C@@H](O)CN1CC[NH2+]CC[NH2+]CC1 ZINC001119619303 779619646 /nfs/dbraw/zinc/61/96/46/779619646.db2.gz YRNKHSJWIGJRNB-OLZOCXBDSA-N 2 0 275.393 -1.106 20 0 CAADRP COC[C@H](C)OC[C@H](O)CN1CC[NH2+]CC[NH2+]CC1 ZINC001119619304 779619860 /nfs/dbraw/zinc/61/98/60/779619860.db2.gz YRNKHSJWIGJRNB-QWHCGFSZSA-N 2 0 275.393 -1.106 20 0 CAADRP [NH3+]CCN(CCO)Cc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC001119610794 779619969 /nfs/dbraw/zinc/61/99/69/779619969.db2.gz GVIFSCXWKUSVLA-LLVKDONJSA-N 2 0 268.365 -1.044 20 0 CAADRP CCO[C@@H](CNC(=O)C(=O)N(C)CC[NH2+]C)C[NH+](C)C ZINC001120442837 779637610 /nfs/dbraw/zinc/63/76/10/779637610.db2.gz GNSJXBPKZHFXKI-NSHDSACASA-N 2 0 288.392 -1.253 20 0 CAADRP CN1CC[NH2+]C[C@H]1C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC001120546394 779641499 /nfs/dbraw/zinc/64/14/99/779641499.db2.gz AZMMDDBXMPCUOU-JTQLQIEISA-N 2 0 269.349 -2.562 20 0 CAADRP C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)N(C)CCN1CC[NH2+]CC1 ZINC001121810632 779650732 /nfs/dbraw/zinc/65/07/32/779650732.db2.gz LQAKCNDEAJYRIW-KGLIPLIRSA-N 2 0 295.431 -1.262 20 0 CAADRP [NH3+]CCNCC(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC001121936469 779652610 /nfs/dbraw/zinc/65/26/10/779652610.db2.gz LMDSIIBXZJKZNA-SECBINFHSA-N 2 0 297.325 -1.513 20 0 CAADRP COCC[N@H+](C)CCCNC(=O)[C@H]1C[NH2+]CCN1C ZINC001121908603 779653133 /nfs/dbraw/zinc/65/31/33/779653133.db2.gz ANIBRMCEUCFYOW-GFCCVEGCSA-N 2 0 272.393 -1.026 20 0 CAADRP C[NH+](C)CCCNC(=O)[C@H]1CC(=O)N(C2C[NH2+]C2)C1 ZINC001121898043 779653207 /nfs/dbraw/zinc/65/32/07/779653207.db2.gz UNWYIJLQWSDQEK-JTQLQIEISA-N 2 0 268.361 -1.125 20 0 CAADRP COCC[N@H+](C)CCCNC(=O)[C@@H]1C[NH2+]CCN1C ZINC001121908604 779653214 /nfs/dbraw/zinc/65/32/14/779653214.db2.gz ANIBRMCEUCFYOW-LBPRGKRZSA-N 2 0 272.393 -1.026 20 0 CAADRP [NH3+]C[C@H]1CN(C(=O)C[C@]2(O)CCC[NH2+]C2)CCO1 ZINC001122014992 779654792 /nfs/dbraw/zinc/65/47/92/779654792.db2.gz IUHHTOAZQXGONQ-CMPLNLGQSA-N 2 0 257.334 -1.323 20 0 CAADRP COCC[NH2+]CCNC(=O)[C@@H]1CC(=O)N(C2C[NH2+]C2)C1 ZINC001122010538 779654832 /nfs/dbraw/zinc/65/48/32/779654832.db2.gz SMNNMFYYUNIGFC-SNVBAGLBSA-N 2 0 284.360 -1.841 20 0 CAADRP CC[NH+]1CCN(CCCNC(=O)[C@H]([NH3+])CO)CC1 ZINC001122010006 779654893 /nfs/dbraw/zinc/65/48/93/779654893.db2.gz ZPKYNAQXGLISCB-LLVKDONJSA-N 2 0 258.366 -1.550 20 0 CAADRP C[C@H]1CN2CC[N@@H+]1C[C@H]2C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001122022734 779654928 /nfs/dbraw/zinc/65/49/28/779654928.db2.gz VJDHCADSLXTTCV-HHHUOAJASA-N 2 0 250.346 -1.291 20 0 CAADRP [NH3+]C[C@H](O)CC(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC001122020611 779655087 /nfs/dbraw/zinc/65/50/87/779655087.db2.gz IGELNJSIUTULRF-WDEREUQCSA-N 2 0 256.350 -1.798 20 0 CAADRP C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001122022736 779655104 /nfs/dbraw/zinc/65/51/04/779655104.db2.gz VJDHCADSLXTTCV-ZIQFBCGOSA-N 2 0 250.346 -1.291 20 0 CAADRP [NH3+]C[C@@H]1CN(C(=O)C[C@@]2(O)CCC[NH2+]C2)CCO1 ZINC001122014996 779655130 /nfs/dbraw/zinc/65/51/30/779655130.db2.gz IUHHTOAZQXGONQ-PWSUYJOCSA-N 2 0 257.334 -1.323 20 0 CAADRP [NH3+]C[C@H](O)CC(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC001122020608 779655151 /nfs/dbraw/zinc/65/51/51/779655151.db2.gz IGELNJSIUTULRF-GHMZBOCLSA-N 2 0 256.350 -1.798 20 0 CAADRP [NH3+]C1(CNC(=O)[C@@H]2CC(=O)N(C3C[NH2+]C3)C2)CCC1 ZINC001122011602 779655245 /nfs/dbraw/zinc/65/52/45/779655245.db2.gz SHJGLYDIYDZZOD-SECBINFHSA-N 2 0 266.345 -1.196 20 0 CAADRP [NH3+]C[C@@H](O)CC(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC001122020610 779655356 /nfs/dbraw/zinc/65/53/56/779655356.db2.gz IGELNJSIUTULRF-QWRGUYRKSA-N 2 0 256.350 -1.798 20 0 CAADRP C[NH+](C)CCOCCNC(=O)[C@@]1(C)C[C@H](O)C[NH2+]1 ZINC001122041013 779655431 /nfs/dbraw/zinc/65/54/31/779655431.db2.gz HQMDWJOAPGHVOX-CMPLNLGQSA-N 2 0 259.350 -1.206 20 0 CAADRP COCCC[N@H+](C)CCNC(=O)[C@@H]1C[NH2+]CCN1C ZINC001122002793 779655649 /nfs/dbraw/zinc/65/56/49/779655649.db2.gz KOJIXOYVVZWTFV-LBPRGKRZSA-N 2 0 272.393 -1.026 20 0 CAADRP C[NH2+]C[C@H](O)[C@@H](C)C(=O)N1CCCO[C@H](C[NH3+])C1 ZINC001122070810 779656286 /nfs/dbraw/zinc/65/62/86/779656286.db2.gz ZIONRGKTGIUQEU-MXWKQRLJSA-N 2 0 259.350 -1.221 20 0 CAADRP O=C(NCC1(O)C[NH2+]C1)[C@@H]1CC(=O)N(C2C[NH2+]C2)C1 ZINC001122056360 779656494 /nfs/dbraw/zinc/65/64/94/779656494.db2.gz SPCXHLIAFHPXNV-MRVPVSSYSA-N 2 0 268.317 -2.743 20 0 CAADRP C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)NC[C@H]1COCC[NH2+]1 ZINC001122090079 779657139 /nfs/dbraw/zinc/65/71/39/779657139.db2.gz RGWAJRDEUNGLLF-GRYCIOLGSA-N 2 0 268.361 -1.521 20 0 CAADRP O=C(C[C@@]1(O)CCC[NH2+]C1)NC[C@H]1COCC[NH2+]1 ZINC001122090320 779657193 /nfs/dbraw/zinc/65/71/93/779657193.db2.gz VLJVRVZTUIXXCB-JQWIXIFHSA-N 2 0 257.334 -1.404 20 0 CAADRP C[NH2+]CCOCCN(C)C(=O)[C@@H]1C[NH2+]CCN1C ZINC001122089136 779657394 /nfs/dbraw/zinc/65/73/94/779657394.db2.gz GEUAJDDVIAHUKX-NSHDSACASA-N 2 0 258.366 -1.416 20 0 CAADRP O=C(NC[C@@H]1COCC[NH2+]1)[C@@H]1[NH2+]CC12CCOCC2 ZINC001122089915 779657615 /nfs/dbraw/zinc/65/76/15/779657615.db2.gz POTQJEHRMHHCFY-MNOVXSKESA-N 2 0 269.345 -1.140 20 0 CAADRP C[C@]1(C(=O)N2CCOC3(C[NH2+]C3)C2)C[C@@H](O)C[NH2+]1 ZINC001122081372 779657687 /nfs/dbraw/zinc/65/76/87/779657687.db2.gz BUEFKBSFOQGWAE-MWLCHTKSSA-N 2 0 255.318 -1.700 20 0 CAADRP COCC[C@H]([NH3+])C(=O)N1CCC[C@H]([NH2+]CCO)C1 ZINC001122094620 779657706 /nfs/dbraw/zinc/65/77/06/779657706.db2.gz OJXICRVFXSDOMB-QWRGUYRKSA-N 2 0 259.350 -1.077 20 0 CAADRP C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)NCCOCCC[NH3+] ZINC001122095305 779657903 /nfs/dbraw/zinc/65/79/03/779657903.db2.gz AZLFRTUAKZUBTM-VXGBXAGGSA-N 2 0 270.377 -1.144 20 0 CAADRP C[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]([NH2+]C)c1cnn(C)c1 ZINC001122100473 779658319 /nfs/dbraw/zinc/65/83/19/779658319.db2.gz RQHSSQKGMPTKLC-GHMZBOCLSA-N 2 0 269.349 -1.281 20 0 CAADRP C[NH2+]C[C@@H](O)CN(C)C(=O)[C@]1(C[NH3+])CCCOC1 ZINC001122100201 779658630 /nfs/dbraw/zinc/65/86/30/779658630.db2.gz NKMNIMKHGXYLEP-PWSUYJOCSA-N 2 0 259.350 -1.219 20 0 CAADRP [NH3+][C@H]1C[C@H](CNC(=O)[C@H]2CC(=O)N(C3C[NH2+]C3)C2)C1 ZINC001122108038 779658767 /nfs/dbraw/zinc/65/87/67/779658767.db2.gz MFCCYUCIJZAKRK-GUBZILKMSA-N 2 0 266.345 -1.340 20 0 CAADRP C[NH2+]C[C@H](O)CN(C)C(=O)[C@]1(C[NH3+])CCCOC1 ZINC001122100200 779658774 /nfs/dbraw/zinc/65/87/74/779658774.db2.gz NKMNIMKHGXYLEP-JQWIXIFHSA-N 2 0 259.350 -1.219 20 0 CAADRP COCC[NH2+]CC(=O)N1NC(=O)C[C@@]12CC[NH2+]C2 ZINC001122108450 779658862 /nfs/dbraw/zinc/65/88/62/779658862.db2.gz FQVAXPXXBOOBKR-LLVKDONJSA-N 2 0 256.306 -1.782 20 0 CAADRP C[NH2+]CC(=O)N1C[C@@H]2C[C@@H]([NH3+])C[C@]2(C(=O)OC)C1 ZINC001122146380 779660034 /nfs/dbraw/zinc/66/00/34/779660034.db2.gz YJNSUUUITNIXOZ-SBMIAAHKSA-N 2 0 255.318 -1.055 20 0 CAADRP O=C([C@H]1[NH2+]CC12CCOCC2)N1CCNCC[NH2+]CC1 ZINC001122200373 779660579 /nfs/dbraw/zinc/66/05/79/779660579.db2.gz ICBMXHHCUXENQP-GFCCVEGCSA-N 2 0 282.388 -1.224 20 0 CAADRP CC1(C)C[NH2+]C[C@H]1NC(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC001122276528 779662977 /nfs/dbraw/zinc/66/29/77/779662977.db2.gz NSKZFSYKBKOKJJ-NXEZZACHSA-N 2 0 268.361 -1.031 20 0 CAADRP C[C@]1(C(=O)N2CCNCC[NH2+]CC2)C[C@H](O)C[NH2+]1 ZINC001122288600 779663074 /nfs/dbraw/zinc/66/30/74/779663074.db2.gz LWJFAKOXLRPIRW-CMPLNLGQSA-N 2 0 256.350 -1.879 20 0 CAADRP C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)N1CCNCC[NH2+]CC1 ZINC001122288650 779663075 /nfs/dbraw/zinc/66/30/75/779663075.db2.gz NCFBFJGBCNZRLU-CHWSQXEVSA-N 2 0 281.404 -1.604 20 0 CAADRP CC1(C)C[NH2+]C[C@@H]1NC(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC001122276530 779663080 /nfs/dbraw/zinc/66/30/80/779663080.db2.gz NSKZFSYKBKOKJJ-UWVGGRQHSA-N 2 0 268.361 -1.031 20 0 CAADRP C[C@@]1(C(=O)N2CCNCC[NH2+]CC2)C[C@H](O)C[NH2+]1 ZINC001122288601 779663114 /nfs/dbraw/zinc/66/31/14/779663114.db2.gz LWJFAKOXLRPIRW-JQWIXIFHSA-N 2 0 256.350 -1.879 20 0 CAADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CCNCC[NH2+]CC1 ZINC001122287891 779663137 /nfs/dbraw/zinc/66/31/37/779663137.db2.gz JUTCITZYJRGXOX-LBPRGKRZSA-N 2 0 285.392 -1.893 20 0 CAADRP [NH3+]C[C@]1(C(=O)N2CCNCC[NH2+]CC2)CCCOC1 ZINC001122288732 779663222 /nfs/dbraw/zinc/66/32/22/779663222.db2.gz ZJSRWRGICBBNCY-CYBMUJFWSA-N 2 0 270.377 -1.237 20 0 CAADRP C[C@@]1(C(=O)N2CCNCC[NH2+]CC2)C[C@@H](O)C[NH2+]1 ZINC001122288602 779663264 /nfs/dbraw/zinc/66/32/64/779663264.db2.gz LWJFAKOXLRPIRW-PWSUYJOCSA-N 2 0 256.350 -1.879 20 0 CAADRP C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)N1CCNCC[NH2+]CC1 ZINC001122288743 779663302 /nfs/dbraw/zinc/66/33/02/779663302.db2.gz NCFBFJGBCNZRLU-OLZOCXBDSA-N 2 0 281.404 -1.604 20 0 CAADRP [NH3+]C1(CNC(=O)[C@H]2CC(=O)N(C3C[NH2+]C3)C2)CC1 ZINC001122349847 779665141 /nfs/dbraw/zinc/66/51/41/779665141.db2.gz WTZHUHZPFCXLPC-QMMMGPOBSA-N 2 0 252.318 -1.586 20 0 CAADRP O=C(N1CC[C@H]2[C@H]1CCC[N@H+]2CCO)C1(O)C[NH2+]C1 ZINC001122442455 779668886 /nfs/dbraw/zinc/66/88/86/779668886.db2.gz PLMDNIIUCYSIOH-WDEREUQCSA-N 2 0 269.345 -1.622 20 0 CAADRP CO[C@@H](C[NH3+])C(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCN1C ZINC001122449682 779668910 /nfs/dbraw/zinc/66/89/10/779668910.db2.gz WPKMRRMFJVNEOS-AXFHLTTASA-N 2 0 258.366 -1.289 20 0 CAADRP C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)NCCN1CC[NH+](C)CC1 ZINC001123484348 779689249 /nfs/dbraw/zinc/68/92/49/779689249.db2.gz RRGJLJXIPJNBIX-KGLIPLIRSA-N 2 0 295.431 -1.262 20 0 CAADRP C[C@H]1CN2CC[N@@H+]1C[C@H]2C(=O)NCCN1CC[NH+](C)CC1 ZINC001123484347 779689286 /nfs/dbraw/zinc/68/92/86/779689286.db2.gz RRGJLJXIPJNBIX-KBPBESRZSA-N 2 0 295.431 -1.262 20 0 CAADRP C[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]CCNS(C)(=O)=O ZINC001124878540 779718850 /nfs/dbraw/zinc/71/88/50/779718850.db2.gz NKIBEZNJEPKXBP-JTQLQIEISA-N 2 0 292.405 -1.664 20 0 CAADRP C[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]CC(=O)NC(N)=O ZINC001124873282 779719009 /nfs/dbraw/zinc/71/90/09/779719009.db2.gz VLWKUECLVBLIAC-QMMMGPOBSA-N 2 0 271.321 -2.019 20 0 CAADRP C[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]CCOCCO ZINC001124878458 779719040 /nfs/dbraw/zinc/71/90/40/779719040.db2.gz MSNSBNCPXRAHAK-NSHDSACASA-N 2 0 259.350 -1.205 20 0 CAADRP C[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]CCN1C(=O)CCC1=O ZINC001124867463 779719461 /nfs/dbraw/zinc/71/94/61/779719461.db2.gz WCGAYTZWDZAUTP-NSHDSACASA-N 2 0 296.371 -1.065 20 0 CAADRP CNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001124867727 779719530 /nfs/dbraw/zinc/71/95/30/779719530.db2.gz YQVHSNZZZZYWQK-UWVGGRQHSA-N 2 0 299.375 -1.370 20 0 CAADRP CNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001124867726 779719588 /nfs/dbraw/zinc/71/95/88/779719588.db2.gz YQVHSNZZZZYWQK-NXEZZACHSA-N 2 0 299.375 -1.370 20 0 CAADRP CNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001124877102 779719934 /nfs/dbraw/zinc/71/99/34/779719934.db2.gz BOKISNBWTUGVFN-VHSXEESVSA-N 2 0 256.350 -1.079 20 0 CAADRP COC[C@@H](O)C[NH2+]CCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001124877645 779720033 /nfs/dbraw/zinc/72/00/33/779720033.db2.gz HIZNJHQYLWMMTN-WDEREUQCSA-N 2 0 259.350 -1.206 20 0 CAADRP CCNC(=O)C[NH2+]CCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001124872261 779720112 /nfs/dbraw/zinc/72/01/12/779720112.db2.gz CLRLQNLSBJUJKM-SNVBAGLBSA-N 2 0 256.350 -1.078 20 0 CAADRP CN(C(=O)CN(CC[NH3+])S(C)(=O)=O)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001161220512 779754467 /nfs/dbraw/zinc/75/44/67/779754467.db2.gz ZRMAXOADKMQVOS-JZYVYDRUSA-N 2 0 290.389 -2.117 20 0 CAADRP CC(=O)N1C[C@H](O)C[C@H]1C(=O)N(CCCC[NH3+])C(N)=[NH2+] ZINC001143038524 779766923 /nfs/dbraw/zinc/76/69/23/779766923.db2.gz YUGCHNRPLJBNSR-ZJUUUORDSA-N 2 0 285.348 -1.571 20 0 CAADRP C[NH+]1CCN(CCC(=O)NC2(C[NH3+])COC2)CC1 ZINC001143236593 779769066 /nfs/dbraw/zinc/76/90/66/779769066.db2.gz MTUBDGDBSXJBOL-UHFFFAOYSA-N 2 0 256.350 -1.532 20 0 CAADRP C[N@@H+]1CC[C@@H](C(=O)NCC[NH2+][C@H]2CCCNC2=O)C1 ZINC001151049545 779801533 /nfs/dbraw/zinc/80/15/33/779801533.db2.gz RQHCAIRPUYMXKB-MNOVXSKESA-N 2 0 268.361 -1.078 20 0 CAADRP C[N@@H+]1CC[C@@H](C(=O)NCC[NH2+]CC(=O)NC2CC2)C1 ZINC001151049208 779801768 /nfs/dbraw/zinc/80/17/68/779801768.db2.gz KBETVNPZJWMLOM-SNVBAGLBSA-N 2 0 268.361 -1.078 20 0 CAADRP COC[C@H](O)C[NH2+]CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001151058103 779801874 /nfs/dbraw/zinc/80/18/74/779801874.db2.gz WIDRNKOPNMDCRU-WDEREUQCSA-N 2 0 259.350 -1.349 20 0 CAADRP CNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001151049165 779802304 /nfs/dbraw/zinc/80/23/04/779802304.db2.gz IXTILRHKVDQLFS-SECBINFHSA-N 2 0 285.348 -1.901 20 0 CAADRP Cn1nncc1C[NH2+]CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001151048952 779802433 /nfs/dbraw/zinc/80/24/33/779802433.db2.gz FRCHAXVCKVRCBD-JTQLQIEISA-N 2 0 266.349 -1.027 20 0 CAADRP CN(C)C(=O)C[NH2+]CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001151049262 779802806 /nfs/dbraw/zinc/80/28/06/779802806.db2.gz LTXUZAHALCWYEN-SNVBAGLBSA-N 2 0 256.350 -1.268 20 0 CAADRP C[N@@H+]1CC[C@@H](C(=O)NCC[NH2+]CCOCCO)C1 ZINC001151055703 779802700 /nfs/dbraw/zinc/80/27/00/779802700.db2.gz HKNAQPCKKVTNPX-LLVKDONJSA-N 2 0 259.350 -1.347 20 0 CAADRP CCNC(=O)C[NH2+]CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001151048382 779802884 /nfs/dbraw/zinc/80/28/84/779802884.db2.gz APYGNEYLEFOBTL-JTQLQIEISA-N 2 0 256.350 -1.220 20 0 CAADRP CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001151048383 779803182 /nfs/dbraw/zinc/80/31/82/779803182.db2.gz APYGNEYLEFOBTL-SNVBAGLBSA-N 2 0 256.350 -1.220 20 0 CAADRP C[C@H](C[NH+]1CCOCC1)C(=O)NCC[NH2+][C@@H](C)C(N)=O ZINC001151156330 779804283 /nfs/dbraw/zinc/80/42/83/779804283.db2.gz ALCKVJROOZCCGV-MNOVXSKESA-N 2 0 286.376 -1.466 20 0 CAADRP O=C(C[NH+]1CCCC1)NCC[NH2+]CCN1C(=O)CCC1=O ZINC001151107503 779804392 /nfs/dbraw/zinc/80/43/92/779804392.db2.gz XCPAYDSASUNKRG-UHFFFAOYSA-N 2 0 296.371 -1.063 20 0 CAADRP O=C(C[NH+]1CCCC1)NCC[NH2+][C@@H]1CCNC1=O ZINC001151097727 779804579 /nfs/dbraw/zinc/80/45/79/779804579.db2.gz QMQIRFKQDSWYAC-SNVBAGLBSA-N 2 0 254.334 -1.324 20 0 CAADRP C[C@H](C[NH+]1CCOCC1)C(=O)NCC[NH2+][C@H](C)C(N)=O ZINC001151156328 779804744 /nfs/dbraw/zinc/80/47/44/779804744.db2.gz ALCKVJROOZCCGV-GHMZBOCLSA-N 2 0 286.376 -1.466 20 0 CAADRP CNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)C[NH+]1CCCC1 ZINC001151101901 779804865 /nfs/dbraw/zinc/80/48/65/779804865.db2.gz ZGTPIPJFZKQRFK-SNVBAGLBSA-N 2 0 299.375 -1.368 20 0 CAADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCC[NH2+]CC(=O)NC(N)=O ZINC001152147420 779820254 /nfs/dbraw/zinc/82/02/54/779820254.db2.gz NFUCLFMGTYKLKX-NXEZZACHSA-N 2 0 299.375 -1.240 20 0 CAADRP CC(C)[N@H+](C)CC(=O)NCC[NH2+][C@H](C)C(=O)NC(N)=O ZINC001152445258 779823969 /nfs/dbraw/zinc/82/39/69/779823969.db2.gz FSPLSCSVAYEDDV-SECBINFHSA-N 2 0 287.364 -1.384 20 0 CAADRP CC(C)[N@H+](C)CC(=O)NCC[NH2+][C@@H]1CCC(=O)NC1=O ZINC001152426079 779824262 /nfs/dbraw/zinc/82/42/62/779824262.db2.gz CGPMFYHNYJSXCL-SNVBAGLBSA-N 2 0 284.360 -1.162 20 0 CAADRP C[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+][C@@H]1CCC(=O)NC1=O ZINC001155795527 779877233 /nfs/dbraw/zinc/87/72/33/779877233.db2.gz HSBBDQUTDBTOSZ-MNOVXSKESA-N 2 0 296.371 -1.018 20 0 CAADRP C[C@H]([NH2+]CCCNC(=O)[C@H]1CCC[N@@H+]1C)C(=O)NC(N)=O ZINC001155821917 779877613 /nfs/dbraw/zinc/87/76/13/779877613.db2.gz FDNLZGMJZISAFO-VHSXEESVSA-N 2 0 299.375 -1.240 20 0 CAADRP [NH3+]CCc1nnn(-c2nccc(N3CCC([NH3+])CC3)n2)n1 ZINC001156989367 779892744 /nfs/dbraw/zinc/89/27/44/779892744.db2.gz WMEIGMLGAXSDTG-UHFFFAOYSA-N 2 0 289.347 -1.119 20 0 CAADRP [NH3+]CCc1nnn(-c2ncnc3c2CC[NH2+]CC3)n1 ZINC001156986110 779893264 /nfs/dbraw/zinc/89/32/64/779893264.db2.gz PXRAPLNRJFMMPK-UHFFFAOYSA-N 2 0 260.305 -1.358 20 0 CAADRP NS(=O)(=O)c1ccc(NC(=[NH2+])NCCCC[NH3+])nn1 ZINC001157102078 779896242 /nfs/dbraw/zinc/89/62/42/779896242.db2.gz SGJRFFMCRURATR-UHFFFAOYSA-N 2 0 287.349 -1.201 20 0 CAADRP CNC(=O)[C@H](CCCC[NH3+])NC(=O)C[C@H]1C[NH2+]CCO1 ZINC001157323296 779899400 /nfs/dbraw/zinc/89/94/00/779899400.db2.gz GCFUPXSOFFQZIN-QWRGUYRKSA-N 2 0 286.376 -1.275 20 0 CAADRP CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H]([NH3+])CCC[NH3+] ZINC001157323436 779899447 /nfs/dbraw/zinc/89/94/47/779899447.db2.gz PYNRIBPVNQSFFG-UWVGGRQHSA-N 3 0 273.381 -1.588 20 0 CAADRP CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H]1C[NH2+]C[C@@H]1O ZINC001157336341 779899524 /nfs/dbraw/zinc/89/95/24/779899524.db2.gz NGQXVMVTVTUEBA-UTLUCORTSA-N 2 0 272.349 -2.074 20 0 CAADRP CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H]1CO[C@@H]2C[NH2+]C[C@H]12 ZINC001157323155 779899577 /nfs/dbraw/zinc/89/95/77/779899577.db2.gz BYUPQEPPJPTTJA-NOOOWODRSA-N 2 0 298.387 -1.419 20 0 CAADRP CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H]1C[N@H+](C)CCN1C ZINC001157335783 779899605 /nfs/dbraw/zinc/89/96/05/779899605.db2.gz JVOBQPNEPDCGJO-NWDGAFQWSA-N 2 0 299.419 -1.408 20 0 CAADRP CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H]1C[NH2+]CCCO1 ZINC001157322946 779899616 /nfs/dbraw/zinc/89/96/16/779899616.db2.gz FSPZWCIXEAQKLB-QWRGUYRKSA-N 2 0 286.376 -1.275 20 0 CAADRP CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H]([NH3+])Cn1cccn1 ZINC001157323010 779899653 /nfs/dbraw/zinc/89/96/53/779899653.db2.gz IPRRXPMPTFGEJO-QWRGUYRKSA-N 2 0 296.375 -1.430 20 0 CAADRP CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@]1(N)CC[NH2+]C1 ZINC001157335882 779899674 /nfs/dbraw/zinc/89/96/74/779899674.db2.gz LBRPMJZIFHXJJI-JOYOIKCWSA-N 2 0 271.365 -1.963 20 0 CAADRP CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H]1C[NH2+]C[C@@H](O)C1 ZINC001157323760 779899685 /nfs/dbraw/zinc/89/96/85/779899685.db2.gz YRIKGKCMSWHEGU-DCAQKATOSA-N 2 0 286.376 -1.683 20 0 CAADRP CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H]([NH3+])COC ZINC001157324346 779899837 /nfs/dbraw/zinc/89/98/37/779899837.db2.gz WRZWHWVUXOJRLA-IUCAKERBSA-N 2 0 260.338 -1.680 20 0 CAADRP CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H]([NH2+]C)[C@@H](C)O ZINC001157335065 779899875 /nfs/dbraw/zinc/89/98/75/779899875.db2.gz CDHRLLGQKVEMOX-UTLUCORTSA-N 2 0 274.365 -1.685 20 0 CAADRP CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@]12CC[C@@H](N1)[C@H]([NH3+])C2 ZINC001157323787 779899883 /nfs/dbraw/zinc/89/98/83/779899883.db2.gz NVNZGWRSPXNBNO-PUHVVEEASA-N 2 0 297.403 -1.432 20 0 CAADRP CNC(=O)[C@H](CCCC[NH3+])NC(=O)C1(N)CC[NH2+]CC1 ZINC001157323531 779899920 /nfs/dbraw/zinc/89/99/20/779899920.db2.gz JISMIAULQITZMX-JTQLQIEISA-N 2 0 285.392 -1.573 20 0 CAADRP CNC(=O)[C@H](CCCC[NH3+])NC(=O)C[C@H]([NH3+])CO ZINC001157323183 779899937 /nfs/dbraw/zinc/89/99/37/779899937.db2.gz CTGZOSJTMVRHPC-IUCAKERBSA-N 2 0 260.338 -1.944 20 0 CAADRP CNC(=O)[C@H](CCCC[NH3+])NC(=O)CNC1CC[NH2+]CC1 ZINC001157322945 779899955 /nfs/dbraw/zinc/89/99/55/779899955.db2.gz FQXHULUENFFXIJ-LBPRGKRZSA-N 2 0 299.419 -1.312 20 0 CAADRP CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H](N)CC[NH3+] ZINC001157323289 779900039 /nfs/dbraw/zinc/90/00/39/779900039.db2.gz FVTWOICYYPIPEH-IUCAKERBSA-N 2 0 259.354 -1.978 20 0 CAADRP CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@]12C[NH2+]C[C@H]1CCN2 ZINC001157322944 779900060 /nfs/dbraw/zinc/90/00/60/779900060.db2.gz FPRGFSBLBGDYEM-UHIISALHSA-N 2 0 297.403 -1.702 20 0 CAADRP CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H]1C[NH2+]C[C@H](O)C1 ZINC001157323759 779900075 /nfs/dbraw/zinc/90/00/75/779900075.db2.gz YRIKGKCMSWHEGU-AXFHLTTASA-N 2 0 286.376 -1.683 20 0 CAADRP CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](CO)[NH2+]C ZINC001157336414 779900759 /nfs/dbraw/zinc/90/07/59/779900759.db2.gz PEKLKQBOMOTOSI-IUCAKERBSA-N 2 0 260.338 -2.074 20 0 CAADRP CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@]1(N)CCC[NH2+]C1 ZINC001157337513 779901108 /nfs/dbraw/zinc/90/11/08/779901108.db2.gz WWKQFELEWMSTJI-GWCFXTLKSA-N 2 0 285.392 -1.573 20 0 CAADRP CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@]1(N)CCC[NH2+]C1 ZINC001157337514 779901114 /nfs/dbraw/zinc/90/11/14/779901114.db2.gz WWKQFELEWMSTJI-GXFFZTMASA-N 2 0 285.392 -1.573 20 0 CAADRP [NH3+]CCCC[C@H](NC(=O)[C@@H](O)C[NH3+])C(=O)N1CCCC1 ZINC001157379655 779902204 /nfs/dbraw/zinc/90/22/04/779902204.db2.gz PNAHNWZBQXCLFO-QWRGUYRKSA-N 2 0 286.376 -1.458 20 0 CAADRP CCOC(=O)CC1([NH3+])CCN(C(=O)[C@H]2C[C@@H](O)C[NH2+]2)CC1 ZINC001157448660 779902750 /nfs/dbraw/zinc/90/27/50/779902750.db2.gz FBYLJSDXOVTFGG-GHMZBOCLSA-N 2 0 299.371 -1.018 20 0 CAADRP CN1CCN(C(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)CC1 ZINC001157451604 779903024 /nfs/dbraw/zinc/90/30/24/779903024.db2.gz ZFKYDSWLXZHMPJ-GFCCVEGCSA-N 2 0 269.393 -1.489 20 0 CAADRP Cn1ccnc1CCNC(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001157421708 779903454 /nfs/dbraw/zinc/90/34/54/779903454.db2.gz HUSLWPPOKMRWTQ-JTQLQIEISA-N 2 0 263.345 -1.112 20 0 CAADRP CN1CCN(C(=O)[C@@H]([NH3+])C2CC[NH2+]CC2)CC1=O ZINC001157484860 779904038 /nfs/dbraw/zinc/90/40/38/779904038.db2.gz FMRSDVOYWBUQDW-NSHDSACASA-N 2 0 254.334 -1.386 20 0 CAADRP CCOC(=O)CC1([NH3+])CCN(C(=O)[C@H]2[NH2+]CC[C@H]2O)CC1 ZINC001157449376 779904156 /nfs/dbraw/zinc/90/41/56/779904156.db2.gz ZYHUMMWIWCVRJW-PWSUYJOCSA-N 2 0 299.371 -1.018 20 0 CAADRP CN1CCN(C(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)CC1 ZINC001157451120 779904218 /nfs/dbraw/zinc/90/42/18/779904218.db2.gz LVLKGSWZCXOKOE-DGCLKSJQSA-N 2 0 252.362 -1.041 20 0 CAADRP CNC(=O)C1CCN(C(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)CC1 ZINC001157495991 779905723 /nfs/dbraw/zinc/90/57/23/779905723.db2.gz RDQGBLYJDYIYHN-NSHDSACASA-N 2 0 280.372 -1.220 20 0 CAADRP COC(=O)N1CCN(C(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)CC1 ZINC001157508011 779906591 /nfs/dbraw/zinc/90/65/91/779906591.db2.gz NROKRTFGNLCOKZ-JTQLQIEISA-N 2 0 282.344 -1.294 20 0 CAADRP COC(=O)N1CCN(C(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)CC1 ZINC001157508013 779906646 /nfs/dbraw/zinc/90/66/46/779906646.db2.gz NROKRTFGNLCOKZ-SNVBAGLBSA-N 2 0 282.344 -1.294 20 0 CAADRP O=C([C@H]1C[NH2+]CC12C[NH2+]C2)N1CCn2cnnc2C1 ZINC001157508346 779906736 /nfs/dbraw/zinc/90/67/36/779906736.db2.gz SOSZOKMYVRTJJJ-SECBINFHSA-N 2 0 262.317 -1.571 20 0 CAADRP COC(=O)N1CCN(C(=O)[C@@H]([NH3+])CCC[NH3+])CC1 ZINC001157508765 779907009 /nfs/dbraw/zinc/90/70/09/779907009.db2.gz ZXXJDEURUNRWNF-VIFPVBQESA-N 2 0 258.322 -1.037 20 0 CAADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)N1CCn2cnnc2C1 ZINC001157508448 779907080 /nfs/dbraw/zinc/90/70/80/779907080.db2.gz VAXMGHPLYSLSNJ-NSHDSACASA-N 2 0 293.375 -1.629 20 0 CAADRP COCC1CN(C(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)C1 ZINC001157521994 779907110 /nfs/dbraw/zinc/90/71/10/779907110.db2.gz NMBVDTBLBNAWRM-GFCCVEGCSA-N 2 0 270.377 -1.158 20 0 CAADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)N1CC(N2CC(F)C2)C1 ZINC001157529169 779908031 /nfs/dbraw/zinc/90/80/31/779908031.db2.gz YISAPQLZJOXOCR-ZDUSSCGKSA-N 2 0 299.394 -1.399 20 0 CAADRP Cn1cncc1C[C@H]([NH3+])C(=O)N1C[C@@H](F)[C@@H]([NH3+])C1 ZINC001157533147 779908148 /nfs/dbraw/zinc/90/81/48/779908148.db2.gz ZKJJNQBEBXRSLW-UTLUCORTSA-N 2 0 255.297 -1.203 20 0 CAADRP C[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)N1C[C@@H](F)[C@@H]([NH3+])C1 ZINC001157538978 779908249 /nfs/dbraw/zinc/90/82/49/779908249.db2.gz VNTDIDHGVJBADB-JXUBOQSCSA-N 2 0 272.324 -1.168 20 0 CAADRP [NH3+]CC(=O)N1CCC[C@H]1C(=O)N1C[C@@H](F)[C@@H]([NH3+])C1 ZINC001157538161 779908338 /nfs/dbraw/zinc/90/83/38/779908338.db2.gz INBLZYXBLRNTSU-VGMNWLOBSA-N 2 0 258.297 -1.556 20 0 CAADRP [NH3+]CCSC[C@H]([NH3+])C(=O)N1C[C@@H](F)[C@@H]([NH3+])C1 ZINC001157538611 779908404 /nfs/dbraw/zinc/90/84/04/779908404.db2.gz OIFVCUBPIHGAKE-CSMHCCOUSA-N 3 0 250.343 -1.487 20 0 CAADRP CC(=O)NCSC[C@H]([NH3+])C(=O)N1C[C@@H](F)[C@@H]([NH3+])C1 ZINC001157539054 779908429 /nfs/dbraw/zinc/90/84/29/779908429.db2.gz YHWNPNAKQYLZAM-VGMNWLOBSA-N 2 0 278.353 -1.352 20 0 CAADRP [NH3+][C@H]1CN(C(=O)[C@H]2NC(=O)CC23C[NH2+]C3)C[C@H]1F ZINC001157536701 779908475 /nfs/dbraw/zinc/90/84/75/779908475.db2.gz ONGWXRVVORQZQD-BKPPORCPSA-N 2 0 256.281 -2.028 20 0 CAADRP CC1([NH3+])CN(C(=O)CN2CCCC[C@H]([NH3+])C2=O)C1 ZINC001157644618 779908856 /nfs/dbraw/zinc/90/88/56/779908856.db2.gz SPXHLILFLYPPDB-VIFPVBQESA-N 2 0 254.334 -1.114 20 0 CAADRP CC(=O)O[C@H]1C[NH2+]C[C@@H]1C(=O)N1C[C@@H](F)[C@@H]([NH3+])C1 ZINC001157545308 779908995 /nfs/dbraw/zinc/90/89/95/779908995.db2.gz OTUWFRNDMQQQRN-JXUBOQSCSA-N 2 0 259.281 -1.355 20 0 CAADRP [NH3+][C@H]1CN(C(=O)CNC(=O)[C@@H]2CCC[NH2+]2)C[C@H]1F ZINC001157544334 779909150 /nfs/dbraw/zinc/90/91/50/779909150.db2.gz BBHRIVAGYFGBDB-VGMNWLOBSA-N 2 0 258.297 -1.638 20 0 CAADRP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N1CC(C)([NH3+])C1 ZINC001157651362 779909580 /nfs/dbraw/zinc/90/95/80/779909580.db2.gz MZJSXHYNAPXFLX-BQBZGAKWSA-N 2 0 271.321 -2.747 20 0 CAADRP CCOC(=O)[C@@H]1C[NH2+]C[C@H]1C(=O)N1C[C@@H](F)[C@@H]([NH3+])C1 ZINC001157545564 779909621 /nfs/dbraw/zinc/90/96/21/779909621.db2.gz WTDSTLPIJJIFBM-KYXWUPHJSA-N 2 0 273.308 -1.107 20 0 CAADRP CC(=O)O[C@H]1C[NH2+]C[C@H]1C(=O)N1C[C@@H](F)[C@@H]([NH3+])C1 ZINC001157545307 779909821 /nfs/dbraw/zinc/90/98/21/779909821.db2.gz OTUWFRNDMQQQRN-IMSYWVGJSA-N 2 0 259.281 -1.355 20 0 CAADRP CN(C[C@@H]1C[NH2+]CCO1)C(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001157715415 779910114 /nfs/dbraw/zinc/91/01/14/779910114.db2.gz DUPNBTFAVZMYJM-QWRGUYRKSA-N 3 0 268.361 -1.758 20 0 CAADRP CN(C[C@@H]1C[NH2+]CCO1)C(=O)[C@@H]([NH3+])Cc1cnc[nH]1 ZINC001157715345 779910606 /nfs/dbraw/zinc/91/06/06/779910606.db2.gz DRQUIXLMXZDJRX-QWRGUYRKSA-N 2 0 267.333 -1.274 20 0 CAADRP CN(C[C@H]1C[NH2+]CCO1)C(=O)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001157715352 779910658 /nfs/dbraw/zinc/91/06/58/779910658.db2.gz DUPNBTFAVZMYJM-GHMZBOCLSA-N 3 0 268.361 -1.758 20 0 CAADRP CN(C[C@@H]1C[NH2+]CCO1)C(=O)[C@@]12CC[C@@H](N1)[C@H]([NH3+])C2 ZINC001157715550 779910769 /nfs/dbraw/zinc/91/07/69/779910769.db2.gz GNUNZTBHWCUIJP-WGBDABJCSA-N 2 0 268.361 -1.345 20 0 CAADRP C[NH+](C)C1CN(C(=O)[C@H]2COC3(C[NH2+]C3)CN2)C1 ZINC001157681460 779910809 /nfs/dbraw/zinc/91/08/09/779910809.db2.gz JOQYESXWXFMBRG-SNVBAGLBSA-N 2 0 254.334 -1.911 20 0 CAADRP CN(C[C@@H]1C[NH2+]CCO1)C(=O)[C@@]12C[NH2+]C[C@@H]1CCN2 ZINC001157715523 779910875 /nfs/dbraw/zinc/91/08/75/779910875.db2.gz FQEUPUWJJUFKMW-GMXVVIOVSA-N 2 0 268.361 -1.615 20 0 CAADRP CN(C[C@@H]1C[NH2+]CCO1)C(=O)[C@@H]([NH3+])Cc1cncn1C ZINC001157715212 779911034 /nfs/dbraw/zinc/91/10/34/779911034.db2.gz CIZRASHTJJAMKP-RYUDHWBXSA-N 2 0 281.360 -1.263 20 0 CAADRP CN(C[C@H]1C[NH2+]CCO1)C(=O)CN1CCCC[C@H]([NH3+])C1=O ZINC001157720881 779911787 /nfs/dbraw/zinc/91/17/87/779911787.db2.gz QWIAGJHGIIFMSX-NEPJUHHUSA-N 2 0 298.387 -1.227 20 0 CAADRP CN(C[C@@H]1C[NH2+]CCO1)C(=O)CN1CCCC[C@H]([NH3+])C1=O ZINC001157720882 779911823 /nfs/dbraw/zinc/91/18/23/779911823.db2.gz QWIAGJHGIIFMSX-RYUDHWBXSA-N 2 0 298.387 -1.227 20 0 CAADRP CN(C[C@@H]1C[NH2+]CCO1)C(=O)[C@H]([NH3+])C1CC[NH2+]CC1 ZINC001157721250 779911919 /nfs/dbraw/zinc/91/19/19/779911919.db2.gz WAENXFXKDAFXRP-NWDGAFQWSA-N 3 0 270.377 -1.240 20 0 CAADRP CN(C[C@H]1C[NH2+]CCO1)C(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001157721387 779912072 /nfs/dbraw/zinc/91/20/72/779912072.db2.gz XIDIBUXKHVBURG-OLZOCXBDSA-N 3 0 299.419 -1.816 20 0 CAADRP CN(C[C@H]1C[NH2+]CCO1)C(=O)[C@H]([NH3+])C1CC[NH2+]CC1 ZINC001157721252 779912277 /nfs/dbraw/zinc/91/22/77/779912277.db2.gz WAENXFXKDAFXRP-VXGBXAGGSA-N 3 0 270.377 -1.240 20 0 CAADRP CN(C[C@H]1C[NH2+]CCO1)C(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001157721384 779912326 /nfs/dbraw/zinc/91/23/26/779912326.db2.gz XIDIBUXKHVBURG-CHWSQXEVSA-N 3 0 299.419 -1.816 20 0 CAADRP CN(C[C@H]1C[NH2+]CCO1)C(=O)[C@@H]([NH3+])CC[S@](C)=O ZINC001157721216 779912714 /nfs/dbraw/zinc/91/27/14/779912714.db2.gz VHJDEJHZDNOPTQ-JJQCHNSYSA-N 2 0 277.390 -1.471 20 0 CAADRP C[C@@H]1CCN(C(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)C[C@@H]1[NH3+] ZINC001157800080 779913332 /nfs/dbraw/zinc/91/33/32/779913332.db2.gz WNYNLWGQCFSEKN-VWYCJHECSA-N 3 0 252.362 -1.009 20 0 CAADRP C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N1CCC[C@@H](C[NH3+])[C@H]1C ZINC001157846092 779913343 /nfs/dbraw/zinc/91/33/43/779913343.db2.gz GJGCNELHBYHSIZ-VLEAKVRGSA-N 2 0 286.376 -1.604 20 0 CAADRP C[C@@H]1CCN(C(=O)CN(CC[NH3+])S(C)(=O)=O)C[C@@H]1[NH3+] ZINC001157798993 779913857 /nfs/dbraw/zinc/91/38/57/779913857.db2.gz IYEHRIADFWSMPG-ZJUUUORDSA-N 2 0 292.405 -1.598 20 0 CAADRP C[C@@H]1[C@@H](C[NH3+])CCCN1C(=O)[C@@H]1COC2(C[NH2+]C2)CN1 ZINC001157844294 779913896 /nfs/dbraw/zinc/91/38/96/779913896.db2.gz VUERPRFPDFRZPZ-UTUOFQBUSA-N 2 0 282.388 -1.097 20 0 CAADRP C[C@@H]1[C@@H](C[NH3+])CCCN1C(=O)[C@H]1COC2(C[NH2+]C2)CN1 ZINC001157844293 779914080 /nfs/dbraw/zinc/91/40/80/779914080.db2.gz VUERPRFPDFRZPZ-IJLUTSLNSA-N 2 0 282.388 -1.097 20 0 CAADRP C[C@H]1C[C@@H](CO)N(C(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)C1 ZINC001157853387 779915021 /nfs/dbraw/zinc/91/50/21/779915021.db2.gz AUYWPTXWNQTFLH-WCFLWFBJSA-N 2 0 284.404 -1.034 20 0 CAADRP O=C([C@H]1C[NH2+]CC12C[NH2+]C2)N1CC[C@@H](O)[C@H](F)C1 ZINC001157856233 779915040 /nfs/dbraw/zinc/91/50/40/779915040.db2.gz SUQZZWCUVBAZTL-OPRDCNLKSA-N 2 0 257.309 -1.273 20 0 CAADRP CC(=O)CN(C)C(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001157862817 779915231 /nfs/dbraw/zinc/91/52/31/779915231.db2.gz LQKPKBNLXGEPSW-LLVKDONJSA-N 2 0 256.350 -1.216 20 0 CAADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)N1CC[C@@H](O)[C@H](F)C1 ZINC001157856568 779915258 /nfs/dbraw/zinc/91/52/58/779915258.db2.gz WIUYTYLVKNYFNV-GRYCIOLGSA-N 2 0 288.367 -1.332 20 0 CAADRP O=C([C@@H]1C[NH2+]CC12C[NH2+]C2)N1CC[C@H](CO)[C@H](O)C1 ZINC001157902510 779916277 /nfs/dbraw/zinc/91/62/77/779916277.db2.gz BVFJVUVTFSJKKN-OUAUKWLOSA-N 2 0 269.345 -2.003 20 0 CAADRP O=C([C@@H]1C[NH2+]CC12C[NH2+]C2)N1CC[C@@H](CO)[C@H](O)C1 ZINC001157902508 779916349 /nfs/dbraw/zinc/91/63/49/779916349.db2.gz BVFJVUVTFSJKKN-GARJFASQSA-N 2 0 269.345 -2.003 20 0 CAADRP O=C(N1CCCNC(=O)C1)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001157891387 779916459 /nfs/dbraw/zinc/91/64/59/779916459.db2.gz YJYQMPZMDLZNEF-ZWNOBZJWSA-N 2 0 266.345 -1.466 20 0 CAADRP O=C([C@@H]1C[NH2+]CC12C[NH2+]C2)N1CC[C@H](CO)[C@@H](O)C1 ZINC001157902670 779916670 /nfs/dbraw/zinc/91/66/70/779916670.db2.gz BVFJVUVTFSJKKN-VWYCJHECSA-N 2 0 269.345 -2.003 20 0 CAADRP O=C(N1CC[C@H](CO)[C@H](O)C1)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001157903344 779916716 /nfs/dbraw/zinc/91/67/16/779916716.db2.gz GACXOXVTPIIZMB-HKUMRIAESA-N 2 0 283.372 -1.613 20 0 CAADRP [NH3+]CCSC[C@H]([NH3+])C(=O)N1CC[C@@H](CO)[C@@H](O)C1 ZINC001157904422 779917166 /nfs/dbraw/zinc/91/71/66/779917166.db2.gz LXZNZXAEGHHTDM-GUBZILKMSA-N 2 0 277.390 -1.793 20 0 CAADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N1CC[C@@H](CO)[C@@H](O)C1 ZINC001157905165 779917328 /nfs/dbraw/zinc/91/73/28/779917328.db2.gz RMKIKBUWPXTIKS-SRVKXCTJSA-N 2 0 273.377 -1.095 20 0 CAADRP [NH3+][C@H](C(=O)N1CC[C@@H](CO)[C@H](O)C1)C1CC[NH2+]CC1 ZINC001157905505 779917368 /nfs/dbraw/zinc/91/73/68/779917368.db2.gz UPZNAWRUUXOAHX-TUAOUCFPSA-N 2 0 271.361 -1.485 20 0 CAADRP [NH3+][C@H](C(=O)N1CC[C@H](CO)[C@H](O)C1)C1CC[NH2+]CC1 ZINC001157905506 779917525 /nfs/dbraw/zinc/91/75/25/779917525.db2.gz UPZNAWRUUXOAHX-UTUOFQBUSA-N 2 0 271.361 -1.485 20 0 CAADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CC[C@@H](CO)[C@@H](O)C1 ZINC001157904825 779917755 /nfs/dbraw/zinc/91/77/55/779917755.db2.gz OCUYUYHDBXTNSK-DCAQKATOSA-N 2 0 259.350 -1.356 20 0 CAADRP [NH3+][C@H](C(=O)N1CC[C@@H](CO)[C@@H](O)C1)C1CC[NH2+]CC1 ZINC001157905504 779917775 /nfs/dbraw/zinc/91/77/75/779917775.db2.gz UPZNAWRUUXOAHX-SRVKXCTJSA-N 2 0 271.361 -1.485 20 0 CAADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CC[C@H](CO)[C@@H](O)C1 ZINC001157904828 779917834 /nfs/dbraw/zinc/91/78/34/779917834.db2.gz OCUYUYHDBXTNSK-VWYCJHECSA-N 2 0 259.350 -1.356 20 0 CAADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N1CC[C@@H](O)[C@@H](CO)C1 ZINC001157934460 779918622 /nfs/dbraw/zinc/91/86/22/779918622.db2.gz KHOWOQZCORBPPZ-GRYCIOLGSA-N 2 0 273.377 -1.095 20 0 CAADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CC[C@@H](O)[C@@H](CO)C1 ZINC001157934673 779919175 /nfs/dbraw/zinc/91/91/75/779919175.db2.gz NKPUSHYSWOWAIR-OUAUKWLOSA-N 2 0 259.350 -1.356 20 0 CAADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N1CC[C@@H](O)[C@H](CO)C1 ZINC001157934461 779919218 /nfs/dbraw/zinc/91/92/18/779919218.db2.gz KHOWOQZCORBPPZ-SDDRHHMPSA-N 2 0 273.377 -1.095 20 0 CAADRP C[C@]1(CO)CCN(C(=O)[C@@H]([NH3+])CCC[NH3+])C[C@H]1O ZINC001157943918 779919892 /nfs/dbraw/zinc/91/98/92/779919892.db2.gz GYQVQKZBJKCRIU-HOSYDEDBSA-N 2 0 259.350 -1.356 20 0 CAADRP C[C@]1(CO)CCN(C(=O)[C@H]([NH3+])CCC[NH3+])C[C@@H]1O ZINC001157943920 779920089 /nfs/dbraw/zinc/92/00/89/779920089.db2.gz GYQVQKZBJKCRIU-JFGNBEQYSA-N 2 0 259.350 -1.356 20 0 CAADRP C[C@]1(CO)CN(C(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)CC[C@@H]1O ZINC001157945790 779920990 /nfs/dbraw/zinc/92/09/90/779920990.db2.gz LKTUOTVRAOWZJV-AYRXBEOTSA-N 2 0 297.399 -1.223 20 0 CAADRP C[C@@]1(CO)CN(C(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)CC[C@@H]1O ZINC001157945793 779921011 /nfs/dbraw/zinc/92/10/11/779921011.db2.gz LKTUOTVRAOWZJV-PAPYEOQZSA-N 2 0 297.399 -1.223 20 0 CAADRP C[C@]1(CO)CCN(C(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)C[C@@H]1O ZINC001157947190 779921182 /nfs/dbraw/zinc/92/11/82/779921182.db2.gz RKSQBVNMURSYLW-AYRXBEOTSA-N 2 0 297.399 -1.223 20 0 CAADRP C[C@]1(CO)CN(C(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)CC[C@@H]1O ZINC001157945406 779921237 /nfs/dbraw/zinc/92/12/37/779921237.db2.gz LJKLXVQDXZYBNX-NTZNESFSSA-N 2 0 283.372 -1.613 20 0 CAADRP C[C@@]1(CO)CN(C(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)CC[C@H]1O ZINC001157945798 779921405 /nfs/dbraw/zinc/92/14/05/779921405.db2.gz LKTUOTVRAOWZJV-RJZRQDKASA-N 2 0 297.399 -1.223 20 0 CAADRP C[C@@]1(CO)CCN(C(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)C[C@@H]1O ZINC001157947192 779921481 /nfs/dbraw/zinc/92/14/81/779921481.db2.gz RKSQBVNMURSYLW-PAPYEOQZSA-N 2 0 297.399 -1.223 20 0 CAADRP C[C@]1(CO)CN(C(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)CC[C@H]1O ZINC001157945403 779921495 /nfs/dbraw/zinc/92/14/95/779921495.db2.gz LJKLXVQDXZYBNX-NQBHXWOUSA-N 2 0 283.372 -1.613 20 0 CAADRP CCOC(=O)[C@@H]1CNCCN1C(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001157998802 779923240 /nfs/dbraw/zinc/92/32/40/779923240.db2.gz HVDZJGAVQCTPKQ-QWRGUYRKSA-N 2 0 286.376 -1.194 20 0 CAADRP C[C@H]1CN(C(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)C[C@@H]1O ZINC001157998673 779923620 /nfs/dbraw/zinc/92/36/20/779923620.db2.gz YEJRWGLDZWUYOM-DLOVCJGASA-N 2 0 270.377 -1.424 20 0 CAADRP O=C([C@@H]1C[C@H](O)C[NH2+]1)N1CCOC2(CC[NH2+]CC2)C1 ZINC001158070883 779924447 /nfs/dbraw/zinc/92/44/47/779924447.db2.gz QIOZFVSFIIAQKE-QWRGUYRKSA-N 2 0 269.345 -1.310 20 0 CAADRP O=C(CN1CC[NH2+]CC1)N1CCOC2(CC[NH2+]CC2)C1 ZINC001158071049 779925264 /nfs/dbraw/zinc/92/52/64/779925264.db2.gz SMJBYCTXFGDVIP-UHFFFAOYSA-N 2 0 282.388 -1.127 20 0 CAADRP O=C([C@@H]1C[C@@H](F)CC[NH2+]1)N1CC(=O)NC[C@]12CC[NH2+]C2 ZINC001158092623 779925492 /nfs/dbraw/zinc/92/54/92/779925492.db2.gz OITNKDACWKWGBD-OUJBWJOFSA-N 2 0 284.335 -1.233 20 0 CAADRP [NH3+]C[C@H](O)CC(=O)N1CC(=O)NC[C@@]12CC[NH2+]C2 ZINC001158091320 779925519 /nfs/dbraw/zinc/92/55/19/779925519.db2.gz AJALYVVNTGMCSE-KCJUWKMLSA-N 2 0 256.306 -2.613 20 0 CAADRP [NH3+]CCC[NH2+]CC(=O)N1CCOC2(CC[NH2+]CC2)C1 ZINC001158076531 779925551 /nfs/dbraw/zinc/92/55/51/779925551.db2.gz IIKAOBSNORQRON-UHFFFAOYSA-N 3 0 270.377 -1.094 20 0 CAADRP [NH3+]CCC[C@@H]([NH3+])C(=O)N1CC(=O)NC[C@@]12CC[NH2+]C2 ZINC001158091488 779925564 /nfs/dbraw/zinc/92/55/64/779925564.db2.gz DEESYPGVXBFMNN-SKDRFNHKSA-N 3 0 269.349 -2.257 20 0 CAADRP O=C(C1CC[NH2+]CC1)N1CC(=O)NC[C@@]12CC[NH2+]C2 ZINC001158092656 779925578 /nfs/dbraw/zinc/92/55/78/779925578.db2.gz OQDUYXQTSLMWCI-ZDUSSCGKSA-N 2 0 266.345 -1.324 20 0 CAADRP O=C(N1CC(=O)NC[C@]12CC[NH2+]C2)[C@]12C[NH2+]C[C@@H]1CCN2 ZINC001158091736 779925630 /nfs/dbraw/zinc/92/56/30/779925630.db2.gz HNMGKBIKKNFUQW-GDLCADMTSA-N 2 0 293.371 -2.372 20 0 CAADRP O=C([C@@H]1C[C@@H](F)CC[NH2+]1)N1CC(=O)NC[C@@]12CC[NH2+]C2 ZINC001158092621 779925641 /nfs/dbraw/zinc/92/56/41/779925641.db2.gz OITNKDACWKWGBD-KWBADKCTSA-N 2 0 284.335 -1.233 20 0 CAADRP O=C([C@@H]1CCCC[NH2+]1)N1CC(=O)NC[C@@]12CC[NH2+]C2 ZINC001158091323 779925721 /nfs/dbraw/zinc/92/57/21/779925721.db2.gz AJIXKELEMUNGLM-GWCFXTLKSA-N 2 0 266.345 -1.181 20 0 CAADRP [NH3+]C[C@H](O)CC(=O)N1CC(=O)NC[C@]12CC[NH2+]C2 ZINC001158091322 779925767 /nfs/dbraw/zinc/92/57/67/779925767.db2.gz AJALYVVNTGMCSE-LDYMZIIASA-N 2 0 256.306 -2.613 20 0 CAADRP [NH3+]CCNCC(=O)N1CCOC2(CC[NH2+]CC2)C1 ZINC001158076577 779925877 /nfs/dbraw/zinc/92/58/77/779925877.db2.gz KGZUIPRSMRFNIF-UHFFFAOYSA-N 2 0 256.350 -1.484 20 0 CAADRP [NH3+][C@@H]1CN[C@H](C(=O)N2CCOC3(CC[NH2+]CC3)C2)C1 ZINC001158077375 779926009 /nfs/dbraw/zinc/92/60/09/779926009.db2.gz UMKKTFMDPIKAEI-QWRGUYRKSA-N 2 0 268.361 -1.343 20 0 CAADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N1CC(=O)NC[C@]12CC[NH2+]C2 ZINC001158091909 779926154 /nfs/dbraw/zinc/92/61/54/779926154.db2.gz JWQBCXTXDWFMRU-SMDDNHRTSA-N 3 0 297.403 -1.606 20 0 CAADRP O=C([C@H]1[NH2+]CC[C@H]1O)N1CC(=O)NC[C@@]12CC[NH2+]C2 ZINC001158100966 779926833 /nfs/dbraw/zinc/92/68/33/779926833.db2.gz DVGJPACXGZWJGY-QRTLGDNMSA-N 2 0 268.317 -2.600 20 0 CAADRP O=C([C@H]1[NH2+]CC[C@@H]1O)N1CC(=O)NC[C@@]12CC[NH2+]C2 ZINC001158100964 779927011 /nfs/dbraw/zinc/92/70/11/779927011.db2.gz DVGJPACXGZWJGY-PEXQALLHSA-N 2 0 268.317 -2.600 20 0 CAADRP [NH3+]C[C@@H](O)CC(=O)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1 ZINC001158111621 779927014 /nfs/dbraw/zinc/92/70/14/779927014.db2.gz PFMDEVAFQLKISI-ZANVPECISA-N 2 0 282.344 -2.366 20 0 CAADRP O=C([C@H]1[NH2+]CC[C@H]1O)N1CC(=O)NC[C@]12CC[NH2+]C2 ZINC001158100967 779927070 /nfs/dbraw/zinc/92/70/70/779927070.db2.gz DVGJPACXGZWJGY-UBHAPETDSA-N 2 0 268.317 -2.600 20 0 CAADRP [NH3+]CCNCC(=O)N1CC(=O)NC[C@]12CC[NH2+]C2 ZINC001158102500 779927110 /nfs/dbraw/zinc/92/71/10/779927110.db2.gz SVAAUSXJGHKFJG-LLVKDONJSA-N 2 0 255.322 -2.775 20 0 CAADRP [NH3+]C1(C(=O)N2CC3(C[NH2+]C3)[C@@]3(CCNC3=O)C2)CC1 ZINC001158112142 779927213 /nfs/dbraw/zinc/92/72/13/779927213.db2.gz WAJROIRTBBQJKU-LBPRGKRZSA-N 2 0 264.329 -1.584 20 0 CAADRP [NH3+]C1(C(=O)N2CC3(C[NH2+]C3)[C@]3(CCNC3=O)C2)CC1 ZINC001158112141 779927361 /nfs/dbraw/zinc/92/73/61/779927361.db2.gz WAJROIRTBBQJKU-GFCCVEGCSA-N 2 0 264.329 -1.584 20 0 CAADRP [NH3+]CCNCC(=O)N1CC(=O)NC[C@@]12CC[NH2+]C2 ZINC001158102502 779927440 /nfs/dbraw/zinc/92/74/40/779927440.db2.gz SVAAUSXJGHKFJG-NSHDSACASA-N 2 0 255.322 -2.775 20 0 CAADRP [NH3+]CCC[C@H]([NH3+])C(=O)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1 ZINC001158112465 779927476 /nfs/dbraw/zinc/92/74/76/779927476.db2.gz YHSIFZSKVJZNMZ-HZMBPMFUSA-N 3 0 295.387 -2.009 20 0 CAADRP O=C([C@H]1[C@@H]2C[NH2+]C[C@@H]21)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1 ZINC001158118836 779927539 /nfs/dbraw/zinc/92/75/39/779927539.db2.gz DQUBKYHAEKFFRL-SQYUCLKFSA-N 2 0 290.367 -1.610 20 0 CAADRP [NH3+][C@H]1CC[C@@H]1C(=O)N1CC(=O)NC[C@]12CC[NH2+]C2 ZINC001158102882 779927545 /nfs/dbraw/zinc/92/75/45/779927545.db2.gz XFWZECYCWDGVFZ-HOTUBEGUSA-N 2 0 252.318 -1.586 20 0 CAADRP O=C([C@@H]1CC[NH2+]C[C@H]1F)N1CC(=O)NC[C@@]12CC[NH2+]C2 ZINC001158101224 779927621 /nfs/dbraw/zinc/92/76/21/779927621.db2.gz HTWWQDWDJHMVHA-BREBYQMCSA-N 2 0 284.335 -1.376 20 0 CAADRP [NH3+]CCNCC(=O)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1 ZINC001158119878 779927792 /nfs/dbraw/zinc/92/77/92/779927792.db2.gz IITXVIVDXASRPI-ZDUSSCGKSA-N 2 0 281.360 -2.527 20 0 CAADRP O=C([C@H]1C[C@@H](O)C[NH2+]1)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1 ZINC001158121458 779927813 /nfs/dbraw/zinc/92/78/13/779927813.db2.gz UOGLCPABYMHCLC-RULNRJAQSA-N 2 0 294.355 -2.353 20 0 CAADRP C[C@@H]([NH3+])C(=O)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1 ZINC001158121035 779927819 /nfs/dbraw/zinc/92/78/19/779927819.db2.gz RLJIIWURFBATRW-PELKAZGASA-N 2 0 252.318 -1.728 20 0 CAADRP [NH3+]CCC[NH2+]CC(=O)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1 ZINC001158119887 779927848 /nfs/dbraw/zinc/92/78/48/779927848.db2.gz IMIHWUJBUDOXFC-AWEZNQCLSA-N 3 0 295.387 -2.137 20 0 CAADRP [NH3+]CCNCC(=O)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1 ZINC001158119877 779927882 /nfs/dbraw/zinc/92/78/82/779927882.db2.gz IITXVIVDXASRPI-CYBMUJFWSA-N 2 0 281.360 -2.527 20 0 CAADRP N[C@]1(C(=O)N2CC3(C[NH2+]C3)[C@]3(CCNC3=O)C2)CC[NH2+]C1 ZINC001158120242 779928099 /nfs/dbraw/zinc/92/80/99/779928099.db2.gz KXINVAFSPLGVJH-ZIAGYGMSSA-N 2 0 293.371 -2.385 20 0 CAADRP C[C@@H]([NH3+])C(=O)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1 ZINC001158121036 779928136 /nfs/dbraw/zinc/92/81/36/779928136.db2.gz RLJIIWURFBATRW-PRHODGIISA-N 2 0 252.318 -1.728 20 0 CAADRP O=C([C@@H]1C[NH2+]C[C@H]1O)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1 ZINC001158119342 779928276 /nfs/dbraw/zinc/92/82/76/779928276.db2.gz FYIGJIUJKBSREZ-RULNRJAQSA-N 2 0 294.355 -2.495 20 0 CAADRP N[C@@H](CC[NH3+])C(=O)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1 ZINC001158119445 779928323 /nfs/dbraw/zinc/92/83/23/779928323.db2.gz HAOUEUZSAUVNKP-ZANVPECISA-N 2 0 281.360 -2.399 20 0 CAADRP N[C@@H](C[NH3+])C(=O)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1 ZINC001158121446 779928334 /nfs/dbraw/zinc/92/83/34/779928334.db2.gz SXBGEFJBLONNBI-UFBFGSQYSA-N 2 0 267.333 -2.790 20 0 CAADRP C[C@@H](C[NH3+])C(=O)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1 ZINC001158121003 779928545 /nfs/dbraw/zinc/92/85/45/779928545.db2.gz QUHQTRXWRZPTET-TVQRCGJNSA-N 2 0 266.345 -1.481 20 0 CAADRP O=C([C@H]1C[NH2+]CCN1)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1 ZINC001158119940 779928550 /nfs/dbraw/zinc/92/85/50/779928550.db2.gz JONVMEJSHPOBEM-YGRLFVJLSA-N 2 0 293.371 -2.514 20 0 CAADRP N[C@]1(C(=O)N2CC3(C[NH2+]C3)[C@@]3(CCNC3=O)C2)CC[NH2+]C1 ZINC001158120241 779928553 /nfs/dbraw/zinc/92/85/53/779928553.db2.gz KXINVAFSPLGVJH-UONOGXRCSA-N 2 0 293.371 -2.385 20 0 CAADRP O=C([C@H]1[NH2+]CC[C@H]1O)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1 ZINC001158119919 779928556 /nfs/dbraw/zinc/92/85/56/779928556.db2.gz JKBUWOVBQNPFOQ-BFVZDQMLSA-N 2 0 294.355 -2.353 20 0 CAADRP O=C(C1CC[NH2+]CC1)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1 ZINC001158120243 779928601 /nfs/dbraw/zinc/92/86/01/779928601.db2.gz KZBYBVSIQKNSDE-HNNXBMFYSA-N 2 0 292.383 -1.076 20 0 CAADRP O=C(N1CCO[C@@H]2C[NH2+]C[C@@H]2C1)[C@@]12C[NH2+]C[C@H]1CCN2 ZINC001158168330 779928724 /nfs/dbraw/zinc/92/87/24/779928724.db2.gz UMLGGHUMSJXETB-HKUMRIAESA-N 2 0 280.372 -1.615 20 0 CAADRP O=C(CN1CC[NH2+]CC1)N1CCO[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001158166992 779928753 /nfs/dbraw/zinc/92/87/53/779928753.db2.gz GHIBKKKXAIKCBO-VXGBXAGGSA-N 2 0 268.361 -1.662 20 0 CAADRP O=C(N1CCO[C@@H]2C[NH2+]C[C@@H]2C1)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001158167447 779928928 /nfs/dbraw/zinc/92/89/28/779928928.db2.gz JKBKWRUVFMWFJP-RGCMKSIDSA-N 3 0 294.399 -1.368 20 0 CAADRP O=C(N1CCO[C@@H]2C[NH2+]C[C@@H]2C1)[C@]12C[NH2+]C[C@H]1CCN2 ZINC001158168327 779929278 /nfs/dbraw/zinc/92/92/78/779929278.db2.gz UMLGGHUMSJXETB-BYNQJWBRSA-N 2 0 280.372 -1.615 20 0 CAADRP O=C([C@@H]1C[C@H]2C[NH2+]C[C@H]2N1)N1CCO[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001158167468 779929375 /nfs/dbraw/zinc/92/93/75/779929375.db2.gz JZWIBYDXXWCQBV-OBPIAQAESA-N 2 0 280.372 -1.617 20 0 CAADRP N[C@@]1(C(=O)N2CCO[C@@H]3C[NH2+]C[C@@H]3C2)CC[NH2+]C1 ZINC001158180522 779929998 /nfs/dbraw/zinc/92/99/98/779929998.db2.gz YUJUANHMGCUVTM-FOGDFJRCSA-N 2 0 254.334 -1.876 20 0 CAADRP O=C(C[C@H]1COCC[NH2+]1)N1CCO[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001158179433 779930034 /nfs/dbraw/zinc/93/00/34/779930034.db2.gz MLUTZTFKPIXPKX-GRYCIOLGSA-N 2 0 269.345 -1.188 20 0 CAADRP [NH3+]CC12CC(C1)CN2C(=O)[C@]12C[NH2+]C[C@H]1CCN2 ZINC001158187436 779930316 /nfs/dbraw/zinc/93/03/16/779930316.db2.gz PSTZVXOZCGIZOO-QYABHDJLSA-N 2 0 250.346 -1.112 20 0 CAADRP NC(=O)NCCC[C@@H]([NH3+])C(=O)N1CC2CC1(C[NH3+])C2 ZINC001158186917 779930390 /nfs/dbraw/zinc/93/03/90/779930390.db2.gz IRZDZTINBCHMJG-NBBOBHDQSA-N 2 0 269.349 -1.288 20 0 CAADRP [NH3+]CC12CC(C1)CN2C(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1 ZINC001158186958 779930478 /nfs/dbraw/zinc/93/04/78/779930478.db2.gz JSDCIWNNTVVPRG-RMQVTFPSSA-N 2 0 250.346 -1.114 20 0 CAADRP O=C(C[C@@H]1COCC[NH2+]1)N1CCO[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001158179434 779930672 /nfs/dbraw/zinc/93/06/72/779930672.db2.gz MLUTZTFKPIXPKX-IJLUTSLNSA-N 2 0 269.345 -1.188 20 0 CAADRP N[C@]1(C(=O)N2CCO[C@@H]3C[NH2+]C[C@@H]3C2)CCC[NH2+]C1 ZINC001158179316 779930719 /nfs/dbraw/zinc/93/07/19/779930719.db2.gz KCUBXJZKIZREHQ-NQBHXWOUSA-N 2 0 268.361 -1.486 20 0 CAADRP N[C@]1(C(=O)N2CCO[C@@H]3C[NH2+]C[C@@H]3C2)CC[NH2+]C1 ZINC001158180521 779930721 /nfs/dbraw/zinc/93/07/21/779930721.db2.gz YUJUANHMGCUVTM-CKYFFXLPSA-N 2 0 254.334 -1.876 20 0 CAADRP NC(=O)CC[C@H]([NH3+])CC(=O)N1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001158208833 779931017 /nfs/dbraw/zinc/93/10/17/779931017.db2.gz ZIJJXFALORXPHS-LPEHRKFASA-N 2 0 254.334 -1.068 20 0 CAADRP [NH3+]CC(=O)N1CCC[C@H]1C(=O)N1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001158208125 779931055 /nfs/dbraw/zinc/93/10/55/779931055.db2.gz MWYPOORYMSMDEV-AXFHLTTASA-N 2 0 266.345 -1.101 20 0 CAADRP O=C([C@@H]1C[NH2+]CC12C[NH2+]C2)N1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001158199181 779931687 /nfs/dbraw/zinc/93/16/87/779931687.db2.gz OTQXCQHFBQAKBG-GARJFASQSA-N 3 0 250.346 -1.242 20 0 CAADRP [NH3+]CCSC[C@H]([NH3+])C(=O)N1CCS(=O)(=O)CC1 ZINC001158367612 779933145 /nfs/dbraw/zinc/93/31/45/779933145.db2.gz BHLSLCVRCQQOSU-QMMMGPOBSA-N 2 0 281.403 -1.737 20 0 CAADRP CS(=O)(=O)N(CC[NH3+])CC(=O)N1C[C@@H]2CC[NH2+][C@@H]2C1 ZINC001158306347 779932729 /nfs/dbraw/zinc/93/27/29/779932729.db2.gz QDAHTLIDIJKXSU-VHSXEESVSA-N 2 0 290.389 -1.973 20 0 CAADRP [NH3+]CCNCC(=O)N1Cc2ncnn2C2(CC[NH2+]CC2)C1 ZINC001158277971 779932736 /nfs/dbraw/zinc/93/27/36/779932736.db2.gz ZIILKJDCEDIUKT-UHFFFAOYSA-N 2 0 293.375 -1.753 20 0 CAADRP [NH3+]C[C@@H](O)CC(=O)N1Cc2ncnn2C2(CC[NH2+]CC2)C1 ZINC001158260826 779932748 /nfs/dbraw/zinc/93/27/48/779932748.db2.gz IDOLNXOMIIBCHU-JTQLQIEISA-N 2 0 294.359 -1.591 20 0 CAADRP O=C([C@@H]1C[C@H]2C[NH2+]C[C@H]2N1)N1C[C@@H]2CC[NH2+][C@@H]2C1 ZINC001158305728 779932765 /nfs/dbraw/zinc/93/27/65/779932765.db2.gz KVOORUSWYPBWMZ-KKJSVHSVSA-N 2 0 250.346 -1.243 20 0 CAADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)N1C[C@@H]2CC[NH2+][C@@H]2C1 ZINC001158306942 779932853 /nfs/dbraw/zinc/93/28/53/779932853.db2.gz YBAOBIJIWQSQPI-WCFLWFBJSA-N 3 0 281.404 -1.443 20 0 CAADRP [NH3+][C@H](C(=O)N1CCS(=O)(=O)CC1)C1CC[NH2+]CC1 ZINC001158368729 779933836 /nfs/dbraw/zinc/93/38/36/779933836.db2.gz JPLVHSUCTGITHR-JTQLQIEISA-N 2 0 275.374 -1.430 20 0 CAADRP O=C(N1CCS(=O)(=O)CC1)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001158371473 779933882 /nfs/dbraw/zinc/93/38/82/779933882.db2.gz ZRYQOZWHPBZEFY-ZYHUDNBSSA-N 2 0 287.385 -1.558 20 0 CAADRP [NH3+]CC(=O)N1CCC[C@H]1C(=O)N1CCC[C@@H]2[NH2+]C[C@H]21 ZINC001158422772 779934403 /nfs/dbraw/zinc/93/44/03/779934403.db2.gz LLAAMLLMUXPLLX-GARJFASQSA-N 2 0 266.345 -1.101 20 0 CAADRP CS(=O)(=O)N(CC[NH3+])CC(=O)N1CCC[C@@H]2[NH2+]C[C@H]21 ZINC001158423455 779934612 /nfs/dbraw/zinc/93/46/12/779934612.db2.gz OQUAIMSEDCSFIH-VHSXEESVSA-N 2 0 290.389 -1.831 20 0 CAADRP O=C([C@@H]1C[C@H]2C[NH2+]C[C@H]2N1)N1CCC[C@H]2[NH2+]C[C@@H]21 ZINC001158421688 779934659 /nfs/dbraw/zinc/93/46/59/779934659.db2.gz FHXIOHLZOOAAGK-MJDLHHQISA-N 2 0 250.346 -1.101 20 0 CAADRP NC(=O)NCCC[C@@H]([NH3+])C(=O)N1CCC[C@@H]2[NH2+]C[C@@H]21 ZINC001158420907 779934695 /nfs/dbraw/zinc/93/46/95/779934695.db2.gz AKKPLPYSGLYJKB-UTLUCORTSA-N 2 0 269.349 -1.275 20 0 CAADRP [NH3+]CC(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]2[NH2+]C[C@H]21 ZINC001158422773 779935070 /nfs/dbraw/zinc/93/50/70/779935070.db2.gz LLAAMLLMUXPLLX-OUAUKWLOSA-N 2 0 266.345 -1.101 20 0 CAADRP C[C@@H]1[C@H](C(=O)NCCC[NH2+]CC(N)=O)CC[N@@H+]1C ZINC001158428696 779935170 /nfs/dbraw/zinc/93/51/70/779935170.db2.gz PCSPIMIJAOOTNV-NXEZZACHSA-N 2 0 256.350 -1.092 20 0 CAADRP N[C@H]1C[NH2+]C[C@@H]1C(=O)N1CC[C@@]23C[NH2+]C[C@@H](C[C@@H]2C1)O3 ZINC001158547943 779936445 /nfs/dbraw/zinc/93/64/45/779936445.db2.gz QYLIWKRQAPXAJR-VXUPGSCNSA-N 2 0 280.372 -1.488 20 0 CAADRP O=C([C@H]1[NH2+]CC[C@H]1O)N1CC[C@@]23C[NH2+]C[C@@H](C[C@H]2C1)O3 ZINC001158543996 779936476 /nfs/dbraw/zinc/93/64/76/779936476.db2.gz AZZRFSIEAFUPAN-ILOGHGLZSA-N 2 0 281.356 -1.311 20 0 CAADRP NC(=O)C[NH2+]CCCNC(=O)[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001158487008 779936586 /nfs/dbraw/zinc/93/65/86/779936586.db2.gz UYGNSHLCBTXQBE-QWRGUYRKSA-N 2 0 284.360 -1.569 20 0 CAADRP CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)[C@@H](N)C[NH3+] ZINC001158496637 779936779 /nfs/dbraw/zinc/93/67/79/779936779.db2.gz WBYNFJDXLRWISV-AATLWQCWSA-N 2 0 270.333 -1.976 20 0 CAADRP O=C([C@@H]1C[C@H](O)C[NH2+]1)N1CC[C@@]23C[NH2+]C[C@@H](C[C@H]2C1)O3 ZINC001158535104 779936828 /nfs/dbraw/zinc/93/68/28/779936828.db2.gz VOOGJCNSZLOIHV-BYNIDDHOSA-N 2 0 281.356 -1.311 20 0 CAADRP N[C@@H](C[NH3+])C(=O)N1CC[C@@]23C[NH2+]C[C@@H](C[C@H]2C1)O3 ZINC001158532399 779936858 /nfs/dbraw/zinc/93/68/58/779936858.db2.gz BJXYKLTXNICRDX-MIZYBKAJSA-N 2 0 254.334 -1.748 20 0 CAADRP CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)[C@]1(N)CC[NH2+]C1 ZINC001158498446 779936864 /nfs/dbraw/zinc/93/68/64/779936864.db2.gz PRFDFDDRLLZSNU-DYNIEEOBSA-N 2 0 296.371 -1.571 20 0 CAADRP NC(=O)C[NH2+]CCCNC(=O)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001158487007 779936888 /nfs/dbraw/zinc/93/68/88/779936888.db2.gz UYGNSHLCBTXQBE-MNOVXSKESA-N 2 0 284.360 -1.569 20 0 CAADRP O=C(NCCC[NH2+]CCO)[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001158505696 779936896 /nfs/dbraw/zinc/93/68/96/779936896.db2.gz FZHGZOXZOGNEFL-NWDGAFQWSA-N 2 0 271.361 -1.062 20 0 CAADRP CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)[C@@H](N)CC[NH3+] ZINC001158497910 779936982 /nfs/dbraw/zinc/93/69/82/779936982.db2.gz JATGJZDJFMFQBR-XWLWVQCSSA-N 2 0 284.360 -1.586 20 0 CAADRP CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)[C@H]1C[NH2+]C[C@H]1O ZINC001158497585 779937002 /nfs/dbraw/zinc/93/70/02/779937002.db2.gz DALKMKHPHUXWAF-KKJSVHSVSA-N 2 0 297.355 -1.681 20 0 CAADRP CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)[C@@H]1C[C@@H]([NH3+])CN1 ZINC001158498547 779937026 /nfs/dbraw/zinc/93/70/26/779937026.db2.gz PXXIFRPDSKFYHA-KZZRWZIVSA-N 3 0 296.371 -1.572 20 0 CAADRP CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)[C@H]1C[C@@H](O)C[NH2+]1 ZINC001158498664 779937079 /nfs/dbraw/zinc/93/70/79/779937079.db2.gz RXPPTXHOQMXDJC-MTVMDMGHSA-N 2 0 297.355 -1.539 20 0 CAADRP CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)[C@H]1[NH2+]CC[C@H]1O ZINC001158497791 779937131 /nfs/dbraw/zinc/93/71/31/779937131.db2.gz IAQFZVZJILVFLG-HGCLJGPKSA-N 2 0 297.355 -1.539 20 0 CAADRP COCCN1CCN(C(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)CC1 ZINC001158604152 779937573 /nfs/dbraw/zinc/93/75/73/779937573.db2.gz JYKBLUCDBVXIOA-UKRRQHHQSA-N 2 0 296.415 -1.024 20 0 CAADRP COCCN1CCN(C(=O)[C@@H]([NH3+])CSCC[NH3+])CC1 ZINC001158604472 779937617 /nfs/dbraw/zinc/93/76/17/779937617.db2.gz NTMWXQIIGULIMH-NSHDSACASA-N 2 0 290.433 -1.204 20 0 CAADRP COCCN1CCN(C(=O)[C@H]([NH3+])CCC[NH3+])CC1 ZINC001158605083 779937853 /nfs/dbraw/zinc/93/78/53/779937853.db2.gz VFZJHVMQRHRYGD-LLVKDONJSA-N 2 0 258.366 -1.157 20 0 CAADRP COCCN1CCN(C(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)CC1 ZINC001158604272 779938281 /nfs/dbraw/zinc/93/82/81/779938281.db2.gz MFHUFUWEAXBCNK-LBPRGKRZSA-N 2 0 282.388 -1.414 20 0 CAADRP CN(C[C@H](O)CO)C(=O)[C@@H]([NH3+])CCCC[NH+](C)C ZINC001158797859 779939413 /nfs/dbraw/zinc/93/94/13/779939413.db2.gz CKQJNWUAIZFETL-QWRGUYRKSA-N 2 0 261.366 -1.143 20 0 CAADRP CN1CCO[C@H]2CN(C(=O)[C@@H]([NH3+])CCC[NH3+])C[C@H]21 ZINC001158803222 779939974 /nfs/dbraw/zinc/93/99/74/779939974.db2.gz DYXXOXULTJPQGC-AXFHLTTASA-N 2 0 256.350 -1.406 20 0 CAADRP CN1CCO[C@H]2CN(C(=O)[C@H]([NH3+])CCC[NH3+])C[C@H]21 ZINC001158803223 779940022 /nfs/dbraw/zinc/94/00/22/779940022.db2.gz DYXXOXULTJPQGC-MXWKQRLJSA-N 2 0 256.350 -1.406 20 0 CAADRP CN(C[C@@H](O)CO)C(=O)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001158799866 779940189 /nfs/dbraw/zinc/94/01/89/779940189.db2.gz PXOQTLJDLGYOJZ-MNOVXSKESA-N 2 0 271.361 -1.328 20 0 CAADRP OC[C@@H]1C[NH2+]C[C@H]1Nc1cncc(N2CC[NH2+]CC2)n1 ZINC001159680214 779949645 /nfs/dbraw/zinc/94/96/45/779949645.db2.gz YOVKFDLAVSVFEK-WDEREUQCSA-N 2 0 278.360 -1.122 20 0 CAADRP OC[C@H]1C[NH2+]C[C@@H]1Nc1cncc(N2CC[NH2+]CC2)n1 ZINC001159680212 779950189 /nfs/dbraw/zinc/95/01/89/779950189.db2.gz YOVKFDLAVSVFEK-MNOVXSKESA-N 2 0 278.360 -1.122 20 0 CAADRP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2C(=O)C[C@H](O)C[NH3+] ZINC001159930819 779952591 /nfs/dbraw/zinc/95/25/91/779952591.db2.gz XYARYMHQLVCCLJ-RWMBFGLXSA-N 2 0 284.404 -1.067 20 0 CAADRP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2C(=O)[C@]1(N)CC[NH2+]C1 ZINC001159930045 779952702 /nfs/dbraw/zinc/95/27/02/779952702.db2.gz PPAGAEAUQITVRG-GUTXKFCHSA-N 2 0 295.431 -1.086 20 0 CAADRP CN1C[C@@H]2CN(C(=O)[C@@H]([NH3+])C3CC[NH2+]CC3)C[C@@H]2C1=O ZINC001159887183 779952827 /nfs/dbraw/zinc/95/28/27/779952827.db2.gz RSDYTPMPJWKBSQ-WOPDTQHZSA-N 2 0 280.372 -1.140 20 0 CAADRP CN1C[C@@H]2CN(C(=O)[C@H]([NH3+])C3CC[NH2+]CC3)C[C@@H]2C1=O ZINC001159887182 779953086 /nfs/dbraw/zinc/95/30/86/779953086.db2.gz RSDYTPMPJWKBSQ-GRYCIOLGSA-N 2 0 280.372 -1.140 20 0 CAADRP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2C(=O)[C@H]1C[NH2+]C[C@@H]1N ZINC001159930908 779953285 /nfs/dbraw/zinc/95/32/85/779953285.db2.gz YYDOOKUJRWZYAJ-XDQVBPFNSA-N 2 0 295.431 -1.230 20 0 CAADRP N[C@H]1C[NH2+]C[C@@H]1C(=O)N1C[C@@H]2C[N@@H+](CC3CC3)C[C@H](C1)O2 ZINC001160155829 779955415 /nfs/dbraw/zinc/95/54/15/779955415.db2.gz LWCNBGSNGKKBAG-CRWXNKLISA-N 2 0 294.399 -1.145 20 0 CAADRP O=C([C@@H]1C[NH2+]CCN1)N1C[C@@H]2C[N@@H+](CC3CC3)C[C@H](C1)O2 ZINC001160156479 779955436 /nfs/dbraw/zinc/95/54/36/779955436.db2.gz QDGQBMKRRZJFOK-MJBXVCDLSA-N 2 0 294.399 -1.131 20 0 CAADRP N[C@@H](C[NH3+])C(=O)N1C[C@@H]2C[N@@H+](CC3CC3)C[C@H](C1)O2 ZINC001160156972 779955544 /nfs/dbraw/zinc/95/55/44/779955544.db2.gz REWIHRALRJNCHM-TUAOUCFPSA-N 2 0 268.361 -1.406 20 0 CAADRP [NH3+]CCNCC(=O)N1C[C@@H]2C[N@@H+](CC3CC3)C[C@H](C1)O2 ZINC001160156253 779955797 /nfs/dbraw/zinc/95/57/97/779955797.db2.gz OTGOMBDWNKMTAO-BETUJISGSA-N 2 0 282.388 -1.144 20 0 CAADRP O=C([C@@H]1C[NH2+]C[C@H]1O)N1C[C@@H]2C[N@@H+](CC3CC3)C[C@H](C1)O2 ZINC001160156475 779955851 /nfs/dbraw/zinc/95/58/51/779955851.db2.gz QBSRNNFHMFTARA-XJFOESAGSA-N 2 0 295.383 -1.112 20 0 CAADRP O=C([C@H]1C[NH2+]C[C@@H]1O)N1C[C@@H]2C[N@@H+](CC3CC3)C[C@H](C1)O2 ZINC001160156468 779956003 /nfs/dbraw/zinc/95/60/03/779956003.db2.gz QBSRNNFHMFTARA-CRWXNKLISA-N 2 0 295.383 -1.112 20 0 CAADRP CS(=O)(=O)N1CCN(C(=O)[C@@H]([NH3+])CCC[NH3+])CC1 ZINC001160431705 779958137 /nfs/dbraw/zinc/95/81/37/779958137.db2.gz BALZYVLOXRAOPW-VIFPVBQESA-N 2 0 278.378 -1.844 20 0 CAADRP CS(=O)(=O)N1CCN(C(=O)[C@H]([NH3+])CCC[NH3+])CC1 ZINC001160431704 779958837 /nfs/dbraw/zinc/95/88/37/779958837.db2.gz BALZYVLOXRAOPW-SECBINFHSA-N 2 0 278.378 -1.844 20 0 CAADRP COCCN(C(=O)[C@@H](N)C[NH3+])C1CC[NH+](C)CC1 ZINC001160441961 779960234 /nfs/dbraw/zinc/96/02/34/779960234.db2.gz ZZOMKCFUMZUFPB-NSHDSACASA-N 2 0 258.366 -1.158 20 0 CAADRP C[C@@H]1C(=O)NCCN1C(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001160451393 779961328 /nfs/dbraw/zinc/96/13/28/779961328.db2.gz NQOXWPRFVXMUCS-BDAKNGLRSA-N 2 0 252.318 -1.858 20 0 CAADRP O=C([C@H]1C[NH2+]C[C@H]1O)N1CC[NH+](C2CCOCC2)CC1 ZINC001160491161 779962119 /nfs/dbraw/zinc/96/21/19/779962119.db2.gz VLYJYNVFSXKVIB-QWHCGFSZSA-N 2 0 283.372 -1.110 20 0 CAADRP CCN(CCC(N)=O)C(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001160471281 779962594 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CS(=O)(=O)N(CC[NH3+])CC(=O)N1CCC([NH3+])CC1 ZINC001160514254 779964072 /nfs/dbraw/zinc/96/40/72/779964072.db2.gz RMONEMIJGODVMQ-UHFFFAOYSA-N 2 0 278.378 -1.844 20 0 CAADRP CN(C)C(=O)CN(C)C(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001160505556 779963974 /nfs/dbraw/zinc/96/39/74/779963974.db2.gz YPCMCKZOVTUECO-ZWNOBZJWSA-N 2 0 268.361 -1.268 20 0 CAADRP CN(C)C(=O)CN(C)C(=O)[C@@H]([NH3+])CSCC[NH3+] ZINC001160504970 779964209 /nfs/dbraw/zinc/96/42/09/779964209.db2.gz RLZVAHPTWIQKAT-QMMMGPOBSA-N 2 0 262.379 -1.448 20 0 CAADRP [NH3+]C1CCN(C(=O)[C@H]2COC3(C[NH2+]C3)CN2)CC1 ZINC001160510938 779964386 /nfs/dbraw/zinc/96/43/86/779964386.db2.gz HRYVXRJXSDGNLL-SNVBAGLBSA-N 2 0 254.334 -1.734 20 0 CAADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)N1CC(CO)C1 ZINC001160531593 779964680 /nfs/dbraw/zinc/96/46/80/779964680.db2.gz VDZBORKNCZLPPB-NSHDSACASA-N 2 0 256.350 -1.813 20 0 CAADRP N=c1nc([C@@H]2CCC[NH2+]2)ccn1C(=O)[C@H]1C[NH2+]C[C@@H]1N ZINC001160542164 779965021 /nfs/dbraw/zinc/96/50/21/779965021.db2.gz PHSDYZKIPIKUCJ-GUBZILKMSA-N 2 0 276.344 -1.026 20 0 CAADRP COC(=O)CN1CCN(C(=O)[C@@H]([NH3+])CCC[NH3+])CC1 ZINC001160531330 779965577 /nfs/dbraw/zinc/96/55/77/779965577.db2.gz LQNQOYZZXMRHKA-JTQLQIEISA-N 2 0 272.349 -1.630 20 0 CAADRP NC(=O)[C@@H]1CCN(C(=O)[C@@H]([NH3+])C2CC[NH2+]CC2)C1 ZINC001160548084 779965721 /nfs/dbraw/zinc/96/57/21/779965721.db2.gz CIQLNAFWXBJRRL-ZJUUUORDSA-N 2 0 254.334 -1.353 20 0 CAADRP CCOC(=O)[C@H]1CN(C(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)CCO1 ZINC001160596133 779968483 /nfs/dbraw/zinc/96/84/83/779968483.db2.gz CPKSVUBXORQPPN-WDEREUQCSA-N 2 0 297.355 -1.414 20 0 CAADRP CCOC(=O)[C@@H]1CN(C(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)CCO1 ZINC001160596131 779968523 /nfs/dbraw/zinc/96/85/23/779968523.db2.gz CPKSVUBXORQPPN-MNOVXSKESA-N 2 0 297.355 -1.414 20 0 CAADRP COC(=O)C[C@@H]1CN(C(=O)[C@H]([NH3+])CCC[NH3+])CCO1 ZINC001160596200 779968604 /nfs/dbraw/zinc/96/86/04/779968604.db2.gz LTHGDHGQKJFEGI-NXEZZACHSA-N 2 0 273.333 -1.157 20 0 CAADRP CN1CCN(C2CN(C(=O)[C@@H]([NH3+])CCCC[NH3+])C2)CC1=O ZINC001160635610 779969478 /nfs/dbraw/zinc/96/94/78/779969478.db2.gz LCJQFDINYUHTSD-LBPRGKRZSA-N 2 0 297.403 -1.573 20 0 CAADRP O=C([C@H]1C[NH2+]CC12C[NH2+]C2)N1CCN(CCF)CC1 ZINC001160628432 779969957 /nfs/dbraw/zinc/96/99/57/779969957.db2.gz DHKSIWHVWJHIOZ-LLVKDONJSA-N 2 0 270.352 -1.091 20 0 CAADRP CN1CCN(C2CN(C(=O)[C@H]([NH3+])CCC[NH3+])C2)CC1=O ZINC001160637669 779970942 /nfs/dbraw/zinc/97/09/42/779970942.db2.gz VJHVDUYXSUDXCX-LLVKDONJSA-N 2 0 283.376 -1.963 20 0 CAADRP O=C(N1CCN2C(=O)OC[C@H]2C1)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001160640399 779971032 /nfs/dbraw/zinc/97/10/32/779971032.db2.gz ALQQXKACMATLKK-JTNHKYCSSA-N 2 0 294.355 -1.152 20 0 CAADRP [NH3+]CCC[C@@H]([NH3+])C(=O)N1CCN2C(=O)OC[C@H]2C1 ZINC001160641166 779971904 /nfs/dbraw/zinc/97/19/04/779971904.db2.gz WSINQXLYRMBSKL-RKDXNWHRSA-N 2 0 256.306 -1.284 20 0 CAADRP [NH3+]C[C@H]1CN(C(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3N2)CCO1 ZINC001160643702 779972058 /nfs/dbraw/zinc/97/20/58/779972058.db2.gz MRIJLCHAHGCMOY-XWLWVQCSSA-N 2 0 254.334 -1.878 20 0 CAADRP C[NH+](C)C1(C)CN(C(=O)[C@@H]2COC3(C[NH2+]C3)CN2)C1 ZINC001160644955 779972109 /nfs/dbraw/zinc/97/21/09/779972109.db2.gz KOIZUKHZGFHTTN-JTQLQIEISA-N 2 0 268.361 -1.521 20 0 CAADRP C[NH+](C)C1(C)CN(C(=O)[C@H]([NH3+])CCCNC(N)=O)C1 ZINC001160645095 779972175 /nfs/dbraw/zinc/97/21/75/779972175.db2.gz MGJRZLFUGVEUFS-SECBINFHSA-N 2 0 271.365 -1.075 20 0 CAADRP [NH3+]C[C@H]1CN(C(=O)[C@H]2COC3(C[NH2+]C3)CN2)CCO1 ZINC001160644120 779972313 /nfs/dbraw/zinc/97/23/13/779972313.db2.gz SRWNCCMOHOVVLV-VHSXEESVSA-N 2 0 270.333 -2.497 20 0 CAADRP [NH3+]C[C@H]1CN(C(=O)[C@@H]2C[C@@H]3CC[NH2+]C[C@H]3O2)CCO1 ZINC001160643391 779972351 /nfs/dbraw/zinc/97/23/51/779972351.db2.gz GHSUWHSXZNARRS-FIQHERPVSA-N 2 0 269.345 -1.061 20 0 CAADRP [NH3+][C@@H]1CCN(C(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3N2)C[C@H]1O ZINC001160652831 779973446 /nfs/dbraw/zinc/97/34/46/779973446.db2.gz MZLZNTDSSNTWNZ-OGBGREFGSA-N 2 0 254.334 -2.143 20 0 CAADRP [NH3+][C@@H]1CCN(C(=O)[C@@]23C[NH2+]C[C@@H]2CCN3)C[C@@H]1F ZINC001160647255 779973492 /nfs/dbraw/zinc/97/34/92/779973492.db2.gz CWLMWIUOVMZJEP-UXCLJVHYSA-N 2 0 256.325 -1.164 20 0 CAADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)N1CC[C@@H]([NH3+])[C@@H](F)C1 ZINC001160650203 779973674 /nfs/dbraw/zinc/97/36/74/779973674.db2.gz SXENOBQJNVBZAS-QJPTWQEYSA-N 3 0 287.383 -1.366 20 0 CAADRP [NH3+][C@@H]1CCN(C(=O)[C@@]23C[NH2+]C[C@H]2CCN3)C[C@@H]1F ZINC001160647252 779973769 /nfs/dbraw/zinc/97/37/69/779973769.db2.gz CWLMWIUOVMZJEP-DTHBNOIPSA-N 2 0 256.325 -1.164 20 0 CAADRP [NH3+][C@@H]1CCN(C(=O)[C@]23C[NH2+]C[C@H]2CCN3)C[C@@H]1F ZINC001160647254 779973851 /nfs/dbraw/zinc/97/38/51/779973851.db2.gz CWLMWIUOVMZJEP-KLBPJQLPSA-N 2 0 256.325 -1.164 20 0 CAADRP C[S@](=O)CC[C@H]([NH3+])C(=O)N1CC[C@@H]([NH3+])[C@@H](F)C1 ZINC001160650044 779973879 /nfs/dbraw/zinc/97/38/79/779973879.db2.gz QKWCDYXCRQTVAG-VDQFEOQNSA-N 2 0 265.354 -1.020 20 0 CAADRP [NH3+][C@@H]1CCN(C(=O)[C@H]2COC3(C[NH2+]C3)CN2)C[C@H]1O ZINC001160652805 779973890 /nfs/dbraw/zinc/97/38/90/779973890.db2.gz MERCQDWOSQOSNX-OPRDCNLKSA-N 2 0 270.333 -2.763 20 0 CAADRP [NH3+][C@@H]1CCN(C(=O)[C@H]2CCCN([C@H]3CC[NH2+]C3)C2)C[C@H]1O ZINC001160652726 779974103 /nfs/dbraw/zinc/97/41/03/779974103.db2.gz JTDDAOLAFBUPFB-IGQOVBAYSA-N 2 0 296.415 -1.019 20 0 CAADRP CC[C@H](C)[C@H]([NH3+])C(=O)NCC(=O)N1CC[C@@H]([NH3+])[C@H](O)C1 ZINC001160654723 779975029 /nfs/dbraw/zinc/97/50/29/779975029.db2.gz AGNNNGNKRINEOX-XNDJQWLSSA-N 2 0 286.376 -1.604 20 0 CAADRP NC(=[NH2+])NCCCCC(=O)N1CC[C@@H]([NH3+])[C@H](O)C1 ZINC001160654715 779975147 /nfs/dbraw/zinc/97/51/47/779975147.db2.gz AEMZWJXUCLIEGU-RKDXNWHRSA-N 2 0 257.338 -1.440 20 0 CAADRP CS(=O)(=O)NC1CN(C(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)C1 ZINC001160658194 779975216 /nfs/dbraw/zinc/97/52/16/779975216.db2.gz QFHPCKLNUWFRAR-SECBINFHSA-N 2 0 288.373 -2.445 20 0 CAADRP NC(=O)NCCC[C@@H]([NH3+])C(=O)N1CC[C@@H]([NH3+])[C@H](O)C1 ZINC001160652994 779975377 /nfs/dbraw/zinc/97/53/77/779975377.db2.gz TWZCALPWQJAEGV-IWSPIJDZSA-N 2 0 273.337 -2.317 20 0 CAADRP CS(=O)(=O)N(CC[NH3+])CC(=O)N1CC[C@@H]([NH3+])[C@H](O)C1 ZINC001160653001 779975490 /nfs/dbraw/zinc/97/54/90/779975490.db2.gz UFLJWCHIWFPQKM-RKDXNWHRSA-N 2 0 294.377 -2.873 20 0 CAADRP C[S@](=O)CC[C@H]([NH3+])C(=O)N1CC[C@@H]([NH3+])[C@H](O)C1 ZINC001160655123 779975564 /nfs/dbraw/zinc/97/55/64/779975564.db2.gz GVBFIRRBJSNXCN-YVRUXSQRSA-N 2 0 263.363 -1.997 20 0 CAADRP CC(=O)OC[C@H]([NH3+])C(=O)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC001160703839 779976487 /nfs/dbraw/zinc/97/64/87/779976487.db2.gz FUNWQJQXIDIXDE-AXFHLTTASA-N 2 0 255.318 -1.103 20 0 CAADRP C[N@H+]1C[C@H]2CN(C(=O)[C@H]([NH3+])CCCNC(N)=O)C[C@H]2C1 ZINC001160704377 779976570 /nfs/dbraw/zinc/97/65/70/779976570.db2.gz JUHWCPMGBRKABX-OUAUKWLOSA-N 2 0 283.376 -1.218 20 0 CAADRP COC(CN(C)C(=O)[C@H]1C[NH2+]CC12C[NH2+]C2)OC ZINC001160683981 779977301 /nfs/dbraw/zinc/97/73/01/779977301.db2.gz QJNZQWSNINUMOL-SECBINFHSA-N 2 0 257.334 -1.127 20 0 CAADRP CN(C[C@@H]1CCC[NH2+]C1)C(=O)[C@H]1COC2(C[NH2+]C2)CN1 ZINC001160696737 779977533 /nfs/dbraw/zinc/97/75/33/779977533.db2.gz YYVRJMRRUKIYHB-VXGBXAGGSA-N 2 0 282.388 -1.225 20 0 CAADRP C[N@H+]1C[C@H]2CN(C(=O)[C@@]34C[NH2+]C[C@@H]3CCN4)C[C@H]2C1 ZINC001160704567 779978000 /nfs/dbraw/zinc/97/80/00/779978000.db2.gz LVRKWAWRKSLCKO-KZVDOYCCSA-N 2 0 264.373 -1.042 20 0 CAADRP 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 779978111 /nfs/dbraw/zinc/97/81/11/779978111.db2.gz WWHXBBWMARVTMA-IEECTRCBSA-N 2 0 264.373 -1.044 20 0 CAADRP C[N@H+]1C[C@H]2CN(C(=O)[C@H]([NH3+])CN3CCC([NH3+])CC3)C[C@H]2C1 ZINC001160704651 779978226 /nfs/dbraw/zinc/97/82/26/779978226.db2.gz MQIRKGWJNIFSKK-MBNYWOFBSA-N 3 0 295.431 -1.243 20 0 CAADRP C[N@H+]1C[C@H]2CN(C(=O)[C@@H]3C[NH2+]CC34C[NH2+]C4)C[C@H]2C1 ZINC001160705631 779978250 /nfs/dbraw/zinc/97/82/50/779978250.db2.gz YAZAHESRHYGGPV-TUAOUCFPSA-N 3 0 264.373 -1.185 20 0 CAADRP C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC001160705163 779978316 /nfs/dbraw/zinc/97/83/16/779978316.db2.gz TVDBIOICHWPBQI-MMWGEVLESA-N 2 0 284.360 -2.169 20 0 CAADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N1CCO[C@H](C(N)=O)C1 ZINC001160705213 779978384 /nfs/dbraw/zinc/97/83/84/779978384.db2.gz UZMGJIOCSHABFG-UWVGGRQHSA-N 2 0 272.349 -1.584 20 0 CAADRP C[N@H+]1C[C@H]2CN(C(=O)[C@@H]([NH3+])CN3CCC([NH3+])CC3)C[C@H]2C1 ZINC001160704657 779978392 /nfs/dbraw/zinc/97/83/92/779978392.db2.gz MQIRKGWJNIFSKK-SCRDCRAPSA-N 3 0 295.431 -1.243 20 0 CAADRP NC(=O)[C@H]1CN(C(=O)[C@H]2CCC3(CC[NH2+]CC3)[NH2+]2)CCO1 ZINC001160705675 779978588 /nfs/dbraw/zinc/97/85/88/779978588.db2.gz ZNPUJECWBGNKRL-GHMZBOCLSA-N 2 0 296.371 -1.427 20 0 CAADRP C[N@H+]1C[C@H]2CN(C(=O)[C@@H]3COC4(C[NH2+]C4)CN3)C[C@H]2C1 ZINC001160705399 779978609 /nfs/dbraw/zinc/97/86/09/779978609.db2.gz XLAWWHIALAQHBB-TUAOUCFPSA-N 2 0 280.372 -1.663 20 0 CAADRP C[NH+](C)CCCC[C@H]([NH3+])C(=O)N1CCO[C@@H](C(N)=O)C1 ZINC001160704687 779978910 /nfs/dbraw/zinc/97/89/10/779978910.db2.gz MZYDLWWYZJJPIF-WDEREUQCSA-N 2 0 286.376 -1.242 20 0 CAADRP NC(=O)[C@@H]1CN(C(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)CCO1 ZINC001160705158 779979017 /nfs/dbraw/zinc/97/90/17/779979017.db2.gz SSQSSPWHSYYXQQ-GBIKHYSHSA-N 2 0 282.344 -2.102 20 0 CAADRP O=C([C@H]1COC2(C[NH2+]C2)CN1)N1CC[NH+]2CCC1CC2 ZINC001160725895 779979434 /nfs/dbraw/zinc/97/94/34/779979434.db2.gz GZXHRRURRDTQFF-GFCCVEGCSA-N 2 0 280.372 -1.377 20 0 CAADRP COC(=O)[C@H](C)N(C)C(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001160718820 779980147 /nfs/dbraw/zinc/98/01/47/779980147.db2.gz SWNMGZCOILAYEF-ONGXEEELSA-N 2 0 286.376 -1.243 20 0 CAADRP [NH3+]CCC[C@H]([NH3+])C(=O)N1CCC2(CC1)CNC(=O)CO2 ZINC001160771849 779980212 /nfs/dbraw/zinc/98/02/12/779980212.db2.gz HSMWANRXJKMWCJ-JTQLQIEISA-N 2 0 284.360 -1.440 20 0 CAADRP [NH3+]CCCC[C@H]([NH3+])CC(=O)N1CCN2C(=O)COC[C@@H]2C1 ZINC001160790084 779981350 /nfs/dbraw/zinc/98/13/50/779981350.db2.gz KKYVPNFHCQTGSJ-RYUDHWBXSA-N 2 0 298.387 -1.098 20 0 CAADRP [NH3+]CCSC[C@H]([NH3+])C(=O)N1CCn2nncc2C1 ZINC001160834056 779982553 /nfs/dbraw/zinc/98/25/53/779982553.db2.gz XSFJTMWZFZCIGY-VIFPVBQESA-N 2 0 270.362 -1.361 20 0 CAADRP CCOC(=O)[C@]12CN(C(=O)[C@H](CO)[NH2+]C)C[C@H]1C[NH2+]CC2 ZINC001160812668 779982654 /nfs/dbraw/zinc/98/26/54/779982654.db2.gz RCYBCIVVQJEKKQ-UHIISALHSA-N 2 0 299.371 -1.432 20 0 CAADRP CCOC(=O)[C@]12CN(C(=O)[C@@H](N)C[NH3+])C[C@H]1C[NH2+]CC2 ZINC001160811105 779982824 /nfs/dbraw/zinc/98/28/24/779982824.db2.gz JBDDGWMFBCEACH-GBIKHYSHSA-N 2 0 284.360 -1.726 20 0 CAADRP O=C([C@@H]1C[NH2+]CC12C[NH2+]C2)N1CCN2C(=O)COC[C@H]2C1 ZINC001160791208 779982894 /nfs/dbraw/zinc/98/28/94/779982894.db2.gz ZHCCAMKTSODFNM-MNOVXSKESA-N 2 0 294.355 -2.135 20 0 CAADRP C[NH+](C)C[C@H]1COCCN1C(=O)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001160837088 779983024 /nfs/dbraw/zinc/98/30/24/779983024.db2.gz BGFYPDVOIGHRPY-NWDGAFQWSA-N 3 0 282.388 -1.416 20 0 CAADRP CC(=O)OC[C@H]([NH3+])C(=O)N1CCOC[C@H]1C[NH+](C)C ZINC001160837132 779983851 /nfs/dbraw/zinc/98/38/51/779983851.db2.gz CGFRNHCEMMKKMH-MNOVXSKESA-N 2 0 273.333 -1.334 20 0 CAADRP C[NH+](C)C[C@H]1COCCN1C(=O)[C@H]1C[NH2+]C[C@@H]1N ZINC001160837501 779983884 /nfs/dbraw/zinc/98/38/84/779983884.db2.gz ADZGBFXJMYDZBS-DCAQKATOSA-N 2 0 256.350 -1.678 20 0 CAADRP C[NH+](C)C[C@@H]1COCCN1C(=O)[C@@H]1C[C@H](O)C[NH2+]1 ZINC001160839977 779983953 /nfs/dbraw/zinc/98/39/53/779983953.db2.gz SJWMLSDLWDPNLH-VWYCJHECSA-N 2 0 257.334 -1.502 20 0 CAADRP C[NH+](C)C[C@@H]1COCCN1C(=O)[C@@H]([NH3+])CC[S@](C)=O ZINC001160840460 779983979 /nfs/dbraw/zinc/98/39/79/779983979.db2.gz WVESJTGEEBLDDH-FDMGOTLNSA-N 2 0 291.417 -1.129 20 0 CAADRP C[NH+](C)C[C@@H]1COCCN1C(=O)[C@@]1(N)CCC[NH2+]C1 ZINC001160838579 779984008 /nfs/dbraw/zinc/98/40/08/779984008.db2.gz KDWDWMSKLDINIA-DGCLKSJQSA-N 2 0 270.377 -1.144 20 0 CAADRP C[NH+](C)C[C@@H]1COCCN1C(=O)[C@@H]([NH3+])CC[S@@](C)=O ZINC001160840462 779984062 /nfs/dbraw/zinc/98/40/62/779984062.db2.gz WVESJTGEEBLDDH-RMDKCXRXSA-N 2 0 291.417 -1.129 20 0 CAADRP C[NH+](C)C[C@@H]1COCCN1C(=O)[C@@H]([NH3+])CSCC[NH3+] ZINC001160839095 779984078 /nfs/dbraw/zinc/98/40/78/779984078.db2.gz NEBGNHMESZTPRG-MNOVXSKESA-N 3 0 290.433 -1.205 20 0 CAADRP C[NH+](C)C[C@H]1COCCN1C(=O)[C@H]1[NH2+]CC[C@H]1O ZINC001160839170 779984092 /nfs/dbraw/zinc/98/40/92/779984092.db2.gz OABNPFDIDUYTPZ-AXFHLTTASA-N 2 0 257.334 -1.502 20 0 CAADRP C[NH+](C)C[C@@H]1COCCN1C(=O)[C@]1(N)CCC[NH2+]C1 ZINC001160838582 779984113 /nfs/dbraw/zinc/98/41/13/779984113.db2.gz KDWDWMSKLDINIA-YPMHNXCESA-N 2 0 270.377 -1.144 20 0 CAADRP C[NH+](C)C[C@@H]1COCCN1C(=O)[C@H]1C[C@@H](O)C[NH2+]1 ZINC001160839443 779984176 /nfs/dbraw/zinc/98/41/76/779984176.db2.gz SJWMLSDLWDPNLH-GMTAPVOTSA-N 2 0 257.334 -1.502 20 0 CAADRP C[NH+](C)C[C@@H]1COCCN1C(=O)[C@H]1[NH2+]CC[C@@H]1O ZINC001160839176 779984191 /nfs/dbraw/zinc/98/41/91/779984191.db2.gz OABNPFDIDUYTPZ-VWYCJHECSA-N 2 0 257.334 -1.502 20 0 CAADRP C[NH+](C)C[C@H]1COCCN1C(=O)[C@@H]([NH3+])CC[S@](C)=O ZINC001160840458 779984218 /nfs/dbraw/zinc/98/42/18/779984218.db2.gz WVESJTGEEBLDDH-ADWYPQAOSA-N 2 0 291.417 -1.129 20 0 CAADRP C[NH+](C)C[C@@H]1COCCN1C(=O)C1(N)CC[NH2+]CC1 ZINC001160839394 779984289 /nfs/dbraw/zinc/98/42/89/779984289.db2.gz PLDLCBKYZWMNSZ-LLVKDONJSA-N 2 0 270.377 -1.144 20 0 CAADRP C[NH+](C)C[C@H]1COCCN1C(=O)[C@]1(N)CC[NH2+]C1 ZINC001160837917 779984336 /nfs/dbraw/zinc/98/43/36/779984336.db2.gz FTDZRDSPRCDODE-JQWIXIFHSA-N 2 0 256.350 -1.534 20 0 CAADRP C[NH+](C)C[C@@H]1COCCN1C(=O)[C@H]1COC2(C[NH2+]C2)CN1 ZINC001160838147 779984351 /nfs/dbraw/zinc/98/43/51/779984351.db2.gz KZRWJIWVIRGCOL-VXGBXAGGSA-N 2 0 298.387 -1.894 20 0 CAADRP C[NH+](C)C[C@H]1COCCN1C(=O)[C@@H]([NH3+])CSCC[NH3+] ZINC001160839106 779984413 /nfs/dbraw/zinc/98/44/13/779984413.db2.gz NEBGNHMESZTPRG-QWRGUYRKSA-N 3 0 290.433 -1.205 20 0 CAADRP COC(=O)[C@@H]1CN(C(=O)[C@H]([NH3+])C2CC[NH2+]CC2)CCN1C ZINC001160871441 779985226 /nfs/dbraw/zinc/98/52/26/779985226.db2.gz VJKGCWPUWRIRPV-NWDGAFQWSA-N 2 0 298.387 -1.371 20 0 CAADRP COC(=O)[C@H]1CN(C(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)CCN1C ZINC001160871594 779985516 /nfs/dbraw/zinc/98/55/16/779985516.db2.gz XWKZZDIRONYIOZ-WDEREUQCSA-N 2 0 296.371 -1.889 20 0 CAADRP COC(=O)[C@H]1CN(C(=O)[C@@H]([NH3+])C2CC[NH2+]CC2)CCN1C ZINC001160871439 779985634 /nfs/dbraw/zinc/98/56/34/779985634.db2.gz VJKGCWPUWRIRPV-NEPJUHHUSA-N 2 0 298.387 -1.371 20 0 CAADRP COC(=O)[C@H]1CN(C(=O)[C@H]([NH3+])C2CC[NH2+]CC2)CCN1C ZINC001160871445 779985640 /nfs/dbraw/zinc/98/56/40/779985640.db2.gz VJKGCWPUWRIRPV-VXGBXAGGSA-N 2 0 298.387 -1.371 20 0 CAADRP COC(=O)[C@@H]1CN(C(=O)[C@H]([NH3+])CCC[NH3+])CCN1C ZINC001160871031 779985673 /nfs/dbraw/zinc/98/56/73/779985673.db2.gz PPBZDAXXZUCYLI-ZJUUUORDSA-N 2 0 272.349 -1.632 20 0 CAADRP O=C(N(c1ncccn1)C1C[NH2+]C1)[C@@]12C[NH2+]C[C@@H]1CCN2 ZINC001160916106 779986518 /nfs/dbraw/zinc/98/65/18/779986518.db2.gz UYAKGBADJBXVLV-IINYFYTJSA-N 2 0 288.355 -1.267 20 0 CAADRP O=C([C@@H]1C[NH2+]C[C@@H]1O)N(c1ncccn1)C1C[NH2+]C1 ZINC001160915824 779986624 /nfs/dbraw/zinc/98/66/24/779986624.db2.gz NQALZTRBBJIVCR-ZJUUUORDSA-N 2 0 263.301 -1.638 20 0 CAADRP [NH3+]CCC[C@@H]([NH3+])C(=O)N(c1ncccn1)C1C[NH2+]C1 ZINC001160915540 779986691 /nfs/dbraw/zinc/98/66/91/779986691.db2.gz CMKXROOEDPSYQW-SNVBAGLBSA-N 3 0 264.333 -1.152 20 0 CAADRP O=C([C@H]1C[NH2+]C[C@@H]1O)N(c1ncccn1)C1C[NH2+]C1 ZINC001160915822 779986700 /nfs/dbraw/zinc/98/67/00/779986700.db2.gz NQALZTRBBJIVCR-UWVGGRQHSA-N 2 0 263.301 -1.638 20 0 CAADRP N[C@]1(C(=O)N(c2ncccn2)C2C[NH2+]C2)CC[NH2+]C1 ZINC001160916091 779986752 /nfs/dbraw/zinc/98/67/52/779986752.db2.gz UORGQBHPOVZWMS-GFCCVEGCSA-N 2 0 262.317 -1.528 20 0 CAADRP C[S@@](=O)CC[C@H]([NH3+])C(=O)N(c1ncccn1)C1C[NH2+]C1 ZINC001160915483 779986761 /nfs/dbraw/zinc/98/67/61/779986761.db2.gz AOAOPXLVQGINGS-WVDJIFEKSA-N 2 0 297.384 -1.123 20 0 CAADRP O=C([C@@H]1C[NH2+]C[C@H]1O)N(c1ncccn1)C1C[NH2+]C1 ZINC001160915821 779986867 /nfs/dbraw/zinc/98/68/67/779986867.db2.gz NQALZTRBBJIVCR-NXEZZACHSA-N 2 0 263.301 -1.638 20 0 CAADRP O=C([C@H]1[NH2+]CC[C@@H]1O)N(c1ncccn1)C1C[NH2+]C1 ZINC001160915620 779986873 /nfs/dbraw/zinc/98/68/73/779986873.db2.gz GWGUFVLYBUGNGC-UWVGGRQHSA-N 2 0 263.301 -1.496 20 0 CAADRP O=C(N(c1ncccn1)C1C[NH2+]C1)[C@@]12C[NH2+]C[C@H]1CCN2 ZINC001160916107 779986903 /nfs/dbraw/zinc/98/69/03/779986903.db2.gz UYAKGBADJBXVLV-QMTHXVAHSA-N 2 0 288.355 -1.267 20 0 CAADRP C[NH+](C)C[C@@]12C[C@@H]1CN(C(=O)[C@@H]1C[NH2+]CCN1)C2 ZINC001160962665 779987377 /nfs/dbraw/zinc/98/73/77/779987377.db2.gz FWBGLGFNPBFZGE-NTZNESFSSA-N 2 0 252.362 -1.042 20 0 CAADRP [NH3+][C@H]1CN[C@H](C(=O)N(c2ncccn2)C2C[NH2+]C2)C1 ZINC001160916520 779987780 /nfs/dbraw/zinc/98/77/80/779987780.db2.gz ZHYAUPCIQNZXBE-SCZZXKLOSA-N 2 0 262.317 -1.529 20 0 CAADRP O=C([C@H]1CO[C@@H]2C[NH2+]C[C@H]12)N1CC(O)([C@H]2CCCC[NH2+]2)C1 ZINC001161000321 779988629 /nfs/dbraw/zinc/98/86/29/779988629.db2.gz RVBYZCFKMSOHTE-YVECIDJPSA-N 2 0 295.383 -1.064 20 0 CAADRP [NH3+]CCC[C@@H]([NH3+])C(=O)N1CC(O)([C@H]2CCCC[NH2+]2)C1 ZINC001161000429 779988651 /nfs/dbraw/zinc/98/86/51/779988651.db2.gz SOONBZXNXZFTMV-GHMZBOCLSA-N 3 0 270.377 -1.232 20 0 CAADRP O=C([C@@H]1C[C@H]2C[NH2+]C[C@H]2N1)N1CC(O)([C@H]2CCCC[NH2+]2)C1 ZINC001160999902 779988660 /nfs/dbraw/zinc/98/86/60/779988660.db2.gz MTBCKWATEJPDMK-WUHRBBMRSA-N 2 0 294.399 -1.348 20 0 CAADRP N[C@]1(C(=O)N2CC(O)([C@@H]3CCCC[NH2+]3)C2)CCC[NH2+]C1 ZINC001161009178 779988748 /nfs/dbraw/zinc/98/87/48/779988748.db2.gz TXUPUXYBVBPATO-WCQYABFASA-N 2 0 282.388 -1.217 20 0 CAADRP [NH3+][C@H](Cc1cnc[nH]1)C(=O)N1CC(O)([C@@H]2CCCC[NH2+]2)C1 ZINC001161000324 779988887 /nfs/dbraw/zinc/98/88/87/779988887.db2.gz RWZPYMOROWQLSH-NEPJUHHUSA-N 3 0 293.371 -1.005 20 0 CAADRP C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N1C[C@@H]([NH3+])CC(F)(F)C1 ZINC001160972147 779988935 /nfs/dbraw/zinc/98/89/35/779988935.db2.gz PJAAQBIRDLPBGJ-FXQIFTODSA-N 2 0 294.302 -1.994 20 0 CAADRP N[C@@]1(C(=O)N2CC(O)([C@@H]3CCCC[NH2+]3)C2)CCC[NH2+]C1 ZINC001161009176 779989269 /nfs/dbraw/zinc/98/92/69/779989269.db2.gz TXUPUXYBVBPATO-AAEUAGOBSA-N 2 0 282.388 -1.217 20 0 CAADRP C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N1C[C@H]([NH3+])CC(F)(F)C1 ZINC001160972148 779989361 /nfs/dbraw/zinc/98/93/61/779989361.db2.gz PJAAQBIRDLPBGJ-RNJXMRFFSA-N 2 0 294.302 -1.994 20 0 CAADRP N[C@@]1(C(=O)N2CC(O)([C@@H]3CCCC[NH2+]3)C2)CC[NH2+]C1 ZINC001161008741 779989392 /nfs/dbraw/zinc/98/93/92/779989392.db2.gz REDNZGVEOJPLHK-JQWIXIFHSA-N 2 0 268.361 -1.607 20 0 CAADRP O=C([C@H]1C[NH2+]CCN1)N1CC(O)([C@@H]2CCCC[NH2+]2)C1 ZINC001161009707 779989475 /nfs/dbraw/zinc/98/94/75/779989475.db2.gz WZACEAOSKWWYNK-MNOVXSKESA-N 2 0 268.361 -1.737 20 0 CAADRP [NH3+][C@H]1CN(C(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)CC(F)(F)C1 ZINC001160968297 779989480 /nfs/dbraw/zinc/98/94/80/779989480.db2.gz SCVPOERYMCICCE-BDAKNGLRSA-N 3 0 274.315 -1.010 20 0 CAADRP O=C(N1CC(O)([C@@H]2CCCC[NH2+]2)C1)[C@]12C[NH2+]C[C@@H]1CCN2 ZINC001161000468 779989493 /nfs/dbraw/zinc/98/94/93/779989493.db2.gz TUXLDSFRDYTYIX-HUBLWGQQSA-N 2 0 294.399 -1.347 20 0 CAADRP O=C([C@H]1[NH2+]CC[C@@H]1O)N1CC(O)([C@H]2CCCC[NH2+]2)C1 ZINC001161006382 779989513 /nfs/dbraw/zinc/98/95/13/779989513.db2.gz CHZDFGDEYNVKLB-AXFHLTTASA-N 2 0 269.345 -1.575 20 0 CAADRP [NH3+]CCNCC(=O)N1CC(O)([C@H]2CCCC[NH2+]2)C1 ZINC001161007562 779989551 /nfs/dbraw/zinc/98/95/51/779989551.db2.gz LBIYVJCQKPXPFR-SNVBAGLBSA-N 2 0 256.350 -1.750 20 0 CAADRP O=C([C@@H]1C[NH2+]C[C@@H]1O)N1CC(O)([C@H]2CCCC[NH2+]2)C1 ZINC001161008475 779989615 /nfs/dbraw/zinc/98/96/15/779989615.db2.gz OVCDOJANULLMDU-OUAUKWLOSA-N 2 0 269.345 -1.718 20 0 CAADRP O=C([C@H]1C[NH2+]CC12C[NH2+]C2)N1CC(O)([C@@H]2CCCC[NH2+]2)C1 ZINC001160999274 779989633 /nfs/dbraw/zinc/98/96/33/779989633.db2.gz ALGSQSAZKRGWTC-NEPJUHHUSA-N 3 0 294.399 -1.489 20 0 CAADRP NC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CSCC[NH3+] ZINC001161034168 779990232 /nfs/dbraw/zinc/99/02/32/779990232.db2.gz BEFWCKDPBWPGOR-YUMQZZPRSA-N 2 0 260.363 -1.518 20 0 CAADRP CC(=O)O[C@@H]1C[NH2+]C[C@H]1C(=O)N1CC[NH2+][C@H](C)C1 ZINC001161017101 779990261 /nfs/dbraw/zinc/99/02/61/779990261.db2.gz FOGSQTLXIOLPRX-FBIMIBRVSA-N 2 0 255.318 -1.042 20 0 CAADRP C[C@@H]1CN(C(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)CC[NH2+]1 ZINC001161020055 779990383 /nfs/dbraw/zinc/99/03/83/779990383.db2.gz LTIXJNMRWPLDPK-ZYHUDNBSSA-N 3 0 269.393 -1.443 20 0 CAADRP C[C@H]([NH3+])C(=O)N[C@H](CCC(=O)N1CC[NH2+][C@H](C)C1)C(N)=O ZINC001161020595 779990422 /nfs/dbraw/zinc/99/04/22/779990422.db2.gz RNOAUSGVRGTUFY-KXUCPTDWSA-N 2 0 299.375 -2.096 20 0 CAADRP C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N1CC[NH2+][C@H](C)C1 ZINC001161020588 779990470 /nfs/dbraw/zinc/99/04/70/779990470.db2.gz QYVJPEMUXWUPCK-VGMNWLOBSA-N 2 0 258.322 -2.369 20 0 CAADRP CC(=O)O[C@H]1C[NH2+]C[C@@H]1C(=O)N1CC[NH2+][C@H](C)C1 ZINC001161017103 779990563 /nfs/dbraw/zinc/99/05/63/779990563.db2.gz FOGSQTLXIOLPRX-MIMYLULJSA-N 2 0 255.318 -1.042 20 0 CAADRP C[C@@H]1CN(C(=O)[C@H]([NH3+])CCCNC(N)=O)CC[NH2+]1 ZINC001161014810 779990949 /nfs/dbraw/zinc/99/09/49/779990949.db2.gz PYXBLMTZOCTPAY-RKDXNWHRSA-N 2 0 257.338 -1.418 20 0 CAADRP C[C@@H]1CN(C(=O)[C@H]2COC3(C[NH2+]C3)CN2)CC[NH2+]1 ZINC001161015627 779991071 /nfs/dbraw/zinc/99/10/71/779991071.db2.gz HLYVTTQAXZQXMY-NXEZZACHSA-N 2 0 254.334 -1.863 20 0 CAADRP C[C@@H]1CN(C(=O)[C@@H]([NH3+])CCCNC(N)=O)CC[NH2+]1 ZINC001161014809 779991312 /nfs/dbraw/zinc/99/13/12/779991312.db2.gz PYXBLMTZOCTPAY-BDAKNGLRSA-N 2 0 257.338 -1.418 20 0 CAADRP C[C@@H]1CN(C(=O)[C@H]2CNC(=O)C23CC[NH2+]CC3)CC[NH2+]1 ZINC001161014747 779991452 /nfs/dbraw/zinc/99/14/52/779991452.db2.gz MFEOQEUSTIOBSU-GHMZBOCLSA-N 2 0 280.372 -1.078 20 0 CAADRP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N1CC[NH2+][C@H](C)C1 ZINC001161020529 779991580 /nfs/dbraw/zinc/99/15/80/779991580.db2.gz OOZMVIYZWMFTIO-VGMNWLOBSA-N 2 0 285.348 -2.486 20 0 CAADRP NC(=O)[C@@H]1CCCN1C(=O)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001161034889 779991591 /nfs/dbraw/zinc/99/15/91/779991591.db2.gz OJMYOPFIALUNJH-BDAKNGLRSA-N 2 0 252.318 -1.728 20 0 CAADRP C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N(C)C1(C)CC[NH2+]CC1 ZINC001161072858 779992100 /nfs/dbraw/zinc/99/21/00/779992100.db2.gz HLUYNNHPKWFTDZ-UWVGGRQHSA-N 2 0 286.376 -1.589 20 0 CAADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)[C@@H]3COC4(C[NH2+]C4)CN3)C[C@@H]21 ZINC001161082875 779992516 /nfs/dbraw/zinc/99/25/16/779992516.db2.gz PZAWAHNVAVTDIN-AGIUHOORSA-N 2 0 294.399 -1.131 20 0 CAADRP CN(C(=O)[C@@H]1COC2(C[NH2+]C2)CN1)C1(C)CC[NH2+]CC1 ZINC001161067295 779992883 /nfs/dbraw/zinc/99/28/83/779992883.db2.gz HMSFTPICVVJZIT-NSHDSACASA-N 2 0 282.388 -1.083 20 0 CAADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)N1C[C@@H]2C[C@H]1C(=O)O2 ZINC001161084715 779994106 /nfs/dbraw/zinc/99/41/06/779994106.db2.gz ICAVVCCQDJMVIP-DCAQKATOSA-N 2 0 282.344 -1.737 20 0 CAADRP CCOC(=O)[C@@H]1COCCN1C(=O)[C@H]([NH3+])CCC[NH3+] ZINC001161093339 779994290 /nfs/dbraw/zinc/99/42/90/779994290.db2.gz LLMRJZJXPTWQIW-ZJUUUORDSA-N 2 0 273.333 -1.157 20 0 CAADRP CCOC(=O)[C@@H]1COCCN1C(=O)[C@@H]([NH3+])CCC[NH3+] ZINC001161093336 779994318 /nfs/dbraw/zinc/99/43/18/779994318.db2.gz LLMRJZJXPTWQIW-UWVGGRQHSA-N 2 0 273.333 -1.157 20 0 CAADRP [NH3+]CCSC[C@H]([NH3+])C(=O)N1C[C@@H]2C[C@H]1C(=O)O2 ZINC001161084287 779994578 /nfs/dbraw/zinc/99/45/78/779994578.db2.gz FHFIEJNJORHGFR-FXQIFTODSA-N 2 0 259.331 -1.468 20 0 CAADRP O=C([C@H]1C[NH2+]CC12C[NH2+]C2)N1C[C@@H]2C[C@H]1C(=O)O2 ZINC001161085165 779994749 /nfs/dbraw/zinc/99/47/49/779994749.db2.gz OMNUNSCZBYYBJK-YIZRAAEISA-N 2 0 251.286 -1.678 20 0 CAADRP CCOC(=O)[C@H]1COCCN1C(=O)[C@@H]([NH3+])CCC[NH3+] ZINC001161093337 779994778 /nfs/dbraw/zinc/99/47/78/779994778.db2.gz LLMRJZJXPTWQIW-VHSXEESVSA-N 2 0 273.333 -1.157 20 0 CAADRP [NH3+][C@H](C(=O)N1C[C@@H]2C[C@H]1C(=O)O2)C1CC[NH2+]CC1 ZINC001161085418 779994859 /nfs/dbraw/zinc/99/48/59/779994859.db2.gz WYPDHNNGGJFYLW-GUBZILKMSA-N 2 0 253.302 -1.160 20 0 CAADRP CCOC(=O)[C@H]1COCCN1C(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001161093758 779995602 /nfs/dbraw/zinc/99/56/02/779995602.db2.gz WIKZUAPHDSZIQT-WDEREUQCSA-N 2 0 297.355 -1.414 20 0 CAADRP CN(CCO)C(=O)[C@H]1C[N@H+](C)CC2(CC[NH2+]CC2)O1 ZINC001161107167 779997232 /nfs/dbraw/zinc/99/72/32/779997232.db2.gz BBHBEEJNFHPPOD-LLVKDONJSA-N 2 0 271.361 -1.110 20 0 CAADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N1CC[C@](N)(C(=O)OC)C1 ZINC001161138224 779997745 /nfs/dbraw/zinc/99/77/45/779997745.db2.gz PWYTXCREPLEKPG-GXFFZTMASA-N 2 0 286.376 -1.194 20 0 CAADRP COC(=O)[C@]1(N)CCN(C(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)C1 ZINC001161138355 779998073 /nfs/dbraw/zinc/99/80/73/779998073.db2.gz STCOGVGGGAQEAW-HONMWMINSA-N 2 0 296.371 -1.712 20 0 CAADRP CCOC(=O)CN(CCC[NH3+])C(=O)C[C@@H](O)C[NH3+] ZINC001161153290 779998622 /nfs/dbraw/zinc/99/86/22/779998622.db2.gz GHDCSRSUIISMAX-SECBINFHSA-N 2 0 261.322 -1.563 20 0 CAADRP COC(=O)[C@@]1(N)CCN(C(=O)C[NH2+]CCC[NH3+])C1 ZINC001161139221 779998736 /nfs/dbraw/zinc/99/87/36/779998736.db2.gz NLOVNYHKLBMQGB-LLVKDONJSA-N 2 0 258.322 -1.972 20 0 CAADRP COC(=O)[C@@]1(N)CCN(C(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)C1 ZINC001161138781 779998796 /nfs/dbraw/zinc/99/87/96/779998796.db2.gz ZCBVWTPRNRIVHR-TVQRCGJNSA-N 2 0 282.344 -2.102 20 0 CAADRP COC(=O)[C@]1(N)CCN(C(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)C1 ZINC001161138780 779998831 /nfs/dbraw/zinc/99/88/31/779998831.db2.gz ZCBVWTPRNRIVHR-RNCFNFMXSA-N 2 0 282.344 -2.102 20 0 CAADRP CCOC(=O)CN(CCC[NH3+])C(=O)[C@@H]([NH3+])COC(C)=O ZINC001161153254 779998845 /nfs/dbraw/zinc/99/88/45/779998845.db2.gz FHVYVJIZZJMETK-JTQLQIEISA-N 2 0 289.332 -1.383 20 0 CAADRP COC(=O)[C@@]1(N)CCN(C(=O)[C@@H]([NH3+])C2CC[NH2+]CC2)C1 ZINC001161139429 779998934 /nfs/dbraw/zinc/99/89/34/779998934.db2.gz TXIXREHIPZKOSM-GXFFZTMASA-N 2 0 284.360 -1.584 20 0 CAADRP CCOC(=O)CN(CCC[NH3+])C(=O)C[C@H](O)C[NH3+] ZINC001161153291 779999326 /nfs/dbraw/zinc/99/93/26/779999326.db2.gz GHDCSRSUIISMAX-VIFPVBQESA-N 2 0 261.322 -1.563 20 0 CAADRP CCOC(=O)CN(CCC[NH3+])C(=O)[C@H]1[NH2+]CC[C@H]1O ZINC001161158905 779999916 /nfs/dbraw/zinc/99/99/16/779999916.db2.gz PORAWYFACVMLCI-KOLCDFICSA-N 2 0 273.333 -1.550 20 0 CAADRP CCOC(=O)CN(CCC[NH3+])C(=O)[C@@H]1C[C@H]([NH3+])CN1 ZINC001161158660 779999946 /nfs/dbraw/zinc/99/99/46/779999946.db2.gz ZKJKPLOTMVWRBI-UWVGGRQHSA-N 2 0 272.349 -1.584 20 0 CAADRP CCOC(=O)CN(CCC[NH3+])C(=O)[C@@]12C[NH2+]C[C@H]1CCN2 ZINC001161158549 780000413 /nfs/dbraw/zinc/00/04/13/780000413.db2.gz WSFFRSXIMHQLGT-BXUZGUMPSA-N 2 0 298.387 -1.322 20 0 CAADRP CCOC(=O)CN(CCC[NH3+])C(=O)[C@@H]1C[C@H](O)C[NH2+]1 ZINC001161158047 780000508 /nfs/dbraw/zinc/00/05/08/780000508.db2.gz OKAUBERTOVXCTE-UWVGGRQHSA-N 2 0 273.333 -1.550 20 0 CAADRP CCOC(=O)CN(CCC[NH3+])C(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1 ZINC001161157353 780000622 /nfs/dbraw/zinc/00/06/22/780000622.db2.gz BRPFEYLKZHOWSN-SDDRHHMPSA-N 2 0 298.387 -1.323 20 0 CAADRP CCOC(=O)CN(CCC[NH3+])C(=O)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001161158466 780000822 /nfs/dbraw/zinc/00/08/22/780000822.db2.gz VMPOIKXLNBDGEK-LLVKDONJSA-N 3 0 298.387 -1.464 20 0 CAADRP CN(C(=O)[C@H]1COC2(C[NH2+]C2)CN1)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001161219834 780001397 /nfs/dbraw/zinc/00/13/97/780001397.db2.gz UICGLDLVYFYRAS-YTWAJWBKSA-N 2 0 266.345 -2.007 20 0 CAADRP [NH3+]C[C@@]1(F)CCN(C(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)C1 ZINC001161239360 780001473 /nfs/dbraw/zinc/00/14/73/780001473.db2.gz JVDGAWZDILWUPV-SKDRFNHKSA-N 3 0 256.325 -1.305 20 0 CAADRP CN(C(=O)[C@H]([NH3+])C1CC[NH2+]CC1)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001161221231 780001502 /nfs/dbraw/zinc/00/15/02/780001502.db2.gz KXBQKJPQRRPCGT-KXNHARMFSA-N 3 0 252.362 -1.011 20 0 CAADRP CN(C(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001161220696 780001515 /nfs/dbraw/zinc/00/15/15/780001515.db2.gz GHHDTCLDRUZSRL-QNWHQSFQSA-N 3 0 281.404 -1.587 20 0 CAADRP CN(C(=O)[C@@H]([NH3+])C1CC[NH2+]CC1)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001161221232 780001595 /nfs/dbraw/zinc/00/15/95/780001595.db2.gz KXBQKJPQRRPCGT-WHOHXGKFSA-N 3 0 252.362 -1.011 20 0 CAADRP CN(C(=O)[C@@H]1COC2(C[NH2+]C2)CN1)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001161219835 780002158 /nfs/dbraw/zinc/00/21/58/780002158.db2.gz UICGLDLVYFYRAS-ZRUFSTJUSA-N 2 0 266.345 -2.007 20 0 CAADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)N1CCC(O)CC1 ZINC001161180612 780002056 /nfs/dbraw/zinc/00/20/56/780002056.db2.gz KUQKCGVSZSTCRL-GFCCVEGCSA-N 2 0 270.377 -1.280 20 0 CAADRP CN(C(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001161219097 780002139 /nfs/dbraw/zinc/00/21/39/780002139.db2.gz MWAPFLQPALYVFE-ZRUFSTJUSA-N 3 0 250.346 -1.528 20 0 CAADRP CN(C(=O)[C@H]1C[NH2+]CC12C[NH2+]C2)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001161219096 780002193 /nfs/dbraw/zinc/00/21/93/780002193.db2.gz MWAPFLQPALYVFE-YTWAJWBKSA-N 3 0 250.346 -1.528 20 0 CAADRP COC(=O)[C@@H]1CN(C)CCN1C(=O)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001161237262 780002967 /nfs/dbraw/zinc/00/29/67/780002967.db2.gz KFZANIVQYDOVIE-MNOVXSKESA-N 2 0 296.371 -1.889 20 0 CAADRP C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N1C[C@H](C)[NH2+][C@@H](C)C1 ZINC001161231717 780003055 /nfs/dbraw/zinc/00/30/55/780003055.db2.gz NNRBYUUORSAHSN-XKNYDFJKSA-N 2 0 272.349 -1.981 20 0 CAADRP [NH3+]C[C@]1(F)CCN(C(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3N2)C1 ZINC001161239134 780004378 /nfs/dbraw/zinc/00/43/78/780004378.db2.gz GWLKRBVTFTYSLW-UXCLJVHYSA-N 2 0 256.325 -1.164 20 0 CAADRP [NH3+]C[C@@]1(F)CCN(C(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)C1 ZINC001161245350 780005998 /nfs/dbraw/zinc/00/59/98/780005998.db2.gz CVNVCDYMSATIIW-AAEUAGOBSA-N 3 0 287.383 -1.364 20 0 CAADRP COC(=O)[C@H]1CN(C(=O)[C@@H]2C[C@@H]([NH3+])CN2)CCN1C(C)=O ZINC001161294957 780006735 /nfs/dbraw/zinc/00/67/35/780006735.db2.gz BZVQLKRKEBUVCM-OUAUKWLOSA-N 2 0 298.343 -2.092 20 0 CAADRP COC(=O)[C@@H]1CN(C(=O)[C@@H]2C[C@@H]([NH3+])CN2)CCN1C(C)=O ZINC001161294958 780006950 /nfs/dbraw/zinc/00/69/50/780006950.db2.gz BZVQLKRKEBUVCM-VWYCJHECSA-N 2 0 298.343 -2.092 20 0 CAADRP CC(C)N(C(=O)[C@H](C)NC(=O)[C@@H]([NH3+])CO)[C@H]1CC[NH2+]C1 ZINC001161353691 780008443 /nfs/dbraw/zinc/00/84/43/780008443.db2.gz WRPLRGAGVCQFHU-DCAQKATOSA-N 2 0 286.376 -1.590 20 0 CAADRP COC(=O)[C@]1(C)COCCN1C(=O)[C@H]([NH3+])CCC[NH3+] ZINC001161372479 780008633 /nfs/dbraw/zinc/00/86/33/780008633.db2.gz JOIFBCVUVGCAQU-SKDRFNHKSA-N 2 0 273.333 -1.157 20 0 CAADRP [NH3+]C[C@H](O)CC(=O)N1CC[C@H](N2CCC([NH3+])CC2)C1 ZINC001161381272 780009396 /nfs/dbraw/zinc/00/93/96/780009396.db2.gz WZVIPNYGLRJCFA-NWDGAFQWSA-N 2 0 270.377 -1.280 20 0 CAADRP [NH3+]CCSC[C@H]([NH3+])C(=O)N1CC[N@@H+]2CC[C@H]2C1 ZINC001161423501 780009614 /nfs/dbraw/zinc/00/96/14/780009614.db2.gz CCBRSHZSCCZBOJ-UWVGGRQHSA-N 3 0 258.391 -1.078 20 0 CAADRP [NH3+]CCC[NH2+]CC(=O)N1CC[C@@H](N2CCC([NH3+])CC2)C1 ZINC001161380368 780009831 /nfs/dbraw/zinc/00/98/31/780009831.db2.gz VEOHGNVZSUZIRJ-CYBMUJFWSA-N 3 0 283.420 -1.051 20 0 CAADRP [NH3+]C1CCN([C@@H]2CCN(C(=O)[C@H]3[NH2+]CC[C@H]3O)C2)CC1 ZINC001161377122 780010101 /nfs/dbraw/zinc/01/01/01/780010101.db2.gz FLIBJQURYZJYIF-UPJWGTAASA-N 2 0 282.388 -1.267 20 0 CAADRP N[C@@]1(C(=O)N2CC[C@H](N3CCC([NH3+])CC3)C2)CC[NH2+]C1 ZINC001161380855 780010126 /nfs/dbraw/zinc/01/01/26/780010126.db2.gz WECMPQYPNBLDRV-JSGCOSHPSA-N 2 0 281.404 -1.299 20 0 CAADRP O=C([C@@H]1C[NH2+]C[C@H]1O)N1CCO[C@@H](C[NH+]2CCCC2)C1 ZINC001161390107 780010516 /nfs/dbraw/zinc/01/05/16/780010516.db2.gz XCRNRNYJBQIWGG-YNEHKIRRSA-N 2 0 283.372 -1.110 20 0 CAADRP [NH3+]C1CCN([C@H]2CCN(C(=O)[C@H]3C[NH2+]CCN3)C2)CC1 ZINC001161378273 780010439 /nfs/dbraw/zinc/01/04/39/780010439.db2.gz LMSWUYHQBNCMAH-QWHCGFSZSA-N 2 0 281.404 -1.428 20 0 CAADRP N[C@@H](C[NH3+])C(=O)N1CCO[C@@H](C[NH+]2CCCC2)C1 ZINC001161382238 780010497 /nfs/dbraw/zinc/01/04/97/780010497.db2.gz VRFGFSVCIYNPHF-QWRGUYRKSA-N 2 0 256.350 -1.404 20 0 CAADRP [NH3+]C1CCN([C@H]2CCN(C(=O)[C@H]3[NH2+]CC[C@H]3O)C2)CC1 ZINC001161377124 780010558 /nfs/dbraw/zinc/01/05/58/780010558.db2.gz FLIBJQURYZJYIF-XQQFMLRXSA-N 2 0 282.388 -1.267 20 0 CAADRP O=C([C@@H]1C[NH2+]CCN1)N1CCO[C@H](C[NH+]2CCCC2)C1 ZINC001161390539 780010802 /nfs/dbraw/zinc/01/08/02/780010802.db2.gz ZVQJADFLVWAMRP-OLZOCXBDSA-N 2 0 282.388 -1.129 20 0 CAADRP [NH3+]CCC[NH2+]CC(=O)N1CC[C@H](N2CCC([NH3+])CC2)C1 ZINC001161380369 780010879 /nfs/dbraw/zinc/01/08/79/780010879.db2.gz VEOHGNVZSUZIRJ-ZDUSSCGKSA-N 3 0 283.420 -1.051 20 0 CAADRP O=C([C@@H]1C[NH2+]C[C@H]1O)N1CCO[C@H](C[NH+]2CCCC2)C1 ZINC001161390104 780010921 /nfs/dbraw/zinc/01/09/21/780010921.db2.gz XCRNRNYJBQIWGG-JHJVBQTASA-N 2 0 283.372 -1.110 20 0 CAADRP COC(=O)[C@@]1(C)COCCN1C(=O)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001161373369 780011010 /nfs/dbraw/zinc/01/10/10/780011010.db2.gz PPNBJBLEBFFVNV-ZWNOBZJWSA-N 2 0 297.355 -1.414 20 0 CAADRP NC(=O)NCCC[C@@H]([NH3+])C(=O)N1CC[N@@H+]2CC[C@H]2C1 ZINC001161420898 780011433 /nfs/dbraw/zinc/01/14/33/780011433.db2.gz LFSJKDPWPGWETF-VHSXEESVSA-N 2 0 269.349 -1.321 20 0 CAADRP O=C(N1CC[N@@H+]2CC[C@@H]2C1)[C@@]12C[NH2+]C[C@H]1CCN2 ZINC001161420328 780011524 /nfs/dbraw/zinc/01/15/24/780011524.db2.gz GUJLAQNRSVEGEX-NQBHXWOUSA-N 2 0 250.346 -1.146 20 0 CAADRP [NH3+][C@@H]1CC[C@@H]2CN(C(=O)[C@@H]3COC4(C[NH2+]C4)CN3)C[C@@H]12 ZINC001161414028 780011654 /nfs/dbraw/zinc/01/16/54/780011654.db2.gz SDLYJZUWZJZAQB-KKOKHZNYSA-N 2 0 280.372 -1.488 20 0 CAADRP C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC001161413322 780011997 /nfs/dbraw/zinc/01/19/97/780011997.db2.gz PFFFNVKFCXSECH-DAWVFNFOSA-N 2 0 284.360 -1.994 20 0 CAADRP NC(=O)NCCC[C@@H]([NH3+])C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC001161414709 780012447 /nfs/dbraw/zinc/01/24/47/780012447.db2.gz YUJYYAGYZQFKHD-LNFKQOIKSA-N 2 0 283.376 -1.042 20 0 CAADRP O=C([C@@H]1C[C@H]2C[NH2+]C[C@H]2N1)N1CC[N@@H+]2CC[C@H]2C1 ZINC001161420600 780012628 /nfs/dbraw/zinc/01/26/28/780012628.db2.gz ILSRGTVQWZUMFI-FIQHERPVSA-N 2 0 250.346 -1.147 20 0 CAADRP NC(=O)NCCC[C@@H]([NH3+])C(=O)N1CC[N@@H+]2CC[C@@H]2C1 ZINC001161420897 780012941 /nfs/dbraw/zinc/01/29/41/780012941.db2.gz LFSJKDPWPGWETF-NXEZZACHSA-N 2 0 269.349 -1.321 20 0 CAADRP [NH3+][C@@H]1CC[C@@H]2CN(C(=O)[C@@H]3C[NH2+]CC34C[NH2+]C4)C[C@H]12 ZINC001161411785 780013011 /nfs/dbraw/zinc/01/30/11/780013011.db2.gz AKJVRIULQJPDTR-NOOOWODRSA-N 3 0 264.373 -1.009 20 0 CAADRP C[NH+](C)CCN(C(=O)[C@@H]1C[NH2+]C[C@@H]1O)[C@@H]1CCC[NH2+]C1 ZINC001161444460 780013557 /nfs/dbraw/zinc/01/35/57/780013557.db2.gz IHMPLVDTZKELKM-UPJWGTAASA-N 3 0 284.404 -1.291 20 0 CAADRP C[NH+](C)CCN(C(=O)[C@@H]1C[C@H]([NH3+])CN1)[C@@H]1CCC[NH2+]C1 ZINC001161448516 780013718 /nfs/dbraw/zinc/01/37/18/780013718.db2.gz DMFVNBXFIIJJSB-XQQFMLRXSA-N 3 0 283.420 -1.182 20 0 CAADRP C[NH+](C)CCN(C(=O)C[C@@H](O)C[NH3+])[C@H]1CCC[NH2+]C1 ZINC001161442891 780013755 /nfs/dbraw/zinc/01/37/55/780013755.db2.gz IGHWDVZVQXTZQP-NWDGAFQWSA-N 3 0 272.393 -1.162 20 0 CAADRP C[NH+](C)CCN(C(=O)[C@]1(N)CC[NH2+]C1)[C@H]1CCC[NH2+]C1 ZINC001161444046 780013775 /nfs/dbraw/zinc/01/37/75/780013775.db2.gz AMZKZFAEQRHPJG-JSGCOSHPSA-N 3 0 283.420 -1.181 20 0 CAADRP C[NH+](C)CCN(C(=O)[C@@H]1C[C@@H]([NH3+])CN1)[C@H]1CCC[NH2+]C1 ZINC001161444177 780013920 /nfs/dbraw/zinc/01/39/20/780013920.db2.gz DMFVNBXFIIJJSB-AGIUHOORSA-N 3 0 283.420 -1.182 20 0 CAADRP [NH3+]CC(=O)N1CCC[C@H]1C(=O)N1CC[N@@H+]2CC[C@H]2C1 ZINC001161424111 780014159 /nfs/dbraw/zinc/01/41/59/780014159.db2.gz YZPXEFIPQIQLKU-QWRGUYRKSA-N 2 0 266.345 -1.147 20 0 CAADRP C[NH+](C)CCN(C(=O)[C@@H]1C[C@@H]([NH3+])CN1)[C@@H]1CCC[NH2+]C1 ZINC001161444178 780014385 /nfs/dbraw/zinc/01/43/85/780014385.db2.gz DMFVNBXFIIJJSB-UPJWGTAASA-N 3 0 283.420 -1.182 20 0 CAADRP C[NH+](C)CCN(C(=O)C[C@H](O)C[NH3+])[C@@H]1CCC[NH2+]C1 ZINC001161442889 780014418 /nfs/dbraw/zinc/01/44/18/780014418.db2.gz IGHWDVZVQXTZQP-NEPJUHHUSA-N 3 0 272.393 -1.162 20 0 CAADRP C[NH+](C)CCN(C(=O)[C@H]1[NH2+]CC[C@@H]1O)[C@@H]1CCC[NH2+]C1 ZINC001161448501 780014431 /nfs/dbraw/zinc/01/44/31/780014431.db2.gz DGOWOADUQPHRRL-AGIUHOORSA-N 3 0 284.404 -1.149 20 0 CAADRP C[NH+](C)CCN(C(=O)[C@H]1C[NH2+]C[C@@H]1N)[C@H]1CCC[NH2+]C1 ZINC001161450045 780014442 /nfs/dbraw/zinc/01/44/42/780014442.db2.gz YUSZGBAHFFTCPT-AVGNSLFASA-N 3 0 283.420 -1.325 20 0 CAADRP COC(=O)[C@]12CC[NH2+][C@@H]1CN(C(=O)[C@@H]1C[NH2+]C[C@@H]1O)CC2 ZINC001161478491 780015023 /nfs/dbraw/zinc/01/50/23/780015023.db2.gz IHIZHQLRBIXWPN-DEKYYXRVSA-N 2 0 297.355 -1.680 20 0 CAADRP COC(=O)[C@@]12CC[NH2+][C@@H]1CN(C(=O)[C@H]1[NH2+]CC[C@@H]1O)CC2 ZINC001161477357 780015196 /nfs/dbraw/zinc/01/51/96/780015196.db2.gz FGFNJVKVSSLMAR-BBGACYKPSA-N 2 0 297.355 -1.537 20 0 CAADRP COC(=O)[C@@]12CC[NH2+][C@H]1CN(C(=O)CNCC[NH3+])CC2 ZINC001161480296 780015199 /nfs/dbraw/zinc/01/51/99/780015199.db2.gz OTIUUAYNOHUDMT-GXFFZTMASA-N 2 0 284.360 -1.712 20 0 CAADRP COC(=O)[C@@]12CC[NH2+][C@H]1CN(C(=O)[C@H]1C[C@@H](O)C[NH2+]1)CC2 ZINC001161479146 780015242 /nfs/dbraw/zinc/01/52/42/780015242.db2.gz OJGUYZWKJZBBLM-NJBDSQKTSA-N 2 0 297.355 -1.537 20 0 CAADRP COC(=O)[C@@]12CC[NH2+][C@H]1CN(C(=O)[C@@H]1C[C@H]([NH3+])CN1)CC2 ZINC001161476452 780015280 /nfs/dbraw/zinc/01/52/80/780015280.db2.gz AXJFYPHJGCYICU-AYGWYOGXSA-N 2 0 296.371 -1.571 20 0 CAADRP COC(=O)[C@@]12CC[NH2+][C@@H]1CN(C(=O)[C@@H](N)CC[NH3+])CC2 ZINC001161477368 780015289 /nfs/dbraw/zinc/01/52/89/780015289.db2.gz HKBZZGLMZZHLKG-OPQQBVKSSA-N 2 0 284.360 -1.584 20 0 CAADRP COC(=O)[C@@]12CC[NH2+][C@H]1CN(C(=O)[C@H]1C[NH2+]CCN1)CC2 ZINC001161481058 780015296 /nfs/dbraw/zinc/01/52/96/780015296.db2.gz WEHHTRVAPYWZPV-UHIISALHSA-N 2 0 296.371 -1.699 20 0 CAADRP COC(=O)[C@]12CC[NH2+][C@@H]1CN(C(=O)C[NH2+]CCC[NH3+])CC2 ZINC001161476596 780015303 /nfs/dbraw/zinc/01/53/03/780015303.db2.gz BIVPLVOIMCEFJT-RISCZKNCSA-N 3 0 298.387 -1.322 20 0 CAADRP C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N1CCC[C@](C)(C[NH3+])C1 ZINC001161487996 780015332 /nfs/dbraw/zinc/01/53/32/780015332.db2.gz JBWHUJMHEUCAIT-OUJBWJOFSA-N 2 0 286.376 -1.602 20 0 CAADRP COC(=O)[C@]12CC[NH2+][C@H]1CN(C(=O)[C@H]1[NH2+]CC[C@H]1O)CC2 ZINC001161477361 780015377 /nfs/dbraw/zinc/01/53/77/780015377.db2.gz FGFNJVKVSSLMAR-ZHPDPMBESA-N 2 0 297.355 -1.537 20 0 CAADRP COC(=O)[C@]12CC[NH2+][C@@H]1CN(C(=O)[C@H]1C[NH2+]C[C@@H]1O)CC2 ZINC001161478492 780015404 /nfs/dbraw/zinc/01/54/04/780015404.db2.gz IHIZHQLRBIXWPN-DYNIEEOBSA-N 2 0 297.355 -1.680 20 0 CAADRP COC(=O)[C@]12CC[NH2+][C@@H]1CN(C(=O)[C@@H]1C[NH2+]CCN1)CC2 ZINC001161482372 780015505 /nfs/dbraw/zinc/01/55/05/780015505.db2.gz WEHHTRVAPYWZPV-WDMOLILDSA-N 2 0 296.371 -1.699 20 0 CAADRP COC(=O)[C@@]12CC[NH2+][C@@H]1CN(C(=O)[C@@H]1C[NH2+]CCN1)CC2 ZINC001161482370 780015518 /nfs/dbraw/zinc/01/55/18/780015518.db2.gz WEHHTRVAPYWZPV-MISXGVKJSA-N 2 0 296.371 -1.699 20 0 CAADRP COC(=O)[C@@]12CC[NH2+][C@H]1CN(C(=O)[C@@H](N)C[NH3+])CC2 ZINC001161478676 780015527 /nfs/dbraw/zinc/01/55/27/780015527.db2.gz NPPAJZGREOEMLK-HOTUBEGUSA-N 2 0 270.333 -1.974 20 0 CAADRP COC(=O)[C@]12CC[NH2+][C@@H]1CN(C(=O)[C@@H]1C[NH2+]C[C@H]1O)CC2 ZINC001161478490 780015584 /nfs/dbraw/zinc/01/55/84/780015584.db2.gz IHIZHQLRBIXWPN-BIAAXOCRSA-N 2 0 297.355 -1.680 20 0 CAADRP COC(=O)[C@@]12CC[NH2+][C@H]1CN(C(=O)[C@H]1C[NH2+]C[C@@H]1N)CC2 ZINC001161476428 780015645 /nfs/dbraw/zinc/01/56/45/780015645.db2.gz AQEIQNUWZZABFF-AYGWYOGXSA-N 2 0 296.371 -1.713 20 0 CAADRP [NH3+][C@@H]1CN(C(=O)C[C@H]2COCC[NH2+]2)CC12COC2 ZINC001161507873 780015681 /nfs/dbraw/zinc/01/56/81/780015681.db2.gz BUHRTOUOLYEKON-VHSXEESVSA-N 2 0 255.318 -1.449 20 0 CAADRP CO[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3CC[NH2+]C[C@H]3O2)C[C@@H]1[NH3+] ZINC001161491383 780015820 /nfs/dbraw/zinc/01/58/20/780015820.db2.gz DYCMCMFJUGSGDO-KKJSVHSVSA-N 2 0 269.345 -1.062 20 0 CAADRP COC(=O)[C@]12CC[NH2+][C@@H]1CN(C(=O)[C@H]1C[NH2+]CCN1)CC2 ZINC001161481055 780015918 /nfs/dbraw/zinc/01/59/18/780015918.db2.gz WEHHTRVAPYWZPV-GYSYKLTISA-N 2 0 296.371 -1.699 20 0 CAADRP COC(=O)[C@]12CC[NH2+][C@H]1CN(C(=O)[C@@H](N)CC[NH3+])CC2 ZINC001161477076 780016066 /nfs/dbraw/zinc/01/60/66/780016066.db2.gz HKBZZGLMZZHLKG-KWBADKCTSA-N 2 0 284.360 -1.584 20 0 CAADRP CO[C@@H]1CN(C(=O)[C@@]23C[NH2+]C[C@H]2CCN3)C[C@@H]1[NH3+] ZINC001161492307 780016522 /nfs/dbraw/zinc/01/65/22/780016522.db2.gz NGVIXIDDPHCZRA-DTHBNOIPSA-N 2 0 254.334 -1.878 20 0 CAADRP C[N@H+](C1CN(C(=O)[C@@H]2C[C@H](O)C[NH2+]2)C1)[C@H]1CCOC1 ZINC001161497744 780016568 /nfs/dbraw/zinc/01/65/68/780016568.db2.gz CNWQKQUEMAYLAV-DLOVCJGASA-N 2 0 269.345 -1.359 20 0 CAADRP [NH3+][C@H](C(=O)N1C[C@@H]2COC[C@H](C1)C2=O)C1CC[NH2+]CC1 ZINC001161491644 780016647 /nfs/dbraw/zinc/01/66/47/780016647.db2.gz GYORJQKQYYTHNJ-TUAOUCFPSA-N 2 0 281.356 -1.013 20 0 CAADRP CO[C@@H]1CN(C(=O)[C@@H]([NH3+])CSCC[NH3+])C[C@@H]1[NH3+] ZINC001161493079 780016999 /nfs/dbraw/zinc/01/69/99/780016999.db2.gz BQFRNNJUKQPDTE-XHNCKOQMSA-N 3 0 262.379 -1.810 20 0 CAADRP CO[C@@H]1CN(C(=O)[C@H]([NH3+])CCCNC(N)=O)C[C@@H]1[NH3+] ZINC001161491997 780017159 /nfs/dbraw/zinc/01/71/59/780017159.db2.gz LNMPCHRUPZGIEC-HRDYMLBCSA-N 2 0 273.337 -2.053 20 0 CAADRP CO[C@@H]1CN(C(=O)[C@@]23C[NH2+]C[C@@H]2CCN3)C[C@@H]1[NH3+] ZINC001161492310 780017546 /nfs/dbraw/zinc/01/75/46/780017546.db2.gz NGVIXIDDPHCZRA-UXCLJVHYSA-N 2 0 254.334 -1.878 20 0 CAADRP [NH3+]CCSC[C@H]([NH3+])C(=O)N1C[C@@H]2COC[C@H](C1)C2=O ZINC001161492889 780017587 /nfs/dbraw/zinc/01/75/87/780017587.db2.gz YRVYVDQRKDEZDX-AEJSXWLSSA-N 2 0 287.385 -1.321 20 0 CAADRP C[N@H+](C1CN(C(=O)[C@]2(N)CCC[NH2+]C2)C1)[C@H]1CCOC1 ZINC001161497830 780017665 /nfs/dbraw/zinc/01/76/65/780017665.db2.gz GERXNEVNPOZGGN-FZMZJTMJSA-N 2 0 282.388 -1.001 20 0 CAADRP [NH3+][C@@H]1CN(C(=O)[C@]23C[NH2+]C[C@H]2COC3)CC12COC2 ZINC001161509178 780018355 /nfs/dbraw/zinc/01/83/55/780018355.db2.gz IKPPVPLKXSVLPB-CWSCBRNRSA-N 2 0 267.329 -1.592 20 0 CAADRP [NH3+][C@@H]1CN(C(=O)[C@@H]2COC3(C[NH2+]C3)CN2)CC12COC2 ZINC001161509327 780018793 /nfs/dbraw/zinc/01/87/93/780018793.db2.gz IZIYTKVLGVVVRO-VHSXEESVSA-N 2 0 282.344 -2.497 20 0 CAADRP [NH3+][C@@H]1CN(C(=O)C[C@@H]2COCC[NH2+]2)CC12COC2 ZINC001161507869 780018814 /nfs/dbraw/zinc/01/88/14/780018814.db2.gz BUHRTOUOLYEKON-NXEZZACHSA-N 2 0 255.318 -1.449 20 0 CAADRP [NH3+][C@H]1CN(C(=O)[C@]23C[NH2+]C[C@H]2COC3)CC12COC2 ZINC001161509180 780018994 /nfs/dbraw/zinc/01/89/94/780018994.db2.gz IKPPVPLKXSVLPB-KWBADKCTSA-N 2 0 267.329 -1.592 20 0 CAADRP [NH3+][C@@H](Cc1cnc[nH]1)C(=O)N1C[C@H]([NH3+])C2(COC2)C1 ZINC001161499789 780019235 /nfs/dbraw/zinc/01/92/35/780019235.db2.gz IIHGDHSTJNASPE-UWVGGRQHSA-N 2 0 265.317 -1.534 20 0 CAADRP [NH3+]CCSC[C@H]([NH3+])C(=O)N1C[C@H]([NH3+])C2(COC2)C1 ZINC001161509117 780019295 /nfs/dbraw/zinc/01/92/95/780019295.db2.gz IETNDZUMLRFQNT-IUCAKERBSA-N 3 0 274.390 -1.808 20 0 CAADRP [NH3+][C@@H]1CN(C(=O)[C@H]2COC3(C[NH2+]C3)CN2)CC12COC2 ZINC001161509323 780019317 /nfs/dbraw/zinc/01/93/17/780019317.db2.gz IZIYTKVLGVVVRO-NXEZZACHSA-N 2 0 282.344 -2.497 20 0 CAADRP [NH3+][C@@H]1CN(C(=O)[C@@H]2C[C@@H]3CC[NH2+]C[C@H]3O2)CC12COC2 ZINC001161509482 780019428 /nfs/dbraw/zinc/01/94/28/780019428.db2.gz KHCAWEBUYQNABG-NNYUYHANSA-N 2 0 281.356 -1.061 20 0 CAADRP CC(=O)N[C@@H](CCCC[NH3+])C(=O)N1C[C@@H]([NH3+])C2(COC2)C1 ZINC001161510405 780019439 /nfs/dbraw/zinc/01/94/39/780019439.db2.gz OOJWIFYMNMBTLJ-NWDGAFQWSA-N 2 0 298.387 -1.194 20 0 CAADRP [NH3+]CCSC[C@H]([NH3+])C(=O)N1C[C@@H]([NH3+])C2(COC2)C1 ZINC001161509114 780019535 /nfs/dbraw/zinc/01/95/35/780019535.db2.gz IETNDZUMLRFQNT-DTWKUNHWSA-N 3 0 274.390 -1.808 20 0 CAADRP [NH3+][C@@H](Cc1cnc[nH]1)C(=O)N1C[C@@H]([NH3+])C2(COC2)C1 ZINC001161499790 780019592 /nfs/dbraw/zinc/01/95/92/780019592.db2.gz IIHGDHSTJNASPE-VHSXEESVSA-N 2 0 265.317 -1.534 20 0 CAADRP NC1(C(=O)N2C[C@@H]([NH3+])C3(COC3)C2)CC[NH2+]CC1 ZINC001161507766 780019759 /nfs/dbraw/zinc/01/97/59/780019759.db2.gz AHDKCSXDGBBNQK-SECBINFHSA-N 2 0 254.334 -1.747 20 0 CAADRP NC(=O)NCCC[C@@H]([NH3+])C(=O)N1C[C@H]([NH3+])C2(COC2)C1 ZINC001161509863 780019783 /nfs/dbraw/zinc/01/97/83/780019783.db2.gz LSURARNCCOXARQ-BDAKNGLRSA-N 2 0 285.348 -2.052 20 0 CAADRP [NH3+][C@H]1CN(C(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)CC12COC2 ZINC001161509206 780019841 /nfs/dbraw/zinc/01/98/41/780019841.db2.gz IQUULBWDJRXFPI-ZJUUUORDSA-N 3 0 266.345 -2.019 20 0 CAADRP [NH3+][C@H]1CN(C(=O)CNC2CC[NH2+]CC2)CC12COC2 ZINC001161509362 780020162 /nfs/dbraw/zinc/02/01/62/780020162.db2.gz JGTYVDKCQYEVAO-NSHDSACASA-N 2 0 268.361 -1.486 20 0 CAADRP O=C([C@@H]1C[NH2+]CC12C[NH2+]C2)N1CC[NH2+]C2(CC2)C1 ZINC001161545079 780020493 /nfs/dbraw/zinc/02/04/93/780020493.db2.gz LKBLWYMOXDBNDZ-JTQLQIEISA-N 3 0 250.346 -1.240 20 0 CAADRP C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N1CC2(C1)C[NH+](C)C2 ZINC001161532070 780020535 /nfs/dbraw/zinc/02/05/35/780020535.db2.gz MIFQZCZUTRIBHD-IUCAKERBSA-N 2 0 270.333 -2.415 20 0 CAADRP C[NH+]1CC2(CN(C(=O)[C@@H]3C[C@H]4C[NH2+]C[C@H]4N3)C2)C1 ZINC001161532442 780020603 /nfs/dbraw/zinc/02/06/03/780020603.db2.gz TYFXMNBCIWZKBS-GARJFASQSA-N 2 0 250.346 -1.290 20 0 CAADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)[C@@H]1CCCN1C(=O)C[NH3+] ZINC001161530281 780020655 /nfs/dbraw/zinc/02/06/55/780020655.db2.gz UNGYOFKMAVYGKA-UTLUCORTSA-N 2 0 254.334 -1.116 20 0 CAADRP CC(=O)OC[C@H]([NH3+])C(=O)N1C[C@H]([NH3+])C2(COC2)C1 ZINC001161511146 780020891 /nfs/dbraw/zinc/02/08/91/780020891.db2.gz XFDYRWXUHQHRMJ-IUCAKERBSA-N 2 0 257.290 -1.937 20 0 CAADRP CCOC(=O)C1(C(=O)N2C[C@H]([NH3+])C3(COC3)C2)C[NH2+]C1 ZINC001161511102 780020983 /nfs/dbraw/zinc/02/09/83/780020983.db2.gz WMKQQSZWRPFVBT-VIFPVBQESA-N 2 0 283.328 -1.675 20 0 CAADRP N[C@]1(C(=O)N2C[C@H]([NH3+])C3(COC3)C2)CCC[NH2+]C1 ZINC001161511400 780021008 /nfs/dbraw/zinc/02/10/08/780021008.db2.gz ZCKBZZQAHZECOW-JOYOIKCWSA-N 2 0 254.334 -1.747 20 0 CAADRP N[C@@]1(C(=O)N2C[C@@H]([NH3+])C3(COC3)C2)CCC[NH2+]C1 ZINC001161511401 780021353 /nfs/dbraw/zinc/02/13/53/780021353.db2.gz ZCKBZZQAHZECOW-SKDRFNHKSA-N 2 0 254.334 -1.747 20 0 CAADRP O=C(C1=NO[C@@H]2C[NH2+]C[C@H]12)N1CC[NH2+]C2(CC2)C1 ZINC001161544734 780021569 /nfs/dbraw/zinc/02/15/69/780021569.db2.gz GOPTUPWAKWSMQY-DTWKUNHWSA-N 2 0 250.302 -1.075 20 0 CAADRP NC(=O)CC[C@H]([NH3+])CC(=O)N1CC[NH2+]C2(CC2)C1 ZINC001161548663 780021825 /nfs/dbraw/zinc/02/18/25/780021825.db2.gz VJLZCSGXSZZXGC-VIFPVBQESA-N 2 0 254.334 -1.066 20 0 CAADRP [NH3+]CCNC(=O)/C=C/C(=O)N1CC[NH2+]C2(CC2)C1 ZINC001161545093 780021869 /nfs/dbraw/zinc/02/18/69/780021869.db2.gz LZPMCFFRANLTBM-OWOJBTEDSA-N 2 0 252.318 -1.418 20 0 CAADRP C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N1C[C@@H]([NH3+])C2(COC2)C1 ZINC001161511002 780022038 /nfs/dbraw/zinc/02/20/38/780022038.db2.gz USPSUGLTXWQTJU-XHNCKOQMSA-N 2 0 286.332 -3.003 20 0 CAADRP COCCOC1CN(C(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)C1 ZINC001161570988 780022433 /nfs/dbraw/zinc/02/24/33/780022433.db2.gz OFPQSUFONCBBRC-NSHDSACASA-N 2 0 269.345 -1.331 20 0 CAADRP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)N1CC[NH2+]C2(CC2)C1 ZINC001161550874 780022924 /nfs/dbraw/zinc/02/29/24/780022924.db2.gz SAALMYHCJUJTMA-JTQLQIEISA-N 2 0 266.345 -1.181 20 0 CAADRP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N1CC[NH2+]C2(CC2)C1 ZINC001161550477 780023095 /nfs/dbraw/zinc/02/30/95/780023095.db2.gz JRTBJTMEYBPDFG-IUCAKERBSA-N 2 0 297.359 -2.342 20 0 CAADRP [NH3+]CCSC[C@H]([NH3+])C(=O)N1CC[NH2+]C2(CC2)C1 ZINC001161550041 780023149 /nfs/dbraw/zinc/02/31/49/780023149.db2.gz AIXKMHDWMWUILS-VIFPVBQESA-N 3 0 258.391 -1.030 20 0 CAADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)[C@H]1C[NH2+]CCO1 ZINC000250358525 780028779 /nfs/dbraw/zinc/02/87/79/780028779.db2.gz AZSAAYLHCSZFET-WDEREUQCSA-N 2 0 256.350 -1.663 20 0 CAADRP [NH3+]CCN(CCO)c1nccc(N2CC[NH2+]CC2)n1 ZINC001163827862 780062249 /nfs/dbraw/zinc/06/22/49/780062249.db2.gz PCTKQDGOUGEEDM-UHFFFAOYSA-N 2 0 266.349 -1.356 20 0 CAADRP Nc1nc(N2CC([NH2+][C@@H]3CCOC3)C2)nc(N)[nH+]1 ZINC001164234473 780070688 /nfs/dbraw/zinc/07/06/88/780070688.db2.gz PBXUPFHLVVWMKC-ZCFIWIBFSA-N 2 0 251.294 -1.397 20 0 CAADRP O=C1NCCN(c2ncnc3c2CC[NH2+]CC3)C12C[NH2+]C2 ZINC001165298443 780077805 /nfs/dbraw/zinc/07/78/05/780077805.db2.gz VVEBDOUPULJTKS-UHFFFAOYSA-N 2 0 288.355 -1.557 20 0 CAADRP O=C1NCCN(c2cc(C3C[NH2+]C3)ncn2)C12C[NH2+]C2 ZINC001165301146 780079484 /nfs/dbraw/zinc/07/94/84/780079484.db2.gz RFNWFZBANHDKOQ-UHFFFAOYSA-N 2 0 274.328 -1.558 20 0 CAADRP Cc1cnc(N2CCNC(=O)C23C[NH2+]C3)nc1C1C[NH2+]C1 ZINC001165300699 780079906 /nfs/dbraw/zinc/07/99/06/780079906.db2.gz IZDUVJJFBGHYEB-UHFFFAOYSA-N 2 0 288.355 -1.250 20 0 CAADRP C[NH+](C)CCC(=O)NCCC[NH2+]CCNS(C)(=O)=O ZINC001165781704 780088295 /nfs/dbraw/zinc/08/82/95/780088295.db2.gz XQICLTZDGRNEPA-UHFFFAOYSA-N 2 0 294.421 -1.417 20 0 CAADRP C[NH+](C)CCC(=O)NCCC[NH2+][C@@H]1CCC(=O)NC1=O ZINC001165794277 780088776 /nfs/dbraw/zinc/08/87/76/780088776.db2.gz PWGUIZWDSXSPKR-SNVBAGLBSA-N 2 0 284.360 -1.161 20 0 CAADRP C[NH+](C)CCC(=O)NCCC[NH2+]CCN1C(=O)CNC1=O ZINC001165781328 780089062 /nfs/dbraw/zinc/08/90/62/780089062.db2.gz PQLDWTMVHJVPCY-UHFFFAOYSA-N 2 0 299.375 -1.414 20 0 CAADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCCC[NH2+]CC(=O)NC(N)=O ZINC001166694936 780092535 /nfs/dbraw/zinc/09/25/35/780092535.db2.gz YUWHJLOHORJRAB-VHSXEESVSA-N 2 0 299.375 -1.525 20 0 CAADRP CS(=O)(=O)N(c1cc(C2C[NH2+]C2)ncn1)C1C[NH2+]C1 ZINC001166972582 780099410 /nfs/dbraw/zinc/09/94/10/780099410.db2.gz WFQFVYXAPBEJQU-UHFFFAOYSA-N 2 0 283.357 -1.099 20 0 CAADRP Cn1cc(C[N@@H+]2CCC[C@@](O)(C[NH3+])CC2)c(=O)n(C)c1=O ZINC001205242570 780105078 /nfs/dbraw/zinc/10/50/78/780105078.db2.gz YEDBBIJEXUFJMC-AWEZNQCLSA-N 2 0 296.371 -1.240 20 0 CAADRP [NH3+]C[C@H]1CN(Cc2cnc3n2CC[NH2+]CC3)C[C@H]1O ZINC001206463923 780110737 /nfs/dbraw/zinc/11/07/37/780110737.db2.gz GYOBGSJUDGUHBF-CMPLNLGQSA-N 2 0 265.361 -1.220 20 0 CAADRP CS(=O)(=O)N1CCC(C[N@@H+]2C[C@H](O)[C@@H](C[NH3+])C2)CC1 ZINC001206506875 780110808 /nfs/dbraw/zinc/11/08/08/780110808.db2.gz UVPWXOAJELCADQ-RYUDHWBXSA-N 2 0 291.417 -1.091 20 0 CAADRP CO[C@@H]1C[N@H+](CCO)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001213730800 780146844 /nfs/dbraw/zinc/14/68/44/780146844.db2.gz YNUGNOCMATVOIY-VXGBXAGGSA-N 2 0 289.376 -1.628 20 0 CAADRP O=S(=O)(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)C1C[NH2+]C1 ZINC000405138039 780159159 /nfs/dbraw/zinc/15/91/59/780159159.db2.gz KKWVDSSUCUWOME-NXEZZACHSA-N 2 0 275.374 -1.259 20 0 CAADRP O=S(=O)(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)C1C[NH2+]C1 ZINC000405138042 780159982 /nfs/dbraw/zinc/15/99/82/780159982.db2.gz KKWVDSSUCUWOME-ZJUUUORDSA-N 2 0 275.374 -1.259 20 0 CAADRP Cn1nnnc1NC(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001218496227 780165721 /nfs/dbraw/zinc/16/57/21/780165721.db2.gz JMMXNOSMYMFIBR-MRVPVSSYSA-N 2 0 268.325 -2.101 20 0 CAADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)Nc1nnco1 ZINC001218502361 780166060 /nfs/dbraw/zinc/16/60/60/780166060.db2.gz UBHNLDDEYDYYBN-MRVPVSSYSA-N 2 0 254.294 -1.242 20 0 CAADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)Nc1nnco1 ZINC001218502362 780166178 /nfs/dbraw/zinc/16/61/78/780166178.db2.gz UBHNLDDEYDYYBN-QMMMGPOBSA-N 2 0 254.294 -1.242 20 0 CAADRP O=C(Nc1ncnc2n[nH]nc21)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001218515952 780167582 /nfs/dbraw/zinc/16/75/82/780167582.db2.gz OXBUYTDPQRWGSU-LURJTMIESA-N 2 0 274.288 -1.505 20 0 CAADRP O=C(N=c1ncnc2[nH][nH]cc1-2)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001218516762 780167610 /nfs/dbraw/zinc/16/76/10/780167610.db2.gz DJETYJFCVVUWMJ-QMMMGPOBSA-N 2 0 273.300 -1.526 20 0 CAADRP NC(=O)c1n[nH]cc1NC(=O)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001218563511 780170926 /nfs/dbraw/zinc/17/09/26/780170926.db2.gz CADIMUCBBSOWRQ-ZCFIWIBFSA-N 2 0 264.289 -1.744 20 0 CAADRP NC(=O)c1n[nH]cc1NC(=O)[C@@H]([NH3+])CSCC[NH3+] ZINC001218565606 780172374 /nfs/dbraw/zinc/17/23/74/780172374.db2.gz WKYNKQWRGWFDRO-YFKPBYRVSA-N 2 0 272.334 -1.534 20 0 CAADRP Nc1c(=O)c(=O)c1NC(=O)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001218589265 780173391 /nfs/dbraw/zinc/17/33/91/780173391.db2.gz UXIFREBKBIXBLN-SSDOTTSWSA-N 2 0 278.312 -1.323 20 0 CAADRP Nc1c(=O)c(=O)c1NC(=O)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001218589080 780173571 /nfs/dbraw/zinc/17/35/71/780173571.db2.gz RIYAZCVQAMGOHS-RXMQYKEDSA-N 2 0 250.258 -2.388 20 0 CAADRP CN(C(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1)c1nccnc1N ZINC001218623430 780176525 /nfs/dbraw/zinc/17/65/25/780176525.db2.gz MKRGFLPFEQSOLL-SNVBAGLBSA-N 2 0 293.375 -1.228 20 0 CAADRP CN(C(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2)c1nccnc1N ZINC001218623428 780177033 /nfs/dbraw/zinc/17/70/33/780177033.db2.gz MKFOJTJAPXLSNH-QMMMGPOBSA-N 2 0 262.317 -1.169 20 0 CAADRP O=C(Nc1cnn(C2C[NH2+]C2)c1)[C@]12C[NH2+]C[C@H]1CCN2 ZINC001218640956 780178190 /nfs/dbraw/zinc/17/81/90/780178190.db2.gz OJDIVMTUEQGJNO-RNCFNFMXSA-N 2 0 276.344 -1.083 20 0 CAADRP O=C(Nc1cnn(C2C[NH2+]C2)c1)[C@@H]1C[NH2+]CCN1 ZINC001218639778 780178278 /nfs/dbraw/zinc/17/82/78/780178278.db2.gz BXUQPRIBNYXGFS-JTQLQIEISA-N 2 0 250.306 -1.473 20 0 CAADRP N[C@H]1C[NH2+]C[C@@H]1C(=O)Nc1cnn(C2C[NH2+]C2)c1 ZINC001218640135 780178330 /nfs/dbraw/zinc/17/83/30/780178330.db2.gz FRCFGXHILCDHQT-UWVGGRQHSA-N 2 0 250.306 -1.487 20 0 CAADRP O=C(Nc1cnn(C2C[NH2+]C2)c1)[C@H]1C[NH2+]C[C@H]1O ZINC001218640264 780178362 /nfs/dbraw/zinc/17/83/62/780178362.db2.gz GVNDVWSWKKTTIS-VHSXEESVSA-N 2 0 251.290 -1.454 20 0 CAADRP N[C@]1(C(=O)Nc2cnn(C3C[NH2+]C3)c2)CC[NH2+]C1 ZINC001218640615 780178713 /nfs/dbraw/zinc/17/87/13/780178713.db2.gz LHTSEOQIBIXXSI-LLVKDONJSA-N 2 0 250.306 -1.343 20 0 CAADRP O=C(Nc1cnn(C2C[NH2+]C2)c1)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001218641403 780178829 /nfs/dbraw/zinc/17/88/29/780178829.db2.gz RDANPRAOKMVNDW-LLVKDONJSA-N 3 0 276.344 -1.225 20 0 CAADRP Cn1ncc(NC(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)n1 ZINC001218629377 780178941 /nfs/dbraw/zinc/17/89/41/780178941.db2.gz TWEIMFZWONTMTN-LDYMZIIASA-N 2 0 250.306 -1.047 20 0 CAADRP Nc1cn(C(=O)[C@@H]2COC3(C[NH2+]C3)CN2)ccc1=[NH2+] ZINC001218692946 780181025 /nfs/dbraw/zinc/18/10/25/780181025.db2.gz ZRILZXLSKYPAPD-JTQLQIEISA-N 2 0 263.301 -1.480 20 0 CAADRP NC(=O)c1cnoc1NC(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001218701669 780181173 /nfs/dbraw/zinc/18/11/73/780181173.db2.gz CLROPWANFDYOBX-ZETCQYMHSA-N 2 0 265.273 -1.479 20 0 CAADRP Nc1cn(C(=O)[C@@H](N)CN2CCC([NH3+])CC2)ccc1=[NH2+] ZINC001218693478 780181412 /nfs/dbraw/zinc/18/14/12/780181412.db2.gz MCJVBYUPMBYKCL-LBPRGKRZSA-N 2 0 278.360 -1.060 20 0 CAADRP Cn1nncc1NC(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001218699802 780181564 /nfs/dbraw/zinc/18/15/64/780181564.db2.gz GROLJFYXTRTOME-LDYMZIIASA-N 2 0 250.306 -1.047 20 0 CAADRP NC(=O)c1cnoc1NC(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001218702739 780182702 /nfs/dbraw/zinc/18/27/02/780182702.db2.gz WAENJCSNGZWSEI-JMCQJSRRSA-N 2 0 279.300 -1.089 20 0 CAADRP CCN=c1ncc(N)cn1C(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001218739787 780183049 /nfs/dbraw/zinc/18/30/49/780183049.db2.gz IRYVZGTXKGNVFH-JTQLQIEISA-N 2 0 276.344 -1.165 20 0 CAADRP [NH3+]Cc1cncc(NC(=O)[C@@H]2COC3(C[NH2+]C3)CN2)c1 ZINC001218703959 780183130 /nfs/dbraw/zinc/18/31/30/780183130.db2.gz KCIVIKZEQAPRMB-NSHDSACASA-N 2 0 277.328 -1.191 20 0 CAADRP COCCCNC(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001219557457 780229861 /nfs/dbraw/zinc/22/98/61/780229861.db2.gz AMZVGBHYXNYQIZ-LLVKDONJSA-N 2 0 258.366 -1.111 20 0 CAADRP CC[NH+](CC)CCNC(=O)[C@@H]1COC2(C[NH2+]C2)CN1 ZINC001219555512 780230233 /nfs/dbraw/zinc/23/02/33/780230233.db2.gz CVEQYJDSKYIOAH-NSHDSACASA-N 2 0 270.377 -1.225 20 0 CAADRP C[C@@H](O)[C@@H](CO)NC(=O)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001219558776 780230250 /nfs/dbraw/zinc/23/02/50/780230250.db2.gz VMTYXFDBGSHSNG-OUAUKWLOSA-N 2 0 271.361 -1.282 20 0 CAADRP C[C@@H](O)[C@@H](CO)NC(=O)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001219558775 780230352 /nfs/dbraw/zinc/23/03/52/780230352.db2.gz VMTYXFDBGSHSNG-GMTAPVOTSA-N 2 0 271.361 -1.282 20 0 CAADRP CC(C)[NH2+]CCCC[C@H]([NH3+])C(=O)NC[C@@H](O)CO ZINC001219866042 780271959 /nfs/dbraw/zinc/27/19/59/780271959.db2.gz ZFVGDGQLLTUQIY-MNOVXSKESA-N 2 0 261.366 -1.049 20 0 CAADRP [NH3+]CCSC[C@H]([NH3+])C(=O)NCCn1ccnn1 ZINC001219565825 780231532 /nfs/dbraw/zinc/23/15/32/780231532.db2.gz OTQQDEQWXJDPOD-QMMMGPOBSA-N 2 0 258.351 -1.587 20 0 CAADRP O=C(NCCn1ccnn1)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001219565383 780231608 /nfs/dbraw/zinc/23/16/08/780231608.db2.gz FGEJMOINUWZBEO-SECBINFHSA-N 2 0 250.306 -1.797 20 0 CAADRP O=C(NCCN1CCCCC1=O)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001219567422 780232143 /nfs/dbraw/zinc/23/21/43/780232143.db2.gz JWLWMXIRXVSOEY-LLVKDONJSA-N 2 0 280.372 -1.076 20 0 CAADRP O=C(NCCN1CCCCC1=O)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001219567423 780232311 /nfs/dbraw/zinc/23/23/11/780232311.db2.gz JWLWMXIRXVSOEY-NSHDSACASA-N 2 0 280.372 -1.076 20 0 CAADRP C[C@@H](C[NH+](C)C)NC(=O)[C@H]([NH3+])CCCNC(N)=O ZINC001219915961 780277020 /nfs/dbraw/zinc/27/70/20/780277020.db2.gz GASNNBMYARQNOG-DTWKUNHWSA-N 2 0 259.354 -1.172 20 0 CAADRP C[C@H]1CC[C@H](NC(=O)/C=C/C(=O)NCC[NH3+])C[NH2+]1 ZINC001219583349 780234060 /nfs/dbraw/zinc/23/40/60/780234060.db2.gz UYLCKTUCDLCKPU-AWAZDUCLSA-N 2 0 254.334 -1.126 20 0 CAADRP C[C@H]1CC[C@H](NC(=O)[C@@H]2COC3(C[NH2+]C3)CN2)C[NH2+]1 ZINC001219583498 780234317 /nfs/dbraw/zinc/23/43/17/780234317.db2.gz YUHNHVIHQBFJLC-DCAQKATOSA-N 2 0 268.361 -1.427 20 0 CAADRP C[C@H]1CC[C@H](NC(=O)[C@H]2NC(=O)CC23C[NH2+]C3)C[NH2+]1 ZINC001219582843 780234355 /nfs/dbraw/zinc/23/43/55/780234355.db2.gz LKCIOMZGGUCQCM-ATZCPNFKSA-N 2 0 266.345 -1.279 20 0 CAADRP C[C@H]1CC[C@H](NC(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)C[NH2+]1 ZINC001219589476 780234806 /nfs/dbraw/zinc/23/48/06/780234806.db2.gz RCXDTOWEHWCIHW-DRZSPHRISA-N 3 0 283.420 -1.007 20 0 CAADRP C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC001219589609 780234868 /nfs/dbraw/zinc/23/48/68/780234868.db2.gz ZNWPTRCZUIDXQH-XKNYDFJKSA-N 2 0 272.349 -1.933 20 0 CAADRP CS(=O)(=O)N(CC[NH3+])C(=O)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001219594024 780234892 /nfs/dbraw/zinc/23/48/92/780234892.db2.gz WXAIZMMHDIWYIH-MRVPVSSYSA-N 3 0 276.362 -2.458 20 0 CAADRP CS(=O)(=O)N(CC[NH3+])C(=O)[C@]12C[NH2+]C[C@H]1CCN2 ZINC001219593921 780234906 /nfs/dbraw/zinc/23/49/06/780234906.db2.gz PVODTRIHEHLGTC-SCZZXKLOSA-N 2 0 276.362 -2.315 20 0 CAADRP CS(=O)(=O)N(CC[NH3+])C(=O)C1(N)CC[NH2+]CC1 ZINC001219595540 780235160 /nfs/dbraw/zinc/23/51/60/780235160.db2.gz DZJQEWRJMPXKGB-UHFFFAOYSA-N 2 0 264.351 -2.186 20 0 CAADRP C[NH+](C)CCCC[C@H](N)C(=O)N(CC[NH3+])S(C)(=O)=O ZINC001219595465 780235435 /nfs/dbraw/zinc/23/54/35/780235435.db2.gz BDIAYVGGELXMRJ-JTQLQIEISA-N 2 0 294.421 -1.208 20 0 CAADRP CS(=O)(=O)N(CC[NH3+])C(=O)[C@@]12C[NH2+]C[C@@H]1CCN2 ZINC001219593922 780235505 /nfs/dbraw/zinc/23/55/05/780235505.db2.gz PVODTRIHEHLGTC-WCBMZHEXSA-N 2 0 276.362 -2.315 20 0 CAADRP CS(=O)(=O)N(CC[NH3+])C(=O)[C@H]1C[C@@H](O)C[NH2+]1 ZINC001219595715 780236388 /nfs/dbraw/zinc/23/63/88/780236388.db2.gz LSQOSLYLXDTXAO-RNFRBKRXSA-N 2 0 251.308 -2.544 20 0 CAADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)NCc1c[nH]cn1 ZINC001219606382 780236734 /nfs/dbraw/zinc/23/67/34/780236734.db2.gz KLWVJXZCXQQJHP-NSHDSACASA-N 2 0 266.349 -1.224 20 0 CAADRP CS(=O)(=O)N(CC[NH3+])C(=O)[C@]1(N)CCC[NH2+]C1 ZINC001219595772 780236881 /nfs/dbraw/zinc/23/68/81/780236881.db2.gz OWCNAOYUEAWQER-VIFPVBQESA-N 2 0 264.351 -2.186 20 0 CAADRP CS(=O)(=O)N(CC[NH3+])C(=O)C[C@@H]1COCC[NH2+]1 ZINC001219595924 780237081 /nfs/dbraw/zinc/23/70/81/780237081.db2.gz WJYOOQBYBVTFKT-MRVPVSSYSA-N 2 0 265.335 -1.888 20 0 CAADRP CS(=O)(=O)CCNC(=O)[C@@H]([NH3+])C1CC[NH2+]CC1 ZINC001219607927 780237776 /nfs/dbraw/zinc/23/77/76/780237776.db2.gz HERLPMXAQUSLQO-VIFPVBQESA-N 2 0 263.363 -1.526 20 0 CAADRP N[C@H]1C[NH2+]C[C@@H]1C(=O)N[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC001219614066 780238211 /nfs/dbraw/zinc/23/82/11/780238211.db2.gz RANWQGQGYQZWGK-ACLDMZEESA-N 2 0 266.267 -1.056 20 0 CAADRP N[C@H]1C[NH2+]C[C@@H]1C(=O)N[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC001219614067 780238239 /nfs/dbraw/zinc/23/82/39/780238239.db2.gz RANWQGQGYQZWGK-ZKWXMUAHSA-N 2 0 266.267 -1.056 20 0 CAADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)NCCS(C)(=O)=O ZINC001219607831 780238347 /nfs/dbraw/zinc/23/83/47/780238347.db2.gz CRLBCWPWAOMSLK-VIFPVBQESA-N 2 0 265.379 -1.136 20 0 CAADRP CS(=O)(=O)CCNC(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001219608214 780238364 /nfs/dbraw/zinc/23/83/64/780238364.db2.gz SGQNWIXRRUGVQW-QMMMGPOBSA-N 2 0 261.347 -2.044 20 0 CAADRP CS(=O)(=O)CCNC(=O)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001219608212 780238762 /nfs/dbraw/zinc/23/87/62/780238762.db2.gz SGQNWIXRRUGVQW-MRVPVSSYSA-N 2 0 261.347 -2.044 20 0 CAADRP O=C(N[C@]1(C(F)(F)F)CC[NH2+]C1)[C@H]1C[NH2+]C[C@H]1O ZINC001219609927 780238888 /nfs/dbraw/zinc/23/88/88/780238888.db2.gz ICGLTADKIJQGPJ-LKEWCRSYSA-N 2 0 267.251 -1.023 20 0 CAADRP O=C(NC[C@]1(O)CC[NH2+]C[C@@H]1F)[C@H]1C[NH2+]CC[C@H]1O ZINC001219617923 780239319 /nfs/dbraw/zinc/23/93/19/780239319.db2.gz QZGSFHONMCVORX-MIZYBKAJSA-N 2 0 275.324 -1.865 20 0 CAADRP C[S@@](=O)CC[C@H]([NH3+])C(=O)NC[C@]1(O)CC[NH2+]C[C@@H]1F ZINC001219619415 780239419 /nfs/dbraw/zinc/23/94/19/780239419.db2.gz HMMDNBJSCAJZQQ-PRBLBBCWSA-N 2 0 295.380 -1.739 20 0 CAADRP N[C@@]1(C(=O)NC[C@]2(O)CC[NH2+]C[C@@H]2F)CC[NH2+]C1 ZINC001219619209 780239507 /nfs/dbraw/zinc/23/95/07/780239507.db2.gz BUJLIDWRWVHXTE-INTQDDNPSA-N 2 0 260.313 -2.144 20 0 CAADRP O=C(NC[C@]1(O)CC[NH2+]C[C@@H]1F)[C@H]1CO[C@@H]2C[NH2+]C[C@H]12 ZINC001219616990 780239536 /nfs/dbraw/zinc/23/95/36/780239536.db2.gz FXKRAGUIFMRPFI-OOTJXSFTSA-N 2 0 287.335 -1.601 20 0 CAADRP O=C(NC[C@]1(O)CC[NH2+]C[C@@H]1F)[C@H]1C[NH2+]CCO1 ZINC001219617786 780239773 /nfs/dbraw/zinc/23/97/73/780239773.db2.gz PHLLEJIVDGXQGF-WCABBAIRSA-N 2 0 261.297 -1.847 20 0 CAADRP O=C(NC[C@]1(O)CC[NH2+]C[C@@H]1F)[C@@]12C[NH2+]C[C@@H]1CCN2 ZINC001219617745 780239833 /nfs/dbraw/zinc/23/98/33/780239833.db2.gz OSIJMXCBOYRVBQ-YRRQLQLVSA-N 2 0 286.351 -1.883 20 0 CAADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N[C@@H]1C=CS(=O)(=O)C1 ZINC001219945451 780279700 /nfs/dbraw/zinc/27/97/00/780279700.db2.gz KHSBYLBHFQLDCJ-BDAKNGLRSA-N 2 0 261.347 -1.130 20 0 CAADRP [NH3+]CCOCCOCC(=O)NC[C@]1(O)CC[NH2+]C[C@@H]1F ZINC001219617062 780239945 /nfs/dbraw/zinc/23/99/45/780239945.db2.gz HKRAXZFVZYRWTR-CMPLNLGQSA-N 2 0 293.339 -1.843 20 0 CAADRP O=C(NC[C@]1(O)CC[NH2+]C[C@@H]1F)[C@@H]1C[C@H](O)C[NH2+]1 ZINC001219616696 780240007 /nfs/dbraw/zinc/24/00/07/780240007.db2.gz BTEWADBOFDFYFC-FTYOSLGDSA-N 2 0 261.297 -2.112 20 0 CAADRP C[C@@]1(C(=O)NC[C@]2(O)CC[NH2+]C[C@@H]2F)CC[NH2+]C[C@@H]1O ZINC001219617761 780240028 /nfs/dbraw/zinc/24/00/28/780240028.db2.gz OXCPYXUZKJQKMD-YRRQLQLVSA-N 2 0 289.351 -1.474 20 0 CAADRP O=C(NC[C@]1(O)CC[NH2+]C[C@@H]1F)[C@H]1C[NH2+]C[C@@H](O)C1 ZINC001219617375 780240258 /nfs/dbraw/zinc/24/02/58/780240258.db2.gz LWVCGOPZXJTFOQ-FYLLDIAZSA-N 2 0 275.324 -1.865 20 0 CAADRP CC(=O)OC[C@H]([NH3+])C(=O)NC[C@]1(O)CC[NH2+]C[C@@H]1F ZINC001219617305 780240351 /nfs/dbraw/zinc/24/03/51/780240351.db2.gz JWOYMQAWICAPQH-ATZCPNFKSA-N 2 0 277.296 -1.945 20 0 CAADRP COC(=O)CC[C@H]([NH3+])C(=O)NC[C@]1(O)CC[NH2+]C[C@@H]1F ZINC001219617275 780240378 /nfs/dbraw/zinc/24/03/78/780240378.db2.gz JLUMUKKEEPZFER-HOTUBEGUSA-N 2 0 291.323 -1.554 20 0 CAADRP [NH3+]CCC[C@@H]([NH3+])C(=O)NC[C@]1(O)CC[NH2+]C[C@@H]1F ZINC001219617975 780240478 /nfs/dbraw/zinc/24/04/78/780240478.db2.gz STVRFBOTJDNRQE-WCABBAIRSA-N 3 0 262.329 -1.769 20 0 CAADRP C[S@](=O)CC[C@H]([NH3+])C(=O)NC[C@]1(O)CC[NH2+]C[C@@H]1F ZINC001219619414 780240490 /nfs/dbraw/zinc/24/04/90/780240490.db2.gz HMMDNBJSCAJZQQ-JCECCZPMSA-N 2 0 295.380 -1.739 20 0 CAADRP [NH3+]CCC[C@H]([NH3+])C(=O)NC[C@]1(O)CC[NH2+]C[C@@H]1F ZINC001219617974 780240530 /nfs/dbraw/zinc/24/05/30/780240530.db2.gz STVRFBOTJDNRQE-ATZCPNFKSA-N 3 0 262.329 -1.769 20 0 CAADRP CC1(C)[NH2+][C@H](C(=O)NC[C@]2(O)CC[NH2+]C[C@@H]2F)CO1 ZINC001219619391 780240637 /nfs/dbraw/zinc/24/06/37/780240637.db2.gz GQNLYCUUDCPPNK-HOTUBEGUSA-N 2 0 275.324 -1.110 20 0 CAADRP [NH3+][C@H](C(=O)NC[C@]1(O)CC[NH2+]C[C@@H]1F)C1CCOCC1 ZINC001219619752 780241304 /nfs/dbraw/zinc/24/13/04/780241304.db2.gz PBOXQBKTUVFMQM-GMXVVIOVSA-N 2 0 289.351 -1.081 20 0 CAADRP CN1CC[NH2+]C[C@@H]1C(=O)NC[C@]1(O)CC[NH2+]C[C@@H]1F ZINC001219622130 780241376 /nfs/dbraw/zinc/24/13/76/780241376.db2.gz NOEDXQJJSZFSFZ-JFGNBEQYSA-N 2 0 274.340 -1.931 20 0 CAADRP O=C(NC[C@]1(O)CC[NH2+]C[C@@H]1F)[C@@H]1C[NH2+]CCC1=O ZINC001219620298 780241428 /nfs/dbraw/zinc/24/14/28/780241428.db2.gz ZJHHWGCRGRYRME-UBHAPETDSA-N 2 0 273.308 -1.656 20 0 CAADRP O=C(C[C@@H]1COCC[NH2+]1)NC[C@]1(O)CC[NH2+]C[C@@H]1F ZINC001219619530 780241522 /nfs/dbraw/zinc/24/15/22/780241522.db2.gz JEOHTDOFHKHXKT-JFGNBEQYSA-N 2 0 275.324 -1.456 20 0 CAADRP C[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)NC[C@]1(O)CC[NH2+]C[C@@H]1F ZINC001219622529 780241717 /nfs/dbraw/zinc/24/17/17/780241717.db2.gz WVQUDIFBWSCBDE-PHGLEFOZSA-N 2 0 290.339 -1.983 20 0 CAADRP [NH3+]CCC[NH2+]CC(=O)NC[C@]1(O)CC[NH2+]C[C@@H]1F ZINC001219619935 780242061 /nfs/dbraw/zinc/24/20/61/780242061.db2.gz RQECIVYFNJCUDO-GXSJLCMTSA-N 3 0 262.329 -1.897 20 0 CAADRP O=C(NC[C@]1(O)CC[NH2+]C[C@@H]1F)[C@H]1[NH2+]CC[C@@H]1O ZINC001219621784 780242104 /nfs/dbraw/zinc/24/21/04/780242104.db2.gz HXHSUGSMTMRFOM-FTYOSLGDSA-N 2 0 261.297 -2.112 20 0 CAADRP Cn1cnc(CCNC(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)c1 ZINC001219633920 780242980 /nfs/dbraw/zinc/24/29/80/780242980.db2.gz JALARIPFVKLWLB-CYBMUJFWSA-N 2 0 294.403 -1.171 20 0 CAADRP O=C(NC[C@@H]1C[C@H](F)C[NH2+]1)[C@H]1COC2(C[NH2+]C2)CN1 ZINC001219635411 780243186 /nfs/dbraw/zinc/24/31/86/780243186.db2.gz FSAMOOKFNPSFTH-LPEHRKFASA-N 2 0 272.324 -1.867 20 0 CAADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)NCCN1CCCCO1 ZINC001219632837 780243386 /nfs/dbraw/zinc/24/33/86/780243386.db2.gz QWMABGFHEGWHFX-CYBMUJFWSA-N 2 0 299.419 -1.120 20 0 CAADRP O=C(NCCN1CCCCO1)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001219632291 780243431 /nfs/dbraw/zinc/24/34/31/780243431.db2.gz JZDVMLMTITZCLU-NSHDSACASA-N 2 0 268.361 -1.061 20 0 CAADRP [NH3+]CCSC[C@H]([NH3+])C(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC001219635330 780243669 /nfs/dbraw/zinc/24/36/69/780243669.db2.gz AXWCXKIHUGXFRX-CIUDSAMLSA-N 3 0 264.370 -1.178 20 0 CAADRP O=C(NC[C@@H]1C[C@H](F)C[NH2+]1)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1 ZINC001219635318 780244088 /nfs/dbraw/zinc/24/40/88/780244088.db2.gz AMLXZFDFBQIXBE-AJBSGBCOSA-N 2 0 256.325 -1.248 20 0 CAADRP O=C(NC[C@]1(O)CC[NH2+]C[C@@H]1F)c1n[nH]c2c1CC[NH2+]C2 ZINC001219628251 780244307 /nfs/dbraw/zinc/24/43/07/780244307.db2.gz TXPAZVSBLFUIHX-GXFFZTMASA-N 2 0 297.334 -1.152 20 0 CAADRP C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)NC[C@@H]1C[NH2+]C[C@@H](C)C1 ZINC001219650758 780244769 /nfs/dbraw/zinc/24/47/69/780244769.db2.gz QQJKUXONLYYQKN-NAKRPEOUSA-N 2 0 286.376 -1.828 20 0 CAADRP C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC001219638726 780245297 /nfs/dbraw/zinc/24/52/97/780245297.db2.gz PMPPGONOSBCXTA-JBDRJPRFSA-N 2 0 276.312 -2.373 20 0 CAADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC001219638582 780245369 /nfs/dbraw/zinc/24/53/69/780245369.db2.gz NLTXATWSZYJADW-DLOVCJGASA-N 3 0 287.383 -1.447 20 0 CAADRP C[C@@H]1C[NH2+]C[C@@H](CNC(=O)[C@H]2COC3(C[NH2+]C3)CN2)C1 ZINC001219641911 780245410 /nfs/dbraw/zinc/24/54/10/780245410.db2.gz MPWRZSGMDFWYQS-SDDRHHMPSA-N 2 0 282.388 -1.321 20 0 CAADRP C[C@H]1C[NH2+]C[C@@H](CNC(=O)/C=C/C(=O)NCC[NH3+])C1 ZINC001219641882 780245503 /nfs/dbraw/zinc/24/55/03/780245503.db2.gz MMAVTTOBVHZDRV-NTYHVHHESA-N 2 0 268.361 -1.021 20 0 CAADRP C[C@@H]1C[NH2+]C[C@H](CNC(=O)[C@@H]2NC(=O)CC23C[NH2+]C3)C1 ZINC001219640838 780245637 /nfs/dbraw/zinc/24/56/37/780245637.db2.gz CHGMDASTJOUFAG-UMNHJUIQSA-N 2 0 280.372 -1.174 20 0 CAADRP C[C@@H]1C[NH2+]C[C@@H](CNC(=O)[C@H]2NC(=O)CC23C[NH2+]C3)C1 ZINC001219640834 780245831 /nfs/dbraw/zinc/24/58/31/780245831.db2.gz CHGMDASTJOUFAG-JBLDHEPKSA-N 2 0 280.372 -1.174 20 0 CAADRP O=C(N[C@@H]1CCS(=O)(=O)C1)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001219672007 780247209 /nfs/dbraw/zinc/24/72/09/780247209.db2.gz ZXQYPVLBIBQLHS-CKYFFXLPSA-N 2 0 287.385 -1.511 20 0 CAADRP [NH3+]CCSC[C@H]([NH3+])C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC001219671710 780247593 /nfs/dbraw/zinc/24/75/93/780247593.db2.gz OOOOLJSOEQTTRF-YUMQZZPRSA-N 2 0 281.403 -1.691 20 0 CAADRP CN1CCO[C@@H](CNC(=O)[C@@H]([NH3+])CSCC[NH3+])C1 ZINC001219694123 780248468 /nfs/dbraw/zinc/24/84/68/780248468.db2.gz FPGLPVPWMNFVGM-UWVGGRQHSA-N 2 0 276.406 -1.548 20 0 CAADRP C[C@@H]1C[C@@H](CNC(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)C[NH2+]1 ZINC001219684841 780248241 /nfs/dbraw/zinc/24/82/41/780248241.db2.gz TWDVYEAUDVQULO-GMTAPVOTSA-N 3 0 252.362 -1.090 20 0 CAADRP CCOC(=O)CCNC(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001219693097 780248337 /nfs/dbraw/zinc/24/83/37/780248337.db2.gz NMWQYKVDCHMOMP-LLVKDONJSA-N 2 0 286.376 -1.194 20 0 CAADRP CN1CCO[C@H](CNC(=O)[C@@H]([NH3+])CSCC[NH3+])C1 ZINC001219694130 780248384 /nfs/dbraw/zinc/24/83/84/780248384.db2.gz FPGLPVPWMNFVGM-ZJUUUORDSA-N 2 0 276.406 -1.548 20 0 CAADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)NCc1cc[nH]n1 ZINC001219689521 780248447 /nfs/dbraw/zinc/24/84/47/780248447.db2.gz WLBUKVRRWJZRBG-LLVKDONJSA-N 2 0 266.349 -1.224 20 0 CAADRP CCOC(=O)CCNC(=O)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001219691659 780248917 /nfs/dbraw/zinc/24/89/17/780248917.db2.gz SVLKXBRLMCJTJZ-SECBINFHSA-N 2 0 255.318 -1.135 20 0 CAADRP NC(=O)C1(NC(=O)[C@@H]2CCC3(CC[NH2+]CC3)[NH2+]2)CC1 ZINC001219683044 780249101 /nfs/dbraw/zinc/24/91/01/780249101.db2.gz SZDLOSGSCBXOMT-VIFPVBQESA-N 2 0 266.345 -1.005 20 0 CAADRP C[C@@H]1C[C@@H](CNC(=O)[C@@H]2COC3(C[NH2+]C3)CN2)C[NH2+]1 ZINC001219683684 780249116 /nfs/dbraw/zinc/24/91/16/780249116.db2.gz DKSRVARWYCFDQF-MXWKQRLJSA-N 2 0 268.361 -1.569 20 0 CAADRP C[S@@](=O)CC[C@H]([NH3+])C(=O)NCCC1(O)C[NH2+]C1 ZINC001219696890 780249912 /nfs/dbraw/zinc/24/99/12/780249912.db2.gz NHIIPDXUTQCBFA-WNWIJWBNSA-N 2 0 263.363 -2.077 20 0 CAADRP [NH3+][C@@H](Cc1cnc[nH]1)C(=O)NCCC1(O)C[NH2+]C1 ZINC001219695255 780249917 /nfs/dbraw/zinc/24/99/17/780249917.db2.gz SKOGGJONBJKWIK-VIFPVBQESA-N 2 0 253.306 -1.880 20 0 CAADRP O=C(NCCC1(O)C[NH2+]C1)[C@]12C[NH2+]C[C@H]1CCN2 ZINC001219696202 780249967 /nfs/dbraw/zinc/24/99/67/780249967.db2.gz CCJDNQSHZDXRIE-SKDRFNHKSA-N 2 0 254.334 -2.222 20 0 CAADRP CN1CCO[C@H](CNC(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)C1 ZINC001219695230 780249996 /nfs/dbraw/zinc/24/99/96/780249996.db2.gz RUKPYRZGNORIFX-CHWSQXEVSA-N 2 0 299.419 -1.816 20 0 CAADRP O=C(NCCC1(O)C[NH2+]C1)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001219696636 780250468 /nfs/dbraw/zinc/25/04/68/780250468.db2.gz KTZLEDIMXHCQNN-SECBINFHSA-N 3 0 254.334 -2.364 20 0 CAADRP O=C(NCCC1(O)C[NH2+]C1)[C@@]12C[NH2+]C[C@@H]1CCN2 ZINC001219696201 780250483 /nfs/dbraw/zinc/25/04/83/780250483.db2.gz CCJDNQSHZDXRIE-JOYOIKCWSA-N 2 0 254.334 -2.222 20 0 CAADRP CN1CCO[C@H](CNC(=O)[C@H]([NH3+])C2CC[NH2+]CC2)C1 ZINC001219694163 780250497 /nfs/dbraw/zinc/25/04/97/780250497.db2.gz FYWLTHRDFSEARF-VXGBXAGGSA-N 2 0 270.377 -1.240 20 0 CAADRP C[S@](=O)CC[C@H]([NH3+])C(=O)NCCC1(O)C[NH2+]C1 ZINC001219696884 780250558 /nfs/dbraw/zinc/25/05/58/780250558.db2.gz NHIIPDXUTQCBFA-QPFGOUBPSA-N 2 0 263.363 -2.077 20 0 CAADRP CN1CCO[C@@H](CNC(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)C1 ZINC001219695233 780250812 /nfs/dbraw/zinc/25/08/12/780250812.db2.gz RUKPYRZGNORIFX-QWHCGFSZSA-N 2 0 299.419 -1.816 20 0 CAADRP [NH3+][C@@H](C(=O)NCCC1(O)C[NH2+]C1)C1CC[NH2+]CC1 ZINC001219697221 780250846 /nfs/dbraw/zinc/25/08/46/780250846.db2.gz PVTMKYFBKCTIQS-SNVBAGLBSA-N 3 0 256.350 -1.846 20 0 CAADRP O=C(N[C@@H]1C[NH2+]C[C@H]1O)[C@H]1CO[C@@]2(C1)CCC[NH2+]CC2 ZINC001219712822 780251572 /nfs/dbraw/zinc/25/15/72/780251572.db2.gz XFXZCJZYKDIMCJ-BYNQJWBRSA-N 2 0 283.372 -1.016 20 0 CAADRP CC(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H]1C[NH2+]C[C@H]1O ZINC001219714345 780251617 /nfs/dbraw/zinc/25/16/17/780251617.db2.gz JEYMHCAVSNMKET-HBNTYKKESA-N 2 0 272.349 -1.931 20 0 CAADRP CC(C)C[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H]1C[NH2+]C[C@H]1O ZINC001219711657 780251786 /nfs/dbraw/zinc/25/17/86/780251786.db2.gz GEIHRXZXAPZHGQ-UKKRHICBSA-N 2 0 286.376 -1.687 20 0 CAADRP O=C(N[C@@H]1C[NH2+]C[C@H]1O)[C@@H]1COC2(C[NH2+]C2)CN1 ZINC001219712370 780251799 /nfs/dbraw/zinc/25/17/99/780251799.db2.gz OFGAOEDVCMLAQS-HRDYMLBCSA-N 2 0 256.306 -3.234 20 0 CAADRP CC(C)C[C@H](NC(=O)C[NH3+])C(=O)N[C@@H]1C[NH2+]C[C@H]1O ZINC001219714705 780252190 /nfs/dbraw/zinc/25/21/90/780252190.db2.gz UYTRUZBDZACLLM-IVZWLZJFSA-N 2 0 272.349 -2.075 20 0 CAADRP Nc1nc(=O)[nH]cc1NC(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001219701999 780252429 /nfs/dbraw/zinc/25/24/29/780252429.db2.gz VGTKNUPKWWXNPE-JMCQJSRRSA-N 2 0 278.316 -1.098 20 0 CAADRP C[NH2+][C@@H](CC(=O)OC(C)(C)C)C(=O)N[C@@H]1C[NH2+]C[C@H]1O ZINC001219712761 780252477 /nfs/dbraw/zinc/25/24/77/780252477.db2.gz VUAORGDROXMISS-IVZWLZJFSA-N 2 0 287.360 -1.245 20 0 CAADRP CC(C)(C)O[C@H]1C[NH2+][C@H](C(=O)N[C@@H]2C[NH2+]C[C@H]2O)C1 ZINC001219712364 780252556 /nfs/dbraw/zinc/25/25/56/780252556.db2.gz OBYCTYXMVUMYFS-LMLFDSFASA-N 2 0 271.361 -1.019 20 0 CAADRP [NH3+][C@H]1COC[C@H]1NC(=O)[C@H]1CCCN([C@H]2CC[NH2+]C2)C1 ZINC001219720160 780253114 /nfs/dbraw/zinc/25/31/14/780253114.db2.gz HKVSGKFRLFHQCJ-ZDEQEGDKSA-N 2 0 282.388 -1.097 20 0 CAADRP O=C(NC[C@H]1CC2(C[NH2+]C2)CO1)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC001219736179 780253210 /nfs/dbraw/zinc/25/32/10/780253210.db2.gz BNDZDHQHVALTGF-ZNSHCXBVSA-N 2 0 251.330 -1.054 20 0 CAADRP CC(=O)OC[C@H]([NH3+])C(=O)NC[C@H]1CC2(C[NH2+]C2)CO1 ZINC001219736530 780253296 /nfs/dbraw/zinc/25/32/96/780253296.db2.gz DGOAKQLSEOCMMQ-ZJUUUORDSA-N 2 0 271.317 -1.629 20 0 CAADRP [NH3+][C@H]1COC[C@H]1NC(=O)[C@@H]1CCCN([C@@H]2CC[NH2+]C2)C1 ZINC001219720156 780253396 /nfs/dbraw/zinc/25/33/96/780253396.db2.gz HKVSGKFRLFHQCJ-FVCCEPFGSA-N 2 0 282.388 -1.097 20 0 CAADRP O=C(NC[C@H]1CC2(C[NH2+]C2)CO1)[C@H]1[NH2+]CC[C@@H]1O ZINC001219739510 780253415 /nfs/dbraw/zinc/25/34/15/780253415.db2.gz QHJIEOYXWQSWOX-UTLUCORTSA-N 2 0 255.318 -1.796 20 0 CAADRP [NH3+][C@H]1COC[C@H]1NC(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001219720317 780253630 /nfs/dbraw/zinc/25/36/30/780253630.db2.gz IBUQQSITOFZPBL-DTHBNOIPSA-N 3 0 254.334 -1.972 20 0 CAADRP [NH3+][C@H]1COC[C@H]1NC(=O)[C@@H]1CCCN([C@H]2CC[NH2+]C2)C1 ZINC001219720157 780253674 /nfs/dbraw/zinc/25/36/74/780253674.db2.gz HKVSGKFRLFHQCJ-MROQNXINSA-N 2 0 282.388 -1.097 20 0 CAADRP O=C(CNC1CC[NH2+]CC1)NC[C@@H]1CC2(C[NH2+]C2)CO1 ZINC001219736964 780253791 /nfs/dbraw/zinc/25/37/91/780253791.db2.gz LOMLJRGPLIADDF-LBPRGKRZSA-N 2 0 282.388 -1.177 20 0 CAADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)N[C@@H]1COC[C@@H]1[NH3+] ZINC001219720289 780253813 /nfs/dbraw/zinc/25/38/13/780253813.db2.gz HYSOEPLZMXZIMI-GARJFASQSA-N 3 0 271.365 -2.421 20 0 CAADRP [NH3+][C@@H]1CN[C@H](C(=O)NC[C@@H]2CC3(C[NH2+]C3)CO2)C1 ZINC001219739945 780254127 /nfs/dbraw/zinc/25/41/27/780254127.db2.gz YZKMHYOGVPJUKL-GUBZILKMSA-N 2 0 254.334 -1.830 20 0 CAADRP C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N[C@@H]1COC[C@@H]1[NH3+] ZINC001219720976 780254330 /nfs/dbraw/zinc/25/43/30/780254330.db2.gz WXFOMRZNGJMMQO-DKXJUACHSA-N 2 0 260.294 -3.347 20 0 CAADRP O=C(NC[C@@H]1CC2(C[NH2+]C2)CO1)[C@@H]1C[NH2+]CCN1 ZINC001219737314 780254749 /nfs/dbraw/zinc/25/47/49/780254749.db2.gz SSALVWAONNIYQO-UWVGGRQHSA-N 2 0 254.334 -1.958 20 0 CAADRP Cn1cncc1C[C@H]([NH3+])C(=O)NC[C@@H]1CC2(C[NH2+]C2)CO1 ZINC001219737086 780254758 /nfs/dbraw/zinc/25/47/58/780254758.db2.gz OLBQACUGMCDGQH-RYUDHWBXSA-N 2 0 293.371 -1.215 20 0 CAADRP O=C(C[C@@H]1COCC[NH2+]1)NC[C@@H]1CC2(C[NH2+]C2)CO1 ZINC001219739072 780254872 /nfs/dbraw/zinc/25/48/72/780254872.db2.gz GLJHSCPWSNNZOH-MNOVXSKESA-N 2 0 269.345 -1.140 20 0 CAADRP [NH3+][C@H](C(=O)NC[C@H]1CC2(C[NH2+]C2)CO1)C1CC[NH2+]CC1 ZINC001219737089 780255005 /nfs/dbraw/zinc/25/50/05/780255005.db2.gz OLMSXVIFSFBUPB-NEPJUHHUSA-N 3 0 282.388 -1.192 20 0 CAADRP O=C(NC[C@@H]1CC2(C[NH2+]C2)CO1)[C@]12C[NH2+]C[C@@H]1CCN2 ZINC001219737276 780255018 /nfs/dbraw/zinc/25/50/18/780255018.db2.gz RUPKCBQVZRMEOA-MJVIPROJSA-N 2 0 280.372 -1.567 20 0 CAADRP O=C(NC[C@@H]1CC2(C[NH2+]C2)CO1)[C@H]1COC2(C[NH2+]C2)CN1 ZINC001219736748 780255038 /nfs/dbraw/zinc/25/50/38/780255038.db2.gz GMNAQMWPRYDPHE-WDEREUQCSA-N 2 0 296.371 -2.189 20 0 CAADRP O=C(NC[C@@H]1CC2(C[NH2+]C2)CO1)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001219737592 780255112 /nfs/dbraw/zinc/25/51/12/780255112.db2.gz ZRYVJLWJWKJHJP-WDEREUQCSA-N 3 0 280.372 -1.710 20 0 CAADRP O=C(NC[C@@H]1CC2(C[NH2+]C2)CO1)[C@H]1C[NH2+]CCN1 ZINC001219737315 780255495 /nfs/dbraw/zinc/25/54/95/780255495.db2.gz SSALVWAONNIYQO-VHSXEESVSA-N 2 0 254.334 -1.958 20 0 CAADRP O=C(NC[C@@H]1CC2(C[NH2+]C2)CO1)[C@@]12C[NH2+]C[C@H]1CCN2 ZINC001219737278 780255646 /nfs/dbraw/zinc/25/56/46/780255646.db2.gz RUPKCBQVZRMEOA-UHIISALHSA-N 2 0 280.372 -1.567 20 0 CAADRP [NH3+]CCCC[C@H]([NH3+])C(=O)NC[C@@H]1CC2(C[NH2+]C2)CO1 ZINC001219737356 780255710 /nfs/dbraw/zinc/25/57/10/780255710.db2.gz UHQDJUUGRSOLER-QWRGUYRKSA-N 3 0 270.377 -1.063 20 0 CAADRP [NH3+][C@@H](C(=O)NC[C@H]1CC2(C[NH2+]C2)CO1)C1CC[NH2+]CC1 ZINC001219737092 780255829 /nfs/dbraw/zinc/25/58/29/780255829.db2.gz OLMSXVIFSFBUPB-VXGBXAGGSA-N 3 0 282.388 -1.192 20 0 CAADRP O=C(C[C@H]1COCC[NH2+]1)NC[C@@H]1CC2(C[NH2+]C2)CO1 ZINC001219739073 780255892 /nfs/dbraw/zinc/25/58/92/780255892.db2.gz GLJHSCPWSNNZOH-QWRGUYRKSA-N 2 0 269.345 -1.140 20 0 CAADRP NC(=O)NCCC[C@@H]([NH3+])C(=O)NC[C@H]1CC2(C[NH2+]C2)CO1 ZINC001219737533 780255897 /nfs/dbraw/zinc/25/58/97/780255897.db2.gz YNALUCZRZQKDTE-NXEZZACHSA-N 2 0 299.375 -1.743 20 0 CAADRP [NH3+][C@@H]1CN[C@H](C(=O)NC[C@H]2CC3(C[NH2+]C3)CO2)C1 ZINC001219739944 780255933 /nfs/dbraw/zinc/25/59/33/780255933.db2.gz YZKMHYOGVPJUKL-AEJSXWLSSA-N 2 0 254.334 -1.830 20 0 CAADRP O=C(NCc1nnc2n1CCC[NH2+]C2)[C@@H]1C[NH2+]C[C@H]1O ZINC001219749217 780256332 /nfs/dbraw/zinc/25/63/32/780256332.db2.gz KGGWLKMTRKOZBE-RKDXNWHRSA-N 2 0 280.332 -2.032 20 0 CAADRP N[C@@H](C[NH3+])C(=O)NC[C@H]1CCC2(CC[NH2+]CC2)O1 ZINC001219743804 780256609 /nfs/dbraw/zinc/25/66/09/780256609.db2.gz MLRCJIPCCVMMTC-ZJUUUORDSA-N 2 0 256.350 -1.310 20 0 CAADRP [NH3+]C[C@H](O)CC(=O)NCc1nnc2n1CCC[NH2+]C2 ZINC001219747200 780256649 /nfs/dbraw/zinc/25/66/49/780256649.db2.gz RQORSWQVHMRECS-MRVPVSSYSA-N 2 0 268.321 -1.903 20 0 CAADRP O=C(NCc1nnc2n1CCC[NH2+]C2)[C@@H]1C[NH2+]C[C@@H]1O ZINC001219749214 780256814 /nfs/dbraw/zinc/25/68/14/780256814.db2.gz KGGWLKMTRKOZBE-BDAKNGLRSA-N 2 0 280.332 -2.032 20 0 CAADRP N[C@H]1C[NH2+]C[C@@H]1C(=O)NC[C@@H]1CCC2(CC[NH2+]CC2)O1 ZINC001219744219 780257008 /nfs/dbraw/zinc/25/70/08/780257008.db2.gz VFTXTFXPESLPRW-SRVKXCTJSA-N 2 0 282.388 -1.050 20 0 CAADRP N[C@@H](CC[NH3+])C(=O)NCc1nnc2n1CCC[NH2+]C2 ZINC001219750280 780257160 /nfs/dbraw/zinc/25/71/60/780257160.db2.gz ZWVPWNSXIDBEQX-QMMMGPOBSA-N 2 0 267.337 -1.936 20 0 CAADRP N[C@H]1C[NH2+]C[C@@H]1C(=O)NC[C@H]1CCC2(CC[NH2+]CC2)O1 ZINC001219744220 780257174 /nfs/dbraw/zinc/25/71/74/780257174.db2.gz VFTXTFXPESLPRW-WOPDTQHZSA-N 2 0 282.388 -1.050 20 0 CAADRP [NH3+]C1(C(=O)NCc2nnc3n2CCC[NH2+]C3)CC1 ZINC001219749663 780257405 /nfs/dbraw/zinc/25/74/05/780257405.db2.gz PSXXJMOCXQUZAK-UHFFFAOYSA-N 2 0 250.306 -1.121 20 0 CAADRP N[C@]1(C(=O)NC[C@H]2C[C@H]3CNCC[N@@H+]3C2)CCC[NH2+]C1 ZINC001219766627 780258264 /nfs/dbraw/zinc/25/82/64/780258264.db2.gz YJMPOBZWNOZGHY-MBNYWOFBSA-N 2 0 281.404 -1.523 20 0 CAADRP O=C(CNC1CC[NH2+]CC1)NC[C@H]1C[C@H]2CNCC[N@@H+]2C1 ZINC001219764763 780258466 /nfs/dbraw/zinc/25/84/66/780258466.db2.gz LEDWAGUCVCFAKK-OCCSQVGLSA-N 2 0 295.431 -1.262 20 0 CAADRP [NH3+]CCC[C@H]([NH3+])C(=O)NC[C@H]1C[C@H]2CNCC[N@@H+]2C1 ZINC001219765016 780258728 /nfs/dbraw/zinc/25/87/28/780258728.db2.gz RVLVVWGACFHMCW-WOPDTQHZSA-N 3 0 269.393 -1.538 20 0 CAADRP O=C(NC[C@H]1C[C@H]2CNCC[N@@H+]2C1)[C@@]12C[NH2+]C[C@@H]1CCN2 ZINC001219765088 780258977 /nfs/dbraw/zinc/25/89/77/780258977.db2.gz ULXFRBHHSRYMJY-UKTARXLSSA-N 2 0 293.415 -1.652 20 0 CAADRP [NH3+]C[C@@H](O)CC(=O)NC[C@H]1C[C@H]2CNCC[N@@H+]2C1 ZINC001219764315 780259096 /nfs/dbraw/zinc/25/90/96/780259096.db2.gz CYIMFYSCQTXAJT-VWYCJHECSA-N 2 0 256.350 -1.894 20 0 CAADRP O=C(NC[C@]1(F)CCC[NH2+]C1)[C@H]1COC2(C[NH2+]C2)CN1 ZINC001219767808 780259113 /nfs/dbraw/zinc/25/91/13/780259113.db2.gz FIYPEZYOYJCWFS-PWSUYJOCSA-N 2 0 286.351 -1.475 20 0 CAADRP O=C(NC[C@H]1C[C@H]2CNCC[N@@H+]2C1)[C@@H]1C[C@H](O)C[NH2+]1 ZINC001219764603 780259231 /nfs/dbraw/zinc/25/92/31/780259231.db2.gz ITDVHIVDRQEPTH-RHYQMDGZSA-N 2 0 268.361 -1.881 20 0 CAADRP O=C(CN1CC[NH2+]CC1)NC[C@H]1C[C@H]2CNCC[N@@H+]2C1 ZINC001219764921 780259288 /nfs/dbraw/zinc/25/92/88/780259288.db2.gz PHSZBAUKJLPBOF-OLZOCXBDSA-N 2 0 281.404 -1.699 20 0 CAADRP O=C(NC[C@H]1C[C@H]2CNCC[N@@H+]2C1)[C@H]1[NH2+]CC[C@H]1O ZINC001219765938 780259348 /nfs/dbraw/zinc/25/93/48/780259348.db2.gz IVAQCGZKLRTVME-KXNHARMFSA-N 2 0 268.361 -1.881 20 0 CAADRP O=C(NC[C@H]1C[C@H]2CNCC[N@@H+]2C1)[C@@H]1C[NH2+]CCN1 ZINC001219765864 780259509 /nfs/dbraw/zinc/25/95/09/780259509.db2.gz FUGYXYVEVSQCAV-WOPDTQHZSA-N 2 0 267.377 -2.042 20 0 CAADRP O=C(C[C@@H]1COCC[NH2+]1)NC[C@H]1C[C@H]2CNCC[N@@H+]2C1 ZINC001219766118 780259672 /nfs/dbraw/zinc/25/96/72/780259672.db2.gz MNYPMLHGKNPXEJ-UPJWGTAASA-N 2 0 282.388 -1.225 20 0 CAADRP O=C(NCC[C@@H]1CCOC12C[NH2+]C2)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001219800408 780260604 /nfs/dbraw/zinc/26/06/04/780260604.db2.gz JMXMXFBAGOQDFR-NEPJUHHUSA-N 3 0 294.399 -1.320 20 0 CAADRP C[NH+](C)C1(C(=O)N[C@@H]2CN(CCO)C[C@@H]2O)CCC1 ZINC001219798659 780260810 /nfs/dbraw/zinc/26/08/10/780260810.db2.gz QCPHMUSNLJIFLL-MNOVXSKESA-N 2 0 271.361 -1.376 20 0 CAADRP N[C@@H](CC[NH3+])C(=O)NCC[C@H]1CCOC12C[NH2+]C2 ZINC001219799739 780260844 /nfs/dbraw/zinc/26/08/44/780260844.db2.gz BMUXBSJYCNXOSV-UWVGGRQHSA-N 2 0 256.350 -1.453 20 0 CAADRP [NH3+]CCC[C@@H]([NH3+])C(=O)NCC[C@H]1CCOC12C[NH2+]C2 ZINC001219800389 780260894 /nfs/dbraw/zinc/26/08/94/780260894.db2.gz IYAZXSLOKQSWOT-WDEREUQCSA-N 3 0 270.377 -1.063 20 0 CAADRP O=C(NC1CC[NH+](C2CC[NH2+]CC2)CC1)[C@@H]1C[NH2+]CCN1 ZINC001219796416 780260909 /nfs/dbraw/zinc/26/09/09/780260909.db2.gz ZDVAPKBNHKGZLY-AWEZNQCLSA-N 3 0 295.431 -1.120 20 0 CAADRP [NH3+][C@@H]1CN[C@H](C(=O)NCC[C@H]2CCOC23C[NH2+]C3)C1 ZINC001219799730 780260922 /nfs/dbraw/zinc/26/09/22/780260922.db2.gz BISQTPMHVHNBKQ-DCAQKATOSA-N 3 0 268.361 -1.440 20 0 CAADRP O=C(NCC[C@H]1CCOC12C[NH2+]C2)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001219800410 780260968 /nfs/dbraw/zinc/26/09/68/780260968.db2.gz JMXMXFBAGOQDFR-RYUDHWBXSA-N 3 0 294.399 -1.320 20 0 CAADRP O=C(NCC[C@H]1CCOC12C[NH2+]C2)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001219800409 780261019 /nfs/dbraw/zinc/26/10/19/780261019.db2.gz JMXMXFBAGOQDFR-NWDGAFQWSA-N 3 0 294.399 -1.320 20 0 CAADRP N[C@]1(C(=O)NCC[C@@H]2CCOC23C[NH2+]C3)CC[NH2+]C1 ZINC001219800215 780261207 /nfs/dbraw/zinc/26/12/07/780261207.db2.gz HWTXSIXBIDZPQQ-ZYHUDNBSSA-N 2 0 268.361 -1.438 20 0 CAADRP N[C@]1(C(=O)NCC[C@H]2CCOC23C[NH2+]C3)CC[NH2+]C1 ZINC001219800212 780261263 /nfs/dbraw/zinc/26/12/63/780261263.db2.gz HWTXSIXBIDZPQQ-CMPLNLGQSA-N 2 0 268.361 -1.438 20 0 CAADRP [NH3+][C@H]1CN[C@H](C(=O)NCC[C@H]2CCOC23C[NH2+]C3)C1 ZINC001219799729 780261286 /nfs/dbraw/zinc/26/12/86/780261286.db2.gz BISQTPMHVHNBKQ-AXFHLTTASA-N 3 0 268.361 -1.440 20 0 CAADRP O=C(NC1CC2(C1)CC[NH2+]CC2)[C@H]1COC2(C[NH2+]C2)CN1 ZINC001219773332 780261304 /nfs/dbraw/zinc/26/13/04/780261304.db2.gz QKRBMLOHNOXNDE-GFCCVEGCSA-N 2 0 294.399 -1.035 20 0 CAADRP O=C(NCC[C@@H]1CCOC12C[NH2+]C2)[C@@H]1C[NH2+]C[C@H]1O ZINC001219799793 780261353 /nfs/dbraw/zinc/26/13/53/780261353.db2.gz CPZAEQRRUHEAFI-GMTAPVOTSA-N 2 0 269.345 -1.549 20 0 CAADRP C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)NC[C@@]1(F)CCC[NH2+]C1 ZINC001219771718 780261362 /nfs/dbraw/zinc/26/13/62/780261362.db2.gz QNSJXWFPXOLFRI-HOTUBEGUSA-N 2 0 290.339 -1.981 20 0 CAADRP N[C@@H](C[NH3+])C(=O)NCC[C@H]1C[NH2+]Cc2cccn2C1 ZINC001219787819 780261398 /nfs/dbraw/zinc/26/13/98/780261398.db2.gz LYCGVRTXBZAOJB-JQWIXIFHSA-N 2 0 265.361 -1.000 20 0 CAADRP [NH3+]C[C@H](O)CC(=O)NCC[C@@H]1CCOC12C[NH2+]C2 ZINC001219800366 780261412 /nfs/dbraw/zinc/26/14/12/780261412.db2.gz IPMLITQAEUZTRO-NXEZZACHSA-N 2 0 257.334 -1.419 20 0 CAADRP [NH3+][C@@H]1CN[C@H](C(=O)NCC[C@@H]2CCOC23C[NH2+]C3)C1 ZINC001219799732 780261459 /nfs/dbraw/zinc/26/14/59/780261459.db2.gz BISQTPMHVHNBKQ-VWYCJHECSA-N 3 0 268.361 -1.440 20 0 CAADRP [NH3+]CCNCC(=O)NCC[C@@H]1CCOC12C[NH2+]C2 ZINC001219799985 780261485 /nfs/dbraw/zinc/26/14/85/780261485.db2.gz FQUNWHKDQYEFBE-SNVBAGLBSA-N 2 0 256.350 -1.581 20 0 CAADRP [NH3+]CCC[C@H]([NH3+])C(=O)NCC[C@H]1CCOC12C[NH2+]C2 ZINC001219800388 780261517 /nfs/dbraw/zinc/26/15/17/780261517.db2.gz IYAZXSLOKQSWOT-QWRGUYRKSA-N 3 0 270.377 -1.063 20 0 CAADRP [NH3+]CCC[C@H]([NH3+])C(=O)NCC[C@@H]1CCOC12C[NH2+]C2 ZINC001219800387 780261592 /nfs/dbraw/zinc/26/15/92/780261592.db2.gz IYAZXSLOKQSWOT-MNOVXSKESA-N 3 0 270.377 -1.063 20 0 CAADRP N[C@@H](CC[NH3+])C(=O)NCC[C@@H]1CCOC12C[NH2+]C2 ZINC001219799740 780261669 /nfs/dbraw/zinc/26/16/69/780261669.db2.gz BMUXBSJYCNXOSV-ZJUUUORDSA-N 2 0 256.350 -1.453 20 0 CAADRP [NH3+]CCSC[C@H]([NH3+])C(=O)NCc1noc2c1C[NH2+]CC2 ZINC001219811332 780262181 /nfs/dbraw/zinc/26/21/81/780262181.db2.gz PIBURRVZFYAWIM-VIFPVBQESA-N 3 0 299.400 -1.044 20 0 CAADRP N[C@H]1C[NH2+]C[C@@H]1C(=O)NCc1noc2c1C[NH2+]CC2 ZINC001219811062 780262501 /nfs/dbraw/zinc/26/25/01/780262501.db2.gz JDSCUWITSSRFPE-CBAPKCEASA-N 2 0 265.317 -1.517 20 0 CAADRP O=C(NC[C@]12C[NH2+]C[C@H]1COC2)[C@]12C[NH2+]C[C@H]1CCN2 ZINC001219812906 780262622 /nfs/dbraw/zinc/26/26/22/780262622.db2.gz KOVIMGHWZFNURD-XWUBHJNHSA-N 2 0 280.372 -1.710 20 0 CAADRP O=C(NCc1noc2c1C[NH2+]CC2)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001219809953 780262746 /nfs/dbraw/zinc/26/27/46/780262746.db2.gz XHAOOBYCQFCPNE-SNVBAGLBSA-N 3 0 291.355 -1.255 20 0 CAADRP [NH3+]CCC[C@@H]([NH3+])C(=O)NC[C@]12C[NH2+]C[C@H]1COC2 ZINC001219812894 780262896 /nfs/dbraw/zinc/26/28/96/780262896.db2.gz KIKQQALKQDYXPO-UMNHJUIQSA-N 3 0 256.350 -1.595 20 0 CAADRP O=C(NCc1noc2c1C[NH2+]CC2)[C@H]1[NH2+]CC[C@H]1O ZINC001219810683 780262984 /nfs/dbraw/zinc/26/29/84/780262984.db2.gz AIGGUURWTUFVBW-KOLCDFICSA-N 2 0 266.301 -1.341 20 0 CAADRP O=C(NCC[C@@H]1CCOC12C[NH2+]C2)[C@@H]1C[NH2+]CCN1 ZINC001219800615 780262996 /nfs/dbraw/zinc/26/29/96/780262996.db2.gz LILQSMRAHQVQNF-MNOVXSKESA-N 2 0 268.361 -1.567 20 0 CAADRP [NH3+][C@@H](C(=O)NC[C@]12C[NH2+]C[C@H]1COC2)C1CC[NH2+]CC1 ZINC001219813396 780263066 /nfs/dbraw/zinc/26/30/66/780263066.db2.gz SAMHDFXIZFKIMF-SCRDCRAPSA-N 3 0 282.388 -1.335 20 0 CAADRP O=C(NCC[C@H]1CCOC12C[NH2+]C2)[C@@H]1C[NH2+]CCN1 ZINC001219800616 780263230 /nfs/dbraw/zinc/26/32/30/780263230.db2.gz LILQSMRAHQVQNF-QWRGUYRKSA-N 2 0 268.361 -1.567 20 0 CAADRP O=C(NCc1noc2c1C[NH2+]CC2)[C@@]12C[NH2+]C[C@H]1CCN2 ZINC001219809996 780263176 /nfs/dbraw/zinc/26/31/76/780263176.db2.gz YNYSGKXWMPPBNB-YMTOWFKASA-N 2 0 291.355 -1.112 20 0 CAADRP O=C(CN1CC[NH2+]CC1)NC[C@]12C[NH2+]C[C@H]1COC2 ZINC001219812507 780263218 /nfs/dbraw/zinc/26/32/18/780263218.db2.gz DAMRWRHGIHCFTD-AAEUAGOBSA-N 2 0 268.361 -1.756 20 0 CAADRP O=C(NCC[C@H]1CCOC12C[NH2+]C2)[C@H]1[NH2+]CC[C@@H]1O ZINC001219803361 780263224 /nfs/dbraw/zinc/26/32/24/780263224.db2.gz RJXLHDPCOMBETG-DCAQKATOSA-N 2 0 269.345 -1.406 20 0 CAADRP N[C@@]1(C(=O)NCc2noc3c2C[NH2+]CC3)CC[NH2+]C1 ZINC001219811343 780263456 /nfs/dbraw/zinc/26/34/56/780263456.db2.gz PLXDHWAREINNQB-LBPRGKRZSA-N 2 0 265.317 -1.373 20 0 CAADRP O=C(NCc1noc2c1C[NH2+]CC2)[C@@H]1C[NH2+]C[C@H]1O ZINC001219810796 780263405 /nfs/dbraw/zinc/26/34/05/780263405.db2.gz DEMUXAFZXWWNAE-PSASIEDQSA-N 2 0 266.301 -1.483 20 0 CAADRP O=C(NCc1noc2c1C[NH2+]CC2)[C@H]1C[C@@H](O)C[NH2+]1 ZINC001219809064 780263469 /nfs/dbraw/zinc/26/34/69/780263469.db2.gz CSJARIFHLXFQMD-VXNVDRBHSA-N 2 0 266.301 -1.341 20 0 CAADRP O=C(NC[C@H]1C[C@@H]2C[NH2+]C[C@@H]2O1)[C@@]12C[NH2+]C[C@H]1CCN2 ZINC001219831498 780263954 /nfs/dbraw/zinc/26/39/54/780263954.db2.gz NDJXMINTBQLBOV-MPLKPFFPSA-N 2 0 280.372 -1.569 20 0 CAADRP O=C(CN1CC[NH2+]CC1)NC[C@H]1C[C@@H]2C[NH2+]C[C@@H]2O1 ZINC001219831358 780263966 /nfs/dbraw/zinc/26/39/66/780263966.db2.gz HRRHIMHRQYQKEB-UTUOFQBUSA-N 2 0 268.361 -1.615 20 0 CAADRP O=C(NC[C@]12C[NH2+]C[C@H]1COC2)[C@@H]1C[NH2+]C[C@@H]1O ZINC001219813659 780263971 /nfs/dbraw/zinc/26/39/71/780263971.db2.gz YMXBZXIFYNDFEE-WYFGTUCQSA-N 2 0 255.318 -2.081 20 0 CAADRP O=C(C[C@@H]1COCC[NH2+]1)NC[C@H]1C[C@@H]2C[NH2+]C[C@@H]2O1 ZINC001219831505 780264060 /nfs/dbraw/zinc/26/40/60/780264060.db2.gz NFHRXWFJHUROFI-KKOKHZNYSA-N 2 0 269.345 -1.142 20 0 CAADRP O=C(NC[C@H]1C[C@@H]2C[NH2+]C[C@@H]2O1)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001219831172 780264068 /nfs/dbraw/zinc/26/40/68/780264068.db2.gz ABKOTZQDOPBCPM-XLFUENPSSA-N 3 0 294.399 -1.321 20 0 CAADRP O=C(CNC1CC[NH2+]CC1)NC[C@H]1C[C@@H]2C[NH2+]C[C@@H]2O1 ZINC001219831693 780264111 /nfs/dbraw/zinc/26/41/11/780264111.db2.gz UOJAFKMVXMSMSH-RTXFEEFZSA-N 2 0 282.388 -1.179 20 0 CAADRP O=C(C[C@H]1COCC[NH2+]1)NC[C@H]1C[C@@H]2C[NH2+]C[C@@H]2O1 ZINC001219831506 780264155 /nfs/dbraw/zinc/26/41/55/780264155.db2.gz NFHRXWFJHUROFI-KXNHARMFSA-N 2 0 269.345 -1.142 20 0 CAADRP [NH3+]CCCC[C@H]([NH3+])C(=O)NC[C@H]1C[C@@H]2C[NH2+]C[C@@H]2O1 ZINC001219831732 780264172 /nfs/dbraw/zinc/26/41/72/780264172.db2.gz WDKMXZIGBXNMHT-WYUUTHIRSA-N 3 0 270.377 -1.064 20 0 CAADRP [NH3+][C@H](Cc1cnc[nH]1)C(=O)NC[C@]12C[NH2+]C[C@H]1COC2 ZINC001219813101 780264181 /nfs/dbraw/zinc/26/41/81/780264181.db2.gz OAZHNRRFIVNWQB-NDMJEZRESA-N 2 0 279.344 -1.368 20 0 CAADRP Cn1cncc1C[C@H]([NH3+])C(=O)NC[C@H]1C[C@@H]2C[NH2+]C[C@@H]2O1 ZINC001219831601 780264225 /nfs/dbraw/zinc/26/42/25/780264225.db2.gz QDVVXYSKEQUPRX-XEZLXBQYSA-N 2 0 293.371 -1.217 20 0 CAADRP O=C(NC[C@H]1C[C@@H]2C[NH2+]C[C@@H]2O1)[C@@H]1C[C@H](O)C[NH2+]1 ZINC001219831822 780264285 /nfs/dbraw/zinc/26/42/85/780264285.db2.gz ZGNHRDBYNLMVML-XXFSISAASA-N 2 0 255.318 -1.798 20 0 CAADRP O=C(NC[C@]12C[NH2+]C[C@H]1COC2)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1 ZINC001219813638 780264389 /nfs/dbraw/zinc/26/43/89/780264389.db2.gz YBFUXCJLOKTHAN-GCQYFTOKSA-N 2 0 280.372 -1.712 20 0 CAADRP O=C(NC[C@H]1C[C@@H]2C[NH2+]C[C@@H]2O1)[C@H]1C[NH2+]C[C@H]1O ZINC001219831176 780264458 /nfs/dbraw/zinc/26/44/58/780264458.db2.gz AHAPADJEPUOBFA-NZFPMDFQSA-N 2 0 255.318 -1.940 20 0 CAADRP O=C(NC[C@]12C[NH2+]C[C@H]1COC2)[C@@H]1C[C@H](O)C[NH2+]1 ZINC001219813115 780264528 /nfs/dbraw/zinc/26/45/28/780264528.db2.gz OMHAFKUTWBZIEN-GMOBBJLQSA-N 2 0 255.318 -1.939 20 0 CAADRP N[C@]1(C(=O)NC[C@H]2C[C@@H]3C[NH2+]C[C@@H]3O2)CCC[NH2+]C1 ZINC001219831373 780264727 /nfs/dbraw/zinc/26/47/27/780264727.db2.gz IKQUWLLMIMBJSQ-HNCHTBHHSA-N 2 0 268.361 -1.440 20 0 CAADRP [NH3+][C@H](C(=O)NC[C@H]1C[C@@H]2C[NH2+]C[C@@H]2O1)C1CC[NH2+]CC1 ZINC001219831711 780264938 /nfs/dbraw/zinc/26/49/38/780264938.db2.gz VASQBBBDDDCIEH-NDBYEHHHSA-N 3 0 282.388 -1.194 20 0 CAADRP O=C(NC[C@@H]1CO[C@@]2(C1)C[NH2+]CCOC2)[C@H]1[NH2+]CC[C@@H]1O ZINC001219837712 780265470 /nfs/dbraw/zinc/26/54/70/780265470.db2.gz LHUSOMHRNATLKF-UHXUPSOCSA-N 2 0 299.371 -1.780 20 0 CAADRP O=C(NC[C@@H]1CO[C@@]2(C1)C[NH2+]CCOC2)[C@@H]1C[NH2+]CCN1 ZINC001219837777 780265475 /nfs/dbraw/zinc/26/54/75/780265475.db2.gz LUXJDUQHLWKATL-DYEKYZERSA-N 2 0 298.387 -1.941 20 0 CAADRP [NH3+]C[C@H](O)CC(=O)NC[C@@H]1CO[C@@]2(C1)C[NH2+]CCOC2 ZINC001219835109 780265490 /nfs/dbraw/zinc/26/54/90/780265490.db2.gz WTBCPROEGZBAQX-WZRBSPASSA-N 2 0 287.360 -1.793 20 0 CAADRP O=C(NC[C@@H]1CO[C@]2(C1)C[NH2+]CCOC2)[C@H]1C[C@@H](O)C[NH2+]1 ZINC001219837969 780265520 /nfs/dbraw/zinc/26/55/20/780265520.db2.gz NGZGWFRIBIGBOI-HKUMRIAESA-N 2 0 299.371 -1.780 20 0 CAADRP O=C(NC[C@@H]1CO[C@]2(C1)C[NH2+]CCOC2)[C@H]1[NH2+]CC[C@@H]1O ZINC001219837711 780265571 /nfs/dbraw/zinc/26/55/71/780265571.db2.gz LHUSOMHRNATLKF-OWTLIXCDSA-N 2 0 299.371 -1.780 20 0 CAADRP O=C(NC[C@@H]1CO[C@@]2(C1)C[NH2+]CCOC2)[C@@H]1CC[NH2+]1 ZINC001219834747 780265590 /nfs/dbraw/zinc/26/55/90/780265590.db2.gz SUZZZPRKRNGJOR-MDZLAQPJSA-N 2 0 269.345 -1.140 20 0 CAADRP N[C@@H](CC[NH3+])C(=O)NC[C@@H]1CO[C@@]2(C1)C[NH2+]CCOC2 ZINC001219838590 780265596 /nfs/dbraw/zinc/26/55/96/780265596.db2.gz SCCJRYKSSRCVNQ-MDZLAQPJSA-N 2 0 286.376 -1.826 20 0 CAADRP [NH3+]C1(C(=O)NC[C@H]2CO[C@@]3(C2)C[NH2+]CCOC3)CC1 ZINC001219835111 780266312 /nfs/dbraw/zinc/26/63/12/780266312.db2.gz WTGOQJQQKPOCDG-JQWIXIFHSA-N 2 0 269.345 -1.011 20 0 CAADRP O=C(NC[C@@H]1CO[C@]2(C1)C[NH2+]CCOC2)[C@@H]1CC[NH2+]1 ZINC001219834748 780266364 /nfs/dbraw/zinc/26/63/64/780266364.db2.gz SUZZZPRKRNGJOR-NTZNESFSSA-N 2 0 269.345 -1.140 20 0 CAADRP N[C@]1(C(=O)NC[C@H]2CO[C@]3(C2)C[NH2+]CCOC3)CC[NH2+]C1 ZINC001219836962 780266416 /nfs/dbraw/zinc/26/64/16/780266416.db2.gz GNHFYDWLUFWQQU-IACUBPJLSA-N 2 0 298.387 -1.812 20 0 CAADRP N[C@@H](C[NH3+])C(=O)NC[C@H]1CO[C@]2(C1)C[NH2+]CCOC2 ZINC001219833561 780266459 /nfs/dbraw/zinc/26/64/59/780266459.db2.gz DYRZCUBZMLNUAY-JBLDHEPKSA-N 2 0 272.349 -2.216 20 0 CAADRP [NH3+][C@@H]1CN[C@H](C(=O)NC[C@H]2CO[C@]3(C2)C[NH2+]CCOC3)C1 ZINC001219837063 780266467 /nfs/dbraw/zinc/26/64/67/780266467.db2.gz HCBVEGOOOYRZSM-ZJQBRPOHSA-N 2 0 298.387 -1.813 20 0 CAADRP [NH3+]CCNCC(=O)NC[C@@H]1CO[C@]2(C1)C[NH2+]CCOC2 ZINC001219837771 780266559 /nfs/dbraw/zinc/26/65/59/780266559.db2.gz LSRAGFWSTLSDFJ-DGCLKSJQSA-N 2 0 286.376 -1.954 20 0 CAADRP [NH3+]C1(C(=O)NC[C@@H]2CO[C@]3(C2)C[NH2+]CCOC3)CC1 ZINC001219835113 780266633 /nfs/dbraw/zinc/26/66/33/780266633.db2.gz WTGOQJQQKPOCDG-ZYHUDNBSSA-N 2 0 269.345 -1.011 20 0 CAADRP O=C(NC[C@H]1CO[C@@]2(C1)C[NH2+]CCOC2)[C@@H]1C[C@H](O)C[NH2+]1 ZINC001219837970 780266664 /nfs/dbraw/zinc/26/66/64/780266664.db2.gz NGZGWFRIBIGBOI-MNXVOIDGSA-N 2 0 299.371 -1.780 20 0 CAADRP O=C(NC[C@@H]1CO[C@@]2(C1)C[NH2+]CCOC2)[C@H]1C[C@@H](O)C[NH2+]1 ZINC001219837967 780266681 /nfs/dbraw/zinc/26/66/81/780266681.db2.gz NGZGWFRIBIGBOI-BYNQJWBRSA-N 2 0 299.371 -1.780 20 0 CAADRP O=C(NC[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21)[C@@]12C[NH2+]C[C@H]1CCN2 ZINC001219850195 780267440 /nfs/dbraw/zinc/26/74/40/780267440.db2.gz NNAGNIMWSHVVJJ-GGAZOKNXSA-N 2 0 294.399 -1.321 20 0 CAADRP O=C(N[C@H]1CC[C@@H]2[NH2+]CCO[C@@H]12)[C@@H]1COC2(C[NH2+]C2)CN1 ZINC001219847492 780267681 /nfs/dbraw/zinc/26/76/81/780267681.db2.gz JARZLXLXSMENMT-FIQHERPVSA-N 2 0 296.371 -2.048 20 0 CAADRP [NH3+]CCSC[C@H]([NH3+])C(=O)N[C@H]1CC[C@@H]2[NH2+]CCO[C@@H]12 ZINC001219847897 780267702 /nfs/dbraw/zinc/26/77/02/780267702.db2.gz SWYGOHCUIGDEMK-XWLWVQCSSA-N 3 0 288.417 -1.359 20 0 CAADRP O=C(N[C@H]1CC[C@@H]2[NH2+]CCO[C@@H]12)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001219847717 780267732 /nfs/dbraw/zinc/26/77/32/780267732.db2.gz PVUPMSCNKDFELP-NLRWUALESA-N 3 0 294.399 -1.179 20 0 CAADRP [NH3+]CCC[C@@H]([NH3+])C(=O)NC[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21 ZINC001219850171 780267875 /nfs/dbraw/zinc/26/78/75/780267875.db2.gz MUFYENXNOZSZSV-NNYUYHANSA-N 3 0 270.377 -1.207 20 0 CAADRP O=C(NC[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001219849420 780267942 /nfs/dbraw/zinc/26/79/42/780267942.db2.gz AJNBUGKJNSBAGK-WUHRBBMRSA-N 3 0 294.399 -1.464 20 0 CAADRP [NH3+]CC(=O)N1CCC[C@H]1C(=O)N[C@H]1CC[C@@H]2[NH2+]CCO[C@@H]12 ZINC001219848362 780267972 /nfs/dbraw/zinc/26/79/72/780267972.db2.gz XZHZAMUJTNVALJ-MRBYEJRBSA-N 2 0 296.371 -1.428 20 0 CAADRP [NH3+][C@@H](Cc1cnc[nH]1)C(=O)N[C@H]1CC[C@@H]2[NH2+]CCO[C@@H]12 ZINC001219847787 780268013 /nfs/dbraw/zinc/26/80/13/780268013.db2.gz SFRUUYAKHNQCLL-FIQHERPVSA-N 2 0 279.344 -1.085 20 0 CAADRP O=C(N[C@H]1CC[C@@H]2[NH2+]CCO[C@@H]12)[C@@H]1C[C@H](O)C[NH2+]1 ZINC001219847758 780268152 /nfs/dbraw/zinc/26/81/52/780268152.db2.gz RSTRCHNQJRWDMP-AJBSGBCOSA-N 2 0 255.318 -1.655 20 0 CAADRP N[C@H]1C[NH2+]C[C@@H]1C(=O)N[C@H]1CC[C@@H]2[NH2+]CCO[C@@H]12 ZINC001219847279 780268337 /nfs/dbraw/zinc/26/83/37/780268337.db2.gz BRGDKKIAOMYYOX-AJBSGBCOSA-N 2 0 254.334 -1.831 20 0 CAADRP N[C@H]1C[NH2+]C[C@@H]1C(=O)NC[C@@H]1CO[C@@]2(C1)C[NH2+]CCOC2 ZINC001219839216 780268501 /nfs/dbraw/zinc/26/85/01/780268501.db2.gz YFJIZDCIWIDBHH-UHXUPSOCSA-N 2 0 298.387 -1.956 20 0 CAADRP CC(=O)OC[C@H]([NH3+])C(=O)N[C@H]1CO[C@@H]2C[NH2+]C[C@H]12 ZINC001219854741 780268918 /nfs/dbraw/zinc/26/89/18/780268918.db2.gz SCMDBKGPKSPWNZ-XFWSIPNHSA-N 2 0 257.290 -2.020 20 0 CAADRP O=C(N[C@H]1CO[C@@H]2C[NH2+]C[C@H]12)[C@]12C[NH2+]C[C@H]1CCN2 ZINC001219854489 780268945 /nfs/dbraw/zinc/26/89/45/780268945.db2.gz KCDDTSWZPPGDFU-HMUNZLOLSA-N 2 0 266.345 -1.959 20 0 CAADRP O=C(NC[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21)[C@H]1[NH2+]CC[C@H]1O ZINC001219852297 780269036 /nfs/dbraw/zinc/26/90/36/780269036.db2.gz QDMDSLGZOWHMFL-HGCLJGPKSA-N 2 0 269.345 -1.550 20 0 CAADRP O=C(N[C@H]1CO[C@@H]2C[NH2+]C[C@H]12)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001219854505 780269047 /nfs/dbraw/zinc/26/90/47/780269047.db2.gz KQJDFRVTLAXHJM-MROQNXINSA-N 3 0 294.399 -1.036 20 0 CAADRP N[C@]1(C(=O)NC[C@H]2OC[C@@H]3CC[NH2+]C[C@@H]32)CC[NH2+]C1 ZINC001219851904 780269118 /nfs/dbraw/zinc/26/91/18/780269118.db2.gz HUZGAOVVKVSMBK-MEWQQHAOSA-N 2 0 268.361 -1.582 20 0 CAADRP O=C(N[C@H]1CO[C@@H]2C[NH2+]C[C@H]12)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001219854682 780269131 /nfs/dbraw/zinc/26/91/31/780269131.db2.gz PSLWEYODKKYCST-YGEZULPYSA-N 3 0 280.372 -1.712 20 0 CAADRP O=C(NC[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21)[C@H]1C[NH2+]CCN1 ZINC001219852183 780269162 /nfs/dbraw/zinc/26/91/62/780269162.db2.gz NGESZHVFPAHWNF-NNYUYHANSA-N 2 0 268.361 -1.712 20 0 CAADRP [NH3+][C@H]1CN[C@H](C(=O)NC[C@H]2OC[C@@H]3CC[NH2+]C[C@@H]32)C1 ZINC001219851712 780269321 /nfs/dbraw/zinc/26/93/21/780269321.db2.gz BPCGPYSEXPNRNS-KZZRWZIVSA-N 2 0 268.361 -1.584 20 0 CAADRP [NH3+][C@H](C(=O)N[C@H]1CO[C@@H]2C[NH2+]C[C@H]12)C1CCC(O)CC1 ZINC001219856562 780269392 /nfs/dbraw/zinc/26/93/92/780269392.db2.gz RTGUYYAWETYNJD-XCZAXNGRSA-N 2 0 283.372 -1.032 20 0 CAADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N[C@H]1CO[C@@H]2C[NH2+]C[C@H]12 ZINC001219854850 780269556 /nfs/dbraw/zinc/26/95/56/780269556.db2.gz YFWIZEGNVUQUAZ-NOOOWODRSA-N 3 0 270.377 -1.194 20 0 CAADRP C[S@@](=O)CC[C@H]([NH3+])C(=O)N[C@H]1CO[C@@H]2C[NH2+]C[C@H]12 ZINC001219856229 780269586 /nfs/dbraw/zinc/26/95/86/780269586.db2.gz CPPOFCIGANLXPV-RCCSRFJXSA-N 2 0 275.374 -1.815 20 0 CAADRP CC1(C)[NH2+][C@H](C(=O)N[C@H]2CO[C@@H]3C[NH2+]C[C@H]23)CO1 ZINC001219856581 780269650 /nfs/dbraw/zinc/26/96/50/780269650.db2.gz SLOWUGGBMWDWAJ-XFWSIPNHSA-N 2 0 255.318 -1.186 20 0 CAADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N[C@H]1CO[C@@H]2C[NH2+]C[C@H]12 ZINC001219854487 780269688 /nfs/dbraw/zinc/26/96/88/780269688.db2.gz KBVUNHWZRBAWFA-VPOLOUISSA-N 3 0 256.350 -1.454 20 0 CAADRP O=C(NC[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21)[C@H]1C[NH2+]C[C@H]1O ZINC001219852035 780269708 /nfs/dbraw/zinc/26/97/08/780269708.db2.gz KFIPDWRQQVCBKA-KKJSVHSVSA-N 2 0 269.345 -1.693 20 0 CAADRP NC(=[NH2+])NCCCCC(=O)N[C@H]1CO[C@@H]2C[NH2+]C[C@H]12 ZINC001219856336 780269717 /nfs/dbraw/zinc/26/97/17/780269717.db2.gz IPFVBINEQGZXCU-KXUCPTDWSA-N 2 0 269.349 -1.257 20 0 CAADRP [NH3+]C[C@@H](O)CC(=O)NC[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21 ZINC001219850669 780269721 /nfs/dbraw/zinc/26/97/21/780269721.db2.gz ZJWKSJMMFCSBCJ-XWLWVQCSSA-N 2 0 257.334 -1.563 20 0 CAADRP NC1(C(=O)NC[C@H]2OC[C@@H]3CC[NH2+]C[C@@H]32)CC[NH2+]CC1 ZINC001219852752 780269774 /nfs/dbraw/zinc/26/97/74/780269774.db2.gz YPUJQDBFIXMMEC-SDDRHHMPSA-N 2 0 282.388 -1.192 20 0 CAADRP [NH3+]CCSC[C@H]([NH3+])C(=O)N[C@H]1CO[C@@H]2C[NH2+]C[C@H]12 ZINC001219856594 780269792 /nfs/dbraw/zinc/26/97/92/780269792.db2.gz SXHTYQCLOAHJBE-XFWSIPNHSA-N 3 0 274.390 -1.891 20 0 CAADRP N[C@]1(C(=O)N[C@H]2CO[C@@H]3C[NH2+]C[C@H]23)CCC[NH2+]C1 ZINC001219856177 780269829 /nfs/dbraw/zinc/26/98/29/780269829.db2.gz BFEFRYISNAMMFJ-DTHBNOIPSA-N 2 0 254.334 -1.830 20 0 CAADRP O=C(N[C@H]1CO[C@@H]2C[NH2+]C[C@H]12)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001219854802 780269874 /nfs/dbraw/zinc/26/98/74/780269874.db2.gz WCFGKFPYBZVXQQ-VPOLOUISSA-N 3 0 266.345 -2.102 20 0 CAADRP O=C(C[C@@H]1COCC[NH2+]1)N[C@H]1CO[C@@H]2C[NH2+]C[C@H]12 ZINC001219856488 780269913 /nfs/dbraw/zinc/26/99/13/780269913.db2.gz OQVRSKZSFHMIHX-CHWFTXMASA-N 2 0 255.318 -1.532 20 0 CAADRP [NH3+][C@@H](Cc1cnc[nH]1)C(=O)N[C@H]1CO[C@@H]2C[NH2+]C[C@H]12 ZINC001219854740 780270037 /nfs/dbraw/zinc/27/00/37/780270037.db2.gz SBINAHOXRLNQHN-VPOLOUISSA-N 2 0 265.317 -1.618 20 0 CAADRP O=C(CN1CC[NH2+]CC1)N[C@H]1CO[C@@H]2C[NH2+]C[C@H]12 ZINC001219854642 780270111 /nfs/dbraw/zinc/27/01/11/780270111.db2.gz ODERRGLNMGSOQZ-OUAUKWLOSA-N 2 0 254.334 -2.005 20 0 CAADRP O=C(NC[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21)[C@H]1C[NH2+]C[C@@H]1O ZINC001219852037 780270150 /nfs/dbraw/zinc/27/01/50/780270150.db2.gz KFIPDWRQQVCBKA-UHFZAUJKSA-N 2 0 269.345 -1.693 20 0 CAADRP N[C@@]1(C(=O)NC[C@H]2OC[C@@H]3CC[NH2+]C[C@@H]32)CC[NH2+]C1 ZINC001219851903 780270173 /nfs/dbraw/zinc/27/01/73/780270173.db2.gz HUZGAOVVKVSMBK-KQXIARHKSA-N 2 0 268.361 -1.582 20 0 CAADRP O=C(N[C@H]1CO[C@@H]2C[NH2+]C[C@H]12)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001219854801 780270291 /nfs/dbraw/zinc/27/02/91/780270291.db2.gz WCFGKFPYBZVXQQ-CHWFTXMASA-N 3 0 266.345 -2.102 20 0 CAADRP [NH3+]CCNC(=O)[C@H](Cc1ccccc1)NC(=O)C[NH3+] ZINC001219870459 780270730 /nfs/dbraw/zinc/27/07/30/780270730.db2.gz FNGWQBDPSGPJQM-NSHDSACASA-N 2 0 264.329 -1.253 20 0 CAADRP COC(=O)[C@@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])[C@@H](C)O ZINC001219879678 780270846 /nfs/dbraw/zinc/27/08/46/780270846.db2.gz JOGHOILIJKUSMD-VGMNWLOBSA-N 2 0 261.322 -1.519 20 0 CAADRP [NH3+]CCNC(=O)[C@H]1Cn2nnnc2C12CC[NH2+]CC2 ZINC001219865265 780271129 /nfs/dbraw/zinc/27/11/29/780271129.db2.gz JFDZGXQMBBUKEK-MRVPVSSYSA-N 2 0 265.321 -2.001 20 0 CAADRP COC(=O)[C@@H](NC(=O)[C@H]1C[NH2+]CC12C[NH2+]C2)[C@@H](C)O ZINC001219879369 780271270 /nfs/dbraw/zinc/27/12/70/780271270.db2.gz FFWYPDSNFGRCRG-HLTSFMKQSA-N 2 0 271.317 -2.166 20 0 CAADRP C[C@H]([NH3+])C(=O)N[C@H](CCC(=O)NCC[NH3+])C(N)=O ZINC001219872736 780271292 /nfs/dbraw/zinc/27/12/92/780271292.db2.gz UPYMXXVEAHGVPV-NKWVEPMBSA-N 2 0 259.310 -2.841 20 0 CAADRP C[N@@H+]1C[C@@H](C(=O)NCC[NH3+])OC2(CC[NH2+]CC2)C1 ZINC001219867683 780271600 /nfs/dbraw/zinc/27/16/00/780271600.db2.gz NTPFFJPRJQOCGU-JTQLQIEISA-N 3 0 256.350 -1.486 20 0 CAADRP [NH3+]CCNC(=O)c1cnc(N2CC[NH2+]CC2)cn1 ZINC001219874666 780271636 /nfs/dbraw/zinc/27/16/36/780271636.db2.gz XHYWIUYGYSPXEW-UHFFFAOYSA-N 2 0 250.306 -1.425 20 0 CAADRP [NH3+]CCNC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCC[NH2+]1 ZINC001219869009 780271649 /nfs/dbraw/zinc/27/16/49/780271649.db2.gz VAGFIVBIYAQAOK-UWVGGRQHSA-N 2 0 254.334 -1.196 20 0 CAADRP C[C@H]([NH3+])C(=O)N1[C@H](C(=O)NCC[NH3+])COC1(C)C ZINC001219872794 780271913 /nfs/dbraw/zinc/27/19/13/780271913.db2.gz XMMNGVPQSHEVGU-YUMQZZPRSA-N 2 0 258.322 -1.628 20 0 CAADRP COC(=O)[C@@H](NC(=O)C[C@@H]([NH3+])CCCC[NH3+])[C@@H](C)O ZINC001219881396 780272715 /nfs/dbraw/zinc/27/27/15/780272715.db2.gz WWUYPEUTAFGDIY-YWVKMMECSA-N 2 0 275.349 -1.129 20 0 CAADRP COC(=O)[C@@H](NC(=O)[C@@H]([NH3+])C1CC[NH2+]CC1)[C@@H](C)O ZINC001219880747 780272726 /nfs/dbraw/zinc/27/27/26/780272726.db2.gz HZPPQPNDPYWATO-JEZHCXPESA-N 2 0 273.333 -1.648 20 0 CAADRP CCOC(=O)CC(=N)NC(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001219883216 780273240 /nfs/dbraw/zinc/27/32/40/780273240.db2.gz RTOARAKCZONTSP-QMMMGPOBSA-N 2 0 268.317 -1.158 20 0 CAADRP C[C@@H](C[NH+](C)C)NC(=O)[C@@H]1COC2(C[NH2+]C2)CN1 ZINC001219915787 780273440 /nfs/dbraw/zinc/27/34/40/780273440.db2.gz AZBMDROTPZRSPG-UWVGGRQHSA-N 2 0 256.350 -1.617 20 0 CAADRP CCOC(=O)CC(=N)NC(=O)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001219883215 780273449 /nfs/dbraw/zinc/27/34/49/780273449.db2.gz RTOARAKCZONTSP-MRVPVSSYSA-N 2 0 268.317 -1.158 20 0 CAADRP CC(=O)N1C[C@@H]2C[C@]2(NC(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)C1 ZINC001219890685 780274317 /nfs/dbraw/zinc/27/43/17/780274317.db2.gz JSODJAJIFFDXJC-MJVIPROJSA-N 2 0 278.356 -1.468 20 0 CAADRP C[C@H](C[NH+](C)C)NC(=O)[C@H](C)NC(=O)[C@@H]([NH3+])CO ZINC001219916417 780274402 /nfs/dbraw/zinc/27/44/02/780274402.db2.gz VJRJNFBLAFQJFZ-VGMNWLOBSA-N 2 0 260.338 -2.123 20 0 CAADRP CC(=O)N1C[C@H]2C[C@@]2(NC(=O)[C@@H]([NH3+])CSCC[NH3+])C1 ZINC001219890931 780274475 /nfs/dbraw/zinc/27/44/75/780274475.db2.gz MJHZZFQPVODAOV-JFGNBEQYSA-N 2 0 286.401 -1.257 20 0 CAADRP CC(=O)N1C[C@@H]2C[C@]2(NC(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)C1 ZINC001219890284 780274546 /nfs/dbraw/zinc/27/45/46/780274546.db2.gz GMMRAEGOQXWEKK-MXYBEHONSA-N 2 0 292.383 -1.078 20 0 CAADRP CC(=O)N1C[C@H]2C[C@@]2(NC(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)C1 ZINC001219890285 780274603 /nfs/dbraw/zinc/27/46/03/780274603.db2.gz GMMRAEGOQXWEKK-QHSBEEBCSA-N 2 0 292.383 -1.078 20 0 CAADRP O=C(NCC[NH2+]CCO)[C@@H]1COC2(C[NH2+]C2)CN1 ZINC001219918414 780276677 /nfs/dbraw/zinc/27/66/77/780276677.db2.gz LFWVOHPUIWUAPY-VIFPVBQESA-N 2 0 258.322 -2.985 20 0 CAADRP N[C@@H](C[NH3+])c1ccc(C(=O)NCC[NH2+]CCO)cc1 ZINC001219919087 780276843 /nfs/dbraw/zinc/27/68/43/780276843.db2.gz XCPZMGNYIIWWAQ-LBPRGKRZSA-N 2 0 266.345 -1.043 20 0 CAADRP O=C(NCC[NH2+]CCO)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001219918383 780276981 /nfs/dbraw/zinc/27/69/81/780276981.db2.gz KBVYWGQNEYNLNL-NSHDSACASA-N 3 0 270.377 -1.441 20 0 CAADRP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C[NH+](C)C ZINC001219915824 780277056 /nfs/dbraw/zinc/27/70/56/780277056.db2.gz BVVCVCGYSQXMEU-CIUDSAMLSA-N 2 0 287.364 -2.240 20 0 CAADRP CS(=O)(=O)N(CC[NH3+])CC(=O)NCC[NH2+]CCO ZINC001219919115 780277066 /nfs/dbraw/zinc/27/70/66/780277066.db2.gz YJDDLAGSQVOOQS-UHFFFAOYSA-N 2 0 282.366 -3.095 20 0 CAADRP O=C(NCC[NH2+]CCO)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001219918258 780277102 /nfs/dbraw/zinc/27/71/02/780277102.db2.gz IVMYMMWFVVOCQT-ZYHUDNBSSA-N 3 0 256.350 -2.116 20 0 CAADRP O=C(NCC[NH2+]CCO)[C@H]1COC2(C[NH2+]C2)CN1 ZINC001219918413 780277127 /nfs/dbraw/zinc/27/71/27/780277127.db2.gz LFWVOHPUIWUAPY-SECBINFHSA-N 2 0 258.322 -2.985 20 0 CAADRP CC(C)C[C@H](NC(=O)C[NH3+])C(=O)NCC[NH2+]CCO ZINC001219919116 780277267 /nfs/dbraw/zinc/27/72/67/780277267.db2.gz YJTJZVLMCXDNPV-JTQLQIEISA-N 2 0 274.365 -1.826 20 0 CAADRP N[C@H](C[NH3+])c1ccc(C(=O)NCC[NH2+]CCO)cc1 ZINC001219919086 780277372 /nfs/dbraw/zinc/27/73/72/780277372.db2.gz XCPZMGNYIIWWAQ-GFCCVEGCSA-N 2 0 266.345 -1.043 20 0 CAADRP C[C@H](C[NH+](C)C)NC(=O)[C@H]([NH3+])CCCNC(N)=O ZINC001219915962 780277538 /nfs/dbraw/zinc/27/75/38/780277538.db2.gz GASNNBMYARQNOG-RKDXNWHRSA-N 2 0 259.354 -1.172 20 0 CAADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)NCC[NH2+]CCO ZINC001219918215 780277665 /nfs/dbraw/zinc/27/76/65/780277665.db2.gz HVUDJZWCRONGQK-LLVKDONJSA-N 3 0 273.381 -2.565 20 0 CAADRP O=C(N[C@@H]1C=CS(=O)(=O)C1)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001219945149 780278754 /nfs/dbraw/zinc/27/87/54/780278754.db2.gz BPIVRUWQDLJSAJ-RKDXNWHRSA-N 2 0 271.342 -1.778 20 0 CAADRP CS(=O)(=O)N(C(=O)[C@@H](N)C[NH3+])c1ccc(C[NH3+])cc1 ZINC001219939159 780279997 /nfs/dbraw/zinc/27/99/97/780279997.db2.gz UAHUSMSLZATOPC-JTQLQIEISA-N 2 0 286.357 -1.276 20 0 CAADRP [NH3+]CCSC[C@H]([NH3+])C(=O)NC[C@H]1CCC(=O)N1 ZINC001219959173 780280899 /nfs/dbraw/zinc/28/08/99/780280899.db2.gz LGKDQOJWOVUBPG-SFYZADRCSA-N 2 0 260.363 -1.600 20 0 CAADRP O=C(NC[C@H]1CCC(=O)N1)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001219959496 780281312 /nfs/dbraw/zinc/28/13/12/780281312.db2.gz XCRATLWPPQTRAC-RKDXNWHRSA-N 2 0 252.318 -1.810 20 0 CAADRP [NH3+][C@H](C(=O)NC[C@H]1CCC(=O)N1)C1CC[NH2+]CC1 ZINC001219959547 780282208 /nfs/dbraw/zinc/28/22/08/780282208.db2.gz YMQHRUWVMLLVHW-KOLCDFICSA-N 2 0 254.334 -1.292 20 0 CAADRP CNS(=O)(=O)CCNC(=O)[C@@H]([NH3+])CCCC[NH+](C)C ZINC001219961548 780282366 /nfs/dbraw/zinc/28/23/66/780282366.db2.gz OFJLVWYLNHCITB-JTQLQIEISA-N 2 0 294.421 -1.289 20 0 CAADRP CNS(=O)(=O)CCNC(=O)[C@H](CCCC[NH3+])[NH2+]C ZINC001219961783 780282524 /nfs/dbraw/zinc/28/25/24/780282524.db2.gz WJNWBRVTYOJIPS-VIFPVBQESA-N 2 0 280.394 -1.631 20 0 CAADRP [NH3+][C@@H](C(=O)NC[C@@H]1CCC(=O)N1)C1CC[NH2+]CC1 ZINC001219959546 780282649 /nfs/dbraw/zinc/28/26/49/780282649.db2.gz YMQHRUWVMLLVHW-GXSJLCMTSA-N 2 0 254.334 -1.292 20 0 CAADRP COC(=O)[C@@H]1C[C@@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])CN1 ZINC001219965087 780282795 /nfs/dbraw/zinc/28/27/95/780282795.db2.gz BFJRGJBOADBHNM-UTLUCORTSA-N 2 0 272.349 -1.538 20 0 CAADRP CNS(=O)(=O)CCNC(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001219961426 780283355 /nfs/dbraw/zinc/28/33/55/780283355.db2.gz KGPZVLYZBNHOCR-QMMMGPOBSA-N 2 0 266.367 -1.892 20 0 CAADRP CNS(=O)(=O)CCNC(=O)[C@@H]([NH3+])CCC[NH3+] ZINC001219960980 780283477 /nfs/dbraw/zinc/28/34/77/780283477.db2.gz DOZSDRJGODFPLP-ZETCQYMHSA-N 2 0 252.340 -2.282 20 0 CAADRP COC(=O)[C@@H]1C[C@@H](NC(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)CN1 ZINC001219965417 780283539 /nfs/dbraw/zinc/28/35/39/780283539.db2.gz MRCMCPJTLIDTAL-NJBDSQKTSA-N 2 0 296.371 -1.795 20 0 CAADRP O=C(NCCCc1c[nH][nH]c1=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001219967719 780283909 /nfs/dbraw/zinc/28/39/09/780283909.db2.gz HFZACMSTPQCRSY-JTNHKYCSSA-N 2 0 293.371 -1.186 20 0 CAADRP O=C(NCCCc1c[nH][nH]c1=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001219967720 780284030 /nfs/dbraw/zinc/28/40/30/780284030.db2.gz HFZACMSTPQCRSY-MISXGVKJSA-N 2 0 293.371 -1.186 20 0 CAADRP COC(=O)[C@@H]1C[C@@H](NC(=O)[C@@H]([NH3+])CSCC[NH3+])CN1 ZINC001219967601 780284062 /nfs/dbraw/zinc/28/40/62/780284062.db2.gz BQCJJNKSPQNWSY-VGMNWLOBSA-N 2 0 290.389 -1.975 20 0 CAADRP [NH3+][C@@H](C(=O)NCCCc1c[nH][nH]c1=O)C1CC[NH2+]CC1 ZINC001219969490 780284579 /nfs/dbraw/zinc/28/45/79/780284579.db2.gz BTFNGQIENUOPDC-GHMZBOCLSA-N 2 0 281.360 -1.059 20 0 CAADRP O=C(NCCCc1c[nH][nH]c1=O)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001219968104 780284654 /nfs/dbraw/zinc/28/46/54/780284654.db2.gz WAXZVAUMTSVCFQ-ZJUUUORDSA-N 2 0 279.344 -1.576 20 0 CAADRP O=C(NCCCc1c[nH][nH]c1=O)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001219968101 780285194 /nfs/dbraw/zinc/28/51/94/780285194.db2.gz WAXZVAUMTSVCFQ-NXEZZACHSA-N 2 0 279.344 -1.576 20 0 CAADRP COC(=O)C1(NC(=O)[C@@H]2C[NH2+]CCN2)CC[NH2+]CC1 ZINC001220001709 780287164 /nfs/dbraw/zinc/28/71/64/780287164.db2.gz VZZJGILDCMRHNW-VIFPVBQESA-N 2 0 270.333 -2.041 20 0 CAADRP COC(=O)C1(NC(=O)[C@]2(N)CCC[NH2+]C2)CC[NH2+]CC1 ZINC001220001239 780287171 /nfs/dbraw/zinc/28/71/71/780287171.db2.gz MPIFHXDZMASQHT-LBPRGKRZSA-N 2 0 284.360 -1.521 20 0 CAADRP COC(=O)C1(NC(=O)C[C@@H]2COCC[NH2+]2)CC[NH2+]CC1 ZINC001220001234 780287232 /nfs/dbraw/zinc/28/72/32/780287232.db2.gz MNWKOMHTFWEEHK-SNVBAGLBSA-N 2 0 285.344 -1.224 20 0 CAADRP COC(=O)C1(NC(=O)[C@H]2C[NH2+]C[C@@H]2O)CC[NH2+]CC1 ZINC001220001600 780287336 /nfs/dbraw/zinc/28/73/36/780287336.db2.gz SVRIUCSSRZOIRX-IUCAKERBSA-N 2 0 271.317 -2.022 20 0 CAADRP COC(=O)C1(NC(=O)[C@]23C[NH2+]C[C@@H]2CCN3)CC[NH2+]CC1 ZINC001219999212 780287395 /nfs/dbraw/zinc/28/73/95/780287395.db2.gz NKIHINRHVDKDRA-HZMBPMFUSA-N 2 0 296.371 -1.651 20 0 CAADRP COC(=O)C1(NC(=O)[C@H]2C[NH2+]CCN2)CC[NH2+]CC1 ZINC001220001708 780287447 /nfs/dbraw/zinc/28/74/47/780287447.db2.gz VZZJGILDCMRHNW-SECBINFHSA-N 2 0 270.333 -2.041 20 0 CAADRP COC(=O)C1(NC(=O)[C@@H]([NH3+])CCCC[NH3+])CC[NH2+]CC1 ZINC001220001388 780287626 /nfs/dbraw/zinc/28/76/26/780287626.db2.gz QGWPPLRJUKNBGZ-JTQLQIEISA-N 3 0 286.376 -1.146 20 0 CAADRP COC(=O)C1(NC(=O)C[NH2+]CCC[NH3+])CC[NH2+]CC1 ZINC001220001242 780287847 /nfs/dbraw/zinc/28/78/47/780287847.db2.gz MYAWIGUWLGURSR-UHFFFAOYSA-N 3 0 272.349 -1.664 20 0 CAADRP COC(=O)C1(NC(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)CC[NH2+]CC1 ZINC001220001280 780287903 /nfs/dbraw/zinc/28/79/03/780287903.db2.gz OMYTYDFSAFISSS-MYJAWHEDSA-N 2 0 267.329 -1.137 20 0 CAADRP COC(=O)C1(NC(=O)[C@H]([NH3+])Cc2cnc[nH]2)CC[NH2+]CC1 ZINC001219998838 780287913 /nfs/dbraw/zinc/28/79/13/780287913.db2.gz CRULLMDIGZXNKA-SNVBAGLBSA-N 2 0 295.343 -1.309 20 0 CAADRP COC(=O)C1(NC(=O)[C@H]2C[NH2+]C[C@@H]2N)CC[NH2+]CC1 ZINC001220000992 780287949 /nfs/dbraw/zinc/28/79/49/780287949.db2.gz BRBROPMXEGJUPS-IUCAKERBSA-N 2 0 270.333 -2.056 20 0 CAADRP COC(=O)C1(NC(=O)CN2CC[NH2+]CC2)CC[NH2+]CC1 ZINC001220000968 780288023 /nfs/dbraw/zinc/28/80/23/780288023.db2.gz AEWPKSPZZKNZIW-UHFFFAOYSA-N 2 0 284.360 -1.697 20 0 CAADRP COC(=O)C1(NC(=O)[C@@H](N)CC[NH3+])CC[NH2+]CC1 ZINC001220001361 780288062 /nfs/dbraw/zinc/28/80/62/780288062.db2.gz PYDKUOMVUMZMTN-QMMMGPOBSA-N 2 0 258.322 -1.926 20 0 CAADRP COC(=O)C1(NC(=O)[C@@]2(N)CC[NH2+]C2)CC[NH2+]CC1 ZINC001220001858 780288086 /nfs/dbraw/zinc/28/80/86/780288086.db2.gz YQAHUVSPODYWMM-LLVKDONJSA-N 2 0 270.333 -1.911 20 0 CAADRP COC(=O)C1(NC(=O)C2(N)CC[NH2+]CC2)CC[NH2+]CC1 ZINC001220001207 780288099 /nfs/dbraw/zinc/28/80/99/780288099.db2.gz LLZINGIHGGPEJJ-UHFFFAOYSA-N 2 0 284.360 -1.521 20 0 CAADRP COC(=O)C1(NC(=O)[C@@]23C[NH2+]C[C@H]2CCN3)CC[NH2+]CC1 ZINC001219999214 780288113 /nfs/dbraw/zinc/28/81/13/780288113.db2.gz NKIHINRHVDKDRA-QMTHXVAHSA-N 2 0 296.371 -1.651 20 0 CAADRP CN1C[C@@H](NC(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)CCC1=O ZINC001220006923 780288866 /nfs/dbraw/zinc/28/88/66/780288866.db2.gz FHQJICMUZPSLQX-RYUDHWBXSA-N 2 0 297.403 -1.526 20 0 CAADRP CN1C[C@H](NC(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)CCC1=O ZINC001220006924 780289271 /nfs/dbraw/zinc/28/92/71/780289271.db2.gz FHQJICMUZPSLQX-VXGBXAGGSA-N 2 0 297.403 -1.526 20 0 CAADRP CN1C[C@@H](NC(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)CCC1=O ZINC001220007596 780289284 /nfs/dbraw/zinc/28/92/84/780289284.db2.gz QGZUFQZCQXXJQU-UHIISALHSA-N 2 0 280.372 -1.078 20 0 CAADRP CN1C[C@H](NC(=O)[C@@H]([NH3+])CSCC[NH3+])CCC1=O ZINC001220006707 780289925 /nfs/dbraw/zinc/28/99/25/780289925.db2.gz AEOICXWQMUXDLC-BDAKNGLRSA-N 2 0 274.390 -1.257 20 0 CAADRP CN1C[C@@H](NC(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)CCC1=O ZINC001220006922 780290023 /nfs/dbraw/zinc/29/00/23/780290023.db2.gz FHQJICMUZPSLQX-NWDGAFQWSA-N 2 0 297.403 -1.526 20 0 CAADRP N=c1cc(C[NH3+])ncn1C(=O)[C@]1(N)CCC[NH2+]C1 ZINC001220020369 780291180 /nfs/dbraw/zinc/29/11/80/780291180.db2.gz GMJKHKMPVYICDX-NSHDSACASA-N 2 0 250.306 -1.458 20 0 CAADRP CCOC(=O)c1nnc(CNC(=O)[C@@H]([NH3+])CCC[NH3+])o1 ZINC001220011394 780291469 /nfs/dbraw/zinc/29/14/69/780291469.db2.gz WEPILDHQRNSXRS-ZETCQYMHSA-N 2 0 285.304 -1.071 20 0 CAADRP C[S@@](=O)CC[C@H]([NH3+])C(=O)n1cnc(C[NH3+])cc1=N ZINC001220020211 780291975 /nfs/dbraw/zinc/29/19/75/780291975.db2.gz ASLBLHQWZIDCKN-DCXZOGHSSA-N 2 0 271.346 -1.443 20 0 CAADRP N=c1cc(C[NH3+])ncn1C(=O)[C@H]([NH3+])CCCNC(N)=O ZINC001220020348 780292006 /nfs/dbraw/zinc/29/20/06/780292006.db2.gz FTDORDHIOJUGML-MRVPVSSYSA-N 2 0 281.320 -1.763 20 0 CAADRP N=c1cc(C[NH3+])ncn1C(=O)C[C@@H]1COCC[NH2+]1 ZINC001220020444 780292063 /nfs/dbraw/zinc/29/20/63/780292063.db2.gz IMHXKKRRUGOMCN-SECBINFHSA-N 2 0 251.290 -1.160 20 0 CAADRP N=c1cc(C[NH3+])ncn1C(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001220020235 780292114 /nfs/dbraw/zinc/29/21/14/780292114.db2.gz BPXYZVYILLMOMP-LLVKDONJSA-N 3 0 293.375 -1.788 20 0 CAADRP CC(C)[C@@](C)(NC(=O)[C@H]1C[NH2+]CC12C[NH2+]C2)C(N)=O ZINC001220023243 780292447 /nfs/dbraw/zinc/29/24/47/780292447.db2.gz SGIUXSRLWXDGLX-BXKDBHETSA-N 2 0 268.361 -1.188 20 0 CAADRP CC(C)[C@](C)(NC(=O)[C@H]1C[NH2+]CC12C[NH2+]C2)C(N)=O ZINC001220023246 780292552 /nfs/dbraw/zinc/29/25/52/780292552.db2.gz SGIUXSRLWXDGLX-SKDRFNHKSA-N 2 0 268.361 -1.188 20 0 CAADRP N=c1cc(C[NH3+])ncn1C(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001220020576 780292563 /nfs/dbraw/zinc/29/25/63/780292563.db2.gz NOOPFMOJDLGOPV-NOZJJQNGSA-N 3 0 276.344 -1.339 20 0 CAADRP N=c1cc(C[NH3+])ncn1C(=O)[C@@]12C[NH2+]C[C@H]1CCN2 ZINC001220020673 780292575 /nfs/dbraw/zinc/29/25/75/780292575.db2.gz RDWCSJZLWLTORC-PRHODGIISA-N 2 0 262.317 -1.587 20 0 CAADRP CC(C)C[C@H](NC(=O)C[NH3+])C(=O)n1cnc(C[NH3+])cc1=N ZINC001220020910 780292578 /nfs/dbraw/zinc/29/25/78/780292578.db2.gz ZNYLPGDNZDRPCI-JTQLQIEISA-N 2 0 294.359 -1.049 20 0 CAADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)NC1CC(=O)C1 ZINC001220020741 780292769 /nfs/dbraw/zinc/29/27/69/780292769.db2.gz UBRSSAQAPHMNEF-NSHDSACASA-N 2 0 254.334 -1.416 20 0 CAADRP Cn1cncc1C[C@H]([NH3+])C(=O)n1cnc(C[NH3+])cc1=N ZINC001220020905 780292973 /nfs/dbraw/zinc/29/29/73/780292973.db2.gz ZKQCYFWIJUYZRA-JTQLQIEISA-N 2 0 275.316 -1.235 20 0 CAADRP O=C(N[C@@H]1CCC(=O)NC1=O)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001220027752 780293441 /nfs/dbraw/zinc/29/34/41/780293441.db2.gz CYFDAMHBDWULIT-NXEZZACHSA-N 2 0 294.355 -1.218 20 0 CAADRP N=c1cc(C[NH3+])ncn1C(=O)[C@@H]1COC2(C[NH2+]C2)CN1 ZINC001220020645 780293487 /nfs/dbraw/zinc/29/34/87/780293487.db2.gz QCXYBPIGZCYWJL-VIFPVBQESA-N 2 0 278.316 -2.208 20 0 CAADRP [NH3+][C@@H](C(=O)N[C@@H]1CCC(=O)NC1=O)C1CC[NH2+]CC1 ZINC001220030315 780294026 /nfs/dbraw/zinc/29/40/26/780294026.db2.gz BUDOPLGVLSTHBT-PSASIEDQSA-N 2 0 268.317 -1.765 20 0 CAADRP C[NH+](C)CCCC[C@H]([NH3+])C(=O)N[C@H]1CCC(=O)NC1=O ZINC001220028630 780294295 /nfs/dbraw/zinc/29/42/95/780294295.db2.gz ZSMZCHFTUFLHPC-UWVGGRQHSA-N 2 0 284.360 -1.033 20 0 CAADRP [NH3+]CCSC[C@H]([NH3+])C(=O)N[C@H]1CCC(=O)NC1=O ZINC001220030340 780294626 /nfs/dbraw/zinc/29/46/26/780294626.db2.gz CPZCMYGRTGYDHP-BQBZGAKWSA-N 2 0 274.346 -2.073 20 0 CAADRP Cc1ncc(C[NH3+])c(=N)n1C(=O)[C@@H]1C[NH2+]CCN1 ZINC001220043127 780296178 /nfs/dbraw/zinc/29/61/78/780296178.db2.gz GBDZYOUXBZABAE-VIFPVBQESA-N 2 0 250.306 -1.669 20 0 CAADRP Cc1ncc(C[NH3+])c(=N)n1C(=O)C1(N)CC[NH2+]CC1 ZINC001220043126 780296349 /nfs/dbraw/zinc/29/63/49/780296349.db2.gz GBDSJPDIPJQFJV-UHFFFAOYSA-N 2 0 264.333 -1.149 20 0 CAADRP CC(C)(CNC(=O)[C@H]1C[NH2+]CC12C[NH2+]C2)C(N)=O ZINC001220034378 780296754 /nfs/dbraw/zinc/29/67/54/780296754.db2.gz XSJNBCZKXZWXRN-MRVPVSSYSA-N 2 0 254.334 -1.577 20 0 CAADRP C[NH2+]CCNC(=O)[C@H]1CNC(=O)C12CC[NH2+]CC2 ZINC001220051100 780297449 /nfs/dbraw/zinc/29/74/49/780297449.db2.gz IWKCTEQPAQYTDO-SECBINFHSA-N 2 0 254.334 -1.562 20 0 CAADRP Cc1ncc(C[NH3+])c(=N)n1C(=O)[C@@]12C[NH2+]C[C@@H]1CCN2 ZINC001220043489 780297724 /nfs/dbraw/zinc/29/77/24/780297724.db2.gz UNJASMKMZFIWCY-GXFFZTMASA-N 2 0 276.344 -1.279 20 0 CAADRP Cc1ncc(C[NH3+])c(=N)n1C(=O)[C@]1(N)CC[NH2+]C1 ZINC001220043552 780297779 /nfs/dbraw/zinc/29/77/79/780297779.db2.gz WGYARXATGJKMNY-NSHDSACASA-N 2 0 250.306 -1.539 20 0 CAADRP Cc1ncc(C[NH3+])c(=N)n1C(=O)[C@]1(N)CCC[NH2+]C1 ZINC001220043281 780297826 /nfs/dbraw/zinc/29/78/26/780297826.db2.gz MAUVSAQBLRAMEB-LBPRGKRZSA-N 2 0 264.333 -1.149 20 0 CAADRP C[NH2+]CCNC(=O)[C@@H]1Cn2cnnc2C12CC[NH2+]CC2 ZINC001220051322 780297886 /nfs/dbraw/zinc/29/78/86/780297886.db2.gz UYYHMBVDCFPBOV-JTQLQIEISA-N 2 0 278.360 -1.135 20 0 CAADRP Cc1ncc(C[NH3+])c(=N)n1C(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220043215 780297979 /nfs/dbraw/zinc/29/79/79/780297979.db2.gz JNNHQHJVHZTCDY-JTQLQIEISA-N 3 0 276.344 -1.421 20 0 CAADRP N=c1cc(C[NH3+])ccn1C(=O)[C@H]([NH3+])CCCNC(N)=O ZINC001220045196 780298043 /nfs/dbraw/zinc/29/80/43/780298043.db2.gz POLVHJZOKUIRCE-SECBINFHSA-N 2 0 280.332 -1.158 20 0 CAADRP Cc1ncc(C[NH3+])c(=N)n1C(=O)[C@H]([NH3+])CCCNC(N)=O ZINC001220043433 780298071 /nfs/dbraw/zinc/29/80/71/780298071.db2.gz REQYWQMKVPDCBY-SECBINFHSA-N 2 0 295.347 -1.454 20 0 CAADRP Cc1ncc(C[NH3+])c(=N)n1C(=O)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220043216 780298109 /nfs/dbraw/zinc/29/81/09/780298109.db2.gz JNNHQHJVHZTCDY-SNVBAGLBSA-N 3 0 276.344 -1.421 20 0 CAADRP C[NH2+]CCNC(=O)[C@@H]1CNC(=O)C12CC[NH2+]CC2 ZINC001220051101 780298153 /nfs/dbraw/zinc/29/81/53/780298153.db2.gz IWKCTEQPAQYTDO-VIFPVBQESA-N 2 0 254.334 -1.562 20 0 CAADRP C[NH2+]CCNC(=O)[C@@H]1C[N@H+](C)CC2(CC[NH2+]CC2)O1 ZINC001220052762 780299122 /nfs/dbraw/zinc/29/91/22/780299122.db2.gz AQRSPKBLGNELJW-NSHDSACASA-N 3 0 270.377 -1.225 20 0 CAADRP C[NH2+]CCNC(=O)CC[C@@H](NC(=O)[C@H](C)[NH3+])C(N)=O ZINC001220055905 780299496 /nfs/dbraw/zinc/29/94/96/780299496.db2.gz HBXZDKQXMWJBDA-JGVFFNPUSA-N 2 0 273.337 -2.581 20 0 CAADRP C[NH2+]CCNC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+] ZINC001220055951 780299732 /nfs/dbraw/zinc/29/97/32/780299732.db2.gz JNQPYDCCRHEFDX-BQBZGAKWSA-N 2 0 259.310 -2.971 20 0 CAADRP C[NH2+]CCNC(=O)[C@H]1C[NH2+]CC12CCS(=O)(=O)CC2 ZINC001220053179 780299781 /nfs/dbraw/zinc/29/97/81/780299781.db2.gz XSBQBFWAFRHMLV-SNVBAGLBSA-N 2 0 289.401 -1.264 20 0 CAADRP C[NH2+]CCCCNC(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001220079366 780300762 /nfs/dbraw/zinc/30/07/62/780300762.db2.gz INNLKKHCGZXTFQ-LBPRGKRZSA-N 3 0 271.409 -1.147 20 0 CAADRP N=C(NC(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2)SCC[NH3+] ZINC001220106710 780300842 /nfs/dbraw/zinc/30/08/42/780300842.db2.gz YXMLNMGALCTAAJ-ZETCQYMHSA-N 3 0 257.363 -1.462 20 0 CAADRP NC(=[NH2+])N(CCCC[NH3+])C(=O)[C@@H]1CCCN1C(=O)C[NH3+] ZINC001220103125 780302200 /nfs/dbraw/zinc/30/22/00/780302200.db2.gz HJCHOKMUDBIWLU-VIFPVBQESA-N 3 0 284.364 -1.603 20 0 CAADRP CC(=O)OC[C@H](N)C(=O)N(CCCC[NH3+])C(N)=[NH2+] ZINC001220101629 780302246 /nfs/dbraw/zinc/30/22/46/780302246.db2.gz VWQFDNCNSLLCSA-QMMMGPOBSA-N 2 0 259.310 -1.662 20 0 CAADRP Cn1cncc1C[C@H](N)C(=O)N(CCCC[NH3+])C(N)=[NH2+] ZINC001220101508 780302362 /nfs/dbraw/zinc/30/23/62/780302362.db2.gz QNPMTYKMYBWMKF-JTQLQIEISA-N 2 0 281.364 -1.249 20 0 CAADRP NC(=[NH2+])N(CCCC[NH3+])C(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1 ZINC001220103223 780302406 /nfs/dbraw/zinc/30/24/06/780302406.db2.gz KTJKYDRVUHPFTE-LPEHRKFASA-N 3 0 268.365 -1.603 20 0 CAADRP NC(=[NH2+])N(CCCC[NH3+])C(=O)CNC1CC[NH2+]CC1 ZINC001220101232 780302413 /nfs/dbraw/zinc/30/24/13/780302413.db2.gz DXWBOSUNGVGJBO-UHFFFAOYSA-N 3 0 270.381 -1.211 20 0 CAADRP C[C@@H](O)[C@H]1C(=O)N[C@@H]1[C@H](C)C(=O)N(CCCC[NH3+])C(N)=[NH2+] ZINC001220103096 780302457 /nfs/dbraw/zinc/30/24/57/780302457.db2.gz GILKNXJSYGNGDE-SGIHWFKDSA-N 2 0 299.375 -1.421 20 0 CAADRP NC(=[NH2+])N(CCCC[NH3+])C(=O)C1(N)CC[NH2+]CC1 ZINC001220102995 780302490 /nfs/dbraw/zinc/30/24/90/780302490.db2.gz BQCSSIOJNYFGSK-UHFFFAOYSA-N 3 0 256.354 -1.472 20 0 CAADRP COC(=O)[C@@H](N)CC(=O)N(CCCC[NH3+])C(N)=[NH2+] ZINC001220103607 780302546 /nfs/dbraw/zinc/30/25/46/780302546.db2.gz YVJPDZJFLHHREJ-ZETCQYMHSA-N 2 0 259.310 -1.662 20 0 CAADRP NC(=[NH2+])N(CCCC[NH3+])C(=O)[C@@]1(N)CCC[NH2+]C1 ZINC001220103568 780302615 /nfs/dbraw/zinc/30/26/15/780302615.db2.gz WXSWRSMIEBICTG-LLVKDONJSA-N 3 0 256.354 -1.472 20 0 CAADRP NC(=[NH2+])N(CCCC[NH3+])C(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001220103367 780302682 /nfs/dbraw/zinc/30/26/82/780302682.db2.gz PPVVTOLZWOVHHI-ZWNOBZJWSA-N 4 0 282.392 -1.354 20 0 CAADRP NC(=[NH2+])N(CCCC[NH3+])C(=O)[C@]12C[NH2+]C[C@@H]1CCN2 ZINC001220101657 780303017 /nfs/dbraw/zinc/30/30/17/780303017.db2.gz WQYUAVMSRUXJPD-CABZTGNLSA-N 3 0 268.365 -1.601 20 0 CAADRP NC(=[NH2+])N(CCCC[NH3+])C(=O)CN1CC[NH2+]CC1 ZINC001220103589 780303023 /nfs/dbraw/zinc/30/30/23/780303023.db2.gz YAEPARCLTIUUET-UHFFFAOYSA-N 3 0 256.354 -1.647 20 0 CAADRP COC(=O)[C@@H](N)CCC(=O)N(CCCC[NH3+])C(N)=[NH2+] ZINC001220101255 780303063 /nfs/dbraw/zinc/30/30/63/780303063.db2.gz FPXOTKCFXXKLDU-QMMMGPOBSA-N 2 0 273.337 -1.272 20 0 CAADRP NC(=[NH2+])N(CCCC[NH3+])C(=O)[C@H](N)CN1CCC([NH3+])CC1 ZINC001220103497 780303074 /nfs/dbraw/zinc/30/30/74/780303074.db2.gz UIQPWKZPHVRBGW-LLVKDONJSA-N 3 0 299.423 -1.802 20 0 CAADRP C[S@](=O)CC[C@H](N)C(=O)N(CCCC[NH3+])C(N)=[NH2+] ZINC001220103335 780303111 /nfs/dbraw/zinc/30/31/11/780303111.db2.gz ONUTXRBUINJRFS-ASCAZGACSA-N 2 0 277.394 -1.457 20 0 CAADRP N=C(NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])SCC[NH3+] ZINC001220106724 780304041 /nfs/dbraw/zinc/30/40/41/780304041.db2.gz ZKZPZEKVNKNKMD-ZETCQYMHSA-N 2 0 273.362 -1.321 20 0 CAADRP N=C(NC(=O)[C@@H]([NH3+])CSCC[NH3+])SCC[NH3+] ZINC001220106676 780304321 /nfs/dbraw/zinc/30/43/21/780304321.db2.gz XOIWYGFKRXRUEM-LURJTMIESA-N 3 0 265.408 -1.252 20 0 CAADRP N=C(NC(=O)[C@@]12CC[C@@H](N1)[C@H]([NH3+])C2)SCC[NH3+] ZINC001220106050 780304726 /nfs/dbraw/zinc/30/47/26/780304726.db2.gz ADYQUCMAAFIEOF-XSSZXYGBSA-N 2 0 257.363 -1.049 20 0 CAADRP CCC(CO)(CO)NC(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001220111265 780305754 /nfs/dbraw/zinc/30/57/54/780305754.db2.gz NTSZGBPBUXRHAF-LLVKDONJSA-N 2 0 288.392 -2.014 20 0 CAADRP CCC(CO)(CO)NC(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001220109833 780306476 /nfs/dbraw/zinc/30/64/76/780306476.db2.gz MWDLRMBWCAWSMG-ZWNOBZJWSA-N 2 0 271.361 -1.565 20 0 CAADRP CO[C@@H]1COCC[C@H]1NC(=O)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220141809 780310105 /nfs/dbraw/zinc/31/01/05/780310105.db2.gz XAEPMQJIDBTHPG-GMTAPVOTSA-N 2 0 269.345 -1.285 20 0 CAADRP CS(=O)(=O)N1CC(NC(=O)C[C@@H]([NH3+])CCCC[NH3+])C1 ZINC001220145523 780310762 /nfs/dbraw/zinc/31/07/62/780310762.db2.gz FWWBJKLBNLVFEF-VIFPVBQESA-N 2 0 292.405 -1.407 20 0 CAADRP CS(=O)(=O)N1CC(NC(=O)[C@@H]([NH3+])CSCC[NH3+])C1 ZINC001220145609 780311097 /nfs/dbraw/zinc/31/10/97/780311097.db2.gz IPMPKGJNMDYKFI-QMMMGPOBSA-N 2 0 296.418 -2.234 20 0 CAADRP [NH3+]CC1(NC(=O)[C@H]2COC3(C[NH2+]C3)CN2)COC1 ZINC001220154029 780311968 /nfs/dbraw/zinc/31/19/68/780311968.db2.gz IFUGMONIQWEYGU-MRVPVSSYSA-N 2 0 256.306 -2.839 20 0 CAADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)NCc1cn[nH]c1 ZINC001220147936 780311978 /nfs/dbraw/zinc/31/19/78/780311978.db2.gz LWBBKDWCQMYTCO-NSHDSACASA-N 2 0 266.349 -1.224 20 0 CAADRP C[C@@]1(O)C[C@H](NC(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)C1 ZINC001220150012 780312001 /nfs/dbraw/zinc/31/20/01/780312001.db2.gz MYIOYAHMERQUKM-GMXVVIOVSA-N 2 0 270.377 -1.234 20 0 CAADRP CS(=O)(=O)N1CC(NC(=O)[C@H]([NH3+])C2CC[NH2+]CC2)C1 ZINC001220145912 780312076 /nfs/dbraw/zinc/31/20/76/780312076.db2.gz VZEAIRVYXSUESZ-SNVBAGLBSA-N 2 0 290.389 -1.927 20 0 CAADRP CS(=O)(=O)N1CC(NC(=O)[C@@H]([NH3+])CCCC[NH3+])C1 ZINC001220145861 780312150 /nfs/dbraw/zinc/31/21/50/780312150.db2.gz UAJWUVAHDVIGKJ-VIFPVBQESA-N 2 0 278.378 -1.797 20 0 CAADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC001220152163 780312325 /nfs/dbraw/zinc/31/23/25/780312325.db2.gz WXABPYPBHDAMJW-ADEWGFFLSA-N 3 0 269.393 -1.410 20 0 CAADRP [NH3+][C@H]1C[C@@H](CNC(=O)[C@H]2COC3(C[NH2+]C3)CN2)C1 ZINC001220149970 780312383 /nfs/dbraw/zinc/31/23/83/780312383.db2.gz LDFCFVRBMUIMBE-KXUCPTDWSA-N 2 0 254.334 -1.830 20 0 CAADRP CS(=O)(=O)N1CC(NC(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)C1 ZINC001220145979 780312396 /nfs/dbraw/zinc/31/23/96/780312396.db2.gz YIKKNEKUZPZZOJ-VIFPVBQESA-N 2 0 288.373 -2.445 20 0 CAADRP [NH3+]CC(=O)N1CCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC001220149940 780312493 /nfs/dbraw/zinc/31/24/93/780312493.db2.gz JLJMJRKHKVMRMP-AEJSXWLSSA-N 2 0 254.334 -1.210 20 0 CAADRP [NH3+]CCCC[C@H]([NH3+])C(=O)NC1CC(CO)(CO)C1 ZINC001220152199 780312519 /nfs/dbraw/zinc/31/25/19/780312519.db2.gz YIZYDFLQFFRVHM-JTQLQIEISA-N 2 0 259.350 -1.308 20 0 CAADRP [NH3+]CC1(NC(=O)[C@@H]2COC3(C[NH2+]C3)CN2)COC1 ZINC001220154030 780312538 /nfs/dbraw/zinc/31/25/38/780312538.db2.gz IFUGMONIQWEYGU-QMMMGPOBSA-N 2 0 256.306 -2.839 20 0 CAADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC001220152164 780312642 /nfs/dbraw/zinc/31/26/42/780312642.db2.gz WXABPYPBHDAMJW-WCQGTBRESA-N 3 0 269.393 -1.410 20 0 CAADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)NC1CC(CO)(CO)C1 ZINC001220151914 780312717 /nfs/dbraw/zinc/31/27/17/780312717.db2.gz MIZWODZTYPAFQL-NSHDSACASA-N 2 0 273.377 -1.047 20 0 CAADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)NCc1cn[nH]c1 ZINC001220147935 780312748 /nfs/dbraw/zinc/31/27/48/780312748.db2.gz LWBBKDWCQMYTCO-LLVKDONJSA-N 2 0 266.349 -1.224 20 0 CAADRP CNOCCNC(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001220403233 780344208 /nfs/dbraw/zinc/34/42/08/780344208.db2.gz KVNRGVAOOACAOW-JTQLQIEISA-N 2 0 259.354 -1.996 20 0 CAADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)N[C@H]1C[C@H](O)C1 ZINC001220156730 780313762 /nfs/dbraw/zinc/31/37/62/780313762.db2.gz HZVYJMDMGBAZPV-GMTAPVOTSA-N 2 0 256.350 -1.624 20 0 CAADRP [NH3+]CC(=O)N1CCC[C@H]1C(=O)NC1(C[NH3+])COC1 ZINC001220154405 780314247 /nfs/dbraw/zinc/31/42/47/780314247.db2.gz SLXSITLZEMWIIJ-QMMMGPOBSA-N 2 0 256.306 -2.220 20 0 CAADRP C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N[C@H]1CCC[N@H+](C)C1 ZINC001220159045 780314347 /nfs/dbraw/zinc/31/43/47/780314347.db2.gz LRJFLLWACFIWDB-GUBZILKMSA-N 2 0 272.349 -1.979 20 0 CAADRP [NH3+]CC1(NC(=O)[C@H]2CCCN([C@H]3CC[NH2+]C3)C2)COC1 ZINC001220154425 780314441 /nfs/dbraw/zinc/31/44/41/780314441.db2.gz UBOPXCUOCDDINM-RYUDHWBXSA-N 2 0 282.388 -1.096 20 0 CAADRP [NH3+]CC1(NC(=O)[C@H]2CCCN([C@@H]3CC[NH2+]C3)C2)COC1 ZINC001220154424 780314542 /nfs/dbraw/zinc/31/45/42/780314542.db2.gz UBOPXCUOCDDINM-NWDGAFQWSA-N 2 0 282.388 -1.096 20 0 CAADRP C[N@@H+]1CCC[C@H](NC(=O)[C@H](N)CN2CCC([NH3+])CC2)C1 ZINC001220159989 780314616 /nfs/dbraw/zinc/31/46/16/780314616.db2.gz UEKDQYAFLJXOQB-QWHCGFSZSA-N 2 0 283.420 -1.053 20 0 CAADRP Cn1cncc1C[C@H]([NH3+])C(=O)NC1(C[NH3+])COC1 ZINC001220154792 780314881 /nfs/dbraw/zinc/31/48/81/780314881.db2.gz YSQGTONJEQREKU-VIFPVBQESA-N 2 0 253.306 -1.866 20 0 CAADRP O=C(N[C@H]1COCCC12OCCO2)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220173038 780315430 /nfs/dbraw/zinc/31/54/30/780315430.db2.gz HBUQMJFWBVTKKK-MNOVXSKESA-N 2 0 297.355 -1.556 20 0 CAADRP [NH3+][C@@H](C(=O)N[C@@H]1COCCC12OCCO2)C1CC[NH2+]CC1 ZINC001220173277 780315502 /nfs/dbraw/zinc/31/55/02/780315502.db2.gz MBLNQAYNLPNWLF-VXGBXAGGSA-N 2 0 299.371 -1.039 20 0 CAADRP [NH3+][C@@H](C(=O)N[C@H]1COCCC12OCCO2)C1CC[NH2+]CC1 ZINC001220173275 780315658 /nfs/dbraw/zinc/31/56/58/780315658.db2.gz MBLNQAYNLPNWLF-NWDGAFQWSA-N 2 0 299.371 -1.039 20 0 CAADRP [NH3+]CCC[C@@H]([NH3+])C(=O)N[C@H]1COCCC12OCCO2 ZINC001220170798 780315894 /nfs/dbraw/zinc/31/58/94/780315894.db2.gz VAWAHZIUIJSNLU-ZJUUUORDSA-N 2 0 273.333 -1.299 20 0 CAADRP O=C(N[C@H]1COCCC12OCCO2)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220173039 780316118 /nfs/dbraw/zinc/31/61/18/780316118.db2.gz HBUQMJFWBVTKKK-QWRGUYRKSA-N 2 0 297.355 -1.556 20 0 CAADRP [NH3+]CCC[C@H]([NH3+])C(=O)N[C@H]1COCCC12OCCO2 ZINC001220170796 780316242 /nfs/dbraw/zinc/31/62/42/780316242.db2.gz VAWAHZIUIJSNLU-UWVGGRQHSA-N 2 0 273.333 -1.299 20 0 CAADRP O=C(N[C@@H]1COCCC12OCCO2)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220173037 780316364 /nfs/dbraw/zinc/31/63/64/780316364.db2.gz HBUQMJFWBVTKKK-GHMZBOCLSA-N 2 0 297.355 -1.556 20 0 CAADRP N=C(NC(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1)c1ncc[nH]1 ZINC001220181290 780317071 /nfs/dbraw/zinc/31/70/71/780317071.db2.gz IMQAVFTZPQYKTJ-SECBINFHSA-N 2 0 279.348 -1.398 20 0 CAADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)NCC1CC(=O)C1 ZINC001220179259 780317369 /nfs/dbraw/zinc/31/73/69/780317369.db2.gz HPMNDPLWGCGDDE-LBPRGKRZSA-N 2 0 268.361 -1.168 20 0 CAADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N[C@H]1COCC[C@@H]1O ZINC001220181633 780317591 /nfs/dbraw/zinc/31/75/91/780317591.db2.gz XDEYAUNRDFQXEN-DCAQKATOSA-N 2 0 259.350 -1.031 20 0 CAADRP Cn1ccc(CNC(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)cc1=O ZINC001220178974 780317625 /nfs/dbraw/zinc/31/76/25/780317625.db2.gz CAXOGWXSHKFLSU-LLVKDONJSA-N 2 0 276.340 -1.190 20 0 CAADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)NCC1CC(=O)C1 ZINC001220179257 780317799 /nfs/dbraw/zinc/31/77/99/780317799.db2.gz HPMNDPLWGCGDDE-GFCCVEGCSA-N 2 0 268.361 -1.168 20 0 CAADRP O=C(NCC1(N2CCCC2)COC1)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220197724 780318236 /nfs/dbraw/zinc/31/82/36/780318236.db2.gz PZEPEYSTMHCWQB-GFCCVEGCSA-N 2 0 294.399 -1.224 20 0 CAADRP O=C(NCC1(N2CCCC2)COC1)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220197725 780318564 /nfs/dbraw/zinc/31/85/64/780318564.db2.gz PZEPEYSTMHCWQB-LBPRGKRZSA-N 2 0 294.399 -1.224 20 0 CAADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)NC[C@H]1C[C@@H](O)C1 ZINC001220191884 780318686 /nfs/dbraw/zinc/31/86/86/780318686.db2.gz RZIAYPFFNJGOMG-ADEWGFFLSA-N 2 0 270.377 -1.376 20 0 CAADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)NC[C@H]1CNC(=O)C1 ZINC001220202523 780320402 /nfs/dbraw/zinc/32/04/02/780320402.db2.gz FDZBDTWNSGYTCM-ZJUUUORDSA-N 2 0 256.350 -1.044 20 0 CAADRP O=C(NC[C@@H]1CNC(=O)C1)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001220202910 780320479 /nfs/dbraw/zinc/32/04/79/780320479.db2.gz PFYBJMBLSPRMOI-OPQQBVKSSA-N 2 0 266.345 -1.562 20 0 CAADRP [NH3+][C@@H](C(=O)NC[C@H]1CNC(=O)C1)C1CC[NH2+]CC1 ZINC001220202841 780320656 /nfs/dbraw/zinc/32/06/56/780320656.db2.gz LSZVAQJTZHHLPQ-LDYMZIIASA-N 2 0 254.334 -1.434 20 0 CAADRP CCOC(=O)CC1(NC(=O)[C@H]([NH3+])CCC[NH3+])COC1 ZINC001220214689 780320746 /nfs/dbraw/zinc/32/07/46/780320746.db2.gz DVICXLYHKUFNFI-SECBINFHSA-N 2 0 273.333 -1.109 20 0 CAADRP CCOC(=O)CC1(NC(=O)[C@@H]([NH3+])CCC[NH3+])COC1 ZINC001220214690 780320908 /nfs/dbraw/zinc/32/09/08/780320908.db2.gz DVICXLYHKUFNFI-VIFPVBQESA-N 2 0 273.333 -1.109 20 0 CAADRP O=C(NCCc1cnccn1)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220243091 780323097 /nfs/dbraw/zinc/32/30/97/780323097.db2.gz OTVSXENUEROZEN-LLVKDONJSA-N 2 0 261.329 -1.056 20 0 CAADRP O=C(NCCc1cnccn1)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220243092 780323223 /nfs/dbraw/zinc/32/32/23/780323223.db2.gz OTVSXENUEROZEN-NSHDSACASA-N 2 0 261.329 -1.056 20 0 CAADRP C[NH+](C)CCCC(=O)N[C@@H]1C[N@H+](CCCO)C[C@@H]1O ZINC001220234122 780324009 /nfs/dbraw/zinc/32/40/09/780324009.db2.gz VRWLBBYRHKDLFE-NEPJUHHUSA-N 2 0 273.377 -1.128 20 0 CAADRP CN1C[C@@H](CNC(=O)[C@H]([NH3+])C2CC[NH2+]CC2)CC1=O ZINC001220245406 780324737 /nfs/dbraw/zinc/32/47/37/780324737.db2.gz QOBHJGMZTRDZJH-BXKDBHETSA-N 2 0 268.361 -1.092 20 0 CAADRP CN1C[C@@H](CNC(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)CC1=O ZINC001220245006 780325778 /nfs/dbraw/zinc/32/57/78/780325778.db2.gz CICMFKWLPUZEDQ-ZYHUDNBSSA-N 2 0 297.403 -1.669 20 0 CAADRP CN1C[C@H](CNC(=O)[C@@H]([NH3+])C2CC[NH2+]CC2)CC1=O ZINC001220245407 780325794 /nfs/dbraw/zinc/32/57/94/780325794.db2.gz QOBHJGMZTRDZJH-CABZTGNLSA-N 2 0 268.361 -1.092 20 0 CAADRP C[N@@H+]1CCC[C@@H]1CCNC(=O)[C@@H]1COC2(C[NH2+]C2)CN1 ZINC001220252060 780326636 /nfs/dbraw/zinc/32/66/36/780326636.db2.gz NDJNSZHSIBTLLB-NEPJUHHUSA-N 2 0 282.388 -1.083 20 0 CAADRP C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)NCC(C)(C)C[NH+](C)C ZINC001220254706 780326900 /nfs/dbraw/zinc/32/69/00/780326900.db2.gz UZWLABVBHNBAKP-UWVGGRQHSA-N 2 0 288.392 -1.485 20 0 CAADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)NCc1nc[nH]n1 ZINC001220249822 780326951 /nfs/dbraw/zinc/32/69/51/780326951.db2.gz CQKVHKKWGDHVST-SECBINFHSA-N 2 0 267.337 -1.829 20 0 CAADRP C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N(CC[NH3+])c1cccnc1 ZINC001220263808 780328111 /nfs/dbraw/zinc/32/81/11/780328111.db2.gz YUQLMHNNEDJARY-ONGXEEELSA-N 2 0 295.343 -1.802 20 0 CAADRP CN(C)S(=O)(=O)CCNC(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001220268819 780328218 /nfs/dbraw/zinc/32/82/18/780328218.db2.gz QIEGTGSEEMHUOB-VIFPVBQESA-N 2 0 280.394 -1.550 20 0 CAADRP [NH3+]CCN(C(=O)[C@@H]1C[NH2+]C[C@H]1O)c1cccnc1 ZINC001220263778 780328830 /nfs/dbraw/zinc/32/88/30/780328830.db2.gz XMLDOFXIZQYULT-GHMZBOCLSA-N 2 0 250.302 -1.046 20 0 CAADRP CC(C)C[C@H](NC(=O)C[NH3+])C(=O)N[C@H]1CC[NH2+]C1 ZINC001220283309 780329332 /nfs/dbraw/zinc/32/93/32/780329332.db2.gz VKCUCCLYQWHUJO-UWVGGRQHSA-N 2 0 256.350 -1.046 20 0 CAADRP COCCn1cncc1CNC(=O)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220274872 780329387 /nfs/dbraw/zinc/32/93/87/780329387.db2.gz RGEUJPZSZAVMKT-GFCCVEGCSA-N 2 0 293.371 -1.045 20 0 CAADRP COC(C)(CNC(=O)[C@H]1C[NH2+]CC12C[NH2+]C2)OC ZINC001220509095 780357841 /nfs/dbraw/zinc/35/78/41/780357841.db2.gz KNQCOHYDTRMWKE-SECBINFHSA-N 2 0 257.334 -1.079 20 0 CAADRP COC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001220275399 780329619 /nfs/dbraw/zinc/32/96/19/780329619.db2.gz XHCNIVRCJUQFFI-TUAOUCFPSA-N 2 0 289.376 -1.893 20 0 CAADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)N[C@H]1CC[NH2+]C1 ZINC001220283310 780329661 /nfs/dbraw/zinc/32/96/61/780329661.db2.gz VMBWNAOATXFKLJ-QWRGUYRKSA-N 3 0 255.366 -1.785 20 0 CAADRP CN(CC[NH3+])CCNC(=O)CNC1CC[NH2+]CC1 ZINC001220515553 780358081 /nfs/dbraw/zinc/35/80/81/780358081.db2.gz GDGBSESBRXEMTB-UHFFFAOYSA-N 2 0 257.382 -1.665 20 0 CAADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)N[C@H]1CC[NH2+]C1 ZINC001220283325 780329779 /nfs/dbraw/zinc/32/97/79/780329779.db2.gz VMBWNAOATXFKLJ-WDEREUQCSA-N 3 0 255.366 -1.785 20 0 CAADRP CC(C)(C)OC[C@H]([NH3+])C(=O)NCC(=O)N[C@H]1CC[NH2+]C1 ZINC001220283628 780329883 /nfs/dbraw/zinc/32/98/83/780329883.db2.gz ZNALHCAYBUSZQR-UWVGGRQHSA-N 2 0 286.376 -1.277 20 0 CAADRP C[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CCCO)C[C@@H]1O ZINC001220273407 780330268 /nfs/dbraw/zinc/33/02/68/780330268.db2.gz JNTSDMUUDMZFQO-MNOVXSKESA-N 2 0 259.350 -1.518 20 0 CAADRP NC(=O)CCNC(=O)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001220274617 780330461 /nfs/dbraw/zinc/33/04/61/780330461.db2.gz KWKJNVGXIWQOBO-SECBINFHSA-N 2 0 254.334 -1.148 20 0 CAADRP C[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CCn2cccn2)C[C@@H]1O ZINC001220273962 780330497 /nfs/dbraw/zinc/33/04/97/780330497.db2.gz YDSTVYZJPXZAJC-OLZOCXBDSA-N 2 0 295.387 -1.004 20 0 CAADRP O=C(N[C@H]1COC(=O)C1)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001220296084 780331142 /nfs/dbraw/zinc/33/11/42/780331142.db2.gz GPTFXWFYZUEGIV-KBVBSXBZSA-N 2 0 253.302 -1.383 20 0 CAADRP [NH3+][C@H](C(=O)N[C@@H](CO)Cc1c[nH]cn1)C1CC[NH2+]CC1 ZINC001220291805 780331220 /nfs/dbraw/zinc/33/12/20/780331220.db2.gz YCUCBUSGNFKRJJ-NEPJUHHUSA-N 3 0 281.360 -1.244 20 0 CAADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)N[C@H]1COC(=O)C1 ZINC001220296771 780331580 /nfs/dbraw/zinc/33/15/80/780331580.db2.gz XEPGVPUOZPSEER-NXEZZACHSA-N 2 0 270.333 -1.832 20 0 CAADRP O=C(N[C@@H](CO)Cc1c[nH]cn1)[C@H]1C[C@@H](O)C[NH2+]1 ZINC001220292019 780331782 /nfs/dbraw/zinc/33/17/82/780331782.db2.gz ZGMCRPVHDUJRQN-OPRDCNLKSA-N 2 0 254.290 -1.848 20 0 CAADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)N[C@H]1COC(=O)C1 ZINC001220296772 780331898 /nfs/dbraw/zinc/33/18/98/780331898.db2.gz XEPGVPUOZPSEER-ZJUUUORDSA-N 2 0 270.333 -1.832 20 0 CAADRP [NH3+]CCSC[C@H]([NH3+])C(=O)NC[C@@H]1CNC(=O)CO1 ZINC001220316391 780331990 /nfs/dbraw/zinc/33/19/90/780331990.db2.gz OVSZDLWQKHMVMJ-YUMQZZPRSA-N 2 0 276.362 -2.363 20 0 CAADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N[C@@H](CO)Cc1c[nH]cn1 ZINC001220291789 780332015 /nfs/dbraw/zinc/33/20/15/780332015.db2.gz XRYSPWDAFICDES-MNOVXSKESA-N 3 0 269.349 -1.114 20 0 CAADRP O=C(N[C@@H](CO)Cc1c[nH]cn1)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220290772 780332315 /nfs/dbraw/zinc/33/23/15/780332315.db2.gz DMKCNHJVFZODHY-MNOVXSKESA-N 2 0 279.344 -1.762 20 0 CAADRP C[N@@H+]1CCCN(CCNC(=O)[C@@H]2C[NH2+]C[C@H]2O)CC1 ZINC001220306224 780332362 /nfs/dbraw/zinc/33/23/62/780332362.db2.gz FCFHKVKXGPQPMY-VXGBXAGGSA-N 2 0 270.377 -1.680 20 0 CAADRP C[N@@H+]1CCCN(CCNC(=O)[C@H]2C[C@@H](O)C[NH2+]2)CC1 ZINC001220304313 780333207 /nfs/dbraw/zinc/33/32/07/780333207.db2.gz XTBYKBUIRUAARW-VXGBXAGGSA-N 2 0 270.377 -1.537 20 0 CAADRP C[N@@H+]1CCCN(CCNC(=O)[C@@H]([NH3+])CCC[NH3+])CC1 ZINC001220304073 780333255 /nfs/dbraw/zinc/33/32/55/780333255.db2.gz OIBXZRHLLVVZQA-LBPRGKRZSA-N 3 0 271.409 -1.194 20 0 CAADRP C[N@@H+]1CCCN(CCNC(=O)[C@@H]2C[NH2+]CCN2)CC1 ZINC001220307485 780333266 /nfs/dbraw/zinc/33/32/66/780333266.db2.gz ZOZRKYGDDBSEEV-LBPRGKRZSA-N 2 0 269.393 -1.699 20 0 CAADRP C[N@@H+]1CCCN(CCNC(=O)CNCC[NH3+])CC1 ZINC001220306240 780333280 /nfs/dbraw/zinc/33/32/80/780333280.db2.gz FXRVRROKYRLWBM-UHFFFAOYSA-N 2 0 257.382 -1.712 20 0 CAADRP O=C(NCc1ncn2c1C[NH2+]CCC2)[C@H]1C[C@@H](O)C[NH2+]1 ZINC001220312180 780333364 /nfs/dbraw/zinc/33/33/64/780333364.db2.gz YXJAWHFCXVUUMD-NXEZZACHSA-N 2 0 279.344 -1.285 20 0 CAADRP C[N@@H+]1CCCN(CCNC(=O)[C@@]23C[NH2+]C[C@@H]2CCN3)CC1 ZINC001220304196 780333381 /nfs/dbraw/zinc/33/33/81/780333381.db2.gz TZRMLODVIODPHT-DZGCQCFKSA-N 2 0 295.431 -1.308 20 0 CAADRP C[N@@H+]1CCCN(CCNC(=O)[C@]2(N)CC[NH2+]C2)CC1 ZINC001220306279 780333406 /nfs/dbraw/zinc/33/34/06/780333406.db2.gz HQBJQRGSZLGSMC-ZDUSSCGKSA-N 2 0 269.393 -1.569 20 0 CAADRP [NH3+]C[C@@H](O)CC(=O)NCc1ncn2c1C[NH2+]CCC2 ZINC001220310442 780333975 /nfs/dbraw/zinc/33/39/75/780333975.db2.gz AOQFPTREKJDIGO-VIFPVBQESA-N 2 0 267.333 -1.298 20 0 CAADRP C[N@@H+]1CCCN(CCNC(=O)[C@H]2[NH2+]CC[C@@H]2O)CC1 ZINC001220307190 780334039 /nfs/dbraw/zinc/33/40/39/780334039.db2.gz UDDWFTLUMCVCMC-RYUDHWBXSA-N 2 0 270.377 -1.537 20 0 CAADRP O=C(N[C@@H]1CO[C@]2(C1)CCC[NH2+]C2)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220315386 780334086 /nfs/dbraw/zinc/33/40/86/780334086.db2.gz CCRRWYWJHPCPAB-HUBLWGQQSA-N 3 0 294.399 -1.177 20 0 CAADRP N[C@@H](CC[NH3+])C(=O)NCc1ncn2c1C[NH2+]CCC2 ZINC001220312232 780334270 /nfs/dbraw/zinc/33/42/70/780334270.db2.gz ZTLQMOCVTADKSE-VIFPVBQESA-N 2 0 266.349 -1.331 20 0 CAADRP C[NH+](C)CCCC[C@H]([NH3+])C(=O)NC[C@H]1CNC(=O)CO1 ZINC001220315665 780335211 /nfs/dbraw/zinc/33/52/11/780335211.db2.gz GTGYVOLUHSABOS-MNOVXSKESA-N 2 0 286.376 -1.323 20 0 CAADRP [NH3+][C@H](C(=O)NC[C@H]1CNC(=O)CO1)C1CC[NH2+]CC1 ZINC001220316408 780335683 /nfs/dbraw/zinc/33/56/83/780335683.db2.gz PAJRFNNDSCBGBJ-KOLCDFICSA-N 2 0 270.333 -2.056 20 0 CAADRP N[C@]1(C(=O)N[C@H]2CO[C@]3(C2)CCC[NH2+]C3)CC[NH2+]C1 ZINC001220319745 780336005 /nfs/dbraw/zinc/33/60/05/780336005.db2.gz JCRRLQXNVLMNHN-KGYLQXTDSA-N 2 0 268.361 -1.296 20 0 CAADRP N[C@H]1C[NH2+]C[C@@H]1C(=O)N[C@H]1CO[C@]2(C1)CCC[NH2+]C2 ZINC001220319098 780336034 /nfs/dbraw/zinc/33/60/34/780336034.db2.gz CWYOYRMRXXQIDM-BLFANLJRSA-N 2 0 268.361 -1.440 20 0 CAADRP [NH3+][C@H]1CN[C@H](C(=O)N[C@H]2CO[C@]3(C2)CCC[NH2+]C3)C1 ZINC001220320770 780336055 /nfs/dbraw/zinc/33/60/55/780336055.db2.gz PHGARHDRAUHMOF-DCQANWLSSA-N 2 0 268.361 -1.297 20 0 CAADRP O=C(N[C@@H]1CO[C@@]2(C1)CCC[NH2+]C2)[C@H]1C[NH2+]C[C@@H]1O ZINC001220319914 780336100 /nfs/dbraw/zinc/33/61/00/780336100.db2.gz KEDDXJUSZRGQTJ-MRBYEJRBSA-N 2 0 269.345 -1.406 20 0 CAADRP [NH3+][C@@H]1CN[C@H](C(=O)N[C@@H]2CO[C@@]3(C2)CCC[NH2+]C3)C1 ZINC001220320773 780336107 /nfs/dbraw/zinc/33/61/07/780336107.db2.gz PHGARHDRAUHMOF-MRBYEJRBSA-N 2 0 268.361 -1.297 20 0 CAADRP [NH3+][C@H]1CN[C@H](C(=O)N[C@H]2CO[C@@]3(C2)CCC[NH2+]C3)C1 ZINC001220320771 780336272 /nfs/dbraw/zinc/33/62/72/780336272.db2.gz PHGARHDRAUHMOF-HNCHTBHHSA-N 2 0 268.361 -1.297 20 0 CAADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)NC[C@H]1CNC(=O)CO1 ZINC001220317135 780336332 /nfs/dbraw/zinc/33/63/32/780336332.db2.gz WGDAIWLILOLVPC-ZJUUUORDSA-N 2 0 272.349 -1.665 20 0 CAADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)NC[C@@H]1CNC(=O)CO1 ZINC001220317253 780336348 /nfs/dbraw/zinc/33/63/48/780336348.db2.gz XBOWXCZGFAKZLH-WDEREUQCSA-N 2 0 299.375 -2.632 20 0 CAADRP [NH3+][C@H]1CN[C@H](C(=O)N[C@@H]2CO[C@]3(C2)CCC[NH2+]C3)C1 ZINC001220320768 780336384 /nfs/dbraw/zinc/33/63/84/780336384.db2.gz PHGARHDRAUHMOF-BLFANLJRSA-N 2 0 268.361 -1.297 20 0 CAADRP N[C@H]1C[NH2+]C[C@@H]1C(=O)N[C@H]1CO[C@@]2(C1)CCC[NH2+]C2 ZINC001220319099 780336431 /nfs/dbraw/zinc/33/64/31/780336431.db2.gz CWYOYRMRXXQIDM-MPPDQPJWSA-N 2 0 268.361 -1.440 20 0 CAADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)NC[C@@H]1CNC(=O)CO1 ZINC001220317252 780336509 /nfs/dbraw/zinc/33/65/09/780336509.db2.gz XBOWXCZGFAKZLH-QWRGUYRKSA-N 2 0 299.375 -2.632 20 0 CAADRP O=C(N[C@@H]1CO[C@@]2(C1)CCC[NH2+]C2)[C@]12C[NH2+]C[C@H]1CCN2 ZINC001220317113 780336532 /nfs/dbraw/zinc/33/65/32/780336532.db2.gz VWPZRLMFNNQTPH-OSRDXIQISA-N 2 0 294.399 -1.035 20 0 CAADRP O=C(N[C@@H]1CO[C@@]2(C1)CCC[NH2+]C2)[C@H]1C[NH2+]C[C@H]1O ZINC001220319913 780336624 /nfs/dbraw/zinc/33/66/24/780336624.db2.gz KEDDXJUSZRGQTJ-MEWQQHAOSA-N 2 0 269.345 -1.406 20 0 CAADRP O=C(N[C@H]1CO[C@@]2(C1)CCC[NH2+]C2)[C@H]1C[NH2+]CCN1 ZINC001220320831 780336645 /nfs/dbraw/zinc/33/66/45/780336645.db2.gz QDPYPWFATOEMRQ-NQBHXWOUSA-N 2 0 268.361 -1.425 20 0 CAADRP N[C@@H](CC[NH3+])C(=O)N[C@@H]1CO[C@@]2(C1)CCC[NH2+]C2 ZINC001220321487 780336649 /nfs/dbraw/zinc/33/66/49/780336649.db2.gz URMVAKVETPVGJD-JBLDHEPKSA-N 2 0 256.350 -1.310 20 0 CAADRP [NH3+][C@H]1CN[C@H](C(=O)N[C@@H]2CO[C@@]3(C2)CCC[NH2+]C3)C1 ZINC001220320772 780336669 /nfs/dbraw/zinc/33/66/69/780336669.db2.gz PHGARHDRAUHMOF-MPPDQPJWSA-N 2 0 268.361 -1.297 20 0 CAADRP O=C(NC[C@@H]1CNC(=O)CO1)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220317206 780336817 /nfs/dbraw/zinc/33/68/17/780336817.db2.gz WVBXOGSQYDHGMW-DTWKUNHWSA-N 2 0 268.317 -2.573 20 0 CAADRP N[C@H]1C[NH2+]C[C@@H]1C(=O)N[C@@H]1CO[C@]2(C1)CCC[NH2+]C2 ZINC001220319103 780336833 /nfs/dbraw/zinc/33/68/33/780336833.db2.gz CWYOYRMRXXQIDM-ZPFDUUQYSA-N 2 0 268.361 -1.440 20 0 CAADRP O=C(N[C@@H]1CO[C@@]2(C1)CCC[NH2+]C2)[C@@H]1C[NH2+]C[C@H]1O ZINC001220319915 780336842 /nfs/dbraw/zinc/33/68/42/780336842.db2.gz KEDDXJUSZRGQTJ-SBFPOUOMSA-N 2 0 269.345 -1.406 20 0 CAADRP N[C@]1(C(=O)N[C@H]2CO[C@@]3(C2)CCC[NH2+]C3)CC[NH2+]C1 ZINC001220319746 780336911 /nfs/dbraw/zinc/33/69/11/780336911.db2.gz JCRRLQXNVLMNHN-RAIGVLPGSA-N 2 0 268.361 -1.296 20 0 CAADRP NC(=O)[C@@H](CO)NC(=O)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001220329224 780337502 /nfs/dbraw/zinc/33/75/02/780337502.db2.gz JTIIKLQOWRMXEA-RKDXNWHRSA-N 2 0 270.333 -2.177 20 0 CAADRP NC(=O)[C@@H](CO)NC(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001220329164 780337621 /nfs/dbraw/zinc/33/76/21/780337621.db2.gz IBZOAPRHDRFUMD-SOCHQFKDSA-N 2 0 256.306 -2.852 20 0 CAADRP C[NH+](C)CCCC[C@H]([NH3+])C(=O)N[C@H](CO)C(N)=O ZINC001220329288 780338052 /nfs/dbraw/zinc/33/80/52/780338052.db2.gz LLNPQRXYZBYDQW-DTWKUNHWSA-N 2 0 260.338 -1.992 20 0 CAADRP Cc1cc(NC(=O)[C@@H]([NH3+])CSCC[NH3+])n(N)c(=O)c1 ZINC001220324052 780338158 /nfs/dbraw/zinc/33/81/58/780338158.db2.gz VYLBUPKKCIPJIL-QMMMGPOBSA-N 2 0 285.373 -1.172 20 0 CAADRP Cc1cc(NC(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)n(N)c(=O)c1 ZINC001220324127 780338390 /nfs/dbraw/zinc/33/83/90/780338390.db2.gz YIULFIPCXAQZGS-VIFPVBQESA-N 2 0 277.328 -1.382 20 0 CAADRP CCOC(=O)C1(NC(=O)[C@H]2C[NH2+]C[C@@H]2O)CC[NH+](C)CC1 ZINC001220345380 780339362 /nfs/dbraw/zinc/33/93/62/780339362.db2.gz HRQHXZVFOVPMFH-QWRGUYRKSA-N 2 0 299.371 -1.290 20 0 CAADRP CCOC(=O)C1(NC(=O)[C@@H]2C[NH2+]CCN2)CC[NH+](C)CC1 ZINC001220345101 780339369 /nfs/dbraw/zinc/33/93/69/780339369.db2.gz FEMUBSVWGAMVNB-NSHDSACASA-N 2 0 298.387 -1.309 20 0 CAADRP O=C(NCc1cn[nH]n1)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001220329527 780339662 /nfs/dbraw/zinc/33/96/62/780339662.db2.gz ROSBYEWTUDTDBF-LDYMZIIASA-N 2 0 250.306 -1.380 20 0 CAADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)NCCC1COC1 ZINC001220340400 780339702 /nfs/dbraw/zinc/33/97/02/780339702.db2.gz CFAROSAEKYGAKB-LBPRGKRZSA-N 2 0 270.377 -1.111 20 0 CAADRP COc1ccc(CNC(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)nn1 ZINC001220343407 780339881 /nfs/dbraw/zinc/33/98/81/780339881.db2.gz NFMYTLHFQKQNPG-JTQLQIEISA-N 2 0 277.328 -1.090 20 0 CAADRP CCOC(=O)C1(NC(=O)[C@@H](N)C[NH3+])CC[NH+](C)CC1 ZINC001220346064 780340391 /nfs/dbraw/zinc/34/03/91/780340391.db2.gz XUHYUJQJEYBLPW-VIFPVBQESA-N 2 0 272.349 -1.584 20 0 CAADRP CCOC(=O)C1(NC(=O)C[C@H](O)C[NH3+])CC[NH+](C)CC1 ZINC001220345984 780340403 /nfs/dbraw/zinc/34/04/03/780340403.db2.gz VKMPCWAZGBLUHN-JTQLQIEISA-N 2 0 287.360 -1.160 20 0 CAADRP COC(=O)c1n[nH]cc1NC(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220373599 780340602 /nfs/dbraw/zinc/34/06/02/780340602.db2.gz TZHTYZNZMFVORP-ZETCQYMHSA-N 2 0 279.300 -1.056 20 0 CAADRP CCOC(=O)C1(NC(=O)[C@H]2[NH2+]CC[C@H]2O)CC[NH+](C)CC1 ZINC001220346086 780341803 /nfs/dbraw/zinc/34/18/03/780341803.db2.gz YCFMZWIWUKZAKK-MNOVXSKESA-N 2 0 299.371 -1.147 20 0 CAADRP CN1CCOC[C@@H]1CNC(=O)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220381028 780342768 /nfs/dbraw/zinc/34/27/68/780342768.db2.gz FYWYDHZDHQPUSX-WDEREUQCSA-N 2 0 268.361 -1.758 20 0 CAADRP CN1CCOC[C@H]1CNC(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001220380786 780342796 /nfs/dbraw/zinc/34/27/96/780342796.db2.gz CLKHZNXFVFJVSQ-CHWSQXEVSA-N 2 0 299.419 -1.816 20 0 CAADRP CN1CCOC[C@@H]1CNC(=O)[C@H]([NH3+])C1CC[NH2+]CC1 ZINC001220382402 780342834 /nfs/dbraw/zinc/34/28/34/780342834.db2.gz WHAWCFCJKPSPRB-NWDGAFQWSA-N 2 0 270.377 -1.240 20 0 CAADRP CN1CCOC[C@@H]1CNC(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001220381564 780343358 /nfs/dbraw/zinc/34/33/58/780343358.db2.gz LETUFBBSNGXQKL-QWRGUYRKSA-N 2 0 258.366 -1.111 20 0 CAADRP C=CC(=O)NCCNC(=O)[C@H]([NH3+])C1CC[NH2+]CC1 ZINC001220397109 780344241 /nfs/dbraw/zinc/34/42/41/780344241.db2.gz YYHBJKBDYBONIZ-LLVKDONJSA-N 2 0 254.334 -1.268 20 0 CAADRP C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)NCC12CC[NH+](CC1)CC2 ZINC001220395013 780344874 /nfs/dbraw/zinc/34/48/74/780344874.db2.gz RLVWAJXKAVTSDN-QWRGUYRKSA-N 2 0 298.387 -1.587 20 0 CAADRP O=C(NCC12CC[NH+](CC1)CC2)[C@@H]1COC2(C[NH2+]C2)CN1 ZINC001220395097 780345132 /nfs/dbraw/zinc/34/51/32/780345132.db2.gz VLCUPEOUSTYYMB-LBPRGKRZSA-N 2 0 294.399 -1.081 20 0 CAADRP C=CC(=O)NCCNC(=O)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220394514 780345221 /nfs/dbraw/zinc/34/52/21/780345221.db2.gz JPRQHHYRPSHAPX-SECBINFHSA-N 2 0 252.318 -1.786 20 0 CAADRP Cn1c(=O)cc(NC(=O)[C@@H]([NH3+])CCC[NH3+])[nH]c1=O ZINC001220424855 780346895 /nfs/dbraw/zinc/34/68/95/780346895.db2.gz WOKQTDXXJUBOBU-LURJTMIESA-N 2 0 255.278 -1.509 20 0 CAADRP O=C(NC[C@H]1COCC[NH2+]1)[C@H]1COC2(C[NH2+]C2)CN1 ZINC001220428771 780347892 /nfs/dbraw/zinc/34/78/92/780347892.db2.gz FBPOZAWLMDYRQX-VHSXEESVSA-N 2 0 270.333 -2.579 20 0 CAADRP O=C(NC[C@H]1COCC[NH2+]1)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1 ZINC001220429314 780348179 /nfs/dbraw/zinc/34/81/79/780348179.db2.gz PEMOLNMVHRWLCE-XWLWVQCSSA-N 2 0 254.334 -1.959 20 0 CAADRP O=C(NC[C@H]1COCC[NH2+]1)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001220429269 780348277 /nfs/dbraw/zinc/34/82/77/780348277.db2.gz OMJCFNBVJMPBBI-RYUDHWBXSA-N 3 0 282.388 -1.035 20 0 CAADRP C[S@@](=O)CC[C@H]([NH3+])C(=O)NC[C@H]1COCC[NH2+]1 ZINC001220429409 780348629 /nfs/dbraw/zinc/34/86/29/780348629.db2.gz RBMICCSTNZRHME-IRWWLHRVSA-N 2 0 263.363 -1.813 20 0 CAADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)NC[C@@H]1COCC[NH2+]1 ZINC001220429265 780348369 /nfs/dbraw/zinc/34/83/69/780348369.db2.gz OKXOYHVWLMJDSL-MNOVXSKESA-N 3 0 258.366 -1.192 20 0 CAADRP [NH3+]CC(=O)N1CCC[C@H]1C(=O)NC[C@@H]1COCC[NH2+]1 ZINC001220431839 780348514 /nfs/dbraw/zinc/34/85/14/780348514.db2.gz REHOUZZBWNFGEL-ZJUUUORDSA-N 2 0 270.333 -1.959 20 0 CAADRP Cn1c(=O)cc(NC(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)[nH]c1=O ZINC001220424866 780348588 /nfs/dbraw/zinc/34/85/88/780348588.db2.gz WZZXPWFNTBPGGP-SSDOTTSWSA-N 2 0 279.300 -1.767 20 0 CAADRP CC(=O)N[C@@H](CCCC[NH3+])C(=O)NC[C@@H]1COCC[NH2+]1 ZINC001220431783 780348641 /nfs/dbraw/zinc/34/86/41/780348641.db2.gz PNTQCVQFCZJJAF-NEPJUHHUSA-N 2 0 286.376 -1.275 20 0 CAADRP CC[C@H](C)[C@H]([NH3+])C(=O)NCC(=O)NC[C@@H]1COCC[NH2+]1 ZINC001220431977 780348750 /nfs/dbraw/zinc/34/87/50/780348750.db2.gz UQBGZVSXUWMNCK-UMNHJUIQSA-N 2 0 286.376 -1.419 20 0 CAADRP [NH3+]CCCC[C@H]([NH3+])CC(=O)NC[C@@H]1COCC[NH2+]1 ZINC001220431755 780348786 /nfs/dbraw/zinc/34/87/86/780348786.db2.gz OZBFVTMYURXPJA-WDEREUQCSA-N 3 0 258.366 -1.063 20 0 CAADRP CS(=O)(=O)N(CC[NH3+])CC(=O)NC[C@@H]1COCC[NH2+]1 ZINC001220429113 780348798 /nfs/dbraw/zinc/34/87/98/780348798.db2.gz LGNJVNXTVBBPTR-SECBINFHSA-N 2 0 294.377 -2.689 20 0 CAADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)N[C@H](CO)C(F)(F)F ZINC001220447084 780349704 /nfs/dbraw/zinc/34/97/04/780349704.db2.gz CISWINPLWLXMNS-RKDXNWHRSA-N 2 0 298.309 -1.224 20 0 CAADRP CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)[C@H]([NH3+])CCC[NH3+])O1 ZINC001220481226 780351812 /nfs/dbraw/zinc/35/18/12/780351812.db2.gz AFXSOQSHRONHMD-PRULPYPASA-N 3 0 288.392 -1.106 20 0 CAADRP CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)[C@@H]2C[NH2+]C[C@H]2O)O1 ZINC001220481321 780352987 /nfs/dbraw/zinc/35/29/87/780352987.db2.gz DBCRBFQPBMWTGB-VDWIVTDKSA-N 2 0 287.360 -1.592 20 0 CAADRP CC(C)[C@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)[C@@H]2C[C@@H]([NH3+])CN2)O1 ZINC001220481541 780353001 /nfs/dbraw/zinc/35/30/01/780353001.db2.gz JZJYCXNOVSYQMR-TUTUZKQUSA-N 2 0 286.376 -1.483 20 0 CAADRP CC(C)[C@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)[C@H]2[NH2+]CC[C@@H]2O)O1 ZINC001220481975 780353366 /nfs/dbraw/zinc/35/33/66/780353366.db2.gz XIUITIMOBFFOPK-YHMTXAQFSA-N 2 0 287.360 -1.450 20 0 CAADRP CC(C)[C@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)[C@@H]2C[NH2+]CCN2)O1 ZINC001220481278 780353443 /nfs/dbraw/zinc/35/34/43/780353443.db2.gz BUZCJJBDHZUFMZ-WGBDABJCSA-N 2 0 286.376 -1.611 20 0 CAADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)N1C[C@H](O)C[C@@H]1CO ZINC001220481881 780353451 /nfs/dbraw/zinc/35/34/51/780353451.db2.gz UYPJHKFBAYRLAC-UTUOFQBUSA-N 2 0 286.376 -2.309 20 0 CAADRP CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)[C@@H](N)CC[NH3+])O1 ZINC001220481615 780353522 /nfs/dbraw/zinc/35/35/22/780353522.db2.gz LLEACFPTWOBOHT-BTQIBKBOSA-N 2 0 274.365 -1.497 20 0 CAADRP CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)[C@@H]2C[NH2+]CCN2)O1 ZINC001220481277 780353700 /nfs/dbraw/zinc/35/37/00/780353700.db2.gz BUZCJJBDHZUFMZ-SBFPOUOMSA-N 2 0 286.376 -1.611 20 0 CAADRP CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)[C@@H]2C[C@@H]([NH3+])CN2)O1 ZINC001220481542 780353767 /nfs/dbraw/zinc/35/37/67/780353767.db2.gz JZJYCXNOVSYQMR-UYNYGYNWSA-N 2 0 286.376 -1.483 20 0 CAADRP [NH3+][C@H](C(=O)N1C[C@H](O)C[C@@H]1CO)C1CC[NH2+]CC1 ZINC001220481340 780353902 /nfs/dbraw/zinc/35/39/02/780353902.db2.gz DMIRMARDKNSQAA-MXWKQRLJSA-N 2 0 257.334 -1.733 20 0 CAADRP CN(CC[NH3+])CCNC(=O)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001220516218 780356961 /nfs/dbraw/zinc/35/69/61/780356961.db2.gz SEHMVUWUDSSAAD-LBPRGKRZSA-N 3 0 283.420 -1.133 20 0 CAADRP CN(CC[NH3+])CCNC(=O)[C@]12C[NH2+]C[C@@H]1CCN2 ZINC001220515956 780357050 /nfs/dbraw/zinc/35/70/50/780357050.db2.gz MSNOYWSZQNOVRR-JQWIXIFHSA-N 2 0 255.366 -2.055 20 0 CAADRP CN(CC[NH3+])CCNC(=O)[C@H]([NH3+])CCCNC(N)=O ZINC001220515569 780357265 /nfs/dbraw/zinc/35/72/65/780357265.db2.gz GNUUVCMLEFGZFY-SECBINFHSA-N 2 0 274.369 -2.231 20 0 CAADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)NCCN(C)CC[NH3+] ZINC001220515537 780357401 /nfs/dbraw/zinc/35/74/01/780357401.db2.gz FTVNLVZLDUHIEW-NSHDSACASA-N 3 0 259.398 -1.290 20 0 CAADRP CN(CC[NH3+])CCNC(=O)[C@@H]1C[C@@H]2CC[NH2+]C[C@H]2O1 ZINC001220516159 780357899 /nfs/dbraw/zinc/35/78/99/780357899.db2.gz QGRMBOBXNSUKRB-SDDRHHMPSA-N 2 0 270.377 -1.240 20 0 CAADRP [NH3+]CCOCCOCCNC(=O)[C@@]12CC[C@@H](N1)[C@H]([NH3+])C2 ZINC001220519223 780358602 /nfs/dbraw/zinc/35/86/02/780358602.db2.gz GZZAHZLYWGKHRZ-WZRBSPASSA-N 2 0 286.376 -1.684 20 0 CAADRP [NH3+]CCOCCOCCNC(=O)[C@@H]1C[C@@H]([NH3+])CN1 ZINC001220519188 780358728 /nfs/dbraw/zinc/35/87/28/780358728.db2.gz FRGNEPCLOXLIHO-ZJUUUORDSA-N 2 0 260.338 -2.216 20 0 CAADRP CC(=O)N[C@@H](CCCC[NH3+])C(=O)NCCN(C)CC[NH3+] ZINC001220517519 780358776 /nfs/dbraw/zinc/35/87/76/780358776.db2.gz OYXGTBPGSBJUSZ-LBPRGKRZSA-N 2 0 287.408 -1.373 20 0 CAADRP [NH3+]CCC[C@H]([NH3+])C(=O)NCCOCCOCC[NH3+] ZINC001220519399 780359412 /nfs/dbraw/zinc/35/94/12/780359412.db2.gz MYNDACZMKJCSFD-JTQLQIEISA-N 3 0 262.354 -1.839 20 0 CAADRP CN(CC[NH3+])CCNC(=O)[C@@H]([NH3+])C1CCC(O)CC1 ZINC001220517577 780358845 /nfs/dbraw/zinc/35/88/45/780358845.db2.gz RHQVGLGXUFOGHO-MCIGGMRASA-N 2 0 272.393 -1.129 20 0 CAADRP CCOC(=O)C1=C(NC(=O)[C@H]([NH3+])CCC[NH3+])CC[NH2+]C1 ZINC001220521876 780358855 /nfs/dbraw/zinc/35/88/55/780358855.db2.gz RMACNBYTTOEEGR-SNVBAGLBSA-N 3 0 284.360 -1.021 20 0 CAADRP CCOC(=O)C1=C(NC(=O)[C@H]2C[NH2+]C[C@@H]2O)CC[NH2+]C1 ZINC001220522827 780359046 /nfs/dbraw/zinc/35/90/46/780359046.db2.gz FXKRVTXLATVJMC-ONGXEEELSA-N 2 0 283.328 -1.507 20 0 CAADRP CCOC(=O)C1=C(NC(=O)[C@H]2[NH2+]CC[C@@H]2O)CC[NH2+]C1 ZINC001220523775 780359082 /nfs/dbraw/zinc/35/90/82/780359082.db2.gz UBIJCFJAIJVUBY-QWRGUYRKSA-N 2 0 283.328 -1.364 20 0 CAADRP CCOC(=O)C1=C(NC(=O)[C@H]2C[NH2+]C[C@@H]2N)CC[NH2+]C1 ZINC001220523320 780359099 /nfs/dbraw/zinc/35/90/99/780359099.db2.gz MGGSOTIEIGZJHX-WPRPVWTQSA-N 2 0 282.344 -1.540 20 0 CAADRP [NH3+]CCOCCOCCNC(=O)[C@H]([NH3+])C1CC[NH2+]CC1 ZINC001220519277 780359151 /nfs/dbraw/zinc/35/91/51/780359151.db2.gz ISJVGXGCINKLLT-GFCCVEGCSA-N 3 0 288.392 -1.579 20 0 CAADRP [NH3+]CCOCCOCCNC(=O)[C@]12C[NH2+]C[C@H]1CCN2 ZINC001220519229 780359201 /nfs/dbraw/zinc/35/92/01/780359201.db2.gz HDCACHJBLIDBDV-YPMHNXCESA-N 2 0 286.376 -1.954 20 0 CAADRP [NH3+]CCOCCOCCNC(=O)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220519180 780359221 /nfs/dbraw/zinc/35/92/21/780359221.db2.gz FLCCXSLRDLGWCY-LLVKDONJSA-N 3 0 286.376 -2.097 20 0 CAADRP CCOC(=O)C1=C(NC(=O)[C@@H]2C[NH2+]C[C@@H]2O)CC[NH2+]C1 ZINC001220522823 780359292 /nfs/dbraw/zinc/35/92/92/780359292.db2.gz FXKRVTXLATVJMC-KOLCDFICSA-N 2 0 283.328 -1.507 20 0 CAADRP CCOC(=O)C1=C(NC(=O)[C@H]2C[C@@H](O)C[NH2+]2)CC[NH2+]C1 ZINC001220521423 780359840 /nfs/dbraw/zinc/35/98/40/780359840.db2.gz GKGQVIKGPDXPCW-LDYMZIIASA-N 2 0 283.328 -1.364 20 0 CAADRP CCOC(=O)C1=C(NC(=O)[C@H]2[NH2+]CC[C@H]2O)CC[NH2+]C1 ZINC001220523774 780359919 /nfs/dbraw/zinc/35/99/19/780359919.db2.gz UBIJCFJAIJVUBY-MNOVXSKESA-N 2 0 283.328 -1.364 20 0 CAADRP CC[C@H](C)[C@H]([NH3+])C(=O)NCC(=O)NCCN(C)CC[NH3+] ZINC001220517694 780360077 /nfs/dbraw/zinc/36/00/77/780360077.db2.gz WFDSKNNDOALHAC-JQWIXIFHSA-N 2 0 287.408 -1.517 20 0 CAADRP C[S@](=O)CC[C@H]([NH3+])C(=O)NCCOCCOCC[NH3+] ZINC001220519487 780360162 /nfs/dbraw/zinc/36/01/62/780360162.db2.gz PXWKPVDWYHOWJT-OVWNDWIMSA-N 2 0 295.405 -1.810 20 0 CAADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)NCC(=O)NCC(=O)OC ZINC001220575955 780365123 /nfs/dbraw/zinc/36/51/23/780365123.db2.gz OJSWWPOVXDILKX-VIFPVBQESA-N 2 0 288.348 -1.891 20 0 CAADRP COC(=O)CNC(=O)CNC(=O)[C@@H]([NH3+])C1CC[NH2+]CC1 ZINC001220575819 780365672 /nfs/dbraw/zinc/36/56/72/780365672.db2.gz MDMAGSBHPMBKBT-NSHDSACASA-N 2 0 286.332 -2.281 20 0 CAADRP COC(=O)CNC(=O)CNC(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001220574583 780365770 /nfs/dbraw/zinc/36/57/70/780365770.db2.gz BEMIEBLBZPFBPN-NOZJJQNGSA-N 2 0 298.343 -2.409 20 0 CAADRP COC(=O)CNC(=O)CNC(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220576312 780366303 /nfs/dbraw/zinc/36/63/03/780366303.db2.gz XMCQIYOVUWIACE-QMMMGPOBSA-N 2 0 284.316 -2.799 20 0 CAADRP CCOC(=O)CN(CC[NH3+])C(=O)[C@@H]([NH3+])Cc1cncn1C ZINC001220583679 780367063 /nfs/dbraw/zinc/36/70/63/780367063.db2.gz UHEYWAVERUNLGM-NSHDSACASA-N 2 0 297.359 -1.360 20 0 CAADRP CCOC(=O)CN(CC[NH3+])C(=O)[C@@H]([NH3+])CCC[NH3+] ZINC001220583440 780367270 /nfs/dbraw/zinc/36/72/70/780367270.db2.gz KXDDAWJGXVSVJA-VIFPVBQESA-N 3 0 260.338 -1.597 20 0 CAADRP CCOC(=O)CN(CC[NH3+])C(=O)[C@@H]([NH3+])Cc1cnc[nH]1 ZINC001220583096 780367361 /nfs/dbraw/zinc/36/73/61/780367361.db2.gz DHZRNAIMNFEVCP-JTQLQIEISA-N 2 0 283.332 -1.370 20 0 CAADRP CCOC(=O)CN(CC[NH3+])C(=O)[C@]12C[NH2+]C[C@H]1CCN2 ZINC001220583071 780367409 /nfs/dbraw/zinc/36/74/09/780367409.db2.gz CPMNFOCFYXTAGI-MFKMUULPSA-N 2 0 284.360 -1.712 20 0 CAADRP CCOC(=O)CN(CC[NH3+])C(=O)[C@H]1C[NH2+]C[C@@H]1O ZINC001220583087 780367467 /nfs/dbraw/zinc/36/74/67/780367467.db2.gz DCCZMIOZNCDGDT-IUCAKERBSA-N 2 0 259.306 -2.083 20 0 CAADRP COC(=O)CNC(=O)CNC(=O)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220576311 780367562 /nfs/dbraw/zinc/36/75/62/780367562.db2.gz XMCQIYOVUWIACE-MRVPVSSYSA-N 2 0 284.316 -2.799 20 0 CAADRP CCOC(=O)CN(CC[NH3+])C(=O)[C@H]([NH3+])CCC[NH3+] ZINC001220583424 780368431 /nfs/dbraw/zinc/36/84/31/780368431.db2.gz KXDDAWJGXVSVJA-SECBINFHSA-N 3 0 260.338 -1.597 20 0 CAADRP CCOC(=O)CN(CC[NH3+])C(=O)[C@@H]([NH3+])CSCC[NH3+] ZINC001220583783 780368631 /nfs/dbraw/zinc/36/86/31/780368631.db2.gz YKQUQXPUYFASQP-VIFPVBQESA-N 3 0 292.405 -1.644 20 0 CAADRP CCOC(=O)CN(CC[NH3+])C(=O)[C@@H]([NH3+])COC(C)=O ZINC001220583255 780368754 /nfs/dbraw/zinc/36/87/54/780368754.db2.gz HGBOMBWRLAMGHC-VIFPVBQESA-N 2 0 275.305 -1.773 20 0 CAADRP CCOC(=O)CN(CC[NH3+])C(=O)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220583723 780368826 /nfs/dbraw/zinc/36/88/26/780368826.db2.gz VYVFQTUZOROGOL-SNVBAGLBSA-N 3 0 284.360 -1.854 20 0 CAADRP CC(=O)N1CC(NC(=O)[C@@H]([NH3+])CSCC[NH3+])C1 ZINC001220599597 780369237 /nfs/dbraw/zinc/36/92/37/780369237.db2.gz YEIUXLFGWMDMDU-VIFPVBQESA-N 2 0 260.363 -1.648 20 0 CAADRP N[C@@H](C[NH3+])C(=O)NCc1ccccc1N1CC[NH2+]CC1 ZINC001220651627 780371863 /nfs/dbraw/zinc/37/18/63/780371863.db2.gz MTBNXPXOUCTFSG-LBPRGKRZSA-N 2 0 277.372 -1.002 20 0 CAADRP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CCO)C[C@@H]1O ZINC001220688239 780374189 /nfs/dbraw/zinc/37/41/89/780374189.db2.gz BAVVLXIDUBQEBI-MNOVXSKESA-N 2 0 259.350 -1.518 20 0 CAADRP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CCCO)C[C@@H]1O ZINC001220688435 780374567 /nfs/dbraw/zinc/37/45/67/780374567.db2.gz GKDDEWYHKDMIHR-NEPJUHHUSA-N 2 0 273.377 -1.128 20 0 CAADRP C[C@@H]1COCCN1CCNC(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220725431 780375638 /nfs/dbraw/zinc/37/56/38/780375638.db2.gz RLVRFFZLGOJVCH-NEPJUHHUSA-N 2 0 282.388 -1.368 20 0 CAADRP [NH3+]Cc1ncccc1NC(=O)[C@@H]1COC2(C[NH2+]C2)CN1 ZINC001220711922 780375948 /nfs/dbraw/zinc/37/59/48/780375948.db2.gz UKWXNKXKIJDZAJ-NSHDSACASA-N 2 0 277.328 -1.191 20 0 CAADRP C[C@H]1COCCN1CCNC(=O)[C@@H]([NH3+])CSCC[NH3+] ZINC001220723473 780376226 /nfs/dbraw/zinc/37/62/26/780376226.db2.gz AHYLELWDMDHHST-QWRGUYRKSA-N 2 0 290.433 -1.158 20 0 CAADRP CC(=O)NC[C@@H](C)CNC(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001220756981 780377972 /nfs/dbraw/zinc/37/79/72/780377972.db2.gz PJIXMYBVIBSCIU-ZWNOBZJWSA-N 2 0 299.419 -1.375 20 0 CAADRP CC(=O)NC[C@H](C)CNC(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220756945 780378192 /nfs/dbraw/zinc/37/81/92/780378192.db2.gz OQARQHCSVWMYHU-ONGXEEELSA-N 2 0 268.361 -1.316 20 0 CAADRP C[C@H](O)C[N@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001220768525 780380327 /nfs/dbraw/zinc/38/03/27/780380327.db2.gz QDHOFVYUVQEQGN-TUAOUCFPSA-N 2 0 289.376 -1.893 20 0 CAADRP CCOC(=O)C1=C(NC(=O)[C@@]23CC[C@@H](N2)[C@H]([NH3+])C3)C[NH2+]C1 ZINC001220827241 780381716 /nfs/dbraw/zinc/38/17/16/780381716.db2.gz KSTGVGSZGOOKGQ-RULNRJAQSA-N 3 0 294.355 -1.255 20 0 CAADRP CCOC(=O)C1=C(NC(=O)/C=C/C(=O)NCC[NH3+])C[NH2+]C1 ZINC001220827518 780381780 /nfs/dbraw/zinc/38/17/80/780381780.db2.gz QJFKVAQSYPNNRR-ONEGZZNKSA-N 2 0 296.327 -1.846 20 0 CAADRP CCOC(=O)C1=C(NC(=O)C2(O)CC[NH2+]CC2)C[NH2+]C1 ZINC001220826961 780381983 /nfs/dbraw/zinc/38/19/83/780381983.db2.gz DITULSNQSDBCNA-UHFFFAOYSA-N 2 0 283.328 -1.363 20 0 CAADRP CCOC(=O)C1=C(NC(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3N2)C[NH2+]C1 ZINC001220827562 780382301 /nfs/dbraw/zinc/38/23/01/780382301.db2.gz SGTSTHGYVPZOAQ-INTQDDNPSA-N 2 0 294.355 -1.527 20 0 CAADRP CCOC(=O)C1=C(NC(=O)[C@H]2C[NH2+]CC[C@H]2O)C[NH2+]C1 ZINC001220827424 780382875 /nfs/dbraw/zinc/38/28/75/780382875.db2.gz MVKYFVODZRKWIY-GXSJLCMTSA-N 2 0 283.328 -1.507 20 0 CAADRP CCOC(=O)C1=C(NC(=O)[C@@H]([NH3+])COC(C)=O)C[NH2+]C1 ZINC001220827458 780383077 /nfs/dbraw/zinc/38/30/77/780383077.db2.gz NVIPDAYYQVZDGL-VIFPVBQESA-N 2 0 285.300 -1.587 20 0 CAADRP CCOC(=O)C1=C(NC(=O)CNC(=O)C[NH3+])C[NH2+]C1 ZINC001220827060 780383090 /nfs/dbraw/zinc/38/30/90/780383090.db2.gz GHNJAYCUMYOSRJ-UHFFFAOYSA-N 2 0 270.289 -2.402 20 0 CAADRP CCOC(=O)C1=C(NC(=O)[C@H]2C[NH2+]C[C@H](O)C2)C[NH2+]C1 ZINC001220827481 780383159 /nfs/dbraw/zinc/38/31/59/780383159.db2.gz OQVDRYSYEAQMKF-RKDXNWHRSA-N 2 0 283.328 -1.507 20 0 CAADRP CCOC(=O)C1=C(NC(=O)[C@@H]([NH3+])Cc2cnc[nH]2)C[NH2+]C1 ZINC001220825640 780383170 /nfs/dbraw/zinc/38/31/70/780383170.db2.gz PIHMMUNDCBAHHG-JTQLQIEISA-N 3 0 293.327 -1.184 20 0 CAADRP CCOC(=O)C1=C(NC(=O)[C@]2(C)CC[NH2+]C[C@H]2O)C[NH2+]C1 ZINC001220826999 780383284 /nfs/dbraw/zinc/38/32/84/780383284.db2.gz DYBKBHZIQFFFDP-BXUZGUMPSA-N 2 0 297.355 -1.117 20 0 CAADRP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@H](C)O)C[C@@H]1O ZINC001220828842 780383778 /nfs/dbraw/zinc/38/37/78/780383778.db2.gz FFDAFXPPBVKMRR-TUAOUCFPSA-N 2 0 273.377 -1.130 20 0 CAADRP CCOC(=O)C1=C(NC(=O)C[C@@H]2COCC[NH2+]2)C[NH2+]C1 ZINC001220828081 780383846 /nfs/dbraw/zinc/38/38/46/780383846.db2.gz GCCFUYYHOJSCJG-SECBINFHSA-N 2 0 283.328 -1.099 20 0 CAADRP CCOC(=O)C1=C(NC(=O)[C@@]2(N)CCC[NH2+]C2)C[NH2+]C1 ZINC001220828725 780384172 /nfs/dbraw/zinc/38/41/72/780384172.db2.gz QKJXJHFHHILNKO-CYBMUJFWSA-N 2 0 282.344 -1.396 20 0 CAADRP CCOC(=O)C1=C(NC(=O)[C@@H]([NH2+]C)[C@@H](C)O)C[NH2+]C1 ZINC001220829013 780384276 /nfs/dbraw/zinc/38/42/76/780384276.db2.gz VVUDHGRXRISDIR-XCBNKYQSSA-N 2 0 271.317 -1.508 20 0 CAADRP CCOC(=O)C1=C(NC(=O)[C@H]2C[NH2+]CCN2C)C[NH2+]C1 ZINC001220830160 780384294 /nfs/dbraw/zinc/38/42/94/780384294.db2.gz QGVCFIIYBIMRQC-LLVKDONJSA-N 2 0 282.344 -1.573 20 0 CAADRP CCOC(=O)C1=C(NC(=O)C[NH2+]CCC[NH3+])C[NH2+]C1 ZINC001220830009 780384452 /nfs/dbraw/zinc/38/44/52/780384452.db2.gz JVRAHBISYQNAEP-UHFFFAOYSA-N 3 0 270.333 -1.539 20 0 CAADRP CCOC(=O)C1=C(NC(=O)[C@H]2[NH2+]CC[C@H]2O)C[NH2+]C1 ZINC001220830175 780384498 /nfs/dbraw/zinc/38/44/98/780384498.db2.gz QKTJOMYKWSMVNA-ZJUUUORDSA-N 2 0 269.301 -1.754 20 0 CAADRP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](CCO)C[C@@H]1O ZINC001220830641 780384585 /nfs/dbraw/zinc/38/45/85/780384585.db2.gz GDAFAXAFWBMSJX-MNOVXSKESA-N 2 0 259.350 -1.518 20 0 CAADRP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@@H](C)O)C[C@@H]1O ZINC001220828843 780384805 /nfs/dbraw/zinc/38/48/05/780384805.db2.gz FFDAFXPPBVKMRR-UTUOFQBUSA-N 2 0 273.377 -1.130 20 0 CAADRP CCOC(=O)C1=C(NC(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)C[NH2+]C1 ZINC001220827576 780384932 /nfs/dbraw/zinc/38/49/32/780384932.db2.gz SZJVMFNWCYHLKE-JTQLQIEISA-N 3 0 294.355 -1.668 20 0 CAADRP CCOC(=O)C1=C(NC(=O)[C@H]2C[NH2+]C[C@@H]2N)C[NH2+]C1 ZINC001220830237 780384976 /nfs/dbraw/zinc/38/49/76/780384976.db2.gz SOFKLKYVKCAHIL-CBAPKCEASA-N 2 0 268.317 -1.930 20 0 CAADRP CCOC(=O)C1=C(NC(=O)[C@@H]([NH3+])CCCC[NH3+])C[NH2+]C1 ZINC001220827915 780385009 /nfs/dbraw/zinc/38/50/09/780385009.db2.gz CNTLWLIWSZCMTI-JTQLQIEISA-N 3 0 284.360 -1.021 20 0 CAADRP CCOC(=O)C1=C(NC(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)C[NH2+]C1 ZINC001220827577 780385217 /nfs/dbraw/zinc/38/52/17/780385217.db2.gz SZJVMFNWCYHLKE-SNVBAGLBSA-N 3 0 294.355 -1.668 20 0 CAADRP CCOC(=O)C1(NC(=O)[C@@]23C[NH2+]C[C@H]2CCN3)C[NH2+]C1 ZINC001220851018 780385789 /nfs/dbraw/zinc/38/57/89/780385789.db2.gz DGFZONYJFZSONZ-NOZJJQNGSA-N 2 0 282.344 -2.041 20 0 CAADRP CCOC(=O)C1(NC(=O)[C@@H]2C[NH2+]C[C@H]2O)C[NH2+]C1 ZINC001220851005 780385960 /nfs/dbraw/zinc/38/59/60/780385960.db2.gz CZFMJKGGLHZAQV-HTQZYQBOSA-N 2 0 257.290 -2.412 20 0 CAADRP CSCC[C@H](NC(=O)[C@@H]([NH3+])CSCC[NH3+])C(N)=O ZINC001220840080 780386105 /nfs/dbraw/zinc/38/61/05/780386105.db2.gz HOTRMTATTAADKN-YUMQZZPRSA-N 2 0 294.446 -1.271 20 0 CAADRP CCOC(=O)C1(NC(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)C[NH2+]C1 ZINC001220851064 780386300 /nfs/dbraw/zinc/38/63/00/780386300.db2.gz GATHLFCQZMQQRZ-SECBINFHSA-N 3 0 282.344 -2.183 20 0 CAADRP CCOC(=O)C1(NC(=O)[C@]23C[NH2+]C[C@@H]2CCN3)C[NH2+]C1 ZINC001220851021 780386348 /nfs/dbraw/zinc/38/63/48/780386348.db2.gz DGFZONYJFZSONZ-ZANVPECISA-N 2 0 282.344 -2.041 20 0 CAADRP C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)NCc1ccccc1C[NH3+] ZINC001220855438 780387505 /nfs/dbraw/zinc/38/75/05/780387505.db2.gz YNQDJZZJXSYRMM-CABZTGNLSA-N 2 0 294.355 -1.414 20 0 CAADRP CCOC(=O)C1(NC(=O)[C@H](CCCC[NH3+])[NH2+]C)C[NH2+]C1 ZINC001220851182 780387718 /nfs/dbraw/zinc/38/77/18/780387718.db2.gz LGRBBYHLWCVLQT-JTQLQIEISA-N 3 0 286.376 -1.275 20 0 CAADRP CCOC(=O)C1(NC(=O)[C@H]([NH3+])C2CC[NH2+]CC2)C[NH2+]C1 ZINC001220851287 780387846 /nfs/dbraw/zinc/38/78/46/780387846.db2.gz OTIFODCCFYVICA-SNVBAGLBSA-N 3 0 284.360 -1.665 20 0 CAADRP CCOC(=O)C1(NC(=O)[C@H]2[NH2+]CC[C@@H]2O)C[NH2+]C1 ZINC001220852891 780388050 /nfs/dbraw/zinc/38/80/50/780388050.db2.gz BIHFPVMKHQMCQH-YUMQZZPRSA-N 2 0 257.290 -2.270 20 0 CAADRP CCOC(=O)C1(NC(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3N2)C[NH2+]C1 ZINC001220851484 780388245 /nfs/dbraw/zinc/38/82/45/780388245.db2.gz XQZQAEQHSDXVPJ-LPEHRKFASA-N 2 0 282.344 -2.042 20 0 CAADRP CCOC(=O)C1(NC(=O)[C@@H]([NH3+])C2CC[NH2+]CC2)C[NH2+]C1 ZINC001220851286 780388672 /nfs/dbraw/zinc/38/86/72/780388672.db2.gz OTIFODCCFYVICA-JTQLQIEISA-N 3 0 284.360 -1.665 20 0 CAADRP CCOC(=O)C1(NC(=O)C2(N)CC[NH2+]CC2)C[NH2+]C1 ZINC001220851430 780388812 /nfs/dbraw/zinc/38/88/12/780388812.db2.gz VWQOBVGKSCWDCA-UHFFFAOYSA-N 2 0 270.333 -1.911 20 0 CAADRP CCOC(=O)C1(NC(=O)[C@@]2(N)CCC[NH2+]C2)C[NH2+]C1 ZINC001220851527 780388867 /nfs/dbraw/zinc/38/88/67/780388867.db2.gz ZDBNVBVBELBFPW-LLVKDONJSA-N 2 0 270.333 -1.911 20 0 CAADRP CCOC(=O)C1(NC(=O)[C@@H]2CC[NH2+]C[C@@H]2F)C[NH2+]C1 ZINC001220853033 780389217 /nfs/dbraw/zinc/38/92/17/780389217.db2.gz IPJFIWSAYVWYGK-BDAKNGLRSA-N 2 0 273.308 -1.045 20 0 CAADRP CC(C)(C)[C@H](C[NH3+])NC(=O)[C@H]1COC2(C[NH2+]C2)CN1 ZINC001220857451 780389512 /nfs/dbraw/zinc/38/95/12/780389512.db2.gz COIRYAUHYDDPFY-ZJUUUORDSA-N 2 0 270.377 -1.194 20 0 CAADRP CCOC(=O)C1(NC(=O)[C@@H]2CC[NH2+]C[C@H]2F)C[NH2+]C1 ZINC001220853036 780389531 /nfs/dbraw/zinc/38/95/31/780389531.db2.gz IPJFIWSAYVWYGK-RKDXNWHRSA-N 2 0 273.308 -1.045 20 0 CAADRP CCOC(=O)C1(NC(=O)C[NH2+]CCC[NH3+])C[NH2+]C1 ZINC001220851384 780389555 /nfs/dbraw/zinc/38/95/55/780389555.db2.gz UPMHQQXGCMTDNG-UHFFFAOYSA-N 3 0 258.322 -2.054 20 0 CAADRP [NH3+]CCC[C@H]([NH3+])C(=O)NCCOCCN1C(=O)C=CC1=O ZINC001220877403 780389940 /nfs/dbraw/zinc/38/99/40/780389940.db2.gz YROKYGQSTGRRBC-JTQLQIEISA-N 2 0 298.343 -1.890 20 0 CAADRP [NH3+]CCCC[C@H]([NH3+])C(=O)NCCN1CCNCC1=O ZINC001220874464 780390194 /nfs/dbraw/zinc/39/01/94/780390194.db2.gz JODXEIAAKNHGGZ-JTQLQIEISA-N 2 0 271.365 -2.009 20 0 CAADRP [NH3+]CCC[C@H]([NH3+])C(=O)NCCN1CCNCC1=O ZINC001220872080 780390209 /nfs/dbraw/zinc/39/02/09/780390209.db2.gz JLUUZHSRBUHIJC-VIFPVBQESA-N 2 0 257.338 -2.399 20 0 CAADRP [NH3+]CCC[NH2+]CC(=O)NCCN1CCNCC1=O ZINC001220874179 780391754 /nfs/dbraw/zinc/39/17/54/780391754.db2.gz CHGHSHNDDYPDOG-UHFFFAOYSA-N 2 0 257.338 -2.527 20 0 CAADRP O=C(N[C@@H]1CCC[NH2+]C1)[C@H]1NC(=O)CC12C[NH2+]C2 ZINC001220884525 780392042 /nfs/dbraw/zinc/39/20/42/780392042.db2.gz GBSAQUPANFJQQG-PSASIEDQSA-N 2 0 252.318 -1.667 20 0 CAADRP O=C(N[C@@H]1CCC[NH2+]C1)[C@@H]1NC(=O)CC12C[NH2+]C2 ZINC001220884526 780392481 /nfs/dbraw/zinc/39/24/81/780392481.db2.gz GBSAQUPANFJQQG-SCZZXKLOSA-N 2 0 252.318 -1.667 20 0 CAADRP Cn1cncc1CCC(=O)N[C@@H]1C[N@H+](CCCO)C[C@@H]1O ZINC001220888742 780392515 /nfs/dbraw/zinc/39/25/15/780392515.db2.gz VRVFJHLADLZJHR-OLZOCXBDSA-N 2 0 296.371 -1.104 20 0 CAADRP NC(=O)NCCC[C@H]([NH3+])C(=O)N[C@H]1CCC[NH2+]C1 ZINC001220884769 780392576 /nfs/dbraw/zinc/39/25/76/780392576.db2.gz MOJYVTPDFYBZOA-IUCAKERBSA-N 2 0 257.338 -1.370 20 0 CAADRP NC(=O)NCCC[C@@H]([NH3+])C(=O)N[C@@H]1CCC[NH2+]C1 ZINC001220884770 780392881 /nfs/dbraw/zinc/39/28/81/780392881.db2.gz MOJYVTPDFYBZOA-RKDXNWHRSA-N 2 0 257.338 -1.370 20 0 CAADRP O=C(N[C@@H]1CCC[NH2+]C1)[C@@H]1CNC(=O)C12CC[NH2+]CC2 ZINC001220884628 780393046 /nfs/dbraw/zinc/39/30/46/780393046.db2.gz IXUSYWFZKZNOSM-MNOVXSKESA-N 2 0 280.372 -1.030 20 0 CAADRP O=C(N[C@@H]1CCC[NH2+]C1)[C@H]1CNC(=O)C12CC[NH2+]CC2 ZINC001220884627 780393120 /nfs/dbraw/zinc/39/31/20/780393120.db2.gz IXUSYWFZKZNOSM-GHMZBOCLSA-N 2 0 280.372 -1.030 20 0 CAADRP O=C(N[C@H]1CCC[NH2+]C1)[C@H]1CNC(=O)C12CC[NH2+]CC2 ZINC001220884630 780393455 /nfs/dbraw/zinc/39/34/55/780393455.db2.gz IXUSYWFZKZNOSM-WDEREUQCSA-N 2 0 280.372 -1.030 20 0 CAADRP COC(=O)[C@@H]1C[C@@H]1CNC(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001220882019 780393534 /nfs/dbraw/zinc/39/35/34/780393534.db2.gz QZTGUTPWGZRGJA-YUSALJHKSA-N 2 0 298.387 -1.338 20 0 CAADRP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H]1CCC[NH2+]C1 ZINC001220889930 780394000 /nfs/dbraw/zinc/39/40/00/780394000.db2.gz QRRGBVNOLHKYTR-CIUDSAMLSA-N 2 0 285.348 -2.438 20 0 CAADRP [NH3+]CCN(CCNC(=O)[C@@H]1C[NH2+]CCN1)N(O)N=O ZINC001220903382 780394070 /nfs/dbraw/zinc/39/40/70/780394070.db2.gz SBYVVYYTDHTSQF-QMMMGPOBSA-N 2 0 275.313 -2.788 20 0 CAADRP N[C@H]1C[NH2+]C[C@@H]1C(=O)NCCN(CC[NH3+])N(O)N=O ZINC001220902806 780394083 /nfs/dbraw/zinc/39/40/83/780394083.db2.gz AQWMSJIBQHMYBC-YUMQZZPRSA-N 2 0 275.313 -2.802 20 0 CAADRP N[C@@]1(C(=O)NCCN(CC[NH3+])N(O)N=O)CC[NH2+]C1 ZINC001220902854 780394200 /nfs/dbraw/zinc/39/42/00/780394200.db2.gz CYUZFBHZYVJALD-VIFPVBQESA-N 2 0 275.313 -2.658 20 0 CAADRP [NH3+]CCN(CCNC(=O)[C@H]1CC[NH2+]C[C@H]1F)N(O)N=O ZINC001220903742 780394228 /nfs/dbraw/zinc/39/42/28/780394228.db2.gz YVJXGVMFKAXXLR-DTWKUNHWSA-N 2 0 292.315 -1.402 20 0 CAADRP CCC(=O)N1CC[C@H](NC(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)C1 ZINC001220906949 780394263 /nfs/dbraw/zinc/39/42/63/780394263.db2.gz DKGPVCYYPCDFFI-QWRGUYRKSA-N 2 0 280.372 -1.078 20 0 CAADRP C[C@]1(C(=O)NCCN(CC[NH3+])N(O)N=O)CC[NH2+]C1 ZINC001220902894 780394641 /nfs/dbraw/zinc/39/46/41/780394641.db2.gz DXRQQLNVMGTWTE-JTQLQIEISA-N 2 0 274.325 -1.350 20 0 CAADRP C[S@](=O)CC[C@H]([NH3+])C(=O)NCCO[C@H]1CC[NH2+]C1 ZINC001220937138 780395441 /nfs/dbraw/zinc/39/54/41/780395441.db2.gz MSQSTUKCXYUAAX-RAALSFIWSA-N 2 0 277.390 -1.423 20 0 CAADRP CC(=O)OC[C@H]([NH3+])C(=O)NCCO[C@H]1CC[NH2+]C1 ZINC001220936360 780396328 /nfs/dbraw/zinc/39/63/28/780396328.db2.gz FKNFRLCDDLKHPF-UWVGGRQHSA-N 2 0 259.306 -1.629 20 0 CAADRP O=C(NCCO[C@@H]1CC[NH2+]C1)[C@@]12C[NH2+]C[C@H]1CCN2 ZINC001220936383 780396349 /nfs/dbraw/zinc/39/63/49/780396349.db2.gz FUBPNYQCSJCOEW-NQBHXWOUSA-N 2 0 268.361 -1.567 20 0 CAADRP O=C(NCCO[C@H]1CC[NH2+]C1)[C@H]1COC2(C[NH2+]C2)CN1 ZINC001220936478 780397085 /nfs/dbraw/zinc/39/70/85/780397085.db2.gz FYQJOISTHLBSFW-WDEREUQCSA-N 2 0 284.360 -2.189 20 0 CAADRP Cn1cncc1C[C@H]([NH3+])C(=O)NCCO[C@@H]1CC[NH2+]C1 ZINC001220937329 780397490 /nfs/dbraw/zinc/39/74/90/780397490.db2.gz PDRRANWJMNFPLO-NEPJUHHUSA-N 2 0 281.360 -1.215 20 0 CAADRP C[S@@](=O)CC[C@H]([NH3+])C(=O)NCCO[C@@H]1CC[NH2+]C1 ZINC001220937135 780397516 /nfs/dbraw/zinc/39/75/16/780397516.db2.gz MSQSTUKCXYUAAX-AUSHCKSDSA-N 2 0 277.390 -1.423 20 0 CAADRP C[S@](=O)CC[C@H]([NH3+])C(=O)n1cc(C[NH3+])cnc1=N ZINC001220950663 780397736 /nfs/dbraw/zinc/39/77/36/780397736.db2.gz BMXWYHVDMJBLJI-ASCAZGACSA-N 2 0 271.346 -1.443 20 0 CAADRP [NH3+]CCCC[C@H]([NH3+])C(=O)NCCO[C@@H]1CC[NH2+]C1 ZINC001220937507 780397811 /nfs/dbraw/zinc/39/78/11/780397811.db2.gz TZDQZMQOMUVGDJ-MNOVXSKESA-N 3 0 258.366 -1.063 20 0 CAADRP N=c1ncc(C[NH3+])cn1C(=O)CN1CCCC[C@H]([NH3+])C1=O ZINC001220951372 780397827 /nfs/dbraw/zinc/39/78/27/780397827.db2.gz YWGQFABVDYMSBT-JTQLQIEISA-N 2 0 292.343 -1.199 20 0 CAADRP [NH3+][C@H]1CCCCN(CC(=O)NCCO[C@H]2CC[NH2+]C2)C1=O ZINC001220937378 780398058 /nfs/dbraw/zinc/39/80/58/780398058.db2.gz QGDZFYXRQZFWSY-RYUDHWBXSA-N 2 0 298.387 -1.179 20 0 CAADRP [NH3+][C@@H](Cc1cnc[nH]1)C(=O)NCCO[C@H]1CC[NH2+]C1 ZINC001220937411 780398098 /nfs/dbraw/zinc/39/80/98/780398098.db2.gz QUQBBOXLRFWQMG-QWRGUYRKSA-N 2 0 267.333 -1.226 20 0 CAADRP [NH3+][C@@H](C(=O)NCCO[C@H]1CC[NH2+]C1)C1CC[NH2+]CC1 ZINC001220937708 780398253 /nfs/dbraw/zinc/39/82/53/780398253.db2.gz YDNQCZZARDETEN-NWDGAFQWSA-N 3 0 270.377 -1.192 20 0 CAADRP N=c1ncc(C[NH3+])cn1C(=O)[C@@H](N)CN1CCC([NH3+])CC1 ZINC001220951266 780398544 /nfs/dbraw/zinc/39/85/44/780398544.db2.gz VJBUGZXGBJQYSV-NSHDSACASA-N 2 0 293.375 -1.788 20 0 CAADRP O=C(CN1CC[NH2+]CC1)NCCO[C@@H]1CC[NH2+]C1 ZINC001220937515 780398670 /nfs/dbraw/zinc/39/86/70/780398670.db2.gz UBYYNGQLWJXJIY-LLVKDONJSA-N 2 0 256.350 -1.614 20 0 CAADRP Cn1cncc1C[C@H]([NH3+])C(=O)n1cc(C[NH3+])cnc1=N ZINC001220950731 780398709 /nfs/dbraw/zinc/39/87/09/780398709.db2.gz DPTDNNYVWHVISM-JTQLQIEISA-N 2 0 275.316 -1.235 20 0 CAADRP O=C(NCCO[C@@H]1CC[NH2+]C1)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220937456 780398782 /nfs/dbraw/zinc/39/87/82/780398782.db2.gz RZSQFHRLLQCBDZ-GHMZBOCLSA-N 3 0 268.361 -1.710 20 0 CAADRP N=c1ncc(C[NH3+])cn1C(=O)[C@@]12C[NH2+]C[C@@H]1CCN2 ZINC001220951423 780398803 /nfs/dbraw/zinc/39/88/03/780398803.db2.gz ZYWGKZQUVCYQQF-JOYOIKCWSA-N 2 0 262.317 -1.587 20 0 CAADRP NC(=O)NCCC[C@@H]([NH3+])C(=O)NCCO[C@H]1CC[NH2+]C1 ZINC001220937480 780399157 /nfs/dbraw/zinc/39/91/57/780399157.db2.gz SNONKEHNDZHIBY-VHSXEESVSA-N 2 0 287.364 -1.743 20 0 CAADRP N=c1ncc(C[NH3+])cn1C(=O)[C@@H]([NH3+])C1CC[NH2+]CC1 ZINC001220950943 780399287 /nfs/dbraw/zinc/39/92/87/780399287.db2.gz LHZGUGKEYVUVKH-JTQLQIEISA-N 3 0 264.333 -1.212 20 0 CAADRP N=c1ncc(C[NH3+])cn1C(=O)[C@H](N)CN1CCC([NH3+])CC1 ZINC001220951265 780399316 /nfs/dbraw/zinc/39/93/16/780399316.db2.gz VJBUGZXGBJQYSV-LLVKDONJSA-N 2 0 293.375 -1.788 20 0 CAADRP N=c1ncc(C[NH3+])cn1C(=O)CNC1CC[NH2+]CC1 ZINC001220950850 780399462 /nfs/dbraw/zinc/39/94/62/780399462.db2.gz IOIDVLVZYURFEC-UHFFFAOYSA-N 2 0 264.333 -1.197 20 0 CAADRP N=c1ncc(C[NH3+])cn1C(=O)C[C@@H]1COCC[NH2+]1 ZINC001220951056 780399521 /nfs/dbraw/zinc/39/95/21/780399521.db2.gz OQHUTEDQAHIIDB-SECBINFHSA-N 2 0 251.290 -1.160 20 0 CAADRP C[S@@](=O)CC[C@H]([NH3+])C(=O)n1cc(C[NH3+])cnc1=N ZINC001220950664 780399582 /nfs/dbraw/zinc/39/95/82/780399582.db2.gz BMXWYHVDMJBLJI-DCXZOGHSSA-N 2 0 271.346 -1.443 20 0 CAADRP N=c1ncc(C[NH3+])cn1C(=O)C[C@H]1COCC[NH2+]1 ZINC001220951057 780399661 /nfs/dbraw/zinc/39/96/61/780399661.db2.gz OQHUTEDQAHIIDB-VIFPVBQESA-N 2 0 251.290 -1.160 20 0 CAADRP Cc1nnc(CNC(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)o1 ZINC001221011353 780402008 /nfs/dbraw/zinc/40/20/08/780402008.db2.gz ZMNKWGGPEQSVRV-SNVBAGLBSA-N 2 0 282.348 -1.255 20 0 CAADRP COC(=O)CC[C@H](NC(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2)C(N)=O ZINC001221018567 780402019 /nfs/dbraw/zinc/40/20/19/780402019.db2.gz FRTZMKVAYKIMAO-IUCAKERBSA-N 2 0 298.343 -2.281 20 0 CAADRP COC(=O)CC[C@H](NC(=O)[C@H]([NH3+])CCC[NH3+])C(N)=O ZINC001221018345 780402235 /nfs/dbraw/zinc/40/22/35/780402235.db2.gz AQVDWPCEZGPHEI-SFYZADRCSA-N 2 0 274.321 -2.024 20 0 CAADRP C[NH+](C)CC(=O)N[C@H]1CC[C@H](NC(=O)[C@@H](N)CC[NH3+])CC1 ZINC001221006473 780402325 /nfs/dbraw/zinc/40/23/25/780402325.db2.gz HXLWLPTVJYMKAG-SRVKXCTJSA-N 2 0 299.419 -1.232 20 0 CAADRP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[NH+](CCO)C[C@@H]1O ZINC001221091881 780403303 /nfs/dbraw/zinc/40/33/03/780403303.db2.gz ZDEOBQGZQXQARZ-MNOVXSKESA-N 2 0 259.350 -1.520 20 0 CAADRP COCCC1([NH3+])CCN(C(=O)[C@@H]2C[NH2+]C[C@@H]2O)CC1 ZINC001221136185 780403762 /nfs/dbraw/zinc/40/37/62/780403762.db2.gz LQQOINKVDWHIBQ-MNOVXSKESA-N 2 0 271.361 -1.077 20 0 CAADRP COCCC1([NH3+])CCN(C(=O)[C@H]2C[NH2+]C[C@@H]2O)CC1 ZINC001221136186 780403773 /nfs/dbraw/zinc/40/37/73/780403773.db2.gz LQQOINKVDWHIBQ-QWRGUYRKSA-N 2 0 271.361 -1.077 20 0 CAADRP COCCC1([NH3+])CCN(C(=O)[C@H]2C[NH2+]C[C@H]2O)CC1 ZINC001221136187 780404192 /nfs/dbraw/zinc/40/41/92/780404192.db2.gz LQQOINKVDWHIBQ-WDEREUQCSA-N 2 0 271.361 -1.077 20 0 CAADRP COCCC1([NH3+])CCN(C(=O)[C@@H]2C[NH2+]C[C@H]2O)CC1 ZINC001221136184 780404531 /nfs/dbraw/zinc/40/45/31/780404531.db2.gz LQQOINKVDWHIBQ-GHMZBOCLSA-N 2 0 271.361 -1.077 20 0 CAADRP COC(=O)[C@H](CCC[NH3+])NC(=O)[C@@H]([NH3+])C1CC[NH2+]CC1 ZINC001221190726 780406968 /nfs/dbraw/zinc/40/69/68/780406968.db2.gz ZRDIQVYZWZQSJI-QWRGUYRKSA-N 3 0 286.376 -1.290 20 0 CAADRP CCCC[C@H](NC(=O)[C@H]1C[NH2+]CC12C[NH2+]C2)C(N)=O ZINC001221234748 780407055 /nfs/dbraw/zinc/40/70/55/780407055.db2.gz LOOQOXOHYPASJR-ZJUUUORDSA-N 2 0 268.361 -1.044 20 0 CAADRP C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N[C@H]1C[C@@](C)([NH3+])C1 ZINC001221240970 780408187 /nfs/dbraw/zinc/40/81/87/780408187.db2.gz JGQJIIGPDISGJG-CIOUSYIGSA-N 2 0 258.322 -2.193 20 0 CAADRP [NH3+][C@H](C(=O)NC1CN(C2COC2)C1)C1CC[NH2+]CC1 ZINC001221246085 780408522 /nfs/dbraw/zinc/40/85/22/780408522.db2.gz OUXXLDDGDCGHQC-LBPRGKRZSA-N 2 0 268.361 -1.488 20 0 CAADRP C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N[C@@]1(C)CCC[N@H+](C)C1 ZINC001221244180 780408723 /nfs/dbraw/zinc/40/87/23/780408723.db2.gz REYPQRNKDYRATL-KWBADKCTSA-N 2 0 286.376 -1.589 20 0 CAADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)N[C@@H]1CCOC[C@@H]1F ZINC001221244155 780408737 /nfs/dbraw/zinc/40/87/37/780408737.db2.gz QOSMHLUNLUBYLN-SDDRHHMPSA-N 2 0 288.367 -1.020 20 0 CAADRP C[N@@H+]1CC[C@@H](CNC(=O)CN(CC[NH3+])S(C)(=O)=O)C1 ZINC001221254171 780408872 /nfs/dbraw/zinc/40/88/72/780408872.db2.gz HWKZYJYJEQXDDK-JTQLQIEISA-N 2 0 292.405 -1.725 20 0 CAADRP C[N@@H+]1CC[C@@H](CNC(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)C1 ZINC001221254798 780409035 /nfs/dbraw/zinc/40/90/35/780409035.db2.gz TZCREBGYXOIEHU-WDEREUQCSA-N 2 0 252.362 -1.137 20 0 CAADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)NC1=CCOC1=O ZINC001221328812 780414733 /nfs/dbraw/zinc/41/47/33/780414733.db2.gz OJXURGDAOSVKDI-SECBINFHSA-N 2 0 268.317 -1.706 20 0 CAADRP [NH3+][C@H](C(=O)NC1=CC(=O)NCC1)C1CC[NH2+]CC1 ZINC001221316696 780414806 /nfs/dbraw/zinc/41/48/06/780414806.db2.gz MMTSUTIYMWJLTM-NSHDSACASA-N 2 0 252.318 -1.167 20 0 CAADRP O=C(NC1=CC(=O)NCC1)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001221317174 780414870 /nfs/dbraw/zinc/41/48/70/780414870.db2.gz YETJHSGVRJZLMM-SECBINFHSA-N 2 0 250.302 -1.685 20 0 CAADRP Nc1cn(C(=O)[C@H]([NH3+])C2CC[NH2+]CC2)c(N)nc1=O ZINC001221330224 780415070 /nfs/dbraw/zinc/41/50/70/780415070.db2.gz NLJSWZJCXWGMBX-MRVPVSSYSA-N 2 0 266.305 -1.383 20 0 CAADRP Nc1cn(C(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)c(N)nc1=O ZINC001221332119 780416520 /nfs/dbraw/zinc/41/65/20/780416520.db2.gz XQXKHFYGMHIULL-JMCQJSRRSA-N 2 0 278.316 -1.510 20 0 CAADRP O=C(N[C@@H]1C[NH2+]CC[C@H]1F)[C@H]1COC2(C[NH2+]C2)CN1 ZINC001221367306 780416994 /nfs/dbraw/zinc/41/69/94/780416994.db2.gz PMFGHTFPZUCHIE-OPRDCNLKSA-N 2 0 272.324 -1.867 20 0 CAADRP C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N[C@@H]1C[NH2+]CC[C@H]1F ZINC001221367619 780417210 /nfs/dbraw/zinc/41/72/10/780417210.db2.gz RKLYGURFJULZSY-UYXSQOIJSA-N 2 0 276.312 -2.373 20 0 CAADRP CC1(C)C(=O)NC[C@@H]1NC(=O)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001221367698 780417628 /nfs/dbraw/zinc/41/76/28/780417628.db2.gz AJVKZMCBVYKTHP-BDAKNGLRSA-N 2 0 266.345 -1.564 20 0 CAADRP O=C(N[C@@H]1C[NH2+]CC[C@H]1F)[C@]12C[NH2+]C[C@H]1CCN2 ZINC001221368004 780417678 /nfs/dbraw/zinc/41/76/78/780417678.db2.gz VPLRXQALYKMYNK-BFLSOPEQSA-N 2 0 256.325 -1.246 20 0 CAADRP O=C(N[C@@H]1C[NH2+]CC[C@H]1F)[C@]12C[NH2+]C[C@@H]1CCN2 ZINC001221368009 780417740 /nfs/dbraw/zinc/41/77/40/780417740.db2.gz VPLRXQALYKMYNK-XNDJQWLSSA-N 2 0 256.325 -1.246 20 0 CAADRP [NH3+]CCCCNC(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001221348933 780417757 /nfs/dbraw/zinc/41/77/57/780417757.db2.gz MDOSEDRSMRBCMZ-NSHDSACASA-N 3 0 257.382 -1.408 20 0 CAADRP CC1(C)C(=O)NC[C@H]1NC(=O)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001221367701 780417791 /nfs/dbraw/zinc/41/77/91/780417791.db2.gz AJVKZMCBVYKTHP-RKDXNWHRSA-N 2 0 266.345 -1.564 20 0 CAADRP CC[C@@H](CO)NC(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001221377455 780418472 /nfs/dbraw/zinc/41/84/72/780418472.db2.gz PERLOYSEQYVHHK-QWRGUYRKSA-N 2 0 258.366 -1.376 20 0 CAADRP CC[C@H](CO)NC(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001221377453 780418603 /nfs/dbraw/zinc/41/86/03/780418603.db2.gz PERLOYSEQYVHHK-GHMZBOCLSA-N 2 0 258.366 -1.376 20 0 CAADRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)C[C@@H](O)C[NH3+] ZINC001221389891 780419041 /nfs/dbraw/zinc/41/90/41/780419041.db2.gz NIUVLUNAVMTDCE-SECBINFHSA-N 3 0 259.354 -1.240 20 0 CAADRP CC1(C)C(=O)NC[C@H]1NC(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001221370028 780419223 /nfs/dbraw/zinc/41/92/23/780419223.db2.gz ORPHRXVCJIXFSL-GHMZBOCLSA-N 2 0 297.403 -1.622 20 0 CAADRP [NH3+]CCSC[C@H]([NH3+])C(=O)NC[C@@H]1CNC(=O)O1 ZINC001221371497 780419250 /nfs/dbraw/zinc/41/92/50/780419250.db2.gz YLKKBNQGOHHZBX-RQJHMYQMSA-N 2 0 262.335 -1.770 20 0 CAADRP [NH3+][C@@H](C(=O)NC[C@H]1CNC(=O)O1)C1CC[NH2+]CC1 ZINC001221370796 780419436 /nfs/dbraw/zinc/41/94/36/780419436.db2.gz UIVVVIVEOASPGY-DTWKUNHWSA-N 2 0 256.306 -1.462 20 0 CAADRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)CN1CC[NH2+]CC1 ZINC001221390644 780419980 /nfs/dbraw/zinc/41/99/80/780419980.db2.gz RQXGXONBMIRJKP-UHFFFAOYSA-N 3 0 284.408 -1.045 20 0 CAADRP C[NH+]1CCC(CO)(NC(=O)[C@@]23CC[C@@H](N2)[C@H]([NH3+])C3)CC1 ZINC001221403058 780420119 /nfs/dbraw/zinc/42/01/19/780420119.db2.gz PGIHXOFVAXSTPU-GYSYKLTISA-N 2 0 282.388 -1.219 20 0 CAADRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)C[C@H](N)C(=O)OC ZINC001221391019 780420205 /nfs/dbraw/zinc/42/02/05/780420205.db2.gz USKPAZXRHAPYDQ-VIFPVBQESA-N 2 0 287.364 -1.059 20 0 CAADRP C[NH+]1CCC(CO)(NC(=O)[C@H]2[NH2+]CC[C@H]2O)CC1 ZINC001221407501 780420283 /nfs/dbraw/zinc/42/02/83/780420283.db2.gz ZGZKRFYOWADEMO-ZJUUUORDSA-N 2 0 257.334 -1.718 20 0 CAADRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)[C@@]1(N)CC[NH2+]C1 ZINC001221390546 780420430 /nfs/dbraw/zinc/42/04/30/780420430.db2.gz DXDWCVRYLXXGQM-GFCCVEGCSA-N 3 0 270.381 -1.259 20 0 CAADRP C[NH+]1CCC(CO)(NC(=O)[C@H]([NH3+])Cc2cnc[nH]2)CC1 ZINC001221402420 780420437 /nfs/dbraw/zinc/42/04/37/780420437.db2.gz GVCHNYGQDFWOKE-LLVKDONJSA-N 2 0 281.360 -1.148 20 0 CAADRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)C[C@H](O)C[NH3+] ZINC001221389892 780420466 /nfs/dbraw/zinc/42/04/66/780420466.db2.gz NIUVLUNAVMTDCE-VIFPVBQESA-N 3 0 259.354 -1.240 20 0 CAADRP CC(C)N(C(=O)[C@H](C)NC(=O)[C@@H]([NH3+])CO)C(C)(C)C[NH3+] ZINC001221394782 780420492 /nfs/dbraw/zinc/42/04/92/780420492.db2.gz HPYCRSBOOPGNFY-UWVGGRQHSA-N 2 0 288.392 -1.215 20 0 CAADRP C[NH+]1CCC(CO)(NC(=O)CNC2CC[NH2+]CC2)CC1 ZINC001221402610 780420600 /nfs/dbraw/zinc/42/06/00/780420600.db2.gz JQCFEYRSTOTRQA-UHFFFAOYSA-N 2 0 284.404 -1.099 20 0 CAADRP C[NH+]1CCC(CO)(NC(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)CC1 ZINC001221403529 780420632 /nfs/dbraw/zinc/42/06/32/780420632.db2.gz VDCDYMJYFWRESS-NSHDSACASA-N 3 0 282.388 -1.632 20 0 CAADRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)[C@H]1C[NH2+]C[C@@H]1N ZINC001221392370 780420636 /nfs/dbraw/zinc/42/06/36/780420636.db2.gz UZANCRIFOPJNBG-UWVGGRQHSA-N 3 0 270.381 -1.403 20 0 CAADRP C[NH+]1CCC(CO)(NC(=O)[C@H]2C[NH2+]C[C@@H]2N)CC1 ZINC001221403588 780420696 /nfs/dbraw/zinc/42/06/96/780420696.db2.gz CKBOCRZDZNLMIO-UWVGGRQHSA-N 2 0 256.350 -1.894 20 0 CAADRP C[NH+]1CCC(CO)(NC(=O)[C@]2(N)CCC[NH2+]C2)CC1 ZINC001221403464 780420748 /nfs/dbraw/zinc/42/07/48/780420748.db2.gz SYWMZBLWMJPOMP-ZDUSSCGKSA-N 2 0 270.377 -1.360 20 0 CAADRP C[NH+]1CCC(CO)(NC(=O)[C@H]2C[NH2+]C[C@H]2O)CC1 ZINC001221402697 780420754 /nfs/dbraw/zinc/42/07/54/780420754.db2.gz KLPCCATUPFEDGN-VHSXEESVSA-N 2 0 257.334 -1.860 20 0 CAADRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)[C@@H]1C[C@H](O)C[NH2+]1 ZINC001221391671 780420766 /nfs/dbraw/zinc/42/07/66/780420766.db2.gz ZJSWSJKGGRIKKS-UWVGGRQHSA-N 3 0 271.365 -1.227 20 0 CAADRP C[NH+]1CCC(CO)(NC(=O)[C@H]2[NH2+]CC[C@@H]2O)CC1 ZINC001221407500 780420796 /nfs/dbraw/zinc/42/07/96/780420796.db2.gz ZGZKRFYOWADEMO-UWVGGRQHSA-N 2 0 257.334 -1.718 20 0 CAADRP Cc1nnc(CNC(=O)[C@@H]([NH3+])CSCC[NH3+])[nH]1 ZINC001221410813 780422431 /nfs/dbraw/zinc/42/24/31/780422431.db2.gz ZVDFQEXFYRHWMR-ZETCQYMHSA-N 2 0 258.351 -1.251 20 0 CAADRP C[N@@H+]1CCC[C@H]2[C@H]1CCN2C(=O)CNC(=O)C[NH3+] ZINC000720880590 780432293 /nfs/dbraw/zinc/43/22/93/780432293.db2.gz PGZVWDSBBQGWPV-ZJUUUORDSA-N 2 0 254.334 -1.244 20 0 CAADRP C[N@@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)CNC(=O)C[NH3+] ZINC000720880587 780432489 /nfs/dbraw/zinc/43/24/89/780432489.db2.gz PGZVWDSBBQGWPV-NXEZZACHSA-N 2 0 254.334 -1.244 20 0 CAADRP [NH3+]CCS(=O)(=O)NC[C@@H]1CC[C@@H]2[NH2+]CCO[C@@H]12 ZINC001238329401 780517451 /nfs/dbraw/zinc/51/74/51/780517451.db2.gz XTEGGLRNJSSSIZ-GUBZILKMSA-N 2 0 263.363 -1.369 20 0 CAADRP CC1(C)[NH2+]C[C@@H](CN2CCNC(=O)C23C[NH2+]C3)O1 ZINC001235072069 780488402 /nfs/dbraw/zinc/48/84/02/780488402.db2.gz ZKSOPIMZPBUGBL-VIFPVBQESA-N 2 0 254.334 -1.515 20 0 CAADRP O=C1CC[C@H](CN2CC[NH2+]CCNCC[NH2+]CC2)N1 ZINC001235864572 780493391 /nfs/dbraw/zinc/49/33/91/780493391.db2.gz JFUPEMTWBANVNK-GFCCVEGCSA-N 2 0 269.393 -1.651 20 0 CAADRP [NH3+]CCN(CC[NH3+])Cc1cnc2n1CC[NH2+]CC2 ZINC001235876702 780493554 /nfs/dbraw/zinc/49/35/54/780493554.db2.gz HUMFOCJNJVPXOV-UHFFFAOYSA-N 3 0 252.366 -1.252 20 0 CAADRP O=c1ccc(CN2CC[NH2+]CCNCC[NH2+]CC2)n[nH]1 ZINC001235871170 780494986 /nfs/dbraw/zinc/49/49/86/780494986.db2.gz QYAMBLJCKWOQFU-UHFFFAOYSA-N 2 0 280.376 -1.233 20 0 CAADRP c1n[nH]nc1CN1CC[NH2+]CCNCC[NH2+]CC1 ZINC001235870139 780495013 /nfs/dbraw/zinc/49/50/13/780495013.db2.gz OAOAYNMWHNIGTB-UHFFFAOYSA-N 2 0 253.354 -1.611 20 0 CAADRP c1c[nH]c(CN2CC[NH2+]CCNCC[NH2+]CC2)n1 ZINC001235870989 780495029 /nfs/dbraw/zinc/49/50/29/780495029.db2.gz QPBGLBROKKFLND-UHFFFAOYSA-N 2 0 252.366 -1.006 20 0 CAADRP COC(=O)[C@@H]1C[C@H]([NH3+])CN1CC[C@@H]1C[NH2+]CCO1 ZINC001236197324 780495201 /nfs/dbraw/zinc/49/52/01/780495201.db2.gz QJFHOQRNZLQSDW-AXFHLTTASA-N 2 0 257.334 -1.061 20 0 CAADRP COC(=O)[C@@H]1C[NH2+]CCN1CC[C@H]1C[NH2+]CCO1 ZINC001236053218 780495474 /nfs/dbraw/zinc/49/54/74/780495474.db2.gz REDFMDRYWBDPRI-QWRGUYRKSA-N 2 0 257.334 -1.188 20 0 CAADRP C([C@@H]1C[NH2+]CCO1)N1CC[NH2+]CCNCC[NH2+]CC1 ZINC001235871471 780495639 /nfs/dbraw/zinc/49/56/39/780495639.db2.gz UKDLQZCJLXHSHR-ZDUSSCGKSA-N 3 0 271.409 -1.941 20 0 CAADRP Cn1c(CN2CC[NH2+]CCNCC[NH2+]CC2)cccc1=O ZINC001235874591 780495671 /nfs/dbraw/zinc/49/56/71/780495671.db2.gz LDJWYENHAFQRLS-UHFFFAOYSA-N 2 0 293.415 -1.030 20 0 CAADRP Cn1nncc1CN1CC[NH2+]CCNCC[NH2+]CC1 ZINC001235873567 780495699 /nfs/dbraw/zinc/49/56/99/780495699.db2.gz IGEXLKFQXCCGDD-UHFFFAOYSA-N 2 0 267.381 -1.601 20 0 CAADRP Nc1cnc(CN2CC[NH2+]CCNCC[NH2+]CC2)cn1 ZINC001235872921 780495703 /nfs/dbraw/zinc/49/57/03/780495703.db2.gz BSKUXIKSGSFHFE-UHFFFAOYSA-N 2 0 279.392 -1.357 20 0 CAADRP Cn1cc(C[N@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])c(=O)n(C)c1=O ZINC001235998887 780495740 /nfs/dbraw/zinc/49/57/40/780495740.db2.gz QUPRFWWSXWPCEB-FOSCPWQOSA-N 2 0 294.355 -1.511 20 0 CAADRP [NH3+]CCCNC(=O)CN(CCC[NH3+])C[C@@H]1CC[NH2+]1 ZINC001236307398 780496396 /nfs/dbraw/zinc/49/63/96/780496396.db2.gz BLFRXCOGZIPBDV-NSHDSACASA-N 3 0 257.382 -1.536 20 0 CAADRP [NH3+]CCCNC(=O)CN(CCC[NH3+])C[C@H]1COCC[NH2+]1 ZINC001236307557 780496480 /nfs/dbraw/zinc/49/64/80/780496480.db2.gz CIEPTFCBFLJMPP-LBPRGKRZSA-N 3 0 287.408 -1.909 20 0 CAADRP CC[NH2+]CCN(CCC[NH3+])CC(=O)NCCC[NH3+] ZINC001236309633 780496613 /nfs/dbraw/zinc/49/66/13/780496613.db2.gz ODUWLXHLTXFOKU-UHFFFAOYSA-N 3 0 259.398 -1.288 20 0 CAADRP [NH3+]CCCCN(CCC[NH3+])CC(=O)NCCC[NH3+] ZINC001236310393 780496875 /nfs/dbraw/zinc/49/68/75/780496875.db2.gz YEVXMOMWLKGIEE-UHFFFAOYSA-N 3 0 259.398 -1.159 20 0 CAADRP C[NH2+]CCCN(CCC[NH3+])CC(=O)NCCC[NH3+] ZINC001236310455 780496985 /nfs/dbraw/zinc/49/69/85/780496985.db2.gz ZAJRTKQHVJAWME-UHFFFAOYSA-N 3 0 259.398 -1.288 20 0 CAADRP C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](CO)[NH2+]CCCO ZINC001278054827 780502430 /nfs/dbraw/zinc/50/24/30/780502430.db2.gz WUOOKRVPAPDUKX-QWRGUYRKSA-N 2 0 259.350 -1.470 20 0 CAADRP O=C(NC[C@H](CO)[NH2+]CCCO)[C@H]1C[NH+]2CCC1CC2 ZINC001278085051 780505140 /nfs/dbraw/zinc/50/51/40/780505140.db2.gz JMWQAQUGOSNKAQ-OLZOCXBDSA-N 2 0 285.388 -1.223 20 0 CAADRP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H](CO)[NH2+]CCO ZINC001278139977 780509336 /nfs/dbraw/zinc/50/93/36/780509336.db2.gz XBCZFXWNVTZWGJ-QWRGUYRKSA-N 2 0 259.350 -1.470 20 0 CAADRP C[NH+]1CCC(C(=O)NC[C@@H](CO)[NH2+]CCCO)CC1 ZINC001278147962 780510166 /nfs/dbraw/zinc/51/01/66/780510166.db2.gz PBFRBVXFTFASOC-LBPRGKRZSA-N 2 0 273.377 -1.223 20 0 CAADRP O=S(=O)(CC1CC[NH2+]CC1)NC[C@H]1C[NH2+]C[C@H]1O ZINC001238157748 780514183 /nfs/dbraw/zinc/51/41/83/780514183.db2.gz NDEOXUNTAIZLCY-GHMZBOCLSA-N 2 0 277.390 -1.514 20 0 CAADRP O=S(=O)(CC1CC[NH2+]CC1)N[C@H]1C[NH2+]C[C@@H]1O ZINC001238124530 780514939 /nfs/dbraw/zinc/51/49/39/780514939.db2.gz WRBPSVKQODZAHS-UWVGGRQHSA-N 2 0 263.363 -1.762 20 0 CAADRP [NH3+]CCS(=O)(=O)NCCC[NH+](CCO)CCO ZINC001238366816 780517483 /nfs/dbraw/zinc/51/74/83/780517483.db2.gz FNRVRAMNICUADD-UHFFFAOYSA-N 2 0 269.367 -2.459 20 0 CAADRP COC(=O)[C@H](CCCC[NH3+])NS(=O)(=O)[C@@H]1CC[NH2+]C1 ZINC001238355275 780517535 /nfs/dbraw/zinc/51/75/35/780517535.db2.gz FHDFNWRKKUCEHU-ZJUUUORDSA-N 2 0 293.389 -1.062 20 0 CAADRP [NH3+]CCS(=O)(=O)NC[C@@H]1CC[C@H]2[NH2+]CCO[C@H]21 ZINC001238329400 780517641 /nfs/dbraw/zinc/51/76/41/780517641.db2.gz XTEGGLRNJSSSIZ-AEJSXWLSSA-N 2 0 263.363 -1.369 20 0 CAADRP [NH3+]CCS(=O)(=O)NC[C@@H]1CO[C@@]2(C1)C[NH2+]CCOC2 ZINC001238328691 780517823 /nfs/dbraw/zinc/51/78/23/780517823.db2.gz TUDDUMBIVKODEL-MNOVXSKESA-N 2 0 293.389 -1.740 20 0 CAADRP O=C1C[C@H]2[NH2+]CC[C@@]2(NS(=O)(=O)C2CC[NH2+]CC2)N1 ZINC001238331208 780517903 /nfs/dbraw/zinc/51/79/03/780517903.db2.gz NDRLPXURGOHSKE-KOLCDFICSA-N 2 0 288.373 -1.764 20 0 CAADRP O=S(=O)(CC1CC[NH2+]CC1)N[C@@H]1C[NH2+]C[C@@H]1CO ZINC001238642697 780520125 /nfs/dbraw/zinc/52/01/25/780520125.db2.gz BTBAACXQLOLJAV-GHMZBOCLSA-N 2 0 277.390 -1.514 20 0 CAADRP NC(=O)[C@@H]([NH3+])CCCCNS(=O)(=O)C1CC[NH2+]CC1 ZINC001238836712 780522663 /nfs/dbraw/zinc/52/26/63/780522663.db2.gz PBBSJKQXPXJISB-JTQLQIEISA-N 2 0 292.405 -1.359 20 0 CAADRP CCOC(=O)C1=C(NS(=O)(=O)CC[NH3+])C[NH2+]C1 ZINC001238781118 780522884 /nfs/dbraw/zinc/52/28/84/780522884.db2.gz PJIPQHAEPCZTRX-UHFFFAOYSA-N 2 0 263.319 -1.715 20 0 CAADRP [NH3+]CCS(=O)(=O)N[C@@H]1CCN(C2CC[NH2+]CC2)C1 ZINC001238812874 780523006 /nfs/dbraw/zinc/52/30/06/780523006.db2.gz QQWOKLYVCNMAHP-SNVBAGLBSA-N 2 0 276.406 -1.309 20 0 CAADRP COC(=O)[C@@H]1C[NH2+]CC[C@@H]1NS(=O)(=O)CC[NH3+] ZINC001238714874 780523399 /nfs/dbraw/zinc/52/33/99/780523399.db2.gz YNBNYCHAVZUQNH-SFYZADRCSA-N 2 0 265.335 -1.984 20 0 CAADRP COC(=O)CC1(NS(=O)(=O)CC[NH3+])CC[NH2+]CC1 ZINC001238807213 780523467 /nfs/dbraw/zinc/52/34/67/780523467.db2.gz DUVAKXBWIXIRGQ-UHFFFAOYSA-N 2 0 279.362 -1.450 20 0 CAADRP [NH3+]CCOCCNS(=O)(=O)CC1CC[NH2+]CC1 ZINC001238808721 780523481 /nfs/dbraw/zinc/52/34/81/780523481.db2.gz SCJRNQVOQZYZNE-UHFFFAOYSA-N 2 0 265.379 -1.119 20 0 CAADRP O=S(=O)([C@H]1CC[NH2+]C1)N1CCNC[C@@]12CC[NH2+]C2 ZINC001239028336 780528405 /nfs/dbraw/zinc/52/84/05/780528405.db2.gz YGSOOIGOGCIZBF-QWRGUYRKSA-N 2 0 274.390 -1.685 20 0 CAADRP O=S(=O)(CC1CC[NH2+]CC1)N1CCOCC12C[NH2+]C2 ZINC001239027445 780528491 /nfs/dbraw/zinc/52/84/91/780528491.db2.gz UTOLRUZCOYKXHF-UHFFFAOYSA-N 2 0 289.401 -1.010 20 0 CAADRP O=S(=O)([C@@H]1CC[NH2+]C1)N1CCN[C@@]2(CC[NH2+]C2)C1 ZINC001239030164 780528619 /nfs/dbraw/zinc/52/86/19/780528619.db2.gz DPJHWOUPTRNRCB-GHMZBOCLSA-N 2 0 274.390 -1.685 20 0 CAADRP [NH3+]CCS(=O)(=O)N1CCNC[C@]2(CCCC[NH2+]2)C1 ZINC001239016882 780528661 /nfs/dbraw/zinc/52/86/61/780528661.db2.gz ZOCWAPFFTOTRPQ-LLVKDONJSA-N 2 0 276.406 -1.308 20 0 CAADRP CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1S(=O)(=O)CC[NH3+] ZINC001239060741 780528996 /nfs/dbraw/zinc/52/89/96/780528996.db2.gz CSIJSGHCVUGXEY-LPEHRKFASA-N 2 0 291.373 -1.500 20 0 CAADRP C[NH+](C)CCCN1CCN(S(=O)(=O)CC[NH3+])CC1 ZINC001239096530 780529671 /nfs/dbraw/zinc/52/96/71/780529671.db2.gz GWQBXWZMJVFZSD-UHFFFAOYSA-N 2 0 278.422 -1.156 20 0 CAADRP [NH3+]CCS(=O)(=O)N1CCN(CC[NH+]2CCCC2)CC1 ZINC001239101289 780529832 /nfs/dbraw/zinc/52/98/32/780529832.db2.gz HYEUGWXEQDIKHI-UHFFFAOYSA-N 2 0 290.433 -1.012 20 0 CAADRP COC(=O)[C@@H]1C[C@@H]([NH3+])CN1S(=O)(=O)CC[NH3+] ZINC001239098669 780529845 /nfs/dbraw/zinc/52/98/45/780529845.db2.gz FJUUJJDEXFGXAB-RQJHMYQMSA-N 2 0 251.308 -2.151 20 0 CAADRP [NH3+]CCN(CC[NH3+])S(=O)(=O)C1CC[NH2+]CC1 ZINC001239096223 780529889 /nfs/dbraw/zinc/52/98/89/780529889.db2.gz FKTWCKQTJUSONF-UHFFFAOYSA-N 3 0 250.368 -1.712 20 0 CAADRP [NH3+]CCS(=O)(=O)N1CCC[C@@H](N2CC([NH3+])C2)C1 ZINC001239113085 780531287 /nfs/dbraw/zinc/53/12/87/780531287.db2.gz OOLXRMAHCGGCGU-SNVBAGLBSA-N 2 0 262.379 -1.618 20 0 CAADRP CN(CCN1CC[NH2+]CC1)S(=O)(=O)CC[NH3+] ZINC001239114048 780531327 /nfs/dbraw/zinc/53/13/27/780531327.db2.gz SEWHFUJLSVMBCP-UHFFFAOYSA-N 2 0 250.368 -1.888 20 0 CAADRP [NH3+]CCS(=O)(=O)N1CCC[C@@H](N2CC(C[NH3+])C2)C1 ZINC001239114034 780531409 /nfs/dbraw/zinc/53/14/09/780531409.db2.gz RJESMLONMPHSJR-LLVKDONJSA-N 2 0 276.406 -1.370 20 0 CAADRP [NH3+]CCS(=O)(=O)N1CCC[C@H](N2CC([NH3+])C2)C1 ZINC001239113084 780531423 /nfs/dbraw/zinc/53/14/23/780531423.db2.gz OOLXRMAHCGGCGU-JTQLQIEISA-N 2 0 262.379 -1.618 20 0 CAADRP COC(=O)[C@@H]1C[C@H]([NH3+])CN1S(=O)(=O)[C@H]1CC[NH2+]C1 ZINC001239122420 780531474 /nfs/dbraw/zinc/53/14/74/780531474.db2.gz WMUFQGLDRMTIGA-CIUDSAMLSA-N 2 0 277.346 -1.747 20 0 CAADRP [NH3+]CCS(=O)(=O)N1CC(O)([C@H]2CCCC[NH2+]2)C1 ZINC001239119589 780531967 /nfs/dbraw/zinc/53/19/67/780531967.db2.gz GZZFJRFFYUKXGP-SECBINFHSA-N 2 0 263.363 -1.536 20 0 CAADRP CNC(=O)[C@H](CCCC[NH3+])NC(=S)NCC[NH3+] ZINC001239402571 780535625 /nfs/dbraw/zinc/53/56/25/780535625.db2.gz TYFHWGXFLRDDPW-QMMMGPOBSA-N 2 0 261.395 -1.347 20 0 CAADRP [NH3+]CCNC(=S)N1CCN[C@H]2CC[NH2+]CC[C@@H]21 ZINC001239421229 780535650 /nfs/dbraw/zinc/53/56/50/780535650.db2.gz AOVBGHPHDSSPSX-UWVGGRQHSA-N 2 0 257.407 -1.155 20 0 CAADRP NC(=O)[C@@H]([NH3+])CCCC[NH2+]C[C@@]1(O)CCC[NH2+]C1 ZINC001246004992 780539614 /nfs/dbraw/zinc/53/96/14/780539614.db2.gz CNRUZFPQKSWWCV-JQWIXIFHSA-N 3 0 258.366 -1.327 20 0 CAADRP O[C@@H](CN[C@H]1CC12C[NH2+]C2)CC1(O)CC[NH2+]CC1 ZINC001246010355 780538934 /nfs/dbraw/zinc/53/89/34/780538934.db2.gz MTSLAGXJTPUARV-MNOVXSKESA-N 2 0 255.362 -1.197 20 0 CAADRP COC(=O)[C@H](O)CNC[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001245984741 780538979 /nfs/dbraw/zinc/53/89/79/780538979.db2.gz JVBVWWRCRJHHEI-GHMZBOCLSA-N 2 0 271.361 -1.016 20 0 CAADRP O=C1C[C@@H]2[NH2+]CC[C@@]2(NC[C@@]2(O)CCC[NH2+]C2)N1 ZINC001245985697 780539089 /nfs/dbraw/zinc/53/90/89/780539089.db2.gz SJYBLMXEOXWDMY-MVWJERBFSA-N 2 0 254.334 -1.731 20 0 CAADRP COC(=O)[C@H](CCC[NH3+])NC[C@]1(O)CCC[NH2+]C1 ZINC001246010758 780539159 /nfs/dbraw/zinc/53/91/59/780539159.db2.gz ZYJCTUCUBLWBIS-JQWIXIFHSA-N 2 0 259.350 -1.029 20 0 CAADRP CCOC(=O)[C@H](N)C[NH2+]C[C@@H](O)CC1(O)CC[NH2+]CC1 ZINC001246005178 780539232 /nfs/dbraw/zinc/53/92/32/780539232.db2.gz DDEKOGDPJBBAAX-WDEREUQCSA-N 2 0 289.376 -1.668 20 0 CAADRP NC(=O)[C@@H]([NH3+])CCCC[NH2+]C[C@]1(O)CCC[NH2+]C1 ZINC001246004966 780539283 /nfs/dbraw/zinc/53/92/83/780539283.db2.gz CNRUZFPQKSWWCV-CMPLNLGQSA-N 3 0 258.366 -1.327 20 0 CAADRP [NH3+]C[C@]1(O)CCC[N@H+](C[C@H](O)CN2CCOCC2)CC1 ZINC001246021260 780539556 /nfs/dbraw/zinc/53/95/56/780539556.db2.gz NLVRGHWSUOROQP-KBPBESRZSA-N 2 0 287.404 -1.145 20 0 CAADRP O=C1C[C@@H]2[NH2+]CC[C@@]2(NCC2(O)CC[NH2+]CC2)N1 ZINC001245987240 780539570 /nfs/dbraw/zinc/53/95/70/780539570.db2.gz XZWZFCMLAPBKLH-JOYOIKCWSA-N 2 0 254.334 -1.731 20 0 CAADRP CNC(=O)[C@H](CCCC[NH3+])NC[C@]1(O)CC[NH2+]C1 ZINC001246018043 780539692 /nfs/dbraw/zinc/53/96/92/780539692.db2.gz FGYQILXDLVGQLU-JQWIXIFHSA-N 2 0 258.366 -1.456 20 0 CAADRP [NH3+]C[C@]1(O)CCC[N@H+](C[C@@H](O)CN2CCOCC2)CC1 ZINC001246021264 780539782 /nfs/dbraw/zinc/53/97/82/780539782.db2.gz NLVRGHWSUOROQP-KGLIPLIRSA-N 2 0 287.404 -1.145 20 0 CAADRP [NH3+][C@@H](Cc1ccccc1)[C@H](O)CN1C[C@@H]([NH3+])[C@H](O)C1 ZINC001246018627 780539800 /nfs/dbraw/zinc/53/98/00/780539800.db2.gz GANSZQGJRWMBRH-REWJHTLYSA-N 2 0 265.357 -1.079 20 0 CAADRP O[C@H](C[NH2+]C1CN(C2CC[NH2+]CC2)C1)CN1CCOCC1 ZINC001245987129 780539806 /nfs/dbraw/zinc/53/98/06/780539806.db2.gz CFUBSXYSEPVIKX-OAHLLOKOSA-N 2 0 298.431 -1.295 20 0 CAADRP CNC(=O)[C@H](CCCC[NH3+])NC[C@@]1(O)CC[NH2+]C1 ZINC001246018037 780539982 /nfs/dbraw/zinc/53/99/82/780539982.db2.gz FGYQILXDLVGQLU-CMPLNLGQSA-N 2 0 258.366 -1.456 20 0 CAADRP O[C@@]1(CN2CCN[C@@]3(CC[NH2+]C3)C2)CCC[NH2+]C1 ZINC001246028456 780540565 /nfs/dbraw/zinc/54/05/65/780540565.db2.gz SCCSVZACPWORLF-OLZOCXBDSA-N 2 0 254.378 -1.262 20 0 CAADRP [NH3+]C[C@@]1(O)CCC[N@H+](C[C@H](O)CN2CCOCC2)CC1 ZINC001246021266 780540751 /nfs/dbraw/zinc/54/07/51/780540751.db2.gz NLVRGHWSUOROQP-UONOGXRCSA-N 2 0 287.404 -1.145 20 0 CAADRP [NH3+][C@@H]1CCN(C[C@H](O)CC2(O)CC[NH2+]CC2)C[C@H]1O ZINC001246027732 780541082 /nfs/dbraw/zinc/54/10/82/780541082.db2.gz YMBHTCMNVLDBLU-IJLUTSLNSA-N 2 0 273.377 -1.754 20 0 CAADRP [NH3+][C@@H]1CCN(C[C@@H](O)CC2(O)CC[NH2+]CC2)C[C@H]1O ZINC001246027744 780541129 /nfs/dbraw/zinc/54/11/29/780541129.db2.gz YMBHTCMNVLDBLU-QJPTWQEYSA-N 2 0 273.377 -1.754 20 0 CAADRP O[C@@]1(C[N@@H+]2CCNC3(CC[NH2+]CC3)C2)CC[NH2+]C1 ZINC001246028684 780541182 /nfs/dbraw/zinc/54/11/82/780541182.db2.gz KCSSQRZGPQTLDZ-ZDUSSCGKSA-N 3 0 254.378 -1.262 20 0 CAADRP [NH3+][C@]12C[C@H]1CN(C[C@@H](O)CC1(O)CC[NH2+]CC1)C2 ZINC001246048547 780541204 /nfs/dbraw/zinc/54/12/04/780541204.db2.gz YTOQVTVXHWCEGE-GVXVVHGQSA-N 2 0 255.362 -1.115 20 0 CAADRP O[C@@]1(CN2CCN[C@]3(CC[NH2+]C3)C2)CCC[NH2+]C1 ZINC001246028462 780541265 /nfs/dbraw/zinc/54/12/65/780541265.db2.gz SCCSVZACPWORLF-STQMWFEESA-N 2 0 254.378 -1.262 20 0 CAADRP O[C@H](CN1CCN[C@@]2(CC[NH2+]C2)C1)CC1(O)CC[NH2+]CC1 ZINC001246023449 780541338 /nfs/dbraw/zinc/54/13/38/780541338.db2.gz DQOFPLGZAPREJS-UONOGXRCSA-N 2 0 298.431 -1.511 20 0 CAADRP [NH3+]C[C@@]1(O)CCCC[N@H+](C[C@@H](O)CN2CCOCC2)C1 ZINC001246022421 780541547 /nfs/dbraw/zinc/54/15/47/780541547.db2.gz NUWHUEKWCXHDEH-KBPBESRZSA-N 2 0 287.404 -1.145 20 0 CAADRP O[C@]1(C[N@@H+]2CCNC3(CC[NH2+]CC3)C2)CC[NH2+]C1 ZINC001246028671 780541632 /nfs/dbraw/zinc/54/16/32/780541632.db2.gz KCSSQRZGPQTLDZ-CYBMUJFWSA-N 3 0 254.378 -1.262 20 0 CAADRP O[C@H](CN1CCNC[C@@]12CC[NH2+]C2)CC1(O)CC[NH2+]CC1 ZINC001246024299 780541687 /nfs/dbraw/zinc/54/16/87/780541687.db2.gz DZROGQPBMVYMKV-KBPBESRZSA-N 2 0 298.431 -1.511 20 0 CAADRP [NH3+]C[C@H]1C[N@H+](C[C@H](O)CN2CCOCC2)C[C@H]1O ZINC001246025961 780541858 /nfs/dbraw/zinc/54/18/58/780541858.db2.gz YNKZSTSLJHANPK-QJPTWQEYSA-N 2 0 259.350 -2.069 20 0 CAADRP O[C@]1(CN2CCNC[C@]23CC[NH2+]C3)CCC[NH2+]C1 ZINC001246025309 780541907 /nfs/dbraw/zinc/54/19/07/780541907.db2.gz HEDZHYOIHQDSPM-CHWSQXEVSA-N 2 0 254.378 -1.262 20 0 CAADRP CCCOC[C@H](O)CN1CC[NH2+]CCNCC[NH2+]CC1 ZINC001246057061 780542244 /nfs/dbraw/zinc/54/22/44/780542244.db2.gz RPASHFSTKFPUHX-CQSZACIVSA-N 2 0 288.436 -1.142 20 0 CAADRP O[C@H](CN1CC[NH2+]CCNCC[NH2+]CC1)C(F)(F)F ZINC001246057872 780542332 /nfs/dbraw/zinc/54/23/32/780542332.db2.gz SWVVWAWSVXZVGZ-SNVBAGLBSA-N 2 0 284.326 -1.006 20 0 CAADRP O[C@H](CN1C[C@@H]2C[NH2+]C[C@@H]21)CC1(O)CC[NH2+]CC1 ZINC001246053325 780542402 /nfs/dbraw/zinc/54/24/02/780542402.db2.gz NSQJFBZOSKTSLV-SRVKXCTJSA-N 2 0 255.362 -1.245 20 0 CAADRP COC(=O)[C@@H]1C[C@@H]([NH3+])CN1C[C@]1(O)CCC[NH2+]C1 ZINC001246060630 780542607 /nfs/dbraw/zinc/54/26/07/780542607.db2.gz CLQCHFRSOXXQHL-SCVCMEIPSA-N 2 0 257.334 -1.325 20 0 CAADRP COC(=O)[C@@H]1C[C@@H]([NH3+])CN1C[C@@]1(O)CCC[NH2+]C1 ZINC001246060625 780542629 /nfs/dbraw/zinc/54/26/29/780542629.db2.gz CLQCHFRSOXXQHL-JFGNBEQYSA-N 2 0 257.334 -1.325 20 0 CAADRP [NH3+]CCN(CC[NH3+])C[C@H](O)CC1(O)CC[NH2+]CC1 ZINC001246057973 780542672 /nfs/dbraw/zinc/54/26/72/780542672.db2.gz UAIFOENCGHPOPW-LLVKDONJSA-N 3 0 260.382 -1.929 20 0 CAADRP O=S1(=O)CC[C@@H]([NH2+]C[C@]2(O)CC[NH2+]C[C@@H]2F)C1 ZINC001246080979 780542906 /nfs/dbraw/zinc/54/29/06/780542906.db2.gz IAJZRJQCWFXDBT-KXUCPTDWSA-N 2 0 266.338 -1.174 20 0 CAADRP COC(=O)[C@@H]1C[NH2+]CCN1C[C@]1(O)CCC[NH2+]C1 ZINC001246049921 780542932 /nfs/dbraw/zinc/54/29/32/780542932.db2.gz SRYBJUVKCWBLON-JQWIXIFHSA-N 2 0 257.334 -1.452 20 0 CAADRP O=C(CC[NH2+][C@H]1CCNC2(C[NH2+]C2)C1)N1CCOCC1 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269.345 -1.142 20 0 CAADRP NC(=O)C1(C[NH2+][C@H]2CCNC3(C[NH2+]C3)C2)CCOCC1 ZINC001246095716 780543944 /nfs/dbraw/zinc/54/39/44/780543944.db2.gz RBUUDNNILYONAO-NSHDSACASA-N 2 0 282.388 -1.048 20 0 CAADRP O=S1(=O)CC[C@H]([NH2+][C@@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246091083 780544150 /nfs/dbraw/zinc/54/41/50/780544150.db2.gz BKGJRDVCAXSHBN-ZJUUUORDSA-N 2 0 259.375 -1.143 20 0 CAADRP C1NCC12OCC[C@H]2[NH2+][C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246122758 780544452 /nfs/dbraw/zinc/54/44/52/780544452.db2.gz COKYUFUNGPKTKM-GHMZBOCLSA-N 2 0 252.362 -1.199 20 0 CAADRP COC(=O)[C@@H]1CC[C@@H]([NH2+]CCN2CC[NH2+]CC2)CN1 ZINC001246119117 780544531 /nfs/dbraw/zinc/54/45/31/780544531.db2.gz BRSYXDHUWKGUCD-NEPJUHHUSA-N 2 0 270.377 -1.225 20 0 CAADRP COC(=O)[C@@H]1C[C@@H]([NH2+]CCC(=O)N2CC[NH2+]CC2)CN1 ZINC001246105567 780544543 /nfs/dbraw/zinc/54/45/43/780544543.db2.gz BOXFOAPOVMMTSD-MNOVXSKESA-N 2 0 284.360 -1.699 20 0 CAADRP COC(=O)[C@H]1C[C@H]([NH2+]C[C@]2(O)CC[NH2+]C[C@@H]2F)CN1 ZINC001246085034 780544562 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20 0 CAADRP O=S1(=O)CC[C@@H](N[C@H]2CCC[NH2+]C2)C12C[NH2+]C2 ZINC001246138815 780545176 /nfs/dbraw/zinc/54/51/76/780545176.db2.gz CASIJXQOQLOOKO-VHSXEESVSA-N 2 0 259.375 -1.143 20 0 CAADRP COC(=O)[C@@H]1C[C@@H]([NH2+]C[C@H]2C[C@@H]3C[NH2+]C[C@@H]3O2)CN1 ZINC001246134986 780545529 /nfs/dbraw/zinc/54/55/29/780545529.db2.gz WUXNFYKWEVTRTF-JCIQBVFBSA-N 2 0 269.345 -1.144 20 0 CAADRP C1[NH2+]CC12C[C@@H]([NH2+][C@@H]1CO[C@@H]3C[NH2+]C[C@H]13)CCN2 ZINC001246138690 780545351 /nfs/dbraw/zinc/54/53/51/780545351.db2.gz NSIQAUKYCQGTQZ-IRCOFANPSA-N 3 0 252.362 -1.343 20 0 CAADRP COC(=O)[C@H](CC[NH3+])N[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246153805 780545388 /nfs/dbraw/zinc/54/53/88/780545388.db2.gz NVZQXJPVCSLMTK-ZJUUUORDSA-N 2 0 256.350 -1.440 20 0 CAADRP C1[NH2+]CC12C[C@@H](N[C@H]1C[NH2+][C@@H]3CCO[C@@H]31)CCN2 ZINC001246149551 780545405 /nfs/dbraw/zinc/54/54/05/780545405.db2.gz CXINPKDISONYND-USZNOCQGSA-N 2 0 252.362 -1.201 20 0 CAADRP C([NH2+][C@@H]1CCNC2(C[NH2+]C2)C1)c1nnn2c1C[NH2+]CCC2 ZINC001246133572 780545477 /nfs/dbraw/zinc/54/54/77/780545477.db2.gz OLNGUVVRQSSJCD-LLVKDONJSA-N 3 0 291.403 -1.045 20 0 CAADRP C1[NH2+]CC12C[C@H]([NH2+][C@H]1CO[C@@H]3C[NH2+]C[C@H]13)CCN2 ZINC001246148195 780545602 /nfs/dbraw/zinc/54/56/02/780545602.db2.gz NSIQAUKYCQGTQZ-WISYIIOYSA-N 3 0 252.362 -1.343 20 0 CAADRP COC(=O)[C@@H]1C[C@H]([NH2+]C[C@H]2C[C@@H]3C[NH2+]C[C@@H]3O2)CN1 ZINC001246134987 780545637 /nfs/dbraw/zinc/54/56/37/780545637.db2.gz WUXNFYKWEVTRTF-LVEVGFFFSA-N 2 0 269.345 -1.144 20 0 CAADRP C1[NH2+]CC12C[C@H](N[C@@H]1C[NH2+][C@@H]3COC[C@H]13)CCN2 ZINC001246133915 780545723 /nfs/dbraw/zinc/54/57/23/780545723.db2.gz KTCFEQIORRHMPR-DDHJBXDOSA-N 2 0 252.362 -1.343 20 0 CAADRP O=C1C[C@H]2[NH2+]CC[C@@]2(NC2C[C@@H]3COC[C@H](C2)[NH2+]3)N1 ZINC001246144310 780545784 /nfs/dbraw/zinc/54/57/84/780545784.db2.gz KDWYZCDJEYUWJI-NOJOXAQASA-N 2 0 266.345 -1.327 20 0 CAADRP O=S1(=O)CC[C@@H](N[C@@H]2CCC[NH2+]C2)C12C[NH2+]C2 ZINC001246138812 780545807 /nfs/dbraw/zinc/54/58/07/780545807.db2.gz CASIJXQOQLOOKO-NXEZZACHSA-N 2 0 259.375 -1.143 20 0 CAADRP C1[NH2+]CC12C[C@H]([NH2+][C@@H]1CO[C@@H]3C[NH2+]C[C@H]13)CCN2 ZINC001246138688 780545980 /nfs/dbraw/zinc/54/59/80/780545980.db2.gz NSIQAUKYCQGTQZ-DDHJBXDOSA-N 3 0 252.362 -1.343 20 0 CAADRP COC(=O)[C@@H]1C[C@H]([NH2+][C@H]2CCNC3(C[NH2+]C3)C2)CN1 ZINC001246183757 780547002 /nfs/dbraw/zinc/54/70/02/780547002.db2.gz HUGTXHPMVDVJTH-DCAQKATOSA-N 2 0 268.361 -1.427 20 0 CAADRP O=C1C[C@@H]2[NH2+]CC[C@@]2(N[C@@H]2CCOC3(C[NH2+]C3)C2)N1 ZINC001246155392 780547038 /nfs/dbraw/zinc/54/70/38/780547038.db2.gz YFIITNIEYBUGRU-GBIKHYSHSA-N 2 0 266.345 -1.325 20 0 CAADRP COC(=O)[C@@H]1C[C@@H]([NH2+]CC2(O)CC[NH2+]CC2)CN1 ZINC001246171138 780547060 /nfs/dbraw/zinc/54/70/60/780547060.db2.gz BWVLARNCQAAHIF-ZJUUUORDSA-N 2 0 257.334 -1.406 20 0 CAADRP COC(=O)[C@@H]1C[C@@H]([NH2+]CCC2(O)CC[NH2+]CC2)CN1 ZINC001246188294 780547160 /nfs/dbraw/zinc/54/71/60/780547160.db2.gz RYNAGWJGFCHFLM-MNOVXSKESA-N 2 0 271.361 -1.016 20 0 CAADRP COC(=O)[C@@H]1C[C@H]([NH2+]CCC2(O)CC[NH2+]CC2)CN1 ZINC001246188295 780547322 /nfs/dbraw/zinc/54/73/22/780547322.db2.gz RYNAGWJGFCHFLM-QWRGUYRKSA-N 2 0 271.361 -1.016 20 0 CAADRP COC(=O)[C@@H]1C[C@@H](N(C(N)=[NH2+])C2CC[NH2+]CC2)CN1 ZINC001246192806 780547366 /nfs/dbraw/zinc/54/73/66/780547366.db2.gz CCBJMTRPPDTIPV-ZJUUUORDSA-N 2 0 269.349 -1.163 20 0 CAADRP O=C1CC[C@H]([NH2+][C@@H]2CCNC3(C[NH2+]C3)C2)C(=O)N1 ZINC001246188886 780547558 /nfs/dbraw/zinc/54/75/58/780547558.db2.gz XFEWIMDVEXAUQD-BDAKNGLRSA-N 2 0 252.318 -1.525 20 0 CAADRP O=C1C[C@@H]2[NH2+]CC[C@@]2(N[C@H]2CCNC3(C[NH2+]C3)C2)N1 ZINC001246154099 780547582 /nfs/dbraw/zinc/54/75/82/780547582.db2.gz SZCRFIQSHGNFCK-OUJBWJOFSA-N 2 0 265.361 -1.752 20 0 CAADRP COC(=O)[C@@H]1C[C@@H]([NH2+]C[C@H](O)C2CC[NH2+]CC2)CN1 ZINC001246225214 780548169 /nfs/dbraw/zinc/54/81/69/780548169.db2.gz CZILVSSABRJNRC-WOPDTQHZSA-N 2 0 271.361 -1.160 20 0 CAADRP O[C@@]1(C[NH2+][C@H]2CCNC3(C[NH2+]C3)C2)CCC[NH2+]C1 ZINC001246233047 780547949 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[NH2+]=C(NCCCC[NH3+])N[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246208822 780548564 /nfs/dbraw/zinc/54/85/64/780548564.db2.gz FKVPXFJWUOURND-JTQLQIEISA-N 3 0 254.382 -1.067 20 0 CAADRP COC(=O)[C@@H]1CC[C@H]([NH2+]C[C@]2(O)CC[NH2+]C2)CN1 ZINC001246214348 780548657 /nfs/dbraw/zinc/54/86/57/780548657.db2.gz HGWVKWMKQJMWFE-NHCYSSNCSA-N 2 0 257.334 -1.406 20 0 CAADRP COC(=O)[C@@H]1C[C@H]([NH2+]C[C@H](O)C2CC[NH2+]CC2)CN1 ZINC001246225212 780549012 /nfs/dbraw/zinc/54/90/12/780549012.db2.gz CZILVSSABRJNRC-SRVKXCTJSA-N 2 0 271.361 -1.160 20 0 CAADRP O=C1CO[C@H](C[NH2+][C@H]2CCNC3(C[NH2+]C3)C2)CN1 ZINC001246259159 780549269 /nfs/dbraw/zinc/54/92/69/780549269.db2.gz ZLXFCLZFLKVQSP-VHSXEESVSA-N 2 0 254.334 -1.815 20 0 CAADRP O=C1CO[C@@H](C[NH2+][C@H]2CCNC3(C[NH2+]C3)C2)CN1 ZINC001246259157 780549335 /nfs/dbraw/zinc/54/93/35/780549335.db2.gz ZLXFCLZFLKVQSP-UWVGGRQHSA-N 2 0 254.334 -1.815 20 0 CAADRP COC(=O)[C@@H]1CC[C@H]([NH2+]C[C@@]2(O)CCC[NH2+]C2)CN1 ZINC001246234799 780549507 /nfs/dbraw/zinc/54/95/07/780549507.db2.gz WOVKDVNGEKGSPN-GMXVVIOVSA-N 2 0 271.361 -1.016 20 0 CAADRP CN1CCN(C(=[NH2+])N[C@@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246236876 780549617 /nfs/dbraw/zinc/54/96/17/780549617.db2.gz ZJRDYHJHBPXVHS-LLVKDONJSA-N 2 0 266.393 -1.148 20 0 CAADRP COC(=O)[C@@H]1CC[C@@H]([NH2+]C[C@]2(O)CCC[NH2+]C2)CN1 ZINC001246234807 780549779 /nfs/dbraw/zinc/54/97/79/780549779.db2.gz WOVKDVNGEKGSPN-MDZLAQPJSA-N 2 0 271.361 -1.016 20 0 CAADRP COC(=O)[C@@H](C[NH3+])C[NH2+][C@H]1CC[C@@H](C(=O)OC)NC1 ZINC001246234458 780549818 /nfs/dbraw/zinc/54/98/18/780549818.db2.gz IGONFFMVKMYFGW-GUBZILKMSA-N 2 0 273.333 -1.383 20 0 CAADRP NC(=O)C1([NH2+][C@@H]2CCNC3(C[NH2+]C3)C2)CCOCC1 ZINC001246258506 780549997 /nfs/dbraw/zinc/54/99/97/780549997.db2.gz XGXBSJOODAUORV-SNVBAGLBSA-N 2 0 268.361 -1.296 20 0 CAADRP O=C1CO[C@@H](C[NH2+][C@@H]2CCNC3(C[NH2+]C3)C2)CN1 ZINC001246259161 780550179 /nfs/dbraw/zinc/55/01/79/780550179.db2.gz ZLXFCLZFLKVQSP-ZJUUUORDSA-N 2 0 254.334 -1.815 20 0 CAADRP CN1CCN(C(=O)CC[NH2+][C@@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246257852 780550191 /nfs/dbraw/zinc/55/01/91/780550191.db2.gz YDZGHFMAVNVXAQ-CYBMUJFWSA-N 2 0 295.431 -1.166 20 0 CAADRP [NH3+]CC1(N[C@H]2CCNC3(C[NH2+]C3)C2)CC[NH2+]CC1 ZINC001246236687 780550206 /nfs/dbraw/zinc/55/02/06/780550206.db2.gz QJJHITQGJDDMCB-NSHDSACASA-N 3 0 253.394 -1.249 20 0 CAADRP CN1CCN(C(=[NH2+])N[C@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246236878 780550215 /nfs/dbraw/zinc/55/02/15/780550215.db2.gz ZJRDYHJHBPXVHS-NSHDSACASA-N 2 0 266.393 -1.148 20 0 CAADRP CCOC(=O)[C@@H]1C[NH2+]C[C@H]1N[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246299372 780550575 /nfs/dbraw/zinc/55/05/75/780550575.db2.gz JOHAMTLIYDDHMA-QJPTWQEYSA-N 2 0 282.388 -1.179 20 0 CAADRP C[C@]1([NH2+][C@@H]2CCNC3(C[NH2+]C3)C2)CCC(=O)NC1=O ZINC001246291383 780550747 /nfs/dbraw/zinc/55/07/47/780550747.db2.gz SPFMVAILHUVXIN-SKDRFNHKSA-N 2 0 266.345 -1.135 20 0 CAADRP COC(=O)[C@@H]1C[C@@H]([NH2+]CCOCCOCC[NH3+])CN1 ZINC001246286400 780550853 /nfs/dbraw/zinc/55/08/53/780550853.db2.gz XJMHSBOZRKEXGM-MNOVXSKESA-N 2 0 275.349 -1.529 20 0 CAADRP C[C@@]1([NH2+][C@@H]2CCNC3(C[NH2+]C3)C2)CCC(=O)NC1=O ZINC001246291341 780551357 /nfs/dbraw/zinc/55/13/57/780551357.db2.gz SPFMVAILHUVXIN-BXKDBHETSA-N 2 0 266.345 -1.135 20 0 CAADRP OCC[C@]1(N[C@H]2CCNC3(C[NH2+]C3)C2)CC[NH2+]C1 ZINC001246297981 780551381 /nfs/dbraw/zinc/55/13/81/780551381.db2.gz YNJVYHKTJNWNHE-NWDGAFQWSA-N 2 0 254.378 -1.216 20 0 CAADRP COC(=O)[C@@H]1CC[C@@H]([NH2+]CCN(C)CC[NH3+])CN1 ZINC001246283791 780551422 /nfs/dbraw/zinc/55/14/22/780551422.db2.gz JEHPLKXKZGFWOE-MNOVXSKESA-N 2 0 258.366 -1.240 20 0 CAADRP OC[C@H]1C[NH2+]CC[C@H]1[NH2+][C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246323359 780551953 /nfs/dbraw/zinc/55/19/53/780551953.db2.gz WIHWPONDCBXZJC-IJLUTSLNSA-N 3 0 254.378 -1.360 20 0 CAADRP [NH3+]CCC[C@H]([NH2+][C@@H]1CCNC2(C[NH2+]C2)C1)C(=O)[O-] ZINC001246332404 780552107 /nfs/dbraw/zinc/55/21/07/780552107.db2.gz FQWUVHQLIKHATA-ZJUUUORDSA-N 2 0 256.350 -1.138 20 0 CAADRP O=C1C[C@@H](C[NH2+][C@@H]2CCNC3(C[NH2+]C3)C2)C(=O)N1 ZINC001246313715 780552274 /nfs/dbraw/zinc/55/22/74/780552274.db2.gz SKJNMUKTQLZCKI-DTWKUNHWSA-N 2 0 252.318 -1.667 20 0 CAADRP CCOC(=O)C1(N[C@@H]2CCNC3(C[NH2+]C3)C2)C[NH2+]C1 ZINC001246343076 780552386 /nfs/dbraw/zinc/55/23/86/780552386.db2.gz FBSZWVURTZLFGU-SNVBAGLBSA-N 2 0 268.361 -1.425 20 0 CAADRP CS(=O)(=O)N1CC[C@H]([NH2+][C@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246327542 780552467 /nfs/dbraw/zinc/55/24/67/780552467.db2.gz SNHDSOYYOYMHHR-QWRGUYRKSA-N 2 0 288.417 -1.296 20 0 CAADRP NC(=O)C[C@H]([NH2+][C@@H]1CCNC2(C[NH2+]C2)C1)C(N)=O ZINC001246445298 780553107 /nfs/dbraw/zinc/55/31/07/780553107.db2.gz WOTJVNJIUGNOEV-SFYZADRCSA-N 2 0 255.322 -2.601 20 0 CAADRP CC[C@]1(C(=O)OC)C[C@@H]([NH2+]CCNCC[NH3+])CN1 ZINC001246405408 780553249 /nfs/dbraw/zinc/55/32/49/780553249.db2.gz OMDAYNXMOMKPNN-ZYHUDNBSSA-N 2 0 258.366 -1.192 20 0 CAADRP COC(=O)[C@@H]1C[C@@H]([NH2+]CCCC[C@H]([NH3+])C(N)=O)CCN1 ZINC001246420086 780553532 /nfs/dbraw/zinc/55/35/32/780553532.db2.gz WNQSMGWZBQKRRM-DCAQKATOSA-N 2 0 286.376 -1.148 20 0 CAADRP CCOC(=O)[C@H](N)C[NH2+][C@H]1CCOC2(C[NH2+]C2)C1 ZINC001246414752 780553672 /nfs/dbraw/zinc/55/36/72/780553672.db2.gz BOZIAWMVROUUBP-VHSXEESVSA-N 2 0 257.334 -1.013 20 0 CAADRP NC(=O)C[C@H]([NH2+][C@H]1CCNC2(C[NH2+]C2)C1)C(N)=O ZINC001246445299 780554156 /nfs/dbraw/zinc/55/41/56/780554156.db2.gz WOTJVNJIUGNOEV-YUMQZZPRSA-N 2 0 255.322 -2.601 20 0 CAADRP NC(=O)[C@@H]([NH3+])CCCC[NH2+][C@H]1CCS(=O)(=O)C1 ZINC001246412423 780554051 /nfs/dbraw/zinc/55/40/51/780554051.db2.gz DBYYECLTMARBGO-IUCAKERBSA-N 2 0 263.363 -1.254 20 0 CAADRP CCOC(=O)[C@H](N)C[NH2+][C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246414827 780554067 /nfs/dbraw/zinc/55/40/67/780554067.db2.gz CFHAKOMCRCFLPE-VHSXEESVSA-N 2 0 256.350 -1.440 20 0 CAADRP COC(=O)[C@@H]1C[C@H]([NH2+]CCO[C@H]2CC[NH2+]C2)CN1 ZINC001246372188 780554258 /nfs/dbraw/zinc/55/42/58/780554258.db2.gz YKLHFJYABYQIRJ-DCAQKATOSA-N 2 0 257.334 -1.142 20 0 CAADRP COC(=O)[C@H](N[C@H]1CCNC2(C[NH2+]C2)C1)[C@H]1CC[NH2+]C1 ZINC001246499009 780554563 /nfs/dbraw/zinc/55/45/63/780554563.db2.gz WJGKSEDBXIUEEB-SDDRHHMPSA-N 2 0 282.388 -1.179 20 0 CAADRP NC(=O)CNC(=O)C[NH2+][C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246489939 780554787 /nfs/dbraw/zinc/55/47/87/780554787.db2.gz UNUWGFPIVULEHO-QMMMGPOBSA-N 2 0 255.322 -2.729 20 0 CAADRP C[N@H+](CCO)CCC[NH2+][C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246495575 780555250 /nfs/dbraw/zinc/55/52/50/780555250.db2.gz ZBLGSQZTUYMGQV-GFCCVEGCSA-N 3 0 256.394 -1.016 20 0 CAADRP COC(=O)[C@H](N[C@H]1CCNC2(C[NH2+]C2)C1)[C@@H]1CC[NH2+]C1 ZINC001246499001 780555586 /nfs/dbraw/zinc/55/55/86/780555586.db2.gz WJGKSEDBXIUEEB-GRYCIOLGSA-N 2 0 282.388 -1.179 20 0 CAADRP C[C@H](NC(=O)[C@H](C)[NH2+][C@@H]1CCNC2(C[NH2+]C2)C1)C(N)=O ZINC001246487865 780555831 /nfs/dbraw/zinc/55/58/31/780555831.db2.gz NARFXLMGVWPWKZ-LPEHRKFASA-N 2 0 283.376 -1.952 20 0 CAADRP CNC(=O)[C@H](CCCC[NH3+])[NH2+][C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246510817 780556265 /nfs/dbraw/zinc/55/62/65/780556265.db2.gz IFGFXWXSMQREDV-RYUDHWBXSA-N 3 0 283.420 -1.086 20 0 CAADRP OC[C@@H]1C[N@@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)CC[C@@H]1O ZINC001246588859 780556994 /nfs/dbraw/zinc/55/69/94/780556994.db2.gz LKQOEGAFYNXGMS-TUAOUCFPSA-N 2 0 255.362 -1.245 20 0 CAADRP C[N@H+](CC(=O)N1CCOCC1)[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246522394 780557471 /nfs/dbraw/zinc/55/74/71/780557471.db2.gz COPVHGTZITYUMR-GFCCVEGCSA-N 2 0 282.388 -1.129 20 0 CAADRP C[C@@H](CC(=O)N1CCOCC1)[N@@H+]1C[C@@H](O)[C@@H](C[NH3+])C1 ZINC001246575388 780557507 /nfs/dbraw/zinc/55/75/07/780557507.db2.gz CDAITZMYSNKUFD-SDDRHHMPSA-N 2 0 271.361 -1.125 20 0 CAADRP C1[NH2+]CC12C[C@@H](N1CCO[C@H]3C[NH2+]C[C@H]31)CCN2 ZINC001246661732 780560341 /nfs/dbraw/zinc/56/03/41/780560341.db2.gz HSKNEYATXLXFDX-TUAOUCFPSA-N 2 0 252.362 -1.247 20 0 CAADRP C1[NH2+]CC12C[C@@H](N1CCO[C@]3(C1)C[NH2+]CCOC3)CCN2 ZINC001246632657 780560493 /nfs/dbraw/zinc/56/04/93/780560493.db2.gz WCPXHBGBXZVRJI-ZFWWWQNUSA-N 2 0 296.415 -1.229 20 0 CAADRP O=C1CN(C2C[NH+]([C@@H]3CCNC4(C[NH2+]C4)C3)C2)CCN1 ZINC001246818954 780560988 /nfs/dbraw/zinc/56/09/88/780560988.db2.gz GKYRVSIHEYVHEK-LLVKDONJSA-N 2 0 279.388 -1.804 20 0 CAADRP NC(=O)N1CC[NH+]([C@@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246773738 780561128 /nfs/dbraw/zinc/56/11/28/780561128.db2.gz BSDSPPRFDYJXQU-SNVBAGLBSA-N 2 0 253.350 -1.223 20 0 CAADRP COC(=O)[C@@H]1C[C@@H]([NH3+])CN([C@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246796726 780561604 /nfs/dbraw/zinc/56/16/04/780561604.db2.gz KJAAPIOQPXOXEH-UTUOFQBUSA-N 2 0 282.388 -1.097 20 0 CAADRP COC(=O)[C@@H]1C[C@@H]([NH3+])CN([C@@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246796721 780561687 /nfs/dbraw/zinc/56/16/87/780561687.db2.gz KJAAPIOQPXOXEH-IJLUTSLNSA-N 2 0 282.388 -1.097 20 0 CAADRP COC(=O)[C@H]1C[N@@H+]([C@H]2CCNC3(C[NH2+]C3)C2)CCN1 ZINC001246691862 780561779 /nfs/dbraw/zinc/56/17/79/780561779.db2.gz GAQKNQRZLHSSRD-WDEREUQCSA-N 2 0 268.361 -1.473 20 0 CAADRP CC(=O)N1CC[C@@H](N2CC[NH2+]CCNCC[NH2+]CC2)C1 ZINC001246821214 780562652 /nfs/dbraw/zinc/56/26/52/780562652.db2.gz MROHVTLXPSWBSQ-CQSZACIVSA-N 2 0 283.420 -1.308 20 0 CAADRP C[C@@H]1C[C@H](N2CC[NH2+]CCNCC[NH2+]CC2)C[NH2+]1 ZINC001246819013 780562674 /nfs/dbraw/zinc/56/26/74/780562674.db2.gz FLCWFSIXAKWFJM-OLZOCXBDSA-N 3 0 255.410 -1.179 20 0 CAADRP C1C[NH2+]C[C@H](N2CC[NH2+]CCNCC[NH2+]CC2)C1 ZINC001246823828 780562784 /nfs/dbraw/zinc/56/27/84/780562784.db2.gz WTXZIUZEFATNCU-CYBMUJFWSA-N 3 0 255.410 -1.177 20 0 CAADRP CC1(C)C[N@@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)CCN1CC(N)=O ZINC001246822296 780562977 /nfs/dbraw/zinc/56/29/77/780562977.db2.gz YEEMUVIBXOOHEC-GFCCVEGCSA-N 2 0 295.431 -1.038 20 0 CAADRP COC(=O)[C@@H]1C[C@@H]([NH3+])CN1[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246833919 780563303 /nfs/dbraw/zinc/56/33/03/780563303.db2.gz HJUOHURQFYARAP-VWYCJHECSA-N 2 0 268.361 -1.345 20 0 CAADRP O=C1C[C@@H](N2CC[NH2+]CCNCC[NH2+]CC2)CN1 ZINC001246822915 780563345 /nfs/dbraw/zinc/56/33/45/780563345.db2.gz TYTVNBDVGUPVKM-LLVKDONJSA-N 2 0 255.366 -2.041 20 0 CAADRP O=S1(=O)CC[C@@H](N2CC[NH2+]CCNCC[NH2+]CC2)C1 ZINC001246821190 780563495 /nfs/dbraw/zinc/56/34/95/780563495.db2.gz MPEWMIHXZBGEAV-GFCCVEGCSA-N 2 0 290.433 -1.742 20 0 CAADRP O=C1C[C@H]([NH+]2CCNCC[NH2+]CCNCC2)CCN1 ZINC001246819054 780563506 /nfs/dbraw/zinc/56/35/06/780563506.db2.gz FRUQTGJUFQPCAE-GFCCVEGCSA-N 2 0 269.393 -1.651 20 0 CAADRP CC[C@@]1(C(=O)OC)C[C@H](N(CC[NH3+])CC[NH3+])CN1 ZINC001246830679 780563522 /nfs/dbraw/zinc/56/35/22/780563522.db2.gz LJWJVIOSPPLMKF-JQWIXIFHSA-N 2 0 258.366 -1.111 20 0 CAADRP COC(=O)[C@@H]1C[C@@H](N2CC[NH2+]CCNCC[NH2+]CC2)CN1 ZINC001246822834 780563553 /nfs/dbraw/zinc/56/35/53/780563553.db2.gz SVZUPXORDNOPSX-OLZOCXBDSA-N 2 0 299.419 -2.026 20 0 CAADRP C1[NH2+]CC12C[C@H](N1CC[NH2+]CCNCC[NH2+]CC1)CS2 ZINC001246821373 780563608 /nfs/dbraw/zinc/56/36/08/780563608.db2.gz OEYXZWKGALKTPT-ZDUSSCGKSA-N 3 0 299.488 -1.082 20 0 CAADRP C1[NH2+]CC12C[C@@H](N1CC[NH2+]CCNCC[NH2+]CC1)CCN2 ZINC001246821157 780563621 /nfs/dbraw/zinc/56/36/21/780563621.db2.gz MIASOHIKNFMICH-AWEZNQCLSA-N 3 0 296.463 -1.835 20 0 CAADRP COC(=O)[C@]1(N)CC[N@@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246928439 780563867 /nfs/dbraw/zinc/56/38/67/780563867.db2.gz ZNRZPHBCFWJWIE-MFKMUULPSA-N 2 0 268.361 -1.343 20 0 CAADRP [NH3+]CCCNC(=O)CN(CCC[NH3+])[C@@H]1CCC[NH2+]C1 ZINC001246922836 780564083 /nfs/dbraw/zinc/56/40/83/780564083.db2.gz YBVDLLPDWDPADV-GFCCVEGCSA-N 3 0 271.409 -1.146 20 0 CAADRP COC(=O)[C@@]1(N)CC[N@@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246928440 780564096 /nfs/dbraw/zinc/56/40/96/780564096.db2.gz ZNRZPHBCFWJWIE-ZWNOBZJWSA-N 2 0 268.361 -1.343 20 0 CAADRP COC(=O)[C@@H]1C[N@@H+]([C@H]2CCOC3(C[NH2+]C3)C2)C[C@@H]1N ZINC001246929934 780564126 /nfs/dbraw/zinc/56/41/26/780564126.db2.gz ITBUPACFQRVUEY-AXFHLTTASA-N 2 0 269.345 -1.061 20 0 CAADRP C1[NH2+]CC12C[C@H]([NH+]1CC(N3CC[NH2+]CC3)C1)CCN2 ZINC001246892144 780564561 /nfs/dbraw/zinc/56/45/61/780564561.db2.gz DMSNPIFMMDXKHI-GFCCVEGCSA-N 3 0 265.405 -1.330 20 0 CAADRP C[N@H+](CCN1CC[NH2+]CC1)[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246871854 780564646 /nfs/dbraw/zinc/56/46/46/780564646.db2.gz NNSQHHKPQXWBDA-CYBMUJFWSA-N 3 0 267.421 -1.083 20 0 CAADRP COC(=O)[C@@H]1C[N@@H+]([C@H]2CCOC3(C[NH2+]C3)C2)C[C@H]1N ZINC001246929937 780564833 /nfs/dbraw/zinc/56/48/33/780564833.db2.gz ITBUPACFQRVUEY-HBNTYKKESA-N 2 0 269.345 -1.061 20 0 CAADRP [NH3+]CCCNC(=O)CN(CCC[NH3+])[C@H]1CCNC(=O)C1 ZINC001246922949 780564871 /nfs/dbraw/zinc/56/48/71/780564871.db2.gz ZAPJXMOPNUHRIZ-NSHDSACASA-N 2 0 285.392 -1.619 20 0 CAADRP C[C@H]1C[C@H](N(CCC[NH3+])CC(=O)NCCC[NH3+])C[NH2+]1 ZINC001246926065 780564925 /nfs/dbraw/zinc/56/49/25/780564925.db2.gz ROXVGMRXOZIVGB-RYUDHWBXSA-N 3 0 271.409 -1.147 20 0 CAADRP O=C1NC(=O)C2(CC[NH+]([C@H]3CCNC4(C[NH2+]C4)C3)CC2)N1 ZINC001246866119 780564964 /nfs/dbraw/zinc/56/49/64/780564964.db2.gz ZPHTVTYBVZLWAG-JTQLQIEISA-N 2 0 293.371 -1.246 20 0 CAADRP [NH3+][C@H]1CN([C@H]2CCNC3(C[NH2+]C3)C2)CC12COC2 ZINC001246990791 780565791 /nfs/dbraw/zinc/56/57/91/780565791.db2.gz QPSQBPUNONXYRO-QWRGUYRKSA-N 2 0 252.362 -1.260 20 0 CAADRP COC(=O)[C@@H]1CN(C2C[C@@H]3COC[C@H](C2)[NH2+]3)C[C@H]1[NH3+] ZINC001246932495 780565844 /nfs/dbraw/zinc/56/58/44/780565844.db2.gz PPYZIUHOHCRSHK-FXVHWTKVSA-N 2 0 269.345 -1.062 20 0 CAADRP C[NH+]1CCN(CC[NH2+]C[C@H](O)CN2CCOCC2)CC1 ZINC001251033491 780570706 /nfs/dbraw/zinc/57/07/06/780570706.db2.gz LDNXJOMXUIZENY-AWEZNQCLSA-N 2 0 286.420 -1.484 20 0 CAADRP COC(=O)[C@H](O)CN(CC[NH+](C)C)CC[NH+](C)C ZINC001252422548 780585023 /nfs/dbraw/zinc/58/50/23/780585023.db2.gz ZRYPBLHXRZZKRL-LLVKDONJSA-N 2 0 261.366 -1.055 20 0 CAADRP CC[NH+](CC)C[C@H](O)CNCCC[NH+](CCO)CCO ZINC001253203597 780592628 /nfs/dbraw/zinc/59/26/28/780592628.db2.gz IWPCSXMGGTZQBD-CQSZACIVSA-N 2 0 291.436 -1.045 20 0 CAADRP CC[NH+](CC)C[C@@H](O)C[NH2+]C[C@H]1CC(=O)NC1=O ZINC001253209968 780592634 /nfs/dbraw/zinc/59/26/34/780592634.db2.gz JZDFUIASALYRJJ-ZJUUUORDSA-N 2 0 257.334 -1.059 20 0 CAADRP CN(C[C@@H](O)C[NH2+]CCO)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001278756460 780597156 /nfs/dbraw/zinc/59/71/56/780597156.db2.gz PSVOSFPQDLUCGD-STQMWFEESA-N 2 0 285.388 -1.271 20 0 CAADRP [NH3+]CCN(CC[NH2+][C@H]1CCS(=O)(=O)C1)N(O)N=O ZINC001254325604 780603735 /nfs/dbraw/zinc/60/37/35/780603735.db2.gz YKXZSMNJJGYJJE-QMMMGPOBSA-N 2 0 281.338 -1.689 20 0 CAADRP CCOC(=O)CN1CCC([NH2+]C[C@H](O)C[NH3+])CC1 ZINC001254390492 780604423 /nfs/dbraw/zinc/60/44/23/780604423.db2.gz KULIVXZTBKUAGQ-LLVKDONJSA-N 2 0 259.350 -1.077 20 0 CAADRP COC(=O)[C@H](C[NH3+])C[NH2+][C@H](C)CC(=O)N1CCOCC1 ZINC001256325192 780622589 /nfs/dbraw/zinc/62/25/89/780622589.db2.gz WTASKIVMXTZKTM-GHMZBOCLSA-N 2 0 287.360 -1.039 20 0 CAADRP COC(=O)[C@H](C[NH3+])C[NH2+][C@@H](C)CC(=O)N1CCOCC1 ZINC001256325195 780622901 /nfs/dbraw/zinc/62/29/01/780622901.db2.gz WTASKIVMXTZKTM-WDEREUQCSA-N 2 0 287.360 -1.039 20 0 CAADRP COC(=O)CS(=O)(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC001259022341 780637098 /nfs/dbraw/zinc/63/70/98/780637098.db2.gz YVJRUKBKUGMTLP-UHFFFAOYSA-N 2 0 295.405 -1.086 20 0 CAADRP O=C([C@H]1C[NH2+]CCO1)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC001261459541 780665143 /nfs/dbraw/zinc/66/51/43/780665143.db2.gz SAFTVJFATZZOQE-VXGBXAGGSA-N 2 0 268.361 -1.519 20 0 CAADRP [NH3+]CCCCn1cc(C(=O)NCCN2CC[NH2+]CC2)nn1 ZINC001261460954 780665184 /nfs/dbraw/zinc/66/51/84/780665184.db2.gz UBRIAEYDQDSJTF-UHFFFAOYSA-N 2 0 295.391 -1.348 20 0 CAADRP O=C(CNC(=O)[C@@H]1C[NH2+]CCO1)N1CC[NH2+]CC1 ZINC001261461130 780665471 /nfs/dbraw/zinc/66/54/71/780665471.db2.gz ZORRNNQSUCGCHO-VIFPVBQESA-N 2 0 256.306 -2.477 20 0 CAADRP C[C@@H](O)[C@@H](CO)[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC001261482273 780665535 /nfs/dbraw/zinc/66/55/35/780665535.db2.gz HCINZLGPVHWINE-IJLUTSLNSA-N 2 0 261.366 -2.074 20 0 CAADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)NC1CC[NH2+]CC1 ZINC001261489623 780666763 /nfs/dbraw/zinc/66/67/63/780666763.db2.gz AOXNRFWVABOZQD-NSHDSACASA-N 2 0 256.350 -1.046 20 0 CAADRP O=C1NC2(CC[NH2+]CC2)C(=O)N1C[C@H]1C[NH2+]CCO1 ZINC001261578659 780672877 /nfs/dbraw/zinc/67/28/77/780672877.db2.gz LFZCPIVTYQGNRP-SECBINFHSA-N 2 0 268.317 -1.351 20 0 CAADRP [NH3+]CCn1cc(C(=O)NC[C@@H]2C[C@H](F)C[NH2+]2)nn1 ZINC001261637184 780675154 /nfs/dbraw/zinc/67/51/54/780675154.db2.gz KEIHNCWASOQRIE-YUMQZZPRSA-N 2 0 256.285 -1.333 20 0 CAADRP O=S(=O)(C[C@@H]1C[NH2+]CCO1)N1CCNCC[NH2+]CC1 ZINC001262195886 780703209 /nfs/dbraw/zinc/70/32/09/780703209.db2.gz PYBLHMSIIXMJPU-NSHDSACASA-N 2 0 292.405 -2.201 20 0 CAADRP O=S(=O)(C[C@H]1C[NH2+]CCO1)N1CCNCC[NH2+]CC1 ZINC001262195885 780703214 /nfs/dbraw/zinc/70/32/14/780703214.db2.gz PYBLHMSIIXMJPU-LLVKDONJSA-N 2 0 292.405 -2.201 20 0 CAADRP C[NH2+]C[C@@H](O)[C@H](C)C(=O)NCCOCC[NH+](C)C ZINC001263117088 780721574 /nfs/dbraw/zinc/72/15/74/780721574.db2.gz QXBYWLMZOZECJG-WDEREUQCSA-N 2 0 261.366 -1.103 20 0 CAADRP COC[C@H]1C[NH2+]CCN1CC(=O)N1CC[NH2+]CC1 ZINC001262485708 780711723 /nfs/dbraw/zinc/71/17/23/780711723.db2.gz FPUKDCDECQSQPQ-LLVKDONJSA-N 2 0 256.350 -1.662 20 0 CAADRP C[C@@H]1CN(C(=O)C(=O)NC[C@H]2C[N@H+](C)CCN2C)C[C@H]1[NH3+] ZINC001262542444 780714054 /nfs/dbraw/zinc/71/40/54/780714054.db2.gz AONUCKWNMLWBEG-GRYCIOLGSA-N 2 0 297.403 -1.846 20 0 CAADRP CN1CCN(C(=O)C[C@@H](O)C[NH3+])CC[N@H+](C)CC1 ZINC001263245610 780725053 /nfs/dbraw/zinc/72/50/53/780725053.db2.gz OWLUAZFRRIXYJF-LLVKDONJSA-N 2 0 258.366 -1.598 20 0 CAADRP COC(=O)CC[C@@H]([NH3+])C(=O)NCCCN1CC[NH2+]CC1 ZINC001263061408 780718626 /nfs/dbraw/zinc/71/86/26/780718626.db2.gz PMTFYFFQYSSVDM-LLVKDONJSA-N 2 0 286.376 -1.322 20 0 CAADRP CC[NH2+]CCNC(=O)[C@H]1CC(=O)N(C2C[NH2+]C2)C1 ZINC001263062295 780718666 /nfs/dbraw/zinc/71/86/66/780718666.db2.gz PJRWCAVJIMTTNM-VIFPVBQESA-N 2 0 254.334 -1.468 20 0 CAADRP C[NH2+][C@H]1CCN(C(=O)[C@H]2CC(=O)N(C3C[NH2+]C3)C2)C1 ZINC001263061510 780718912 /nfs/dbraw/zinc/71/89/12/780718912.db2.gz TWWPCSKPUCBVGO-UWVGGRQHSA-N 2 0 266.345 -1.373 20 0 CAADRP CC[C@@H]([NH3+])CNC(=O)[C@@H]1CC(=O)N(C2C[NH2+]C2)C1 ZINC001263110432 780720802 /nfs/dbraw/zinc/72/08/02/780720802.db2.gz VTRICNYHNIUGBM-RKDXNWHRSA-N 2 0 254.334 -1.340 20 0 CAADRP C[NH+](C)CCOCCNC(=O)C1(C[NH3+])CC(O)C1 ZINC001263117143 780721069 /nfs/dbraw/zinc/72/10/69/780721069.db2.gz SMLJUBPIWHWQJK-UHFFFAOYSA-N 2 0 259.350 -1.219 20 0 CAADRP C[NH2+]C[C@@H](O)[C@@H](C)C(=O)NCCOCC[NH+](C)C ZINC001263117085 780721110 /nfs/dbraw/zinc/72/11/10/780721110.db2.gz QXBYWLMZOZECJG-GHMZBOCLSA-N 2 0 261.366 -1.103 20 0 CAADRP C[C@H]1CN(C(=O)[C@H]2CC(=O)N(C3C[NH2+]C3)C2)CC[NH2+]1 ZINC001263106248 780721342 /nfs/dbraw/zinc/72/13/42/780721342.db2.gz PVXBSJSMYCRDEW-UWVGGRQHSA-N 2 0 266.345 -1.373 20 0 CAADRP CN(CCCN1CC[NH+](C)CC1)C(=O)[C@H]1C[NH2+]CCN1C ZINC001263113404 780721383 /nfs/dbraw/zinc/72/13/83/780721383.db2.gz HZMADEBKWSIHDH-CQSZACIVSA-N 2 0 297.447 -1.014 20 0 CAADRP CC[C@H]([NH3+])CNC(=O)[C@H]1CC(=O)N(C2C[NH2+]C2)C1 ZINC001263110431 780721683 /nfs/dbraw/zinc/72/16/83/780721683.db2.gz VTRICNYHNIUGBM-IUCAKERBSA-N 2 0 254.334 -1.340 20 0 CAADRP O=C(C[C@@]1(O)CCC[NH2+]C1)N1CCOC2(C[NH2+]C2)C1 ZINC001263163420 780722178 /nfs/dbraw/zinc/72/21/78/780722178.db2.gz OYRHSAJJRSXUFF-LBPRGKRZSA-N 2 0 269.345 -1.308 20 0 CAADRP COCC[NH2+]CC(=O)N1CCC[C@@H]([NH2+]CCO)C1 ZINC001263168410 780722150 /nfs/dbraw/zinc/72/21/50/780722150.db2.gz MFNYKAIZBQOSEM-LLVKDONJSA-N 2 0 259.350 -1.205 20 0 CAADRP [NH3+]CCNCC(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC001263165031 780722250 /nfs/dbraw/zinc/72/22/50/780722250.db2.gz OOISBJQGSOFPDM-UHFFFAOYSA-N 2 0 298.391 -2.296 20 0 CAADRP C[NH2+]C[C@H](C)NC(=O)[C@@H]1CCCN(CC[NH3+])C1=O ZINC001263161457 780722338 /nfs/dbraw/zinc/72/23/38/780722338.db2.gz GTOSHKRRTNXRGY-UWVGGRQHSA-N 2 0 256.350 -1.092 20 0 CAADRP C[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCCN(CC[NH3+])C1=O ZINC001263161459 780722566 /nfs/dbraw/zinc/72/25/66/780722566.db2.gz GTOSHKRRTNXRGY-ZJUUUORDSA-N 2 0 256.350 -1.092 20 0 CAADRP C[NH2+]C[C@@H](C)NC(=O)[C@H]1CCCN(CC[NH3+])C1=O ZINC001263161456 780722633 /nfs/dbraw/zinc/72/26/33/780722633.db2.gz GTOSHKRRTNXRGY-NXEZZACHSA-N 2 0 256.350 -1.092 20 0 CAADRP C[C@H]([NH3+])CCNC(=O)[C@H]1CC(=O)N(C2C[NH2+]C2)C1 ZINC001263163910 780722649 /nfs/dbraw/zinc/72/26/49/780722649.db2.gz FEEKYIAHPRIXHY-IUCAKERBSA-N 2 0 254.334 -1.340 20 0 CAADRP O=C(NCC1(O)C[NH2+]C1)C1=NOC2(C1)CC[NH2+]CC2 ZINC001263153708 780722981 /nfs/dbraw/zinc/72/29/81/780722981.db2.gz ULGGLXRKHDBVCY-UHFFFAOYSA-N 2 0 268.317 -1.665 20 0 CAADRP CC1(C)CC[N@H+](CCNC(=O)CNC(=O)C[NH3+])C1 ZINC001263248085 780724574 /nfs/dbraw/zinc/72/45/74/780724574.db2.gz RNBJSQWFRYXDHE-UHFFFAOYSA-N 2 0 256.350 -1.091 20 0 CAADRP [NH3+][C@]1(CO)CCCN(C(=O)[C@]23C[NH2+]C[C@H]2COC3)C1 ZINC001263212616 780725101 /nfs/dbraw/zinc/72/51/01/780725101.db2.gz YCKIKOLETJHLSO-UHTWSYAYSA-N 2 0 269.345 -1.465 20 0 CAADRP [NH3+][C@@]1(CO)CCCN(C(=O)CN2CC[NH2+]CC2)C1 ZINC001263211808 780725151 /nfs/dbraw/zinc/72/51/51/780725151.db2.gz CUHFSANVPKGFQM-LBPRGKRZSA-N 2 0 256.350 -1.796 20 0 CAADRP CN1CCN(C(=O)[C@@H]2C[NH2+]CCO2)CC[N@H+](C)CC1 ZINC001263245705 780725220 /nfs/dbraw/zinc/72/52/20/780725220.db2.gz ROQYBOQCVFARLN-LBPRGKRZSA-N 2 0 270.377 -1.319 20 0 CAADRP CN1CC[NH2+]C[C@H]1C(=O)N1CCN(C)CC[N@H+](C)CC1 ZINC001263245792 780725303 /nfs/dbraw/zinc/72/53/03/780725303.db2.gz VFTJJKCOWXIDRA-ZDUSSCGKSA-N 2 0 283.420 -1.404 20 0 CAADRP [NH3+][C@@]1(CO)CCCN(C(=O)[C@]23C[NH2+]C[C@H]2COC3)C1 ZINC001263212615 780725396 /nfs/dbraw/zinc/72/53/96/780725396.db2.gz YCKIKOLETJHLSO-DRZSPHRISA-N 2 0 269.345 -1.465 20 0 CAADRP COC[C@@]1(C(=O)N[C@H]2C[C@H](C[NH3+])C2)C[NH2+]CCO1 ZINC001263251649 780726114 /nfs/dbraw/zinc/72/61/14/780726114.db2.gz TURHMKQLABJOJI-CKYFFXLPSA-N 2 0 257.334 -1.155 20 0 CAADRP [NH3+]C[C@H]1C[C@H](NC(=O)[C@@H]2CC(=O)N(C3C[NH2+]C3)C2)C1 ZINC001263252626 780726797 /nfs/dbraw/zinc/72/67/97/780726797.db2.gz XECSUSMASTYGSS-OPRDCNLKSA-N 2 0 266.345 -1.340 20 0 CAADRP COC[C@]1(C(=O)N[C@H]2C[C@H](C[NH3+])C2)C[NH2+]CCO1 ZINC001263251650 780726909 /nfs/dbraw/zinc/72/69/09/780726909.db2.gz TURHMKQLABJOJI-NHCYSSNCSA-N 2 0 257.334 -1.155 20 0 CAADRP COC[C@H]1C[NH2+]CCN1C(=O)C[C@@H]1C[NH2+]CCO1 ZINC001263261122 780726922 /nfs/dbraw/zinc/72/69/22/780726922.db2.gz UYTGUEGXJUPKDY-GHMZBOCLSA-N 2 0 257.334 -1.188 20 0 CAADRP C[N@H+](CCCNC(=O)[C@@H]1CCC[NH+]1C)CC(=O)NC(N)=O ZINC001265815245 780757881 /nfs/dbraw/zinc/75/78/81/780757881.db2.gz SWPMKAUUFDFKII-JTQLQIEISA-N 2 0 299.375 -1.286 20 0 CAADRP C[N@H+](CCCNC(=O)[C@H]1CCC[NH+]1C)CC(=O)NC(N)=O ZINC001265815246 780758926 /nfs/dbraw/zinc/75/89/26/780758926.db2.gz SWPMKAUUFDFKII-SNVBAGLBSA-N 2 0 299.375 -1.286 20 0 CAADRP C[C@H](CCNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]CC(N)=O ZINC001266190046 780771589 /nfs/dbraw/zinc/77/15/89/780771589.db2.gz XTYKKSAAKLQFGB-ZJUUUORDSA-N 2 0 256.350 -1.092 20 0 CAADRP C[C@@H](CCNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]CC(N)=O ZINC001266190044 780771943 /nfs/dbraw/zinc/77/19/43/780771943.db2.gz XTYKKSAAKLQFGB-UWVGGRQHSA-N 2 0 256.350 -1.092 20 0 CAADRP CC[NH+](CC)CC(=O)NCC[NH2+][C@@H]1CCC(=O)NC1=O ZINC001135511185 781373014 /nfs/dbraw/zinc/37/30/14/781373014.db2.gz KMKOIATXYJVWDG-SNVBAGLBSA-N 2 0 284.360 -1.161 20 0 CAADRP CC[NH+](CC)CC(=O)NCC[NH2+]CC(=O)NC(=O)NC ZINC001135510631 781374303 /nfs/dbraw/zinc/37/43/03/781374303.db2.gz CVTHQRXBQITZMA-UHFFFAOYSA-N 2 0 287.364 -1.510 20 0 CAADRP CC[NH+](CC)CC(=O)NCC[NH2+][C@@H]1CCNC1=O ZINC001135511680 781374917 /nfs/dbraw/zinc/37/49/17/781374917.db2.gz YLKUKBBECFXADB-SNVBAGLBSA-N 2 0 256.350 -1.078 20 0 CAADRP CC1CC[NH+](CC(=O)NCC[NH2+]CC(N)=O)CC1 ZINC001135688473 781381532 /nfs/dbraw/zinc/38/15/32/781381532.db2.gz ROYSGGJESXRPCI-UHFFFAOYSA-N 2 0 256.350 -1.091 20 0 CAADRP CC1CC[NH+](CC(=O)NCC[NH2+]CC(=O)NC(N)=O)CC1 ZINC001135688585 781382331 /nfs/dbraw/zinc/38/23/31/781382331.db2.gz XCSULQDJYPUSOQ-UHFFFAOYSA-N 2 0 299.375 -1.381 20 0 CAADRP C[C@H](C[C@H](C)NC(=O)COCC[NH+](C)C)[NH2+]CC(N)=O ZINC001135922798 781388732 /nfs/dbraw/zinc/38/87/32/781388732.db2.gz BKRHNGQIBZUVEG-MNOVXSKESA-N 2 0 288.392 -1.077 20 0 CAADRP C[NH+]1CCC(OCC(=O)NCC[NH2+][C@H]2CCNC2=O)CC1 ZINC001135958482 781388807 /nfs/dbraw/zinc/38/88/07/781388807.db2.gz AHBWFRBPKFRRKH-LBPRGKRZSA-N 2 0 298.387 -1.309 20 0 CAADRP C[C@@H](C[C@H](C)[NH2+]CC(N)=O)NC(=O)COCC[NH+](C)C ZINC001135922799 781389004 /nfs/dbraw/zinc/38/90/04/781389004.db2.gz BKRHNGQIBZUVEG-QWRGUYRKSA-N 2 0 288.392 -1.077 20 0 CAADRP CNC(=O)C[NH2+]CCNC(=O)COC1CC[NH+](C)CC1 ZINC001135959363 781389200 /nfs/dbraw/zinc/38/92/00/781389200.db2.gz PJVMQOSXSQEGLJ-UHFFFAOYSA-N 2 0 286.376 -1.451 20 0 CAADRP C[NH+]1CCC(OCC(=O)NCC[NH2+][C@@H]2CCNC2=O)CC1 ZINC001135958481 781390170 /nfs/dbraw/zinc/39/01/70/781390170.db2.gz AHBWFRBPKFRRKH-GFCCVEGCSA-N 2 0 298.387 -1.309 20 0 CAADRP COc1nc(N[C@H]([NH3+])CCC[NH3+])nc(N2CCOCC2)n1 ZINC001170897599 781395350 /nfs/dbraw/zinc/39/53/50/781395350.db2.gz ONCIMULKLVBGIF-VIFPVBQESA-N 2 0 297.363 -1.426 20 0 CAADRP NS(=O)(=O)c1ccc(N[C@H]([NH3+])CCC[NH3+])nn1 ZINC001159787732 781398341 /nfs/dbraw/zinc/39/83/41/781398341.db2.gz BYMUOFXQFVQRTO-LURJTMIESA-N 2 0 260.323 -1.440 20 0 CAADRP [NH3+]C[C@H]1C[N@H+](C[C@H](O)CC2(O)CC[NH2+]CC2)C[C@@H]1O ZINC001246019531 781398669 /nfs/dbraw/zinc/39/86/69/781398669.db2.gz FUJGLEIYNLDREW-TUAOUCFPSA-N 3 0 273.377 -1.897 20 0 CAADRP [NH3+]C[C@H]1C[N@H+](C[C@@H](O)CC2(O)CC[NH2+]CC2)C[C@H]1O ZINC001246019527 781398923 /nfs/dbraw/zinc/39/89/23/781398923.db2.gz FUJGLEIYNLDREW-SDDRHHMPSA-N 3 0 273.377 -1.897 20 0 CAADRP COC(=O)[C@@H]1C[C@H]([NH2+][C@@H](C)CN2CC[NH2+]CC2)CN1 ZINC001246074705 781400661 /nfs/dbraw/zinc/40/06/61/781400661.db2.gz BSUPUGIMROXKFV-SRVKXCTJSA-N 2 0 270.377 -1.227 20 0 CAADRP COC(=O)[C@@H]1C[C@@H]([NH2+][C@@H](C)CN2CC[NH2+]CC2)CN1 ZINC001246074706 781401273 /nfs/dbraw/zinc/40/12/73/781401273.db2.gz BSUPUGIMROXKFV-TUAOUCFPSA-N 2 0 270.377 -1.227 20 0 CAADRP O=C1NCCN1CC[NH2+][C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246076085 781402541 /nfs/dbraw/zinc/40/25/41/781402541.db2.gz VZGNIPGMWOWOSQ-SNVBAGLBSA-N 2 0 253.350 -1.305 20 0 CAADRP C[NH+]1CCN(CC[NH2+][C@@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246090333 781404306 /nfs/dbraw/zinc/40/43/06/781404306.db2.gz WLOLIKKSRRTYPR-CYBMUJFWSA-N 3 0 267.421 -1.083 20 0 CAADRP C[NH+]1CCN(CC[NH2+][C@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246090336 781404329 /nfs/dbraw/zinc/40/43/29/781404329.db2.gz WLOLIKKSRRTYPR-ZDUSSCGKSA-N 3 0 267.421 -1.083 20 0 CAADRP OCC1([NH2+][C@@H]2CCNC3(C[NH2+]C3)C2)CC[NH2+]CC1 ZINC001246109325 781406101 /nfs/dbraw/zinc/40/61/01/781406101.db2.gz AVEHMHJXXFYJER-LLVKDONJSA-N 3 0 254.378 -1.216 20 0 CAADRP C[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](CCO)C[C@H]2O)CC1 ZINC001090537690 781407775 /nfs/dbraw/zinc/40/77/75/781407775.db2.gz NATZNXMAUIGHND-CHWSQXEVSA-N 2 0 285.388 -1.128 20 0 CAADRP O=S1(=O)CC[C@H](NC2CC[NH2+]CC2)C12C[NH2+]C2 ZINC001246142539 781409665 /nfs/dbraw/zinc/40/96/65/781409665.db2.gz IVLCKNILOXSYQN-JTQLQIEISA-N 2 0 259.375 -1.143 20 0 CAADRP O=S1(=O)CC[C@@H](NC2CC[NH2+]CC2)C12C[NH2+]C2 ZINC001246142548 781409932 /nfs/dbraw/zinc/40/99/32/781409932.db2.gz IVLCKNILOXSYQN-SNVBAGLBSA-N 2 0 259.375 -1.143 20 0 CAADRP C1NCC12OCC[C@H]2[NH2+][C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246122763 781409945 /nfs/dbraw/zinc/40/99/45/781409945.db2.gz COKYUFUNGPKTKM-WDEREUQCSA-N 2 0 252.362 -1.199 20 0 CAADRP C[NH+](C)[C@H](C(=O)NCCC[NH2+]CC(=O)NC(N)=O)C1CC1 ZINC001159917524 781410195 /nfs/dbraw/zinc/41/01/95/781410195.db2.gz YVAWIBQUXMKNHX-NSHDSACASA-N 2 0 299.375 -1.383 20 0 CAADRP O=S1(=O)C=C[C@@H]([NH2+][C@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246172074 781411328 /nfs/dbraw/zinc/41/13/28/781411328.db2.gz BGFQCSYASZMEBG-VHSXEESVSA-N 2 0 257.359 -1.019 20 0 CAADRP COC(=O)C1(N[C@@H]2CCNC3(C[NH2+]C3)C2)CC[NH2+]CC1 ZINC001246189849 781411619 /nfs/dbraw/zinc/41/16/19/781411619.db2.gz MQLQWJIBLSQURH-LLVKDONJSA-N 2 0 282.388 -1.035 20 0 CAADRP O=C(Cc1c[nH]cn1)N[C@@H]1CC[N@@H+](CCO)C[C@H]1O ZINC001090601475 781411817 /nfs/dbraw/zinc/41/18/17/781411817.db2.gz RSVVIZDCKGVBNA-GHMZBOCLSA-N 2 0 268.317 -1.504 20 0 CAADRP O=C(Cc1c[nH]cn1)N[C@H]1CC[N@@H+](CCO)C[C@@H]1O ZINC001090601477 781412030 /nfs/dbraw/zinc/41/20/30/781412030.db2.gz RSVVIZDCKGVBNA-QWRGUYRKSA-N 2 0 268.317 -1.504 20 0 CAADRP O=C1CC[C@@H]([NH2+][C@@H]2CCNC3(C[NH2+]C3)C2)C(=O)N1 ZINC001246188890 781413589 /nfs/dbraw/zinc/41/35/89/781413589.db2.gz XFEWIMDVEXAUQD-RKDXNWHRSA-N 2 0 252.318 -1.525 20 0 CAADRP COC(=O)[C@@H](C[NH3+])C[NH2+][C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246236636 781420231 /nfs/dbraw/zinc/42/02/31/781420231.db2.gz PYXHDGQHHOFNQD-VHSXEESVSA-N 3 0 256.350 -1.582 20 0 CAADRP [NH3+]CCOCCOCC[NH2+][C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246284432 781427516 /nfs/dbraw/zinc/42/75/16/781427516.db2.gz NFPNMAGRWITTAY-GFCCVEGCSA-N 3 0 272.393 -1.338 20 0 CAADRP COC(=O)CNC(=O)C[NH2+][C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246304407 781428697 /nfs/dbraw/zinc/42/86/97/781428697.db2.gz ABAGVBGLBUJRHX-SECBINFHSA-N 2 0 270.333 -2.041 20 0 CAADRP O=C1CNCCN1CC[NH2+][C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246355550 781433147 /nfs/dbraw/zinc/43/31/47/781433147.db2.gz JEARCPRHLIEWIV-NSHDSACASA-N 2 0 267.377 -1.898 20 0 CAADRP COC(=O)[C@H]1C[C@H]([NH2+]CCCC[C@H]([NH3+])C(N)=O)CN1 ZINC001246420177 781434737 /nfs/dbraw/zinc/43/47/37/781434737.db2.gz XCWDMMPWVYZKDT-LPEHRKFASA-N 2 0 272.349 -1.538 20 0 CAADRP C[C@H]([NH2+][C@H]1CCNC2(C[NH2+]C2)C1)C(=O)NCC(N)=O ZINC001246407140 781434832 /nfs/dbraw/zinc/43/48/32/781434832.db2.gz WRMGYQSCLNTUFW-IUCAKERBSA-N 2 0 269.349 -2.340 20 0 CAADRP O=C(C[NH+]1CCCC1)N[C@H]1CC[N@@H+](CCO)C[C@@H]1O ZINC001090816540 781435500 /nfs/dbraw/zinc/43/55/00/781435500.db2.gz PGABEIHHWWEMAQ-RYUDHWBXSA-N 2 0 271.361 -1.374 20 0 CAADRP C[C@H]([NH2+][C@@H]1CCNC2(C[NH2+]C2)C1)C(=O)NCC(N)=O ZINC001246407136 781435524 /nfs/dbraw/zinc/43/55/24/781435524.db2.gz WRMGYQSCLNTUFW-DTWKUNHWSA-N 2 0 269.349 -2.340 20 0 CAADRP O=C(C[NH+]1CCCC1)N[C@H]1CC[N@@H+](CCO)C[C@H]1O ZINC001090816537 781435657 /nfs/dbraw/zinc/43/56/57/781435657.db2.gz PGABEIHHWWEMAQ-NWDGAFQWSA-N 2 0 271.361 -1.374 20 0 CAADRP O=C(C[NH+]1CCCC1)N[C@@H]1CC[N@@H+](CCO)C[C@H]1O ZINC001090816542 781435723 /nfs/dbraw/zinc/43/57/23/781435723.db2.gz PGABEIHHWWEMAQ-VXGBXAGGSA-N 2 0 271.361 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/nfs/dbraw/zinc/45/64/90/781456490.db2.gz XAYGGRSKAJOKNC-HBIQZDMRSA-N 2 0 298.387 -1.325 20 0 CAADRP [NH3+]C[C@H]1CN(C(=O)[C@@H]([NH3+])C2CC[NH2+]CC2)CCO1 ZINC001160643877 781457568 /nfs/dbraw/zinc/45/75/68/781457568.db2.gz OXVDDUPHCGGGDV-QWRGUYRKSA-N 3 0 256.350 -1.501 20 0 CAADRP CNC(=O)C[NH2+]CCCNC(=O)COCC[NH+](C)C ZINC001171197186 781458157 /nfs/dbraw/zinc/45/81/57/781458157.db2.gz BEOIHVOZMWKSPG-UHFFFAOYSA-N 2 0 274.365 -1.594 20 0 CAADRP Cn1ncnc1C[NH2+]CCCNC(=O)COCC[NH+](C)C ZINC001171204943 781462068 /nfs/dbraw/zinc/46/20/68/781462068.db2.gz JAGVHGLVKXRUMA-UHFFFAOYSA-N 2 0 298.391 -1.011 20 0 CAADRP Cn1ncc(C[NH2+]CCCNC(=O)COCC[NH+](C)C)n1 ZINC001171206064 781462178 /nfs/dbraw/zinc/46/21/78/781462178.db2.gz YZSZFEISGKRFGN-UHFFFAOYSA-N 2 0 298.391 -1.011 20 0 CAADRP CNC(=O)[C@@H](C)[NH2+]CCCNC(=O)COCC[NH+](C)C ZINC001171205048 781462190 /nfs/dbraw/zinc/46/21/90/781462190.db2.gz KNWWZHKYXFCUQU-LLVKDONJSA-N 2 0 288.392 -1.205 20 0 CAADRP C[C@H]([NH2+]CCCNC(=O)COCC[NH+](C)C)C(N)=O ZINC001171205148 781462273 /nfs/dbraw/zinc/46/22/73/781462273.db2.gz NVCCLRQZZDFBPK-JTQLQIEISA-N 2 0 274.365 -1.466 20 0 CAADRP COC[C@H]1C[NH2+]CCN1[C@@H]1CN[C@H](C(=O)OC)C1 ZINC001246593476 781463764 /nfs/dbraw/zinc/46/37/64/781463764.db2.gz ICLYOZFMJLFAOH-AXFHLTTASA-N 2 0 257.334 -1.190 20 0 CAADRP C[N@@H+]1CC[C@H](CC(=O)NCCC[NH2+]CC(=O)NC(N)=O)C1 ZINC001171216837 781464072 /nfs/dbraw/zinc/46/40/72/781464072.db2.gz JCHKVRMNOZDXMD-SNVBAGLBSA-N 2 0 299.375 -1.381 20 0 CAADRP C[N@@H+]1CC[C@@H](CC(=O)NCCC[NH2+]CC(=O)NC(N)=O)C1 ZINC001171216836 781464153 /nfs/dbraw/zinc/46/41/53/781464153.db2.gz JCHKVRMNOZDXMD-JTQLQIEISA-N 2 0 299.375 -1.381 20 0 CAADRP COC(=O)[C@H]1C[C@@H]([N@@H+]2CCNC3(CC[NH2+]CC3)C2)CN1 ZINC001246599715 781465739 /nfs/dbraw/zinc/46/57/39/781465739.db2.gz DGWUGDNUQYFXLM-VXGBXAGGSA-N 2 0 282.388 -1.083 20 0 CAADRP C[C@H]([NH2+]CCNC(=O)C[C@@H]1CC[N@H+](C)C1)C(N)=O ZINC001147885987 781523516 /nfs/dbraw/zinc/52/35/16/781523516.db2.gz RCCRNSDGGUOXRA-UWVGGRQHSA-N 2 0 256.350 -1.092 20 0 CAADRP O=C([C@@H]1C[NH2+]CC12C[NH2+]C2)N1CCN2C(=O)COC[C@@H]2C1 ZINC001160791209 781478276 /nfs/dbraw/zinc/47/82/76/781478276.db2.gz ZHCCAMKTSODFNM-QWRGUYRKSA-N 2 0 294.355 -2.135 20 0 CAADRP O=C([C@H]1C[NH2+]CC12C[NH2+]C2)N1CCN2C(=O)COC[C@@H]2C1 ZINC001160791210 781478335 /nfs/dbraw/zinc/47/83/35/781478335.db2.gz ZHCCAMKTSODFNM-WDEREUQCSA-N 2 0 294.355 -2.135 20 0 CAADRP C1[NH2+]CC12C[C@H]([N@@H+]1C[C@@H]3COC[C@H](C1)N3)CCN2 ZINC001246672271 781480283 /nfs/dbraw/zinc/48/02/83/781480283.db2.gz JCHVBFPRMIBDJJ-GRYCIOLGSA-N 2 0 252.362 -1.247 20 0 CAADRP OC[C@@]12C[NH2+]C[C@@H]1C[N@@H+]([C@@H]1CCNC3(C[NH2+]C3)C1)C2 ZINC001246648399 781480784 /nfs/dbraw/zinc/48/07/84/781480784.db2.gz YBNBKTMDASGFNU-UPJWGTAASA-N 3 0 266.389 -1.406 20 0 CAADRP CS(=O)(=O)N(C1C[NH2+]C1)[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246828672 781482402 /nfs/dbraw/zinc/48/24/02/781482402.db2.gz FREAZPOEDYCGLN-SECBINFHSA-N 2 0 274.390 -1.686 20 0 CAADRP NC(=O)NCCC[C@@H]([NH3+])C(=O)N1C[C@H]([NH3+])CC(F)(F)C1 ZINC001160968243 781485091 /nfs/dbraw/zinc/48/50/91/781485091.db2.gz RLLXKCZCGCZNLD-HTQZYQBOSA-N 2 0 293.318 -1.043 20 0 CAADRP COC(=O)[C@@H]1C[NH2+]CCN1C1C[C@@H]2COC[C@H](C1)[NH2+]2 ZINC001246857266 781485800 /nfs/dbraw/zinc/48/58/00/781485800.db2.gz NWQWCWINSWMOMJ-MBYGNEARSA-N 2 0 269.345 -1.047 20 0 CAADRP CC[N@H+](C)CCC(=O)NCC[NH2+]CCN1C(=O)CNC1=O ZINC001146709649 781491165 /nfs/dbraw/zinc/49/11/65/781491165.db2.gz AMZLVQPKENAHKR-UHFFFAOYSA-N 2 0 299.375 -1.414 20 0 CAADRP O=C([C@@H]1C[NH2+]CC12C[NH2+]C2)N1CC(O)([C@@H]2CCCC[NH2+]2)C1 ZINC001160999276 781492025 /nfs/dbraw/zinc/49/20/25/781492025.db2.gz ALGSQSAZKRGWTC-RYUDHWBXSA-N 3 0 294.399 -1.489 20 0 CAADRP [NH3+]CCC[C@H]([NH3+])C(=O)N1CC(O)([C@H]2CCCC[NH2+]2)C1 ZINC001161000433 781492583 /nfs/dbraw/zinc/49/25/83/781492583.db2.gz SOONBZXNXZFTMV-WDEREUQCSA-N 3 0 270.377 -1.232 20 0 CAADRP O=C([C@@H]1C[NH2+]CC12C[NH2+]C2)N1CC(O)([C@H]2CCCC[NH2+]2)C1 ZINC001160999275 781492922 /nfs/dbraw/zinc/49/29/22/781492922.db2.gz ALGSQSAZKRGWTC-NWDGAFQWSA-N 3 0 294.399 -1.489 20 0 CAADRP O=C([C@H]1C[C@@H](O)C[NH2+]1)N1CC(O)([C@H]2CCCC[NH2+]2)C1 ZINC001160999457 781492976 /nfs/dbraw/zinc/49/29/76/781492976.db2.gz DYLKXVKACXSSQY-GMTAPVOTSA-N 2 0 269.345 -1.575 20 0 CAADRP O=C([C@@H]1C[C@H](O)C[NH2+]1)N1CC(O)([C@@H]2CCCC[NH2+]2)C1 ZINC001160999455 781493005 /nfs/dbraw/zinc/49/30/05/781493005.db2.gz DYLKXVKACXSSQY-DCAQKATOSA-N 2 0 269.345 -1.575 20 0 CAADRP NC(=O)NC(=O)C[NH2+]CCCNC(=O)C12CC[NH+](CC1)C2 ZINC001171293330 781498931 /nfs/dbraw/zinc/49/89/31/781498931.db2.gz HSVGKXJORYFRCL-UHFFFAOYSA-N 2 0 297.359 -1.627 20 0 CAADRP NC(=O)C[NH2+]CCCNC(=O)C12CC[NH+](CC1)C2 ZINC001171303710 781510476 /nfs/dbraw/zinc/51/04/76/781510476.db2.gz XNWBYXUYVUNCTE-UHFFFAOYSA-N 2 0 254.334 -1.337 20 0 CAADRP Cc1nc[nH]c1CC(=O)NCC[NH2+][C@@H](C)C(N)=O ZINC001149124943 781514311 /nfs/dbraw/zinc/51/43/11/781514311.db2.gz YCKVQEYPSQYTKF-QMMMGPOBSA-N 2 0 253.306 -1.160 20 0 CAADRP C[N@@H+]1CC[C@H](CC(=O)NCC[NH2+][C@@H]2CCNC2=O)C1 ZINC001147886033 781522565 /nfs/dbraw/zinc/52/25/65/781522565.db2.gz RTNQEKDJUDHWMC-GHMZBOCLSA-N 2 0 268.361 -1.078 20 0 CAADRP C[C@@H]([NH2+]CCNC(=O)C[C@@H]1CC[N@H+](C)C1)C(N)=O ZINC001147885989 781522688 /nfs/dbraw/zinc/52/26/88/781522688.db2.gz RCCRNSDGGUOXRA-ZJUUUORDSA-N 2 0 256.350 -1.092 20 0 CAADRP C[NH+](C)CCOCC(=O)NCC[NH2+][C@H]1CCCNC1=O ZINC001147847983 781522777 /nfs/dbraw/zinc/52/27/77/781522777.db2.gz BWYIANZVMIYXML-NSHDSACASA-N 2 0 286.376 -1.451 20 0 CAADRP CCCNC(=O)C[NH2+]CCNC(=O)COCC[NH+](C)C ZINC001147841820 781522877 /nfs/dbraw/zinc/52/28/77/781522877.db2.gz JOACDAUUKVOXAK-UHFFFAOYSA-N 2 0 288.392 -1.203 20 0 CAADRP C[N@@H+]1CC[C@@H](CC(=O)NCC[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001147885607 781522989 /nfs/dbraw/zinc/52/29/89/781522989.db2.gz NNLMFVXTEBKQGS-WDEREUQCSA-N 2 0 296.371 -1.161 20 0 CAADRP COCCOCC[NH2+]CCNC(=O)COCC[NH+](C)C ZINC001147848102 781523080 /nfs/dbraw/zinc/52/30/80/781523080.db2.gz FTOHCFDOTFVNQF-UHFFFAOYSA-N 2 0 291.392 -1.067 20 0 CAADRP C[C@H]([NH2+]CCNC(=O)COCC[NH+](C)C)C(=O)N(C)C ZINC001147891935 781523348 /nfs/dbraw/zinc/52/33/48/781523348.db2.gz FKSIJDHMJHXYTF-NSHDSACASA-N 2 0 288.392 -1.253 20 0 CAADRP C[C@H]([NH2+]CCNC(=O)C[C@H]1CC[N@H+](C)C1)C(N)=O ZINC001147885988 781523413 /nfs/dbraw/zinc/52/34/13/781523413.db2.gz RCCRNSDGGUOXRA-VHSXEESVSA-N 2 0 256.350 -1.092 20 0 CAADRP C[N@@H+]1CC[C@@H](CC(=O)NCC[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001147885605 781523461 /nfs/dbraw/zinc/52/34/61/781523461.db2.gz NNLMFVXTEBKQGS-QWRGUYRKSA-N 2 0 296.371 -1.161 20 0 CAADRP CCNC(=O)C[NH2+]CCNC(=O)COCC[NH+](C)C ZINC001147842305 781523571 /nfs/dbraw/zinc/52/35/71/781523571.db2.gz QSIFYIXJQRIGLQ-UHFFFAOYSA-N 2 0 274.365 -1.594 20 0 CAADRP C[C@H]([NH2+]CCNC(=O)COCC[NH+](C)C)C(N)=O ZINC001147848528 781524000 /nfs/dbraw/zinc/52/40/00/781524000.db2.gz ONESROACESEVQD-VIFPVBQESA-N 2 0 260.338 -1.856 20 0 CAADRP C[NH+](C)CCOCC(=O)NCC[NH2+][C@@H]1CCNC1=O ZINC001147848656 781524008 /nfs/dbraw/zinc/52/40/08/781524008.db2.gz RUMNIOFPTLMBHL-SNVBAGLBSA-N 2 0 272.349 -1.841 20 0 CAADRP CC[C@@H]([NH2+]CCNC(=O)COCC[NH+](C)C)C(N)=O ZINC001147892609 781524471 /nfs/dbraw/zinc/52/44/71/781524471.db2.gz KSVNOQNHUXFZSZ-SNVBAGLBSA-N 2 0 274.365 -1.466 20 0 CAADRP COCCOC[C@H](O)C[N@H+](C)CCN1CC[NH2+]CC1 ZINC000234863298 781524870 /nfs/dbraw/zinc/52/48/70/781524870.db2.gz RJZYBMNRDGUYBD-CYBMUJFWSA-N 2 0 275.393 -1.153 20 0 CAADRP CS(=O)(=O)CC[NH2+]CCNC(=O)C12CC[NH+](CC1)C2 ZINC001147970787 781524996 /nfs/dbraw/zinc/52/49/96/781524996.db2.gz PBOIQVRUAKQPSQ-UHFFFAOYSA-N 2 0 289.401 -1.167 20 0 CAADRP CNC(=O)[C@@H](C)[NH2+]CCNC(=O)COCC[NH+](C)C ZINC001147891967 781525052 /nfs/dbraw/zinc/52/50/52/781525052.db2.gz FUZDFMVBINUCFA-SNVBAGLBSA-N 2 0 274.365 -1.595 20 0 CAADRP C[NH+](C)CCOCC(=O)NCC[NH2+]CCn1cncn1 ZINC001147894044 781525132 /nfs/dbraw/zinc/52/51/32/781525132.db2.gz ZDHKURXTFDBPTH-UHFFFAOYSA-N 2 0 284.364 -1.438 20 0 CAADRP C[C@@H]([NH2+]CCNC(=O)C[C@H]1CC[N@H+](C)C1)C(=O)NC(N)=O ZINC001147899929 781525137 /nfs/dbraw/zinc/52/51/37/781525137.db2.gz CUDSEOBUGXMJNI-NXEZZACHSA-N 2 0 299.375 -1.383 20 0 CAADRP C[C@@H]([NH2+]CCNC(=O)C12CC[NH+](CC1)C2)C(N)=O ZINC001147977146 781526784 /nfs/dbraw/zinc/52/67/84/781526784.db2.gz LBHOFPJYDMUIEM-SECBINFHSA-N 2 0 254.334 -1.338 20 0 CAADRP C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N1C[C@H]2CCC[N@H+](C)[C@@H]2C1 ZINC001161085296 781526842 /nfs/dbraw/zinc/52/68/42/781526842.db2.gz SIKRGBZYYPKBDR-WHOHXGKFSA-N 2 0 298.387 -1.637 20 0 CAADRP C[C@H]([NH2+]CCNC(=O)C12CC[NH+](CC1)C2)C(=O)NC(N)=O ZINC001148000451 781527317 /nfs/dbraw/zinc/52/73/17/781527317.db2.gz PUAPIEKDGGFLBT-VIFPVBQESA-N 2 0 297.359 -1.629 20 0 CAADRP O=C(NCC[NH2+][C@H]1CCC(=O)NC1=O)C12CC[NH+](CC1)C2 ZINC001147977699 781527528 /nfs/dbraw/zinc/52/75/28/781527528.db2.gz WJWZMLUJGMMEQO-JTQLQIEISA-N 2 0 294.355 -1.407 20 0 CAADRP CCC[N@H+](C)CC(=O)NCC[NH2+]CCNS(C)(=O)=O ZINC001148642443 781537049 /nfs/dbraw/zinc/53/70/49/781537049.db2.gz JCFZEZGALGHNCR-UHFFFAOYSA-N 2 0 294.421 -1.417 20 0 CAADRP CCC[N@H+](C)CC(=O)NCC[NH2+]CC(=O)NC(N)=O ZINC001148639000 781538874 /nfs/dbraw/zinc/53/88/74/781538874.db2.gz XAPWMLLOOBHXLX-UHFFFAOYSA-N 2 0 273.337 -1.771 20 0 CAADRP COC(=O)[C@]1(N)CCN(C(=O)[C@@H]([NH3+])CCCC[NH3+])C1 ZINC001161138603 781539237 /nfs/dbraw/zinc/53/92/37/781539237.db2.gz WWEJSVWVUFUEKZ-CABZTGNLSA-N 2 0 272.349 -1.455 20 0 CAADRP CNC(=O)NC(=O)C[NH2+]CCCNC(=O)C[NH+]1CCCC1 ZINC001176102550 781597308 /nfs/dbraw/zinc/59/73/08/781597308.db2.gz GXUPHBWHYUYIFE-UHFFFAOYSA-N 2 0 299.375 -1.366 20 0 CAADRP C[N@@H+]1CC[C@H](C(=O)NCCC[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001176057708 781597321 /nfs/dbraw/zinc/59/73/21/781597321.db2.gz RMQZFFBESLLTMO-QWRGUYRKSA-N 2 0 296.371 -1.161 20 0 CAADRP NC(=O)NC(=O)C[NH2+]CCCNC(=O)C[NH+]1CCCC1 ZINC001176103458 781597341 /nfs/dbraw/zinc/59/73/41/781597341.db2.gz ZFMGBACMQTZXFX-UHFFFAOYSA-N 2 0 285.348 -1.627 20 0 CAADRP Cn1[nH]c(C[NH2+]CCCNC(=O)C[NH+]2CCCC2)nc1=O ZINC001176096283 781597361 /nfs/dbraw/zinc/59/73/61/781597361.db2.gz OISQNKMJPNUFRF-UHFFFAOYSA-N 2 0 296.375 -1.200 20 0 CAADRP C[C@@H]([NH2+]CCCNC(=O)[C@@H]1CC[N@H+](C)C1)C(=O)NC(N)=O ZINC001176096723 781597411 /nfs/dbraw/zinc/59/74/11/781597411.db2.gz YKRPDNIJSQDLJX-NXEZZACHSA-N 2 0 299.375 -1.383 20 0 CAADRP C[N@@H+]1CC[C@@H](C(=O)NCCC[NH2+][C@H]2CCNC2=O)C1 ZINC001176071549 781597446 /nfs/dbraw/zinc/59/74/46/781597446.db2.gz FRBIPBWRIRYMST-MNOVXSKESA-N 2 0 268.361 -1.078 20 0 CAADRP C[C@@H]([NH2+]CCCNC(=O)[C@@H]1CC[N@H+](C)C1)C(N)=O ZINC001176056590 781597526 /nfs/dbraw/zinc/59/75/26/781597526.db2.gz HRGSFTNVPLVOSC-NXEZZACHSA-N 2 0 256.350 -1.092 20 0 CAADRP Cn1[nH]c(C[NH2+]CCCNC(=O)[C@H]2CC[N@H+](C)C2)nc1=O ZINC001176072453 781597683 /nfs/dbraw/zinc/59/76/83/781597683.db2.gz ULDMZBZUHLSNPA-JTQLQIEISA-N 2 0 296.375 -1.344 20 0 CAADRP Cn1[nH]c(C[NH2+]CCCNC(=O)[C@@H]2CC[N@H+](C)C2)nc1=O ZINC001176072454 781598135 /nfs/dbraw/zinc/59/81/35/781598135.db2.gz ULDMZBZUHLSNPA-SNVBAGLBSA-N 2 0 296.375 -1.344 20 0 CAADRP CNC(=O)C[NH2+]CCCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001176058138 781598205 /nfs/dbraw/zinc/59/82/05/781598205.db2.gz VHWNJSRYUPYTSU-JTQLQIEISA-N 2 0 256.350 -1.220 20 0 CAADRP CN1CCO[C@H](C(=O)N(CCCC[NH3+])C(N)=[NH2+])C1 ZINC001180758217 781675388 /nfs/dbraw/zinc/67/53/88/781675388.db2.gz ANGXHJJDOUTNGF-VIFPVBQESA-N 2 0 257.338 -1.222 20 0 CAADRP C[C@H]1[C@@H]([NH2+]CC(=O)NC(N)=O)CCN1C(=O)CC[NH+](C)C ZINC001179481909 781649683 /nfs/dbraw/zinc/64/96/83/781649683.db2.gz MHDAHTRXHQBWMV-UWVGGRQHSA-N 2 0 299.375 -1.288 20 0 CAADRP CC[NH+](CC)CC(=O)NCCN(CC[NH3+])N(O)N=O ZINC001180391280 781664417 /nfs/dbraw/zinc/66/44/17/781664417.db2.gz RZEHRCXHYSKPOR-UHFFFAOYSA-N 2 0 276.341 -1.007 20 0 CAADRP NC(=[NH2+])N(CCCC[NH3+])C(=O)[C@H]1CSCC(=O)N1 ZINC001180556228 781668839 /nfs/dbraw/zinc/66/88/39/781668839.db2.gz PDQSVTFRRZRGNS-SSDOTTSWSA-N 2 0 273.362 -1.321 20 0 CAADRP NC(=O)C1CC[NH+](CCC(=O)NC2(C[NH3+])COC2)CC1 ZINC001180611833 781671097 /nfs/dbraw/zinc/67/10/97/781671097.db2.gz IJFMVNFTHMYKQS-UHFFFAOYSA-N 2 0 284.360 -1.582 20 0 CAADRP C[N@@H+]1CC[C@@H](C(=O)NCC[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001151056351 781698568 /nfs/dbraw/zinc/69/85/68/781698568.db2.gz LNPMVYNHOQGPNV-NXEZZACHSA-N 2 0 282.344 -1.551 20 0 CAADRP C[N@@H+]1CC[C@@H](C(=O)NCC[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001151056354 781700171 /nfs/dbraw/zinc/70/01/71/781700171.db2.gz LNPMVYNHOQGPNV-ZJUUUORDSA-N 2 0 282.344 -1.551 20 0 CAADRP CNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001151065937 781701074 /nfs/dbraw/zinc/70/10/74/781701074.db2.gz OKLIUMFEYNTBGC-VHSXEESVSA-N 2 0 256.350 -1.222 20 0 CAADRP CN1CC[C@H]([NH2+]CCNC(=O)[C@H]2CC[N@H+](C)C2)C1=O ZINC001151065705 781701302 /nfs/dbraw/zinc/70/13/02/781701302.db2.gz NCVVGEILDYYNRN-QWRGUYRKSA-N 2 0 268.361 -1.125 20 0 CAADRP C[N@@H+]1CC[C@H](C(=O)NCC[NH2+]CCN2C(=O)CCC2=O)C1 ZINC001151072989 781703490 /nfs/dbraw/zinc/70/34/90/781703490.db2.gz CACDEJSYSYHTSP-NSHDSACASA-N 2 0 296.371 -1.207 20 0 CAADRP CCOC(=O)CN(CC[NH3+])C(=O)C1(O)CC[NH+](C)CC1 ZINC001182036079 781704362 /nfs/dbraw/zinc/70/43/62/781704362.db2.gz LBRRATAXRAZPMQ-UHFFFAOYSA-N 2 0 287.360 -1.207 20 0 CAADRP CC(=O)N[C@@H](CCO)C(=O)N(CCCC[NH3+])C(N)=[NH2+] ZINC001182134647 781710271 /nfs/dbraw/zinc/71/02/71/781710271.db2.gz JJZSJPDEUIBCSP-VIFPVBQESA-N 2 0 273.337 -1.666 20 0 CAADRP O=C(C[NH+]1CCCC1)NCC[NH2+][C@H]1CCC(=O)NC1=O ZINC001151097632 781716040 /nfs/dbraw/zinc/71/60/40/781716040.db2.gz NNFQCVLUEFDWEX-JTQLQIEISA-N 2 0 282.344 -1.407 20 0 CAADRP NC(=[NH2+])N(CCCC[NH3+])C(=O)C1CS(=O)(=O)C1 ZINC001182815002 781728317 /nfs/dbraw/zinc/72/83/17/781728317.db2.gz FMTNXZHULHDBOB-UHFFFAOYSA-N 2 0 262.335 -1.508 20 0 CAADRP CC(C)[N@@H+]1CC[C@H]1C(=O)N1CN[C@H](N)[C@H]2NCN[C@@H]21 ZINC001182871660 781729906 /nfs/dbraw/zinc/72/99/06/781729906.db2.gz SOMKIEWAYQNMKG-ZRUFSTJUSA-N 2 0 268.365 -2.012 20 0 CAADRP CN1CC[N@H+](C)C[C@H]1C(=O)NCCN1CCC[NH+](C)CC1 ZINC001185261299 781779714 /nfs/dbraw/zinc/77/97/14/781779714.db2.gz DIWRJGDQTYWAPV-AWEZNQCLSA-N 2 0 297.447 -1.014 20 0 CAADRP CN1CC[N@H+](C)C[C@H]1C(=O)NC1(CO)CC[NH+](C)CC1 ZINC001185268574 781781892 /nfs/dbraw/zinc/78/18/92/781781892.db2.gz DIBYXVWVAPEUGQ-LBPRGKRZSA-N 2 0 284.404 -1.195 20 0 CAADRP C[C@H]([NH2+][C@@H]1CCN(C(=O)CC[NH+](C)C)C1)C(=O)NC(N)=O ZINC001185401415 781784798 /nfs/dbraw/zinc/78/47/98/781784798.db2.gz PRMDQEPSROZPRR-VHSXEESVSA-N 2 0 299.375 -1.288 20 0 CAADRP C[NH+](C)CCC(=O)N1CC[C@@H]([NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001185408715 781784822 /nfs/dbraw/zinc/78/48/22/781784822.db2.gz WYLTULSFZCEJSN-MNOVXSKESA-N 2 0 296.371 -1.066 20 0 CAADRP CNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001185407928 781785780 /nfs/dbraw/zinc/78/57/80/781785780.db2.gz HLIQVMMMDQEPOJ-SNVBAGLBSA-N 2 0 299.375 -1.416 20 0 CAADRP CNC(=O)C[NH2+][C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001185385535 781786199 /nfs/dbraw/zinc/78/61/99/781786199.db2.gz QAEGXHDPIQLNHE-SNVBAGLBSA-N 2 0 256.350 -1.125 20 0 CAADRP CC[C@@H](C(=O)N1CC[C@@H]([NH2+]CC(=O)NC(N)=O)C1)[NH+](C)C ZINC001185715640 781788513 /nfs/dbraw/zinc/78/85/13/781788513.db2.gz GXQIQOZJENIHOD-ZJUUUORDSA-N 2 0 299.375 -1.288 20 0 CAADRP C[N@@H+]1CCC[C@H](C(=O)NCCN(CC[NH3+])N(O)N=O)C1 ZINC001186363924 781805241 /nfs/dbraw/zinc/80/52/41/781805241.db2.gz FXEHQVWQEHAXPX-JTQLQIEISA-N 2 0 288.352 -1.007 20 0 CAADRP CC[NH+](CC)CC(=O)N1CC[C@@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001186459015 781805551 /nfs/dbraw/zinc/80/55/51/781805551.db2.gz SRONAIJLEOQWOQ-SNVBAGLBSA-N 2 0 299.375 -1.286 20 0 CAADRP [NH3+][C@@H]1CN(Cc2cnc3n2CC[NH2+]CC3)C[C@H]1O ZINC001205352318 781805906 /nfs/dbraw/zinc/80/59/06/781805906.db2.gz IIFAUCMVGGMUHH-GHMZBOCLSA-N 2 0 251.334 -1.467 20 0 CAADRP C[C@H]([NH2+][C@@H]1CCN(C(=O)COCC[NH+](C)C)C1)C(N)=O ZINC001187106950 781815078 /nfs/dbraw/zinc/81/50/78/781815078.db2.gz RQTNSPBZDAZGDX-WDEREUQCSA-N 2 0 286.376 -1.371 20 0 CAADRP CCC[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001187291602 781816406 /nfs/dbraw/zinc/81/64/06/781816406.db2.gz WRKKQMDNAPYUSZ-SNVBAGLBSA-N 2 0 299.375 -1.286 20 0 CAADRP CNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001187817933 781830470 /nfs/dbraw/zinc/83/04/70/781830470.db2.gz LRXZMVDBJCTJEA-GHMZBOCLSA-N 2 0 268.361 -1.125 20 0 CAADRP NC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)Cn2ccnc2)C1 ZINC001188369364 781837129 /nfs/dbraw/zinc/83/71/29/781837129.db2.gz WWMYNFFKXUSIBI-SECBINFHSA-N 2 0 294.315 -1.732 20 0 CAADRP CC[N@H+](C)CCC(=O)N[C@H](C)C[NH2+]CC(=O)NC(N)=O ZINC001420358638 890434072 /nfs/dbraw/zinc/43/40/72/890434072.db2.gz BRTJQEIGWWDRKA-SECBINFHSA-N 2 0 287.364 -1.383 20 0 CAADRP C[C@H](C[NH2+]CC(N)=O)NC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001422602267 890603180 /nfs/dbraw/zinc/60/31/80/890603180.db2.gz KMAZLQDQOQGXSA-WDEREUQCSA-N 2 0 286.376 -1.466 20 0 CAADRP C[C@H](O)C[NH2+][C@@H](CO)CNC(=O)C12CC[NH+](CC1)C2 ZINC001425830037 890828771 /nfs/dbraw/zinc/82/87/71/890828771.db2.gz IBMYKPOPWSFVJV-WDEREUQCSA-N 2 0 271.361 -1.470 20 0 CAADRP CC[C@@H](C(=O)N(C)C[C@@H](O)C[NH2+]CC(=O)NC)[NH+](C)C ZINC001426036855 890847814 /nfs/dbraw/zinc/84/78/14/890847814.db2.gz AMBWPYOWEMXIRX-QWRGUYRKSA-N 2 0 288.392 -1.519 20 0 CAADRP [NH3+]CCNCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC001522652104 894242627 /nfs/dbraw/zinc/24/26/27/894242627.db2.gz SPOASCAAFDHQJA-RNFRBKRXSA-N 2 0 254.256 -1.117 20 0 CAADRP COC(=O)[C@H](CCCC[NH3+])NC[C@]1(O)CC[NH2+]C1 ZINC001245978151 884079157 /nfs/dbraw/zinc/07/91/57/884079157.db2.gz JFKMXPYFSOVYOC-JQWIXIFHSA-N 2 0 259.350 -1.029 20 0 CAADRP COC(=O)[C@@H]1CN(C[C@@]2(O)CCC[NH2+]C2)C[C@H]1[NH3+] ZINC001246051254 884079176 /nfs/dbraw/zinc/07/91/76/884079176.db2.gz JIEIXDJIMZJQPH-CKYFFXLPSA-N 2 0 257.334 -1.467 20 0 CAADRP [NH3+][C@H]1CCN(C(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC001326088735 884767519 /nfs/dbraw/zinc/76/75/19/884767519.db2.gz WDSPEOVIWGFCLM-UWVGGRQHSA-N 2 0 254.334 -1.196 20 0 CAADRP O=C(C[C@@H]1C[NH2+]CCO1)NC[C@H]1C[NH2+]CCCO1 ZINC001326923784 884847795 /nfs/dbraw/zinc/84/77/95/884847795.db2.gz QIRBONOEABUNTD-GHMZBOCLSA-N 2 0 257.334 -1.140 20 0 CAADRP C([C@@H]1CNCCO1)[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC001327597712 884909140 /nfs/dbraw/zinc/90/91/40/884909140.db2.gz SPCWAUFUVUUCRF-OLZOCXBDSA-N 2 0 254.378 -1.046 20 0 CAADRP O=C(CO[C@H]1CCC[NH2+]C1)N1CCOC2(C[NH2+]C2)C1 ZINC001327704771 884920048 /nfs/dbraw/zinc/92/00/48/884920048.db2.gz QCSWQBJIBSIDMP-NSHDSACASA-N 2 0 269.345 -1.044 20 0 CAADRP [NH3+]CCOCC(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC001328203745 884958731 /nfs/dbraw/zinc/95/87/31/884958731.db2.gz QPSOXLBQPBFAOZ-NSHDSACASA-N 2 0 256.350 -1.532 20 0 CAADRP CON(C)C(=O)C[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC001327990967 884945638 /nfs/dbraw/zinc/94/56/38/884945638.db2.gz BVMCDEPFPVVKEM-NSHDSACASA-N 2 0 274.365 -1.796 20 0 CAADRP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)[C@]2(F)CC[NH2+]C2)n1 ZINC001328454108 884986947 /nfs/dbraw/zinc/98/69/47/884986947.db2.gz CVNYOSUWUCADDB-NSHDSACASA-N 2 0 269.280 -1.041 20 0 CAADRP C([C@@H]1C[NH2+]CCO1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC001330584885 885205221 /nfs/dbraw/zinc/20/52/21/885205221.db2.gz PJCKSXVRGYVEFG-STQMWFEESA-N 2 0 254.378 -1.046 20 0 CAADRP CO[C@@H](C[NH3+])C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC001330877893 885236908 /nfs/dbraw/zinc/23/69/08/885236908.db2.gz YTHINROHNSIKGL-AXFHLTTASA-N 2 0 267.333 -1.353 20 0 CAADRP O=C(CN1CC[NH2+]CC1)NC[C@H]1C[NH2+]CCCO1 ZINC001331706592 885319880 /nfs/dbraw/zinc/31/98/80/885319880.db2.gz HNAXLNMEJGUKRY-LLVKDONJSA-N 2 0 256.350 -1.614 20 0 CAADRP CO[C@@H](C[NH3+])C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC001331969935 885368467 /nfs/dbraw/zinc/36/84/67/885368467.db2.gz SIDYEIYTQHWMKP-QWRGUYRKSA-N 2 0 256.350 -1.534 20 0 CAADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]CC2(CO)CC2)CC1 ZINC001332357972 885402475 /nfs/dbraw/zinc/40/24/75/885402475.db2.gz WDKJTGKQXLAKLG-LBPRGKRZSA-N 2 0 257.378 -1.043 20 0 CAADRP COCC[NH2+]CC(=O)N[C@@H]1CCCN(CC(N)=O)C1 ZINC001332518183 885416229 /nfs/dbraw/zinc/41/62/29/885416229.db2.gz WRTDQVVJKGSGHQ-SNVBAGLBSA-N 2 0 272.349 -1.712 20 0 CAADRP C[C@H]1CC[N@H+](CC(=O)N(C)C[C@H](O)C[NH2+]CCO)C1 ZINC001332566303 885421806 /nfs/dbraw/zinc/42/18/06/885421806.db2.gz NROVOGVCMYEKNN-NWDGAFQWSA-N 2 0 273.377 -1.271 20 0 CAADRP COC[C@@]1(C(=O)N2CC[C@@H](C[NH3+])C2)C[NH2+]CCO1 ZINC001332958169 885450505 /nfs/dbraw/zinc/45/05/05/885450505.db2.gz HLXYUBXDSLFVJA-CMPLNLGQSA-N 2 0 257.334 -1.201 20 0 CAADRP C[NH+](C)CCOCCNC(=O)C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC001333958872 885512971 /nfs/dbraw/zinc/51/29/71/885512971.db2.gz JPMUUUXEXVRYNL-PHIMTYICSA-N 2 0 286.376 -1.466 20 0 CAADRP C[NH2+]CCOCCNC(=O)N1CCNCC[NH2+]CC1 ZINC001335594215 885623746 /nfs/dbraw/zinc/62/37/46/885623746.db2.gz YVZJCSSCVUDQLV-UHFFFAOYSA-N 2 0 273.381 -1.573 20 0 CAADRP C[C@@H]1C[NH2+]C[C@H]1NC(=O)NCC[N@@H+]1CC[C@@H](O)C1 ZINC001336164075 885648816 /nfs/dbraw/zinc/64/88/16/885648816.db2.gz SIJJUUZWDDDBEU-GMTAPVOTSA-N 2 0 256.350 -1.040 20 0 CAADRP C[NH2+]CCOCCN(C)C(=O)c1cn(CCC[NH3+])nn1 ZINC001336742045 885682528 /nfs/dbraw/zinc/68/25/28/885682528.db2.gz FUEXMOWGMVABNH-UHFFFAOYSA-N 2 0 284.364 -1.065 20 0 CAADRP C[C@H](C[NH2+]CCC(=O)NC(N)=O)N1CC[NH+](C)CC1 ZINC001336762698 885682690 /nfs/dbraw/zinc/68/26/90/885682690.db2.gz IGMWIUQLIJBSSR-SNVBAGLBSA-N 2 0 271.365 -1.203 20 0 CAADRP O=C(NC[C@@H]1C[NH2+]CCO1)[C@]12C[NH2+]C[C@H]1CCOC2 ZINC001340471450 885803924 /nfs/dbraw/zinc/80/39/24/885803924.db2.gz KZNABJGLFHACAO-MDZLAQPJSA-N 2 0 269.345 -1.283 20 0 CAADRP COC1CC[NH+](CCNC(=O)C[C@H](O)C[NH3+])CC1 ZINC001340236007 885798518 /nfs/dbraw/zinc/79/85/18/885798518.db2.gz XBLCSQSVCQSVPR-JTQLQIEISA-N 2 0 259.350 -1.077 20 0 CAADRP [NH3+]C[C@@H](O)CNC(=O)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC001340756820 885812779 /nfs/dbraw/zinc/81/27/79/885812779.db2.gz ZHWNJIKKXRBSJQ-SVRRBLITSA-N 2 0 255.240 -1.036 20 0 CAADRP C[NH2+]C[C@H](O)CN(C)C(=O)[C@H]([NH3+])Cc1ccccn1 ZINC001340746376 885813358 /nfs/dbraw/zinc/81/33/58/885813358.db2.gz HGDUVYWRRVXWKD-NWDGAFQWSA-N 2 0 266.345 -1.010 20 0 CAADRP C[C@@H]([NH3+])CONC(=O)[C@H]1CC(=O)N(C2C[NH2+]C2)C1 ZINC001340766721 885813368 /nfs/dbraw/zinc/81/33/68/885813368.db2.gz GNRXZJQUBSEJQO-SFYZADRCSA-N 2 0 256.306 -1.798 20 0 CAADRP [NH3+]C[C@H](O)CNC(=O)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC001340756822 885811299 /nfs/dbraw/zinc/81/12/99/885811299.db2.gz ZHWNJIKKXRBSJQ-XPUUQOCRSA-N 2 0 255.240 -1.036 20 0 CAADRP C[C@@H]([NH3+])CN(C)C(=O)[C@@H]1CC(=O)N(C2C[NH2+]C2)C1 ZINC001340866795 885821166 /nfs/dbraw/zinc/82/11/66/885821166.db2.gz LXXMZHFSHQPWIO-RKDXNWHRSA-N 2 0 254.334 -1.388 20 0 CAADRP [NH3+]CCN1CCC[C@H](C(=O)NC[C@@H]2C[NH2+]CCO2)C1=O ZINC001341098400 885828165 /nfs/dbraw/zinc/82/81/65/885828165.db2.gz SWAFKGNWJZHJIF-WDEREUQCSA-N 2 0 284.360 -1.712 20 0 CAADRP CC(C)[C@@H]([NH3+])CNC(=O)[C@@H]1CC(=O)N(C2C[NH2+]C2)C1 ZINC001341241487 885831223 /nfs/dbraw/zinc/83/12/23/885831223.db2.gz KIHKRJRNMFUYST-KOLCDFICSA-N 2 0 268.361 -1.094 20 0 CAADRP [NH3+]C[C@H]1CN(C(=O)[C@]23C[NH2+]C[C@H]2CCOC3)CCO1 ZINC001341649107 885848496 /nfs/dbraw/zinc/84/84/96/885848496.db2.gz DKWNKRKAKLYKGY-MDZLAQPJSA-N 2 0 269.345 -1.201 20 0 CAADRP C[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(C3C[NH2+]C3)C2)CC[NH2+]1 ZINC001341660001 885848707 /nfs/dbraw/zinc/84/87/07/885848707.db2.gz PVXBSJSMYCRDEW-NXEZZACHSA-N 2 0 266.345 -1.373 20 0 CAADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)CNCC[NH3+] ZINC001341683727 885854816 /nfs/dbraw/zinc/85/48/16/885854816.db2.gz IPKUYNCYIMNYBR-LBPRGKRZSA-N 2 0 299.419 -1.406 20 0 CAADRP COC[C@H]([NH3+])C(=O)NCCC[NH+]1CCC(O)CC1 ZINC001341660983 885854882 /nfs/dbraw/zinc/85/48/82/885854882.db2.gz AHDFHRXNJRICQP-NSHDSACASA-N 2 0 259.350 -1.077 20 0 CAADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)[C@@H]([NH3+])C(C)(C)O ZINC001341735051 885854997 /nfs/dbraw/zinc/85/49/97/885854997.db2.gz ZWEONAMNGHIOED-VHSXEESVSA-N 2 0 258.366 -1.553 20 0 CAADRP COCC[NH+]1CCC(NC(=O)CNCC[NH3+])CC1 ZINC001341672675 885855394 /nfs/dbraw/zinc/85/53/94/885855394.db2.gz LHKWYEYHAUZRGD-UHFFFAOYSA-N 2 0 258.366 -1.238 20 0 CAADRP CN(C(=O)c1cn(CCC[NH3+])nn1)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001342130591 885870898 /nfs/dbraw/zinc/87/08/98/885870898.db2.gz WKFVOZADZJFQCO-JZYVYDRUSA-N 2 0 264.333 -1.083 20 0 CAADRP C[NH2+]C[C@H](O)[C@@H](C)C(=O)N1CCOC2(C[NH2+]C2)C1 ZINC001342190934 885874884 /nfs/dbraw/zinc/87/48/84/885874884.db2.gz YBRCKPUQFHTNGU-ZJUUUORDSA-N 2 0 257.334 -1.596 20 0 CAADRP C[NH2+]C[C@H](O)[C@H](C)C(=O)N[C@@H]1COC2(C[NH2+]C2)C1 ZINC001342215737 885875736 /nfs/dbraw/zinc/87/57/36/885875736.db2.gz NQHDIVLNTXAXCI-GUBZILKMSA-N 2 0 257.334 -1.550 20 0 CAADRP O=C([C@@H](F)[C@@H]1CC[NH2+]C1)N1CCNCC[NH2+]CC1 ZINC001341839208 885857196 /nfs/dbraw/zinc/85/71/96/885857196.db2.gz METIEVHJLIDLNQ-MNOVXSKESA-N 2 0 258.341 -1.045 20 0 CAADRP O=C([C@@H](F)[C@H]1CC[NH2+]C1)N1CCNCC[NH2+]CC1 ZINC001341839209 885858092 /nfs/dbraw/zinc/85/80/92/885858092.db2.gz METIEVHJLIDLNQ-QWRGUYRKSA-N 2 0 258.341 -1.045 20 0 CAADRP [NH3+][C@]1(CO)CCCN(C(=O)C[C@@H]2COCC[NH2+]2)C1 ZINC001341856258 885861411 /nfs/dbraw/zinc/86/14/11/885861411.db2.gz ATQNJSTWFSBVDJ-ZYHUDNBSSA-N 2 0 257.334 -1.323 20 0 CAADRP C[NH2+]CCOCCNC(=O)[C@H]1CCCN(CC[NH3+])C1=O ZINC001342219390 885880777 /nfs/dbraw/zinc/88/07/77/885880777.db2.gz JJSZGUSZPSNPFX-LLVKDONJSA-N 2 0 286.376 -1.464 20 0 CAADRP C[C@H]([NH3+])CN(C)C(=O)[C@@H]1CCCN(CC[NH3+])C1=O ZINC001342338668 885881947 /nfs/dbraw/zinc/88/19/47/885881947.db2.gz VMALAVRLOIWQPV-UWVGGRQHSA-N 2 0 256.350 -1.011 20 0 CAADRP O=C(C[C@H]1COCC[NH2+]1)N[C@@H]1COC2(C[NH2+]C2)C1 ZINC001342215534 885876222 /nfs/dbraw/zinc/87/62/22/885876222.db2.gz MCUOXBCUTIQPKX-UWVGGRQHSA-N 2 0 255.318 -1.388 20 0 CAADRP CN1CCN(C(=O)CNC(=O)C[NH3+])CC[N@H+](C)CC1 ZINC001342154662 885876393 /nfs/dbraw/zinc/87/63/93/885876393.db2.gz DQITXANDTWGILT-UHFFFAOYSA-N 2 0 271.365 -2.233 20 0 CAADRP C[C@]1(C(=O)N2CCC[C@@]([NH3+])(CO)C2)C[NH2+]CCO1 ZINC001342628706 885895154 /nfs/dbraw/zinc/89/51/54/885895154.db2.gz RJLOROKAZKSXGJ-NEPJUHHUSA-N 2 0 257.334 -1.323 20 0 CAADRP C[C@]1(C(=O)N2CCC[C@]([NH3+])(CO)C2)C[NH2+]CCO1 ZINC001342628712 885895359 /nfs/dbraw/zinc/89/53/59/885895359.db2.gz RJLOROKAZKSXGJ-VXGBXAGGSA-N 2 0 257.334 -1.323 20 0 CAADRP C[C@@]1(C(=O)N2CCC[C@]([NH3+])(CO)C2)C[NH2+]CCO1 ZINC001342628709 885894255 /nfs/dbraw/zinc/89/42/55/885894255.db2.gz RJLOROKAZKSXGJ-NWDGAFQWSA-N 2 0 257.334 -1.323 20 0 CAADRP C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)CNC(=O)C[NH3+])[C@H]2C1 ZINC001343592510 885920884 /nfs/dbraw/zinc/92/08/84/885920884.db2.gz MVRSDXAGJSZUPR-LPEHRKFASA-N 2 0 254.334 -1.482 20 0 CAADRP [NH3+]C[C@H]1CN(C(=O)C[C@H]2C[NH2+]CCO2)CCCO1 ZINC001345897065 885972281 /nfs/dbraw/zinc/97/22/81/885972281.db2.gz SGDPFKCLDYVCNC-QWRGUYRKSA-N 2 0 257.334 -1.059 20 0 CAADRP C[NH2+][C@H](C)CCNC(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC001346003794 885977438 /nfs/dbraw/zinc/97/74/38/885977438.db2.gz ZYWMIFVOSOXLCL-ZJUUUORDSA-N 2 0 256.350 -1.031 20 0 CAADRP C[NH2+][C@@H](C)CCNC(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC001346003792 885978797 /nfs/dbraw/zinc/97/87/97/885978797.db2.gz ZYWMIFVOSOXLCL-UWVGGRQHSA-N 2 0 256.350 -1.031 20 0 CAADRP C[NH+]1CCN(C[C@@H](O)C[NH2+][C@H]2[C@@H]3COC[C@@H]32)CC1 ZINC001345639470 885966599 /nfs/dbraw/zinc/96/65/99/885966599.db2.gz UGRCXTLZKZWFBQ-WUHRBBMRSA-N 2 0 255.362 -1.171 20 0 CAADRP CN1CCN(C(=O)C2=NO[C@@H](C[NH3+])C2)[C@@H](CO)C1 ZINC001346227534 885993376 /nfs/dbraw/zinc/99/33/76/885993376.db2.gz ALNGJFHUFNIEOY-RKDXNWHRSA-N 2 0 256.306 -1.775 20 0 CAADRP [NH3+]CC(=O)NCC(=O)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC001346028402 885982390 /nfs/dbraw/zinc/98/23/90/885982390.db2.gz GXPMVPJHQRBMGT-MNOVXSKESA-N 2 0 268.361 -1.091 20 0 CAADRP [NH3+][C@@H]1CCN(C(=O)CCNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC001349139617 886115794 /nfs/dbraw/zinc/11/57/94/886115794.db2.gz WDSPEOVIWGFCLM-NXEZZACHSA-N 2 0 254.334 -1.196 20 0 CAADRP [NH3+]C[C@@H]1CC(C(=O)NC[C@@H]2C[NH2+]CCCO2)=NO1 ZINC001350409386 886169501 /nfs/dbraw/zinc/16/95/01/886169501.db2.gz GZKCFWASTCTUQA-IUCAKERBSA-N 2 0 256.306 -1.415 20 0 CAADRP [NH3+]C[C@H]1CC(C(=O)NC[C@H]2C[NH2+]CCCO2)=NO1 ZINC001350409389 886171915 /nfs/dbraw/zinc/17/19/15/886171915.db2.gz GZKCFWASTCTUQA-RKDXNWHRSA-N 2 0 256.306 -1.415 20 0 CAADRP C[NH2+]C[C@@H](C)CNS(=O)(=O)C[C@H]1C[NH2+]CCO1 ZINC001351798614 886228032 /nfs/dbraw/zinc/22/80/32/886228032.db2.gz AMGXJGBPVNIQSY-NXEZZACHSA-N 2 0 265.379 -1.250 20 0 CAADRP [NH3+]CC1(C(=O)N[C@H]2COC3(C[NH2+]C3)C2)CC(O)C1 ZINC001354259040 886304460 /nfs/dbraw/zinc/30/44/60/886304460.db2.gz HGBUPGURCSTPBL-FKTRJACZSA-N 2 0 255.318 -1.667 20 0 CAADRP [NH3+]CCN1CCC[C@H](C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)C1=O ZINC001353656180 886283191 /nfs/dbraw/zinc/28/31/91/886283191.db2.gz VHNZLNSZKVDJJF-ZNSHCXBVSA-N 2 0 266.345 -1.482 20 0 CAADRP COC[C@@]1(C(=O)N[C@@H]2C[NH2+]C[C@@H]2O)C[NH2+]CCO1 ZINC001354343320 886309771 /nfs/dbraw/zinc/30/97/71/886309771.db2.gz NCUOSMRHNGTCMP-WCABBAIRSA-N 2 0 259.306 -2.560 20 0 CAADRP [NH3+]C[C@H]1C[C@H](NC(=O)CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC001355533749 886345922 /nfs/dbraw/zinc/34/59/22/886345922.db2.gz LDCRDSQNOIJUGN-OPRDCNLKSA-N 2 0 254.334 -1.292 20 0 CAADRP C[NH+]1CCN(CC[NH2+]C[C@H](O)C[C@@]2(O)CCOC2)CC1 ZINC001356543992 886369730 /nfs/dbraw/zinc/36/97/30/886369730.db2.gz CBWBKGHXOJZHHC-KGLIPLIRSA-N 2 0 287.404 -1.274 20 0 CAADRP C[NH2+]C[C@H](O)[C@@H](C)C(=O)NCC[N@H+](C)CCOC ZINC001357391675 886403698 /nfs/dbraw/zinc/40/36/98/886403698.db2.gz KZTAOFUVCFWJHU-MNOVXSKESA-N 2 0 261.366 -1.103 20 0 CAADRP O=C(C[C@H]1C[NH2+]CCO1)N[C@@H]1COC2(C[NH2+]C2)C1 ZINC001357842871 886415005 /nfs/dbraw/zinc/41/50/05/886415005.db2.gz HITIHLBQMGEJEP-UWVGGRQHSA-N 2 0 255.318 -1.388 20 0 CAADRP O=C(NCC1(O)C[NH2+]C1)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC001357821558 886415016 /nfs/dbraw/zinc/41/50/16/886415016.db2.gz ZCLUDYLHUQJAMU-VIFPVBQESA-N 2 0 267.251 -1.021 20 0 CAADRP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC001358467031 886426672 /nfs/dbraw/zinc/42/66/72/886426672.db2.gz JTICYTSJZPRASU-VPOLOUISSA-N 2 0 266.345 -1.136 20 0 CAADRP CC(C)[N@H+](C)CC(=O)NC[C@H](O)C[NH2+][C@H]1CCNC1=O ZINC001367632065 887416112 /nfs/dbraw/zinc/41/61/12/887416112.db2.gz SLSRORGDKBBIEN-MNOVXSKESA-N 2 0 286.376 -1.718 20 0 CAADRP C[C@H]([NH2+]C[C@H](O)CNC(=O)C1([NH+](C)C)CCC1)C(N)=O ZINC001392377471 888690833 /nfs/dbraw/zinc/69/08/33/888690833.db2.gz SGXBUDRRCHWDJS-UWVGGRQHSA-N 2 0 286.376 -1.589 20 0 CAADRP CNC(=O)[C@H](C)[NH2+][C@@H](CO)CNC(=O)C[NH+]1CCCC1 ZINC001394653458 888875536 /nfs/dbraw/zinc/87/55/36/888875536.db2.gz NSLUVNUDFKGQNX-WDEREUQCSA-N 2 0 286.376 -1.717 20 0 CAADRP CC(C)[C@@H](C(=O)N(C)C[C@@H](O)C[NH2+]CC(N)=O)[NH+](C)C ZINC001394762966 888894106 /nfs/dbraw/zinc/89/41/06/888894106.db2.gz YANWZBHVCCYSIU-JQWIXIFHSA-N 2 0 288.392 -1.533 20 0 CAADRP C[C@@H]1[C@H](C(=O)NC[C@H](O)C[NH2+]CC(N)=O)CC[N@@H+]1C ZINC001401518819 889149302 /nfs/dbraw/zinc/14/93/02/889149302.db2.gz YDKZTBFITRWRJR-OPRDCNLKSA-N 2 0 272.349 -2.121 20 0 CAADRP C[NH+](C)C1(C(=O)NC[C@@H](O)C[NH2+]CC(N)=O)CCC1 ZINC001401546006 889152430 /nfs/dbraw/zinc/15/24/30/889152430.db2.gz HEAVEFULSCRSPK-VIFPVBQESA-N 2 0 272.349 -1.977 20 0 CAADRP C[C@H]([NH2+]C[C@@H](O)CNC(=O)C1CC[NH+](C)CC1)C(N)=O ZINC001401564120 889157669 /nfs/dbraw/zinc/15/76/69/889157669.db2.gz VSEPFXSXSNFHKD-GXSJLCMTSA-N 2 0 286.376 -1.731 20 0 CAADRP C[C@@H](C[NH2+]CC(=O)NC(N)=O)N(C)C(=O)CC[NH+](C)C ZINC001419710772 890345999 /nfs/dbraw/zinc/34/59/99/890345999.db2.gz LUDJGNDGMYTHFO-VIFPVBQESA-N 2 0 287.364 -1.431 20 0 CAADRP CC(C)(C(=O)NC[C@H](O)C[NH2+]CC(N)=O)[NH+]1CCCC1 ZINC001420152353 890402802 /nfs/dbraw/zinc/40/28/02/890402802.db2.gz BVCGAHLHHKITMX-SNVBAGLBSA-N 2 0 286.376 -1.587 20 0 CAADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CCNCC[NH2+]CC1 ZINC001120638919 884053644 /nfs/dbraw/zinc/05/36/44/884053644.db2.gz VRVRFKOBHPRNNJ-WDEREUQCSA-N 2 0 255.366 -1.059 20 0 CAADRP C[C@@H]([NH2+]CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(N)=O ZINC001127638829 884058432 /nfs/dbraw/zinc/05/84/32/884058432.db2.gz RNWRSETVWCWFQQ-OPRDCNLKSA-N 2 0 256.350 -1.094 20 0 CAADRP C[C@H]([NH2+]CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(=O)NC(N)=O ZINC001127653013 884058727 /nfs/dbraw/zinc/05/87/27/884058727.db2.gz JIJPGBJIQOJJDT-IVZWLZJFSA-N 2 0 299.375 -1.384 20 0 CAADRP CNC(=O)C[NH2+]CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001127639052 884059382 /nfs/dbraw/zinc/05/93/82/884059382.db2.gz SMTIJJLPYTWVMF-NXEZZACHSA-N 2 0 256.350 -1.222 20 0 CAADRP CNC(=O)[C@H](CCCC[NH3+])NC(=O)C[C@H](O)C[NH3+] ZINC001157322863 884065398 /nfs/dbraw/zinc/06/53/98/884065398.db2.gz AXMFOXPPXISVJS-IUCAKERBSA-N 2 0 260.338 -1.944 20 0 CAADRP CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H]([NH3+])Cc1cnc[nH]1 ZINC001157322866 884065463 /nfs/dbraw/zinc/06/54/63/884065463.db2.gz BAECXVNAHYWPQP-QWRGUYRKSA-N 2 0 296.375 -1.361 20 0 CAADRP C[NH+](C)CCC(=O)NC[C@H]1C[C@H]([NH2+]CC(N)=O)C1 ZINC001316637785 884152050 /nfs/dbraw/zinc/15/20/50/884152050.db2.gz ROEPAGGKSOEBLO-MGCOHNPYSA-N 2 0 256.350 -1.092 20 0 CAADRP CNC(=O)C[NH2+][C@@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001317228060 884178539 /nfs/dbraw/zinc/17/85/39/884178539.db2.gz DYTYDISRRKQXBZ-VHSXEESVSA-N 2 0 256.350 -1.079 20 0 CAADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)CN1C(=O)CNC1=O ZINC001318920631 884301710 /nfs/dbraw/zinc/30/17/10/884301710.db2.gz NTQHVOAALMEEOT-UHFFFAOYSA-N 2 0 299.375 -1.510 20 0 CAADRP C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](O)C[NH2+]CCCO ZINC001320204184 884383580 /nfs/dbraw/zinc/38/35/80/884383580.db2.gz OPCQBNQDYJLZIP-QWRGUYRKSA-N 2 0 259.350 -1.470 20 0 CAADRP C[NH+](C)C1(C(=O)NC[C@@H](O)C[NH2+]CCCO)CCC1 ZINC001320234730 884397864 /nfs/dbraw/zinc/39/78/64/884397864.db2.gz MMJINXKJJXQBGI-NSHDSACASA-N 2 0 273.377 -1.080 20 0 CAADRP COCC[NH2+]C[C@@H](O)CNC(=O)C[NH+]1CCCC1 ZINC001320313545 884413809 /nfs/dbraw/zinc/41/38/09/884413809.db2.gz MKLKLJYDQJOEDI-LLVKDONJSA-N 2 0 259.350 -1.205 20 0 CAADRP NC(=O)C[NH2+]C[C@H](O)CNC(=O)C[NH+]1CCCC1 ZINC001320312615 884414716 /nfs/dbraw/zinc/41/47/16/884414716.db2.gz IOQLDMBGAKLQMN-VIFPVBQESA-N 2 0 258.322 -2.366 20 0 CAADRP C[C@H](CC[NH2+]CC(=O)NC(N)=O)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001320373155 884417341 /nfs/dbraw/zinc/41/73/41/884417341.db2.gz UJNWDRXJPZYXNT-NXEZZACHSA-N 2 0 299.375 -1.240 20 0 CAADRP C[C@@H](CC[NH2+]CC(=O)NC(N)=O)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001320373157 884418297 /nfs/dbraw/zinc/41/82/97/884418297.db2.gz UJNWDRXJPZYXNT-VHSXEESVSA-N 2 0 299.375 -1.240 20 0 CAADRP C[C@@H](CC[NH2+]CC(=O)NC(N)=O)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001320373156 884418581 /nfs/dbraw/zinc/41/85/81/884418581.db2.gz UJNWDRXJPZYXNT-UWVGGRQHSA-N 2 0 299.375 -1.240 20 0 CAADRP C[C@H](CC[NH2+]CC(=O)NC(N)=O)NC(=O)CC[NH+](C)C ZINC001320541819 884429338 /nfs/dbraw/zinc/42/93/38/884429338.db2.gz AQAQSSXNYGZDFP-SECBINFHSA-N 2 0 287.364 -1.383 20 0 CAADRP C[C@@H](CC[NH2+]CC(N)=O)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001320641316 884434998 /nfs/dbraw/zinc/43/49/98/884434998.db2.gz WRAOYLOTPFLWQJ-UWVGGRQHSA-N 2 0 256.350 -1.092 20 0 CAADRP 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 884535931 /nfs/dbraw/zinc/53/59/31/884535931.db2.gz MVJNTSCNMZCKFT-ARILJUKYSA-N 3 0 280.416 -1.350 20 0 CAADRP CN1C(=O)CC[C@H]([NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)C1=O ZINC001325877634 884747575 /nfs/dbraw/zinc/74/75/75/884747575.db2.gz GDQXYLLUIUOLRW-NEPJUHHUSA-N 2 0 298.387 -1.668 20 0 CAADRP CN1C(=O)CC[C@@H]([NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)C1=O ZINC001325877646 884748643 /nfs/dbraw/zinc/74/86/43/884748643.db2.gz GDQXYLLUIUOLRW-VXGBXAGGSA-N 2 0 298.387 -1.668 20 0 CAADRP COCCOCC[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC001325871059 884749498 /nfs/dbraw/zinc/74/94/98/884749498.db2.gz MPOCRHBTGXTXHZ-ZDUSSCGKSA-N 2 0 275.393 -1.153 20 0 CAADRP C[N@@H+]1CC[C@H](CNC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC001326026142 884758307 /nfs/dbraw/zinc/75/83/07/884758307.db2.gz CBCFULCKPFLZDE-MNOVXSKESA-N 2 0 268.361 -1.078 20 0 CAADRP O=C(NCCC[NH+]1CCC(O)CC1)[C@@H]1C[NH2+]CCO1 ZINC001326030524 884759201 /nfs/dbraw/zinc/75/92/01/884759201.db2.gz JDKFNIGNCQYRDI-LBPRGKRZSA-N 2 0 271.361 -1.062 20 0 CAADRP C[N@@H+]1CC[C@@H](CNC(=O)CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC001326026144 884760835 /nfs/dbraw/zinc/76/08/35/884760835.db2.gz CBCFULCKPFLZDE-WDEREUQCSA-N 2 0 268.361 -1.078 20 0 CAADRP [NH3+]CC(=O)NCC(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC001326061531 884763745 /nfs/dbraw/zinc/76/37/45/884763745.db2.gz DETBPURZZJAFDI-SNVBAGLBSA-N 2 0 269.349 -2.433 20 0 CAADRP O=C(NCCCN1CC[NH2+]CC1)[C@@H]1C[NH2+]CCO1 ZINC001326077878 884766233 /nfs/dbraw/zinc/76/62/33/884766233.db2.gz QOSXLZDUDSXNKD-NSHDSACASA-N 2 0 256.350 -1.614 20 0 CAADRP [NH3+]C[C@@H]1CN(C(=O)COC2CC[NH2+]CC2)CCO1 ZINC001326093038 884766603 /nfs/dbraw/zinc/76/66/03/884766603.db2.gz OTMCFQKLFNKGSZ-LLVKDONJSA-N 2 0 257.334 -1.059 20 0 CAADRP C[NH2+]C[C@@H]1CCN(C(=O)CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC001326258281 884775921 /nfs/dbraw/zinc/77/59/21/884775921.db2.gz HZWJOENJDUTQGR-QWRGUYRKSA-N 2 0 268.361 -1.078 20 0 CAADRP [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)[C@H]2CC[NH2+]2)C1 ZINC001326282627 884782132 /nfs/dbraw/zinc/78/21/32/884782132.db2.gz UGFRIROOCQPPHI-VHSXEESVSA-N 2 0 254.334 -1.338 20 0 CAADRP [NH3+]C[C@H]1CN(CC(=O)N2CC[NH2+]CC2)CCCO1 ZINC001326310716 884783908 /nfs/dbraw/zinc/78/39/08/884783908.db2.gz ISSWTTCIRNIBQS-NSHDSACASA-N 2 0 256.350 -1.532 20 0 CAADRP [NH3+][C@@H](CC(F)F)C(=O)NCCN1CC[NH2+]CC1 ZINC001326361299 884789392 /nfs/dbraw/zinc/78/93/92/884789392.db2.gz LBDVDRUXXLVSMU-QMMMGPOBSA-N 2 0 250.293 -1.010 20 0 CAADRP CCN(CCO)CC[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC001326518888 884800346 /nfs/dbraw/zinc/80/03/46/884800346.db2.gz NBTUOKCLIRPQAH-CQSZACIVSA-N 2 0 288.436 -1.502 20 0 CAADRP CC[C@@]1(C(=O)NCC(=O)N2CC[NH2+]CC2)CC[NH2+]C1 ZINC001326556728 884808682 /nfs/dbraw/zinc/80/86/82/884808682.db2.gz OELYLNCJLKLMTP-CYBMUJFWSA-N 2 0 268.361 -1.076 20 0 CAADRP [NH3+]CCNC(=O)C[C@@]1(C(=O)NCC[NH3+])CC[NH2+]C1 ZINC001326565700 884808992 /nfs/dbraw/zinc/80/89/92/884808992.db2.gz GPCRBPORWCEULU-NSHDSACASA-N 3 0 257.338 -2.494 20 0 CAADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)[C@@H](N)CC[NH+](C)C)CCO1 ZINC001326576449 884811038 /nfs/dbraw/zinc/81/10/38/884811038.db2.gz DRMMRFAEOZWKLK-DCAQKATOSA-N 2 0 258.366 -1.160 20 0 CAADRP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)NCC1=CC[NH2+]CC1 ZINC001326597951 884811375 /nfs/dbraw/zinc/81/13/75/884811375.db2.gz JISHXAFYZJEUCN-NSHDSACASA-N 2 0 266.345 -1.110 20 0 CAADRP CO[C@H](C[NH3+])CC(=O)NCC(=O)N1CC[NH2+]CC1 ZINC001326820231 884839732 /nfs/dbraw/zinc/83/97/32/884839732.db2.gz JSQRCJLPFDUWHZ-VIFPVBQESA-N 2 0 258.322 -2.102 20 0 CAADRP O=C(C[C@H]1C[NH2+]CCO1)NC[C@H]1C[NH2+]CCCO1 ZINC001326923787 884846649 /nfs/dbraw/zinc/84/66/49/884846649.db2.gz QIRBONOEABUNTD-WDEREUQCSA-N 2 0 257.334 -1.140 20 0 CAADRP O=C1N[C@]2(CCC[NH2+]C2)C(=O)N1C[C@H]1C[NH2+]CCO1 ZINC001327018837 884852721 /nfs/dbraw/zinc/85/27/21/884852721.db2.gz UIMRYGHZFCFJBY-SKDRFNHKSA-N 2 0 268.317 -1.351 20 0 CAADRP O=C1N[C@@]2(CCC[NH2+]C2)C(=O)N1C[C@@H]1C[NH2+]CCO1 ZINC001327018834 884853536 /nfs/dbraw/zinc/85/35/36/884853536.db2.gz UIMRYGHZFCFJBY-JOYOIKCWSA-N 2 0 268.317 -1.351 20 0 CAADRP CC(C)(C)[C@H]([NH2+]CC(=O)N1CC[NH2+]CC1)C(N)=O ZINC001327088359 884861341 /nfs/dbraw/zinc/86/13/41/884861341.db2.gz ZAMXHNOFRXHGMN-SNVBAGLBSA-N 2 0 256.350 -1.092 20 0 CAADRP O=C(C[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1)N1CC[NH2+]CC1 ZINC001327088828 884861740 /nfs/dbraw/zinc/86/17/40/884861740.db2.gz CVYUQLDDUMUTCX-ZDUSSCGKSA-N 3 0 281.404 -1.602 20 0 CAADRP C[NH2+][C@H](C)CCNC(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC001327160215 884868645 /nfs/dbraw/zinc/86/86/45/884868645.db2.gz NGPNYYCDKKEGBR-GRYCIOLGSA-N 2 0 298.387 -1.622 20 0 CAADRP CN(CCN1CC[NH2+]CC1)C(=O)[C@H](N)CC[NH+](C)C ZINC001327450537 884890177 /nfs/dbraw/zinc/89/01/77/884890177.db2.gz UUXBZIRDKNXOFL-GFCCVEGCSA-N 2 0 271.409 -1.371 20 0 CAADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC001327501034 884893457 /nfs/dbraw/zinc/89/34/57/884893457.db2.gz RFNNLPOICJVOAY-WDEREUQCSA-N 2 0 283.376 -2.174 20 0 CAADRP C[NH2+]CCNC(=O)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC001327515757 884896777 /nfs/dbraw/zinc/89/67/77/884896777.db2.gz PYXRGIUITQFIAH-GFCCVEGCSA-N 2 0 298.387 -1.309 20 0 CAADRP [NH3+]CCn1cc(C(=O)NCC2=CC[NH2+]CC2)nn1 ZINC001327511113 884897279 /nfs/dbraw/zinc/89/72/79/884897279.db2.gz BMQYWSSGQFPJPZ-UHFFFAOYSA-N 2 0 250.306 -1.114 20 0 CAADRP C[C@@H](C[NH3+])NC(=O)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC001327517367 884897964 /nfs/dbraw/zinc/89/79/64/884897964.db2.gz YIGVSVDKIPHCKE-CMPLNLGQSA-N 2 0 298.387 -1.181 20 0 CAADRP C[C@@H](C[NH3+])NC(=O)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC001327517369 884898617 /nfs/dbraw/zinc/89/86/17/884898617.db2.gz YIGVSVDKIPHCKE-JQWIXIFHSA-N 2 0 298.387 -1.181 20 0 CAADRP COC(=O)[C@@H]1C[NH2+]CCCN1C[C@H]1C[NH2+]CCO1 ZINC001327595766 884908170 /nfs/dbraw/zinc/90/81/70/884908170.db2.gz DWIULCAIRVVSAG-MNOVXSKESA-N 2 0 257.334 -1.188 20 0 CAADRP COC(=O)C[C@H]([NH3+])C(=O)N1CCOC2(C[NH2+]C2)C1 ZINC001327599172 884907735 /nfs/dbraw/zinc/90/77/35/884907735.db2.gz RFYBUSDBKFAFGF-QMMMGPOBSA-N 2 0 257.290 -1.922 20 0 CAADRP [NH3+]C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC001327613240 884907807 /nfs/dbraw/zinc/90/78/07/884907807.db2.gz MBGJMKGJZMQBBK-AXFHLTTASA-N 2 0 257.334 -1.155 20 0 CAADRP C([C@@H]1CNCCO1)[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC001327597714 884907852 /nfs/dbraw/zinc/90/78/52/884907852.db2.gz SPCWAUFUVUUCRF-STQMWFEESA-N 2 0 254.378 -1.046 20 0 CAADRP [NH3+]C[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC001327613243 884908041 /nfs/dbraw/zinc/90/80/41/884908041.db2.gz MBGJMKGJZMQBBK-VWYCJHECSA-N 2 0 257.334 -1.155 20 0 CAADRP [NH3+]C[C@H]1OCC[C@@H]1C(=O)NCCCN1CC[NH2+]CC1 ZINC001327597181 884908261 /nfs/dbraw/zinc/90/82/61/884908261.db2.gz NKXUXIXNTKIWIA-NWDGAFQWSA-N 2 0 270.377 -1.238 20 0 CAADRP [NH3+]C[C@@H]1OCC[C@H]1C(=O)N1CCOC2(C[NH2+]C2)C1 ZINC001327599865 884910754 /nfs/dbraw/zinc/91/07/54/884910754.db2.gz WCSHHRPOAVDUNS-ZJUUUORDSA-N 2 0 255.318 -1.449 20 0 CAADRP O=C(C[C@H]1C[NH2+]CCO1)N1CCOC2(C[NH2+]C2)C1 ZINC001327628121 884912728 /nfs/dbraw/zinc/91/27/28/884912728.db2.gz ANTVGFBRZOCDDF-JTQLQIEISA-N 2 0 255.318 -1.434 20 0 CAADRP O[C@@H]1C[NH+](C/C=C\C[N@@H+]2C[C@@H](O)[C@@H](O)C2)C[C@@H]1O ZINC001327617966 884913975 /nfs/dbraw/zinc/91/39/75/884913975.db2.gz YFIXVUYEFJFCRU-MQOWWWJOSA-N 2 0 258.318 -2.383 20 0 CAADRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)N(CC[NH3+])CCO)C1 ZINC001327681571 884917920 /nfs/dbraw/zinc/91/79/20/884917920.db2.gz FCVUANOEHISMSO-PHIMTYICSA-N 2 0 286.376 -1.778 20 0 CAADRP [NH3+]CCn1cc(C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)nn1 ZINC001327918907 884939532 /nfs/dbraw/zinc/93/95/32/884939532.db2.gz RASQDBGSLGGIMP-SCZZXKLOSA-N 2 0 250.306 -1.329 20 0 CAADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)C1=NO[C@@H](C[NH3+])C1 ZINC001327929144 884943503 /nfs/dbraw/zinc/94/35/03/884943503.db2.gz OAJOFZMTEKMFFB-VHSXEESVSA-N 2 0 269.349 -1.548 20 0 CAADRP COCC[NH2+]CCNC(=O)c1cn(CC[NH3+])nn1 ZINC001327929884 884944741 /nfs/dbraw/zinc/94/47/41/884944741.db2.gz XDHIADXLKXSPAV-UHFFFAOYSA-N 2 0 256.310 -1.797 20 0 CAADRP C[C@@H](C[NH3+])NC(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC001328350148 884972456 /nfs/dbraw/zinc/97/24/56/884972456.db2.gz LRQAVOICAHJDDM-LURJTMIESA-N 2 0 254.294 -1.213 20 0 CAADRP OC[C@@H]1C[C@@H](O)C[NH+]1C/C=C\C[N@H+]1C[C@H](O)C[C@H]1CO ZINC001328380410 884978263 /nfs/dbraw/zinc/97/82/63/884978263.db2.gz DCPZRKBGCBJMEF-YHZXAACMSA-N 2 0 286.372 -1.602 20 0 CAADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]CCOCCCO)CC1 ZINC001328413194 884983752 /nfs/dbraw/zinc/98/37/52/884983752.db2.gz WTDIFURAZGOFTN-ZDUSSCGKSA-N 2 0 275.393 -1.417 20 0 CAADRP CCOC(=O)[C@@H]1C[NH2+]CCN1C[C@@H]1C[NH2+]CCO1 ZINC001328437779 884988891 /nfs/dbraw/zinc/98/88/91/884988891.db2.gz SDVXSMZSTMWPMS-QWRGUYRKSA-N 2 0 257.334 -1.188 20 0 CAADRP [NH3+]CC(=O)NCC(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC001328524881 884994610 /nfs/dbraw/zinc/99/46/10/884994610.db2.gz MMXTVZHHVMMTQB-LBPRGKRZSA-N 2 0 254.334 -1.337 20 0 CAADRP CN1CCN(C(=O)[C@@H](N)CC[NH+](C)C)[C@@H](C[NH3+])C1 ZINC001328841398 885026610 /nfs/dbraw/zinc/02/66/10/885026610.db2.gz PZXBKXKUNDQRES-QWRGUYRKSA-N 2 0 257.382 -1.633 20 0 CAADRP CN1CCN(C(=O)[C@@H](N)CC[NH+](C)C)[C@H](C[NH3+])C1 ZINC001328841397 885026873 /nfs/dbraw/zinc/02/68/73/885026873.db2.gz PZXBKXKUNDQRES-MNOVXSKESA-N 2 0 257.382 -1.633 20 0 CAADRP CN1CCN(C(=O)[C@H](N)CC[NH+](C)C)[C@@H](C[NH3+])C1 ZINC001328841399 885027576 /nfs/dbraw/zinc/02/75/76/885027576.db2.gz PZXBKXKUNDQRES-WDEREUQCSA-N 2 0 257.382 -1.633 20 0 CAADRP C[NH+](C)CCC(=O)NC1CC(C[NH2+]CC(N)=O)C1 ZINC001328910168 885034166 /nfs/dbraw/zinc/03/41/66/885034166.db2.gz AMVHWJLKQPGNRZ-UHFFFAOYSA-N 2 0 256.350 -1.092 20 0 CAADRP CN(CCOCC[NH3+])C(=O)NC[C@@H]1COCC[NH2+]1 ZINC001328966681 885041356 /nfs/dbraw/zinc/04/13/56/885041356.db2.gz YKPMROSBTQYLJX-SNVBAGLBSA-N 2 0 260.338 -1.409 20 0 CAADRP CC(C)C(=O)NCC[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC001329133188 885069797 /nfs/dbraw/zinc/06/97/97/885069797.db2.gz AOKKSCNFVNKBON-ZDUSSCGKSA-N 2 0 286.420 -1.044 20 0 CAADRP CC[NH+]1CCN(CCCNC(=O)CNC(=O)C[NH3+])CC1 ZINC001329255393 885080511 /nfs/dbraw/zinc/08/05/11/885080511.db2.gz ZIFLCFJHFVAVCJ-UHFFFAOYSA-N 2 0 285.392 -1.795 20 0 CAADRP O=C(C[C@@H]1COCC[NH2+]1)NC[C@H]1C[NH2+]CCCO1 ZINC001329373274 885096167 /nfs/dbraw/zinc/09/61/67/885096167.db2.gz WOVHPJAKXOJWIL-GHMZBOCLSA-N 2 0 257.334 -1.140 20 0 CAADRP O=C(C[C@@H]1COCC[NH2+]1)NC[C@@H]1C[NH2+]CCCO1 ZINC001329373275 885096859 /nfs/dbraw/zinc/09/68/59/885096859.db2.gz WOVHPJAKXOJWIL-MNOVXSKESA-N 2 0 257.334 -1.140 20 0 CAADRP C[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CC[NH2+]C2)CC1 ZINC001329432866 885099429 /nfs/dbraw/zinc/09/94/29/885099429.db2.gz HKPNYQXMMAKKAW-SNVBAGLBSA-N 2 0 254.334 -1.325 20 0 CAADRP C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC001329466336 885106180 /nfs/dbraw/zinc/10/61/80/885106180.db2.gz AMCMZNOAEGKOFD-TUAOUCFPSA-N 2 0 299.419 -1.410 20 0 CAADRP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC001329466334 885107947 /nfs/dbraw/zinc/10/79/47/885107947.db2.gz AMCMZNOAEGKOFD-SRVKXCTJSA-N 2 0 299.419 -1.410 20 0 CAADRP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](CCN2CC[NH2+]CC2)C1 ZINC001329490462 885109683 /nfs/dbraw/zinc/10/96/83/885109683.db2.gz LMPDNWKNBOELKU-ZDUSSCGKSA-N 3 0 283.420 -1.322 20 0 CAADRP COC1(C(=O)N2CCO[C@@H](C[NH3+])C2)CC[NH2+]CC1 ZINC001329604520 885120482 /nfs/dbraw/zinc/12/04/82/885120482.db2.gz XTCGURPKORDHPW-JTQLQIEISA-N 2 0 257.334 -1.059 20 0 CAADRP COC1(C(=O)N2CCO[C@H](C[NH3+])C2)CC[NH2+]CC1 ZINC001329604521 885120641 /nfs/dbraw/zinc/12/06/41/885120641.db2.gz XTCGURPKORDHPW-SNVBAGLBSA-N 2 0 257.334 -1.059 20 0 CAADRP C[C@@H]([NH3+])C(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC001329594297 885120665 /nfs/dbraw/zinc/12/06/65/885120665.db2.gz WFTMDVGHUHLYCJ-RGOKHQFPSA-N 2 0 268.317 -1.273 20 0 CAADRP C[C@H]([NH3+])C(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC001329652499 885126665 /nfs/dbraw/zinc/12/66/65/885126665.db2.gz WFTMDVGHUHLYCJ-QEYWKRMJSA-N 2 0 268.317 -1.273 20 0 CAADRP Cn1cnc(CCNC(=O)C(=O)N[C@H]2CC[NH2+]C2)c1 ZINC001329822217 885143533 /nfs/dbraw/zinc/14/35/33/885143533.db2.gz MRPVFKJTTIKNCS-VIFPVBQESA-N 2 0 265.317 -1.443 20 0 CAADRP [NH3+]CCn1cc(C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)nn1 ZINC001329923584 885156082 /nfs/dbraw/zinc/15/60/82/885156082.db2.gz HTXPIXWIOWTULX-HTQZYQBOSA-N 2 0 256.285 -1.252 20 0 CAADRP [NH3+]C[C@H]1CCN(C(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)C1 ZINC001329974605 885161609 /nfs/dbraw/zinc/16/16/09/885161609.db2.gz VUBDOVWBPLLHKN-GRYCIOLGSA-N 2 0 296.371 -1.929 20 0 CAADRP [NH3+]C[C@@H]1CCN(S(=O)(=O)C[C@@H]2C[NH2+]CCO2)C1 ZINC001330365624 885189922 /nfs/dbraw/zinc/18/99/22/885189922.db2.gz MZPMFIBSOHKLSV-UWVGGRQHSA-N 2 0 263.363 -1.415 20 0 CAADRP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)N2CC[NH2+]CC2)n1 ZINC001330520632 885200982 /nfs/dbraw/zinc/20/09/82/885200982.db2.gz QUNWOZSJTBPWRQ-UHFFFAOYSA-N 2 0 266.305 -1.244 20 0 CAADRP [NH3+][C@@H]1CCO[C@@H]1C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC001330603867 885210765 /nfs/dbraw/zinc/21/07/65/885210765.db2.gz XFNWPAOEFNRUJV-UTUOFQBUSA-N 2 0 268.361 -1.391 20 0 CAADRP C[N@@H+]1CC[C@@H]2CN(C(=O)CNC(=O)C[NH3+])CC[C@H]21 ZINC001330649291 885213215 /nfs/dbraw/zinc/21/32/15/885213215.db2.gz XQHMSUIUCDCEQF-NXEZZACHSA-N 2 0 254.334 -1.386 20 0 CAADRP [NH3+]CC(=O)NCC(=O)N1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC001330619624 885214146 /nfs/dbraw/zinc/21/41/46/885214146.db2.gz QFIPGQZOAOOIIA-NXEZZACHSA-N 2 0 254.334 -1.338 20 0 CAADRP CN(CCOCC[NH3+])C(=O)C1([S@@](C)=O)CC[NH2+]CC1 ZINC001330625262 885215224 /nfs/dbraw/zinc/21/52/24/885215224.db2.gz MSAZQOWBAGIICM-LJQANCHMSA-N 2 0 291.417 -1.079 20 0 CAADRP O=C(CCC1C[NH2+]C1)NCC(=O)N1CC[NH2+]CC1 ZINC001331026612 885244300 /nfs/dbraw/zinc/24/43/00/885244300.db2.gz RKLFBJAKIYESMN-UHFFFAOYSA-N 2 0 254.334 -1.466 20 0 CAADRP C[S@@](=O)C1(C(=O)N2CC[NH2+]CC2)CC[NH2+]CC1 ZINC001331027302 885246538 /nfs/dbraw/zinc/24/65/38/885246538.db2.gz WEHFCLVAKWPIFZ-QGZVFWFLSA-N 2 0 259.375 -1.081 20 0 CAADRP [NH3+]C[C@@H]1CN(C(=O)NC[C@H]2COCC[NH2+]2)CCO1 ZINC001331569178 885288344 /nfs/dbraw/zinc/28/83/44/885288344.db2.gz MTSMLHHMKUBICA-VHSXEESVSA-N 2 0 258.322 -1.656 20 0 CAADRP [NH3+][C@@H]1CCO[C@@H]1C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC001331673962 885306349 /nfs/dbraw/zinc/30/63/49/885306349.db2.gz JYONECQPILVMLK-SCZZXKLOSA-N 2 0 256.306 -2.349 20 0 CAADRP CN(CC[NH3+])S(=O)(=O)N(C)C1CC[NH2+]CC1 ZINC001331915033 885364171 /nfs/dbraw/zinc/36/41/71/885364171.db2.gz LWJZJGKTSRDYHG-UHFFFAOYSA-N 2 0 250.368 -1.195 20 0 CAADRP [NH3+]C[C@@H]1CN(C(=O)CN2CC[NH2+]CC2)CCCO1 ZINC001331708075 885319378 /nfs/dbraw/zinc/31/93/78/885319378.db2.gz QYLLQQGUANEMQU-LLVKDONJSA-N 2 0 256.350 -1.532 20 0 CAADRP [NH3+]CC1(NC(=O)C[C@@H]2C[NH2+]CCO2)CCOCC1 ZINC001331724963 885321787 /nfs/dbraw/zinc/32/17/87/885321787.db2.gz JSHYDUVYBWHCTG-SNVBAGLBSA-N 2 0 257.334 -1.011 20 0 CAADRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)NC[C@H]2COCC[NH2+]2)C1 ZINC001331743872 885331955 /nfs/dbraw/zinc/33/19/55/885331955.db2.gz FHAGGEDMZBJJRY-SDDRHHMPSA-N 2 0 298.387 -1.453 20 0 CAADRP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H](CO)[NH2+]CCCO ZINC001331772599 885339626 /nfs/dbraw/zinc/33/96/26/885339626.db2.gz PLLFWVCEBXWEEV-RYUDHWBXSA-N 2 0 273.377 -1.080 20 0 CAADRP C[NH+]1CCC(NC(=O)C[N@@H+]2C[C@@H]3C(=O)NC(=O)[C@@H]3C2)CC1 ZINC001331769526 885340066 /nfs/dbraw/zinc/34/00/66/885340066.db2.gz GCKRSKMPKSJWLU-PHIMTYICSA-N 2 0 294.355 -1.599 20 0 CAADRP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@H](CO)[NH2+]CCCO ZINC001331772598 885341376 /nfs/dbraw/zinc/34/13/76/885341376.db2.gz PLLFWVCEBXWEEV-NEPJUHHUSA-N 2 0 273.377 -1.080 20 0 CAADRP c1c(CN2CC[NH2+]CC2)nnn1C[C@H]1C[NH2+]CCO1 ZINC001331857654 885361950 /nfs/dbraw/zinc/36/19/50/885361950.db2.gz MMUDSUSKHJEWGZ-GFCCVEGCSA-N 2 0 266.349 -1.328 20 0 CAADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NCC[C@H](C)[NH3+])C1 ZINC001331950551 885370492 /nfs/dbraw/zinc/37/04/92/885370492.db2.gz USMHDYVUVSZWQB-WDEREUQCSA-N 2 0 286.376 -1.323 20 0 CAADRP C[NH+]1CCN(CCCS(=O)(=O)NCC[NH3+])CC1 ZINC001331984348 885374578 /nfs/dbraw/zinc/37/45/78/885374578.db2.gz PPZPGSRPABOHAK-UHFFFAOYSA-N 2 0 264.395 -1.498 20 0 CAADRP CNC(=O)NC(=O)CCN1CC[NH2+]CC[NH2+]CC1 ZINC001332366392 885403348 /nfs/dbraw/zinc/40/33/48/885403348.db2.gz ZYBZDWCCBCNQMR-UHFFFAOYSA-N 2 0 257.338 -1.673 20 0 CAADRP [NH3+]Cc1cc(C(=O)NCC(=O)N2CC[NH2+]CC2)co1 ZINC001332156511 885384167 /nfs/dbraw/zinc/38/41/67/885384167.db2.gz ITDWIHHKPWJSQT-UHFFFAOYSA-N 2 0 266.301 -1.100 20 0 CAADRP COC(=O)C[C@H]([NH3+])C(=O)NCCC[NH+]1CCC(O)CC1 ZINC001332152493 885384631 /nfs/dbraw/zinc/38/46/31/885384631.db2.gz SMKGACQTHYOXQO-NSHDSACASA-N 2 0 287.360 -1.160 20 0 CAADRP [NH3+]CCC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC001332189660 885385633 /nfs/dbraw/zinc/38/56/33/885385633.db2.gz PORNRTXOWDPZQZ-AEJSXWLSSA-N 2 0 268.317 -1.271 20 0 CAADRP [NH3+]CCCn1cc(C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)nn1 ZINC001332210050 885390974 /nfs/dbraw/zinc/39/09/74/885390974.db2.gz CUSKJHKDHNHBMY-AOOOYVTPSA-N 2 0 264.333 -1.082 20 0 CAADRP O=C(COC1CC[NH2+]CC1)NC[C@@H]1C[NH2+]CCO1 ZINC001332279311 885396837 /nfs/dbraw/zinc/39/68/37/885396837.db2.gz MLACAWMDCLDFDF-NSHDSACASA-N 2 0 257.334 -1.140 20 0 CAADRP C[N@H+](C[C@H](O)C[NH3+])C[C@@H](O)COC[C@@H]1CCCO1 ZINC001332334988 885399589 /nfs/dbraw/zinc/39/95/89/885399589.db2.gz QIDGBMIDSYUAAX-UTUOFQBUSA-N 2 0 262.350 -1.206 20 0 CAADRP C[NH+](C)C[C@@H]1CN(C(=O)C(N)=O)C[C@H]1C[NH+](C)C ZINC001332376592 885405225 /nfs/dbraw/zinc/40/52/25/885405225.db2.gz ZPQVGYZGEBBLHG-NXEZZACHSA-N 2 0 256.350 -1.331 20 0 CAADRP C[NH2+]CCNC(=O)C[C@@]1(C(=O)NCC[NH2+]C)CC[NH2+]C1 ZINC001332414258 885407715 /nfs/dbraw/zinc/40/77/15/885407715.db2.gz UVELORHZVQKPBZ-ZDUSSCGKSA-N 3 0 285.392 -1.973 20 0 CAADRP CC[C@@H](C(=O)N(C)C[C@H](O)C[NH2+]CCO)[NH+](C)C ZINC001332575991 885423731 /nfs/dbraw/zinc/42/37/31/885423731.db2.gz WAQSXZWYPMKOQE-MNOVXSKESA-N 2 0 261.366 -1.272 20 0 CAADRP C[NH2+]C[C@](C)(O)C[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC001332629045 885429992 /nfs/dbraw/zinc/42/99/92/885429992.db2.gz YSHJFOFYSNJWLX-STQMWFEESA-N 3 0 256.394 -1.064 20 0 CAADRP C[NH+](C)CC[C@H](N)C(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC001332724252 885437410 /nfs/dbraw/zinc/43/74/10/885437410.db2.gz NAQTYMQBEONPTC-OLZOCXBDSA-N 2 0 283.420 -1.229 20 0 CAADRP [NH3+]CCOCC[NH+]1CCC2(CC1)C[C@H](O)CNC2=O ZINC001332814657 885438468 /nfs/dbraw/zinc/43/84/68/885438468.db2.gz AYMSDRAJUQXJGM-NSHDSACASA-N 2 0 271.361 -1.075 20 0 CAADRP C[C@@H]([NH3+])CNC(=O)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC001332944063 885450042 /nfs/dbraw/zinc/45/00/42/885450042.db2.gz BTYLVDBTWJYNOG-BBBLOLIVSA-N 2 0 256.350 -1.094 20 0 CAADRP CN(CC[NH3+])C(=O)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC001332946729 885450424 /nfs/dbraw/zinc/45/04/24/885450424.db2.gz ZOEFBTYDBKXTQW-AOOOYVTPSA-N 2 0 256.350 -1.140 20 0 CAADRP C[C@]12C[NH2+]C[C@H]1CN(C(=O)c1cn(CC[NH3+])nn1)C2 ZINC001332997831 885454003 /nfs/dbraw/zinc/45/40/03/885454003.db2.gz AYHLDQHALPPHJP-JOYOIKCWSA-N 2 0 264.333 -1.082 20 0 CAADRP [NH3+]CC1(NC(=O)C[C@@H]2COCC[NH2+]2)CCOCC1 ZINC001332981316 885454312 /nfs/dbraw/zinc/45/43/12/885454312.db2.gz NLFLKYQJGWSFEL-SNVBAGLBSA-N 2 0 257.334 -1.011 20 0 CAADRP CN(CCOCC[NH2+]CC(N)=O)C(=O)[C@H]1CCC[N@@H+]1C ZINC001333243937 885464351 /nfs/dbraw/zinc/46/43/51/885464351.db2.gz CUXHQSPRYANOOR-LLVKDONJSA-N 2 0 286.376 -1.370 20 0 CAADRP [NH3+][C@@H]1CC=C(C(=O)NCC(=O)N2CC[NH2+]CC2)C1 ZINC001333307695 885471963 /nfs/dbraw/zinc/47/19/63/885471963.db2.gz RDTIWHSNYFOGIV-SNVBAGLBSA-N 2 0 252.318 -1.418 20 0 CAADRP COCC[NH2+]CCNC(=O)C1([S@](C)=O)CC[NH2+]CC1 ZINC001333335505 885472382 /nfs/dbraw/zinc/47/23/82/885472382.db2.gz FOQZQWYNPKPQTE-IBGZPJMESA-N 2 0 291.417 -1.161 20 0 CAADRP COCC[NH2+]CCNC(=O)C1([S@@](C)=O)CC[NH2+]CC1 ZINC001333335507 885472418 /nfs/dbraw/zinc/47/24/18/885472418.db2.gz FOQZQWYNPKPQTE-LJQANCHMSA-N 2 0 291.417 -1.161 20 0 CAADRP C[NH2+]CCNC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC001333602395 885493320 /nfs/dbraw/zinc/49/33/20/885493320.db2.gz LKXLIKRCAVOJAZ-AXFHLTTASA-N 2 0 297.359 -1.218 20 0 CAADRP [NH3+]C[C@H]1OCC[C@@H]1C(=O)NCCN1CC[NH2+]CC1 ZINC001333623270 885496147 /nfs/dbraw/zinc/49/61/47/885496147.db2.gz YBGYROYECQSYPU-WDEREUQCSA-N 2 0 256.350 -1.628 20 0 CAADRP COCC[C@@H]([NH3+])C(=O)NCCCN1CC[NH2+]CC1 ZINC001333631380 885496443 /nfs/dbraw/zinc/49/64/43/885496443.db2.gz RUVRZIICGGVDOD-LLVKDONJSA-N 2 0 258.366 -1.238 20 0 CAADRP [NH3+]C[C@@H]1CC(C(=O)N2CCC(O)(C[NH3+])CC2)=NO1 ZINC001333635469 885499618 /nfs/dbraw/zinc/49/96/18/885499618.db2.gz IHRBQEJFVMRWTL-QMMMGPOBSA-N 2 0 256.306 -1.598 20 0 CAADRP O=C(C[C@H]1COCC[NH2+]1)N1CCOC2(C[NH2+]C2)C1 ZINC001333654116 885500588 /nfs/dbraw/zinc/50/05/88/885500588.db2.gz GJJPFSGDIGAXCA-JTQLQIEISA-N 2 0 255.318 -1.434 20 0 CAADRP C[N@H+](CCNC(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)C1CC1 ZINC001333941547 885513417 /nfs/dbraw/zinc/51/34/17/885513417.db2.gz VTKQPHFZWWKADT-ONGXEEELSA-N 2 0 266.345 -1.231 20 0 CAADRP C[NH2+]C[C@H]1CCN(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC001334337951 885535797 /nfs/dbraw/zinc/53/57/97/885535797.db2.gz OALDYLZMTRIXJP-SNVBAGLBSA-N 2 0 262.379 -1.322 20 0 CAADRP OCCN1CC[NH+](C[C@@H]2CC3(C[NH2+]C3)CO2)CC1 ZINC001335191128 885589484 /nfs/dbraw/zinc/58/94/84/885589484.db2.gz ZKVZMWYKGYNLFF-LBPRGKRZSA-N 2 0 255.362 -1.025 20 0 CAADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC001335228890 885596904 /nfs/dbraw/zinc/59/69/04/885596904.db2.gz DQEUPHWNQOGCRR-SDDRHHMPSA-N 2 0 297.403 -1.785 20 0 CAADRP CCN(CC[NH3+])C(=O)C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC001335230793 885597188 /nfs/dbraw/zinc/59/71/88/885597188.db2.gz QNUXMXLHLZTSDX-LLVKDONJSA-N 2 0 285.392 -1.844 20 0 CAADRP C[C@H]([NH2+]CC[C@@H]1CNCCS1(=O)=O)C1C[NH2+]C1 ZINC001335266548 885601723 /nfs/dbraw/zinc/60/17/23/885601723.db2.gz GDRRJKPAVMNDEZ-GXSJLCMTSA-N 2 0 261.391 -1.039 20 0 CAADRP C[C@H]([NH2+]CC[C@H]1CNCCS1(=O)=O)C1C[NH2+]C1 ZINC001335266551 885602254 /nfs/dbraw/zinc/60/22/54/885602254.db2.gz GDRRJKPAVMNDEZ-ONGXEEELSA-N 2 0 261.391 -1.039 20 0 CAADRP Cn1cc(CN2CC[NH2+]CC[NH2+]CC2)c(=O)n(C)c1=O ZINC001335289291 885605984 /nfs/dbraw/zinc/60/59/84/885605984.db2.gz MARKZZBNMVHVLQ-UHFFFAOYSA-N 2 0 281.360 -1.921 20 0 CAADRP C[C@@]1(C(=O)NCCCN2CC[NH2+]CC2)C[C@H](O)C[NH2+]1 ZINC001335307470 885608623 /nfs/dbraw/zinc/60/86/23/885608623.db2.gz DPCDFPZMWCZHPX-AAEUAGOBSA-N 2 0 270.377 -1.489 20 0 CAADRP C[C@@]1(C(=O)NCCN2CC[NH2+]CC2)C[C@@H](O)C[NH2+]1 ZINC001335306954 885608709 /nfs/dbraw/zinc/60/87/09/885608709.db2.gz ADFDFMMHWRLEQA-PWSUYJOCSA-N 2 0 256.350 -1.879 20 0 CAADRP C[C@]1(C(=O)NCCN2CC[NH2+]CC2)C[C@H](O)C[NH2+]1 ZINC001335306948 885609051 /nfs/dbraw/zinc/60/90/51/885609051.db2.gz ADFDFMMHWRLEQA-CMPLNLGQSA-N 2 0 256.350 -1.879 20 0 CAADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]CCn2cnnn2)CC1 ZINC001335444337 885620374 /nfs/dbraw/zinc/62/03/74/885620374.db2.gz MCDJYBDUXOULGD-NSHDSACASA-N 2 0 269.353 -2.129 20 0 CAADRP C[NH+]1CCN(C[C@H](O)C[NH2+]CCn2cnnn2)CC1 ZINC001335444336 885620450 /nfs/dbraw/zinc/62/04/50/885620450.db2.gz MCDJYBDUXOULGD-LLVKDONJSA-N 2 0 269.353 -2.129 20 0 CAADRP [NH3+]C1(CNC(=O)NCC(=O)N2CC[NH2+]CC2)CC1 ZINC001335535921 885623540 /nfs/dbraw/zinc/62/35/40/885623540.db2.gz BYUSIEBHHJREHP-UHFFFAOYSA-N 2 0 255.322 -1.791 20 0 CAADRP COCC[NH2+]CCNC(=O)NCCN1CCC([NH3+])CC1 ZINC001335550754 885624898 /nfs/dbraw/zinc/62/48/98/885624898.db2.gz CUNRQJXGUFZWGV-UHFFFAOYSA-N 2 0 287.408 -1.055 20 0 CAADRP O=C(NCCCN1CC[NH2+]CC1)N1CCNCC[NH2+]CC1 ZINC001335585551 885625249 /nfs/dbraw/zinc/62/52/49/885625249.db2.gz ZUMZCNOSWZDRSA-UHFFFAOYSA-N 2 0 298.435 -1.514 20 0 CAADRP O=C(CNC(=O)N1CCNCC[NH2+]CC1)N1CC[NH2+]CC1 ZINC001335538560 885625496 /nfs/dbraw/zinc/62/54/96/885625496.db2.gz VZSSPGJPPZWZBQ-UHFFFAOYSA-N 2 0 298.391 -2.377 20 0 CAADRP C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC001335752312 885633026 /nfs/dbraw/zinc/63/30/26/885633026.db2.gz WVGVIVREZVVRKT-IJLUTSLNSA-N 2 0 297.403 -1.928 20 0 CAADRP C[NH2+]CC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC001335786449 885633890 /nfs/dbraw/zinc/63/38/90/885633890.db2.gz AOMNSCZIOMRLRQ-BBBLOLIVSA-N 2 0 268.317 -1.401 20 0 CAADRP COC(=O)[C@@H]1C[NH+](CCOCC[NH3+])C[C@H]1C(=O)OC ZINC001336095827 885645867 /nfs/dbraw/zinc/64/58/67/885645867.db2.gz OJOZWCUUGPJNLZ-NXEZZACHSA-N 2 0 274.317 -1.144 20 0 CAADRP COC[C@H]1C[NH2+]CCN1C(=O)NCCOCCC[NH3+] ZINC001336149495 885650038 /nfs/dbraw/zinc/65/00/38/885650038.db2.gz CLRFWTWGIYBQFT-LLVKDONJSA-N 2 0 274.365 -1.018 20 0 CAADRP CC[N@H+](CCC(=O)NC)CC(=O)N1CC[NH2+]CC1 ZINC001336279139 885656539 /nfs/dbraw/zinc/65/65/39/885656539.db2.gz ZOZANGYSQWAJLF-UHFFFAOYSA-N 2 0 256.350 -1.124 20 0 CAADRP O=S1(=O)CCCN1CCN1CC[NH2+]CC[NH2+]CC1 ZINC001336278010 885656422 /nfs/dbraw/zinc/65/64/22/885656422.db2.gz VBDKODOBYHQWSJ-UHFFFAOYSA-N 2 0 276.406 -1.483 20 0 CAADRP C[C@@H](NC(=O)C(=O)N[C@H]1C[C@H](C[NH3+])C1)[C@H]1CN(C)CCO1 ZINC001336631429 885671896 /nfs/dbraw/zinc/67/18/96/885671896.db2.gz PRQYGGIUVJSSIG-DDHJBXDOSA-N 2 0 298.387 -1.325 20 0 CAADRP C[C@H](NC(=O)C(=O)N[C@H]1C[C@H](C[NH3+])C1)[C@H]1CN(C)CCO1 ZINC001336631431 885672677 /nfs/dbraw/zinc/67/26/77/885672677.db2.gz PRQYGGIUVJSSIG-FIQHERPVSA-N 2 0 298.387 -1.325 20 0 CAADRP O=C(CNC(=O)C1=CCC[NH2+]CC1)N1CC[NH2+]CC1 ZINC001336647053 885675239 /nfs/dbraw/zinc/67/52/39/885675239.db2.gz PRYVDHIPQYUXBZ-UHFFFAOYSA-N 2 0 266.345 -1.156 20 0 CAADRP CCOC(=O)[C@@H]1CNCCN1C(=O)[C@@H]1C[C@@H]1C[NH3+] ZINC001336657510 885675605 /nfs/dbraw/zinc/67/56/05/885675605.db2.gz AXIXKTQNBNLPDQ-BBBLOLIVSA-N 2 0 255.318 -1.055 20 0 CAADRP COCCOC[C@H](O)C[NH2+]CCN1CC[NH+](C)CC1 ZINC001336756222 885681475 /nfs/dbraw/zinc/68/14/75/885681475.db2.gz LKIJMHUVELODPI-CYBMUJFWSA-N 2 0 275.393 -1.153 20 0 CAADRP CN1CC[C@H]([NH+]2CCC(NC(=O)COCC[NH3+])CC2)C1=O ZINC001336743125 885682318 /nfs/dbraw/zinc/68/23/18/885682318.db2.gz VIDYVFWMTGZZLR-LBPRGKRZSA-N 2 0 298.387 -1.227 20 0 CAADRP CCNC(=O)NCC[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC001336766283 885682417 /nfs/dbraw/zinc/68/24/17/885682417.db2.gz UPRPCJQVIOSAPB-LBPRGKRZSA-N 2 0 287.408 -1.497 20 0 CAADRP COC[C@H]1C[NH2+]CCN1C(=O)NCCCN1CC[NH2+]CC1 ZINC001336882765 885684376 /nfs/dbraw/zinc/68/43/76/885684376.db2.gz DDXSOMIGYBXGQC-CYBMUJFWSA-N 2 0 299.419 -1.089 20 0 CAADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]CC[C@]2(O)CCOC2)CC1 ZINC001336799160 885684866 /nfs/dbraw/zinc/68/48/66/885684866.db2.gz KYPMYXDVGTXBJF-KBPBESRZSA-N 2 0 287.404 -1.274 20 0 CAADRP CN1CCN(C(=O)NCCN2CCC([NH3+])CC2)[C@H](C[NH3+])C1 ZINC001336941224 885688467 /nfs/dbraw/zinc/68/84/67/885688467.db2.gz IUKGIZYKHFVIDO-CYBMUJFWSA-N 2 0 298.435 -1.306 20 0 CAADRP O=C(N[C@@H]1CCC[NH2+]C1)N1CCNCC[NH2+]CC1 ZINC001336907638 885688948 /nfs/dbraw/zinc/68/89/48/885688948.db2.gz VNLDFNGJDSMLCV-LLVKDONJSA-N 2 0 255.366 -1.057 20 0 CAADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)NC[C@H]2C[C@H]([NH3+])C2)C1 ZINC001337456360 885703539 /nfs/dbraw/zinc/70/35/39/885703539.db2.gz UWEBHHZZZMATNJ-SRVKXCTJSA-N 2 0 298.387 -1.323 20 0 CAADRP [NH3+][C@H]1C[C@@H](C[N@@H+]2CCN3[C@H](CNS3(=O)=O)C2)C1 ZINC001337838363 885724581 /nfs/dbraw/zinc/72/45/81/885724581.db2.gz OGAGWBDYPWVZPB-KXUCPTDWSA-N 2 0 260.363 -1.442 20 0 CAADRP [NH3+]CC1(C(=O)NCCCN2CC[NH2+]CC2)CC(O)C1 ZINC001338369951 885743668 /nfs/dbraw/zinc/74/36/68/885743668.db2.gz VUVOUCKZXCHFGD-UHFFFAOYSA-N 2 0 270.377 -1.502 20 0 CAADRP O=S1(=O)CCNC[C@@H]1CC[NH2+]C[C@]12C[C@H]1C[NH2+]C2 ZINC001339222416 885766133 /nfs/dbraw/zinc/76/61/33/885766133.db2.gz ATGKNKLLWZKYPM-SRVKXCTJSA-N 2 0 273.402 -1.038 20 0 CAADRP [NH3+]C[C@@H]1CN(C(=O)[C@@H]2[NH2+]CC23CCOCC3)CCO1 ZINC001339906401 885784304 /nfs/dbraw/zinc/78/43/04/885784304.db2.gz AUUBWWFJWZMHNO-MNOVXSKESA-N 2 0 269.345 -1.059 20 0 CAADRP [NH3+]C[C@@H]1CN(C(=O)[C@H]2[NH2+]CC23CCOCC3)CCO1 ZINC001339906400 885785394 /nfs/dbraw/zinc/78/53/94/885785394.db2.gz AUUBWWFJWZMHNO-GHMZBOCLSA-N 2 0 269.345 -1.059 20 0 CAADRP [NH3+]CCN1CCC[C@@H](C(=O)NC[C@@H]2C[NH2+]CCCO2)C1=O ZINC001340312648 885797554 /nfs/dbraw/zinc/79/75/54/885797554.db2.gz NZOSQHOAZFHWQB-RYUDHWBXSA-N 2 0 298.387 -1.322 20 0 CAADRP C[N@@H+]1CCC[C@@H](N2CCN(C(=O)CNCC[NH3+])CC2)C1 ZINC001340249675 885797917 /nfs/dbraw/zinc/79/79/17/885797917.db2.gz QTYYYLFQQZLGEQ-CYBMUJFWSA-N 2 0 283.420 -1.227 20 0 CAADRP [NH3+]CCN1CCC[C@H](C(=O)NC[C@@H]2C[NH2+]CCCO2)C1=O ZINC001340312644 885798125 /nfs/dbraw/zinc/79/81/25/885798125.db2.gz NZOSQHOAZFHWQB-NWDGAFQWSA-N 2 0 298.387 -1.322 20 0 CAADRP CC[NH+]1CCN([C@@H](C)CNC(=O)[C@H]([NH3+])CO)CC1 ZINC001340239647 885798189 /nfs/dbraw/zinc/79/81/89/885798189.db2.gz AUYXQPNAFMDXKG-WDEREUQCSA-N 2 0 258.366 -1.552 20 0 CAADRP COC1CC[NH+](CCNC(=O)C[C@@H](O)C[NH3+])CC1 ZINC001340236008 885799060 /nfs/dbraw/zinc/79/90/60/885799060.db2.gz XBLCSQSVCQSVPR-SNVBAGLBSA-N 2 0 259.350 -1.077 20 0 CAADRP [NH3+]CCN1CCC[C@H](C(=O)NC[C@H]2C[NH2+]CCCO2)C1=O ZINC001340312650 885799999 /nfs/dbraw/zinc/79/99/99/885799999.db2.gz NZOSQHOAZFHWQB-VXGBXAGGSA-N 2 0 298.387 -1.322 20 0 CAADRP O=C([C@H]1CC(=O)N(C2C[NH2+]C2)C1)N1CCC[NH2+]CC1 ZINC001340464148 885802482 /nfs/dbraw/zinc/80/24/82/885802482.db2.gz TUZIPMIDWUTJSG-JTQLQIEISA-N 2 0 266.345 -1.371 20 0 CAADRP [NH3+]CCN1CCC[C@H](C(=O)N[C@@H]2COC3(C[NH2+]C3)C2)C1=O ZINC001340617930 885807537 /nfs/dbraw/zinc/80/75/37/885807537.db2.gz ZMZXQMCMELSQKQ-WDEREUQCSA-N 2 0 296.371 -1.569 20 0 CAADRP CN(CCC[NH3+])C(=O)[C@H]1CCCN(CC[NH3+])C1=O ZINC001340622288 885810460 /nfs/dbraw/zinc/81/04/60/885810460.db2.gz QHDOCYJVJOBKBT-SNVBAGLBSA-N 2 0 256.350 -1.009 20 0 CAADRP C[C@H]([NH3+])CONC(=O)[C@@H]1CC(=O)N(C2C[NH2+]C2)C1 ZINC001340766720 885811623 /nfs/dbraw/zinc/81/16/23/885811623.db2.gz GNRXZJQUBSEJQO-JGVFFNPUSA-N 2 0 256.306 -1.798 20 0 CAADRP C[NH2+]C[C@H](O)CN(C)C(=O)[C@@]1(COC)CC[NH2+]C1 ZINC001340745701 885812246 /nfs/dbraw/zinc/81/22/46/885812246.db2.gz FMJDYWXCPDFLTK-JQWIXIFHSA-N 2 0 259.350 -1.349 20 0 CAADRP O=C(NCC1(O)C[NH2+]C1)C1=NO[C@@]2(C1)CCC[NH2+]C2 ZINC001340708731 885812381 /nfs/dbraw/zinc/81/23/81/885812381.db2.gz KDMAGYKPXNBDPR-GFCCVEGCSA-N 2 0 268.317 -1.665 20 0 CAADRP [NH3+]CCN1CCC[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)C1=O ZINC001340752267 885812465 /nfs/dbraw/zinc/81/24/65/885812465.db2.gz WXYKVVYPVPCFAY-GARJFASQSA-N 2 0 266.345 -1.244 20 0 CAADRP C[NH2+]C1CC(C(=O)N2NC(=O)C[C@]23CC[NH2+]C3)C1 ZINC001340777339 885812588 /nfs/dbraw/zinc/81/25/88/885812588.db2.gz FUXUPKODEQAKNV-KWPJZBAWSA-N 2 0 252.318 -1.020 20 0 CAADRP C[NH2+]C[C@H](O)CN(C)C(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC001340863193 885815197 /nfs/dbraw/zinc/81/51/97/885815197.db2.gz NYXFWSVWNQZRGU-NHCYSSNCSA-N 2 0 257.334 -1.739 20 0 CAADRP [NH3+]CCN1CCC[C@H](C(=O)N2CCOC3(C[NH2+]C3)C2)C1=O ZINC001340807182 885815274 /nfs/dbraw/zinc/81/52/74/885815274.db2.gz LKSGZFMQUSKRIG-NSHDSACASA-N 2 0 296.371 -1.616 20 0 CAADRP C[NH+](C)CCC[C@H]1CN(C(=O)[C@H]([NH3+])CO)CCO1 ZINC001340785798 885815935 /nfs/dbraw/zinc/81/59/35/885815935.db2.gz HZOHNNXZGBBADT-WDEREUQCSA-N 2 0 259.350 -1.125 20 0 CAADRP CC[NH+]1CCN(CCNC(=O)C[C@@H](O)C[NH3+])CC1 ZINC001340894950 885819054 /nfs/dbraw/zinc/81/90/54/885819054.db2.gz NAOWZYXMMWSMBN-LLVKDONJSA-N 2 0 258.366 -1.550 20 0 CAADRP C[NH+]1CCN(CCCNC(=O)[C@@H]([NH3+])C(C)(C)O)CC1 ZINC001340894187 885819460 /nfs/dbraw/zinc/81/94/60/885819460.db2.gz KLDKOGDFBQNWIP-LLVKDONJSA-N 2 0 272.393 -1.162 20 0 CAADRP CC[NH+]1CCN(CCNC(=O)C[C@H](O)C[NH3+])CC1 ZINC001340894951 885820956 /nfs/dbraw/zinc/82/09/56/885820956.db2.gz NAOWZYXMMWSMBN-NSHDSACASA-N 2 0 258.366 -1.550 20 0 CAADRP COC(=O)NCC(=O)NCCN1CCC([NH3+])CC1 ZINC001341056910 885822825 /nfs/dbraw/zinc/82/28/25/885822825.db2.gz OUKFTNIFGAGKPU-UHFFFAOYSA-N 2 0 258.322 -1.118 20 0 CAADRP C[C@@H]1C[NH2+]C[C@H]1NC(=O)[C@H]1CCCN(CC[NH3+])C1=O ZINC001341010948 885823844 /nfs/dbraw/zinc/82/38/44/885823844.db2.gz QQFOGVWJGOBXSW-GMTAPVOTSA-N 2 0 268.361 -1.092 20 0 CAADRP O=C(C[C@@H]1COCC[NH2+]1)N1CCNCC[NH2+]CC1 ZINC001341100283 885827071 /nfs/dbraw/zinc/82/70/71/885827071.db2.gz VBJHPDGRWGJECT-LLVKDONJSA-N 2 0 256.350 -1.614 20 0 CAADRP [NH3+][C@]1(CO)CCCN(C(=O)C[C@@H]2C[NH2+]CCO2)C1 ZINC001341116438 885827883 /nfs/dbraw/zinc/82/78/83/885827883.db2.gz PEAILAXWGGOJQU-ZYHUDNBSSA-N 2 0 257.334 -1.323 20 0 CAADRP [NH3+]CCN1CCC[C@@H](C(=O)NC[C@@H]2C[NH2+]CCO2)C1=O ZINC001341098399 885828574 /nfs/dbraw/zinc/82/85/74/885828574.db2.gz SWAFKGNWJZHJIF-QWRGUYRKSA-N 2 0 284.360 -1.712 20 0 CAADRP O=C(N[C@H]1CCC[NH2+]C1)[C@H]1CC(=O)N(C2C[NH2+]C2)C1 ZINC001341242416 885831411 /nfs/dbraw/zinc/83/14/11/885831411.db2.gz BRCIOCIOJNFMSZ-UWVGGRQHSA-N 2 0 266.345 -1.325 20 0 CAADRP O=C(N[C@H]1CCC[NH2+]C1)[C@@H]1CC(=O)N(C2C[NH2+]C2)C1 ZINC001341242418 885831592 /nfs/dbraw/zinc/83/15/92/885831592.db2.gz BRCIOCIOJNFMSZ-ZJUUUORDSA-N 2 0 266.345 -1.325 20 0 CAADRP O=C([C@H]1CC(=O)N(C2C[NH2+]C2)C1)N1CCNCC[NH2+]CC1 ZINC001341223352 885831625 /nfs/dbraw/zinc/83/16/25/885831625.db2.gz PWLBWLGJGRGGDV-NSHDSACASA-N 2 0 295.387 -2.172 20 0 CAADRP C[NH2+]CCNC(=O)[C@]12C[NH2+]C[C@H]1CS(=O)(=O)C2 ZINC001341245017 885831645 /nfs/dbraw/zinc/83/16/45/885831645.db2.gz UFMKCLQDFHPAPY-WPRPVWTQSA-N 2 0 261.347 -2.044 20 0 CAADRP [NH3+][C@H](Cc1ccccn1)C(=O)N1CCNCC[NH2+]CC1 ZINC001341224886 885832566 /nfs/dbraw/zinc/83/25/66/885832566.db2.gz XSXHUOZVOLADOE-CYBMUJFWSA-N 2 0 277.372 -1.027 20 0 CAADRP C[NH2+]C[C@H](O)CN(C)C(=O)[C@@]1(C)C[C@@H](OC)C[NH2+]1 ZINC001341491876 885841229 /nfs/dbraw/zinc/84/12/29/885841229.db2.gz BPYPHWBJTCMABI-HOSYDEDBSA-N 2 0 259.350 -1.208 20 0 CAADRP O=C(N[C@@H]1CC[NH2+]C1)[C@H]1CC(=O)N(C2C[NH2+]C2)C1 ZINC001341489560 885841500 /nfs/dbraw/zinc/84/15/00/885841500.db2.gz RZVITEJSTZHJMJ-DTWKUNHWSA-N 2 0 252.318 -1.715 20 0 CAADRP C[C@@H]1CN(C(=O)[C@H]2CC(=O)N(C3C[NH2+]C3)C2)CC[NH2+]1 ZINC001341660003 885849442 /nfs/dbraw/zinc/84/94/42/885849442.db2.gz PVXBSJSMYCRDEW-ZJUUUORDSA-N 2 0 266.345 -1.373 20 0 CAADRP C[C@H](CNC(=O)[C@H]1C[NH2+]CCN1C)N1CC[NH+](C)CC1 ZINC001341625896 885851293 /nfs/dbraw/zinc/85/12/93/885851293.db2.gz DCERCEYKKMDAKG-CHWSQXEVSA-N 2 0 283.420 -1.358 20 0 CAADRP COCC1(CNC(=O)C[C@H](O)C[NH3+])CC[NH2+]CC1 ZINC001341664690 885853355 /nfs/dbraw/zinc/85/33/55/885853355.db2.gz DCZWZELFMPKSLR-JTQLQIEISA-N 2 0 259.350 -1.172 20 0 CAADRP CN(C)c1ncc(CNC(=O)CNCC[NH3+])n1C ZINC001341701455 885853372 /nfs/dbraw/zinc/85/33/72/885853372.db2.gz SJUUYJOIQQIQHT-UHFFFAOYSA-N 2 0 254.338 -1.349 20 0 CAADRP COCC1(CNC(=O)C[C@@H](O)C[NH3+])CC[NH2+]CC1 ZINC001341664691 885854208 /nfs/dbraw/zinc/85/42/08/885854208.db2.gz DCZWZELFMPKSLR-SNVBAGLBSA-N 2 0 259.350 -1.172 20 0 CAADRP [NH3+]CCNCC(=O)N1CCC[C@H]1CN1CCOCC1 ZINC001341673100 885854234 /nfs/dbraw/zinc/85/42/34/885854234.db2.gz WITZTCFIFOTTHT-LBPRGKRZSA-N 2 0 270.377 -1.142 20 0 CAADRP CC1(C)CN(C(=O)CN2CCNCC2=O)C[C@H]1[NH3+] ZINC001341727700 885855173 /nfs/dbraw/zinc/85/51/73/885855173.db2.gz QKMMLCRDJGQTII-SECBINFHSA-N 2 0 254.334 -1.386 20 0 CAADRP CCC[NH2+]CCNC(=O)[C@@H]1CC(=O)N(C2C[NH2+]C2)C1 ZINC001341732730 885855188 /nfs/dbraw/zinc/85/51/88/885855188.db2.gz KKSAGSNFXNHNMO-SNVBAGLBSA-N 2 0 268.361 -1.078 20 0 CAADRP C[C@@H](CNC(=O)[C@H]1C[NH2+]CCN1C)C[NH+]1CCN(C)CC1 ZINC001341731898 885855663 /nfs/dbraw/zinc/85/56/63/885855663.db2.gz HGZMEIOQTVJMHT-UONOGXRCSA-N 2 0 297.447 -1.110 20 0 CAADRP CCO[C@@H](CNC(=O)CNC(=O)C[NH3+])C[NH+](C)C ZINC001341793952 885856838 /nfs/dbraw/zinc/85/68/38/885856838.db2.gz GRVAETCUOQVVTA-VIFPVBQESA-N 2 0 260.338 -1.856 20 0 CAADRP C[C@]1(C(=O)NC[C@H]2C[NH2+]CCCO2)C[C@H](O)C[NH2+]1 ZINC001341799799 885857433 /nfs/dbraw/zinc/85/74/33/885857433.db2.gz WBIBQGNOTFKDIB-HOSYDEDBSA-N 2 0 257.334 -1.406 20 0 CAADRP CN(CCCN1CC[NH+](C)CC1)C(=O)[C@H]([NH3+])CO ZINC001341823922 885857679 /nfs/dbraw/zinc/85/76/79/885857679.db2.gz ILQRNKSCLWDIDV-LLVKDONJSA-N 2 0 258.366 -1.598 20 0 CAADRP C[C@]1(C(=O)NC[C@H]2C[NH2+]CCCO2)C[C@@H](O)C[NH2+]1 ZINC001341799798 885857828 /nfs/dbraw/zinc/85/78/28/885857828.db2.gz WBIBQGNOTFKDIB-CKYFFXLPSA-N 2 0 257.334 -1.406 20 0 CAADRP COC[C@H]([NH3+])C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC001341789538 885857958 /nfs/dbraw/zinc/85/79/58/885857958.db2.gz YXFCILXFYDDPGR-MNOVXSKESA-N 2 0 256.350 -1.534 20 0 CAADRP C[C@]1(C(=O)NC[C@@H]2C[NH2+]CCCO2)C[C@H](O)C[NH2+]1 ZINC001341799800 885858029 /nfs/dbraw/zinc/85/80/29/885858029.db2.gz WBIBQGNOTFKDIB-JBLDHEPKSA-N 2 0 257.334 -1.406 20 0 CAADRP C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)NC[C@H]1C[NH2+]CCO1 ZINC001341847107 885860433 /nfs/dbraw/zinc/86/04/33/885860433.db2.gz KAADGGASQMFALT-UTUOFQBUSA-N 2 0 268.361 -1.521 20 0 CAADRP O=C(C[C@]1(O)CCC[NH2+]C1)NC[C@H]1C[NH2+]CCO1 ZINC001341942585 885864246 /nfs/dbraw/zinc/86/42/46/885864246.db2.gz HCTXDCIPHOVPJP-ZYHUDNBSSA-N 2 0 257.334 -1.404 20 0 CAADRP COC[C@H]([NH3+])C(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCN1C ZINC001341940444 885864408 /nfs/dbraw/zinc/86/44/08/885864408.db2.gz IZMYFIINUFWAQU-GARJFASQSA-N 2 0 258.366 -1.289 20 0 CAADRP O=C(C[C@@]1(O)CCC[NH2+]C1)NC[C@H]1C[NH2+]CCO1 ZINC001341942584 885865549 /nfs/dbraw/zinc/86/55/49/885865549.db2.gz HCTXDCIPHOVPJP-PWSUYJOCSA-N 2 0 257.334 -1.404 20 0 CAADRP C[C@H](NC(=O)C1(O)C[NH2+]C1)[C@@H]1C[N@H+](C)CCN1C ZINC001341939978 885865004 /nfs/dbraw/zinc/86/50/04/885865004.db2.gz AMLOMGKEIHEODF-UWVGGRQHSA-N 2 0 256.350 -1.929 20 0 CAADRP C[C@H](NC(=O)C1(O)C[NH2+]C1)[C@H]1C[N@H+](C)CCN1C ZINC001341939979 885865033 /nfs/dbraw/zinc/86/50/33/885865033.db2.gz AMLOMGKEIHEODF-VHSXEESVSA-N 2 0 256.350 -1.929 20 0 CAADRP C[C@@H](NC(=O)C1(O)C[NH2+]C1)[C@@H]1C[N@H+](C)CCN1C ZINC001341939980 885865843 /nfs/dbraw/zinc/86/58/43/885865843.db2.gz AMLOMGKEIHEODF-ZJUUUORDSA-N 2 0 256.350 -1.929 20 0 CAADRP [NH3+]C[C@@H]1OCC[C@H]1C(=O)N[C@H]1COC2(C[NH2+]C2)C1 ZINC001342125453 885871056 /nfs/dbraw/zinc/87/10/56/885871056.db2.gz ITWKVFZAZAJBON-BBBLOLIVSA-N 2 0 255.318 -1.403 20 0 CAADRP C[C@@]1(C(=O)N[C@H]2COC3(C[NH2+]C3)C2)C[NH2+]CCO1 ZINC001342124333 885872254 /nfs/dbraw/zinc/87/22/54/885872254.db2.gz BREOAZYJTCSCHL-KOLCDFICSA-N 2 0 255.318 -1.388 20 0 CAADRP COC[C@]1(C(=O)N(C)[C@@H]2[C@H]3C[NH2+]C[C@H]32)C[NH2+]CCO1 ZINC001342122165 885873091 /nfs/dbraw/zinc/87/30/91/885873091.db2.gz WVGYLKNVEJSHPW-WGBDABJCSA-N 2 0 269.345 -1.332 20 0 CAADRP C[C@H]([NH3+])CONC(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC001342163858 885875404 /nfs/dbraw/zinc/87/54/04/885875404.db2.gz PWOIIOYNWZILJI-UWVGGRQHSA-N 2 0 272.349 -1.209 20 0 CAADRP C[NH2+]C[C@H](O)[C@H](C)C(=O)N1CCOC2(C[NH2+]C2)C1 ZINC001342190931 885876684 /nfs/dbraw/zinc/87/66/84/885876684.db2.gz YBRCKPUQFHTNGU-UWVGGRQHSA-N 2 0 257.334 -1.596 20 0 CAADRP COC[C@@H]1C[NH2+]CCN1C(=O)C[C@@H]1COCC[NH2+]1 ZINC001342293981 885878975 /nfs/dbraw/zinc/87/89/75/885878975.db2.gz GOMYIBAXDPBYHN-MNOVXSKESA-N 2 0 257.334 -1.188 20 0 CAADRP C[NH2+]C[C@@H](C)NC(=O)[C@@H]1CC(=O)N(C2C[NH2+]C2)C1 ZINC001342266502 885879406 /nfs/dbraw/zinc/87/94/06/885879406.db2.gz XYEICGZDGSNRDG-RKDXNWHRSA-N 2 0 254.334 -1.469 20 0 CAADRP O=C([C@@H]1CC(=O)N(C2C[NH2+]C2)C1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC001342271064 885879579 /nfs/dbraw/zinc/87/95/79/885879579.db2.gz DDYFAJBAXOZKBR-UTLUCORTSA-N 2 0 264.329 -1.621 20 0 CAADRP C[NH2+]CCOCCN(C)C(=O)[C@@]1(C)C[C@@H](O)C[NH2+]1 ZINC001342222665 885880634 /nfs/dbraw/zinc/88/06/34/885880634.db2.gz YIYJRBFVSUKUIG-ZYHUDNBSSA-N 2 0 259.350 -1.206 20 0 CAADRP C[C@@H]([NH3+])CN(C)C(=O)[C@H]1CCCN(CC[NH3+])C1=O ZINC001342338667 885882379 /nfs/dbraw/zinc/88/23/79/885882379.db2.gz VMALAVRLOIWQPV-NXEZZACHSA-N 2 0 256.350 -1.011 20 0 CAADRP O=C(N1NC(=O)C[C@]12CC[NH2+]C2)[C@]1(F)CC[NH2+]C1 ZINC001342375635 885882688 /nfs/dbraw/zinc/88/26/88/885882688.db2.gz XKQCVYXJLYCREN-QWRGUYRKSA-N 2 0 256.281 -1.316 20 0 CAADRP COCCC1(NC(=O)C[C@@H](O)C[NH3+])CC[NH2+]CC1 ZINC001342317636 885883941 /nfs/dbraw/zinc/88/39/41/885883941.db2.gz CHNRBIHIZZYFBC-SNVBAGLBSA-N 2 0 259.350 -1.029 20 0 CAADRP O=C(N1NC(=O)C[C@@]12CC[NH2+]C2)[C@]1(F)CC[NH2+]C1 ZINC001342375633 885884257 /nfs/dbraw/zinc/88/42/57/885884257.db2.gz XKQCVYXJLYCREN-MNOVXSKESA-N 2 0 256.281 -1.316 20 0 CAADRP [NH3+]CCN1CCC[C@@H](C(=O)N2CC[NH2+]C[C@@H]2CO)C1=O ZINC001342438168 885887565 /nfs/dbraw/zinc/88/75/65/885887565.db2.gz GCOISWHMVWGZQV-GHMZBOCLSA-N 2 0 284.360 -2.024 20 0 CAADRP [NH3+][C@H]1CCCN(C(=O)[C@@H]2CC(=O)N(C3C[NH2+]C3)C2)C1 ZINC001342500556 885890054 /nfs/dbraw/zinc/89/00/54/885890054.db2.gz ABVGTQIGOZRIDI-ZJUUUORDSA-N 2 0 266.345 -1.244 20 0 CAADRP C[C@@H]1C[NH2+]C[C@H]1CNC(=O)c1cn(CC[NH3+])nn1 ZINC001342509444 885890300 /nfs/dbraw/zinc/89/03/00/885890300.db2.gz MCOAFEFQQLXMTG-BDAKNGLRSA-N 2 0 252.322 -1.178 20 0 CAADRP [NH3+][C@@H]1CN(C(=O)C2(O)C[NH2+]C2)C[C@H]1C(F)(F)F ZINC001342475297 885891379 /nfs/dbraw/zinc/89/13/79/885891379.db2.gz CQJJYDQKCMGYFJ-PHDIDXHHSA-N 2 0 253.224 -1.331 20 0 CAADRP [NH3+][C@H]1CCCN(C(=O)[C@H]2CC(=O)N(C3C[NH2+]C3)C2)C1 ZINC001342500536 885891645 /nfs/dbraw/zinc/89/16/45/885891645.db2.gz ABVGTQIGOZRIDI-UWVGGRQHSA-N 2 0 266.345 -1.244 20 0 CAADRP CN1CC[NH2+]C[C@@H]1C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC001342664098 885893872 /nfs/dbraw/zinc/89/38/72/885893872.db2.gz KBDWKFHUGQAMGU-QJPTWQEYSA-N 2 0 252.362 -1.042 20 0 CAADRP C[C@@H](NC(=O)CN1CC[NH2+]CC1)[C@@H]1C[N@H+](C)CCN1C ZINC001342717614 885896136 /nfs/dbraw/zinc/89/61/36/885896136.db2.gz MQVKCUQOZQFYBI-OLZOCXBDSA-N 2 0 283.420 -1.358 20 0 CAADRP C[C@@H](NC(=O)CN1CC[NH2+]CC1)[C@H]1C[N@H+](C)CCN1C ZINC001342717605 885896890 /nfs/dbraw/zinc/89/68/90/885896890.db2.gz MQVKCUQOZQFYBI-CHWSQXEVSA-N 2 0 283.420 -1.358 20 0 CAADRP C[C@H](NC(=O)CN1CC[NH2+]CC1)[C@@H]1C[N@H+](C)CCN1C ZINC001342717616 885898484 /nfs/dbraw/zinc/89/84/84/885898484.db2.gz MQVKCUQOZQFYBI-STQMWFEESA-N 2 0 283.420 -1.358 20 0 CAADRP [NH3+]CC(=O)NCC(=O)NCC[C@H]1CCC[NH2+]CC1 ZINC001342886232 885899721 /nfs/dbraw/zinc/89/97/21/885899721.db2.gz FIVSXEWVDHPGGS-JTQLQIEISA-N 2 0 256.350 -1.043 20 0 CAADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@@H]1C[NH2+]CC12CC2 ZINC001342865704 885901495 /nfs/dbraw/zinc/90/14/95/885901495.db2.gz KEALDBWLLOOWSD-KOLCDFICSA-N 2 0 268.361 -1.046 20 0 CAADRP O=C(NC[C@H]1C[NH2+]CCO1)[C@H]1[NH2+]CC12CCOCC2 ZINC001343099802 885903238 /nfs/dbraw/zinc/90/32/38/885903238.db2.gz PYLHDMONXYVWPJ-GHMZBOCLSA-N 2 0 269.345 -1.140 20 0 CAADRP C[NH2+]CCCNC(=O)[C@H]1CC(=O)N(C2C[NH2+]C2)C1 ZINC001343021813 885904184 /nfs/dbraw/zinc/90/41/84/885904184.db2.gz ODFDSPKKTCBXKI-VIFPVBQESA-N 2 0 254.334 -1.468 20 0 CAADRP C[NH2+]CCCNC(=O)[C@@H]1CC(=O)N(C2C[NH2+]C2)C1 ZINC001343021812 885904539 /nfs/dbraw/zinc/90/45/39/885904539.db2.gz ODFDSPKKTCBXKI-SECBINFHSA-N 2 0 254.334 -1.468 20 0 CAADRP O=C(NC[C@@H]1C[NH2+]CCO1)[C@@H]1[NH2+]CC12CCOCC2 ZINC001343099816 885904821 /nfs/dbraw/zinc/90/48/21/885904821.db2.gz PYLHDMONXYVWPJ-QWRGUYRKSA-N 2 0 269.345 -1.140 20 0 CAADRP COC[C@H]1C[NH2+]CCN1C(=O)C1=NO[C@H](C[NH3+])C1 ZINC001343054880 885905388 /nfs/dbraw/zinc/90/53/88/885905388.db2.gz NJVLBHPIOUKGPB-BDAKNGLRSA-N 2 0 256.306 -1.463 20 0 CAADRP COC[C@H]1C[NH2+]CCN1C(=O)[C@@H]1C[NH2+]CCN1C ZINC001343178484 885906958 /nfs/dbraw/zinc/90/69/58/885906958.db2.gz KTPSGNZVSQVXDQ-MNOVXSKESA-N 2 0 256.350 -1.663 20 0 CAADRP COC[C@H]1C[NH2+]CCN1C(=O)[C@H]1C[NH2+]CCN1C ZINC001343178478 885908398 /nfs/dbraw/zinc/90/83/98/885908398.db2.gz KTPSGNZVSQVXDQ-GHMZBOCLSA-N 2 0 256.350 -1.663 20 0 CAADRP C[C@@H](CNC(=O)C[C@H](O)C[NH3+])CN1CCOCC1 ZINC001343409449 885914789 /nfs/dbraw/zinc/91/47/89/885914789.db2.gz ODPYLINZISRYQS-QWRGUYRKSA-N 2 0 259.350 -1.219 20 0 CAADRP CN1CC[NH2+]C[C@H]1C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC001343506478 885916261 /nfs/dbraw/zinc/91/62/61/885916261.db2.gz FHBCQNUUOHGPSP-STQMWFEESA-N 2 0 281.404 -1.604 20 0 CAADRP COCC[NH2+]CCNC(=O)[C@]12C[NH2+]C[C@H]1CCOC2 ZINC001343460077 885917472 /nfs/dbraw/zinc/91/74/72/885917472.db2.gz VTOLKWGAUFDYRI-YPMHNXCESA-N 2 0 271.361 -1.035 20 0 CAADRP CN1CC[NH2+]C[C@H]1C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC001343506473 885918717 /nfs/dbraw/zinc/91/87/17/885918717.db2.gz FHBCQNUUOHGPSP-OLZOCXBDSA-N 2 0 281.404 -1.604 20 0 CAADRP CN(C(=O)CNC(=O)[C@@H]1CCC[NH2+]1)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001343654126 885919769 /nfs/dbraw/zinc/91/97/69/885919769.db2.gz FSYUXVFDGRIZDW-MIZYBKAJSA-N 2 0 266.345 -1.469 20 0 CAADRP C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)CNC(=O)C[NH3+])[C@H]2C1 ZINC001343592506 885921005 /nfs/dbraw/zinc/92/10/05/885921005.db2.gz MVRSDXAGJSZUPR-GUBZILKMSA-N 2 0 254.334 -1.482 20 0 CAADRP C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)CNC(=O)C[NH3+])[C@@H]2C1 ZINC001343592508 885921737 /nfs/dbraw/zinc/92/17/37/885921737.db2.gz MVRSDXAGJSZUPR-IVZWLZJFSA-N 2 0 254.334 -1.482 20 0 CAADRP C[C@]1(C(=O)N[C@H]2COC3(C[NH2+]C3)C2)C[C@H](O)C[NH2+]1 ZINC001344013042 885929957 /nfs/dbraw/zinc/92/99/57/885929957.db2.gz ZKVCYUCOUZXKLR-WCABBAIRSA-N 2 0 255.318 -1.654 20 0 CAADRP C[C@]1(C(=O)N[C@@H]2COC3(C[NH2+]C3)C2)C[C@H](O)C[NH2+]1 ZINC001344013039 885930251 /nfs/dbraw/zinc/93/02/51/885930251.db2.gz ZKVCYUCOUZXKLR-ATZCPNFKSA-N 2 0 255.318 -1.654 20 0 CAADRP CCN(CC[NH3+])C(=O)[C@H]1CCCN(CC[NH3+])C1=O ZINC001344127405 885935893 /nfs/dbraw/zinc/93/58/93/885935893.db2.gz BXHNYCXQLZJTRJ-SNVBAGLBSA-N 2 0 256.350 -1.009 20 0 CAADRP O=C(NC[C@@H]1COCC[NH2+]1)[C@]12C[NH2+]C[C@H]1CCOC2 ZINC001344356084 885940189 /nfs/dbraw/zinc/94/01/89/885940189.db2.gz AJJASPINUJNJNZ-WZRBSPASSA-N 2 0 269.345 -1.283 20 0 CAADRP C[NH2+]C[C@@H](O)CN(C)C(=O)C[NH2+]C[C@H]1CCCO1 ZINC001344385860 885940648 /nfs/dbraw/zinc/94/06/48/885940648.db2.gz BPDLJQQDFCUVSJ-GHMZBOCLSA-N 2 0 259.350 -1.206 20 0 CAADRP CN(CCOCC[NH3+])C(=O)[C@@H]1CC(=O)N(C2C[NH2+]C2)C1 ZINC001344357736 885940794 /nfs/dbraw/zinc/94/07/94/885940794.db2.gz QSTMKQFJYMKMAV-SNVBAGLBSA-N 2 0 284.360 -1.760 20 0 CAADRP C[NH2+]C[C@H](O)CN(C)C(=O)C[NH2+]C[C@@H]1CCCO1 ZINC001344385863 885940915 /nfs/dbraw/zinc/94/09/15/885940915.db2.gz BPDLJQQDFCUVSJ-QWRGUYRKSA-N 2 0 259.350 -1.206 20 0 CAADRP C[NH2+]C[C@H](O)CN(C)C(=O)C[NH2+]C[C@H]1CCCO1 ZINC001344385864 885940972 /nfs/dbraw/zinc/94/09/72/885940972.db2.gz BPDLJQQDFCUVSJ-WDEREUQCSA-N 2 0 259.350 -1.206 20 0 CAADRP O=C(CO[C@@H]1CCC[NH2+]C1)N1CC[NH2+]C[C@H]1CO ZINC001344519659 885944183 /nfs/dbraw/zinc/94/41/83/885944183.db2.gz VDBOUMOFACAFID-WDEREUQCSA-N 2 0 257.334 -1.452 20 0 CAADRP CN1CC[NH2+]C[C@@H]1C(=O)N1CCC[C@@]([NH3+])(CO)C1 ZINC001344988241 885955665 /nfs/dbraw/zinc/95/56/65/885955665.db2.gz KPTNRKJUDWJQOG-PWSUYJOCSA-N 2 0 256.350 -1.798 20 0 CAADRP COC[C@H]([NH3+])C(=O)N1CCC2(CC1)C[NH2+]CCO2 ZINC001345108032 885955696 /nfs/dbraw/zinc/95/56/96/885955696.db2.gz GXRXAPNYJQWRCH-JTQLQIEISA-N 2 0 257.334 -1.059 20 0 CAADRP CN(C1CC[NH2+]CC1)S(=O)(=O)NCC1([NH3+])CC1 ZINC001345136214 885956891 /nfs/dbraw/zinc/95/68/91/885956891.db2.gz FLROFSFYTXXHHQ-UHFFFAOYSA-N 2 0 262.379 -1.004 20 0 CAADRP [NH3+]CC(=O)NCC(=O)NC1(C2CC[NH2+]CC2)CC1 ZINC001345477674 885963288 /nfs/dbraw/zinc/96/32/88/885963288.db2.gz JEELAFMIFIEJJA-UHFFFAOYSA-N 2 0 254.334 -1.290 20 0 CAADRP COC(=O)NCC[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC001345616547 885966298 /nfs/dbraw/zinc/96/62/98/885966298.db2.gz DUMHQTZFBSRSOG-NSHDSACASA-N 2 0 274.365 -1.460 20 0 CAADRP COC[C@H]1C[NH2+]CCN1C(=O)[C@H]1CCCN(CC[NH3+])C1=O ZINC001345646328 885966329 /nfs/dbraw/zinc/96/63/29/885966329.db2.gz LAMCOAHUXVOZEF-NEPJUHHUSA-N 2 0 298.387 -1.370 20 0 CAADRP COC[C@@H]1C[NH2+]CCN1C(=O)[C@H]1CCCN(CC[NH3+])C1=O ZINC001345646330 885967133 /nfs/dbraw/zinc/96/71/33/885967133.db2.gz LAMCOAHUXVOZEF-RYUDHWBXSA-N 2 0 298.387 -1.370 20 0 CAADRP C[NH+](C)CCOCCNC(=O)C(=O)N[C@H]1C[C@H](C[NH3+])C1 ZINC001345958995 885976411 /nfs/dbraw/zinc/97/64/11/885976411.db2.gz RVNZXSALNAJQJH-XYPYZODXSA-N 2 0 286.376 -1.466 20 0 CAADRP [NH3+]CC(=O)NCC(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC001346027998 885980505 /nfs/dbraw/zinc/98/05/05/885980505.db2.gz DFKAGFOYPQHBCT-IVZWLZJFSA-N 2 0 254.334 -1.353 20 0 CAADRP [NH3+]CC(=O)NCC(=O)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC001346028407 885980524 /nfs/dbraw/zinc/98/05/24/885980524.db2.gz GXPMVPJHQRBMGT-WDEREUQCSA-N 2 0 268.361 -1.091 20 0 CAADRP CCO[C@@H](CNC(=O)C(=O)N(C)CCC[NH3+])C[NH+](C)C ZINC001346019512 885981321 /nfs/dbraw/zinc/98/13/21/885981321.db2.gz BESAODOWWXSBFR-NSHDSACASA-N 2 0 288.392 -1.124 20 0 CAADRP C(C[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1)N1CC[NH2+]CC1 ZINC001346028999 885981796 /nfs/dbraw/zinc/98/17/96/885981796.db2.gz RRESWXWFZNANMB-AWEZNQCLSA-N 3 0 267.421 -1.129 20 0 CAADRP NC(=O)CN1CCC[C@H](NC(=O)[C@H]2C[C@@H]([NH3+])C2)C1 ZINC001346103231 885985639 /nfs/dbraw/zinc/98/56/39/885985639.db2.gz GXDXSZKNTIQYSY-AEJSXWLSSA-N 2 0 254.334 -1.210 20 0 CAADRP O=C(NC1CC[NH2+]CC1)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC001346516040 886010081 /nfs/dbraw/zinc/01/00/81/886010081.db2.gz LURAVBRGNJDPLQ-NWDGAFQWSA-N 2 0 296.371 -1.868 20 0 CAADRP [NH3+]CCn1cc(C(=O)NCCN2CC[NH2+]CC2)nn1 ZINC001347147914 886028993 /nfs/dbraw/zinc/02/89/93/886028993.db2.gz ITKZUADTWVFMNS-UHFFFAOYSA-N 2 0 267.337 -2.128 20 0 CAADRP CN1CCN(C(=O)c2cn(CC[NH3+])nn2)[C@@H](C[NH3+])C1 ZINC001347150551 886029720 /nfs/dbraw/zinc/02/97/20/886029720.db2.gz ZHXXGBIHYKXRJK-VIFPVBQESA-N 2 0 267.337 -2.048 20 0 CAADRP [NH3+]C[C@H]1CC(C(=O)N2CCCO[C@@H](C[NH3+])C2)=NO1 ZINC001347156695 886030945 /nfs/dbraw/zinc/03/09/45/886030945.db2.gz BGKFDINVWJIARV-BDAKNGLRSA-N 2 0 256.306 -1.334 20 0 CAADRP CN(CCOCC[NH3+])C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC001348306157 886067932 /nfs/dbraw/zinc/06/79/32/886067932.db2.gz IPZRWCFJYOWJTH-LBPRGKRZSA-N 2 0 287.408 -1.151 20 0 CAADRP CC[S@@](=O)CC[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC001348957681 886110069 /nfs/dbraw/zinc/11/00/69/886110069.db2.gz LGYNPZOZQKDJMA-KZULUSFZSA-N 2 0 277.434 -1.047 20 0 CAADRP COC(=O)C[C@H]([NH3+])C(=O)N1CCO[C@H]([C@H](C)[NH3+])C1 ZINC001349155940 886115621 /nfs/dbraw/zinc/11/56/21/886115621.db2.gz MZOOJEUVEDPOPT-CIUDSAMLSA-N 2 0 259.306 -1.549 20 0 CAADRP COC(=O)C[C@H]([NH3+])C(=O)NCCN1CC[NH2+]CC1 ZINC001349139253 886116678 /nfs/dbraw/zinc/11/66/78/886116678.db2.gz TVHCYTNLKIDRNL-VIFPVBQESA-N 2 0 258.322 -2.102 20 0 CAADRP O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)NCC1C[NH2+]C1 ZINC001349156029 886116723 /nfs/dbraw/zinc/11/67/23/886116723.db2.gz OTMVCRVZTUFNKA-JTQLQIEISA-N 2 0 254.334 -1.420 20 0 CAADRP [NH3+]CC(=O)NCC(=O)NCc1ccccc1C[NH3+] ZINC001349385996 886124745 /nfs/dbraw/zinc/12/47/45/886124745.db2.gz GWBWFVXPHVVZPO-UHFFFAOYSA-N 2 0 250.302 -1.164 20 0 CAADRP [NH3+]CC(=O)NCC(=O)NCc1ccc(C[NH3+])cc1 ZINC001349420770 886129463 /nfs/dbraw/zinc/12/94/63/886129463.db2.gz NZNLJURVKBYKDW-UHFFFAOYSA-N 2 0 250.302 -1.164 20 0 CAADRP [NH3+][C@H]1C[C@H](CNC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC001349587065 886139161 /nfs/dbraw/zinc/13/91/61/886139161.db2.gz WKZCEFOOHSZQKI-GUBZILKMSA-N 2 0 254.334 -1.292 20 0 CAADRP C[NH+](C)CC[C@@H](N)C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC001349656074 886140816 /nfs/dbraw/zinc/14/08/16/886140816.db2.gz LBPLVSVVLFTNPE-CHWSQXEVSA-N 2 0 283.420 -1.229 20 0 CAADRP COC[C@@]1(C(=O)NC[C@H]2C[C@H]([NH3+])C2)C[NH2+]CCO1 ZINC001349620221 886141057 /nfs/dbraw/zinc/14/10/57/886141057.db2.gz IAQGDNIUTMMGAZ-CKYFFXLPSA-N 2 0 257.334 -1.155 20 0 CAADRP [NH3+]C/C=C/CNC(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC001349837832 886153151 /nfs/dbraw/zinc/15/31/51/886153151.db2.gz DBQNFGYKQXTWGU-ATOIVCMTSA-N 2 0 254.334 -1.038 20 0 CAADRP [NH3+]C1CCN(C(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)CC1 ZINC001349862644 886153705 /nfs/dbraw/zinc/15/37/05/886153705.db2.gz AOFJQYCAGLMXHM-NWDGAFQWSA-N 2 0 296.371 -1.787 20 0 CAADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC001350006091 886156667 /nfs/dbraw/zinc/15/66/67/886156667.db2.gz UFEYRPCECXUKAY-SDDRHHMPSA-N 2 0 295.387 -2.079 20 0 CAADRP [NH3+]CCCOC1CCN(C(=O)C2(O)C[NH2+]C2)CC1 ZINC001350399007 886170526 /nfs/dbraw/zinc/17/05/26/886170526.db2.gz RVXVQIUEESZXJC-UHFFFAOYSA-N 2 0 257.334 -1.323 20 0 CAADRP C[NH+](C)CCn1ccc(NC(=O)C(=O)N[C@@H]2CC[NH2+]C2)n1 ZINC001351538930 886211570 /nfs/dbraw/zinc/21/15/70/886211570.db2.gz LZTDJZUYJXHJBO-SNVBAGLBSA-N 2 0 294.359 -1.139 20 0 CAADRP C[C@H](C[NH3+])NS(=O)(=O)N(C)C1CC[NH2+]CC1 ZINC001351801870 886226564 /nfs/dbraw/zinc/22/65/64/886226564.db2.gz SWECNEMRUMTNIA-MRVPVSSYSA-N 2 0 250.368 -1.148 20 0 CAADRP C[NH2+]C[C@H](C)CNS(=O)(=O)C[C@H]1C[NH2+]CCO1 ZINC001351798616 886227108 /nfs/dbraw/zinc/22/71/08/886227108.db2.gz AMGXJGBPVNIQSY-VHSXEESVSA-N 2 0 265.379 -1.250 20 0 CAADRP NC(=O)CN1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC001351801896 886229758 /nfs/dbraw/zinc/22/97/58/886229758.db2.gz UDRYUAZRRXGOQD-HLTSFMKQSA-N 2 0 254.290 -1.661 20 0 CAADRP [NH3+]C[C@H]1C[C@H](NS(=O)(=O)C[C@@H]2C[NH2+]CCO2)C1 ZINC001352777299 886247662 /nfs/dbraw/zinc/24/76/62/886247662.db2.gz PXBDJIHQUUOWPU-GUBZILKMSA-N 2 0 263.363 -1.369 20 0 CAADRP CN(C(=O)[C@H]1CC(=O)N(C2C[NH2+]C2)C1)[C@@H]1CC[NH2+]C1 ZINC001353004653 886254219 /nfs/dbraw/zinc/25/42/19/886254219.db2.gz LJLOQDYVNLEKHS-VHSXEESVSA-N 2 0 266.345 -1.373 20 0 CAADRP CN(C(=O)[C@@H]1CC(=O)N(C2C[NH2+]C2)C1)[C@@H]1CC[NH2+]C1 ZINC001353004602 886255221 /nfs/dbraw/zinc/25/52/21/886255221.db2.gz LJLOQDYVNLEKHS-NXEZZACHSA-N 2 0 266.345 -1.373 20 0 CAADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC001353263081 886269461 /nfs/dbraw/zinc/26/94/61/886269461.db2.gz NWSCEEDLAODKRK-GRYCIOLGSA-N 2 0 297.403 -1.704 20 0 CAADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]CCn2ccnn2)CC1 ZINC001353242094 886269774 /nfs/dbraw/zinc/26/97/74/886269774.db2.gz VSERIQZRHPTYRJ-LBPRGKRZSA-N 2 0 268.365 -1.524 20 0 CAADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC001353263084 886270464 /nfs/dbraw/zinc/27/04/64/886270464.db2.gz NWSCEEDLAODKRK-IJLUTSLNSA-N 2 0 297.403 -1.704 20 0 CAADRP CN1CC[NH2+]C[C@H]1C(=O)NCCC[NH+]1CCC(O)CC1 ZINC001353483662 886277663 /nfs/dbraw/zinc/27/76/63/886277663.db2.gz XBAVOCZXLGSNKS-ZDUSSCGKSA-N 2 0 284.404 -1.147 20 0 CAADRP [NH3+][C@H]1C[C@H](CNC(=O)NCC(=O)N2CC[NH2+]CC2)C1 ZINC001353490282 886277805 /nfs/dbraw/zinc/27/78/05/886277805.db2.gz WHDMGVZNLHKQEG-MGCOHNPYSA-N 2 0 269.349 -1.545 20 0 CAADRP [NH3+]C1CCN(CCNC(=O)N2CCNCC[NH2+]CC2)CC1 ZINC001353466273 886278096 /nfs/dbraw/zinc/27/80/96/886278096.db2.gz FAWAXOQMYGMWOS-UHFFFAOYSA-N 2 0 298.435 -1.386 20 0 CAADRP COCC[N@H+](C)CCNC(=O)[C@@]1(C)C[C@H](O)C[NH2+]1 ZINC001353526854 886280464 /nfs/dbraw/zinc/28/04/64/886280464.db2.gz PPWSLUIDXGLMMQ-CMPLNLGQSA-N 2 0 259.350 -1.206 20 0 CAADRP COC[C@@H]1C[NH2+]CCN1C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001353429109 886281697 /nfs/dbraw/zinc/28/16/97/886281697.db2.gz KRAFBFNKUQLXDX-UKKRHICBSA-N 2 0 254.334 -1.166 20 0 CAADRP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)[C@H]1C[NH2+]CCN1C ZINC001353591818 886282933 /nfs/dbraw/zinc/28/29/33/886282933.db2.gz VZTDSMWKLFETDD-QWHCGFSZSA-N 2 0 283.420 -1.358 20 0 CAADRP CC[NH+]1CCN(CCNC(=O)CNCC[NH3+])CC1 ZINC001353583800 886284036 /nfs/dbraw/zinc/28/40/36/886284036.db2.gz UBWGVXZCFYPVDO-UHFFFAOYSA-N 2 0 257.382 -1.712 20 0 CAADRP COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)CNCC[NH3+] ZINC001353644200 886285744 /nfs/dbraw/zinc/28/57/44/886285744.db2.gz AQIQVASMEGGKTB-VIFPVBQESA-N 2 0 258.322 -2.102 20 0 CAADRP CN(Cc1cnnn1[C@H]1CCC[NH2+]C1)C[C@H](O)C[NH3+] ZINC001353943123 886295188 /nfs/dbraw/zinc/29/51/88/886295188.db2.gz LSRHIWRZROERGO-CMPLNLGQSA-N 2 0 268.365 -1.046 20 0 CAADRP O[C@H](Cn1cccn1)CN1CC[NH2+]CC[NH2+]CC1 ZINC001354183176 886300146 /nfs/dbraw/zinc/30/01/46/886300146.db2.gz AUISQTZNKLDWDU-LBPRGKRZSA-N 2 0 253.350 -1.261 20 0 CAADRP NS(=O)(=O)CCCN1CC[NH2+]CC[NH2+]CC1 ZINC001354184960 886301541 /nfs/dbraw/zinc/30/15/41/886301541.db2.gz NXNALSLZYKDMSF-UHFFFAOYSA-N 2 0 250.368 -1.840 20 0 CAADRP C[NH2+]C1CCN(S(=O)(=O)N2CC[NH2+]CC2)CC1 ZINC001354183892 886303630 /nfs/dbraw/zinc/30/36/30/886303630.db2.gz FWQSYYVJSVLQNX-UHFFFAOYSA-N 2 0 262.379 -1.180 20 0 CAADRP C[NH2+]C[C@H](O)CN(C)C(=O)C[C@]1(O)CCC[NH2+]C1 ZINC001354463048 886315278 /nfs/dbraw/zinc/31/52/78/886315278.db2.gz WGBFGGJZLXJFTH-CMPLNLGQSA-N 2 0 259.350 -1.470 20 0 CAADRP COC[C@]1(C(=O)NCC2(O)C[NH2+]C2)C[NH2+]CCO1 ZINC001354224909 886305456 /nfs/dbraw/zinc/30/54/56/886305456.db2.gz UWFDWFMPNWTJFS-NSHDSACASA-N 2 0 259.306 -2.558 20 0 CAADRP [NH3+]CC1(C(=O)N[C@@H]2COC3(C[NH2+]C3)C2)CC(O)C1 ZINC001354259043 886305640 /nfs/dbraw/zinc/30/56/40/886305640.db2.gz HGBUPGURCSTPBL-SILCLGDVSA-N 2 0 255.318 -1.667 20 0 CAADRP COC[C@@]1(C(=O)NCC2(O)C[NH2+]C2)C[NH2+]CCO1 ZINC001354224908 886306001 /nfs/dbraw/zinc/30/60/01/886306001.db2.gz UWFDWFMPNWTJFS-LLVKDONJSA-N 2 0 259.306 -2.558 20 0 CAADRP C[NH2+]CCOCCNC(=O)[C@H]1CC(=O)N(C2C[NH2+]C2)C1 ZINC001354397201 886311212 /nfs/dbraw/zinc/31/12/12/886311212.db2.gz MSZOBETUKZPTDX-JTQLQIEISA-N 2 0 284.360 -1.841 20 0 CAADRP [NH3+][C@@H]1CCO[C@@H]1C(=O)N1CCC[C@H]([NH2+]CCO)C1 ZINC001354438667 886311991 /nfs/dbraw/zinc/31/19/91/886311991.db2.gz YWIHBFTXJDNNNE-AXFHLTTASA-N 2 0 257.334 -1.325 20 0 CAADRP C[C@@H]1[NH2+]CC[C@H]1C(=O)N1NC(=O)C[C@]12CC[NH2+]C2 ZINC001354511830 886312786 /nfs/dbraw/zinc/31/27/86/886312786.db2.gz JQTBRRDRACLXMV-SBMIAAHKSA-N 2 0 252.318 -1.020 20 0 CAADRP C[NH2+]C[C@@H](O)CN(C)C(=O)C[C@]1(O)CCC[NH2+]C1 ZINC001354463051 886315535 /nfs/dbraw/zinc/31/55/35/886315535.db2.gz WGBFGGJZLXJFTH-ZYHUDNBSSA-N 2 0 259.350 -1.470 20 0 CAADRP O=C(c1[nH]nc2c1C[NH2+]CC2)N1CC[NH2+]C[C@@H]1CO ZINC001354595831 886317625 /nfs/dbraw/zinc/31/76/25/886317625.db2.gz ZYALNMDOWBPVII-MRVPVSSYSA-N 2 0 265.317 -1.538 20 0 CAADRP [NH3+][C@@H]1CCO[C@@H]1C(=O)NCCN1CCC([NH3+])CC1 ZINC001354770723 886325090 /nfs/dbraw/zinc/32/50/90/886325090.db2.gz CBDLGUBEWVIDHA-MNOVXSKESA-N 2 0 256.350 -1.358 20 0 CAADRP O=C(NCCCCCN1CC[NH2+]CC1)C1(O)C[NH2+]C1 ZINC001354968843 886329329 /nfs/dbraw/zinc/32/93/29/886329329.db2.gz GDLIJROAVJWZPO-UHFFFAOYSA-N 2 0 270.377 -1.488 20 0 CAADRP CC(C)[C@@H]([NH3+])C(=O)NCCC(=O)N1CCNCC[NH2+]CC1 ZINC001355016812 886329640 /nfs/dbraw/zinc/32/96/40/886329640.db2.gz VMMKMANTXJWTNX-CYBMUJFWSA-N 2 0 299.419 -1.503 20 0 CAADRP COC[C@@H]1C[NH2+]CCN1C(=O)CN1CC[NH2+]CC1 ZINC001355651937 886344713 /nfs/dbraw/zinc/34/47/13/886344713.db2.gz QFRBVMDOHIDFON-NSHDSACASA-N 2 0 256.350 -1.662 20 0 CAADRP COC[C@H]1C[NH2+]CCN1C(=O)CN1CC[NH2+]CC1 ZINC001355651931 886345490 /nfs/dbraw/zinc/34/54/90/886345490.db2.gz QFRBVMDOHIDFON-LLVKDONJSA-N 2 0 256.350 -1.662 20 0 CAADRP CN1CCN(C(=O)[C@H]2CCCN(CC[NH3+])C2=O)[C@@H](CO)C1 ZINC001356251610 886359210 /nfs/dbraw/zinc/35/92/10/886359210.db2.gz BXHBOVFLIKXHRI-NEPJUHHUSA-N 2 0 298.387 -1.681 20 0 CAADRP C[C@@H]([NH3+])C(=O)NC[C@@]1(CO)COC[C@@H]2CCC[N@@H+]21 ZINC001356401320 886362385 /nfs/dbraw/zinc/36/23/85/886362385.db2.gz AFUIJBJOCFEPRR-JFGNBEQYSA-N 2 0 257.334 -1.325 20 0 CAADRP C[C@H]([NH3+])C(=O)NC[C@@]1(CO)COC[C@@H]2CCC[N@@H+]21 ZINC001356401319 886362741 /nfs/dbraw/zinc/36/27/41/886362741.db2.gz AFUIJBJOCFEPRR-JBLDHEPKSA-N 2 0 257.334 -1.325 20 0 CAADRP C[NH+]1CCN(C[C@H](O)C[NH2+][C@H](CO)CCF)CC1 ZINC001356595678 886369485 /nfs/dbraw/zinc/36/94/85/886369485.db2.gz KXQYIROSYQUCCE-NWDGAFQWSA-N 2 0 263.357 -1.095 20 0 CAADRP C[NH2+]CCOCCN(C)C(=O)[C@H](C)[C@H](O)C[NH2+]C ZINC001357923656 886415811 /nfs/dbraw/zinc/41/58/11/886415811.db2.gz UUOJVFJONGGKAF-GHMZBOCLSA-N 2 0 261.366 -1.103 20 0 CAADRP CCON(C)C(=O)C[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC001357243059 886398288 /nfs/dbraw/zinc/39/82/88/886398288.db2.gz PRUXPFACUAXKRO-GFCCVEGCSA-N 2 0 288.392 -1.406 20 0 CAADRP CN(C)C(=O)OCC[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC001357242407 886398387 /nfs/dbraw/zinc/39/83/87/886398387.db2.gz MGZUSQDSIKQOEG-LBPRGKRZSA-N 2 0 288.392 -1.118 20 0 CAADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)[C@H]([NH3+])CO)C1 ZINC001357336834 886401026 /nfs/dbraw/zinc/40/10/26/886401026.db2.gz FGIIIJFNXHFHIS-WDEREUQCSA-N 2 0 259.350 -1.221 20 0 CAADRP C[NH2+]C[C@@H](O)[C@H](C)C(=O)NCC[N@H+](C)CCOC ZINC001357391677 886402288 /nfs/dbraw/zinc/40/22/88/886402288.db2.gz KZTAOFUVCFWJHU-WDEREUQCSA-N 2 0 261.366 -1.103 20 0 CAADRP COC[C@H]([NH3+])C(=O)NC[C@@H](C)N1CC[NH+](C)CC1 ZINC001357431336 886406878 /nfs/dbraw/zinc/40/68/78/886406878.db2.gz SSMTWOXXCCCUBA-MNOVXSKESA-N 2 0 258.366 -1.288 20 0 CAADRP C[C@@H]1C[NH2+]C[C@H]1NC(=O)N1CCOC2(C[NH2+]C2)C1 ZINC001357546243 886412521 /nfs/dbraw/zinc/41/25/21/886412521.db2.gz JWEJKLHVHRCKDM-NXEZZACHSA-N 2 0 254.334 -1.022 20 0 CAADRP [NH3+]CCCn1ccc(C(=O)NC[C@H]2C[NH2+]CCO2)n1 ZINC001357618470 886412737 /nfs/dbraw/zinc/41/27/37/886412737.db2.gz HEEMXVHKMBGESV-SNVBAGLBSA-N 2 0 267.333 -1.050 20 0 CAADRP C[NH2+]CCOCCN(C)C(=O)[C@@H](C)[C@@H](O)C[NH2+]C ZINC001357923658 886414621 /nfs/dbraw/zinc/41/46/21/886414621.db2.gz UUOJVFJONGGKAF-QWRGUYRKSA-N 2 0 261.366 -1.103 20 0 CAADRP O=C(N[C@H]1C[NH2+]C[C@H]1O)C1=NO[C@@]2(C1)CCC[NH2+]C2 ZINC001357888342 886414679 /nfs/dbraw/zinc/41/46/79/886414679.db2.gz DKWSAZNVCXLCHC-HOSYDEDBSA-N 2 0 268.317 -1.666 20 0 CAADRP C[C@H]1Cn2nc(C(=O)NCC3(O)C[NH2+]C3)cc2CN1 ZINC001357820803 886415590 /nfs/dbraw/zinc/41/55/90/886415590.db2.gz IHVFIBXAPJBCMV-QMMMGPOBSA-N 2 0 265.317 -1.561 20 0 CAADRP C[NH2+]CCOCCN(C)C(=O)[C@H](C)[C@@H](O)C[NH2+]C ZINC001357923657 886415932 /nfs/dbraw/zinc/41/59/32/886415932.db2.gz UUOJVFJONGGKAF-MNOVXSKESA-N 2 0 261.366 -1.103 20 0 CAADRP O=C(C[NH2+]C[C@H]1CCCO1)N1CC[NH2+]C[C@H]1CO ZINC001358037775 886417651 /nfs/dbraw/zinc/41/76/51/886417651.db2.gz OVDHCNYDMGUHGQ-WDEREUQCSA-N 2 0 257.334 -1.452 20 0 CAADRP O=C(C[NH2+]C[C@@H]1CCCO1)N1CC[NH2+]C[C@H]1CO ZINC001358037774 886418734 /nfs/dbraw/zinc/41/87/34/886418734.db2.gz OVDHCNYDMGUHGQ-QWRGUYRKSA-N 2 0 257.334 -1.452 20 0 CAADRP C[NH2+]C[C@H](O)[C@H](C)C(=O)N1CCC[C@@]([NH3+])(CO)C1 ZINC001358238763 886420325 /nfs/dbraw/zinc/42/03/25/886420325.db2.gz TZEMRNCODOWTBD-NHCYSSNCSA-N 2 0 259.350 -1.485 20 0 CAADRP [NH3+]C[C@@H]1[C@H](C(=O)N2CCNCC[NH2+]CC2)C1(F)F ZINC001358225032 886420356 /nfs/dbraw/zinc/42/03/56/886420356.db2.gz XFDHPBGFOPFPQZ-RKDXNWHRSA-N 2 0 262.304 -1.152 20 0 CAADRP C[NH2+]CCC(=O)N1CCNCCN(C(=O)CC[NH2+]C)CC1 ZINC001358183090 886421422 /nfs/dbraw/zinc/42/14/22/886421422.db2.gz JTJLQQGXXVFOKZ-UHFFFAOYSA-N 2 0 299.419 -1.534 20 0 CAADRP [NH3+][C@H](CO)C(=O)NCCCCCN1CC[NH2+]CC1 ZINC001358214671 886421535 /nfs/dbraw/zinc/42/15/35/886421535.db2.gz ZOSMCBGSNAQNAF-LLVKDONJSA-N 2 0 258.366 -1.502 20 0 CAADRP CN1CCN(C(=O)C2=NO[C@H](C[NH3+])C2)CC[N@H+](C)CC1 ZINC001358444201 886426721 /nfs/dbraw/zinc/42/67/21/886426721.db2.gz JGZRGDVYZVDWCS-NSHDSACASA-N 2 0 283.376 -1.204 20 0 CAADRP CN1CCN(C(=O)[C@@H](N)CC[NH+](C)C)CC[N@H+](C)CC1 ZINC001358444195 886426978 /nfs/dbraw/zinc/42/69/78/886426978.db2.gz IXNGFUUQFODEQK-ZDUSSCGKSA-N 2 0 285.436 -1.029 20 0 CAADRP C[NH+](C)C[C@H](CO)NC(=O)C[N@H+](C)[C@@H]1CCC[C@H]1O ZINC001362838293 886725979 /nfs/dbraw/zinc/72/59/79/886725979.db2.gz HBEYNAPIWIULPQ-IJLUTSLNSA-N 2 0 273.377 -1.130 20 0 CAADRP C[NH+](CC(=O)NCC[N@H+](C)CCO)[C@@H]1CCC[C@H]1O ZINC001363492843 886916374 /nfs/dbraw/zinc/91/63/74/886916374.db2.gz AWVMPYZSWSBQDI-VXGBXAGGSA-N 2 0 273.377 -1.128 20 0 CAADRP CCC[N@H+](C)CC(=O)N1CC[C@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001366391593 887297908 /nfs/dbraw/zinc/29/79/08/887297908.db2.gz WRKKQMDNAPYUSZ-JTQLQIEISA-N 2 0 299.375 -1.286 20 0 CAADRP C[C@@H]([NH2+]C[C@@H](O)CNC(=O)C12CCC[NH+]1CCC2)C(N)=O ZINC001367611357 887409839 /nfs/dbraw/zinc/40/98/39/887409839.db2.gz WHOHARAMUMSQCG-GHMZBOCLSA-N 2 0 298.387 -1.445 20 0 CAADRP CCC[N@H+](C)CC(=O)NC[C@@H](O)C[NH2+][C@@H]1CCNC1=O ZINC001367624535 887412904 /nfs/dbraw/zinc/41/29/04/887412904.db2.gz RALVKZXKMNRRRU-WDEREUQCSA-N 2 0 286.376 -1.717 20 0 CAADRP CC(C)[N@H+](C)CC(=O)NC[C@H](O)C[NH2+][C@@H]1CCNC1=O ZINC001367632064 887414560 /nfs/dbraw/zinc/41/45/60/887414560.db2.gz SLSRORGDKBBIEN-GHMZBOCLSA-N 2 0 286.376 -1.718 20 0 CAADRP NC(=O)C[NH2+]C[C@H](O)CNC(=O)CC[NH+]1CCCCC1 ZINC001367631636 887414881 /nfs/dbraw/zinc/41/48/81/887414881.db2.gz QKYAGOWPLJMINN-NSHDSACASA-N 2 0 286.376 -1.586 20 0 CAADRP CNC(=O)NC(=O)C[NH2+]C[C@H](C)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001367749175 887431179 /nfs/dbraw/zinc/43/11/79/887431179.db2.gz KIZLTGGKHPZHSX-VHSXEESVSA-N 2 0 299.375 -1.370 20 0 CAADRP C[NH+](C)CCC(=O)N[C@@H](C[NH2+]CC(=O)NC(N)=O)C1CC1 ZINC001367915076 887438324 /nfs/dbraw/zinc/43/83/24/887438324.db2.gz YKYBBDATWAJSGI-JTQLQIEISA-N 2 0 299.375 -1.383 20 0 CAADRP C[NH+](C)CCC(=O)N1CCC[C@H]1C[NH2+]CC(=O)NC(N)=O ZINC001368106543 887454781 /nfs/dbraw/zinc/45/47/81/887454781.db2.gz ICKFGCZOIVYFPN-JTQLQIEISA-N 2 0 299.375 -1.286 20 0 CAADRP C[NH+](C)CCCC(=O)NC[C@@]1(O)CC[N@H+](CCO)C1 ZINC001368266664 887467219 /nfs/dbraw/zinc/46/72/19/887467219.db2.gz VBUUIVUXTFZIJP-ZDUSSCGKSA-N 2 0 273.377 -1.127 20 0 CAADRP O=C(C[NH+]1CCCC1)NC[C@]1(O)CC[N@@H+](CCO)C1 ZINC001368290371 887470131 /nfs/dbraw/zinc/47/01/31/887470131.db2.gz UOPNDYKZNHZYKF-CYBMUJFWSA-N 2 0 271.361 -1.373 20 0 CAADRP C[C@H]([NH2+]CCN(CCO)C(=O)[C@H]1CCC[N@@H+]1C)C(N)=O ZINC001368398817 887486872 /nfs/dbraw/zinc/48/68/72/887486872.db2.gz PWSQPSJKAYVNPN-WDEREUQCSA-N 2 0 286.376 -1.635 20 0 CAADRP CC[C@@H](C(=O)N1CCO[C@@H](C[NH2+]CC(N)=O)C1)[NH+](C)C ZINC001368535738 887491384 /nfs/dbraw/zinc/49/13/84/887491384.db2.gz SOEJHPRQFKBRLO-QWRGUYRKSA-N 2 0 286.376 -1.371 20 0 CAADRP C[NH+](C)CCC(=O)NC[C@H]1C[C@@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001368495068 887491837 /nfs/dbraw/zinc/49/18/37/887491837.db2.gz MBGQUXDNTQKBKS-AOOOYVTPSA-N 2 0 299.375 -1.383 20 0 CAADRP C[N@@H+]1CC[C@H](C(=O)NC2(CO)CC[NH+](CCO)CC2)C1 ZINC001368782073 887500435 /nfs/dbraw/zinc/50/04/35/887500435.db2.gz ZOETVPXTSZOAGA-LBPRGKRZSA-N 2 0 285.388 -1.127 20 0 CAADRP C[NH+]1CCC(C(=O)NC[C@@H](CO)[NH2+]CC(N)=O)CC1 ZINC001369350557 887550692 /nfs/dbraw/zinc/55/06/92/887550692.db2.gz RZROQZOSTLWTHQ-JTQLQIEISA-N 2 0 272.349 -2.120 20 0 CAADRP CC[C@@H](C(=O)NC[C@@H](CO)[NH2+]CC(=O)NC)[NH+](C)C ZINC001369358515 887553065 /nfs/dbraw/zinc/55/30/65/887553065.db2.gz CJLNDYNIHSHTRW-UWVGGRQHSA-N 2 0 274.365 -1.861 20 0 CAADRP CC(C)[N@H+](C)CC(=O)NC[C@H](CO)[NH2+][C@H](C)C(N)=O ZINC001369371413 887561892 /nfs/dbraw/zinc/56/18/92/887561892.db2.gz GUIDXSBZKWYDPZ-NXEZZACHSA-N 2 0 274.365 -1.733 20 0 CAADRP C[C@H]1[C@H]([NH2+]CC(=O)NC(N)=O)CCN1C(=O)CC[NH+](C)C ZINC001369391535 887565041 /nfs/dbraw/zinc/56/50/41/887565041.db2.gz MHDAHTRXHQBWMV-VHSXEESVSA-N 2 0 299.375 -1.288 20 0 CAADRP CN(C[C@@H](O)C[NH2+]CC(N)=O)C(=O)C12CCC[NH+]1CCC2 ZINC001369470368 887573235 /nfs/dbraw/zinc/57/32/35/887573235.db2.gz FNQPVZKRYRANTO-NSHDSACASA-N 2 0 298.387 -1.491 20 0 CAADRP C[C@H]([NH2+]C[C@@H](O)CN(C)C(=O)C12CC[NH+](CC1)C2)C(N)=O ZINC001369482935 887576351 /nfs/dbraw/zinc/57/63/51/887576351.db2.gz KNZIEBKULRAKEZ-WDEREUQCSA-N 2 0 298.387 -1.635 20 0 CAADRP Cn1nnnc1CN[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001370393630 887605725 /nfs/dbraw/zinc/60/57/25/887605725.db2.gz HQPUOYUHDDVEJS-JTQLQIEISA-N 2 0 281.364 -1.148 20 0 CAADRP CNC(=O)C[NH2+][C@H]1CCN(C(=O)Cc2cncn2C)C1 ZINC001370405222 887606181 /nfs/dbraw/zinc/60/61/81/887606181.db2.gz OASVNVBSPFZNPH-JTQLQIEISA-N 2 0 279.344 -1.101 20 0 CAADRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001370502377 887611758 /nfs/dbraw/zinc/61/17/58/887611758.db2.gz TZIDTJBJGVIYQV-OPRDCNLKSA-N 2 0 297.359 -1.488 20 0 CAADRP C[C@@H]([NH2+][C@H]1C[C@H](NC(=O)CC[NH+](C)C)C1)C(=O)NC(N)=O ZINC001370523754 887612793 /nfs/dbraw/zinc/61/27/93/887612793.db2.gz UXOHRLFFHJNDSM-OPRDCNLKSA-N 2 0 299.375 -1.242 20 0 CAADRP C[C@@H](C[NH+]1CCOCC1)C(=O)NCC1C[NH+](CCO)C1 ZINC001373558381 887752438 /nfs/dbraw/zinc/75/24/38/887752438.db2.gz TUBHDXPUBNKBCD-LBPRGKRZSA-N 2 0 285.388 -1.005 20 0 CAADRP C[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C)C[NH2+]CC(=O)NC(N)=O ZINC001374058011 887774007 /nfs/dbraw/zinc/77/40/07/887774007.db2.gz WLAWBVFENKHQJI-NXEZZACHSA-N 2 0 299.375 -1.383 20 0 CAADRP C[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C)C[NH2+]CC(=O)NC(N)=O ZINC001374058016 887774790 /nfs/dbraw/zinc/77/47/90/887774790.db2.gz WLAWBVFENKHQJI-VHSXEESVSA-N 2 0 299.375 -1.383 20 0 CAADRP C[C@H](C[NH2+]CC(=O)NC(N)=O)N(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001374323464 887784307 /nfs/dbraw/zinc/78/43/07/887784307.db2.gz BREGLWZDMVQJBL-ZJUUUORDSA-N 2 0 299.375 -1.431 20 0 CAADRP C[C@H](C[NH2+]CC(=O)NC(N)=O)N(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001374323459 887786817 /nfs/dbraw/zinc/78/68/17/887786817.db2.gz BREGLWZDMVQJBL-NXEZZACHSA-N 2 0 299.375 -1.431 20 0 CAADRP Cn1nncc1C[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001374592161 887803108 /nfs/dbraw/zinc/80/31/08/887803108.db2.gz UCFAAJOLQQDLIQ-RYUDHWBXSA-N 2 0 296.375 -1.524 20 0 CAADRP C[C@H](O)C[NH2+]C[C@H](O)CNC(=O)C1([NH+](C)C)CCC1 ZINC001374619525 887816856 /nfs/dbraw/zinc/81/68/56/887816856.db2.gz YIUGYUZIQYNCDU-QWRGUYRKSA-N 2 0 273.377 -1.082 20 0 CAADRP CNC(=O)C[NH2+]C[C@@H](O)CNC(=O)C12CCC[NH+]1CCC2 ZINC001374621084 887817514 /nfs/dbraw/zinc/81/75/14/887817514.db2.gz ARDLKMDIAAUCIH-LLVKDONJSA-N 2 0 298.387 -1.573 20 0 CAADRP Cn1nccc1C[NH2+]C[C@H](O)CNC(=O)CC[NH+](C)C ZINC001374638592 887821585 /nfs/dbraw/zinc/82/15/85/887821585.db2.gz ALKYNLCOUXEBQA-LBPRGKRZSA-N 2 0 283.376 -1.062 20 0 CAADRP Cn1cc(C[NH2+]C[C@H](O)CNC(=O)CC[NH+](C)C)cn1 ZINC001374642418 887821618 /nfs/dbraw/zinc/82/16/18/887821618.db2.gz NQNRZDOGQZFBIN-LBPRGKRZSA-N 2 0 283.376 -1.062 20 0 CAADRP CC[C@@H](C(=O)NC[C@H](O)C[NH2+]CC(=O)N(C)C)[NH+](C)C ZINC001374652117 887822807 /nfs/dbraw/zinc/82/28/07/887822807.db2.gz IDRPKWVKHYNKNR-MNOVXSKESA-N 2 0 288.392 -1.519 20 0 CAADRP C[C@H](C[NH2+]CC(=O)NC(N)=O)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001374738453 887839305 /nfs/dbraw/zinc/83/93/05/887839305.db2.gz QLUXDXXYSKWPHO-RKDXNWHRSA-N 2 0 285.348 -1.630 20 0 CAADRP C[NH+]1CCC(OCC(=O)NCC2([NH2+]CC(N)=O)CC2)CC1 ZINC001375524893 887882583 /nfs/dbraw/zinc/88/25/83/887882583.db2.gz JQBTUBNFVQHLED-UHFFFAOYSA-N 2 0 298.387 -1.179 20 0 CAADRP C[N@@H+]1CCC[C@@H]1C(=O)NCCN1CC[NH+](CCO)CC1 ZINC001376089055 887903188 /nfs/dbraw/zinc/90/31/88/887903188.db2.gz JTLBYUKTYMEFRL-CYBMUJFWSA-N 2 0 284.404 -1.193 20 0 CAADRP C[N@@H+]1CC[C@@H](C(=O)NC[C@]2(O)CC[NH+](CCO)C2)C1 ZINC001376100068 887903998 /nfs/dbraw/zinc/90/39/98/887903998.db2.gz SOJQLBGZWUBYBZ-DGCLKSJQSA-N 2 0 271.361 -1.517 20 0 CAADRP C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001376368894 887923688 /nfs/dbraw/zinc/92/36/88/887923688.db2.gz TZIDTJBJGVIYQV-GUBZILKMSA-N 2 0 297.359 -1.488 20 0 CAADRP C[C@@H](CNC(=O)C[N@H+](C)C1CCC1)[NH2+]CC(=O)NC(N)=O ZINC001376746196 887957074 /nfs/dbraw/zinc/95/70/74/887957074.db2.gz ZYKDAOVXKQYNLE-VIFPVBQESA-N 2 0 299.375 -1.240 20 0 CAADRP C[C@H](CNC(=O)C[N@H+](C)C1CCC1)[NH2+]CC(=O)NC(N)=O ZINC001376746195 887957179 /nfs/dbraw/zinc/95/71/79/887957179.db2.gz ZYKDAOVXKQYNLE-SECBINFHSA-N 2 0 299.375 -1.240 20 0 CAADRP COC[C@@H](O)C[N@H+](C)CCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001377259917 887987964 /nfs/dbraw/zinc/98/79/64/887987964.db2.gz FQTODKCVTOEKFS-NEPJUHHUSA-N 2 0 273.377 -1.007 20 0 CAADRP Cn1nnnc1CNC[C@@H](O)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001379192001 888097754 /nfs/dbraw/zinc/09/77/54/888097754.db2.gz UWWOWIRYSAHRHP-ZJUUUORDSA-N 2 0 297.363 -2.129 20 0 CAADRP CNC(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001379204949 888104353 /nfs/dbraw/zinc/10/43/53/888104353.db2.gz CUYKZTBLPFIWCU-VXGBXAGGSA-N 2 0 298.387 -1.859 20 0 CAADRP CNC(=O)C[NH2+]C[C@H](O)CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001379204946 888104480 /nfs/dbraw/zinc/10/44/80/888104480.db2.gz CUYKZTBLPFIWCU-RYUDHWBXSA-N 2 0 298.387 -1.859 20 0 CAADRP Cn1nncc1C[NH2+]C[C@@H](O)CNC(=O)CC[NH+](C)C ZINC001379239597 888110744 /nfs/dbraw/zinc/11/07/44/888110744.db2.gz OAZYPKIDPSLEOB-LLVKDONJSA-N 2 0 284.364 -1.667 20 0 CAADRP C[NH+](C)CCCC(=O)NC[C@H](O)C[NH2+][C@@H]1CCNC1=O ZINC001379239960 888111047 /nfs/dbraw/zinc/11/10/47/888111047.db2.gz PUEMCVYMUKEPPW-GHMZBOCLSA-N 2 0 286.376 -1.717 20 0 CAADRP C[NH+](C)CCCC(=O)NC[C@@H](O)C[NH2+][C@H]1CCNC1=O ZINC001379239962 888111484 /nfs/dbraw/zinc/11/14/84/888111484.db2.gz PUEMCVYMUKEPPW-QWRGUYRKSA-N 2 0 286.376 -1.717 20 0 CAADRP CN1CC[C@@H]([NH2+]C[C@@H](O)CNC(=O)CC[NH+](C)C)C1=O ZINC001379239118 888111758 /nfs/dbraw/zinc/11/17/58/888111758.db2.gz GJGZAKZXKUGQKM-GHMZBOCLSA-N 2 0 286.376 -1.765 20 0 CAADRP CN(C)C(=O)C[NH2+]C[C@H](O)CNC(=O)CC[NH+](C)C ZINC001379238426 888111936 /nfs/dbraw/zinc/11/19/36/888111936.db2.gz KZPLBYMKXDHXPW-JTQLQIEISA-N 2 0 274.365 -1.907 20 0 CAADRP C[NH+](C)CCCC(=O)NC[C@@H](O)C[NH2+][C@@H]1CCNC1=O ZINC001379239963 888112206 /nfs/dbraw/zinc/11/22/06/888112206.db2.gz PUEMCVYMUKEPPW-WDEREUQCSA-N 2 0 286.376 -1.717 20 0 CAADRP CC[C@@H](C(=O)NC[C@H](O)C[NH2+]CC(=O)NC)[NH+](C)C ZINC001379259111 888115206 /nfs/dbraw/zinc/11/52/06/888115206.db2.gz OAIPWCZTAILTNT-ZJUUUORDSA-N 2 0 274.365 -1.861 20 0 CAADRP O=C(C[NH2+]C[C@H](O)CNC(=O)C[NH+]1CCCC1)NC1CC1 ZINC001379281725 888117632 /nfs/dbraw/zinc/11/76/32/888117632.db2.gz FFVGQFOHQHVLEW-LBPRGKRZSA-N 2 0 298.387 -1.573 20 0 CAADRP C[C@H]([NH2+]C[C@H](O)CNC(=O)C[NH+]1CCCC1)C(N)=O ZINC001379289982 888119038 /nfs/dbraw/zinc/11/90/38/888119038.db2.gz QDZPVPKQGRCJKI-UWVGGRQHSA-N 2 0 272.349 -1.977 20 0 CAADRP C[N@@H+]1CC[C@H](C(=O)NC[C@H](O)C[NH2+]CC(=O)N2CCC2)C1 ZINC001379289004 888119415 /nfs/dbraw/zinc/11/94/15/888119415.db2.gz NOKPRJIZFBJPAX-NWDGAFQWSA-N 2 0 298.387 -1.763 20 0 CAADRP Cn1nccc1C[NH2+]C[C@H](O)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001379293609 888122070 /nfs/dbraw/zinc/12/20/70/888122070.db2.gz XEJSCHPHKBVTSO-YPMHNXCESA-N 2 0 295.387 -1.062 20 0 CAADRP Cn1nccc1C[NH2+]C[C@@H](O)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001379293607 888123077 /nfs/dbraw/zinc/12/30/77/888123077.db2.gz XEJSCHPHKBVTSO-WCQYABFASA-N 2 0 295.387 -1.062 20 0 CAADRP C[C@H](C[NH2+]CC(=O)NC(N)=O)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001379383594 888134752 /nfs/dbraw/zinc/13/47/52/888134752.db2.gz BFTNUHZCYFPVAM-ZJUUUORDSA-N 2 0 299.375 -1.240 20 0 CAADRP CC[C@@H]1[C@@H](C(=O)NC[C@H](CO)[NH2+]CCO)CC[N@@H+]1C ZINC001379392243 888135492 /nfs/dbraw/zinc/13/54/92/888135492.db2.gz BYQPJWYWLIUEJL-GRYCIOLGSA-N 2 0 273.377 -1.224 20 0 CAADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@H](CO)[NH2+]CCO ZINC001379409750 888140359 /nfs/dbraw/zinc/14/03/59/888140359.db2.gz XFYGRVIEFLBZJM-NEPJUHHUSA-N 2 0 273.377 -1.082 20 0 CAADRP C[C@@H](O)C[NH2+][C@@H](CO)CNC(=O)C1([NH+](C)C)CCC1 ZINC001379412890 888141365 /nfs/dbraw/zinc/14/13/65/888141365.db2.gz QOQCKIOKILLPBZ-GHMZBOCLSA-N 2 0 273.377 -1.082 20 0 CAADRP C[C@H]([NH2+][C@@H](CO)CNC(=O)C[N@H+](C)C1CCC1)C(N)=O ZINC001379406669 888140660 /nfs/dbraw/zinc/14/06/60/888140660.db2.gz ALCNNGSVYMZEPJ-VHSXEESVSA-N 2 0 286.376 -1.589 20 0 CAADRP C[C@H]([NH2+][C@H](CO)CNC(=O)C[N@H+](C)C1CCC1)C(N)=O ZINC001379406668 888141447 /nfs/dbraw/zinc/14/14/47/888141447.db2.gz ALCNNGSVYMZEPJ-UWVGGRQHSA-N 2 0 286.376 -1.589 20 0 CAADRP NC(=O)C[NH2+][C@H](CO)CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001379436313 888144006 /nfs/dbraw/zinc/14/40/06/888144006.db2.gz MDVYLVNXXARMIL-NSHDSACASA-N 2 0 298.387 -1.586 20 0 CAADRP C[NH+](C)CC1(C(=O)NC[C@H](CO)[NH2+]CC(N)=O)CC1 ZINC001379478912 888150262 /nfs/dbraw/zinc/15/02/62/888150262.db2.gz OPMYKZUBEFKLEL-SECBINFHSA-N 2 0 272.349 -2.120 20 0 CAADRP CNC(=O)[C@@H](C)[NH2+][C@@H](CO)CNC(=O)C[N@H+](C)C(C)C ZINC001379526652 888160557 /nfs/dbraw/zinc/16/05/57/888160557.db2.gz RCLYTIKMZGSVMV-GHMZBOCLSA-N 2 0 288.392 -1.472 20 0 CAADRP C[C@@H](C[NH2+]CC(=O)NC(N)=O)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001379517652 888161024 /nfs/dbraw/zinc/16/10/24/888161024.db2.gz BFTNUHZCYFPVAM-VHSXEESVSA-N 2 0 299.375 -1.240 20 0 CAADRP CN1CC[C@@H]([NH2+][C@@H](CO)CNC(=O)C[NH+]2CCCC2)C1=O ZINC001379523668 888161394 /nfs/dbraw/zinc/16/13/94/888161394.db2.gz CXMOWBMCZGEBAU-VXGBXAGGSA-N 2 0 298.387 -1.620 20 0 CAADRP CNC(=O)C[NH2+]C[C@H](O)CN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001379869865 888178095 /nfs/dbraw/zinc/17/80/95/888178095.db2.gz JXTIDDNWQXKAKA-NSHDSACASA-N 2 0 298.387 -1.763 20 0 CAADRP CNC(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001379869864 888179540 /nfs/dbraw/zinc/17/95/40/888179540.db2.gz JXTIDDNWQXKAKA-LLVKDONJSA-N 2 0 298.387 -1.763 20 0 CAADRP C[C@H]([NH2+]CCN(CCO)C(=O)[C@@H]1CCC[N@@H+]1C)C(N)=O ZINC001380767036 888232433 /nfs/dbraw/zinc/23/24/33/888232433.db2.gz PWSQPSJKAYVNPN-QWRGUYRKSA-N 2 0 286.376 -1.635 20 0 CAADRP C[C@@H]([NH2+]CCN(CCO)C(=O)[C@@H]1CCC[N@@H+]1C)C(N)=O ZINC001380767031 888232850 /nfs/dbraw/zinc/23/28/50/888232850.db2.gz PWSQPSJKAYVNPN-MNOVXSKESA-N 2 0 286.376 -1.635 20 0 CAADRP C[C@@H]1CC[N@H+](CC(=O)N2CCO[C@H](C[NH2+]CC(N)=O)C2)C1 ZINC001380909279 888234208 /nfs/dbraw/zinc/23/42/08/888234208.db2.gz AZCNLTQKNAZJJA-VXGBXAGGSA-N 2 0 298.387 -1.370 20 0 CAADRP C[NH+](C)CC1(C(=O)N2CCO[C@H](C[NH2+]CC(N)=O)C2)CC1 ZINC001380915063 888235422 /nfs/dbraw/zinc/23/54/22/888235422.db2.gz LOGJFDQTSXEQGX-LLVKDONJSA-N 2 0 298.387 -1.370 20 0 CAADRP C[C@H]1C[C@@H](C(=O)NC[C@@H](CO)[NH2+]CC(N)=O)CC[N@@H+]1C ZINC001382234904 888306816 /nfs/dbraw/zinc/30/68/16/888306816.db2.gz KNRMPXVNNZLCIM-DCAQKATOSA-N 2 0 286.376 -1.731 20 0 CAADRP C[NH+](C)CCC(=O)NC[C@@H](CO)[NH2+][C@H]1CCCNC1=O ZINC001382235703 888309218 /nfs/dbraw/zinc/30/92/18/888309218.db2.gz NKEMTKRYUIYDJX-QWRGUYRKSA-N 2 0 286.376 -1.717 20 0 CAADRP C[C@H]1C[C@@H](C(=O)NC[C@H](CO)[NH2+]CC(N)=O)CC[N@@H+]1C ZINC001382234905 888309763 /nfs/dbraw/zinc/30/97/63/888309763.db2.gz KNRMPXVNNZLCIM-GARJFASQSA-N 2 0 286.376 -1.731 20 0 CAADRP C[N@H+](CC(=O)NC[C@@H](CO)[NH2+]CC(N)=O)CC(C)(C)C ZINC001382258751 888319722 /nfs/dbraw/zinc/31/97/22/888319722.db2.gz YHIPDJBQHCUFEA-JTQLQIEISA-N 2 0 288.392 -1.484 20 0 CAADRP CC[C@H](C(=O)N(C)C[C@H](O)C[NH2+]CC(=O)NC)[NH+](C)C ZINC001382397269 888347614 /nfs/dbraw/zinc/34/76/14/888347614.db2.gz AMBWPYOWEMXIRX-GHMZBOCLSA-N 2 0 288.392 -1.519 20 0 CAADRP CNC(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)CC[NH+](C)C ZINC001382417800 888352430 /nfs/dbraw/zinc/35/24/30/888352430.db2.gz XQUAHJSSFBYQEI-SNVBAGLBSA-N 2 0 274.365 -1.907 20 0 CAADRP CNC(=O)C[NH2+]C[C@H](O)CN(C)C(=O)CC[NH+](C)C ZINC001382417797 888352995 /nfs/dbraw/zinc/35/29/95/888352995.db2.gz XQUAHJSSFBYQEI-JTQLQIEISA-N 2 0 274.365 -1.907 20 0 CAADRP CN(C[C@@H](O)C[N@H+](C)CCO)C(=O)[C@H]1CCC[NH+]1C ZINC001382470371 888363400 /nfs/dbraw/zinc/36/34/00/888363400.db2.gz DNVPJHKUCHUBOU-NWDGAFQWSA-N 2 0 273.377 -1.176 20 0 CAADRP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@H]1C[C@@H]([NH2+]CC(N)=O)C1 ZINC001390017127 888570410 /nfs/dbraw/zinc/57/04/10/888570410.db2.gz XWMHMLQASIQARW-UTUOFQBUSA-N 2 0 298.387 -1.323 20 0 CAADRP 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 888574953 /nfs/dbraw/zinc/57/49/53/888574953.db2.gz HYNLTZIAFGNEFB-QSLWVIQJSA-N 2 0 297.399 -1.008 20 0 CAADRP C[C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)[NH2+]CC(=O)NC(N)=O ZINC001390453516 888580898 /nfs/dbraw/zinc/58/08/98/888580898.db2.gz LYDWDBTYLPDQTI-UWVGGRQHSA-N 2 0 299.375 -1.240 20 0 CAADRP C[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C)[NH2+]CC(=O)NC(N)=O ZINC001390464027 888587046 /nfs/dbraw/zinc/58/70/46/888587046.db2.gz XAPDEZQJJBADRO-RKDXNWHRSA-N 2 0 285.348 -1.630 20 0 CAADRP C[C@@H](C[NH2+]CC(=O)NC(N)=O)N(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001392092207 888665784 /nfs/dbraw/zinc/66/57/84/888665784.db2.gz QGKIWLAWQNJFDZ-VHSXEESVSA-N 2 0 299.375 -1.288 20 0 CAADRP CNC(=O)C[NH2+]C[C@H](O)CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001392384986 888690575 /nfs/dbraw/zinc/69/05/75/888690575.db2.gz IXQJDHVCDREHLB-WDEREUQCSA-N 2 0 286.376 -1.717 20 0 CAADRP CNC(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001392384973 888690794 /nfs/dbraw/zinc/69/07/94/888690794.db2.gz IXQJDHVCDREHLB-GHMZBOCLSA-N 2 0 286.376 -1.717 20 0 CAADRP Cn1nncc1C[NH2+]C[C@@H](O)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001392421586 888705264 /nfs/dbraw/zinc/70/52/64/888705264.db2.gz GIXDEHUHQZGBPI-CMPLNLGQSA-N 2 0 296.375 -1.667 20 0 CAADRP C[C@H]([NH2+]C[C@@H](O)CNC(=O)C12CC[NH+](CC1)C2)C(N)=O ZINC001392424382 888705819 /nfs/dbraw/zinc/70/58/19/888705819.db2.gz NRGWWDDPNPKJCX-VHSXEESVSA-N 2 0 284.360 -1.977 20 0 CAADRP O=C(C[NH+]1CCCC1)NC[C@H](O)C[NH2+][C@@H]1CCNC1=O ZINC001392428053 888706013 /nfs/dbraw/zinc/70/60/13/888706013.db2.gz PJZVBIBUYPJAJW-GHMZBOCLSA-N 2 0 284.360 -1.963 20 0 CAADRP Cn1nncc1C[NH2+]C[C@H](O)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001392421589 888706363 /nfs/dbraw/zinc/70/63/63/888706363.db2.gz GIXDEHUHQZGBPI-PWSUYJOCSA-N 2 0 296.375 -1.667 20 0 CAADRP C[C@@H]([NH2+]C[C@@H](O)CNC(=O)C12CC[NH+](CC1)C2)C(N)=O ZINC001392424376 888707304 /nfs/dbraw/zinc/70/73/04/888707304.db2.gz NRGWWDDPNPKJCX-NXEZZACHSA-N 2 0 284.360 -1.977 20 0 CAADRP Cn1nncc1C[NH2+]C[C@H](O)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001392421588 888707466 /nfs/dbraw/zinc/70/74/66/888707466.db2.gz GIXDEHUHQZGBPI-JQWIXIFHSA-N 2 0 296.375 -1.667 20 0 CAADRP O=C(NC[C@H](O)C[NH2+][C@H]1CCNC1=O)C12CC[NH+](CC1)C2 ZINC001392422396 888708200 /nfs/dbraw/zinc/70/82/00/888708200.db2.gz KHTHKQPNBJLYBZ-MNOVXSKESA-N 2 0 296.371 -1.963 20 0 CAADRP CNC(=O)C[NH2+]C[C@H](O)CNC(=O)C[N@H+](C)C(C)C ZINC001392427029 888708437 /nfs/dbraw/zinc/70/84/37/888708437.db2.gz LJRDUYOGZLBBJA-JTQLQIEISA-N 2 0 274.365 -1.861 20 0 CAADRP C[C@H]([NH2+]CCN(CCO)C(=O)C[NH+]1CCCC1)C(N)=O ZINC001393487864 888789773 /nfs/dbraw/zinc/78/97/73/888789773.db2.gz YVEIYVUFOBZPTM-NSHDSACASA-N 2 0 286.376 -1.634 20 0 CAADRP C[C@@H]([NH2+]CCN(CCO)C(=O)C[NH+]1CCCC1)C(N)=O ZINC001393487863 888792059 /nfs/dbraw/zinc/79/20/59/888792059.db2.gz YVEIYVUFOBZPTM-LLVKDONJSA-N 2 0 286.376 -1.634 20 0 CAADRP C[C@@H]([NH2+]C[C@H]1CN(C(=O)CC[NH+](C)C)CCO1)C(N)=O ZINC001393580013 888795228 /nfs/dbraw/zinc/79/52/28/888795228.db2.gz AJVXPCHZLHIXAU-MNOVXSKESA-N 2 0 286.376 -1.371 20 0 CAADRP C[N@@H+]1CC[C@@H](C(=O)N2CCO[C@@H](C[NH2+]CC(N)=O)C2)C1 ZINC001393587804 888795676 /nfs/dbraw/zinc/79/56/76/888795676.db2.gz TUNPTFGXJSDEKK-MNOVXSKESA-N 2 0 284.360 -1.760 20 0 CAADRP C[C@H](NC(=O)C[NH+]1CCCC1)[C@H](C)[NH2+]CC(=O)NC(N)=O ZINC001393996463 888811071 /nfs/dbraw/zinc/81/10/71/888811071.db2.gz RCZSYYNJBUGULD-UWVGGRQHSA-N 2 0 299.375 -1.240 20 0 CAADRP C[C@@H](NC(=O)C[NH+]1CCCC1)[C@H](C)[NH2+]CC(=O)NC(N)=O ZINC001393996472 888811402 /nfs/dbraw/zinc/81/14/02/888811402.db2.gz RCZSYYNJBUGULD-VHSXEESVSA-N 2 0 299.375 -1.240 20 0 CAADRP C[C@@H](CN(C)C(=O)[C@H]1CCC[N@@H+]1C)[NH2+]CC(=O)NC(N)=O ZINC001394510300 888836504 /nfs/dbraw/zinc/83/65/04/888836504.db2.gz YWDLYZPRYDULAO-VHSXEESVSA-N 2 0 299.375 -1.288 20 0 CAADRP O=C(NC[C@@H](CO)[NH2+]CCO)[C@H]1C[NH+]2CCC1CC2 ZINC001394582381 888850120 /nfs/dbraw/zinc/85/01/20/888850120.db2.gz DPELSLNJXGUAHF-RYUDHWBXSA-N 2 0 271.361 -1.613 20 0 CAADRP C[NH+](C)C1(C(=O)NC[C@H](CO)[NH2+][C@@H]2CCNC2=O)CCC1 ZINC001394613777 888861171 /nfs/dbraw/zinc/86/11/71/888861171.db2.gz VSLPWSMVBOLTQX-GHMZBOCLSA-N 2 0 298.387 -1.574 20 0 CAADRP CNC(=O)C[NH2+][C@H](CO)CNC(=O)C1(C[NH+](C)C)CC1 ZINC001394625265 888865326 /nfs/dbraw/zinc/86/53/26/888865326.db2.gz YBCAMQZIFMFVFZ-JTQLQIEISA-N 2 0 286.376 -1.859 20 0 CAADRP CC(C)[C@H](C(=O)NC[C@H](CO)[NH2+]CC(N)=O)[NH+](C)C ZINC001394640319 888870037 /nfs/dbraw/zinc/87/00/37/888870037.db2.gz BACLGZSPOUETGD-MWLCHTKSSA-N 2 0 274.365 -1.875 20 0 CAADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H](CO)[NH2+]CCO ZINC001394642681 888871214 /nfs/dbraw/zinc/87/12/14/888871214.db2.gz CXMTVBQDDWGJBA-VXGBXAGGSA-N 2 0 273.377 -1.080 20 0 CAADRP CN(C[C@H](O)C[NH2+]CC(N)=O)C(=O)C1(C[NH+](C)C)CC1 ZINC001394748333 888886987 /nfs/dbraw/zinc/88/69/87/888886987.db2.gz SHKBNNNEVVEDSM-SNVBAGLBSA-N 2 0 286.376 -1.778 20 0 CAADRP CN(C[C@H](O)C[NH2+]CC(N)=O)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001394748721 888887117 /nfs/dbraw/zinc/88/71/17/888887117.db2.gz XDECTCNXYLJFPR-MNOVXSKESA-N 2 0 286.376 -1.635 20 0 CAADRP CC[C@H](C(=O)N(C)C[C@@H](O)C[NH2+]CC(N)=O)[NH+](C)C ZINC001394742566 888889104 /nfs/dbraw/zinc/88/91/04/888889104.db2.gz LEGZUMMJXMSGAI-VHSXEESVSA-N 2 0 274.365 -1.779 20 0 CAADRP C[C@@H]([NH2+]C[C@H](O)CN(C)C(=O)CC[NH+](C)C)C(N)=O ZINC001394762706 888891002 /nfs/dbraw/zinc/89/10/02/888891002.db2.gz QJLJXKIEZITAFU-ZJUUUORDSA-N 2 0 274.365 -1.779 20 0 CAADRP CC(C)[N@H+](C)CC(=O)N(C)C[C@H](O)C[NH2+]CC(N)=O ZINC001394765693 888892592 /nfs/dbraw/zinc/89/25/92/888892592.db2.gz RNFKCKHSKFLDFV-SNVBAGLBSA-N 2 0 274.365 -1.779 20 0 CAADRP C[C@@H]([NH2+]C[C@H](O)CN(C)C(=O)C[NH+]1CCCC1)C(N)=O ZINC001394753754 888894273 /nfs/dbraw/zinc/89/42/73/888894273.db2.gz LCYYZBJMHUOIHW-MNOVXSKESA-N 2 0 286.376 -1.635 20 0 CAADRP CC(C)[C@@H](C(=O)N(C)C[C@H](O)C[NH2+]CC(N)=O)[NH+](C)C ZINC001394762968 888894653 /nfs/dbraw/zinc/89/46/53/888894653.db2.gz YANWZBHVCCYSIU-PWSUYJOCSA-N 2 0 288.392 -1.533 20 0 CAADRP C[C@H](CNC(=O)C[NH+]1CCCC1)[NH2+][C@@H](C)C(=O)NC(N)=O ZINC001399101893 889030121 /nfs/dbraw/zinc/03/01/21/889030121.db2.gz GMQAECZDSAAYNU-ZJUUUORDSA-N 2 0 299.375 -1.240 20 0 CAADRP C[C@@H]([NH2+][C@@H](C)CNC(=O)C[NH+]1CCCC1)C(=O)NC(N)=O ZINC001399101886 889030344 /nfs/dbraw/zinc/03/03/44/889030344.db2.gz GMQAECZDSAAYNU-VHSXEESVSA-N 2 0 299.375 -1.240 20 0 CAADRP CC[C@H](CNC(=O)C[NH+]1CCCC1)[NH2+]CC(=O)NC(N)=O ZINC001400935187 889122775 /nfs/dbraw/zinc/12/27/75/889122775.db2.gz VRYLPDSXAPBVLH-SNVBAGLBSA-N 2 0 299.375 -1.239 20 0 CAADRP CC[C@@H](CNC(=O)C[NH+]1CCCC1)[NH2+]CC(=O)NC(N)=O ZINC001400935183 889122826 /nfs/dbraw/zinc/12/28/26/889122826.db2.gz VRYLPDSXAPBVLH-JTQLQIEISA-N 2 0 299.375 -1.239 20 0 CAADRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](O)C[NH2+]CC(=O)N1CCC1 ZINC001401570729 889160933 /nfs/dbraw/zinc/16/09/33/889160933.db2.gz ZSLIYUAZSJZPER-VXGBXAGGSA-N 2 0 298.387 -1.620 20 0 CAADRP C[C@@H]([NH2+]C[C@@H](O)CNC(=O)C1(C[NH+](C)C)CC1)C(N)=O ZINC001401567102 889161377 /nfs/dbraw/zinc/16/13/77/889161377.db2.gz KHEVDIMRTULPSX-NXEZZACHSA-N 2 0 286.376 -1.731 20 0 CAADRP C[C@H]1C[C@@H](C(=O)NC[C@H](O)C[NH2+]CC(N)=O)CC[N@@H+]1C ZINC001401572735 889161703 /nfs/dbraw/zinc/16/17/03/889161703.db2.gz PUKPTNBGIDTXTG-GARJFASQSA-N 2 0 286.376 -1.731 20 0 CAADRP CN(C)C(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001401574937 889164635 /nfs/dbraw/zinc/16/46/35/889164635.db2.gz FCBVZDSIZNFPPH-GHMZBOCLSA-N 2 0 286.376 -1.907 20 0 CAADRP C[C@H](C[NH2+]CC(=O)NC(N)=O)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001401652664 889174503 /nfs/dbraw/zinc/17/45/03/889174503.db2.gz NQYZNKOTLWIIGP-ZJUUUORDSA-N 2 0 299.375 -1.383 20 0 CAADRP C[C@@H](C[NH2+]CC(N)=O)NC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001401714754 889177456 /nfs/dbraw/zinc/17/74/56/889177456.db2.gz YMBLNLLONCZKHU-JTQLQIEISA-N 2 0 296.375 -1.362 20 0 CAADRP CC(C)[N@H+](C)CC(=O)NCC1([NH2+]CC(=O)NC(N)=O)CC1 ZINC001401985111 889196822 /nfs/dbraw/zinc/19/68/22/889196822.db2.gz IVIHHEBAOAMWHM-UHFFFAOYSA-N 2 0 299.375 -1.240 20 0 CAADRP CCC[N@H+](C)CC(=O)N1CCO[C@H](C[NH2+]CC(N)=O)C1 ZINC001402604235 889253390 /nfs/dbraw/zinc/25/33/90/889253390.db2.gz QAULHEYMNNJUSP-LLVKDONJSA-N 2 0 286.376 -1.370 20 0 CAADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@](CO)([NH2+]CC(N)=O)C1 ZINC001402727065 889258625 /nfs/dbraw/zinc/25/86/25/889258625.db2.gz QZEPPANVFWXINL-SMDDNHRTSA-N 2 0 298.387 -1.491 20 0 CAADRP C[NH+](C)CCCC(=O)N1CC[C@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001403213770 889294837 /nfs/dbraw/zinc/29/48/37/889294837.db2.gz SGUXIRPFUSHNGL-JTQLQIEISA-N 2 0 299.375 -1.286 20 0 CAADRP COC[C@@H](O)C[NH2+][C@@H](CO)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001403693500 889348939 /nfs/dbraw/zinc/34/89/39/889348939.db2.gz ARDDIJXTAAHXEI-GRYCIOLGSA-N 2 0 289.376 -1.845 20 0 CAADRP CNC(=O)C[NH2+][C@@H](CO)CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001403719773 889357039 /nfs/dbraw/zinc/35/70/39/889357039.db2.gz HCVHWIXUWQDHBL-PWSUYJOCSA-N 2 0 288.392 -1.615 20 0 CAADRP C[C@@H]([NH2+][C@@H](CO)CNC(=O)C[NH+]1CCCC1)C(N)=O ZINC001403734136 889360306 /nfs/dbraw/zinc/36/03/06/889360306.db2.gz DDPDVBNQQNDSCL-NXEZZACHSA-N 2 0 272.349 -1.977 20 0 CAADRP C[C@H]([NH2+][C@H](CO)CNC(=O)C[NH+]1CCCC1)C(N)=O ZINC001403734140 889360567 /nfs/dbraw/zinc/36/05/67/889360567.db2.gz DDPDVBNQQNDSCL-UWVGGRQHSA-N 2 0 272.349 -1.977 20 0 CAADRP Cn1cncc1C[NH2+][C@H](CO)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001403747026 889364891 /nfs/dbraw/zinc/36/48/91/889364891.db2.gz NQWUYBNZQPMDJR-RYUDHWBXSA-N 2 0 295.387 -1.062 20 0 CAADRP CN(C[C@H](O)C[NH2+]CC(N)=O)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001403858859 889378446 /nfs/dbraw/zinc/37/84/46/889378446.db2.gz XDECTCNXYLJFPR-GHMZBOCLSA-N 2 0 286.376 -1.635 20 0 CAADRP CN(C[C@@H](O)C[NH2+]CC(N)=O)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001403858869 889381056 /nfs/dbraw/zinc/38/10/56/889381056.db2.gz XDECTCNXYLJFPR-WDEREUQCSA-N 2 0 286.376 -1.635 20 0 CAADRP C[C@@H](O)C[NH2+]C[C@@H](O)CN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001403878946 889384149 /nfs/dbraw/zinc/38/41/49/889384149.db2.gz JFVPCXXDBJLLAN-VXGBXAGGSA-N 2 0 285.388 -1.128 20 0 CAADRP C[C@@H](O)C[NH2+]C[C@H](O)CN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001403878943 889385742 /nfs/dbraw/zinc/38/57/42/889385742.db2.gz JFVPCXXDBJLLAN-NEPJUHHUSA-N 2 0 285.388 -1.128 20 0 CAADRP C[C@H](O)C[NH2+]C[C@H](O)CN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001403878945 889386273 /nfs/dbraw/zinc/38/62/73/889386273.db2.gz JFVPCXXDBJLLAN-RYUDHWBXSA-N 2 0 285.388 -1.128 20 0 CAADRP CC[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]CC(=O)NC(N)=O ZINC001405197899 889432232 /nfs/dbraw/zinc/43/22/32/889432232.db2.gz COFIDNLXXYHKPW-ZJUUUORDSA-N 2 0 299.375 -1.240 20 0 CAADRP CN(C)C(=O)C[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001406200864 889483316 /nfs/dbraw/zinc/48/33/16/889483316.db2.gz CQOARBDSFVBULM-QWRGUYRKSA-N 2 0 286.376 -1.765 20 0 CAADRP C[N@H+](CC(=O)NC[C@@H](O)C[NH2+][C@@H]1CCNC1=O)C1CCC1 ZINC001406246373 889494499 /nfs/dbraw/zinc/49/44/99/889494499.db2.gz PHIFGPXYBKQLRD-NWDGAFQWSA-N 2 0 298.387 -1.574 20 0 CAADRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](O)C[NH2+]CC(=O)NC1CC1 ZINC001406259603 889498604 /nfs/dbraw/zinc/49/86/04/889498604.db2.gz UEWAKWVGFJDEGQ-VXGBXAGGSA-N 2 0 298.387 -1.574 20 0 CAADRP Cn1cc(C[NH2+]C[C@H](O)CNC(=O)[C@H]2CC[N@H+](C)C2)cn1 ZINC001406275527 889507166 /nfs/dbraw/zinc/50/71/66/889507166.db2.gz CGDVUQVGHCGSCZ-STQMWFEESA-N 2 0 295.387 -1.062 20 0 CAADRP C[NH+](C)CCC(=O)NCC1([NH2+]CC(=O)NC(N)=O)CCC1 ZINC001407799782 889590841 /nfs/dbraw/zinc/59/08/41/889590841.db2.gz NDLATCGEXTVQGA-UHFFFAOYSA-N 2 0 299.375 -1.239 20 0 CAADRP C[N@@H+]1CCCC[C@H]1C(=O)N1CCO[C@@H](C[NH2+]CC(N)=O)C1 ZINC001407847605 889591095 /nfs/dbraw/zinc/59/10/95/889591095.db2.gz IEJWELURHQTAQQ-RYUDHWBXSA-N 2 0 298.387 -1.227 20 0 CAADRP NC(=O)C[NH2+]C[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)CCO1 ZINC001407865148 889594912 /nfs/dbraw/zinc/59/49/12/889594912.db2.gz LJGJDAVCPFSJCN-NSHDSACASA-N 2 0 296.371 -1.616 20 0 CAADRP C[C@@H](CN(C)C(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]CC(=O)NC(N)=O ZINC001410356232 889674870 /nfs/dbraw/zinc/67/48/70/889674870.db2.gz YWDLYZPRYDULAO-UWVGGRQHSA-N 2 0 299.375 -1.288 20 0 CAADRP C[C@@H](O)C[NH2+][C@@H](CO)CNC(=O)C[N@H+](C)C1CCC1 ZINC001410646803 889694397 /nfs/dbraw/zinc/69/43/97/889694397.db2.gz DEHFTWRPICUBSO-GHMZBOCLSA-N 2 0 273.377 -1.082 20 0 CAADRP C[C@H](O)C[NH2+][C@H](CO)CNC(=O)C[N@H+](C)C1CCC1 ZINC001410646812 889695960 /nfs/dbraw/zinc/69/59/60/889695960.db2.gz DEHFTWRPICUBSO-QWRGUYRKSA-N 2 0 273.377 -1.082 20 0 CAADRP C[NH+]1CCC(CC(=O)NC[C@H](CO)[NH2+]CC(N)=O)CC1 ZINC001410730443 889708466 /nfs/dbraw/zinc/70/84/66/889708466.db2.gz QKDKQDBSHYFGRQ-LLVKDONJSA-N 2 0 286.376 -1.730 20 0 CAADRP C[NH+]1CCC(CC(=O)NC[C@@H](CO)[NH2+]CC(N)=O)CC1 ZINC001410730449 889709783 /nfs/dbraw/zinc/70/97/83/889709783.db2.gz QKDKQDBSHYFGRQ-NSHDSACASA-N 2 0 286.376 -1.730 20 0 CAADRP CC[N@H+](C)CCC(=O)NC[C@H](CO)[NH2+][C@H]1CCNC1=O ZINC001410768192 889711045 /nfs/dbraw/zinc/71/10/45/889711045.db2.gz HUTSLCHOFIQSQQ-MNOVXSKESA-N 2 0 286.376 -1.717 20 0 CAADRP CC[N@H+](C)CCC(=O)NC[C@H](CO)[NH2+][C@@H]1CCNC1=O ZINC001410768187 889711188 /nfs/dbraw/zinc/71/11/88/889711188.db2.gz HUTSLCHOFIQSQQ-GHMZBOCLSA-N 2 0 286.376 -1.717 20 0 CAADRP CC[N@H+](C)CCC(=O)NC[C@@H](CO)[NH2+][C@@H]1CCNC1=O ZINC001410768235 889713756 /nfs/dbraw/zinc/71/37/56/889713756.db2.gz HUTSLCHOFIQSQQ-WDEREUQCSA-N 2 0 286.376 -1.717 20 0 CAADRP CC[C@@H]([NH2+][C@H](CO)CNC(=O)C[NH+]1CCCC1)C(N)=O ZINC001410792590 889717896 /nfs/dbraw/zinc/71/78/96/889717896.db2.gz TUANWDZTESLKGK-WDEREUQCSA-N 2 0 286.376 -1.587 20 0 CAADRP CC[C@@H]([NH2+][C@@H](CO)CNC(=O)C[NH+]1CCCC1)C(N)=O ZINC001410792582 889718616 /nfs/dbraw/zinc/71/86/16/889718616.db2.gz TUANWDZTESLKGK-GHMZBOCLSA-N 2 0 286.376 -1.587 20 0 CAADRP C[C@@H]1C[C@@H]([NH2+]CC(=O)NC(N)=O)CN1C(=O)CC[NH+](C)C ZINC001410844031 889722235 /nfs/dbraw/zinc/72/22/35/889722235.db2.gz CYZKHMMERGWWGE-NXEZZACHSA-N 2 0 299.375 -1.288 20 0 CAADRP C[NH+]1CCC(NC(=O)C[NH+]2C[C@@H](CO)[C@H](CO)C2)CC1 ZINC001414015908 890039239 /nfs/dbraw/zinc/03/92/39/890039239.db2.gz CDXOLBMHISLXBY-RYUDHWBXSA-N 2 0 285.388 -1.271 20 0 CAADRP Cn1[nH]c(C[NH2+][C@H]2C[C@@H](NC(=O)CC[NH+](C)C)C2)nc1=O ZINC001418105328 890190775 /nfs/dbraw/zinc/19/07/75/890190775.db2.gz QOOSOXKLNUYLDX-AOOOYVTPSA-N 2 0 296.375 -1.203 20 0 CAADRP CC[C@H](C(=O)NC[C@H](C)[NH2+]CC(=O)NC(N)=O)[NH+](C)C ZINC001418234172 890199823 /nfs/dbraw/zinc/19/98/23/890199823.db2.gz GXXLDUMWNFJIOT-DTWKUNHWSA-N 2 0 287.364 -1.384 20 0 CAADRP C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]CC(=O)NC(N)=O ZINC001418320165 890209598 /nfs/dbraw/zinc/20/95/98/890209598.db2.gz VJVOPVLUMFDYNY-DTWKUNHWSA-N 2 0 285.348 -1.773 20 0 CAADRP C[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)C[NH2+]CC(=O)NC(N)=O ZINC001419460006 890328149 /nfs/dbraw/zinc/32/81/49/890328149.db2.gz WLAWBVFENKHQJI-ZJUUUORDSA-N 2 0 299.375 -1.383 20 0 CAADRP 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 890340253 /nfs/dbraw/zinc/34/02/53/890340253.db2.gz HYNLTZIAFGNEFB-POQQGIQPSA-N 2 0 297.399 -1.008 20 0 CAADRP 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 890341914 /nfs/dbraw/zinc/34/19/14/890341914.db2.gz HYNLTZIAFGNEFB-MEBFFEOJSA-N 2 0 297.399 -1.008 20 0 CAADRP CNC(=O)NC(=O)C[NH2+][C@H](C)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001419919129 890363833 /nfs/dbraw/zinc/36/38/33/890363833.db2.gz IASJNSQRZXTOIN-ZJUUUORDSA-N 2 0 299.375 -1.512 20 0 CAADRP CC(C)[N@H+](C)CC(=O)NC[C@H](C)[NH2+]CC(=O)NC(N)=O ZINC001419933027 890366898 /nfs/dbraw/zinc/36/68/98/890366898.db2.gz HXIMDFZIGKJPJD-VIFPVBQESA-N 2 0 287.364 -1.384 20 0 CAADRP C[C@@H]([NH2+][C@H]1CCN(C(=O)CC[NH+](C)C)C1)C(=O)NC(N)=O ZINC001419968889 890367069 /nfs/dbraw/zinc/36/70/69/890367069.db2.gz PRMDQEPSROZPRR-ZJUUUORDSA-N 2 0 299.375 -1.288 20 0 CAADRP C[C@@H](CCNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]CC(=O)NC(N)=O ZINC001420163726 890403002 /nfs/dbraw/zinc/40/30/02/890403002.db2.gz QNLAVPZYZCXSRV-UWVGGRQHSA-N 2 0 299.375 -1.383 20 0 CAADRP C[C@H](O)C[NH2+]C[C@H](O)CNC(=O)C1(C[NH+](C)C)CC1 ZINC001420148495 890403146 /nfs/dbraw/zinc/40/31/46/890403146.db2.gz CAAQHVMFJIEQRG-QWRGUYRKSA-N 2 0 273.377 -1.224 20 0 CAADRP C[C@H](O)C[NH2+]C[C@@H](O)CNC(=O)C1(C[NH+](C)C)CC1 ZINC001420148496 890403447 /nfs/dbraw/zinc/40/34/47/890403447.db2.gz CAAQHVMFJIEQRG-WDEREUQCSA-N 2 0 273.377 -1.224 20 0 CAADRP C[N@@H+]1CC[C@H](C(=O)NC[C@@H](O)C[NH2+]CC(=O)NC2CC2)C1 ZINC001420195981 890409785 /nfs/dbraw/zinc/40/97/85/890409785.db2.gz ZGKBOFHEWQKFGY-JQWIXIFHSA-N 2 0 298.387 -1.717 20 0 CAADRP CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)C[NH+]1CCCC1 ZINC001420195609 890409937 /nfs/dbraw/zinc/40/99/37/890409937.db2.gz YSYBNSJYPBJCNL-NSHDSACASA-N 2 0 286.376 -1.715 20 0 CAADRP CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)C[NH+]1CCCC1 ZINC001420195607 890410238 /nfs/dbraw/zinc/41/02/38/890410238.db2.gz YSYBNSJYPBJCNL-LLVKDONJSA-N 2 0 286.376 -1.715 20 0 CAADRP CNC(=O)[C@H](C)[NH2+]C[C@H](O)CNC(=O)C[N@H+](C)C(C)C ZINC001420215383 890418365 /nfs/dbraw/zinc/41/83/65/890418365.db2.gz ORISDOCPVLNYJF-QWRGUYRKSA-N 2 0 288.392 -1.472 20 0 CAADRP CC(C)[N@H+](C)CC(=O)NC[C@H](O)C[NH2+]Cc1cnnn1C ZINC001420212608 890418382 /nfs/dbraw/zinc/41/83/82/890418382.db2.gz LBBNQWUQPQBNRP-GFCCVEGCSA-N 2 0 298.391 -1.278 20 0 CAADRP CC[C@H](C(=O)N[C@H](C)C[NH2+]CC(=O)NC(N)=O)[NH+](C)C ZINC001420304753 890430059 /nfs/dbraw/zinc/43/00/59/890430059.db2.gz BWHRBGMWABZVCI-RKDXNWHRSA-N 2 0 287.364 -1.384 20 0 CAADRP C[C@H](C[NH2+]CC(=O)NC(N)=O)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001420371641 890436435 /nfs/dbraw/zinc/43/64/35/890436435.db2.gz NNTQZDJXURMTQP-RKDXNWHRSA-N 2 0 285.348 -1.773 20 0 CAADRP C[C@H](C[NH2+]CC(=O)NC(N)=O)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001420371637 890437246 /nfs/dbraw/zinc/43/72/46/890437246.db2.gz NNTQZDJXURMTQP-BDAKNGLRSA-N 2 0 285.348 -1.773 20 0 CAADRP C[C@@H](C[NH2+]CC(=O)NC(N)=O)NC(=O)C[NH+]1CCCC1 ZINC001420511175 890447365 /nfs/dbraw/zinc/44/73/65/890447365.db2.gz SEAXWPVNYAHSEN-VIFPVBQESA-N 2 0 285.348 -1.629 20 0 CAADRP COC[C@@H](O)C[NH+]1CC(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001421184503 890492029 /nfs/dbraw/zinc/49/20/29/890492029.db2.gz COFLHCHGJWJNFD-STQMWFEESA-N 2 0 285.388 -1.007 20 0 CAADRP C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](O)C[NH2+]CC(=O)N1CCC1 ZINC001422271386 890561001 /nfs/dbraw/zinc/56/10/01/890561001.db2.gz ZSLIYUAZSJZPER-RYUDHWBXSA-N 2 0 298.387 -1.620 20 0 CAADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](O)C[NH2+]CC(N)=O ZINC001422319507 890577563 /nfs/dbraw/zinc/57/75/63/890577563.db2.gz LACYHIBNIFZZPC-GHMZBOCLSA-N 2 0 286.376 -1.587 20 0 CAADRP Cn1cncc1C[NH2+]C[C@H](O)CNC(=O)CC[NH+](C)C ZINC001422348963 890580310 /nfs/dbraw/zinc/58/03/10/890580310.db2.gz PXELQVTYRGJZLJ-LBPRGKRZSA-N 2 0 283.376 -1.062 20 0 CAADRP C[N@@H+]1CC[C@H](CC(=O)NC[C@@H](O)C[NH2+]CC(N)=O)C1 ZINC001422400882 890586817 /nfs/dbraw/zinc/58/68/17/890586817.db2.gz PSZACIDSZALDSO-ZJUUUORDSA-N 2 0 272.349 -2.120 20 0 CAADRP CN1CC[C@@H]([NH2+]C[C@@H](O)CNC(=O)C[NH+]2CCCC2)C1=O ZINC001422399355 890587223 /nfs/dbraw/zinc/58/72/23/890587223.db2.gz BAQWBPZLMKARHO-VXGBXAGGSA-N 2 0 298.387 -1.620 20 0 CAADRP CN1CC[C@H]([NH2+]C[C@@H](O)CNC(=O)C[NH+]2CCCC2)C1=O ZINC001422399350 890587443 /nfs/dbraw/zinc/58/74/43/890587443.db2.gz BAQWBPZLMKARHO-NEPJUHHUSA-N 2 0 298.387 -1.620 20 0 CAADRP NC(=O)C[NH2+][C@H](CO)CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001423217719 890645415 /nfs/dbraw/zinc/64/54/15/890645415.db2.gz KMFQBLPNKAAKQT-QWRGUYRKSA-N 2 0 284.360 -2.120 20 0 CAADRP NC(=O)C[NH2+][C@@H](CO)CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001423217715 890646045 /nfs/dbraw/zinc/64/60/45/890646045.db2.gz KMFQBLPNKAAKQT-GHMZBOCLSA-N 2 0 284.360 -2.120 20 0 CAADRP C[NH+](C)C1(C(=O)NC[C@H](CO)[NH2+]CC(N)=O)CCC1 ZINC001423229536 890648440 /nfs/dbraw/zinc/64/84/40/890648440.db2.gz HWJRDRYEVRBUJU-SECBINFHSA-N 2 0 272.349 -1.977 20 0 CAADRP C[NH+](C)C1(C(=O)NC[C@@H](CO)[NH2+]CC(N)=O)CCC1 ZINC001423229543 890649368 /nfs/dbraw/zinc/64/93/68/890649368.db2.gz HWJRDRYEVRBUJU-VIFPVBQESA-N 2 0 272.349 -1.977 20 0 CAADRP CC[C@@H](C(=O)NC[C@@H](CO)[NH2+]CC(=O)N(C)C)[NH+](C)C ZINC001423255423 890654497 /nfs/dbraw/zinc/65/44/97/890654497.db2.gz AWCRGKUAKYJQFD-QWRGUYRKSA-N 2 0 288.392 -1.519 20 0 CAADRP C[C@H](O)C[NH2+][C@@H](CO)CNC(=O)C1CC[NH+](C)CC1 ZINC001423255913 890654791 /nfs/dbraw/zinc/65/47/91/890654791.db2.gz CVBIHXUIAGIIRK-CMPLNLGQSA-N 2 0 273.377 -1.224 20 0 CAADRP CNC(=O)C[NH2+][C@H](CO)CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001423297327 890663432 /nfs/dbraw/zinc/66/34/32/890663432.db2.gz OZVDPGHITSKJEP-MNOVXSKESA-N 2 0 286.376 -1.859 20 0 CAADRP CNC(=O)C[NH2+][C@@H](CO)CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001423297329 890663702 /nfs/dbraw/zinc/66/37/02/890663702.db2.gz OZVDPGHITSKJEP-WDEREUQCSA-N 2 0 286.376 -1.859 20 0 CAADRP CNC(=O)C[NH2+][C@H](CO)CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001423297328 890663851 /nfs/dbraw/zinc/66/38/51/890663851.db2.gz OZVDPGHITSKJEP-QWRGUYRKSA-N 2 0 286.376 -1.859 20 0 CAADRP O=C(C[NH+]1CCCC1)NC[C@@H](CO)[NH2+]CCn1cncn1 ZINC001423303769 890664513 /nfs/dbraw/zinc/66/45/13/890664513.db2.gz ONSQQNFXKYUGBH-LBPRGKRZSA-N 2 0 296.375 -1.559 20 0 CAADRP NC(=O)NC(=O)C[NH2+]C1(CNC(=O)C[NH+]2CCCC2)CC1 ZINC001423304255 890664794 /nfs/dbraw/zinc/66/47/94/890664794.db2.gz TYPQORDHEPXIAH-UHFFFAOYSA-N 2 0 297.359 -1.485 20 0 CAADRP NC(=O)C[NH2+][C@@H](CO)CNC(=O)CC[NH+]1CCCCC1 ZINC001423298180 890665477 /nfs/dbraw/zinc/66/54/77/890665477.db2.gz FYLJXPGUDXSCOV-LLVKDONJSA-N 2 0 286.376 -1.586 20 0 CAADRP C[NH+]1CCC(C(=O)NC[C@@]2(O)CC[N@H+](CCO)C2)CC1 ZINC001423802659 890697731 /nfs/dbraw/zinc/69/77/31/890697731.db2.gz PQEFQCOIWHCPLW-AWEZNQCLSA-N 2 0 285.388 -1.127 20 0 CAADRP C[NH+]1CCC(C(=O)NC[C@]2(O)CC[N@H+](CCO)C2)CC1 ZINC001423802661 890698653 /nfs/dbraw/zinc/69/86/53/890698653.db2.gz PQEFQCOIWHCPLW-CQSZACIVSA-N 2 0 285.388 -1.127 20 0 CAADRP C[NH+](C)CCC(=O)N1CCO[C@@H](C[NH2+]CC(N)=O)C1 ZINC001424227795 890727361 /nfs/dbraw/zinc/72/73/61/890727361.db2.gz JBZRDZGHKITIDB-JTQLQIEISA-N 2 0 272.349 -1.760 20 0 CAADRP C[N@@H+]1CC[C@@H](C(=O)NC2(C[NH2+]CC(N)=O)CCOCC2)C1 ZINC001424440283 890733391 /nfs/dbraw/zinc/73/33/91/890733391.db2.gz RSVNHFPLIPQKIP-LLVKDONJSA-N 2 0 298.387 -1.322 20 0 CAADRP C[N@H+](CC(=O)NC[C@H](CO)[NH2+]CC(N)=O)C1CCC1 ZINC001425756347 890814870 /nfs/dbraw/zinc/81/48/70/890814870.db2.gz WSOVVJSALLNTLJ-SECBINFHSA-N 2 0 272.349 -1.977 20 0 CAADRP C[NH+](C)CC1(C(=O)NC[C@@H](CO)[NH2+][C@@H]2CCNC2=O)CC1 ZINC001425789059 890817191 /nfs/dbraw/zinc/81/71/91/890817191.db2.gz AMEVAZBYZLTZJE-WDEREUQCSA-N 2 0 298.387 -1.717 20 0 CAADRP C[C@@H]([NH2+][C@H](CO)CNC(=O)CC[NH+](C)C)C(=O)N(C)C ZINC001425813711 890824010 /nfs/dbraw/zinc/82/40/10/890824010.db2.gz ZYBVFOVCGUHGHK-MNOVXSKESA-N 2 0 288.392 -1.519 20 0 CAADRP C[C@@H]([NH2+][C@@H](CO)CNC(=O)CC[NH+](C)C)C(=O)N(C)C ZINC001425813710 890824300 /nfs/dbraw/zinc/82/43/00/890824300.db2.gz ZYBVFOVCGUHGHK-GHMZBOCLSA-N 2 0 288.392 -1.519 20 0 CAADRP Cn1cc(C[NH2+][C@H](CO)CNC(=O)CC[NH+](C)C)cn1 ZINC001425812269 890824857 /nfs/dbraw/zinc/82/48/57/890824857.db2.gz WQCXAKYTZZMYQU-LBPRGKRZSA-N 2 0 283.376 -1.062 20 0 CAADRP Cn1cc(C[NH2+][C@@H](CO)CNC(=O)CC[NH+](C)C)cn1 ZINC001425812268 890826242 /nfs/dbraw/zinc/82/62/42/890826242.db2.gz WQCXAKYTZZMYQU-GFCCVEGCSA-N 2 0 283.376 -1.062 20 0 CAADRP C[C@H](O)C[NH2+][C@H](CO)CNC(=O)C12CC[NH+](CC1)C2 ZINC001425830035 890829369 /nfs/dbraw/zinc/82/93/69/890829369.db2.gz IBMYKPOPWSFVJV-QWRGUYRKSA-N 2 0 271.361 -1.470 20 0 CAADRP C[C@H](CNC(=O)CCC[NH+](C)C)[NH2+]CC(=O)NC(N)=O ZINC001437200137 891167631 /nfs/dbraw/zinc/16/76/31/891167631.db2.gz WLUKZRNHGXGFTR-SECBINFHSA-N 2 0 287.364 -1.383 20 0 CAADRP C[N@@H+]1CCC[C@H]1C(=O)NC[C@H](O)C[NH2+]CC(=O)NC1CC1 ZINC001438986948 891256242 /nfs/dbraw/zinc/25/62/42/891256242.db2.gz UEWAKWVGFJDEGQ-NEPJUHHUSA-N 2 0 298.387 -1.574 20 0 CAADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](O)C[NH2+]CC(N)=O ZINC001438996510 891260602 /nfs/dbraw/zinc/26/06/02/891260602.db2.gz PNVPDSOQRMEJBK-GHMZBOCLSA-N 2 0 286.376 -1.589 20 0 CAADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](O)C[NH2+]CC(N)=O ZINC001438996518 891260660 /nfs/dbraw/zinc/26/06/60/891260660.db2.gz PNVPDSOQRMEJBK-WDEREUQCSA-N 2 0 286.376 -1.589 20 0 CAADRP CC[C@H](C(=O)NC[C@H](O)C[NH2+]CC(=O)N(C)C)[NH+](C)C ZINC001438997769 891261380 /nfs/dbraw/zinc/26/13/80/891261380.db2.gz IDRPKWVKHYNKNR-GHMZBOCLSA-N 2 0 288.392 -1.519 20 0 CAADRP C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H](O)C[NH2+]CC(N)=O ZINC001438997945 891261717 /nfs/dbraw/zinc/26/17/17/891261717.db2.gz IJQVWIYBPGQZNY-NXEZZACHSA-N 2 0 272.349 -1.977 20 0 CAADRP CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001439019432 891264679 /nfs/dbraw/zinc/26/46/79/891264679.db2.gz XHAZRBPGXNLIOP-WDEREUQCSA-N 2 0 286.376 -1.717 20 0 CAADRP O=C(C[NH+]1CCCC1)NC[C@H](O)C[NH2+][C@@H]1CCCNC1=O ZINC001439060118 891276907 /nfs/dbraw/zinc/27/69/07/891276907.db2.gz RQHAKMSIUJKKLW-VXGBXAGGSA-N 2 0 298.387 -1.573 20 0 CAADRP CC(C)[N@H+](C)CC(=O)NC[C@H](O)C[NH2+][C@H](C)C(N)=O ZINC001439060547 891277119 /nfs/dbraw/zinc/27/71/19/891277119.db2.gz UZPGNIYJMMLCTR-NXEZZACHSA-N 2 0 274.365 -1.733 20 0 CAADRP O=C(C[NH+]1CCCC1)NC[C@H](O)C[NH2+][C@H]1CCCNC1=O ZINC001439060096 891280852 /nfs/dbraw/zinc/28/08/52/891280852.db2.gz RQHAKMSIUJKKLW-NEPJUHHUSA-N 2 0 298.387 -1.573 20 0 CAADRP O=C(C[NH+]1CCCC1)NC[C@@H](O)C[NH2+][C@H]1CCCNC1=O ZINC001439060109 891280965 /nfs/dbraw/zinc/28/09/65/891280965.db2.gz RQHAKMSIUJKKLW-RYUDHWBXSA-N 2 0 298.387 -1.573 20 0 CAADRP C[C@H](C[NH2+]CC(=O)NC(N)=O)NC(=O)C12CC[NH+](CC1)C2 ZINC001439167509 891288125 /nfs/dbraw/zinc/28/81/25/891288125.db2.gz NKANZSWPMNKXOA-SECBINFHSA-N 2 0 297.359 -1.629 20 0 CAADRP CC[C@@H](C(=O)NCC1([NH2+]CC(=O)NC(N)=O)CC1)[NH+](C)C ZINC001439667088 891318336 /nfs/dbraw/zinc/31/83/36/891318336.db2.gz MHRSGNHYLOCJQH-VIFPVBQESA-N 2 0 299.375 -1.240 20 0 CAADRP C[NH+](C)CCC(=O)NC[C@@]1(O)CC[N@H+](CCCO)C1 ZINC001440009426 891344315 /nfs/dbraw/zinc/34/43/15/891344315.db2.gz KZKBTLCSMCKDMT-ZDUSSCGKSA-N 2 0 273.377 -1.127 20 0 CAADRP C[N@@H+]1CC[C@H](C(=O)N[C@]2(CO)CCC[NH+](CCO)C2)C1 ZINC001440186134 891356169 /nfs/dbraw/zinc/35/61/69/891356169.db2.gz BBHNQSQBURLUQG-GXTWGEPZSA-N 2 0 285.388 -1.127 20 0 CAADRP CNC(=O)C[NH2+]C[C@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)CCO1 ZINC001440375742 891370029 /nfs/dbraw/zinc/37/00/29/891370029.db2.gz MSFYEIBYPNYQSP-NWDGAFQWSA-N 2 0 298.387 -1.356 20 0 CAADRP C[N@@H+]1CC[C@H](C(=O)N2CCC[C@@](CO)([NH2+]CC(N)=O)C2)C1 ZINC001440554598 891375351 /nfs/dbraw/zinc/37/53/51/891375351.db2.gz NEEMZRKFAJMHDR-SMDDNHRTSA-N 2 0 298.387 -1.634 20 0 CAADRP Cn1[nH]c(C[NH2+][C@H]2C[C@H](NC(=O)CC[NH+](C)C)C2)nc1=O ZINC001441421637 891414431 /nfs/dbraw/zinc/41/44/31/891414431.db2.gz QOOSOXKLNUYLDX-MGCOHNPYSA-N 2 0 296.375 -1.203 20 0 CAADRP C[C@H]([NH2+][C@H]1C[C@@H](NC(=O)CC[NH+](C)C)C1)C(=O)NC(N)=O ZINC001441508490 891416256 /nfs/dbraw/zinc/41/62/56/891416256.db2.gz UXOHRLFFHJNDSM-LPEHRKFASA-N 2 0 299.375 -1.242 20 0 CAADRP C[C@@H](CN(C)C(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]CC(=O)NC(N)=O ZINC001441661075 891422785 /nfs/dbraw/zinc/42/27/85/891422785.db2.gz SKCKUPYARDICSN-VHSXEESVSA-N 2 0 299.375 -1.431 20 0 CAADRP C[N@@H+]1CCC[C@H]1C(=O)NC[C@H](CO)[NH2+]CCn1cncn1 ZINC001441677551 891427669 /nfs/dbraw/zinc/42/76/69/891427669.db2.gz FNZSMTPKUPRXEO-NEPJUHHUSA-N 2 0 296.375 -1.561 20 0 CAADRP Cn1cncc1C[NH2+][C@H](CO)CNC(=O)CC[NH+](C)C ZINC001441746766 891444199 /nfs/dbraw/zinc/44/41/99/891444199.db2.gz POASSMIWQOYJDI-NSHDSACASA-N 2 0 283.376 -1.062 20 0 CAADRP CC[C@H]([NH2+][C@@H](CO)CNC(=O)C12CC[NH+](CC1)C2)C(N)=O ZINC001441797800 891454878 /nfs/dbraw/zinc/45/48/78/891454878.db2.gz WWRKSZKCWCIPSX-MNOVXSKESA-N 2 0 298.387 -1.587 20 0 CAADRP C[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]CC(=O)NC(N)=O ZINC001441795614 891455426 /nfs/dbraw/zinc/45/54/26/891455426.db2.gz XAPDEZQJJBADRO-BDAKNGLRSA-N 2 0 285.348 -1.630 20 0 CAADRP C[C@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)[NH2+]CC(=O)NC(N)=O ZINC001441852721 891459097 /nfs/dbraw/zinc/45/90/97/891459097.db2.gz LYDWDBTYLPDQTI-NXEZZACHSA-N 2 0 299.375 -1.240 20 0 CAADRP C[C@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)[NH2+]CC(=O)NC(N)=O ZINC001441942480 891465109 /nfs/dbraw/zinc/46/51/09/891465109.db2.gz CJUROZJICNZOMF-NXEZZACHSA-N 2 0 299.375 -1.383 20 0 CAADRP C[C@@H](CNC(=O)C1CC[NH+](C)CC1)[NH2+]CC(=O)NC(N)=O ZINC001441941882 891465883 /nfs/dbraw/zinc/46/58/83/891465883.db2.gz QPUGJBWACLLEJE-VIFPVBQESA-N 2 0 299.375 -1.383 20 0 CAADRP CC[N@H+](C)CCC(=O)NC[C@@H](C)[NH2+]CC(=O)NC(N)=O ZINC001442010159 891475376 /nfs/dbraw/zinc/47/53/76/891475376.db2.gz PKYHQOPUNGOUOQ-SECBINFHSA-N 2 0 287.364 -1.383 20 0 CAADRP CC[C@@H](C(=O)N(C)C[C@H](O)C[NH2+]CC(N)=O)[NH+](C)C ZINC001442039050 891475431 /nfs/dbraw/zinc/47/54/31/891475431.db2.gz LEGZUMMJXMSGAI-ZJUUUORDSA-N 2 0 274.365 -1.779 20 0 CAADRP CCC[N@H+](C)CC(=O)NC[C@@H](C)[NH2+]CC(=O)NC(N)=O ZINC001442008605 891475437 /nfs/dbraw/zinc/47/54/37/891475437.db2.gz FFUAFCLZEUYFNK-SECBINFHSA-N 2 0 287.364 -1.383 20 0 CAADRP CC[C@@H](C(=O)N(C)C[C@@H](O)C[NH2+]CC(N)=O)[NH+](C)C ZINC001442039036 891477308 /nfs/dbraw/zinc/47/73/08/891477308.db2.gz LEGZUMMJXMSGAI-UWVGGRQHSA-N 2 0 274.365 -1.779 20 0 CAADRP CNC(=O)NC(=O)C[NH2+][C@H](C)CNC(=O)C[NH+]1CCCC1 ZINC001442054600 891478610 /nfs/dbraw/zinc/47/86/10/891478610.db2.gz SDFUMESJGPBWGG-SNVBAGLBSA-N 2 0 299.375 -1.368 20 0 CAADRP COC[C@H](O)C[NH+]1CC(CNC(=O)CC[NH+](C)C)C1 ZINC001443611171 891533661 /nfs/dbraw/zinc/53/36/61/891533661.db2.gz WLZBTZSUNHSDFP-GFCCVEGCSA-N 2 0 273.377 -1.007 20 0 CAADRP CC[C@H](C(=O)NC[C@H](O)C[NH2+]Cc1cnnn1C)[NH+](C)C ZINC001445194882 891617099 /nfs/dbraw/zinc/61/70/99/891617099.db2.gz AHBFWWCEVMRGGD-VXGBXAGGSA-N 2 0 298.391 -1.278 20 0 CAADRP C[NH+](C)CCC(=O)NC[C@@H](O)C[NH2+][C@H]1CCCNC1=O ZINC001445225003 891621437 /nfs/dbraw/zinc/62/14/37/891621437.db2.gz LWQLKSNZKLJYEO-QWRGUYRKSA-N 2 0 286.376 -1.717 20 0 CAADRP C[C@H](C[NH2+]CC(N)=O)NC(=O)COC1CC[NH+](C)CC1 ZINC001445475699 891636453 /nfs/dbraw/zinc/63/64/53/891636453.db2.gz JKLOPQBKVDJAKF-SNVBAGLBSA-N 2 0 286.376 -1.323 20 0 CAADRP C[C@@H](C[NH2+]CC(=O)NC(N)=O)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001445532497 891643016 /nfs/dbraw/zinc/64/30/16/891643016.db2.gz QLUXDXXYSKWPHO-IUCAKERBSA-N 2 0 285.348 -1.630 20 0 CAADRP C[N@@H+]1CCC[C@@H]1CCC(=O)NC[C@@H](CO)[NH2+]CC(N)=O ZINC001448860875 891796013 /nfs/dbraw/zinc/79/60/13/891796013.db2.gz FAQNBYAZXZSQGM-WDEREUQCSA-N 2 0 286.376 -1.587 20 0 CAADRP C[N@@H+]1CCC[C@H]1CCC(=O)NC[C@@H](CO)[NH2+]CCO ZINC001448871824 891798021 /nfs/dbraw/zinc/79/80/21/891798021.db2.gz WPLCTNGXEMADHK-RYUDHWBXSA-N 2 0 273.377 -1.080 20 0 CAADRP C[N@@H+]1CCC[C@@H]1CCC(=O)NC[C@@H](CO)[NH2+]CCO ZINC001448871819 891798666 /nfs/dbraw/zinc/79/86/66/891798666.db2.gz WPLCTNGXEMADHK-NWDGAFQWSA-N 2 0 273.377 -1.080 20 0 CAADRP C[NH+]1CCC(C(=O)NC[C@H](CO)[NH2+][C@H]2CCNC2=O)CC1 ZINC001448887886 891803435 /nfs/dbraw/zinc/80/34/35/891803435.db2.gz LGXSFNAUDWJIHJ-NEPJUHHUSA-N 2 0 298.387 -1.717 20 0 CAADRP C[C@@H]([NH2+][C@H](CO)CNC(=O)C1CC[NH+](C)CC1)C(N)=O ZINC001448887761 891804410 /nfs/dbraw/zinc/80/44/10/891804410.db2.gz KVUQBVLSJXNQTO-KOLCDFICSA-N 2 0 286.376 -1.731 20 0 CAADRP C[C@H]([NH2+][C@H](CO)CNC(=O)C1CC[NH+](C)CC1)C(N)=O ZINC001448887767 891804231 /nfs/dbraw/zinc/80/42/31/891804231.db2.gz KVUQBVLSJXNQTO-ONGXEEELSA-N 2 0 286.376 -1.731 20 0 CAADRP C[C@H]([NH2+][C@H](CO)CNC(=O)C1(C[NH+](C)C)CC1)C(N)=O ZINC001448894834 891808207 /nfs/dbraw/zinc/80/82/07/891808207.db2.gz LNGINWVXFBJWMW-UWVGGRQHSA-N 2 0 286.376 -1.731 20 0 CAADRP CC1CC[NH+](CC(=O)NC[C@@H](CO)[NH2+]CCO)CC1 ZINC001448919198 891812762 /nfs/dbraw/zinc/81/27/62/891812762.db2.gz IZODMUOUEQKCMK-LBPRGKRZSA-N 2 0 273.377 -1.223 20 0 CAADRP C[N@@H+]1CC[C@@H](C(=O)NC[C@H](CO)[NH2+]CCn2cccn2)C1 ZINC001448949467 891814600 /nfs/dbraw/zinc/81/46/00/891814600.db2.gz GBDQIIAOUDBCOP-CHWSQXEVSA-N 2 0 295.387 -1.099 20 0 CAADRP CN(C)C(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)CC[NH+](C)C ZINC001449141810 891831621 /nfs/dbraw/zinc/83/16/21/891831621.db2.gz ACAANIAHGPRRDZ-LLVKDONJSA-N 2 0 288.392 -1.565 20 0 CAADRP CN(C)C(=O)C[NH2+]C[C@H](O)CN(C)C(=O)CC[NH+](C)C ZINC001449141815 891833830 /nfs/dbraw/zinc/83/38/30/891833830.db2.gz ACAANIAHGPRRDZ-NSHDSACASA-N 2 0 288.392 -1.565 20 0 CAADRP C[C@H]1CC[N@H+](CC(=O)N(C)C[C@H](O)C[NH2+]CC(N)=O)C1 ZINC001449163377 891835979 /nfs/dbraw/zinc/83/59/79/891835979.db2.gz UNHZZTSHSDRMSW-WDEREUQCSA-N 2 0 286.376 -1.778 20 0 CAADRP CNC(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)C[NH+]1CCCC1 ZINC001449190603 891836266 /nfs/dbraw/zinc/83/62/66/891836266.db2.gz OFURVMFOMBGJSA-LLVKDONJSA-N 2 0 286.376 -1.763 20 0 CAADRP CN(C[C@H](O)C[NH2+]CC(N)=O)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001449166356 891839521 /nfs/dbraw/zinc/83/95/21/891839521.db2.gz WCWMZJUKUBBQBJ-GHMZBOCLSA-N 2 0 286.376 -1.778 20 0 CAADRP CN(C[C@H](O)C[N@H+](C)CCO)C(=O)[C@H]1CC[NH+](C)C1 ZINC001449249315 891841430 /nfs/dbraw/zinc/84/14/30/891841430.db2.gz UUOPROBAVZCHFP-NWDGAFQWSA-N 2 0 273.377 -1.319 20 0 CAADRP CN(C[C@@H](O)C[N@H+](C)CCO)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001449249310 891844144 /nfs/dbraw/zinc/84/41/44/891844144.db2.gz UUOPROBAVZCHFP-NEPJUHHUSA-N 2 0 273.377 -1.319 20 0 CAADRP CC(C)[N@H+](C)CC(=O)N(C)C[C@H](O)C[NH2+][C@@H](C)C(N)=O ZINC001449201961 891845618 /nfs/dbraw/zinc/84/56/18/891845618.db2.gz ZMOMGBLWKXTBFE-WDEREUQCSA-N 2 0 288.392 -1.391 20 0 CAADRP O=C(NCC[NH+]1CCC(O)CC1)[C@H]1C[N@@H+]2CCN1CCC2 ZINC001472563005 892403110 /nfs/dbraw/zinc/40/31/10/892403110.db2.gz AOQFUKYPOZCXJL-CQSZACIVSA-N 2 0 296.415 -1.051 20 0 CAADRP C[C@@H](CNC(=O)c1ccn(CC[NH+](C)C)n1)[NH2+]CC(N)=O ZINC001480463782 892521873 /nfs/dbraw/zinc/52/18/73/892521873.db2.gz ZATGFXXVAWMWCR-JTQLQIEISA-N 2 0 296.375 -1.362 20 0 CAADRP C[C@H]([NH2+]CCN(C)C(=O)CC[NH+](C)C)C(=O)NC(N)=O ZINC001481276745 892594321 /nfs/dbraw/zinc/59/43/21/892594321.db2.gz FQQKXGOWQCUYAE-VIFPVBQESA-N 2 0 287.364 -1.431 20 0 CAADRP CN(CC[NH2+]CC(=O)NC(N)=O)C(=O)C1(C[NH+](C)C)CC1 ZINC001481272959 892595371 /nfs/dbraw/zinc/59/53/71/892595371.db2.gz MRCUCXKCGFOLNT-UHFFFAOYSA-N 2 0 299.375 -1.429 20 0 CAADRP C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](O)C[NH2+]CC(N)=O ZINC001482715696 892671777 /nfs/dbraw/zinc/67/17/77/892671777.db2.gz ILDKKCROPDDYMQ-IUCAKERBSA-N 2 0 258.322 -2.367 20 0 CAADRP C[C@H](O)C[NH2+]C[C@H](O)CNC(=O)C[N@H+](C)C1CCC1 ZINC001482737489 892679276 /nfs/dbraw/zinc/67/92/76/892679276.db2.gz NTNCEWPJMZAWDT-JQWIXIFHSA-N 2 0 273.377 -1.082 20 0 CAADRP C[NH+](C)C1(C(=O)NC[C@@H](O)C[NH2+][C@H]2CCNC2=O)CCC1 ZINC001482737516 892682052 /nfs/dbraw/zinc/68/20/52/892682052.db2.gz ODOOXOMZYKSLRM-QWRGUYRKSA-N 2 0 298.387 -1.574 20 0 CAADRP C[NH+](C)C1(C(=O)NC[C@H](O)C[NH2+][C@@H]2CCNC2=O)CCC1 ZINC001482737514 892682225 /nfs/dbraw/zinc/68/22/25/892682225.db2.gz ODOOXOMZYKSLRM-GHMZBOCLSA-N 2 0 298.387 -1.574 20 0 CAADRP C[NH+](C)C1(C(=O)NC[C@H](O)C[NH2+][C@H]2CCNC2=O)CCC1 ZINC001482737515 892682324 /nfs/dbraw/zinc/68/23/24/892682324.db2.gz ODOOXOMZYKSLRM-MNOVXSKESA-N 2 0 298.387 -1.574 20 0 CAADRP C[NH+](C)C1(C(=O)NC[C@@H](O)C[NH2+][C@@H]2CCNC2=O)CCC1 ZINC001482737517 892683644 /nfs/dbraw/zinc/68/36/44/892683644.db2.gz ODOOXOMZYKSLRM-WDEREUQCSA-N 2 0 298.387 -1.574 20 0 CAADRP C[NH+](C)CC1(C(=O)NC[C@@H](O)C[NH2+][C@H]2CCNC2=O)CC1 ZINC001482763502 892691499 /nfs/dbraw/zinc/69/14/99/892691499.db2.gz VOKYZWOHXGRVQA-QWRGUYRKSA-N 2 0 298.387 -1.717 20 0 CAADRP CNC(=O)[C@@H](C)[NH2+]C[C@H](O)CNC(=O)CC[NH+](C)C ZINC001482764071 892691916 /nfs/dbraw/zinc/69/19/16/892691916.db2.gz IZJGBNDTNGKCCE-ZJUUUORDSA-N 2 0 274.365 -1.861 20 0 CAADRP CNC(=O)C[NH2+]C[C@@H](O)CNC(=O)CC[NH+](C)C ZINC001482764262 892692142 /nfs/dbraw/zinc/69/21/42/892692142.db2.gz MPINYFBZGYPLPF-SECBINFHSA-N 2 0 260.338 -2.249 20 0 CAADRP CNC(=O)[C@H](C)[NH2+]C[C@@H](O)CNC(=O)CC[NH+](C)C ZINC001482764070 892692418 /nfs/dbraw/zinc/69/24/18/892692418.db2.gz IZJGBNDTNGKCCE-VHSXEESVSA-N 2 0 274.365 -1.861 20 0 CAADRP C[NH+]1CCC(C(=O)NC[C@@H](O)C[NH2+]CC(N)=O)CC1 ZINC001482768576 892694281 /nfs/dbraw/zinc/69/42/81/892694281.db2.gz ZFFDJZRWGMHTQZ-JTQLQIEISA-N 2 0 272.349 -2.120 20 0 CAADRP CNC(=O)C[NH2+]C[C@@H](O)CNC(=O)C1CC[NH+](C)CC1 ZINC001482767510 892696012 /nfs/dbraw/zinc/69/60/12/892696012.db2.gz RXMKFJDBNXRRPC-LLVKDONJSA-N 2 0 286.376 -1.859 20 0 CAADRP CNC(=O)C[NH2+]C[C@@H](O)CNC(=O)C12CC[NH+](CC1)C2 ZINC001482785694 892700686 /nfs/dbraw/zinc/70/06/86/892700686.db2.gz LZEWQINNWNREAO-SNVBAGLBSA-N 2 0 284.360 -2.105 20 0 CAADRP CC[C@H]([NH2+]C[C@H](O)CNC(=O)C12CC[NH+](CC1)C2)C(N)=O ZINC001482786562 892700701 /nfs/dbraw/zinc/70/07/01/892700701.db2.gz TVWOJTLITJOOKX-QWRGUYRKSA-N 2 0 298.387 -1.587 20 0 CAADRP CNC(=O)C[NH2+]C[C@H](O)CNC(=O)C12CC[NH+](CC1)C2 ZINC001482785692 892702710 /nfs/dbraw/zinc/70/27/10/892702710.db2.gz LZEWQINNWNREAO-JTQLQIEISA-N 2 0 284.360 -2.105 20 0 CAADRP CNC(=O)C[NH2+]C[C@H](O)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001482791141 892705743 /nfs/dbraw/zinc/70/57/43/892705743.db2.gz QEDNKTPPSUMHGG-UWVGGRQHSA-N 2 0 272.349 -2.249 20 0 CAADRP C[C@H](C[NH+]1CCOCC1)C(=O)NC[C@H](O)C[NH2+]CCF ZINC001482794753 892708923 /nfs/dbraw/zinc/70/89/23/892708923.db2.gz ZNXRXLWEYDLZSC-VXGBXAGGSA-N 2 0 291.367 -1.009 20 0 CAADRP C[C@H](C[NH+]1CCOCC1)C(=O)NC[C@@H](O)C[NH2+]CCF ZINC001482794750 892710014 /nfs/dbraw/zinc/71/00/14/892710014.db2.gz ZNXRXLWEYDLZSC-NEPJUHHUSA-N 2 0 291.367 -1.009 20 0 CAADRP C[C@@H](C[NH2+]CC(=O)NC(N)=O)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001483266417 892750755 /nfs/dbraw/zinc/75/07/55/892750755.db2.gz LNHMGCZUZQUMIT-UWVGGRQHSA-N 2 0 299.375 -1.383 20 0 CAADRP C[N@@H+]1CCC[C@H]1C(=O)N(CCO)CC[NH2+]CCO ZINC001484478331 892863229 /nfs/dbraw/zinc/86/32/29/892863229.db2.gz MWSOGJLVCWARGU-NSHDSACASA-N 2 0 259.350 -1.517 20 0 CAADRP O=C(C[NH+]1CCCC1)N(CCO)CC[NH2+][C@@H]1CCNC1=O ZINC001484501140 892872146 /nfs/dbraw/zinc/87/21/46/892872146.db2.gz MNRLGUJPBVNZLE-GFCCVEGCSA-N 2 0 298.387 -1.619 20 0 CAADRP C[NH+](C)CCC(=O)N1CCO[C@H](C[NH2+]CCO)C1 ZINC001484687546 892883430 /nfs/dbraw/zinc/88/34/30/892883430.db2.gz LDTJVZXTMLSDMV-LLVKDONJSA-N 2 0 259.350 -1.253 20 0 CAADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCO[C@H](C[NH2+]CCO)C1 ZINC001484688871 892885390 /nfs/dbraw/zinc/88/53/90/892885390.db2.gz OEKJCESSZKEIJI-VXGBXAGGSA-N 2 0 271.361 -1.110 20 0 CAADRP C[N@@H+]1CC[C@@H](C(=O)N2CCC[C@](CO)([NH2+]CCO)C2)C1 ZINC001484855129 892892081 /nfs/dbraw/zinc/89/20/81/892892081.db2.gz YSXBGMBGJRWLEO-OCCSQVGLSA-N 2 0 285.388 -1.127 20 0 CAADRP C[N@@H+]1CC[C@@H](C(=O)N2CCC[C@@](CO)([NH2+]CCO)C2)C1 ZINC001484855130 892895487 /nfs/dbraw/zinc/89/54/87/892895487.db2.gz YSXBGMBGJRWLEO-TZMCWYRMSA-N 2 0 285.388 -1.127 20 0 CAADRP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1[NH2+]CC(=O)NC(N)=O ZINC001484899553 892896687 /nfs/dbraw/zinc/89/66/87/892896687.db2.gz IHNCEMISZZJFKP-ZJUUUORDSA-N 2 0 299.375 -1.431 20 0 CAADRP C[C@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1[NH2+]CC(=O)NC(N)=O ZINC001484899551 892896847 /nfs/dbraw/zinc/89/68/47/892896847.db2.gz IHNCEMISZZJFKP-UWVGGRQHSA-N 2 0 299.375 -1.431 20 0 CAADRP C[C@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1[NH2+]CC(=O)NC(N)=O ZINC001484899552 892899556 /nfs/dbraw/zinc/89/95/56/892899556.db2.gz IHNCEMISZZJFKP-VHSXEESVSA-N 2 0 299.375 -1.431 20 0 CAADRP CNC(=O)C[NH2+][C@H](CO)CNC(=O)C1([NH+](C)C)CCC1 ZINC001486001578 892980008 /nfs/dbraw/zinc/98/00/08/892980008.db2.gz JISYBLJNFVLMNG-JTQLQIEISA-N 2 0 286.376 -1.717 20 0 CAADRP C[NH+](C)CCC(=O)NC[C@H](CO)[NH2+]CC(=O)N1CCC1 ZINC001486030776 892990760 /nfs/dbraw/zinc/99/07/60/892990760.db2.gz MKCLYRTUUCTIJN-LLVKDONJSA-N 2 0 286.376 -1.763 20 0 CAADRP C[C@H]([NH2+][C@H](CO)CNC(=O)C12CC[NH+](CC1)C2)C(N)=O ZINC001486052546 893000260 /nfs/dbraw/zinc/00/02/60/893000260.db2.gz JKLDNJPQWCJKEY-UWVGGRQHSA-N 2 0 284.360 -1.977 20 0 CAADRP C[N@@H+]1CC[C@@H](CC(=O)NC[C@H](CO)[NH2+]CC(N)=O)C1 ZINC001486052027 893000973 /nfs/dbraw/zinc/00/09/73/893000973.db2.gz BBNVPWFTBKMRJT-VHSXEESVSA-N 2 0 272.349 -2.120 20 0 CAADRP C[C@@H]([NH2+][C@@H](CO)CNC(=O)C12CC[NH+](CC1)C2)C(N)=O ZINC001486052545 893001957 /nfs/dbraw/zinc/00/19/57/893001957.db2.gz JKLDNJPQWCJKEY-NXEZZACHSA-N 2 0 284.360 -1.977 20 0 CAADRP CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)C12CC[NH+](CC1)C2 ZINC001486051919 893004257 /nfs/dbraw/zinc/00/42/57/893004257.db2.gz AEWKVZYVPIJONW-LLVKDONJSA-N 2 0 298.387 -1.715 20 0 CAADRP C[N@@H+]1CC[C@H](CC(=O)NC[C@@H](CO)[NH2+]CC(N)=O)C1 ZINC001486052028 893004465 /nfs/dbraw/zinc/00/44/65/893004465.db2.gz BBNVPWFTBKMRJT-ZJUUUORDSA-N 2 0 272.349 -2.120 20 0 CAADRP C[C@H]([NH2+][C@@H](CO)CNC(=O)C12CC[NH+](CC1)C2)C(N)=O ZINC001486052547 893004636 /nfs/dbraw/zinc/00/46/36/893004636.db2.gz JKLDNJPQWCJKEY-VHSXEESVSA-N 2 0 284.360 -1.977 20 0 CAADRP CC(C)[N@H+](C)CC(=O)NC[C@@H](CO)[NH2+]CC(=O)N(C)C ZINC001486064827 893008479 /nfs/dbraw/zinc/00/84/79/893008479.db2.gz ABCIGNMVQYCWQG-NSHDSACASA-N 2 0 288.392 -1.519 20 0 CAADRP C[C@@H](C[NH+]1CCOCC1)C(=O)NC[C@H](CO)[NH2+]CCO ZINC001486062712 893010461 /nfs/dbraw/zinc/01/04/61/893010461.db2.gz YORYXGGBQLYNQO-NWDGAFQWSA-N 2 0 289.376 -1.986 20 0 CAADRP CC(C)[N@H+](C)CC(=O)N(C)C[C@@H](O)C[NH2+]CCO ZINC001486317387 893053414 /nfs/dbraw/zinc/05/34/14/893053414.db2.gz HFDKJUJZEDIWSQ-NSHDSACASA-N 2 0 261.366 -1.272 20 0 CAADRP C[N@H+](CCCNC(=O)[C@@H]1CC[NH+](C)C1)CC(N)=O ZINC001490280268 893196897 /nfs/dbraw/zinc/19/68/97/893196897.db2.gz WBMPJEXVTMWHHE-SNVBAGLBSA-N 2 0 256.350 -1.139 20 0 CAADRP CNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001491081196 893238066 /nfs/dbraw/zinc/23/80/66/893238066.db2.gz WEIYFZSMWMHVSW-MXWKQRLJSA-N 2 0 268.361 -1.079 20 0 CAADRP C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]CC(N)=O ZINC001491458158 893277158 /nfs/dbraw/zinc/27/71/58/893277158.db2.gz XZNCCRMBLPIMDC-IVZWLZJFSA-N 2 0 256.350 -1.094 20 0 CAADRP C[C@@H](CNC(=O)COC1CC[NH+](C)CC1)[NH2+]CC(N)=O ZINC001491625609 893300779 /nfs/dbraw/zinc/30/07/79/893300779.db2.gz ORGWHGWRRBNXSW-JTQLQIEISA-N 2 0 286.376 -1.323 20 0 CAADRP C[C@@H](CNC(=O)C12CC[NH+](CC1)C2)[NH2+]CC(=O)NC(N)=O ZINC001491643387 893302593 /nfs/dbraw/zinc/30/25/93/893302593.db2.gz ZCBPLVNKNYABBL-VIFPVBQESA-N 2 0 297.359 -1.629 20 0 CAADRP CNC(=O)C[NH2+][C@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001491643452 893303751 /nfs/dbraw/zinc/30/37/51/893303751.db2.gz ZUYRYSAETWXXAM-SNVBAGLBSA-N 2 0 268.361 -1.078 20 0 CAADRP CNC(=O)C[NH2+][C@@H](C)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001491673854 893305273 /nfs/dbraw/zinc/30/52/73/893305273.db2.gz PNYVRTVAZNSBDP-VHSXEESVSA-N 2 0 256.350 -1.222 20 0 CAADRP CNC(=O)C[NH2+][C@@H](C)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001491673852 893305364 /nfs/dbraw/zinc/30/53/64/893305364.db2.gz PNYVRTVAZNSBDP-UWVGGRQHSA-N 2 0 256.350 -1.222 20 0 CAADRP CNC(=O)C[NH2+][C@H](C)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001491673850 893307410 /nfs/dbraw/zinc/30/74/10/893307410.db2.gz PNYVRTVAZNSBDP-NXEZZACHSA-N 2 0 256.350 -1.222 20 0 CAADRP C[N@@H+]1CC[C@@H](C(=O)N2CC[C@H](C[NH2+]CC(N)=O)C2)C1 ZINC001491855796 893313627 /nfs/dbraw/zinc/31/36/27/893313627.db2.gz HNVDWIXXEZGAGE-GHMZBOCLSA-N 2 0 268.361 -1.139 20 0 CAADRP C[N@@H+]1CC[C@H](C(=O)N2CC[C@H](C[NH2+]CC(N)=O)C2)C1 ZINC001491855797 893315890 /nfs/dbraw/zinc/31/58/90/893315890.db2.gz HNVDWIXXEZGAGE-MNOVXSKESA-N 2 0 268.361 -1.139 20 0 CAADRP CN(CC[NH2+]CC(=O)NC(N)=O)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001493601000 893407659 /nfs/dbraw/zinc/40/76/59/893407659.db2.gz UFZBUTZQEOEQCT-SNVBAGLBSA-N 2 0 299.375 -1.286 20 0 CAADRP CN(CC[NH2+]CC(N)=O)C(=O)c1cnn(CC[NH+](C)C)c1 ZINC001493724407 893414980 /nfs/dbraw/zinc/41/49/80/893414980.db2.gz CAGMASXDYHDBSI-UHFFFAOYSA-N 2 0 296.375 -1.408 20 0 CAADRP CN(CC[NH2+]CCOCCO)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001493794719 893418121 /nfs/dbraw/zinc/41/81/21/893418121.db2.gz YYBKOIHTHRETPW-LBPRGKRZSA-N 2 0 273.377 -1.005 20 0 CAADRP C[N@@H+]1CC[C@H](C(=O)NCC2C[NH+](CCOCCO)C2)C1 ZINC001494626606 893449209 /nfs/dbraw/zinc/44/92/09/893449209.db2.gz YOKIDZIMMWSUQT-ZDUSSCGKSA-N 2 0 285.388 -1.005 20 0 CAADRP CC[C@@H](CNC(=O)[C@@H]1CN(C)CCO1)[NH2+]CC(N)=O ZINC001494960444 893464672 /nfs/dbraw/zinc/46/46/72/893464672.db2.gz VVCCFJAKJVGHRO-UWVGGRQHSA-N 2 0 272.349 -1.713 20 0 CAADRP CC[C@H](CNC(=O)[C@H]1CN(C)CCO1)[NH2+]CC(N)=O ZINC001494960439 893465906 /nfs/dbraw/zinc/46/59/06/893465906.db2.gz VVCCFJAKJVGHRO-NXEZZACHSA-N 2 0 272.349 -1.713 20 0 CAADRP CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001496956021 893556847 /nfs/dbraw/zinc/55/68/47/893556847.db2.gz XHAZRBPGXNLIOP-MNOVXSKESA-N 2 0 286.376 -1.717 20 0 CAADRP C[C@@H]([NH2+]C[C@H](O)CNC(=O)CC[NH+](C)C)C(=O)N(C)C ZINC001497048154 893588793 /nfs/dbraw/zinc/58/87/93/893588793.db2.gz PZNKXYMTMATGPT-MNOVXSKESA-N 2 0 288.392 -1.519 20 0 CAADRP C[C@H]([NH2+]C[C@H](O)CNC(=O)CC[NH+](C)C)C(=O)N(C)C ZINC001497048156 893589884 /nfs/dbraw/zinc/58/98/84/893589884.db2.gz PZNKXYMTMATGPT-QWRGUYRKSA-N 2 0 288.392 -1.519 20 0 CAADRP C[C@@H](O)C[NH2+]C[C@H](O)CNC(=O)C1CC[NH+](C)CC1 ZINC001497045542 893590859 /nfs/dbraw/zinc/59/08/59/893590859.db2.gz FSSHYLKXSFOUPE-PWSUYJOCSA-N 2 0 273.377 -1.224 20 0 CAADRP C[C@@H]([NH2+]C[C@@H](O)CNC(=O)CC[NH+](C)C)C(=O)N(C)C ZINC001497048147 893591000 /nfs/dbraw/zinc/59/10/00/893591000.db2.gz PZNKXYMTMATGPT-GHMZBOCLSA-N 2 0 288.392 -1.519 20 0 CAADRP O=C(C[NH+]1CCCC1)NC[C@@H](O)C[NH2+]CCn1cncn1 ZINC001497112638 893604647 /nfs/dbraw/zinc/60/46/47/893604647.db2.gz VLCLCJFYMWZSSV-LBPRGKRZSA-N 2 0 296.375 -1.559 20 0 CAADRP CNC(=O)C[NH2+]C[C@@H](O)CNC(=O)C[NH+]1CCCC1 ZINC001497115150 893607920 /nfs/dbraw/zinc/60/79/20/893607920.db2.gz UGDLHYCGTJRSSU-SNVBAGLBSA-N 2 0 272.349 -2.105 20 0 CAADRP NC(=O)NC(=O)C[NH2+]C/C=C/CNC(=O)C[NH+]1CCCC1 ZINC001497750147 893631487 /nfs/dbraw/zinc/63/14/87/893631487.db2.gz PVLWBRPSDFVNIQ-OWOJBTEDSA-N 2 0 297.359 -1.461 20 0 CAADRP C[C@H](C[NH2+]CC(N)=O)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001497817190 893639619 /nfs/dbraw/zinc/63/96/19/893639619.db2.gz NWIXAIWHMVDPRR-MWLCHTKSSA-N 2 0 268.361 -1.092 20 0 CAADRP C[C@@H](C[NH2+]CC(N)=O)NC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001498043540 893648750 /nfs/dbraw/zinc/64/87/50/893648750.db2.gz MAEFGFQFZPKAGH-JTQLQIEISA-N 2 0 296.375 -1.362 20 0 CAADRP C[C@@H](C[NH2+]CC(=O)NC(N)=O)NC(=O)C1CC[NH+](C)CC1 ZINC001498106994 893654825 /nfs/dbraw/zinc/65/48/25/893654825.db2.gz ZJBHEEYZIWRZSG-VIFPVBQESA-N 2 0 299.375 -1.383 20 0 CAADRP CC(C)[N@H+](C)CC(=O)N[C@@H](C)C[NH2+]CC(=O)NC(N)=O ZINC001498197866 893664026 /nfs/dbraw/zinc/66/40/26/893664026.db2.gz YRCQABVYCJRQMM-VIFPVBQESA-N 2 0 287.364 -1.384 20 0 CAADRP C[C@@H](C[NH2+]CC(=O)NC(N)=O)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001498190322 893664395 /nfs/dbraw/zinc/66/43/95/893664395.db2.gz NNTQZDJXURMTQP-DTWKUNHWSA-N 2 0 285.348 -1.773 20 0 CAADRP C[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CC(N)=O)CC1 ZINC001499183396 893709878 /nfs/dbraw/zinc/70/98/78/893709878.db2.gz BSOWUZIBISKSON-VIFPVBQESA-N 2 0 254.334 -1.196 20 0 CAADRP CNC(=O)C[NH2+]C1(CNC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001499448757 893716898 /nfs/dbraw/zinc/71/68/98/893716898.db2.gz QYGFYXWXCHGUSV-JTQLQIEISA-N 2 0 268.361 -1.078 20 0 CAADRP C[NH+](C)CC1(C(=O)NC[C@]2(O)CC[N@H+](CCO)C2)CC1 ZINC001500718812 893750595 /nfs/dbraw/zinc/75/05/95/893750595.db2.gz ZCWZOFUKOPUFJT-CQSZACIVSA-N 2 0 285.388 -1.127 20 0 CAADRP CC(C)[N@H+](C)CC(=O)NC[C@]1(O)CC[NH+](CCO)C1 ZINC001500765448 893757839 /nfs/dbraw/zinc/75/78/39/893757839.db2.gz ADUOAXSUXXVMPQ-CYBMUJFWSA-N 2 0 273.377 -1.128 20 0 CAADRP C[NH+](C)CCC(=O)N[C@@]1(CO)CCC[N@H+](CCO)C1 ZINC001501346211 893785152 /nfs/dbraw/zinc/78/51/52/893785152.db2.gz ZAISJYJYPRJQTB-ZDUSSCGKSA-N 2 0 273.377 -1.127 20 0 CAADRP C[NH+]1CCC(C(=O)N(CCO)CC[NH2+]CC(N)=O)CC1 ZINC001501490589 893808699 /nfs/dbraw/zinc/80/86/99/893808699.db2.gz PMPJSTSRKKNAQO-UHFFFAOYSA-N 2 0 286.376 -1.776 20 0 CAADRP CNC(=O)C[NH2+]CCN(CCO)C(=O)Cc1[nH]cnc1C ZINC001501508735 893812702 /nfs/dbraw/zinc/81/27/02/893812702.db2.gz LXQQPQBYXABQAQ-UHFFFAOYSA-N 2 0 297.359 -1.583 20 0 CAADRP C[N@@H+]1CC[C@@H](CC(=O)N(CCO)CC[NH2+]CC(N)=O)C1 ZINC001501506183 893812772 /nfs/dbraw/zinc/81/27/72/893812772.db2.gz ONQOBCCMHAMNDX-NSHDSACASA-N 2 0 286.376 -1.776 20 0 CAADRP O=C(N(CCO)CC[NH2+]CCCO)C12CC[NH+](CC1)C2 ZINC001501507004 893815043 /nfs/dbraw/zinc/81/50/43/893815043.db2.gz WCCFFQKQCQHKDH-UHFFFAOYSA-N 2 0 285.388 -1.125 20 0 CAADRP O=C(N(CCO)CC[NH2+]CCO)[C@@]12CC[N@H+](C1)CCC2 ZINC001501508615 893815659 /nfs/dbraw/zinc/81/56/59/893815659.db2.gz HTXQTVLETRDGOX-AWEZNQCLSA-N 2 0 285.388 -1.125 20 0 CAADRP CNC(=O)C[NH2+]C[C@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)CCO1 ZINC001502092098 893837861 /nfs/dbraw/zinc/83/78/61/893837861.db2.gz ICYHPRYBAFLSML-RYUDHWBXSA-N 2 0 298.387 -1.499 20 0 CAADRP CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)CCO1 ZINC001502092097 893838819 /nfs/dbraw/zinc/83/88/19/893838819.db2.gz ICYHPRYBAFLSML-NWDGAFQWSA-N 2 0 298.387 -1.499 20 0 CAADRP C[C@H]([NH2+]C[C@H]1CN(C(=O)C[NH+]2CCCC2)CCO1)C(N)=O ZINC001502091756 893840771 /nfs/dbraw/zinc/84/07/71/893840771.db2.gz AISZVXVRJGVBDP-RYUDHWBXSA-N 2 0 298.387 -1.227 20 0 CAADRP C[NH+](C)CCC(=O)N1CCC(O)(C[NH2+]CC(N)=O)CC1 ZINC001502883482 893864890 /nfs/dbraw/zinc/86/48/90/893864890.db2.gz MHKAFTJPWKJRTG-UHFFFAOYSA-N 2 0 286.376 -1.634 20 0 CAADRP C[N@@H+]1CC[C@@H](C(=O)NC2CC(C[NH2+]CC(N)=O)C2)C1 ZINC001505536112 893882057 /nfs/dbraw/zinc/88/20/57/893882057.db2.gz MWIJVFBDOPIJKT-HSOILSAZSA-N 2 0 268.361 -1.092 20 0 CAADRP C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](C)[NH2+]CC(=O)NC(N)=O ZINC001505685122 893888388 /nfs/dbraw/zinc/88/83/88/893888388.db2.gz FBEUMANYGRELOL-RKDXNWHRSA-N 2 0 287.364 -1.384 20 0 CAADRP C[C@@H]([NH2+]CC(N)=O)[C@@H]1CN(C(=O)CC[NH+](C)C)CCO1 ZINC001506846806 893946199 /nfs/dbraw/zinc/94/61/99/893946199.db2.gz ZXGZJAJTBZNHJW-MNOVXSKESA-N 2 0 286.376 -1.371 20 0 CAADRP C[C@@H]([NH2+]CC(N)=O)[C@H]1CN(C(=O)CC[NH+](C)C)CCO1 ZINC001506846801 893948217 /nfs/dbraw/zinc/94/82/17/893948217.db2.gz ZXGZJAJTBZNHJW-GHMZBOCLSA-N 2 0 286.376 -1.371 20 0 CAADRP C[C@@H]1[C@H](C(=O)NC[C@@H](CO)[NH2+]CC(N)=O)CC[N@@H+]1C ZINC001507198205 893991234 /nfs/dbraw/zinc/99/12/34/893991234.db2.gz PYYLANVMXGXBKI-KXUCPTDWSA-N 2 0 272.349 -2.121 20 0 CAADRP C[C@@H]1[C@H](C(=O)NC[C@H](CO)[NH2+]CC(N)=O)CC[N@@H+]1C ZINC001507198206 893992593 /nfs/dbraw/zinc/99/25/93/893992593.db2.gz PYYLANVMXGXBKI-OPRDCNLKSA-N 2 0 272.349 -2.121 20 0 CAADRP C[C@@H]1[C@H](C(=O)NC[C@@H](CO)[NH2+]CCO)CC[N@@H+]1C ZINC001507198326 893992950 /nfs/dbraw/zinc/99/29/50/893992950.db2.gz TUYJGVSHMHAXJK-OUAUKWLOSA-N 2 0 259.350 -1.614 20 0 CAADRP CN1CC[C@@H]([NH2+][C@@H](CO)CNC(=O)CC[NH+](C)C)C1=O ZINC001507232102 894010726 /nfs/dbraw/zinc/01/07/26/894010726.db2.gz LYHNELTZEUBAGP-GHMZBOCLSA-N 2 0 286.376 -1.765 20 0 CAADRP C[NH+](C)CCCC(=O)NC[C@@H](CO)[NH2+][C@@H]1CCNC1=O ZINC001507229712 894011035 /nfs/dbraw/zinc/01/10/35/894011035.db2.gz QFVBXIRAOYWJGP-WDEREUQCSA-N 2 0 286.376 -1.717 20 0 CAADRP C[NH+](C)CCCC(=O)NC[C@H](CO)[NH2+][C@H]1CCNC1=O ZINC001507229710 894013083 /nfs/dbraw/zinc/01/30/83/894013083.db2.gz QFVBXIRAOYWJGP-MNOVXSKESA-N 2 0 286.376 -1.717 20 0 CAADRP C[N@@H+]1CC[C@H](C(=O)NC[C@H](CO)[NH2+]CCCO)C1 ZINC001507261751 894032981 /nfs/dbraw/zinc/03/29/81/894032981.db2.gz UNIZEGTUWJMSBO-WDEREUQCSA-N 2 0 259.350 -1.613 20 0 CAADRP O=C(C[NH+]1CCCC1)NC[C@H](CO)[NH2+][C@H]1CCNC1=O ZINC001507262754 894034231 /nfs/dbraw/zinc/03/42/31/894034231.db2.gz ZSFQOBFUDMIBRN-MNOVXSKESA-N 2 0 284.360 -1.963 20 0 CAADRP C[N@@H+]1CC[C@H](C(=O)NC[C@@H](CO)[NH2+]CC(=O)N2CCC2)C1 ZINC001507262135 894036281 /nfs/dbraw/zinc/03/62/81/894036281.db2.gz VOXHWZNUIPCAAH-RYUDHWBXSA-N 2 0 298.387 -1.763 20 0 CAADRP CNC(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001507469764 894050921 /nfs/dbraw/zinc/05/09/21/894050921.db2.gz BUHNXBMYGACHBR-MNOVXSKESA-N 2 0 286.376 -1.765 20 0 CAADRP CN(C[C@@H](O)C[NH2+]CC(N)=O)C(=O)CC[NH+](C)C ZINC001507503258 894063734 /nfs/dbraw/zinc/06/37/34/894063734.db2.gz ZDYIQVMUASFYMI-VIFPVBQESA-N 2 0 260.338 -2.168 20 0 CAADRP CN(C[C@H](O)C[NH2+][C@@H]1CCNC1=O)C(=O)C[NH+]1CCCC1 ZINC001507560734 894065045 /nfs/dbraw/zinc/06/50/45/894065045.db2.gz ALEGYTQDBUYICL-VXGBXAGGSA-N 2 0 298.387 -1.620 20 0 CAADRP CN(C[C@H](O)C[NH2+][C@H]1CCNC1=O)C(=O)C[NH+]1CCCC1 ZINC001507560731 894066125 /nfs/dbraw/zinc/06/61/25/894066125.db2.gz ALEGYTQDBUYICL-NEPJUHHUSA-N 2 0 298.387 -1.620 20 0 CAADRP CN(C[C@@H](O)C[NH2+][C@H]1CCNC1=O)C(=O)C[NH+]1CCCC1 ZINC001507560733 894066824 /nfs/dbraw/zinc/06/68/24/894066824.db2.gz ALEGYTQDBUYICL-RYUDHWBXSA-N 2 0 298.387 -1.620 20 0 CAADRP COCC[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001507560758 894068663 /nfs/dbraw/zinc/06/86/63/894068663.db2.gz APDVYJAOIVAVJY-VXGBXAGGSA-N 2 0 273.377 -1.007 20 0 CAADRP COCC[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001507560756 894069334 /nfs/dbraw/zinc/06/93/34/894069334.db2.gz APDVYJAOIVAVJY-NWDGAFQWSA-N 2 0 273.377 -1.007 20 0 CAADRP COCC[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001507560757 894069379 /nfs/dbraw/zinc/06/93/79/894069379.db2.gz APDVYJAOIVAVJY-RYUDHWBXSA-N 2 0 273.377 -1.007 20 0 CAADRP C[NH2+]C[C@H](O)[C@@H](C)C(=O)NCCCN1CC[NH2+]CC1 ZINC001521145331 894200119 /nfs/dbraw/zinc/20/01/19/894200119.db2.gz SMBTXMNTJDGLQI-NEPJUHHUSA-N 2 0 272.393 -1.386 20 0 CAADRP C[NH2+]C[C@H](O)[C@@H](C)C(=O)NCCN1CC[NH2+]CC1 ZINC001521150591 894202490 /nfs/dbraw/zinc/20/24/90/894202490.db2.gz ARQXCVUORRGCEU-MNOVXSKESA-N 2 0 258.366 -1.776 20 0 CAADRP CC(C)(C[NH3+])NC(=O)[C@@H]1CC(=O)N(C2C[NH2+]C2)C1 ZINC001521152246 894203145 /nfs/dbraw/zinc/20/31/45/894203145.db2.gz RRBVKXQZAGJVDU-MRVPVSSYSA-N 2 0 254.334 -1.340 20 0 CAADRP C[C@H]1CN2CC[N@@H+]1C[C@H]2C(=O)NCCCN1CC[NH2+]CC1 ZINC001521145235 894203306 /nfs/dbraw/zinc/20/33/06/894203306.db2.gz QBDGRSDBZSRJDW-KBPBESRZSA-N 2 0 295.431 -1.214 20 0 CAADRP C[C@@H](C[NH3+])N(C)C(=O)[C@H]1CC(=O)N(C2C[NH2+]C2)C1 ZINC001521152030 894203418 /nfs/dbraw/zinc/20/34/18/894203418.db2.gz MWWGXWWUTBWMAL-IUCAKERBSA-N 2 0 254.334 -1.388 20 0 CAADRP CC(C)[C@H]([NH3+])C(=O)NCCC(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001521546004 894207819 /nfs/dbraw/zinc/20/78/19/894207819.db2.gz AMQOETKCNQKAIU-BSJXLVFVSA-N 2 0 268.361 -1.190 20 0 CAADRP CC[NH2+][C@H](C)CNC(=O)[C@H]1CC(=O)N(C2C[NH2+]C2)C1 ZINC001521534197 894208824 /nfs/dbraw/zinc/20/88/24/894208824.db2.gz SXXTVVLLKWXTPN-ZJUUUORDSA-N 2 0 268.361 -1.079 20 0 CAADRP [NH3+]CCN1CCC[C@@H](C(=O)NC[C@@H]2C[C@H](F)C[NH2+]2)C1=O ZINC001521540890 894208851 /nfs/dbraw/zinc/20/88/51/894208851.db2.gz MWFSXAVGFUTKQB-DCAQKATOSA-N 2 0 286.351 -1.000 20 0 CAADRP C[NH+](C)C1(CNC(=O)CNCC[NH3+])CCOCC1 ZINC001521482062 894209291 /nfs/dbraw/zinc/20/92/91/894209291.db2.gz CYLJICFNLSGHDE-UHFFFAOYSA-N 2 0 258.366 -1.238 20 0 CAADRP CC[NH+]1CCN(CCNC(=O)[C@@H]([NH3+])COC)CC1 ZINC001521503164 894209747 /nfs/dbraw/zinc/20/97/47/894209747.db2.gz DHSMAFOBEIBXAH-NSHDSACASA-N 2 0 258.366 -1.286 20 0 CAADRP COCC[NH2+]CCNC(=O)C[C@@]1(O)CCC[NH2+]C1 ZINC001521511768 894210226 /nfs/dbraw/zinc/21/02/26/894210226.db2.gz COYPYVXCIFZJPV-LBPRGKRZSA-N 2 0 259.350 -1.157 20 0 CAADRP O=C(C[C@]1(O)CCC[NH2+]C1)N[C@@H]1COC2(C[NH2+]C2)C1 ZINC001521971034 894211268 /nfs/dbraw/zinc/21/12/68/894211268.db2.gz CLLNXPYHXJSDRI-CMPLNLGQSA-N 2 0 269.345 -1.262 20 0 CAADRP O=C(C[C@]1(O)CCC[NH2+]C1)N[C@H]1COC2(C[NH2+]C2)C1 ZINC001521971043 894211631 /nfs/dbraw/zinc/21/16/31/894211631.db2.gz CLLNXPYHXJSDRI-ZYHUDNBSSA-N 2 0 269.345 -1.262 20 0 CAADRP C[NH2+]CCCN(C)C(=O)[C@H]1CC(=O)N(C2C[NH2+]C2)C1 ZINC001521705853 894212391 /nfs/dbraw/zinc/21/23/91/894212391.db2.gz FTLUDNABJXVTPG-JTQLQIEISA-N 2 0 268.361 -1.125 20 0 CAADRP C[C@]1(C(=O)N2CCCO[C@@H](C[NH3+])C2)C[C@@H](O)C[NH2+]1 ZINC001521698637 894212449 /nfs/dbraw/zinc/21/24/49/894212449.db2.gz SNFFNFYMUQBINX-JFGNBEQYSA-N 2 0 257.334 -1.325 20 0 CAADRP C[C@]1(C(=O)N2CCCO[C@@H](C[NH3+])C2)C[C@H](O)C[NH2+]1 ZINC001521698636 894214298 /nfs/dbraw/zinc/21/42/98/894214298.db2.gz SNFFNFYMUQBINX-JBLDHEPKSA-N 2 0 257.334 -1.325 20 0 CAADRP CN1CC[NH2+]C[C@H]1C(=O)N1NC(=O)C[C@]12CC[NH2+]C2 ZINC001522310653 894220394 /nfs/dbraw/zinc/22/03/94/894220394.db2.gz CHDFCNDOOBWDFC-CABZTGNLSA-N 2 0 267.333 -2.114 20 0 CAADRP C[C@]1(C(=O)N2CCC[C@]([NH3+])(CO)C2)C[C@H](O)C[NH2+]1 ZINC001523010450 894261977 /nfs/dbraw/zinc/26/19/77/894261977.db2.gz RKRXDHKZJSJHIZ-MVWJERBFSA-N 2 0 257.334 -1.589 20 0 CAADRP C[C@]1(C(=O)N2CCC[C@@]([NH3+])(CO)C2)C[C@H](O)C[NH2+]1 ZINC001523010451 894262700 /nfs/dbraw/zinc/26/27/00/894262700.db2.gz RKRXDHKZJSJHIZ-WCQGTBRESA-N 2 0 257.334 -1.589 20 0 CAADRP C[C@]1(C(=O)N2CCC[C@@]([NH3+])(CO)C2)C[C@@H](O)C[NH2+]1 ZINC001523010449 894263520 /nfs/dbraw/zinc/26/35/20/894263520.db2.gz RKRXDHKZJSJHIZ-JLLWLGSASA-N 2 0 257.334 -1.589 20 0 CAADRP O=C(N1CCC2(CC1)C[NH2+]CCO2)C1(O)C[NH2+]C1 ZINC001523174032 894266226 /nfs/dbraw/zinc/26/62/26/894266226.db2.gz YNKZYXOEEYXRBP-UHFFFAOYSA-N 2 0 255.318 -1.698 20 0 CAADRP O=C(NCC[NH2+]CCNC(=O)[C@H]1CCC[NH2+]1)[C@H]1CCC[NH2+]1 ZINC001523666122 894267911 /nfs/dbraw/zinc/26/79/11/894267911.db2.gz GCQQFEBHUMATJN-VXGBXAGGSA-N 3 0 297.403 -1.688 20 0 CAADRP CN(C(=O)[C@H]1CCCN(CC[NH3+])C1=O)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001524119724 894274854 /nfs/dbraw/zinc/27/48/54/894274854.db2.gz IXIITXYBWCYEOH-WYUUTHIRSA-N 2 0 280.372 -1.140 20 0 CAADRP [NH3+]CCNCC(=O)NC[C@@]1(CO)COC[C@@H]2CCC[N@@H+]21 ZINC001524150535 894279105 /nfs/dbraw/zinc/27/91/05/894279105.db2.gz RUMFDWMBFHMTPQ-WCQYABFASA-N 2 0 286.376 -2.123 20 0 CAADRP O=C(C[C@@]1(O)CCC[NH2+]C1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC001548557149 894486130 /nfs/dbraw/zinc/48/61/30/894486130.db2.gz RZFNTZCWOAJUJR-HIFRSBDPSA-N 2 0 296.415 -1.003 20 0 CAADRP CN1CC[NH2+]C[C@H]1CNC(=O)C1=NO[C@@]2(C1)CCC[NH2+]C2 ZINC001548558223 894486606 /nfs/dbraw/zinc/48/66/06/894486606.db2.gz GPTBLLXEPBSUBH-SMDDNHRTSA-N 2 0 295.387 -1.095 20 0 CAADRP Cn1cc([C@@H]2CN(C(=O)CN3CC[NH2+]CC3)C[C@H]2[NH3+])cn1 ZINC001548479943 894486702 /nfs/dbraw/zinc/48/67/02/894486702.db2.gz UJMXUSZDAQFOIJ-QWHCGFSZSA-N 2 0 292.387 -1.422 20 0 CAADRP CN1CC[NH2+]C[C@@H]1CNC(=O)C1=NO[C@@]2(C1)CCC[NH2+]C2 ZINC001548558217 894486788 /nfs/dbraw/zinc/48/67/88/894486788.db2.gz GPTBLLXEPBSUBH-BXUZGUMPSA-N 2 0 295.387 -1.095 20 0 CAADRP CN1CC[NH2+]C[C@@H]1C(=O)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC001548552764 894486923 /nfs/dbraw/zinc/48/69/23/894486923.db2.gz FTGQGKBNRUHJCZ-BFHYXJOUSA-N 2 0 296.415 -1.052 20 0 CAADRP C[C@@H]1COCCN1CCNC(=O)[C@@H]1C[NH2+]CCN1C ZINC001548554505 894486965 /nfs/dbraw/zinc/48/69/65/894486965.db2.gz VSYMGQCAHGAPFK-NEPJUHHUSA-N 2 0 270.377 -1.273 20 0 CAADRP CN1CC[NH2+]C[C@@H]1CNC(=O)C[C@@]1(O)CCC[NH2+]C1 ZINC001548558825 894487043 /nfs/dbraw/zinc/48/70/43/894487043.db2.gz LAFHVWSFFLYSNE-YPMHNXCESA-N 2 0 270.377 -1.489 20 0 CAADRP CN1CC[NH2+]C[C@@H]1CNC(=O)C1=NO[C@]2(C1)CCC[NH2+]C2 ZINC001548558222 894487130 /nfs/dbraw/zinc/48/71/30/894487130.db2.gz GPTBLLXEPBSUBH-RISCZKNCSA-N 2 0 295.387 -1.095 20 0 CAADRP C[C@H]1COCCN1CCNC(=O)[C@@H]1C[NH2+]CCN1C ZINC001548554507 894487136 /nfs/dbraw/zinc/48/71/36/894487136.db2.gz VSYMGQCAHGAPFK-RYUDHWBXSA-N 2 0 270.377 -1.273 20 0 CAADRP O=C(C[C@]1(O)CCC[NH2+]C1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC001548557141 894487184 /nfs/dbraw/zinc/48/71/84/894487184.db2.gz RZFNTZCWOAJUJR-DZGCQCFKSA-N 2 0 296.415 -1.003 20 0 CAADRP CN1CC[NH2+]C[C@@H]1C(=O)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC001548552770 894487317 /nfs/dbraw/zinc/48/73/17/894487317.db2.gz FTGQGKBNRUHJCZ-MCIONIFRSA-N 2 0 296.415 -1.052 20 0 CAADRP CO[C@@H](C[NH3+])C(=O)N1CC2(C[NH2+]C2)OC(C)(C)C1 ZINC001548576447 894489064 /nfs/dbraw/zinc/48/90/64/894489064.db2.gz QDIGPHGNSFXOAL-VIFPVBQESA-N 2 0 257.334 -1.061 20 0 CAADRP CN1CC[NH2+]C[C@H]1C(=O)N1CCC[C@H]([NH2+]CCO)C1 ZINC001548574542 894488832 /nfs/dbraw/zinc/48/88/32/894488832.db2.gz GAMNEQAWXLJMSD-RYUDHWBXSA-N 2 0 270.377 -1.537 20 0 CAADRP O=C(C[C@@H]1C[NH2+]CCO1)N1CCC[C@@H]([NH2+]CCO)C1 ZINC001548574602 894489034 /nfs/dbraw/zinc/48/90/34/894489034.db2.gz NHDSKETVHBEGPX-VXGBXAGGSA-N 2 0 271.361 -1.062 20 0 CAADRP C[NH2+]C[C@H](O)CN(C)C(=O)C1=NO[C@@]2(C1)CCC[NH2+]C2 ZINC001548575931 894489139 /nfs/dbraw/zinc/48/91/39/894489139.db2.gz KMVYPFBBUIOTPK-GXFFZTMASA-N 2 0 284.360 -1.076 20 0 CAADRP O=C(C[C@@H]1C[NH2+]CCO1)N1CCC[C@H]([NH2+]CCO)C1 ZINC001548574599 894489242 /nfs/dbraw/zinc/48/92/42/894489242.db2.gz NHDSKETVHBEGPX-NWDGAFQWSA-N 2 0 271.361 -1.062 20 0 CAADRP O=C(CN1CC[NH2+]CC1)N1CCC[C@H]([NH2+]CCO)C1 ZINC001548574539 894489257 /nfs/dbraw/zinc/48/92/57/894489257.db2.gz FZTGEQBNHQIIJX-LBPRGKRZSA-N 2 0 270.377 -1.536 20 0 CAADRP CCO[C@@H]1C[C@]([NH3+])(C(=O)N[C@@H]2C[NH2+]C[C@@H]2O)C1(C)C ZINC001548573692 894489263 /nfs/dbraw/zinc/48/92/63/894489263.db2.gz VATPNTXYCZSKIT-COMAGPEQSA-N 2 0 271.361 -1.032 20 0 CAADRP O=C(C[C@H]1C[NH2+]CCO1)N1CCC[C@@H]([NH2+]CCO)C1 ZINC001548574596 894489798 /nfs/dbraw/zinc/48/97/98/894489798.db2.gz NHDSKETVHBEGPX-NEPJUHHUSA-N 2 0 271.361 -1.062 20 0 CAADRP C[NH+](C)CCN1C[C@H](C(=O)N[C@@H]2C[NH2+]C[C@@H]2O)CC1=O ZINC001548573105 894489982 /nfs/dbraw/zinc/48/99/82/894489982.db2.gz VJSLRJBFEHVYRU-MXWKQRLJSA-N 2 0 284.360 -2.155 20 0 CAADRP C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)NCC[NH+]1CC[C@@H](O)C1 ZINC001548733280 894502439 /nfs/dbraw/zinc/50/24/39/894502439.db2.gz BRYAXHQTMCCCLD-JHJVBQTASA-N 2 0 282.388 -1.443 20 0 CAADRP C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)NCC[NH+]1CC[C@H](O)C1 ZINC001548733648 894503572 /nfs/dbraw/zinc/50/35/72/894503572.db2.gz BRYAXHQTMCCCLD-FRRDWIJNSA-N 2 0 282.388 -1.443 20 0 CAADRP C[NH+](C)C[C@]1(O)CCN(C(=O)[C@@]2(C)C[C@H](O)C[N@@H+]2C)C1 ZINC001548749942 894504029 /nfs/dbraw/zinc/50/40/29/894504029.db2.gz GTEASAUMXJYQKV-IACUBPJLSA-N 2 0 285.388 -1.034 20 0 CAADRP O=C(NC[C@@H]1C[NH2+]CCCO1)c1cn([C@H]2CC[NH2+]C2)nn1 ZINC001548938814 894504760 /nfs/dbraw/zinc/50/47/60/894504760.db2.gz KNAUNGDFJIXAAA-QWRGUYRKSA-N 2 0 294.359 -1.079 20 0 CAADRP C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)NCC[NH+]1CC[C@@H](O)C1 ZINC001548733281 894505129 /nfs/dbraw/zinc/50/51/29/894505129.db2.gz BRYAXHQTMCCCLD-UPJWGTAASA-N 2 0 282.388 -1.443 20 0 CAADRP CO[C@@H]1C[NH2+][C@H](C(=O)N2CC[C@H]3OCC[NH2+][C@@H]3C2)C1 ZINC001549044838 894506188 /nfs/dbraw/zinc/50/61/88/894506188.db2.gz LBAJBBPEONSMDR-NNYUYHANSA-N 2 0 269.345 -1.047 20 0 CAADRP O=C(C[C@@H]1COCC[NH2+]1)N1CC[C@@H]2OCC[NH2+][C@H]2C1 ZINC001549044771 894506251 /nfs/dbraw/zinc/50/62/51/894506251.db2.gz DPAVJUNAOYJQRG-WOPDTQHZSA-N 2 0 269.345 -1.046 20 0 CAADRP O=C([C@@H]1C[NH2+]CCO1)N1CC[C@H]2OCC[NH2+][C@H]2C1 ZINC001549044828 894506450 /nfs/dbraw/zinc/50/64/50/894506450.db2.gz KWUIFHATNKTRLQ-AXFHLTTASA-N 2 0 255.318 -1.436 20 0 CAADRP CO[C@@H]1C[NH2+][C@H](C(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)C1 ZINC001549045522 894506900 /nfs/dbraw/zinc/50/69/00/894506900.db2.gz CKUMMJZEEFPTIT-AVGNSLFASA-N 2 0 282.388 -1.131 20 0 CAADRP O=C(C[C@H]1C[NH2+]CCO1)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC001549044511 894506943 /nfs/dbraw/zinc/50/69/43/894506943.db2.gz SGNNUUSSSMLWDR-OLZOCXBDSA-N 2 0 282.388 -1.129 20 0 CAADRP O=C(CCNC(=O)[C@H]1CCC[NH2+]1)NC[C@@H]1C[NH2+]CCCO1 ZINC001549046103 894507575 /nfs/dbraw/zinc/50/75/75/894507575.db2.gz HALYPFPDUFZMEY-NWDGAFQWSA-N 2 0 298.387 -1.261 20 0 CAADRP O=C(CNC(=O)[C@H]1CCC[NH2+]1)N1CC[C@@H]2OCC[NH2+][C@@H]2C1 ZINC001549044842 894507606 /nfs/dbraw/zinc/50/76/06/894507606.db2.gz LOUNOSUXAZVZGW-UTUOFQBUSA-N 2 0 296.371 -1.556 20 0 CAADRP O=C(C[C@@H]1COCC[NH2+]1)N1CC[C@H]2OCC[NH2+][C@H]2C1 ZINC001549044768 894508384 /nfs/dbraw/zinc/50/83/84/894508384.db2.gz DPAVJUNAOYJQRG-GRYCIOLGSA-N 2 0 269.345 -1.046 20 0 CAADRP CO[C@@H]1C[NH2+][C@@H](C(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)C1 ZINC001549045523 894508728 /nfs/dbraw/zinc/50/87/28/894508728.db2.gz CKUMMJZEEFPTIT-FRRDWIJNSA-N 2 0 282.388 -1.131 20 0 CAADRP [NH3+]Cc1cn([C@@H]2CCCN(C(=O)[C@@H]3C[NH2+]CCO3)C2)nn1 ZINC001549046943 894509926 /nfs/dbraw/zinc/50/99/26/894509926.db2.gz DYIHZCKEIDDFNT-NEPJUHHUSA-N 2 0 294.359 -1.111 20 0 CAADRP [NH3+]Cc1cn([C@H]2CCCN(C(=O)[C@H]3C[NH2+]CCO3)C2)nn1 ZINC001549046944 894509982 /nfs/dbraw/zinc/50/99/82/894509982.db2.gz DYIHZCKEIDDFNT-NWDGAFQWSA-N 2 0 294.359 -1.111 20 0 CAADRP [NH3+]C[C@H]1CN(C(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)CCCO1 ZINC001549048786 894510052 /nfs/dbraw/zinc/51/00/52/894510052.db2.gz GZXLIVGUCIIXGF-RYUDHWBXSA-N 2 0 298.387 -1.179 20 0 CAADRP CC(C)[C@@H]([NH3+])C(=O)NCC(=O)N1CCCO[C@H](C[NH3+])C1 ZINC001549050631 894510269 /nfs/dbraw/zinc/51/02/69/894510269.db2.gz OZFOPPQUAYZCFJ-ZYHUDNBSSA-N 2 0 286.376 -1.338 20 0 CAADRP Cn1cc([C@@H]2CN(C(=O)[C@@H]3C[NH2+]CCO3)C[C@H]2[NH3+])cn1 ZINC001549048020 894510299 /nfs/dbraw/zinc/51/02/99/894510299.db2.gz CBIJYOWEGFHKCM-TUAOUCFPSA-N 2 0 279.344 -1.338 20 0 CAADRP [NH3+]CC(=O)NCC(=O)N1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC001549047293 894511288 /nfs/dbraw/zinc/51/12/88/894511288.db2.gz NRCXTQVSVRXDGT-FZMZJTMJSA-N 2 0 298.387 -1.194 20 0 CAADRP [NH3+]CC(=O)NCC(=O)Nc1nc2c(s1)C[C@@H]([NH3+])CC2 ZINC001549046617 894511325 /nfs/dbraw/zinc/51/13/25/894511325.db2.gz XXBQKQCFPKCTTJ-LURJTMIESA-N 2 0 283.357 -1.028 20 0 CAADRP [NH3+]CC(=O)NCC(=O)N1CCCC[C@@H]1[C@H]1C[C@@H]([NH3+])CCO1 ZINC001549132789 894511345 /nfs/dbraw/zinc/51/13/45/894511345.db2.gz SAQJTRIDENTIIJ-QJPTWQEYSA-N 2 0 298.387 -1.051 20 0 CAADRP [NH3+]C[C@@H]1CN(C(=O)[C@]23C[NH2+]C[C@@H]2COC3)CCCO1 ZINC001549124867 894511435 /nfs/dbraw/zinc/51/14/35/894511435.db2.gz XCWSYFPJSWXXEU-WZRBSPASSA-N 2 0 269.345 -1.201 20 0 CAADRP [NH3+]CC(=O)NCC(=O)N1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC001549047292 894511485 /nfs/dbraw/zinc/51/14/85/894511485.db2.gz NRCXTQVSVRXDGT-BXUZGUMPSA-N 2 0 298.387 -1.194 20 0 CAADRP [NH3+]C[C@@H]1CN(C(=O)[C@@]23C[NH2+]C[C@@H]2COC3)CCCO1 ZINC001549124865 894511552 /nfs/dbraw/zinc/51/15/52/894511552.db2.gz XCWSYFPJSWXXEU-NQBHXWOUSA-N 2 0 269.345 -1.201 20 0 CAADRP O=C(NC[C@@H]1C[NH2+]CCCO1)[C@@]12C[NH2+]C[C@H]1COC2 ZINC001549125895 894511770 /nfs/dbraw/zinc/51/17/70/894511770.db2.gz ULXFJALRAMVIOT-GMXVVIOVSA-N 2 0 269.345 -1.283 20 0 CAADRP Cn1cc([C@@H]2CN(C(=O)[C@H]3C[NH2+]CCO3)C[C@H]2[NH3+])cn1 ZINC001549048017 894512192 /nfs/dbraw/zinc/51/21/92/894512192.db2.gz CBIJYOWEGFHKCM-QJPTWQEYSA-N 2 0 279.344 -1.338 20 0 CAADRP [NH3+]C[C@@H]1CN(C(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)CCCO1 ZINC001549048782 894512259 /nfs/dbraw/zinc/51/22/59/894512259.db2.gz GZXLIVGUCIIXGF-NEPJUHHUSA-N 2 0 298.387 -1.179 20 0 CAADRP O=C(N1CC[C@H](N2CC[NH2+]CC2)C1)[C@@]12C[NH2+]C[C@H]1COC2 ZINC001549121275 894512710 /nfs/dbraw/zinc/51/27/10/894512710.db2.gz CSRVPXPPEIHHDE-KCQAQPDRSA-N 2 0 294.399 -1.272 20 0 CAADRP [NH3+]C[C@@H]1CN(C(=O)CNC(=O)[C@@H]2CCC[NH2+]2)CCCO1 ZINC001549048802 894512864 /nfs/dbraw/zinc/51/28/64/894512864.db2.gz HEMFNKJBNPPICJ-MNOVXSKESA-N 2 0 284.360 -1.569 20 0 CAADRP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)NC[C@@H]1C[NH2+]CCCO1 ZINC001549046387 894512884 /nfs/dbraw/zinc/51/28/84/894512884.db2.gz UAPAEEFKYRGFPM-QWRGUYRKSA-N 2 0 284.360 -1.651 20 0 CAADRP CC(C)[C@@H]([NH3+])C(=O)NCC(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC001549046437 894512918 /nfs/dbraw/zinc/51/29/18/894512918.db2.gz YLHALPPKIRPRJI-CMPLNLGQSA-N 2 0 286.376 -1.419 20 0 CAADRP [NH3+]C[C@@H]1CCO[C@@H]1C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC001549290755 894513816 /nfs/dbraw/zinc/51/38/16/894513816.db2.gz FSEFLIFNORCSIW-AVGNSLFASA-N 2 0 282.388 -1.144 20 0 CAADRP [NH3+]C[C@@H]1CCO[C@H]1C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC001549291259 894514234 /nfs/dbraw/zinc/51/42/34/894514234.db2.gz ABQXDBMWUPZZNP-GARJFASQSA-N 2 0 257.334 -1.155 20 0 CAADRP [NH3+]C[C@@H]1CCO[C@@H]1C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC001549291258 894514521 /nfs/dbraw/zinc/51/45/21/894514521.db2.gz ABQXDBMWUPZZNP-DCAQKATOSA-N 2 0 257.334 -1.155 20 0 CAADRP C[C@@H]1C[NH2+]C[C@@H](C(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)O1 ZINC001549286050 894514838 /nfs/dbraw/zinc/51/48/38/894514838.db2.gz QWSVMNIPVSSXOM-AGIUHOORSA-N 2 0 282.388 -1.131 20 0 CAADRP [NH3+]C[C@@H]1CCO[C@H]1C(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC001549290758 894514864 /nfs/dbraw/zinc/51/48/64/894514864.db2.gz FSEFLIFNORCSIW-YNEHKIRRSA-N 2 0 282.388 -1.144 20 0 CAADRP [NH3+]C[C@@H]1CCO[C@H]1C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC001549290756 894514910 /nfs/dbraw/zinc/51/49/10/894514910.db2.gz FSEFLIFNORCSIW-RWMBFGLXSA-N 2 0 282.388 -1.144 20 0 CAADRP [NH3+]C[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@H]2OCC[NH2+][C@@H]2C1 ZINC001549290763 894515121 /nfs/dbraw/zinc/51/51/21/894515121.db2.gz FTWPZMWDFFOJLU-USZNOCQGSA-N 2 0 269.345 -1.061 20 0 CAADRP Cn1cc([C@@H]2CN(C(=O)C3(O)C[NH2+]C3)C[C@@H]2[NH3+])cn1 ZINC001549292159 894515463 /nfs/dbraw/zinc/51/54/63/894515463.db2.gz JNBHQJBQTYYTNC-UWVGGRQHSA-N 2 0 265.317 -1.993 20 0 CAADRP [NH3+]C[C@@H]1CCO[C@@H]1C(=O)N1CC[C@@H]2OCC[NH2+][C@@H]2C1 ZINC001549294534 894515585 /nfs/dbraw/zinc/51/55/85/894515585.db2.gz WUZBJZCHLDCBFF-USZNOCQGSA-N 2 0 269.345 -1.061 20 0 CAADRP Cn1cc([C@H]2CN(C(=O)C3(O)C[NH2+]C3)C[C@H]2[NH3+])cn1 ZINC001549292155 894515773 /nfs/dbraw/zinc/51/57/73/894515773.db2.gz JNBHQJBQTYYTNC-NXEZZACHSA-N 2 0 265.317 -1.993 20 0 CAADRP C[C@@H]1C[NH2+]C[C@@H](C(=O)NC[C@@H]2C[NH2+]CCCO2)O1 ZINC001549286962 894515972 /nfs/dbraw/zinc/51/59/72/894515972.db2.gz KPNUZWMTUIKBCJ-VWYCJHECSA-N 2 0 257.334 -1.142 20 0 CAADRP [NH3+]Cc1cn([C@@H]2CCCN(C(=O)C3(O)C[NH2+]C3)C2)nn1 ZINC001549293808 894516210 /nfs/dbraw/zinc/51/62/10/894516210.db2.gz RKACTDDXBNPECW-SNVBAGLBSA-N 2 0 280.332 -1.765 20 0 CAADRP C[NH+](C)[C@H]1CN(c2nc(N)[nH+]c(N)n2)C[C@@H]1n1ccnn1 ZINC001549560592 894517877 /nfs/dbraw/zinc/51/78/77/894517877.db2.gz VQKSWRXRSVKSDL-YUMQZZPRSA-N 2 0 290.335 -1.381 20 0 CAADRP C[NH2+]CC(=O)N[C@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1 ZINC001549728976 894521183 /nfs/dbraw/zinc/52/11/83/894521183.db2.gz WCEXZKBXDGMNKS-GXFFZTMASA-N 2 0 268.361 -1.031 20 0 CAADRP O=C(NCc1ccncc1O[C@@H]1CC[NH2+]C1)C1(O)C[NH2+]C1 ZINC001549721597 894521730 /nfs/dbraw/zinc/52/17/30/894521730.db2.gz MBBGUJDENQLDLI-LLVKDONJSA-N 2 0 292.339 -1.227 20 0 CAADRP Cn1cnc([C@H]2CN(C(=O)CN3CC[NH2+]CC3)C[C@@H]2[NH3+])c1 ZINC001549737899 894522202 /nfs/dbraw/zinc/52/22/02/894522202.db2.gz PEVJYJPKVUVGKK-RYUDHWBXSA-N 2 0 292.387 -1.422 20 0 CAADRP Cn1cnc([C@@H]2CN(C(=O)[C@H]3C[NH2+]CCOC3)C[C@@H]2[NH3+])c1 ZINC001549745330 894522396 /nfs/dbraw/zinc/52/23/96/894522396.db2.gz YBUYQVCAURELOT-TUAOUCFPSA-N 2 0 293.371 -1.091 20 0 CAADRP Cn1cnc([C@@H]2CN(C(=O)[C@H]3C[NH2+]CCO3)C[C@H]2[NH3+])c1 ZINC001549735428 894523560 /nfs/dbraw/zinc/52/35/60/894523560.db2.gz KSBKRVKOIGDTSN-CKYFFXLPSA-N 2 0 279.344 -1.338 20 0 CAADRP O=C(CN1CC[NH2+]CC1)N1CC[C@H]2OCC[NH2+][C@@H]2C1 ZINC001550061162 894524562 /nfs/dbraw/zinc/52/45/62/894524562.db2.gz WAXBEEXJKNFANR-VXGBXAGGSA-N 2 0 268.361 -1.519 20 0 CAADRP [NH3+][C@@H]1CCO[C@H]1C(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC001550060746 894524791 /nfs/dbraw/zinc/52/47/91/894524791.db2.gz WNUVUIIBVSIKIT-IJLUTSLNSA-N 2 0 268.361 -1.391 20 0 CAADRP [NH3+][C@@H]1CCO[C@H]1C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC001550060747 894525673 /nfs/dbraw/zinc/52/56/73/894525673.db2.gz WNUVUIIBVSIKIT-QJPTWQEYSA-N 2 0 268.361 -1.391 20 0 CAADRP [NH3+][C@@H]1CCO[C@@H]1C(=O)N1CC[C@H]2OCC[NH2+][C@H]2C1 ZINC001550060720 894525776 /nfs/dbraw/zinc/52/57/76/894525776.db2.gz NATHQKLZPAHXIT-YTWAJWBKSA-N 2 0 255.318 -1.308 20 0 CAADRP Cn1cc([C@@H]2CN(C(=O)CN3CC[NH2+]CC3)C[C@@H]2[NH3+])cn1 ZINC001550067746 894525848 /nfs/dbraw/zinc/52/58/48/894525848.db2.gz UJMXUSZDAQFOIJ-STQMWFEESA-N 2 0 292.387 -1.422 20 0 CAADRP Cn1cc([C@@H]2CN(C(=O)[C@@H]3OCC[C@@H]3[NH3+])C[C@H]2[NH3+])cn1 ZINC001550066854 894526248 /nfs/dbraw/zinc/52/62/48/894526248.db2.gz IPKQPMVWMLZFAR-NNYUYHANSA-N 2 0 279.344 -1.211 20 0 CAADRP C[C@@H]1C[NH2+]C[C@H](C(=O)NCc2cn([C@H]3CC[NH2+]C3)nn2)O1 ZINC001550088314 894528549 /nfs/dbraw/zinc/52/85/49/894528549.db2.gz SKYDFKWMFYMPRA-ADEWGFFLSA-N 2 0 294.359 -1.194 20 0 CAADRP [NH3+][C@@H]1C[C@H]1C(=O)NCc1cn([C@H]2CC[NH2+]C2)nn1 ZINC001550087442 894529110 /nfs/dbraw/zinc/52/91/10/894529110.db2.gz USFGIXWDYFODOY-IVZWLZJFSA-N 2 0 250.306 -1.224 20 0 CAADRP C[C@@H]1C[NH2+]C[C@@H](C(=O)N2CC[C@@H](n3cc(C[NH3+])nn3)C2)O1 ZINC001550094945 894529382 /nfs/dbraw/zinc/52/93/82/894529382.db2.gz ASZNWFPKJXXTTB-JLLWLGSASA-N 2 0 294.359 -1.113 20 0 CAADRP [NH3+]CC(=O)NCC(=O)NC[C@H]1CC12CC[NH2+]CC2 ZINC001550085548 894529457 /nfs/dbraw/zinc/52/94/57/894529457.db2.gz IUESMBASFWZJGO-SECBINFHSA-N 2 0 254.334 -1.433 20 0 CAADRP [NH3+]CC(=O)NCC(=O)NCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001550104830 894529659 /nfs/dbraw/zinc/52/96/59/894529659.db2.gz BPKGWMZGRMDMQZ-PBINXNQUSA-N 2 0 254.334 -1.292 20 0 CAADRP [NH3+]Cc1cn([C@@H]2CCN(C(=O)[C@@H]3C[NH2+]CCOC3)C2)nn1 ZINC001550095113 894529683 /nfs/dbraw/zinc/52/96/83/894529683.db2.gz GHROINLZKNFKMG-ZYHUDNBSSA-N 2 0 294.359 -1.254 20 0 CAADRP COC[C@@H]([NH3+])C(=O)N1CC[C@H](N2CC[NH+](C)CC2)C1 ZINC001550116359 894529883 /nfs/dbraw/zinc/52/98/83/894529883.db2.gz MXOOJTSGHSGTNT-NWDGAFQWSA-N 2 0 270.377 -1.192 20 0 CAADRP C[C@]1(C(=O)N2CC[C@@H](n3cc(C[NH3+])nn3)C2)C[NH2+]CCO1 ZINC001550095206 894529932 /nfs/dbraw/zinc/52/99/32/894529932.db2.gz DBRRNNQRJWLBPA-DGCLKSJQSA-N 2 0 294.359 -1.111 20 0 CAADRP C[C@]1(C(=O)N2CC[C@H](n3cc(C[NH3+])nn3)C2)C[NH2+]CCO1 ZINC001550095207 894529991 /nfs/dbraw/zinc/52/99/91/894529991.db2.gz DBRRNNQRJWLBPA-WCQYABFASA-N 2 0 294.359 -1.111 20 0 CAADRP C[C@@H]1C[NH2+]C[C@@H](C(=O)NCc2cn([C@@H]3CC[NH2+]C3)nn2)O1 ZINC001550088318 894530058 /nfs/dbraw/zinc/53/00/58/894530058.db2.gz SKYDFKWMFYMPRA-JLLWLGSASA-N 2 0 294.359 -1.194 20 0 CAADRP C[C@@H]1C[NH2+]C[C@@H](C(=O)N2CC[C@H](n3cc(C[NH3+])nn3)C2)O1 ZINC001550094946 894530215 /nfs/dbraw/zinc/53/02/15/894530215.db2.gz ASZNWFPKJXXTTB-USWWRNFRSA-N 2 0 294.359 -1.113 20 0 CAADRP COC[C@]1(C(=O)NC23CC(C[NH3+])(C2)C3)C[NH2+]CCO1 ZINC001550117932 894531547 /nfs/dbraw/zinc/53/15/47/894531547.db2.gz LDRQJTPTTQZMBR-BPCQOVAHSA-N 2 0 269.345 -1.011 20 0 CAADRP C[NH+]1CCN([C@@H]2CCN(C(=O)CN3CC[NH2+]CC3)C2)CC1 ZINC001550116378 894532059 /nfs/dbraw/zinc/53/20/59/894532059.db2.gz NBNWIXXJGLWIJA-CQSZACIVSA-N 2 0 295.431 -1.260 20 0 CAADRP N[C@@H]1CN(C(=O)N[C@H]2CC[NH2+]C23CCC3)C[C@H]1[NH3+] ZINC001550269516 894533094 /nfs/dbraw/zinc/53/30/94/894533094.db2.gz CNORRCXIILKQJE-BBBLOLIVSA-N 2 0 253.350 -1.049 20 0 CAADRP CO[C@@H](C[NH3+])C(=O)NC1CC[NH+]([C@H]2CCN(C)C2=O)CC1 ZINC001550188850 894533105 /nfs/dbraw/zinc/53/31/05/894533105.db2.gz OWOCZEIVLNADNI-RYUDHWBXSA-N 2 0 298.387 -1.229 20 0 CAADRP CO[C@H](C[NH3+])C(=O)N1CC[C@H](N2CC[NH+](C)CC2)C1 ZINC001550192252 894533229 /nfs/dbraw/zinc/53/32/29/894533229.db2.gz FWQWVINTXCIQJC-NWDGAFQWSA-N 2 0 270.377 -1.192 20 0 CAADRP CO[C@H](C[NH3+])C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC001550182774 894533398 /nfs/dbraw/zinc/53/33/98/894533398.db2.gz QMFJOFISQHRCKH-WDEREUQCSA-N 2 0 256.350 -1.534 20 0 CAADRP N[C@@H]1CN(C(=O)N[C@@H]2CC[NH2+]C23CCC3)C[C@@H]1[NH3+] ZINC001550269517 894533416 /nfs/dbraw/zinc/53/34/16/894533416.db2.gz CNORRCXIILKQJE-KXUCPTDWSA-N 2 0 253.350 -1.049 20 0 CAADRP COC[C@@H]([NH3+])C(=O)N1CC[C@@H](N2CC[NH+](C)CC2)C1 ZINC001550116362 894533494 /nfs/dbraw/zinc/53/34/94/894533494.db2.gz MXOOJTSGHSGTNT-VXGBXAGGSA-N 2 0 270.377 -1.192 20 0 CAADRP CO[C@H](C[NH3+])C(=O)N1C[C@H]([NH3+])[C@@H](c2cnn(C)c2)C1 ZINC001550188587 894533909 /nfs/dbraw/zinc/53/39/09/894533909.db2.gz YTHINROHNSIKGL-OUAUKWLOSA-N 2 0 267.333 -1.353 20 0 CAADRP CN1CC[N@H+](C)CC(C(=O)N2CC[NH+]3C[C@@H](O)C[C@@H]3C2)C1 ZINC001550393296 894534484 /nfs/dbraw/zinc/53/44/84/894534484.db2.gz DWMHVYQJQRNERM-KGLIPLIRSA-N 2 0 296.415 -1.243 20 0 CAADRP CO[C@@H](C[NH3+])C(=O)NC1CC[NH+]([C@@H]2CCN(C)C2=O)CC1 ZINC001550188834 894534728 /nfs/dbraw/zinc/53/47/28/894534728.db2.gz OWOCZEIVLNADNI-NEPJUHHUSA-N 2 0 298.387 -1.229 20 0 CAADRP CNC(=O)[C@@]12C[N@@H+]([C@@H]3C[C@H]([NH3+])C[C@H]3O)C[C@H]1COCC2 ZINC001551405348 894536231 /nfs/dbraw/zinc/53/62/31/894536231.db2.gz ARJXUTZTKXDHKP-ROEYZRMQSA-N 2 0 283.372 -1.079 20 0 CAADRP O=S(=O)(N[C@]12CCC[C@@H]1C[NH2+]C2)N1CC[NH2+]CC1 ZINC001551391856 894536603 /nfs/dbraw/zinc/53/66/03/894536603.db2.gz HHVHTUBEUSMYBX-MNOVXSKESA-N 2 0 274.390 -1.132 20 0 CAADRP O=C(NC[C@@H]1C[NH2+]CCCO1)N1CC[NH2+]C[C@H](O)C1 ZINC001550736339 894536686 /nfs/dbraw/zinc/53/66/86/894536686.db2.gz RDZMTYWSVLDMGC-QWRGUYRKSA-N 2 0 272.349 -1.659 20 0 CAADRP [NH3+][C@]1(CO)CCCN(C(=O)NC[C@@H]2C[NH2+]CCCO2)C1 ZINC001550730264 894536992 /nfs/dbraw/zinc/53/69/92/894536992.db2.gz GNJVIJHVYOUVLA-WCQYABFASA-N 2 0 286.376 -1.140 20 0 CAADRP O=C(NC[C@@H]1C[NH2+]CCCO1)N[C@@H]1C[NH2+]C[C@H]1F ZINC001550732894 894537070 /nfs/dbraw/zinc/53/70/70/894537070.db2.gz VJWGGHRVQXNDFF-IVZWLZJFSA-N 2 0 260.313 -1.026 20 0 CAADRP O=C(NC[C@H]1C[NH2+]CCCO1)N1CC[NH2+]C[C@@H](O)C1 ZINC001550736327 894537478 /nfs/dbraw/zinc/53/74/78/894537478.db2.gz RDZMTYWSVLDMGC-GHMZBOCLSA-N 2 0 272.349 -1.659 20 0 CAADRP O=S(=O)(N[C@@]12CCC[C@@H]1C[NH2+]C2)N1CC[NH2+]CC1 ZINC001551391839 894538136 /nfs/dbraw/zinc/53/81/36/894538136.db2.gz HHVHTUBEUSMYBX-GHMZBOCLSA-N 2 0 274.390 -1.132 20 0 CAADRP [NH3+][C@@]1(CO)CCCN(C(=O)NC[C@H]2C[NH2+]CCCO2)C1 ZINC001550730267 894538281 /nfs/dbraw/zinc/53/82/81/894538281.db2.gz GNJVIJHVYOUVLA-YPMHNXCESA-N 2 0 286.376 -1.140 20 0 CAADRP COC[C@@H]1C[NH2+]CCN1C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC001550731884 894538850 /nfs/dbraw/zinc/53/88/50/894538850.db2.gz PARMOAUYJIGYTA-NWDGAFQWSA-N 2 0 286.376 -1.005 20 0 CAADRP O=C(NC[C@@H]1C[NH2+]CCO1)c1cn([C@@H]2CC[NH2+]C2)nn1 ZINC001552091452 894543247 /nfs/dbraw/zinc/54/32/47/894543247.db2.gz YODTUYHLDZPQLF-ZJUUUORDSA-N 2 0 280.332 -1.469 20 0 CAADRP CO[C@@H]1C[NH2+]C[C@@H]1c1cn(CC(=O)N[C@H](C)[C@H](C)[NH3+])nn1 ZINC001552164191 894543602 /nfs/dbraw/zinc/54/36/02/894543602.db2.gz PRXVAUBVYQRMAK-BTQIBKBOSA-N 2 0 296.375 -1.168 20 0 CAADRP O=C(NC[C@H]1C[NH2+]CCO1)c1cn([C@@H]2CC[NH2+]C2)nn1 ZINC001552091442 894543649 /nfs/dbraw/zinc/54/36/49/894543649.db2.gz YODTUYHLDZPQLF-NXEZZACHSA-N 2 0 280.332 -1.469 20 0 CAADRP O=C(NCCN1CC[NH2+]CC1)c1cn([C@H]2CC[NH2+]C2)nn1 ZINC001552163805 894544071 /nfs/dbraw/zinc/54/40/71/894544071.db2.gz WIKAQDVXXBDDAZ-NSHDSACASA-N 2 0 293.375 -1.553 20 0 CAADRP CN1CCN(C(=O)c2cn([C@H]3CC[NH2+]C3)nn2)[C@@H](C[NH3+])C1 ZINC001552161061 894544134 /nfs/dbraw/zinc/54/41/34/894544134.db2.gz KOARRVFEBZHBSV-QWRGUYRKSA-N 2 0 293.375 -1.473 20 0 CAADRP CO[C@@H]1C[NH2+]C[C@@H]1c1cn(CC(=O)NC(C)(C)C[NH3+])nn1 ZINC001552163945 894544151 /nfs/dbraw/zinc/54/41/51/894544151.db2.gz ZNGGMNGNYLSSKQ-MWLCHTKSSA-N 2 0 296.375 -1.167 20 0 CAADRP CO[C@@H]1C[NH2+]C[C@@H]1c1cn(CC(=O)N[C@@H](C)[C@H](C)[NH3+])nn1 ZINC001552164194 894544189 /nfs/dbraw/zinc/54/41/89/894544189.db2.gz PRXVAUBVYQRMAK-UXCLJVHYSA-N 2 0 296.375 -1.168 20 0 CAADRP CO[C@@H]1C[NH2+]C[C@@H]1c1cn(CC(=O)N(C)CC[NH3+])nn1 ZINC001552089744 894544934 /nfs/dbraw/zinc/54/49/34/894544934.db2.gz IDLDPZTYXMEIKB-MWLCHTKSSA-N 2 0 282.348 -1.603 20 0 CAADRP CO[C@@H]1C[NH2+]C[C@H]1c1cn(CC(=O)N2CC[NH2+]CC2)nn1 ZINC001552163146 894545008 /nfs/dbraw/zinc/54/50/08/894545008.db2.gz ULTZPDPOCSNGEM-CMPLNLGQSA-N 2 0 294.359 -1.588 20 0 CAADRP O=C(N[C@H]1CC[NH2+]C1)c1cn([C@@H]2CC[NH2+]C2)nn1 ZINC001552162568 894545052 /nfs/dbraw/zinc/54/50/52/894545052.db2.gz BKLLPMUWIACSDX-DTWKUNHWSA-N 2 0 250.306 -1.096 20 0 CAADRP CO[C@@H]1C[NH2+]C[C@@H]1c1cn(CC(=O)N[C@@H](C)[C@@H](C)[NH3+])nn1 ZINC001552164193 894545156 /nfs/dbraw/zinc/54/51/56/894545156.db2.gz PRXVAUBVYQRMAK-DTHBNOIPSA-N 2 0 296.375 -1.168 20 0 CAADRP CO[C@H]1C[NH2+]C[C@@H]1c1cn(CC(=O)N(C)CC[NH3+])nn1 ZINC001552089742 894545249 /nfs/dbraw/zinc/54/52/49/894545249.db2.gz IDLDPZTYXMEIKB-KOLCDFICSA-N 2 0 282.348 -1.603 20 0 CAADRP CN(CCN1CC[NH2+]CC1)C(=O)[C@@]12C[NH2+]C[C@H]1COC2 ZINC001552195290 894545281 /nfs/dbraw/zinc/54/52/81/894545281.db2.gz ZNCRCHUHBCRJEP-GXTWGEPZSA-N 2 0 282.388 -1.414 20 0 CAADRP [NH3+]CC1(O)CCN(C(=O)[C@H]2C[NH2+]CCOC2)CC1 ZINC001552089814 894545337 /nfs/dbraw/zinc/54/53/37/894545337.db2.gz GIGWWENNHYRMII-JTQLQIEISA-N 2 0 257.334 -1.465 20 0 CAADRP O=C([C@@H]1C[NH2+]CCOC1)N1CCO[C@H]2C[NH2+]C[C@@H]21 ZINC001552090755 894545441 /nfs/dbraw/zinc/54/54/41/894545441.db2.gz SYQRFGFJCVIFPI-VWYCJHECSA-N 2 0 255.318 -1.578 20 0 CAADRP C[NH+]1CCN(CCNC(=O)[C@]23C[NH2+]C[C@@H]2COC3)CC1 ZINC001552200569 894547616 /nfs/dbraw/zinc/54/76/16/894547616.db2.gz MYRVBMGVRMWRIJ-OCCSQVGLSA-N 2 0 282.388 -1.414 20 0 CAADRP O=C(N1CCN([C@@H]2CC[NH2+]C2)CC1)[C@]12C[NH2+]C[C@@H]1COC2 ZINC001552202527 894547965 /nfs/dbraw/zinc/54/79/65/894547965.db2.gz IKNMAZKJYODHCU-NFAWXSAZSA-N 2 0 294.399 -1.272 20 0 CAADRP [NH3+]C[C@@H]1CN(C(=O)[C@]23C[NH2+]C[C@@H]2COC3)CCO1 ZINC001552202797 894548028 /nfs/dbraw/zinc/54/80/28/894548028.db2.gz PRXYBAJGFYOAPS-FOGDFJRCSA-N 2 0 255.318 -1.592 20 0 CAADRP C[NH+]1CCN(CCNC(=O)[C@@]23C[NH2+]C[C@@H]2COC3)CC1 ZINC001552200571 894548071 /nfs/dbraw/zinc/54/80/71/894548071.db2.gz MYRVBMGVRMWRIJ-TZMCWYRMSA-N 2 0 282.388 -1.414 20 0 CAADRP [NH3+][C@@H]1CN(C(=O)[C@]23C[NH2+]C[C@@H]2COC3)C[C@@H]1n1ccnn1 ZINC001552255681 894550073 /nfs/dbraw/zinc/55/00/73/894550073.db2.gz IXDJWZZRTDRTRO-DCQANWLSSA-N 2 0 292.343 -1.775 20 0 CAADRP [NH3+][C@@H]1CN(C(=O)[C@]23C[NH2+]C[C@@H]2COC3)C[C@H]1n1ccnn1 ZINC001552255683 894550594 /nfs/dbraw/zinc/55/05/94/894550594.db2.gz IXDJWZZRTDRTRO-UZWSLXQKSA-N 2 0 292.343 -1.775 20 0 CAADRP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)[C@@]23C[NH2+]C[C@@H]2COC3)n1 ZINC001552218833 894550760 /nfs/dbraw/zinc/55/07/60/894550760.db2.gz YCEDBMOSTFPUDA-AMIZOPFISA-N 2 0 293.327 -1.507 20 0 CAADRP O=C(NC[C@@H]1C[NH2+]CCO1)[C@]12C[NH2+]C[C@@H]1COC2 ZINC001552203878 894551113 /nfs/dbraw/zinc/55/11/13/894551113.db2.gz IOEFEFPTEZLJTM-SCVCMEIPSA-N 2 0 255.318 -1.673 20 0 CAADRP [NH3+][C@@H]1CN(C(=O)[C@H]2C[NH2+]CCOC2)C[C@@H]1n1ccnn1 ZINC001552256383 894551539 /nfs/dbraw/zinc/55/15/39/894551539.db2.gz KJHCGUNVCUJBJB-AXFHLTTASA-N 2 0 280.332 -1.775 20 0 CAADRP O=C(N[C@@H]1C[NH2+]C[C@@H]1F)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC001552357590 894553499 /nfs/dbraw/zinc/55/34/99/894553499.db2.gz YCYYWVKVBGKSCN-GRYCIOLGSA-N 2 0 285.367 -1.015 20 0 CAADRP O=C(CNC(=O)[C@@H]1CCCC[NH2+]C1)N1CC[NH2+]CC1 ZINC001552392393 894554048 /nfs/dbraw/zinc/55/40/48/894554048.db2.gz KUPIMWIUBPKDOP-LLVKDONJSA-N 2 0 268.361 -1.076 20 0 CAADRP O=C(NC[C@H]1COCC[NH2+]1)c1cn([C@H]2CC[NH2+]C2)nn1 ZINC001552274640 894555281 /nfs/dbraw/zinc/55/52/81/894555281.db2.gz RELBTNOKDUBRGH-UWVGGRQHSA-N 2 0 280.332 -1.469 20 0 CAADRP O=C(NC[C@@H]1COCC[NH2+]1)c1cnnn1C1CC[NH2+]CC1 ZINC001552849555 894556718 /nfs/dbraw/zinc/55/67/18/894556718.db2.gz OPNSFAYZGPFKJG-SNVBAGLBSA-N 2 0 294.359 -1.079 20 0 CAADRP [NH3+][C@@H]1CN(C[C@@H]2CCC3(C[NH2+]C3)O2)C[C@@H]1n1ccnn1 ZINC001552681363 894557226 /nfs/dbraw/zinc/55/72/26/894557226.db2.gz VULOBLVMUBQHES-TUAOUCFPSA-N 2 0 278.360 -1.017 20 0 CAADRP Cc1c(C(=O)N2CCOC[C@H]([NH3+])C2)nnn1[C@H]1CC[NH2+]C1 ZINC001552763613 894557530 /nfs/dbraw/zinc/55/75/30/894557530.db2.gz NBSHDFXSBGAGHK-MNOVXSKESA-N 2 0 294.359 -1.079 20 0 CAADRP O=C(NC[C@H]1C[NH2+]CCO1)c1cnnn1C1CC[NH2+]CC1 ZINC001552440585 894557703 /nfs/dbraw/zinc/55/77/03/894557703.db2.gz DJAXGOUARANBCL-LLVKDONJSA-N 2 0 294.359 -1.079 20 0 CAADRP Cc1c(C(=O)N2CCOC[C@@H]([NH3+])C2)nnn1[C@H]1CC[NH2+]C1 ZINC001552763615 894558141 /nfs/dbraw/zinc/55/81/41/894558141.db2.gz NBSHDFXSBGAGHK-QWRGUYRKSA-N 2 0 294.359 -1.079 20 0 CAADRP O=C(NCCN1CC[NH2+]CC1)[C@@]12C[NH2+]C[C@@H]1CCOC2 ZINC001553350874 894558755 /nfs/dbraw/zinc/55/87/55/894558755.db2.gz JVCCOELEIUAKQT-GXTWGEPZSA-N 2 0 282.388 -1.366 20 0 CAADRP O=C(NCCN1CC[NH2+]CC1)[C@H]1[NH2+]CC12CCOCC2 ZINC001553356364 894558805 /nfs/dbraw/zinc/55/88/05/894558805.db2.gz XEZJWAKFUKFIGL-GFCCVEGCSA-N 2 0 282.388 -1.224 20 0 CAADRP O=C(CNC(=O)[C@@]12C[NH2+]C[C@@H]1COCC2)N1CC[NH2+]CC1 ZINC001553351164 894558862 /nfs/dbraw/zinc/55/88/62/894558862.db2.gz JQRDPTISHGCVRJ-RISCZKNCSA-N 2 0 296.371 -1.840 20 0 CAADRP CNC(=O)CNC(=O)[C@]12C[NH2+]C[C@@H]1C[N@H+](C)CC2 ZINC001553398918 894559152 /nfs/dbraw/zinc/55/91/52/894559152.db2.gz CODIRKQPRLCXOX-BXKDBHETSA-N 2 0 254.334 -1.610 20 0 CAADRP C[N@@H+]1CC[C@]2(C(=O)NCCN3CC[NH2+]CC3)C[NH2+]C[C@H]2C1 ZINC001553355813 894559276 /nfs/dbraw/zinc/55/92/76/894559276.db2.gz VYBPBIFADAXDDV-ZFWWWQNUSA-N 3 0 295.431 -1.451 20 0 CAADRP [NH3+][C@@H]1C[C@@H]2C[N@H+](C[C@@H]3C[C@@]4(CC[NH2+]C4)CO3)CCN2C1=O ZINC001553304921 894559340 /nfs/dbraw/zinc/55/93/40/894559340.db2.gz PABKHVZTTVURHU-QVHKTLOISA-N 3 0 294.399 -1.001 20 0 CAADRP CN(CCN1CC[NH2+]CC1)C(=O)[C@]12C[NH2+]C[C@@H]1COCC2 ZINC001553353404 894559373 /nfs/dbraw/zinc/55/93/73/894559373.db2.gz LYFQIBJXRSEHGY-UKRRQHHQSA-N 2 0 296.415 -1.024 20 0 CAADRP CN1CC[C@]2(C(=O)N3CC[NH2+]CC3)C[NH2+]C[C@H]2C1 ZINC001553348686 894559891 /nfs/dbraw/zinc/55/98/91/894559891.db2.gz LNDBAAULEKXZHX-AAEUAGOBSA-N 2 0 252.362 -1.041 20 0 CAADRP CN(C)C(=O)CNC(=O)[C@]12C[NH2+]C[C@H]1C[N@H+](C)CC2 ZINC001553377837 894560262 /nfs/dbraw/zinc/56/02/62/894560262.db2.gz YBSGWJJEADKUFG-GXFFZTMASA-N 2 0 268.361 -1.268 20 0 CAADRP C[N@@H+]1CC[C@@]2(C(=O)NCC(=O)NC3CC3)C[NH2+]C[C@H]2C1 ZINC001553372859 894560483 /nfs/dbraw/zinc/56/04/83/894560483.db2.gz SLPHMKQWTCMDDC-IINYFYTJSA-N 2 0 280.372 -1.078 20 0 CAADRP CN(C)C(=O)CNC(=O)[C@@]12C[NH2+]C[C@H]1C[N@H+](C)CC2 ZINC001553377823 894560893 /nfs/dbraw/zinc/56/08/93/894560893.db2.gz YBSGWJJEADKUFG-GWCFXTLKSA-N 2 0 268.361 -1.268 20 0 CAADRP C[N@@H+]1CC[C@@]2(C(=O)NCCN3CC[NH2+]CC3)C[NH2+]C[C@@H]2C1 ZINC001553355812 894560926 /nfs/dbraw/zinc/56/09/26/894560926.db2.gz VYBPBIFADAXDDV-UKRRQHHQSA-N 3 0 295.431 -1.451 20 0 CAADRP C[N@@H+]1CC[C@]2(C(=O)NCC(=O)NC3CC3)C[NH2+]C[C@H]2C1 ZINC001553372850 894560944 /nfs/dbraw/zinc/56/09/44/894560944.db2.gz SLPHMKQWTCMDDC-HZMBPMFUSA-N 2 0 280.372 -1.078 20 0 CAADRP O=C(NCCN1CC[NH2+]CC1)[C@]12C[NH2+]C[C@H]1CCOC2 ZINC001553350880 894561350 /nfs/dbraw/zinc/56/13/50/894561350.db2.gz JVCCOELEIUAKQT-OCCSQVGLSA-N 2 0 282.388 -1.366 20 0 CAADRP CNC(=O)CNC(=O)[C@]12C[NH2+]C[C@H]1C[N@H+](C)CC2 ZINC001553398920 894561368 /nfs/dbraw/zinc/56/13/68/894561368.db2.gz CODIRKQPRLCXOX-JOYOIKCWSA-N 2 0 254.334 -1.610 20 0 CAADRP CN(CCN1CC[NH2+]CC1)C(=O)[C@]12C[NH2+]C[C@@H]1CCOC2 ZINC001553353412 894561505 /nfs/dbraw/zinc/56/15/05/894561505.db2.gz MLNIHWOISKIGNR-ZFWWWQNUSA-N 2 0 296.415 -1.024 20 0 CAADRP CN(C)C(=O)CNC(=O)[C@]12C[NH2+]C[C@@H]1C[N@H+](C)CC2 ZINC001553377845 894561866 /nfs/dbraw/zinc/56/18/66/894561866.db2.gz YBSGWJJEADKUFG-ZWNOBZJWSA-N 2 0 268.361 -1.268 20 0 CAADRP C[N@@H+]1CC[C@@]2(C(=O)NCC(=O)NC3CC3)C[NH2+]C[C@@H]2C1 ZINC001553372863 894562078 /nfs/dbraw/zinc/56/20/78/894562078.db2.gz SLPHMKQWTCMDDC-QMTHXVAHSA-N 2 0 280.372 -1.078 20 0 CAADRP [NH3+]C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3OCC[C@@H]3[NH2+]2)CCO1 ZINC001553405785 894563303 /nfs/dbraw/zinc/56/33/03/894563303.db2.gz DLHYEGKVMVMPSP-RCWTZXSCSA-N 2 0 255.318 -1.308 20 0 CAADRP C[NH+]1CCN(CCNC(=O)[C@@H]2C[C@@H]3OCC[C@@H]3[NH2+]2)CC1 ZINC001553412059 894563331 /nfs/dbraw/zinc/56/33/31/894563331.db2.gz SVLIGTNYVJADDQ-AVGNSLFASA-N 2 0 282.388 -1.131 20 0 CAADRP O=C(NC[C@@H]1COCC[NH2+]1)[C@@H]1C[C@H]2OCC[C@@H]2[NH2+]1 ZINC001553425776 894563501 /nfs/dbraw/zinc/56/35/01/894563501.db2.gz UJODRXLHWAPTPC-VPOLOUISSA-N 2 0 255.318 -1.390 20 0 CAADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)[C@@H]1C[C@@H]2OCC[C@H]2[NH2+]1 ZINC001553410700 894563722 /nfs/dbraw/zinc/56/37/22/894563722.db2.gz PDXJAETUOLGYAY-NDBYEHHHSA-N 2 0 282.388 -1.132 20 0 CAADRP O=C([C@@H]1C[C@@H]2OCC[C@H]2[NH2+]1)N1CC[NH2+]C[C@H](O)C1 ZINC001553429121 894563905 /nfs/dbraw/zinc/56/39/05/894563905.db2.gz POQBDMDBQYBHFZ-VLEAKVRGSA-N 2 0 255.318 -1.702 20 0 CAADRP C[NH+](C)[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3OCC[C@H]3[NH2+]2)C[C@H]1O ZINC001553416831 894564013 /nfs/dbraw/zinc/56/40/13/894564013.db2.gz CNNWVNVDSJTDHG-ROHXPCBUSA-N 2 0 269.345 -1.361 20 0 CAADRP O=C(N[C@@H]1COC2(C[NH2+]C2)C1)[C@@H]1C[C@H]2OCC[C@@H]2[NH2+]1 ZINC001553426519 894564180 /nfs/dbraw/zinc/56/41/80/894564180.db2.gz WUZLHYSDNYAOLC-XWLWVQCSSA-N 2 0 267.329 -1.247 20 0 CAADRP [NH3+]C[C@@H]1CN(C(=O)[C@@H]2C[C@H]3OCC[C@H]3[NH2+]2)CCO1 ZINC001553405784 894564451 /nfs/dbraw/zinc/56/44/51/894564451.db2.gz DLHYEGKVMVMPSP-CHWFTXMASA-N 2 0 255.318 -1.308 20 0 CAADRP O=C(NC[C@@H]1C[NH2+]CCO1)[C@@H]1C[C@H]2OCC[C@@H]2[NH2+]1 ZINC001553408018 894564611 /nfs/dbraw/zinc/56/46/11/894564611.db2.gz IWYJEQWUXDVFKJ-XWLWVQCSSA-N 2 0 255.318 -1.390 20 0 CAADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)[C@@H]1C[C@H]2OCC[C@@H]2[NH2+]1 ZINC001553410695 894564979 /nfs/dbraw/zinc/56/49/79/894564979.db2.gz PDXJAETUOLGYAY-MROQNXINSA-N 2 0 282.388 -1.132 20 0 CAADRP O=C(NC[C@@H]1COCC[NH2+]1)[C@@H]1C[C@@H]2OCC[C@H]2[NH2+]1 ZINC001553425779 894565007 /nfs/dbraw/zinc/56/50/07/894565007.db2.gz UJODRXLHWAPTPC-ZNSHCXBVSA-N 2 0 255.318 -1.390 20 0 CAADRP O=C(N[C@@H]1COC2(C[NH2+]C2)C1)[C@@H]1C[C@@H]2OCC[C@@H]2[NH2+]1 ZINC001553426516 894565030 /nfs/dbraw/zinc/56/50/30/894565030.db2.gz WUZLHYSDNYAOLC-NAKRPEOUSA-N 2 0 267.329 -1.247 20 0 CAADRP O=C(N[C@@H]1COC2(C[NH2+]C2)C1)[C@@H]1C[C@@H]2OCC[C@H]2[NH2+]1 ZINC001553426518 894565453 /nfs/dbraw/zinc/56/54/53/894565453.db2.gz WUZLHYSDNYAOLC-VLEAKVRGSA-N 2 0 267.329 -1.247 20 0 CAADRP [NH3+][C@@H]1COCCN(C(=O)[C@@H]2C[C@@H]3OCC[C@H]3[NH2+]2)C1 ZINC001553429820 894565466 /nfs/dbraw/zinc/56/54/66/894565466.db2.gz LECGKECDPZQDDC-VLEAKVRGSA-N 2 0 255.318 -1.308 20 0 CAADRP O=C(N[C@@H]1COC2(C[NH2+]C2)C1)[C@@H]1C[C@H]2OCC[C@H]2[NH2+]1 ZINC001553426522 894565520 /nfs/dbraw/zinc/56/55/20/894565520.db2.gz WUZLHYSDNYAOLC-ZRUFSTJUSA-N 2 0 267.329 -1.247 20 0 CAADRP C[NH+](C)[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3OCC[C@@H]3[NH2+]2)C[C@H]1O ZINC001553416809 894565552 /nfs/dbraw/zinc/56/55/52/894565552.db2.gz CNNWVNVDSJTDHG-HGCLJGPKSA-N 2 0 269.345 -1.361 20 0 CAADRP O=C(NC[C@@H]1C[NH2+]CCO1)[C@@H]1C[C@@H]2OCC[C@H]2[NH2+]1 ZINC001553408015 894565624 /nfs/dbraw/zinc/56/56/24/894565624.db2.gz IWYJEQWUXDVFKJ-VLEAKVRGSA-N 2 0 255.318 -1.390 20 0 CAADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)[C@@H]1C[C@H]2OCC[C@H]2[NH2+]1 ZINC001553410691 894565828 /nfs/dbraw/zinc/56/58/28/894565828.db2.gz PDXJAETUOLGYAY-FVCCEPFGSA-N 2 0 282.388 -1.132 20 0 CAADRP C[N@@H+]1C[C@@H](O)[C@@H](NC(=O)C2C[NH+](C3CCOCC3)C2)C1 ZINC001553649502 894567322 /nfs/dbraw/zinc/56/73/22/894567322.db2.gz ONPJLHWYIPQHRV-QWHCGFSZSA-N 2 0 283.372 -1.112 20 0 CAADRP [NH3+][C@H]1CN(C(=O)NCC(=O)N2CC[NH2+]CC2)CC12CCC2 ZINC001553491481 894567545 /nfs/dbraw/zinc/56/75/45/894567545.db2.gz KQKLBNCENBJDSX-NSHDSACASA-N 2 0 295.387 -1.059 20 0 CAADRP N[C@@H]1CN(C(=O)N[C@]23CCC[C@H]2C[NH2+]C3)C[C@@H]1[NH3+] ZINC001553529190 894567750 /nfs/dbraw/zinc/56/77/50/894567750.db2.gz PNBXDRQRSMIHSS-GUDRVLHUSA-N 2 0 253.350 -1.192 20 0 CAADRP CN1CC[N@H+](C)CC(C(=O)N[C@H]2C[NH+](C)C[C@@H]2O)C1 ZINC001553647655 894567860 /nfs/dbraw/zinc/56/78/60/894567860.db2.gz HDBRWJAMVTUHKQ-RYUDHWBXSA-N 2 0 270.377 -1.729 20 0 CAADRP [NH3+][C@@H]1CN(C(=O)[C@@H]2C[C@@H]3OCC[C@@H]3[NH2+]2)C[C@@H]1n1ccnn1 ZINC001553437074 894568058 /nfs/dbraw/zinc/56/80/58/894568058.db2.gz YGXFQECYXJBQGH-DGORSVRFSA-N 2 0 292.343 -1.492 20 0 CAADRP O=C(CNC(=O)N1CCC[C@@]12CC[NH2+]C2)N1CC[NH2+]CC1 ZINC001553491499 894568098 /nfs/dbraw/zinc/56/80/98/894568098.db2.gz LCDURYCALIWZPN-AWEZNQCLSA-N 2 0 295.387 -1.044 20 0 CAADRP [NH3+][C@@]12CC[C@H]1CN(C(=O)NCC(=O)N1CC[NH2+]CC1)C2 ZINC001553488326 894568252 /nfs/dbraw/zinc/56/82/52/894568252.db2.gz BTDGJGNGDWHBRW-GXFFZTMASA-N 2 0 281.360 -1.449 20 0 CAADRP [NH3+][C@]1(CO)CCCN(C(=O)[C@@H]2C[C@@H]3OCC[C@H]3[NH2+]2)C1 ZINC001553437840 894568934 /nfs/dbraw/zinc/56/89/34/894568934.db2.gz ZUKMHRJPHCIEKX-MPPDQPJWSA-N 2 0 269.345 -1.182 20 0 CAADRP [NH3+][C@]1(CO)CCCN(C(=O)[C@@H]2C[C@@H]3OCC[C@@H]3[NH2+]2)C1 ZINC001553437842 894569098 /nfs/dbraw/zinc/56/90/98/894569098.db2.gz ZUKMHRJPHCIEKX-MRBYEJRBSA-N 2 0 269.345 -1.182 20 0 CAADRP [NH3+][C@]12CC[C@H]1CN(C(=O)NCC(=O)N1CC[NH2+]CC1)C2 ZINC001553488306 894569169 /nfs/dbraw/zinc/56/91/69/894569169.db2.gz BTDGJGNGDWHBRW-GWCFXTLKSA-N 2 0 281.360 -1.449 20 0 CAADRP [NH3+][C@@H]1CN(C(=O)NCC(=O)N2CC[NH2+]CC2)CC12CCC2 ZINC001553491480 894569560 /nfs/dbraw/zinc/56/95/60/894569560.db2.gz KQKLBNCENBJDSX-LLVKDONJSA-N 2 0 295.387 -1.059 20 0 CAADRP C[NH+](C)CCN1C[C@@H](C(=O)N[C@H]2CC[NH2+]C2)CC1=O ZINC000126955181 230175758 /nfs/dbraw/zinc/17/57/58/230175758.db2.gz IBPHFILMMIRKMB-QWRGUYRKSA-N 2 0 268.361 -1.125 20 0 CAADRP C[NH+](C)CCN1C[C@@H](C(=O)N[C@@H]2CC[NH2+]C2)CC1=O ZINC000126954721 230176628 /nfs/dbraw/zinc/17/66/28/230176628.db2.gz IBPHFILMMIRKMB-WDEREUQCSA-N 2 0 268.361 -1.125 20 0 CAADRP [NH3+]CC(=O)NCC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000252433687 230219376 /nfs/dbraw/zinc/21/93/76/230219376.db2.gz RASZEDURKWUORI-NXEZZACHSA-N 2 0 254.334 -1.196 20 0 CAADRP O=C(C[NH2+]C[C@H]1CCCO1)N1CCN(CCO)CC1 ZINC000262361213 230228421 /nfs/dbraw/zinc/22/84/21/230228421.db2.gz KLJWAHPMUZIXQN-GFCCVEGCSA-N 2 0 271.361 -1.109 20 0 CAADRP O=C(CN1CCNCC1=O)N1CCN(CCO)CC1 ZINC000262405285 230228443 /nfs/dbraw/zinc/22/84/43/230228443.db2.gz PXLBRGOPGOJGFO-UHFFFAOYSA-N 2 0 270.333 -2.445 20 0 CAADRP COCC[N@H+](C)CCNC(=O)C(=O)N1CC[NH2+][C@@H](C)C1 ZINC000419366587 230253801 /nfs/dbraw/zinc/25/38/01/230253801.db2.gz ZLDCUDVQPWMWAY-NSHDSACASA-N 2 0 286.376 -1.499 20 0 CAADRP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)NCC[C@H]1CC[NH2+]C1 ZINC000573367223 334931611 /nfs/dbraw/zinc/93/16/11/334931611.db2.gz NPWZFRSAVGGIGP-MNOVXSKESA-N 2 0 268.361 -1.030 20 0 CAADRP C[C@H](CNC(=O)COC1C[NH2+]C1)N1CC[NH+](C)CC1 ZINC000431009990 230309761 /nfs/dbraw/zinc/30/97/61/230309761.db2.gz LYPAUFGQCMGDOB-LLVKDONJSA-N 2 0 270.377 -1.273 20 0 CAADRP NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C[C@@H]1C[NH2+]CCO1 ZINC000430900286 230312986 /nfs/dbraw/zinc/31/29/86/230312986.db2.gz PGUWBFPIHDYCCH-NEPJUHHUSA-N 2 0 298.387 -1.179 20 0 CAADRP O[C@@H]1C[NH+](CCCCC[N@@H+]2C[C@@H](O)[C@@H](O)C2)C[C@H]1O ZINC000444710244 230337416 /nfs/dbraw/zinc/33/74/16/230337416.db2.gz USGZRCGDMMGZDG-LPWJVIDDSA-N 2 0 274.361 -1.769 20 0 CAADRP CN1C[C@@H]([NH2+][C@H]2CC(=O)N(CC[NH+](C)C)C2=O)CCC1=O ZINC000573455286 334939140 /nfs/dbraw/zinc/93/91/40/334939140.db2.gz GVXMERVLQHCECB-QWRGUYRKSA-N 2 0 296.371 -1.114 20 0 CAADRP C[C@@H](CNC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1)[NH+](C)C ZINC000573459814 334939949 /nfs/dbraw/zinc/93/99/49/334939949.db2.gz ORLFOULTWGSWNP-GARJFASQSA-N 2 0 283.376 -1.110 20 0 CAADRP C[C@@H](CNC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1)[NH+](C)C ZINC000573459811 334939992 /nfs/dbraw/zinc/93/99/92/334939992.db2.gz ORLFOULTWGSWNP-AXFHLTTASA-N 2 0 283.376 -1.110 20 0 CAADRP C[N@@H+]1CC[C@@H]2CCN(C(=O)C(=O)N3CC[NH2+]CC3)[C@@H]2C1 ZINC000423558007 529796680 /nfs/dbraw/zinc/79/66/80/529796680.db2.gz IVGXHFASTVPLOQ-VXGBXAGGSA-N 2 0 280.372 -1.029 20 0 CAADRP C[N@@H+]1CC[C@@H]2CCN(C(=O)C(=O)N3CC[NH2+]CC3)[C@H]2C1 ZINC000423558000 529796692 /nfs/dbraw/zinc/79/66/92/529796692.db2.gz IVGXHFASTVPLOQ-NEPJUHHUSA-N 2 0 280.372 -1.029 20 0 CAADRP CNc1nc(NCC[NH+](C)C)nc(NCC[NH+](C)C)n1 ZINC000358468649 529833409 /nfs/dbraw/zinc/83/34/09/529833409.db2.gz INJVIPRSSWZDAG-UHFFFAOYSA-N 2 0 282.396 -1.874 20 0 CAADRP C[N@H+](CCC(=O)N1CC[NH2+]CC1)CC(=O)N1CCOCC1 ZINC000262148710 529870552 /nfs/dbraw/zinc/87/05/52/529870552.db2.gz PCUSANLOOUVGAI-UHFFFAOYSA-N 2 0 298.387 -1.401 20 0 CAADRP CN(CC[N@H+](C)C1CC1)C(=O)C(=O)N1CC[NH2+]CC1 ZINC000423529770 529900707 /nfs/dbraw/zinc/90/07/07/529900707.db2.gz VTYVAMCFANACLR-UHFFFAOYSA-N 2 0 268.361 -1.029 20 0 CAADRP O[C@@H]1C[C@H](O)C[NH+](CCCC[N@H+]2C[C@H](O)C[C@H](O)C2)C1 ZINC000674497859 545598568 /nfs/dbraw/zinc/59/85/68/545598568.db2.gz LXWJOZCSQSVNLW-KPWCQOOUSA-N 2 0 288.388 -1.378 20 0 CAADRP 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 545598880 /nfs/dbraw/zinc/59/88/80/545598880.db2.gz DFDUAOXDIGMPGT-DFNZGJFHSA-N 2 0 286.372 -1.602 20 0 CAADRP CNC(=O)NC(=O)CC[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000038031427 283345230 /nfs/dbraw/zinc/34/52/30/283345230.db2.gz WUVHPABUBMZVRR-UHFFFAOYSA-N 2 0 285.348 -1.804 20 0 CAADRP CO[C@@H]1C[NH2+][C@@H](C(=O)NCCCN2CC[NH2+]CC2)C1 ZINC000574191959 334999107 /nfs/dbraw/zinc/99/91/07/334999107.db2.gz ORFBRQQJYKWBAH-NWDGAFQWSA-N 2 0 270.377 -1.225 20 0 CAADRP O=C(CNC(=O)[C@H]1CCC[NH2+]1)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000583992871 372786861 /nfs/dbraw/zinc/78/68/61/372786861.db2.gz JNIFRHIANHEMPN-GRYCIOLGSA-N 2 0 280.372 -1.078 20 0 CAADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)NC1C[NH2+]C1 ZINC000642758444 372820756 /nfs/dbraw/zinc/82/07/56/372820756.db2.gz NHTCIDNDSMCFCC-NSHDSACASA-N 2 0 284.360 -1.699 20 0 CAADRP C[C@@H]1C[C@H](NC(=O)C(=O)NC2C[NH2+]C2)C[N@@H+]1C1CC1 ZINC000642718073 372807114 /nfs/dbraw/zinc/80/71/14/372807114.db2.gz AQDQRJQRZLTVSS-BDAKNGLRSA-N 2 0 266.345 -1.184 20 0 CAADRP C[NH+](C)CC(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000167923255 372807724 /nfs/dbraw/zinc/80/77/24/372807724.db2.gz JZWHJMJEXSKWHI-JTQLQIEISA-N 2 0 256.350 -1.139 20 0 CAADRP C[C@H]1C[C@@H](NC(=O)C(=O)NC2C[NH2+]C2)C[N@@H+]1C1CC1 ZINC000642718074 372807924 /nfs/dbraw/zinc/80/79/24/372807924.db2.gz AQDQRJQRZLTVSS-DTWKUNHWSA-N 2 0 266.345 -1.184 20 0 CAADRP CC[NH2+][C@H](C)CNC(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000584052664 372813588 /nfs/dbraw/zinc/81/35/88/372813588.db2.gz YGJYHHDVDDUJNM-NXEZZACHSA-N 2 0 256.350 -1.031 20 0 CAADRP [NH3+]C[C@H]1CN(C(=O)C[NH2+]C[C@H]2CCCO2)CCO1 ZINC000584052377 372814767 /nfs/dbraw/zinc/81/47/67/372814767.db2.gz HFWKCDSOVOQAPJ-MNOVXSKESA-N 2 0 257.334 -1.059 20 0 CAADRP [NH3+]C[C@H]1CN(C(=O)C[NH2+]C[C@@H]2CCCO2)CCO1 ZINC000584052378 372814999 /nfs/dbraw/zinc/81/49/99/372814999.db2.gz HFWKCDSOVOQAPJ-QWRGUYRKSA-N 2 0 257.334 -1.059 20 0 CAADRP COCC[N@H+](C)CCNC(=O)C(=O)N[C@H](C)C[C@@H](C)[NH3+] ZINC000584053730 372815302 /nfs/dbraw/zinc/81/53/02/372815302.db2.gz WGIBBGAPPAXSMM-GHMZBOCLSA-N 2 0 288.392 -1.077 20 0 CAADRP [NH3+]CCCN(CCC[NH3+])S(=O)(=O)C1COC1 ZINC000624368839 372855125 /nfs/dbraw/zinc/85/51/25/372855125.db2.gz ZHQZAWXZWFXTEF-UHFFFAOYSA-N 2 0 251.352 -1.285 20 0 CAADRP O[C@@H](CN1CCOCC1)C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000311017652 372843698 /nfs/dbraw/zinc/84/36/98/372843698.db2.gz LBIFMAFSIXLLDC-XQQFMLRXSA-N 2 0 255.362 -1.169 20 0 CAADRP O=C(NC1C[NH2+]C1)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000642786001 372844542 /nfs/dbraw/zinc/84/45/42/372844542.db2.gz WMTKAKORMHBAHG-JTQLQIEISA-N 2 0 266.345 -1.325 20 0 CAADRP O=C(C[NH2+]C[C@@H]1CCCO1)NCCN1CC[NH2+]CC1 ZINC000125718231 372847194 /nfs/dbraw/zinc/84/71/94/372847194.db2.gz YKBDZVQHTLUIGZ-LBPRGKRZSA-N 2 0 270.377 -1.224 20 0 CAADRP O=C(C[NH2+]C[C@H]1CCCO1)NCCN1CC[NH2+]CC1 ZINC000125718000 372847447 /nfs/dbraw/zinc/84/74/47/372847447.db2.gz YKBDZVQHTLUIGZ-GFCCVEGCSA-N 2 0 270.377 -1.224 20 0 CAADRP O=C(CNC(=O)[C@@]12CCC[C@@H]1C[NH2+]C2)N1CC[NH2+]CC1 ZINC000557169048 372850520 /nfs/dbraw/zinc/85/05/20/372850520.db2.gz PJDMVNGLNOUKBP-BXUZGUMPSA-N 2 0 280.372 -1.076 20 0 CAADRP C[NH+]1CCC2(CC1)CN(c1nc(N)[nH+]c(N)n1)CCO2 ZINC000624336462 372853439 /nfs/dbraw/zinc/85/34/39/372853439.db2.gz RQMCLIPZFGFDNJ-UHFFFAOYSA-N 2 0 279.348 -1.002 20 0 CAADRP CC(C)[C@H]([NH3+])C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000574414429 335018072 /nfs/dbraw/zinc/01/80/72/335018072.db2.gz RIOYHDZNIDMRTB-UTLUCORTSA-N 2 0 254.334 -1.260 20 0 CAADRP COCCS(=O)(=O)N(CCC[NH3+])CCC[NH3+] ZINC000624369579 372856987 /nfs/dbraw/zinc/85/69/87/372856987.db2.gz IHSAGUXTDHZWRN-UHFFFAOYSA-N 2 0 253.368 -1.038 20 0 CAADRP CNC(=O)NC(=O)CC[N@H+](C)CCOCC[NH2+]C ZINC000600728321 372892280 /nfs/dbraw/zinc/89/22/80/372892280.db2.gz OYETUSMVXBQWKW-UHFFFAOYSA-N 2 0 260.338 -1.000 20 0 CAADRP CNC(=O)NC(=O)[C@@H](C)[N@H+](C)CCOCC[NH2+]C ZINC000600729174 372893393 /nfs/dbraw/zinc/89/33/93/372893393.db2.gz FETSDMMAKJFQAS-SECBINFHSA-N 2 0 260.338 -1.002 20 0 CAADRP COC[C@]1(C(=O)NCCN2CC[NH+](C)CC2)CC[NH2+]C1 ZINC000380821629 372899993 /nfs/dbraw/zinc/89/99/93/372899993.db2.gz GDMGEWGGFHPOAS-AWEZNQCLSA-N 2 0 284.404 -1.024 20 0 CAADRP Nc1nc(NC[C@H](O)C[NH+]2CCCCC2)nc(N)[nH+]1 ZINC000623858412 372903621 /nfs/dbraw/zinc/90/36/21/372903621.db2.gz LEHVQOSAMXNLJL-QMMMGPOBSA-N 2 0 267.337 -1.623 20 0 CAADRP C[C@H]([NH3+])CNC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000642909306 372920998 /nfs/dbraw/zinc/92/09/98/372920998.db2.gz KHPMIEZPTKCAHX-NSHDSACASA-N 3 0 287.408 -1.598 20 0 CAADRP O=C(NC1C[NH2+]C1)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000562825468 372952224 /nfs/dbraw/zinc/95/22/24/372952224.db2.gz NMEWHOIKTYZEDP-GHMZBOCLSA-N 2 0 266.345 -1.183 20 0 CAADRP COC[C@]1(C(=O)NC[C@@H]2C[NH2+]CCO2)CCC[NH2+]1 ZINC000643801266 372935278 /nfs/dbraw/zinc/93/52/78/372935278.db2.gz VHRGKIHEBVWGNQ-JQWIXIFHSA-N 2 0 257.334 -1.140 20 0 CAADRP [NH3+][C@@H]1C[C@H]2CN(C(=O)CCOC3C[NH2+]C3)CCN2C1=O ZINC000583452189 372961364 /nfs/dbraw/zinc/96/13/64/372961364.db2.gz WIXDWUNGMCGLCT-GXSJLCMTSA-N 2 0 282.344 -1.865 20 0 CAADRP C[NH+](C)[C@H]1CN(C(=O)[C@@H]2C[N@@H+]3CCC[C@H]3CO2)C[C@@H]1O ZINC000635948167 372977032 /nfs/dbraw/zinc/97/70/32/372977032.db2.gz JRLIIRRPHPMZCI-CYDGBPFRSA-N 2 0 283.372 -1.017 20 0 CAADRP C[NH+](C)[C@H]1CN(C(=O)[C@H]2C[N@@H+]3CCC[C@@H]3CO2)C[C@@H]1O ZINC000635948168 372977054 /nfs/dbraw/zinc/97/70/54/372977054.db2.gz JRLIIRRPHPMZCI-MROQNXINSA-N 2 0 283.372 -1.017 20 0 CAADRP CN1CCN(C(=O)COC2CC[NH2+]CC2)[C@@H](C[NH3+])C1 ZINC000570396106 372992332 /nfs/dbraw/zinc/99/23/32/372992332.db2.gz XDOWBRDRKHPXID-NSHDSACASA-N 2 0 270.377 -1.144 20 0 CAADRP COCC[N@H+](C)CCNC(=O)C(=O)N(C)CCC[NH3+] ZINC000570528870 372997028 /nfs/dbraw/zinc/99/70/28/372997028.db2.gz KLXXMQZIPOTGNV-UHFFFAOYSA-N 2 0 274.365 -1.512 20 0 CAADRP C[C@H](CC[NH+](C)C)NC(=O)C(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000580054939 373011171 /nfs/dbraw/zinc/01/11/71/373011171.db2.gz PLDGQZIPLKPMRD-NEPJUHHUSA-N 2 0 299.419 -1.456 20 0 CAADRP CN1CCN(C(=O)NCC(F)(F)CN)[C@H](C[NH3+])C1 ZINC000574426982 335019097 /nfs/dbraw/zinc/01/90/97/335019097.db2.gz VUQYGKUDEQSYLV-MRVPVSSYSA-N 3 0 265.308 -1.135 20 0 CAADRP CN(CCC(=O)N1CC[NH2+]CC1)[C@H]1C[NH2+]C[C@@H]1O ZINC000570802236 373002063 /nfs/dbraw/zinc/00/20/63/373002063.db2.gz BKCZHJLWDJZYEO-QWRGUYRKSA-N 2 0 256.350 -1.927 20 0 CAADRP CN(C(=O)CNC(=O)[C@@H]1CCC[NH2+]1)C1CC([NH3+])C1 ZINC000570800246 373002412 /nfs/dbraw/zinc/00/24/12/373002412.db2.gz IUONSJFGMKLUQA-RTBKNWGFSA-N 2 0 254.334 -1.197 20 0 CAADRP COCC[N@H+](C)CCNC(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000580052139 373009697 /nfs/dbraw/zinc/00/96/97/373009697.db2.gz IVAJEDLSXKFSEP-GFCCVEGCSA-N 3 0 287.408 -1.151 20 0 CAADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CCO[C@H](C[NH3+])C1 ZINC000569811732 372983297 /nfs/dbraw/zinc/98/32/97/372983297.db2.gz XTHUVXJNKWCIOU-KOLCDFICSA-N 2 0 272.349 -1.728 20 0 CAADRP O=C(C[NH2+]C[C@H]1CCCO1)NCC(=O)N1CC[NH2+]CC1 ZINC000569802843 372983531 /nfs/dbraw/zinc/98/35/31/372983531.db2.gz NELGVNDSRPNENR-LLVKDONJSA-N 2 0 284.360 -1.697 20 0 CAADRP CN1CC[NH2+]C[C@H]1CNC(=O)C[C@@H]1C[NH2+]CCO1 ZINC000569843674 372984768 /nfs/dbraw/zinc/98/47/68/372984768.db2.gz LIVCYVSPHIFSIP-WDEREUQCSA-N 2 0 256.350 -1.615 20 0 CAADRP [NH3+][C@@H](CNC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1)C1CC1 ZINC000569989685 372984995 /nfs/dbraw/zinc/98/49/95/372984995.db2.gz PAVYSLZKDKQMEN-MXWKQRLJSA-N 2 0 281.360 -1.323 20 0 CAADRP CN1CC[NH2+]C[C@@H]1CNC(=O)C[C@H]1C[NH2+]CCO1 ZINC000569843672 372986027 /nfs/dbraw/zinc/98/60/27/372986027.db2.gz LIVCYVSPHIFSIP-MNOVXSKESA-N 2 0 256.350 -1.615 20 0 CAADRP O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000570041973 372987065 /nfs/dbraw/zinc/98/70/65/372987065.db2.gz NBMRKASYFYUTIB-TUAOUCFPSA-N 2 0 280.372 -1.078 20 0 CAADRP COCC[N@H+](C)CCNC(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000580052140 373010764 /nfs/dbraw/zinc/01/07/64/373010764.db2.gz IVAJEDLSXKFSEP-LBPRGKRZSA-N 3 0 287.408 -1.151 20 0 CAADRP COC[C@@]1(CNC(=O)[C@@H]([NH3+])CC(=O)OC)CCC[NH2+]1 ZINC000570091384 372987768 /nfs/dbraw/zinc/98/77/68/372987768.db2.gz IWVQQSVVCSWSDY-CABZTGNLSA-N 2 0 273.333 -1.238 20 0 CAADRP CN(CC(=O)N1CC[NH2+]CC1)C(=O)C[C@@H]1COCC[NH2+]1 ZINC000570157478 372988721 /nfs/dbraw/zinc/98/87/21/372988721.db2.gz DYKDMAHDOFMWSF-LLVKDONJSA-N 2 0 284.360 -1.745 20 0 CAADRP COCC[N@H+](C)CCNC(=O)[C@@H]([NH3+])CC(=O)OC ZINC000570206202 372990095 /nfs/dbraw/zinc/99/00/95/372990095.db2.gz DBRNDYMMKDCMRS-VIFPVBQESA-N 2 0 261.322 -1.429 20 0 CAADRP CC(C)[NH2+]CCC(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000580190801 373014382 /nfs/dbraw/zinc/01/43/82/373014382.db2.gz QCXVSZKSWJCAAM-UHFFFAOYSA-N 2 0 256.350 -1.078 20 0 CAADRP COC[C@@]1(C(=O)N2CCO[C@H](C[NH3+])C2)CC[NH2+]C1 ZINC000580192778 373014478 /nfs/dbraw/zinc/01/44/78/373014478.db2.gz GRKLEQBXPKNBNX-ZYHUDNBSSA-N 2 0 257.334 -1.201 20 0 CAADRP CN(CC(=O)N1CC[NH2+]CC1)C(=O)[C@@H]1CCC[NH2+]C1 ZINC000563038349 373020626 /nfs/dbraw/zinc/02/06/26/373020626.db2.gz JBKAIVCXLCHGJH-LLVKDONJSA-N 2 0 268.361 -1.124 20 0 CAADRP CO[C@@H]1C[NH2+][C@@H](C(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)C1 ZINC000563074733 373048469 /nfs/dbraw/zinc/04/84/69/373048469.db2.gz MZLAKWVQKQNQKJ-TUAOUCFPSA-N 2 0 298.387 -1.181 20 0 CAADRP CO[C@@H]1C[NH2+][C@@H](C(=O)NCCC[N@@H+]2CCC[C@@H]2C(N)=O)C1 ZINC000563074730 373047073 /nfs/dbraw/zinc/04/70/73/373047073.db2.gz MZLAKWVQKQNQKJ-QJPTWQEYSA-N 2 0 298.387 -1.181 20 0 CAADRP COC(=O)[C@H]1C[NH2+]CCCN1CCC(=O)N1CC[NH2+]CC1 ZINC000592489796 373073874 /nfs/dbraw/zinc/07/38/74/373073874.db2.gz WEIDWANMEKQGLU-GFCCVEGCSA-N 2 0 298.387 -1.355 20 0 CAADRP COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)[C@H]1C[NH2+]CCO1 ZINC000592547663 373074101 /nfs/dbraw/zinc/07/41/01/373074101.db2.gz IZXZTSHOFCESLA-VHSXEESVSA-N 2 0 271.317 -1.662 20 0 CAADRP COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)COCC[NH3+] ZINC000592547615 373074138 /nfs/dbraw/zinc/07/41/38/373074138.db2.gz IDHMTCNHDKUGOD-VIFPVBQESA-N 2 0 259.306 -1.675 20 0 CAADRP COC(=O)[C@H]1C[NH2+]CCCN1C(=O)[C@@H]1C[NH2+]CCO1 ZINC000592547664 373075086 /nfs/dbraw/zinc/07/50/86/373075086.db2.gz IZXZTSHOFCESLA-ZJUUUORDSA-N 2 0 271.317 -1.662 20 0 CAADRP COC(=O)[C@H]1C[NH2+]CCCN1C(=O)COCC[NH3+] ZINC000592547609 373075284 /nfs/dbraw/zinc/07/52/84/373075284.db2.gz IDHMTCNHDKUGOD-SECBINFHSA-N 2 0 259.306 -1.675 20 0 CAADRP COC(=O)[C@H]1C[NH2+]CCCN1C(=O)C[C@@H]1COCC[NH2+]1 ZINC000592550620 373076890 /nfs/dbraw/zinc/07/68/90/373076890.db2.gz ALEMADDEWRBHKI-GHMZBOCLSA-N 2 0 285.344 -1.272 20 0 CAADRP COC(=O)[C@H]1C[NH2+]CCCN1C(=O)C[C@H]1C[NH2+]CCO1 ZINC000592548397 373077052 /nfs/dbraw/zinc/07/70/52/373077052.db2.gz OQQLNYYVRRXJCF-WDEREUQCSA-N 2 0 285.344 -1.272 20 0 CAADRP COC(=O)[C@H]1C[NH2+]CCCN1C(=O)C[C@@H](C[NH3+])OC ZINC000592550600 373077267 /nfs/dbraw/zinc/07/72/67/373077267.db2.gz ABJAFXMNXVKWTK-VHSXEESVSA-N 2 0 273.333 -1.286 20 0 CAADRP COC(=O)[C@H]1C[NH2+]CCCN1C(=O)COC1(C)C[NH2+]C1 ZINC000592556847 373078610 /nfs/dbraw/zinc/07/86/10/373078610.db2.gz VGKNRLLJYKAUQW-SNVBAGLBSA-N 2 0 285.344 -1.272 20 0 CAADRP CCO[C@@H]1CN(C(=O)[C@@H]([NH3+])CC(=O)OC)C[C@H]1C[NH3+] ZINC000593917206 373096241 /nfs/dbraw/zinc/09/62/41/373096241.db2.gz WTXOSMKTTWYTCJ-KXUCPTDWSA-N 2 0 273.333 -1.301 20 0 CAADRP COC(=O)C[C@H]([NH3+])C(=O)N[C@H](C[NH3+])C(F)(F)F ZINC000594452742 373102602 /nfs/dbraw/zinc/10/26/02/373102602.db2.gz VRUIMYDGUSTPJW-CRCLSJGQSA-N 2 0 257.212 -1.117 20 0 CAADRP CC(C)OC[C@H]([NH3+])C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000594879767 373106391 /nfs/dbraw/zinc/10/63/91/373106391.db2.gz PILPFWQSQFLLQI-AXFHLTTASA-N 2 0 284.360 -1.491 20 0 CAADRP [NH3+][C@@H]1C[C@@H]2CN(C(=O)C[C@@H]3CCC[NH2+]3)CCN2C1=O ZINC000594873923 373106515 /nfs/dbraw/zinc/10/65/15/373106515.db2.gz SDWMIYNVBDNEBJ-HBNTYKKESA-N 2 0 266.345 -1.101 20 0 CAADRP C[C@@H]1C[NH2+]C[C@H](C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)O1 ZINC000594878359 373106538 /nfs/dbraw/zinc/10/65/38/373106538.db2.gz GUGGMOLDGAUVLR-LMLFDSFASA-N 2 0 282.344 -1.866 20 0 CAADRP C[C@@H](C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1)[NH+](C)C ZINC000594880472 373106587 /nfs/dbraw/zinc/10/65/87/373106587.db2.gz NLZHTEKGVKEJOQ-GUBZILKMSA-N 2 0 254.334 -1.293 20 0 CAADRP [NH3+][C@@H]1CCC[C@@H]1C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000594878379 373106753 /nfs/dbraw/zinc/10/67/53/373106753.db2.gz HBHHFPNPAFQUKG-MMWGEVLESA-N 2 0 266.345 -1.116 20 0 CAADRP [NH3+][C@@H]1C[C@@H]2CN(C(=O)[C@]34C[NH2+]C[C@H]3COC4)CCN2C1=O ZINC000594879334 373106780 /nfs/dbraw/zinc/10/67/80/373106780.db2.gz MZSYMIHMUYKEJO-OXIWPEFWSA-N 2 0 294.355 -2.007 20 0 CAADRP [NH3+][C@@H]1C[C@@H]2CN(C(=O)CC[NH2+]C3CC3)CCN2C1=O ZINC000594878053 373107072 /nfs/dbraw/zinc/10/70/72/373107072.db2.gz BVNAGWROYRORMI-GHMZBOCLSA-N 2 0 266.345 -1.101 20 0 CAADRP CC(C)OC[C@H]([NH3+])C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000594879770 373107164 /nfs/dbraw/zinc/10/71/64/373107164.db2.gz PILPFWQSQFLLQI-VWYCJHECSA-N 2 0 284.360 -1.491 20 0 CAADRP C[C@@H]1C[NH2+]C[C@H](C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)O1 ZINC000594878358 373107263 /nfs/dbraw/zinc/10/72/63/373107263.db2.gz GUGGMOLDGAUVLR-GWOFURMSSA-N 2 0 282.344 -1.866 20 0 CAADRP [NH3+][C@H]1C[C@H]2CN(C(=O)[C@H]3CCC[NH2+]3)CCN2C1=O ZINC000594874026 373107671 /nfs/dbraw/zinc/10/76/71/373107671.db2.gz ZRWDJYNHOSXIOS-LPEHRKFASA-N 2 0 252.318 -1.491 20 0 CAADRP [NH3+][C@@H]1C[C@H]2CN(C(=O)[C@@H]3C[NH2+]CCOC3)CCN2C1=O ZINC000594877912 373107762 /nfs/dbraw/zinc/10/77/62/373107762.db2.gz ARDHSGKQKTTWLB-OUAUKWLOSA-N 2 0 282.344 -2.007 20 0 CAADRP [NH3+][C@@H]1C[C@H]2CN(C(=O)[C@H]3C[NH2+]CCOC3)CCN2C1=O ZINC000594877909 373107811 /nfs/dbraw/zinc/10/78/11/373107811.db2.gz ARDHSGKQKTTWLB-GARJFASQSA-N 2 0 282.344 -2.007 20 0 CAADRP [NH3+][C@@H]1C[C@H]2CN(C(=O)C[C@H]3CCC[NH2+]3)CCN2C1=O ZINC000594873924 373107825 /nfs/dbraw/zinc/10/78/25/373107825.db2.gz SDWMIYNVBDNEBJ-OUAUKWLOSA-N 2 0 266.345 -1.101 20 0 CAADRP CC[C@H]([NH2+]C)C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000594879377 373107929 /nfs/dbraw/zinc/10/79/29/373107929.db2.gz NIDPJJUIJTZYNA-GUBZILKMSA-N 2 0 254.334 -1.245 20 0 CAADRP [NH3+][C@@H]1C[C@@H]2CN(C(=O)NCC34CC(C3)C[NH2+]4)CCN2C1=O ZINC000595273194 373108838 /nfs/dbraw/zinc/10/88/38/373108838.db2.gz KGZYASBGQOQBNL-JXRVJTEKSA-N 2 0 293.371 -1.308 20 0 CAADRP [NH3+][C@@H]1C[C@H]2CN(C(=O)N[C@@H]3CC[NH2+]C3)CCN2C1=O ZINC000595267500 373109112 /nfs/dbraw/zinc/10/91/12/373109112.db2.gz MGIVGOIZXYNELI-KXUCPTDWSA-N 2 0 267.333 -1.698 20 0 CAADRP [NH3+]C[C@H](NC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1)C1CC1 ZINC000595268430 373109741 /nfs/dbraw/zinc/10/97/41/373109741.db2.gz TVVXRVGWWHOROK-AXFHLTTASA-N 2 0 281.360 -1.323 20 0 CAADRP [NH3+][C@@H]1C[C@@H]2CN(C(=O)NCC[NH2+]C3CC3)CCN2C1=O ZINC000595267455 373109974 /nfs/dbraw/zinc/10/99/74/373109974.db2.gz LHXRKBVPHUEMGC-GHMZBOCLSA-N 2 0 281.360 -1.308 20 0 CAADRP CC[C@H]([NH3+])CNC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000595273820 373111812 /nfs/dbraw/zinc/11/18/12/373111812.db2.gz NGAQXMFXYFJHRN-LPEHRKFASA-N 2 0 269.349 -1.323 20 0 CAADRP C[NH2+][C@H](C)CNC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000595274579 373112759 /nfs/dbraw/zinc/11/27/59/373112759.db2.gz TZTHOLKSYFYTIU-OPRDCNLKSA-N 2 0 269.349 -1.452 20 0 CAADRP C[NH2+][C@H](C)CNC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000595274577 373113101 /nfs/dbraw/zinc/11/31/01/373113101.db2.gz TZTHOLKSYFYTIU-BBBLOLIVSA-N 2 0 269.349 -1.452 20 0 CAADRP CC[NH+]1CCN([C@H]2CCN(C(=O)C3(O)C[NH2+]C3)C2)CC1 ZINC000595954587 373125432 /nfs/dbraw/zinc/12/54/32/373125432.db2.gz JTSMMVFGGFWWCS-LBPRGKRZSA-N 2 0 282.388 -1.441 20 0 CAADRP COC(=O)C[C@H]([NH3+])C(=O)NC[C@H]1C[N@@H+]2CCN1CCC2 ZINC000595975745 373126835 /nfs/dbraw/zinc/12/68/35/373126835.db2.gz KISNJNVTEFBPGB-QWRGUYRKSA-N 2 0 284.360 -1.617 20 0 CAADRP [NH3+][C@@H]1C[C@H]2CN(C(=O)[C@@]3(O)CCC[NH2+]C3)CCN2C1=O ZINC000595969027 373127560 /nfs/dbraw/zinc/12/75/60/373127560.db2.gz BEPZDRIVCFFACL-OPQQBVKSSA-N 2 0 282.344 -2.129 20 0 CAADRP [NH3+][C@H]1C[C@H](C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)C1 ZINC000595969870 373127589 /nfs/dbraw/zinc/12/75/89/373127589.db2.gz HZDONRBTOMLEOO-AATLWQCWSA-N 2 0 252.318 -1.506 20 0 CAADRP [NH3+][C@H]1C[C@@H]2CN(C(=O)C3(O)C[NH2+]C3)CCN2C1=O ZINC000595969016 373127753 /nfs/dbraw/zinc/12/77/53/373127753.db2.gz BBAZFQFCXOXCEC-SFYZADRCSA-N 2 0 254.290 -2.909 20 0 CAADRP [NH3+][C@@H]1C[C@H]2CN(C(=O)C3(O)C[NH2+]C3)CCN2C1=O ZINC000595969015 373128124 /nfs/dbraw/zinc/12/81/24/373128124.db2.gz BBAZFQFCXOXCEC-JGVFFNPUSA-N 2 0 254.290 -2.909 20 0 CAADRP CN1CCN(C(=O)CCOC2C[NH2+]C2)[C@H](C[NH3+])C1 ZINC000563101764 373218862 /nfs/dbraw/zinc/21/88/62/373218862.db2.gz NNNSHUVMGAVGNJ-SNVBAGLBSA-N 2 0 256.350 -1.534 20 0 CAADRP C[C@H]1C[C@H](NC(=O)CN2CCNCC2=O)CC[NH2+]1 ZINC000563109523 373219738 /nfs/dbraw/zinc/21/97/38/373219738.db2.gz JMBZSTZBBAVOCX-VHSXEESVSA-N 2 0 254.334 -1.325 20 0 CAADRP CN(CCN1CC[NH2+]CC1)CC(=O)N1CCOCC1 ZINC000071150216 373220007 /nfs/dbraw/zinc/22/00/07/373220007.db2.gz CWLDKCANPLKOON-UHFFFAOYSA-N 2 0 270.377 -1.318 20 0 CAADRP [NH3+][C@H]1C[C@H]2CN(C(=O)N[C@@H]3CC[NH2+]C3)CCN2C1=O ZINC000599938105 373186756 /nfs/dbraw/zinc/18/67/56/373186756.db2.gz MGIVGOIZXYNELI-UTLUCORTSA-N 2 0 267.333 -1.698 20 0 CAADRP [NH3+][C@H]1C[C@@H]2CN(CC34CC(C3)C[NH2+]4)CCN2C1=O ZINC000602023460 373191404 /nfs/dbraw/zinc/19/14/04/373191404.db2.gz WLEKOCJFWADWLJ-ZUXSNHBTSA-N 2 0 250.346 -1.018 20 0 CAADRP [NH3+][C@H]1C[C@H]2CN(CC34CC(C3)C[NH2+]4)CCN2C1=O ZINC000602023457 373192682 /nfs/dbraw/zinc/19/26/82/373192682.db2.gz WLEKOCJFWADWLJ-ZRZGDYATSA-N 2 0 250.346 -1.018 20 0 CAADRP C[C@H](C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1)[NH+](C)C ZINC000602526012 373199382 /nfs/dbraw/zinc/19/93/82/373199382.db2.gz NLZHTEKGVKEJOQ-OPRDCNLKSA-N 2 0 254.334 -1.293 20 0 CAADRP C[C@H](C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1)[NH+](C)C ZINC000602525996 373199734 /nfs/dbraw/zinc/19/97/34/373199734.db2.gz NLZHTEKGVKEJOQ-BBBLOLIVSA-N 2 0 254.334 -1.293 20 0 CAADRP CC[NH2+][C@H](C)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000602526839 373199964 /nfs/dbraw/zinc/19/99/64/373199964.db2.gz PVWRNNNMUSWQDP-KXUCPTDWSA-N 2 0 254.334 -1.245 20 0 CAADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)C1 ZINC000602526864 373202116 /nfs/dbraw/zinc/20/21/16/373202116.db2.gz PXIULIJZPCUWGX-RMIALFOJSA-N 2 0 296.371 -1.476 20 0 CAADRP C[C@]1(C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)C[NH2+]CCO1 ZINC000602531892 373202514 /nfs/dbraw/zinc/20/25/14/373202514.db2.gz XRRXCZGNTHVNPR-OPQQBVKSSA-N 2 0 282.344 -1.865 20 0 CAADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)C1 ZINC000602526860 373204145 /nfs/dbraw/zinc/20/41/45/373204145.db2.gz PXIULIJZPCUWGX-DYNIEEOBSA-N 2 0 296.371 -1.476 20 0 CAADRP CC[NH2+][C@H](C)C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000602526845 373204164 /nfs/dbraw/zinc/20/41/64/373204164.db2.gz PVWRNNNMUSWQDP-UTLUCORTSA-N 2 0 254.334 -1.245 20 0 CAADRP CN(CC[NH3+])C(=O)C[C@]1(C(=O)N(C)CC[NH3+])CC[NH2+]C1 ZINC000563159729 373236142 /nfs/dbraw/zinc/23/61/42/373236142.db2.gz KGRZNINKIQHQRG-CYBMUJFWSA-N 3 0 285.392 -1.810 20 0 CAADRP CN(CC[NH3+])C(=O)C[C@@]1(C(=O)N(C)CC[NH3+])CC[NH2+]C1 ZINC000563159736 373236593 /nfs/dbraw/zinc/23/65/93/373236593.db2.gz KGRZNINKIQHQRG-ZDUSSCGKSA-N 3 0 285.392 -1.810 20 0 CAADRP COCC[N@H+](C)CCNC(=O)CNC(=O)[C@H]([NH3+])C(C)C ZINC000336826725 373248972 /nfs/dbraw/zinc/24/89/72/373248972.db2.gz UGGUNPOCRIXKME-GFCCVEGCSA-N 2 0 288.392 -1.220 20 0 CAADRP C[C@H](CN1CC[NH+](C)CC1)Nc1nc(N)[nH+]c(N)n1 ZINC000623953249 373301848 /nfs/dbraw/zinc/30/18/48/373301848.db2.gz XSRFYGNBGZCYMM-MRVPVSSYSA-N 2 0 266.353 -1.834 20 0 CAADRP O=C(CN1CC[NH2+]CC1)NCCCN1CC[NH2+]CC1 ZINC000637798734 373350387 /nfs/dbraw/zinc/35/03/87/373350387.db2.gz QADWWJOAGSPAMI-UHFFFAOYSA-N 2 0 269.393 -1.697 20 0 CAADRP C[C@@]1(C(=O)NCCN2CC[NH2+]CC2)C[NH2+]CCO1 ZINC000637811946 373350656 /nfs/dbraw/zinc/35/06/56/373350656.db2.gz TULHJPVCTKMOBN-LBPRGKRZSA-N 2 0 256.350 -1.614 20 0 CAADRP C[C@@]1(C(=O)NCCCN2CC[NH2+]CC2)C[NH2+]CCO1 ZINC000637797783 373351575 /nfs/dbraw/zinc/35/15/75/373351575.db2.gz IZZUXOYPWISWGD-ZDUSSCGKSA-N 2 0 270.377 -1.224 20 0 CAADRP O=C(CNC(=O)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)N1CC[NH2+]CC1 ZINC000637812801 373352147 /nfs/dbraw/zinc/35/21/47/373352147.db2.gz CPBJWMDESDCRNI-NEPJUHHUSA-N 2 0 296.371 -1.602 20 0 CAADRP CN(CC(=O)N1CC[NH2+]CC1)C(=O)C1=CC[C@H]([NH3+])C1 ZINC000637811434 373353841 /nfs/dbraw/zinc/35/38/41/373353841.db2.gz UNXLZWBZCIAOHQ-NSHDSACASA-N 2 0 266.345 -1.076 20 0 CAADRP C[C@]1(C(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)C[NH2+]CCO1 ZINC000637818820 373354142 /nfs/dbraw/zinc/35/41/42/373354142.db2.gz HWNGTHIMMBGMEW-BXUZGUMPSA-N 2 0 298.387 -1.322 20 0 CAADRP O=C(CN1CC[NH2+]CC1)NCCN1CC[NH2+]CC1 ZINC000637811522 373354191 /nfs/dbraw/zinc/35/41/91/373354191.db2.gz PPBDPPXFYJOIEJ-UHFFFAOYSA-N 2 0 255.366 -2.087 20 0 CAADRP [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)CN2CC[NH2+]CC2)C1 ZINC000637820997 373354749 /nfs/dbraw/zinc/35/47/49/373354749.db2.gz LHYWLLMKGKXZQM-LBPRGKRZSA-N 2 0 297.403 -1.795 20 0 CAADRP CO[C@H]1C[NH2+][C@@](C)(C(=O)NCC(=O)N2CC[NH2+]CC2)C1 ZINC000637811075 373354785 /nfs/dbraw/zinc/35/47/85/373354785.db2.gz QBJFZQBURPSUEU-ZWNOBZJWSA-N 2 0 284.360 -1.699 20 0 CAADRP [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)CN2CC[NH2+]CC2)C1 ZINC000637820996 373355009 /nfs/dbraw/zinc/35/50/09/373355009.db2.gz LHYWLLMKGKXZQM-GFCCVEGCSA-N 2 0 297.403 -1.795 20 0 CAADRP C[C@@H]([NH3+])[C@H]1CN(C(=O)CN2CC[NH2+]CC2)CCO1 ZINC000637865854 373356303 /nfs/dbraw/zinc/35/63/03/373356303.db2.gz IUGBLKYHYQZHMX-GHMZBOCLSA-N 2 0 256.350 -1.534 20 0 CAADRP C[C@H]([NH3+])[C@H]1CN(C(=O)[C@]2(C)C[NH2+]CCO2)CCO1 ZINC000637867318 373357196 /nfs/dbraw/zinc/35/71/96/373357196.db2.gz SNKVTHZSPZOYJQ-UMNHJUIQSA-N 2 0 257.334 -1.061 20 0 CAADRP CN(CCN1CC[NH2+]CC1)C(=O)[C@@]1(C)C[NH2+]CCO1 ZINC000637833164 373357367 /nfs/dbraw/zinc/35/73/67/373357367.db2.gz PAZRUOYSHMCYPC-CYBMUJFWSA-N 2 0 270.377 -1.272 20 0 CAADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)CN2CC[NH2+]CC2)CCO1 ZINC000637865856 373357492 /nfs/dbraw/zinc/35/74/92/373357492.db2.gz IUGBLKYHYQZHMX-QWRGUYRKSA-N 2 0 256.350 -1.534 20 0 CAADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)[C@@]2(C)C[NH2+]CCO2)CCO1 ZINC000637867316 373357601 /nfs/dbraw/zinc/35/76/01/373357601.db2.gz SNKVTHZSPZOYJQ-JBLDHEPKSA-N 2 0 257.334 -1.061 20 0 CAADRP C[C@]1(C(=O)N2CC[C@@H]3OCC[NH2+][C@H]3C2)C[NH2+]CCO1 ZINC000638227654 373401942 /nfs/dbraw/zinc/40/19/42/373401942.db2.gz RBLVWIHVYQMIQC-GMXVVIOVSA-N 2 0 269.345 -1.046 20 0 CAADRP C[C@]1(C(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)C[NH2+]CCO1 ZINC000638239452 373402890 /nfs/dbraw/zinc/40/28/90/373402890.db2.gz BXHQZRTZQQWZPL-TZMCWYRMSA-N 2 0 282.388 -1.129 20 0 CAADRP C[C@@]1(C(=O)NC[C@@H]2C[NH2+]CCCO2)C[NH2+]CCO1 ZINC000638265349 373403397 /nfs/dbraw/zinc/40/33/97/373403397.db2.gz LKGFGIGTWAHOEB-JQWIXIFHSA-N 2 0 257.334 -1.140 20 0 CAADRP C[C@@]1(C(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)C[NH2+]CCO1 ZINC000638239446 373403836 /nfs/dbraw/zinc/40/38/36/373403836.db2.gz BXHQZRTZQQWZPL-JSGCOSHPSA-N 2 0 282.388 -1.129 20 0 CAADRP C[C@]1(C(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)C[NH2+]CCO1 ZINC000638239443 373404117 /nfs/dbraw/zinc/40/41/17/373404117.db2.gz BXHQZRTZQQWZPL-GXTWGEPZSA-N 2 0 282.388 -1.129 20 0 CAADRP COCCN(CC[NH+](C)C)C(=O)CN1CC[NH2+]CC1 ZINC000638278940 373405488 /nfs/dbraw/zinc/40/54/88/373405488.db2.gz WPSHNZVDCCLZCY-UHFFFAOYSA-N 2 0 272.393 -1.072 20 0 CAADRP CO[C@@H]1C[NH2+][C@@](C)(C(=O)NC[C@H]2C[NH2+]CCO2)C1 ZINC000638337954 373413541 /nfs/dbraw/zinc/41/35/41/373413541.db2.gz NTXRLMYAKGLCNH-HOSYDEDBSA-N 2 0 257.334 -1.142 20 0 CAADRP [NH3+]C[C@@]1(C(=O)NC[C@@H]2C[NH2+]CCO2)CCCOC1 ZINC000638337889 373413918 /nfs/dbraw/zinc/41/39/18/373413918.db2.gz LVNXNABORYDGJB-JQWIXIFHSA-N 2 0 257.334 -1.154 20 0 CAADRP CCO[C@@H]1CN(C(=O)[C@@H]2OCC[C@@H]2[NH3+])C[C@H]1C[NH3+] ZINC000638391886 373421184 /nfs/dbraw/zinc/42/11/84/373421184.db2.gz VEDFYKHQHWBKQU-LMLFDSFASA-N 2 0 257.334 -1.075 20 0 CAADRP CO[C@@H]1C[NH2+][C@@](C)(C(=O)N2CCOC3(C[NH2+]C3)C2)C1 ZINC000638436845 373422882 /nfs/dbraw/zinc/42/28/82/373422882.db2.gz GCALXSVWYIMIJD-CMPLNLGQSA-N 2 0 269.345 -1.046 20 0 CAADRP C[NH2+]CC(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000638475728 373424432 /nfs/dbraw/zinc/42/44/32/373424432.db2.gz CHRGMDWSMSOBOL-UHFFFAOYSA-N 2 0 269.349 -1.625 20 0 CAADRP [NH3+][C@H]1C[C@H](C(=O)N2CCN(C(=O)N3CC[NH2+]CC3)CC2)C1 ZINC000638484623 373424666 /nfs/dbraw/zinc/42/46/66/373424666.db2.gz DKMZYJSIMKDGKD-HAQNSBGRSA-N 2 0 295.387 -1.107 20 0 CAADRP C[C@@H]([NH3+])CC(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000638477401 373424696 /nfs/dbraw/zinc/42/46/96/373424696.db2.gz OSXGQNPDLFVLSH-LLVKDONJSA-N 2 0 283.376 -1.107 20 0 CAADRP CC[C@H]([NH3+])C(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000638478133 373424897 /nfs/dbraw/zinc/42/48/97/373424897.db2.gz XIRTUYSYMBMFDY-NSHDSACASA-N 2 0 283.376 -1.107 20 0 CAADRP C[NH+](C)CC(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000638480256 373425941 /nfs/dbraw/zinc/42/59/41/373425941.db2.gz JARXVFHNDRHSTF-UHFFFAOYSA-N 2 0 283.376 -1.283 20 0 CAADRP C[C@H]([NH3+])C(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000638478023 373426235 /nfs/dbraw/zinc/42/62/35/373426235.db2.gz WBCLDJDTBQLFLI-JTQLQIEISA-N 2 0 269.349 -1.497 20 0 CAADRP C[C@@]1(C(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)C[NH2+]CCO1 ZINC000638496517 373427831 /nfs/dbraw/zinc/42/78/31/373427831.db2.gz SMLRXWIMHWBVKO-FZMZJTMJSA-N 2 0 298.387 -1.179 20 0 CAADRP O=C(CN1CC[NH2+]CC1)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000638103515 373384431 /nfs/dbraw/zinc/38/44/31/373384431.db2.gz PRUNZPFCQUTJQI-UONOGXRCSA-N 2 0 296.415 -1.051 20 0 CAADRP CC[NH+]1CCN(CCNC(=O)CN2CC[NH2+]CC2)CC1 ZINC000638137783 373388280 /nfs/dbraw/zinc/38/82/80/373388280.db2.gz NLXYTJCBBYNBIE-UHFFFAOYSA-N 2 0 283.420 -1.355 20 0 CAADRP C[C@@H](CNC(=O)CN1CC[NH2+]CC1)N1CC[NH+](C)CC1 ZINC000638139384 373392863 /nfs/dbraw/zinc/39/28/63/373392863.db2.gz CXVMYESAEXTMNK-ZDUSSCGKSA-N 2 0 283.420 -1.356 20 0 CAADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)[C@]1(C)C[NH2+]CCO1 ZINC000638139561 373392968 /nfs/dbraw/zinc/39/29/68/373392968.db2.gz MCJYRUCHTFLNQW-AAEUAGOBSA-N 2 0 270.377 -1.273 20 0 CAADRP [NH3+]C[C@H]1CN(C(=O)[C@@]2(C[NH3+])CCCOC2)CCO1 ZINC000638171904 373395275 /nfs/dbraw/zinc/39/52/75/373395275.db2.gz MPMULRQSSNZLEF-CMPLNLGQSA-N 2 0 257.334 -1.072 20 0 CAADRP COC[C@@]1(CNC(=O)CN2CC[NH2+]CC2)CCC[NH2+]1 ZINC000638231807 373400389 /nfs/dbraw/zinc/40/03/89/373400389.db2.gz QMENXVPKHCOXOS-ZDUSSCGKSA-N 2 0 270.377 -1.224 20 0 CAADRP COC[C@]1(CNC(=O)CN2CC[NH2+]CC2)CCC[NH2+]1 ZINC000638231806 373401384 /nfs/dbraw/zinc/40/13/84/373401384.db2.gz QMENXVPKHCOXOS-CYBMUJFWSA-N 2 0 270.377 -1.224 20 0 CAADRP CC[NH+]1CCN(CC(=O)NCCOCC[NH2+]C)CC1 ZINC000638578215 373439949 /nfs/dbraw/zinc/43/99/49/373439949.db2.gz KUBJMXFIRQYHJN-UHFFFAOYSA-N 2 0 272.393 -1.024 20 0 CAADRP C[NH2+]CCOCCNC(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000638579872 373440315 /nfs/dbraw/zinc/44/03/15/373440315.db2.gz XSVPBFRWYRCVIP-LLVKDONJSA-N 2 0 286.376 -1.403 20 0 CAADRP CN1CCOC[C@@H]1CNC(=O)CCOC1C[NH2+]C1 ZINC000638611257 373441284 /nfs/dbraw/zinc/44/12/84/373441284.db2.gz NGYLGVWYFNLECD-JTQLQIEISA-N 2 0 257.334 -1.188 20 0 CAADRP C[NH2+]CCOCCN(C)C(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC000638593048 373441340 /nfs/dbraw/zinc/44/13/40/373441340.db2.gz GGMYQZNHVKKWJV-AAEUAGOBSA-N 2 0 271.361 -1.083 20 0 CAADRP C[NH2+]CCOCCN(C)C(=O)CN1CC[NH2+]CC1 ZINC000638594522 373442254 /nfs/dbraw/zinc/44/22/54/373442254.db2.gz IRVATNOBUBULAP-UHFFFAOYSA-N 2 0 258.366 -1.414 20 0 CAADRP CN1CCOC[C@H]1CNC(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000638609097 373442603 /nfs/dbraw/zinc/44/26/03/373442603.db2.gz DSGAJVDPKIRNDE-GHMZBOCLSA-N 2 0 284.360 -1.699 20 0 CAADRP CN1CCOC[C@@H]1CNC(=O)C[C@H]1C[NH2+]CCO1 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CAADRP COCC[N@H+](C)CCNC(=O)C(=O)N(C)CC[NH+](C)C ZINC000358557350 373617692 /nfs/dbraw/zinc/61/76/92/373617692.db2.gz HRLXKBCXNQPXFO-UHFFFAOYSA-N 2 0 288.392 -1.299 20 0 CAADRP C[C@]1(NC(=O)NCCN2CC[NH2+]CC2)CC[NH2+]C1 ZINC000612912549 373713889 /nfs/dbraw/zinc/71/38/89/373713889.db2.gz XRAAAOXVNYUJCD-LBPRGKRZSA-N 2 0 255.366 -1.057 20 0 CAADRP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N(CC[NH3+])CCO ZINC000419521826 373670840 /nfs/dbraw/zinc/67/08/40/373670840.db2.gz KVLNEJGOEGGLTO-NSHDSACASA-N 2 0 288.392 -1.388 20 0 CAADRP C[C@@H]1[C@H](NC(=O)C(=O)N(C)[C@H]2C[NH2+]C[C@@H]2O)CCC[N@@H+]1C ZINC000419542890 373671700 /nfs/dbraw/zinc/67/17/00/373671700.db2.gz FYLQHDDAPBODJL-WYUUTHIRSA-N 2 0 298.387 -1.624 20 0 CAADRP C[NH2+]C[C@H](O)CNC[C@@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000572880701 373677971 /nfs/dbraw/zinc/67/79/71/373677971.db2.gz KCFZUUFBRWASNG-QNWHQSFQSA-N 2 0 275.393 -1.374 20 0 CAADRP C[NH2+]C[C@H](O)CNC[C@H](O)C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000572880700 373678239 /nfs/dbraw/zinc/67/82/39/373678239.db2.gz KCFZUUFBRWASNG-NDBYEHHHSA-N 2 0 275.393 -1.374 20 0 CAADRP C[NH+](C)CCN1C(=O)C[C@H]([NH2+]CCN2CCOCC2)C1=O ZINC000572131658 373680382 /nfs/dbraw/zinc/68/03/82/373680382.db2.gz JZXSSGICJCHTFW-LBPRGKRZSA-N 2 0 298.387 -1.403 20 0 CAADRP C[C@H]([NH3+])[C@H](C)NC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000514950430 373721821 /nfs/dbraw/zinc/72/18/21/373721821.db2.gz GATOFPYBKFCAHG-AATLWQCWSA-N 2 0 269.349 -1.325 20 0 CAADRP C[C@H]([NH3+])[C@H](C)NC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000514950450 373721959 /nfs/dbraw/zinc/72/19/59/373721959.db2.gz GATOFPYBKFCAHG-AXTSPUMRSA-N 2 0 269.349 -1.325 20 0 CAADRP O=C(NCCCN1CCOCC1)NC[C@@H]1COCC[NH2+]1 ZINC000626918273 373729243 /nfs/dbraw/zinc/72/92/43/373729243.db2.gz WOVSACKINKWNPS-GFCCVEGCSA-N 2 0 286.376 -1.004 20 0 CAADRP C[NH2+]CC(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000430892146 373739590 /nfs/dbraw/zinc/73/95/90/373739590.db2.gz BEILOMMLZYINEU-JTQLQIEISA-N 2 0 256.350 -1.091 20 0 CAADRP C[N@H+](CCCS(N)(=O)=O)CCN1CC[NH2+]CC1 ZINC000641797108 373814915 /nfs/dbraw/zinc/81/49/15/373814915.db2.gz URNYSSLNFKBPTB-UHFFFAOYSA-N 2 0 264.395 -1.498 20 0 CAADRP O=S(=O)(C[C@H]1C[NH2+]CCO1)NCC[C@@H]1CC[NH2+]C1 ZINC000631903268 373820003 /nfs/dbraw/zinc/82/00/03/373820003.db2.gz DCZTZNWIBFESDM-WDEREUQCSA-N 2 0 277.390 -1.106 20 0 CAADRP CC(C)(C[NH3+])NS(=O)(=O)C[C@@H]1C[NH2+]CCO1 ZINC000631903359 373820114 /nfs/dbraw/zinc/82/01/14/373820114.db2.gz GPIJAMIZCJJTCV-QMMMGPOBSA-N 2 0 251.352 -1.369 20 0 CAADRP [NH3+]C[C@H](NS(=O)(=O)C[C@H]1C[NH2+]CCO1)C1CC1 ZINC000631906252 373820313 /nfs/dbraw/zinc/82/03/13/373820313.db2.gz HUXIFEZZEATHPL-ZJUUUORDSA-N 2 0 263.363 -1.369 20 0 CAADRP C[NH2+]C[C@@H]1CCCN1S(=O)(=O)C[C@@H]1C[NH2+]CCO1 ZINC000631907213 373820388 /nfs/dbraw/zinc/82/03/88/373820388.db2.gz GALNJSMGLSJXEH-QWRGUYRKSA-N 2 0 277.390 -1.012 20 0 CAADRP CN([C@@H]1CC[NH2+]C1)S(=O)(=O)C[C@H]1C[NH2+]CCO1 ZINC000631904040 373820446 /nfs/dbraw/zinc/82/04/46/373820446.db2.gz BOIMDNIDOXUQRO-NXEZZACHSA-N 2 0 263.363 -1.402 20 0 CAADRP CC(C)(C[NH3+])NS(=O)(=O)C[C@H]1C[NH2+]CCO1 ZINC000631903358 373820469 /nfs/dbraw/zinc/82/04/69/373820469.db2.gz GPIJAMIZCJJTCV-MRVPVSSYSA-N 2 0 251.352 -1.369 20 0 CAADRP CN([C@H]1CC[NH2+]C1)S(=O)(=O)C[C@H]1C[NH2+]CCO1 ZINC000631904042 373821181 /nfs/dbraw/zinc/82/11/81/373821181.db2.gz BOIMDNIDOXUQRO-VHSXEESVSA-N 2 0 263.363 -1.402 20 0 CAADRP C[C@H]([NH3+])[C@@H]1CN(S(=O)(=O)C[C@@H]2C[NH2+]CCO2)CCO1 ZINC000631907186 373821434 /nfs/dbraw/zinc/82/14/34/373821434.db2.gz FNLBGNKRZMIGPM-DCAQKATOSA-N 2 0 293.389 -1.647 20 0 CAADRP C[C@@H](C[NH3+])N(C)S(=O)(=O)C[C@H]1C[NH2+]CCO1 ZINC000631904012 373821499 /nfs/dbraw/zinc/82/14/99/373821499.db2.gz AVEVSXFXLCURKM-DTWKUNHWSA-N 2 0 251.352 -1.416 20 0 CAADRP CC(C)[C@H]([NH3+])CNS(=O)(=O)C[C@@H]1C[NH2+]CCO1 ZINC000631904984 373821542 /nfs/dbraw/zinc/82/15/42/373821542.db2.gz CPRMQIOLFFFBDD-VHSXEESVSA-N 2 0 265.379 -1.123 20 0 CAADRP O=S(=O)(C[C@@H]1C[NH2+]CCO1)NC[C@@H]1CCC[NH2+]1 ZINC000631903945 373821683 /nfs/dbraw/zinc/82/16/83/373821683.db2.gz ZNWLZMOBMMEVMV-UWVGGRQHSA-N 2 0 263.363 -1.354 20 0 CAADRP C[C@@H]1C[C@@H](C[NH3+])CN1S(=O)(=O)C[C@@H]1C[NH2+]CCO1 ZINC000631931115 373822793 /nfs/dbraw/zinc/82/27/93/373822793.db2.gz GGTGSYOZZWOGEL-VWYCJHECSA-N 2 0 277.390 -1.026 20 0 CAADRP C[NH+](C)C1(CNS(=O)(=O)C[C@H]2C[NH2+]CCO2)CC1 ZINC000397954898 373823575 /nfs/dbraw/zinc/82/35/75/373823575.db2.gz BOCWORQLVLYHKT-SNVBAGLBSA-N 2 0 277.390 -1.012 20 0 CAADRP [NH3+]CC12CC(C1)CN2S(=O)(=O)C[C@H]1C[NH2+]CCO1 ZINC000631951434 373824903 /nfs/dbraw/zinc/82/49/03/373824903.db2.gz HRYMIXXIXHDCKG-HSOILSAZSA-N 2 0 275.374 -1.272 20 0 CAADRP C[C@@H]1C[NH2+]CC[C@H]1NS(=O)(=O)C[C@H]1C[NH2+]CCO1 ZINC000631935540 373825110 /nfs/dbraw/zinc/82/51/10/373825110.db2.gz WUXORWWBITXSFF-GMTAPVOTSA-N 2 0 277.390 -1.108 20 0 CAADRP CN1CCOC[C@H]1CNC(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000623600683 373825147 /nfs/dbraw/zinc/82/51/47/373825147.db2.gz XWUWZYBVEFYQFN-CHWSQXEVSA-N 2 0 299.419 -1.138 20 0 CAADRP O=S(=O)(C[C@@H]1C[NH2+]CCO1)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000631938901 373825657 /nfs/dbraw/zinc/82/56/57/373825657.db2.gz OWGVRLFWGGXVHA-SDDRHHMPSA-N 2 0 289.401 -1.012 20 0 CAADRP O=S(=O)(C[C@@H]1C[NH2+]CCO1)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000631938903 373826321 /nfs/dbraw/zinc/82/63/21/373826321.db2.gz OWGVRLFWGGXVHA-WOPDTQHZSA-N 2 0 289.401 -1.012 20 0 CAADRP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)NC[C@H]1COCC[NH2+]1 ZINC000626972928 373828378 /nfs/dbraw/zinc/82/83/78/373828378.db2.gz RDACCWVTNJHDSP-STQMWFEESA-N 2 0 299.419 -1.090 20 0 CAADRP C[NH+](C)CCOCCNC(=O)NC[C@@H]1COCC[NH2+]1 ZINC000627018911 373831844 /nfs/dbraw/zinc/83/18/44/373831844.db2.gz JHUMXXIRLULWSW-LLVKDONJSA-N 2 0 274.365 -1.148 20 0 CAADRP [NH3+]CCCOCCNC(=O)NCCN1CC[NH2+]CC1 ZINC000627066682 373836169 /nfs/dbraw/zinc/83/61/69/373836169.db2.gz WCEFJERDJCHATK-UHFFFAOYSA-N 2 0 273.381 -1.444 20 0 CAADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000627063466 373836237 /nfs/dbraw/zinc/83/62/37/373836237.db2.gz KFMPNHTZKHXKQQ-VHSXEESVSA-N 2 0 269.349 -1.532 20 0 CAADRP CS(=O)(=O)N1CC(C[NH2+]C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000629574281 373778325 /nfs/dbraw/zinc/77/83/25/373778325.db2.gz DUFHEDQJBMQLNP-GFCCVEGCSA-N 2 0 291.417 -1.076 20 0 CAADRP O=C(CNC(=O)NCC[N@H+]1CC[C@@H](O)C1)N1CC[NH2+]CC1 ZINC000627064805 373837007 /nfs/dbraw/zinc/83/70/07/373837007.db2.gz WYADFVQWTVUNSC-LLVKDONJSA-N 2 0 299.375 -2.216 20 0 CAADRP CS(=O)(=O)N1CC(C[NH2+]C[C@H](O)C[NH+]2CCCC2)C1 ZINC000629574305 373779456 /nfs/dbraw/zinc/77/94/56/373779456.db2.gz DUFHEDQJBMQLNP-LBPRGKRZSA-N 2 0 291.417 -1.076 20 0 CAADRP C[C@@H]1CC[C@@H](NC(=O)NCC(=O)N2CC[NH2+]CC2)C[NH2+]1 ZINC000627064049 373837147 /nfs/dbraw/zinc/83/71/47/373837147.db2.gz PPBXXWHDTMVGKM-GHMZBOCLSA-N 2 0 283.376 -1.142 20 0 CAADRP C[NH2+]CCOCC[N@H+](C)Cc1cn(C)c(=O)n(C)c1=O ZINC000629653956 373781477 /nfs/dbraw/zinc/78/14/77/373781477.db2.gz SJOPWMIUQPNJFB-UHFFFAOYSA-N 2 0 284.360 -1.248 20 0 CAADRP C[NH2+]CCOCCN(C)C(=O)C(=O)N(C)CC[NH+](C)C ZINC000629789730 373783276 /nfs/dbraw/zinc/78/32/76/373783276.db2.gz XOWUPRAWWVOENK-UHFFFAOYSA-N 2 0 288.392 -1.299 20 0 CAADRP O=C(NCCCN1CC[NH2+]CC1)NCC[N@H+]1CC[C@H](O)C1 ZINC000627064849 373837403 /nfs/dbraw/zinc/83/74/03/373837403.db2.gz XWWDTOCIDHGYCX-ZDUSSCGKSA-N 2 0 299.419 -1.353 20 0 CAADRP O=C(NCCCN1CC[NH2+]CC1)NC[C@H]1COCC[NH2+]1 ZINC000627064315 373837417 /nfs/dbraw/zinc/83/74/17/373837417.db2.gz RHWJRDOWKDGADD-LBPRGKRZSA-N 2 0 285.392 -1.431 20 0 CAADRP CN1CCO[C@@H](C(=O)NCC[N@@H+]2CC[C@H](O)C2)C1 ZINC000629913608 373790953 /nfs/dbraw/zinc/79/09/53/373790953.db2.gz HYMWLYOGJSNFGE-WDEREUQCSA-N 2 0 257.334 -1.500 20 0 CAADRP CC[N@H+](C)C[C@H](O)Cn1cc(CN2CC[NH2+]CC2)nn1 ZINC000641222890 373800290 /nfs/dbraw/zinc/80/02/90/373800290.db2.gz OIOBHLNVJJLJQN-ZDUSSCGKSA-N 2 0 282.392 -1.004 20 0 CAADRP NCC(F)(F)CNC(=O)NC[C@H]1COCC[NH2+]1 ZINC000627084654 373838458 /nfs/dbraw/zinc/83/84/58/373838458.db2.gz KSHPGGYEQKZQKW-ZETCQYMHSA-N 2 0 252.265 -1.132 20 0 CAADRP [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)N[C@@H]2CC[NH2+]C2)C1 ZINC000627252021 373888387 /nfs/dbraw/zinc/88/83/87/373888387.db2.gz IROQQHREFHWTGQ-GHMZBOCLSA-N 2 0 283.376 -1.155 20 0 CAADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CCC[NH2+]CC1 ZINC000126116044 373892725 /nfs/dbraw/zinc/89/27/25/373892725.db2.gz TUUIKMNPCOBOAO-NSHDSACASA-N 2 0 256.350 -1.092 20 0 CAADRP C[NH+](C)CCOCCNC(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000564208996 373894276 /nfs/dbraw/zinc/89/42/76/373894276.db2.gz FMIDSQOVWWBJSA-NSHDSACASA-N 2 0 286.376 -1.451 20 0 CAADRP CC[NH+]1CCN(CC(=O)N[C@@H](CO)C[NH+](C)C)CC1 ZINC000614845874 373895778 /nfs/dbraw/zinc/89/57/78/373895778.db2.gz FJLGVDZTRCHXQI-GFCCVEGCSA-N 2 0 272.393 -1.337 20 0 CAADRP O=C(NCC[N@H+]1CC[C@H](O)C1)NC[C@@H]1C[NH2+]CCO1 ZINC000627104058 373841331 /nfs/dbraw/zinc/84/13/31/373841331.db2.gz QXDWKUNMTIPKSO-QWRGUYRKSA-N 2 0 272.349 -1.659 20 0 CAADRP CN1CCOC[C@@H]1CNC(=O)NC[C@H]1C[NH2+]CCO1 ZINC000627103214 373841531 /nfs/dbraw/zinc/84/15/31/373841531.db2.gz GMUKSPIIHWPFNQ-WDEREUQCSA-N 2 0 272.349 -1.395 20 0 CAADRP C[NH2+]CCOCCNC(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000627170998 373843322 /nfs/dbraw/zinc/84/33/22/373843322.db2.gz NNFHVBWWAHKFPF-CYBMUJFWSA-N 2 0 299.419 -1.089 20 0 CAADRP C[NH2+]CCOCCNC(=O)N1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000627170450 373843343 /nfs/dbraw/zinc/84/33/43/373843343.db2.gz ADXPSDJWARVFPF-QWRGUYRKSA-N 2 0 274.365 -1.020 20 0 CAADRP C[NH2+]CCOCCNC(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000627171552 373843435 /nfs/dbraw/zinc/84/34/35/373843435.db2.gz YQIIWNAWIJETCR-NSHDSACASA-N 2 0 273.381 -1.493 20 0 CAADRP CN1CCN(C(=O)NCC2([NH3+])CCOCC2)[C@H](C[NH3+])C1 ZINC000627148399 373844023 /nfs/dbraw/zinc/84/40/23/373844023.db2.gz WLDDOZCPONUJDB-LLVKDONJSA-N 2 0 285.392 -1.221 20 0 CAADRP C[NH+](C)C[C@@](C)(O)CNC(=O)NC[C@@H]1COCC[NH2+]1 ZINC000627187491 373845050 /nfs/dbraw/zinc/84/50/50/373845050.db2.gz DCEXZOBLYZYAMX-PWSUYJOCSA-N 2 0 274.365 -1.413 20 0 CAADRP C[NH+](C)C[C@](C)(O)CNC(=O)NC[C@H]1COCC[NH2+]1 ZINC000627187489 373845278 /nfs/dbraw/zinc/84/52/78/373845278.db2.gz DCEXZOBLYZYAMX-CMPLNLGQSA-N 2 0 274.365 -1.413 20 0 CAADRP C[NH+](C)C[C@](C)(O)CNC(=O)NC[C@@H]1COCC[NH2+]1 ZINC000627187492 373845854 /nfs/dbraw/zinc/84/58/54/373845854.db2.gz DCEXZOBLYZYAMX-ZYHUDNBSSA-N 2 0 274.365 -1.413 20 0 CAADRP CC[N@H+](CCO)CCNC(=O)NC[C@H]1COCC[NH2+]1 ZINC000627189953 373846949 /nfs/dbraw/zinc/84/69/49/373846949.db2.gz NXYHTUPFBMFRCY-NSHDSACASA-N 2 0 274.365 -1.412 20 0 CAADRP O=C(NC[C@@H]1COCC[NH2+]1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000627190500 373847155 /nfs/dbraw/zinc/84/71/55/373847155.db2.gz NVADJSWLVMUZNB-GRYCIOLGSA-N 2 0 284.360 -1.565 20 0 CAADRP O=C(NCC[N@H+]1CC[C@H](O)C1)NC[C@@H]1COCC[NH2+]1 ZINC000627191887 373847197 /nfs/dbraw/zinc/84/71/97/373847197.db2.gz JASREXSLHRZDDO-MNOVXSKESA-N 2 0 272.349 -1.659 20 0 CAADRP O=C(NC[C@H]1COCC[NH2+]1)NC[C@H]1COCC[NH2+]1 ZINC000627192223 373847522 /nfs/dbraw/zinc/84/75/22/373847522.db2.gz QQVCAGAXLQIWGH-UWVGGRQHSA-N 2 0 258.322 -1.738 20 0 CAADRP CCO[C@@H]1CN(C(=O)NC[C@H]2COCC[NH2+]2)C[C@H]1C[NH3+] ZINC000627190233 373847812 /nfs/dbraw/zinc/84/78/12/373847812.db2.gz ALAXTSLBTSZSBU-GRYCIOLGSA-N 2 0 286.376 -1.020 20 0 CAADRP C[N@@H+]1CC[C@](O)(CNC(=O)NC[C@@H]2COCC[NH2+]2)C1 ZINC000627190096 373847874 /nfs/dbraw/zinc/84/78/74/373847874.db2.gz UTDGGUGMDBMLSK-PWSUYJOCSA-N 2 0 272.349 -1.659 20 0 CAADRP C[N@@H+]1CC[C@@](O)(CNC(=O)NC[C@H]2COCC[NH2+]2)C1 ZINC000627190094 373847963 /nfs/dbraw/zinc/84/79/63/373847963.db2.gz UTDGGUGMDBMLSK-CMPLNLGQSA-N 2 0 272.349 -1.659 20 0 CAADRP [NH3+]CCCOCCNC(=O)NC[C@H]1COCC[NH2+]1 ZINC000627191618 373848073 /nfs/dbraw/zinc/84/80/73/373848073.db2.gz DWYGIJUTXLNPBF-JTQLQIEISA-N 2 0 260.338 -1.361 20 0 CAADRP CN1CCN(C(=O)NCCOCCC[NH3+])[C@H](C[NH3+])C1 ZINC000627219436 373853189 /nfs/dbraw/zinc/85/31/89/373853189.db2.gz WQHPYZGYKXHKPB-LLVKDONJSA-N 2 0 273.381 -1.364 20 0 CAADRP C[NH+](C)C[C@@](C)(O)CNC(=O)NCCOCCC[NH3+] ZINC000627216720 373853793 /nfs/dbraw/zinc/85/37/93/373853793.db2.gz YKBDWJWTYQNIJM-LBPRGKRZSA-N 2 0 276.381 -1.036 20 0 CAADRP C[N@@H+]1CC[C@@](O)(CNC(=O)NCCOCCC[NH3+])C1 ZINC000627216647 373854136 /nfs/dbraw/zinc/85/41/36/373854136.db2.gz TYCPTHVJUWZWOQ-GFCCVEGCSA-N 2 0 274.365 -1.282 20 0 CAADRP C[C@H](C[NH3+])C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000566203739 373943213 /nfs/dbraw/zinc/94/32/13/373943213.db2.gz PALUMIUWPCMTGB-NXEZZACHSA-N 2 0 256.350 -1.105 20 0 CAADRP C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000565999852 373943601 /nfs/dbraw/zinc/94/36/01/373943601.db2.gz NFLLTRPJGTUUHC-WDEREUQCSA-N 2 0 283.376 -1.190 20 0 CAADRP C[C@H]([NH2+]C1CC1)C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000566204050 373943662 /nfs/dbraw/zinc/94/36/62/373943662.db2.gz DMDPFLBSSPIZFU-VIFPVBQESA-N 2 0 254.334 -1.325 20 0 CAADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)NC[C@@H]1CCC[NH2+]1 ZINC000566237474 373945491 /nfs/dbraw/zinc/94/54/91/373945491.db2.gz VULLOXVUDGGDEZ-ONGXEEELSA-N 2 0 256.350 -1.046 20 0 CAADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@@H]1CCC[NH2+]C1 ZINC000566253043 373945898 /nfs/dbraw/zinc/94/58/98/373945898.db2.gz VNNYUCQRBTVLTB-KOLCDFICSA-N 2 0 256.350 -1.046 20 0 CAADRP CCC[C@H](O)[C@H](CO)[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC000566230698 373945987 /nfs/dbraw/zinc/94/59/87/373945987.db2.gz BEXAHGNEIUGFJC-RDBSUJKOSA-N 2 0 289.420 -1.294 20 0 CAADRP [NH3+]CC1(CC(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)CC1 ZINC000566495198 373949197 /nfs/dbraw/zinc/94/91/97/373949197.db2.gz DJNWXWRQDZIGFP-NXEZZACHSA-N 2 0 266.345 -1.114 20 0 CAADRP CN1CCN(C(=O)C[C@H]2COCC[NH2+]2)[C@H](C[NH3+])C1 ZINC000566854464 373951306 /nfs/dbraw/zinc/95/13/06/373951306.db2.gz PXQRKUYBVHYKSD-WDEREUQCSA-N 2 0 256.350 -1.534 20 0 CAADRP O=C(CNC(=O)NCC[N@H+]1CC=CCC1)N1CC[NH2+]CC1 ZINC000566845830 373951555 /nfs/dbraw/zinc/95/15/55/373951555.db2.gz RJHAEUICDCAMNS-UHFFFAOYSA-N 2 0 295.387 -1.021 20 0 CAADRP C[C@@H]1C[C@H](C)N(C(=O)CNC(=O)C[NH3+])C[C@@H]1C[NH3+] ZINC000566680155 373951797 /nfs/dbraw/zinc/95/17/97/373951797.db2.gz PGQFBLPDZMUDAJ-UTLUCORTSA-N 2 0 256.350 -1.107 20 0 CAADRP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)NC2C[NH2+]C2)C[C@H](C)O1 ZINC000567223242 373953099 /nfs/dbraw/zinc/95/30/99/373953099.db2.gz BEPGVZDIPXPBAQ-PHIMTYICSA-N 2 0 298.387 -1.310 20 0 CAADRP C[C@H]1C[NH+](CCCNC(=O)C(=O)NC2C[NH2+]C2)C[C@H](C)O1 ZINC000567223243 373953471 /nfs/dbraw/zinc/95/34/71/373953471.db2.gz BEPGVZDIPXPBAQ-QWRGUYRKSA-N 2 0 298.387 -1.310 20 0 CAADRP CCN1C[C@@H]([NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)CC1=O ZINC000567464903 373956777 /nfs/dbraw/zinc/95/67/77/373956777.db2.gz ABMYNDKDPQOTAH-QWHCGFSZSA-N 2 0 284.404 -1.195 20 0 CAADRP OC[C@H](CN1CCCC1)[NH2+]C[C@H](O)CN1CCOCC1 ZINC000567873466 373960876 /nfs/dbraw/zinc/96/08/76/373960876.db2.gz WPVWRIHHKJZGAY-KBPBESRZSA-N 2 0 287.404 -1.274 20 0 CAADRP C[C@@H]1CN(C[C@H](O)C[NH2+]C[C@@](C)(O)CO)C[C@H](C)O1 ZINC000567876982 373960979 /nfs/dbraw/zinc/96/09/79/373960979.db2.gz DHTLIYJUFNEVJR-YVECIDJPSA-N 2 0 276.377 -1.211 20 0 CAADRP CN(CC(=O)N1CC[NH2+]CC1)C(=O)[C@@H]1CC[C@H](C[NH3+])O1 ZINC000567754986 373961457 /nfs/dbraw/zinc/96/14/57/373961457.db2.gz MOFJFLNFPSLQSR-MNOVXSKESA-N 2 0 284.360 -1.617 20 0 CAADRP O=C(CC1CC[NH2+]CC1)NCC(=O)N1CC[NH2+]CC1 ZINC000567835445 373962446 /nfs/dbraw/zinc/96/24/46/373962446.db2.gz PNXQJSOEIFEGGI-UHFFFAOYSA-N 2 0 268.361 -1.076 20 0 CAADRP COCC[NH2+]CCNC(=O)[C@@]1(COC)CC[NH2+]C1 ZINC000564449911 373929815 /nfs/dbraw/zinc/92/98/15/373929815.db2.gz MBZLEKLPKXHXEN-LBPRGKRZSA-N 2 0 259.350 -1.035 20 0 CAADRP CN1CCN(C(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)[C@@H](C[NH3+])C1 ZINC000565361751 373936225 /nfs/dbraw/zinc/93/62/25/373936225.db2.gz BGUAAIHQCIESDY-RYUDHWBXSA-N 2 0 297.403 -1.654 20 0 CAADRP CN1CCN(C(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)[C@H](C[NH3+])C1 ZINC000565361747 373936263 /nfs/dbraw/zinc/93/62/63/373936263.db2.gz BGUAAIHQCIESDY-NEPJUHHUSA-N 2 0 297.403 -1.654 20 0 CAADRP CN(CCN1CCOCC1)C(=O)CN1CCNCC1=O ZINC000565478438 373939198 /nfs/dbraw/zinc/93/91/98/373939198.db2.gz RUDPILCTUYZMMW-UHFFFAOYSA-N 2 0 284.360 -1.791 20 0 CAADRP COCC[N@H+](C)CCCNC(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000565962579 373940788 /nfs/dbraw/zinc/94/07/88/373940788.db2.gz WDYPTHNGOOOQAQ-NSHDSACASA-N 2 0 286.376 -1.451 20 0 CAADRP C[NH2+]C[C@@H](C)CNC(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000565832331 373940962 /nfs/dbraw/zinc/94/09/62/373940962.db2.gz SQLFJWFVXCGEEK-NXEZZACHSA-N 2 0 256.350 -1.174 20 0 CAADRP C[NH2+]CCN(C)C(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000565949943 373941971 /nfs/dbraw/zinc/94/19/71/373941971.db2.gz DJPVHVGIGDRIDI-JTQLQIEISA-N 2 0 256.350 -1.078 20 0 CAADRP CCNC(=O)NC(=O)CN1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000578906383 373995254 /nfs/dbraw/zinc/99/52/54/373995254.db2.gz NVOOLAOGQMDFNE-IUCAKERBSA-N 2 0 283.332 -1.924 20 0 CAADRP CO[C@H](C[NH3+])C(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000578739864 373995443 /nfs/dbraw/zinc/99/54/43/373995443.db2.gz SWWIRKVUNIEMAV-GHMZBOCLSA-N 2 0 286.376 -1.194 20 0 CAADRP CN(C)c1nc(C(=O)N2CCN(C)C[C@@H]2C[NH3+])cc(=O)[nH]1 ZINC000578986264 373995503 /nfs/dbraw/zinc/99/55/03/373995503.db2.gz SEPRYMDFCHUZRQ-VIFPVBQESA-N 2 0 294.359 -1.037 20 0 CAADRP CN1CCN(C(=O)CNC(=O)C2CC2)[C@@H](C[NH3+])C1 ZINC000578889138 373995530 /nfs/dbraw/zinc/99/55/30/373995530.db2.gz BSNYVCCDXYPDSL-JTQLQIEISA-N 2 0 254.334 -1.386 20 0 CAADRP CCNC(=O)NC(=O)CN1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000578906379 373995755 /nfs/dbraw/zinc/99/57/55/373995755.db2.gz NVOOLAOGQMDFNE-BDAKNGLRSA-N 2 0 283.332 -1.924 20 0 CAADRP COCC[N@@H+]1CC[C@H](NC(=O)N2CCN(C)C[C@@H]2C[NH3+])C1 ZINC000578742608 373995790 /nfs/dbraw/zinc/99/57/90/373995790.db2.gz AXYDALOIPWHJMB-STQMWFEESA-N 2 0 299.419 -1.009 20 0 CAADRP CO[C@@H](C[NH3+])C(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000578739866 373995898 /nfs/dbraw/zinc/99/58/98/373995898.db2.gz SWWIRKVUNIEMAV-QWRGUYRKSA-N 2 0 286.376 -1.194 20 0 CAADRP [NH3+]CCc1nc(C(=O)NCC(=O)N2CC[NH2+]CC2)cs1 ZINC000579474550 374000530 /nfs/dbraw/zinc/00/05/30/374000530.db2.gz DLLBGUVNXGLPBB-UHFFFAOYSA-N 2 0 297.384 -1.194 20 0 CAADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000579474825 374001138 /nfs/dbraw/zinc/00/11/38/374001138.db2.gz PSRYQLZWPWIEQU-JQWIXIFHSA-N 2 0 285.392 -1.813 20 0 CAADRP O=C(CNC(=O)[C@H]1C[C@]12CC[NH2+]C2)N1CC[NH2+]CC1 ZINC000579956019 374007739 /nfs/dbraw/zinc/00/77/39/374007739.db2.gz WPSMRKOTUKKMFA-MFKMUULPSA-N 2 0 266.345 -1.466 20 0 CAADRP C[NH2+][C@@H](C)C(=O)NCC(=O)NCCN1CCOCC1 ZINC000568234660 373966838 /nfs/dbraw/zinc/96/68/38/373966838.db2.gz XDDPPGQFAAEWLK-JTQLQIEISA-N 2 0 272.349 -1.841 20 0 CAADRP [NH3+][C@H]1C[C@@H]2CN(C(=O)N[C@@H]3[C@H]4C[NH2+]C[C@H]43)CCN2C1=O ZINC000568287621 373970680 /nfs/dbraw/zinc/97/06/80/373970680.db2.gz DYWZEKPSBDCCIC-UVOCVTCTSA-N 2 0 279.344 -1.842 20 0 CAADRP COCCOCCN1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000568769328 373971674 /nfs/dbraw/zinc/97/16/74/373971674.db2.gz FUOXYVNNPGLXDU-GHMZBOCLSA-N 2 0 257.334 -1.107 20 0 CAADRP CN1CC[NH2+]C[C@@H]1CNC(=O)C[NH2+]C[C@H]1CCCO1 ZINC000568620364 373971835 /nfs/dbraw/zinc/97/18/35/373971835.db2.gz YTGFEOKARUWISX-VXGBXAGGSA-N 2 0 270.377 -1.225 20 0 CAADRP COCCOCCN1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000568769333 373971855 /nfs/dbraw/zinc/97/18/55/373971855.db2.gz FUOXYVNNPGLXDU-MNOVXSKESA-N 2 0 257.334 -1.107 20 0 CAADRP COCCOCCN1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000568769334 373972104 /nfs/dbraw/zinc/97/21/04/373972104.db2.gz FUOXYVNNPGLXDU-QWRGUYRKSA-N 2 0 257.334 -1.107 20 0 CAADRP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)NCC[C@@H]1CC[NH2+]C1 ZINC000573367224 373980011 /nfs/dbraw/zinc/98/00/11/373980011.db2.gz NPWZFRSAVGGIGP-QWRGUYRKSA-N 2 0 268.361 -1.030 20 0 CAADRP C[C@H]([NH2+]C1CC1)C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000573267377 373980267 /nfs/dbraw/zinc/98/02/67/373980267.db2.gz GRCMTRMZFZVTSX-GDPRMGEGSA-N 2 0 266.345 -1.103 20 0 CAADRP NC(=O)C[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000573121436 373980296 /nfs/dbraw/zinc/98/02/96/373980296.db2.gz BLDQOVFFPATILQ-SNVBAGLBSA-N 2 0 254.334 -1.385 20 0 CAADRP C[C@H]([NH2+]C1CC1)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000573267378 373980791 /nfs/dbraw/zinc/98/07/91/373980791.db2.gz GRCMTRMZFZVTSX-INTQDDNPSA-N 2 0 266.345 -1.103 20 0 CAADRP COCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]([NH3+])CC(=O)OC)C1 ZINC000573680997 373982628 /nfs/dbraw/zinc/98/26/28/373982628.db2.gz MSIQSJCJYWVZGG-ZJUUUORDSA-N 2 0 273.333 -1.286 20 0 CAADRP COCC[N@H+](C)C[C@@H](O)CN1C[C@H](O)[C@@H]([NH+](C)C)C1 ZINC000573741007 373984424 /nfs/dbraw/zinc/98/44/24/373984424.db2.gz LGJAMQIGHJOJSC-AGIUHOORSA-N 2 0 275.393 -1.468 20 0 CAADRP CCN1CCO[C@@H](C(=O)NC[C@H]2C[NH2+]CCO2)C1 ZINC000578236294 373991518 /nfs/dbraw/zinc/99/15/18/373991518.db2.gz IHSLJSIFFJUFQD-GHMZBOCLSA-N 2 0 257.334 -1.188 20 0 CAADRP O=C(CN1CCNCC1=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000578355104 373991764 /nfs/dbraw/zinc/99/17/64/373991764.db2.gz XFRGXGWHWKLJTD-LBPRGKRZSA-N 2 0 295.387 -2.076 20 0 CAADRP C[NH+](C)C[C@@H]1CCCN1C(=O)CN1CCNCC1=O ZINC000578130605 373991784 /nfs/dbraw/zinc/99/17/84/373991784.db2.gz SOGKIDISQGCAIB-NSHDSACASA-N 2 0 268.361 -1.029 20 0 CAADRP CCN1CCO[C@@H](C(=O)NC[C@@H]2C[NH2+]CCO2)C1 ZINC000578236297 373991920 /nfs/dbraw/zinc/99/19/20/373991920.db2.gz IHSLJSIFFJUFQD-WDEREUQCSA-N 2 0 257.334 -1.188 20 0 CAADRP O=C(CNC(=O)[C@H]1CCC[NH2+]1)NC[C@H]1CCC[NH2+]C1 ZINC000578441984 373993493 /nfs/dbraw/zinc/99/34/93/373993493.db2.gz MRJYJIYWQKFBGC-WDEREUQCSA-N 2 0 268.361 -1.030 20 0 CAADRP C[N@H+](CCNC(=O)C(=O)NC[C@@H]1COCC[NH2+]1)C1CC1 ZINC000627319545 374070762 /nfs/dbraw/zinc/07/07/62/374070762.db2.gz XGOJBGLBNVIXBI-SNVBAGLBSA-N 2 0 284.360 -1.699 20 0 CAADRP CN(CCOCC[NH3+])C(=O)C(=O)NCC[N@H+](C)C1CC1 ZINC000627318999 374070929 /nfs/dbraw/zinc/07/09/29/374070929.db2.gz HBEWFWRDWFFTHV-UHFFFAOYSA-N 2 0 286.376 -1.370 20 0 CAADRP C[N@H+](CCNC(=O)C(=O)NCC1([NH3+])CCOCC1)C1CC1 ZINC000627319098 374072560 /nfs/dbraw/zinc/07/25/60/374072560.db2.gz JNLDMWVEXTZJHT-UHFFFAOYSA-N 2 0 298.387 -1.179 20 0 CAADRP [NH3+]CCCOCCNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000627325522 374073526 /nfs/dbraw/zinc/07/35/26/374073526.db2.gz MNVZFEQVKWXWBA-LLVKDONJSA-N 2 0 298.387 -1.179 20 0 CAADRP C[C@@H](CC[NH+](C)C)NC(=O)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000627325497 374074731 /nfs/dbraw/zinc/07/47/31/374074731.db2.gz LVAHJZPZTRYHAX-WDEREUQCSA-N 2 0 286.376 -1.453 20 0 CAADRP O=C(NCCCC[NH+]1CCOCC1)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000627363395 374116649 /nfs/dbraw/zinc/11/66/49/374116649.db2.gz MXNGJVCGRPXCMT-GFCCVEGCSA-N 2 0 298.387 -1.307 20 0 CAADRP COCC[N@H+](C)CCCNC(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000627384994 374117099 /nfs/dbraw/zinc/11/70/99/374117099.db2.gz WDYPTHNGOOOQAQ-LLVKDONJSA-N 2 0 286.376 -1.451 20 0 CAADRP C[NH+](C)CCOCCNC(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000627393520 374118318 /nfs/dbraw/zinc/11/83/18/374118318.db2.gz BOBAKHUCEAPKEK-SNVBAGLBSA-N 2 0 272.349 -1.841 20 0 CAADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NCCOCC[NH+](C)C ZINC000627394105 374118347 /nfs/dbraw/zinc/11/83/47/374118347.db2.gz XGLFDLGGGVBFRA-WDEREUQCSA-N 2 0 286.376 -1.453 20 0 CAADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N[C@@H]2CC[NH2+]C2)C1 ZINC000627386264 374118730 /nfs/dbraw/zinc/11/87/30/374118730.db2.gz KNRCFFJMYFJAEO-GHMZBOCLSA-N 2 0 284.360 -1.699 20 0 CAADRP CCN(CC[NH3+])C(=O)C(=O)N[C@H]1CC[N@H+](CCOC)C1 ZINC000627386119 374119208 /nfs/dbraw/zinc/11/92/08/374119208.db2.gz GNUXWYMUXDGHJG-NSHDSACASA-N 2 0 286.376 -1.370 20 0 CAADRP CCN(CC[NH3+])C(=O)C(=O)NCCOCC[NH+](C)C ZINC000627393964 374119287 /nfs/dbraw/zinc/11/92/87/374119287.db2.gz RGRPUAGXBXEVCM-UHFFFAOYSA-N 2 0 274.365 -1.512 20 0 CAADRP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NC[C@H]2COCC[NH2+]2)C1 ZINC000627429055 374123010 /nfs/dbraw/zinc/12/30/10/374123010.db2.gz WPJLMATUZPPYJX-NEPJUHHUSA-N 2 0 298.387 -1.309 20 0 CAADRP CN(CCC[NH+](C)C)C(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000627504826 374134713 /nfs/dbraw/zinc/13/47/13/374134713.db2.gz HOXRRPGLDTWGRQ-SNVBAGLBSA-N 2 0 256.350 -1.125 20 0 CAADRP CC[N@@H+]1CCCN(C(=O)C(=O)NC[C@@H]2COCC[NH2+]2)CC1 ZINC000627469881 374127723 /nfs/dbraw/zinc/12/77/23/374127723.db2.gz HFCBGYAJZRBMAO-GFCCVEGCSA-N 2 0 298.387 -1.355 20 0 CAADRP CN(CCC[NH+](C)C)C(=O)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000627470329 374128205 /nfs/dbraw/zinc/12/82/05/374128205.db2.gz PDGHRGFDJYSELM-LLVKDONJSA-N 2 0 286.376 -1.499 20 0 CAADRP CN(CC[NH+]1CCCC1)C(=O)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000627470310 374128549 /nfs/dbraw/zinc/12/85/49/374128549.db2.gz ORHHKUKIGNBGPD-GFCCVEGCSA-N 2 0 298.387 -1.355 20 0 CAADRP COCCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000627504777 374134878 /nfs/dbraw/zinc/13/48/78/374134878.db2.gz GLBHQNAQMCHUCJ-LLVKDONJSA-N 2 0 286.376 -1.499 20 0 CAADRP CC[N@@H+]1CCCN(C(=O)C(=O)NC[C@H]2COCC[NH2+]2)CC1 ZINC000627469882 374129156 /nfs/dbraw/zinc/12/91/56/374129156.db2.gz HFCBGYAJZRBMAO-LBPRGKRZSA-N 2 0 298.387 -1.355 20 0 CAADRP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)NC[C@H]1COCC[NH2+]1 ZINC000627475869 374130491 /nfs/dbraw/zinc/13/04/91/374130491.db2.gz WEWOCFCIFRHICD-RYUDHWBXSA-N 2 0 298.387 -1.356 20 0 CAADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NC[C@H]1COCC[NH2+]1 ZINC000627473630 374130567 /nfs/dbraw/zinc/13/05/67/374130567.db2.gz RPMJDRJTVWQKFL-NWDGAFQWSA-N 2 0 298.387 -1.309 20 0 CAADRP CN(CC[NH+](C)C)C(=O)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000627473586 374131162 /nfs/dbraw/zinc/13/11/62/374131162.db2.gz QXEQZROPPXGVEG-SNVBAGLBSA-N 2 0 272.349 -1.889 20 0 CAADRP CN(CC[NH+](C)C)C(=O)C(=O)NC[C@H]1COCC[NH2+]1 ZINC000627473585 374131378 /nfs/dbraw/zinc/13/13/78/374131378.db2.gz QXEQZROPPXGVEG-JTQLQIEISA-N 2 0 272.349 -1.889 20 0 CAADRP CCN(CC[NH3+])C(=O)C(=O)NCC[N@H+](C)CCOC ZINC000627352795 374085713 /nfs/dbraw/zinc/08/57/13/374085713.db2.gz IXQWMGLTHQKOKK-UHFFFAOYSA-N 2 0 274.365 -1.512 20 0 CAADRP C[N@@H+]1CCC[C@@H](NC(=O)C(=O)NCCOCCC[NH3+])C1 ZINC000627488835 374132723 /nfs/dbraw/zinc/13/27/23/374132723.db2.gz KAOMYQMWNZWOIA-LLVKDONJSA-N 2 0 286.376 -1.322 20 0 CAADRP C[NH+](C)[C@H]1CCCN(C(=O)C(=O)NC[C@@H]2COCC[NH2+]2)C1 ZINC000627475905 374132904 /nfs/dbraw/zinc/13/29/04/374132904.db2.gz WQRHIAAEBHZEMS-NEPJUHHUSA-N 2 0 298.387 -1.356 20 0 CAADRP NC(=O)[C@H]1CCC[N@H+](CCCNc2nc(N)[nH+]c(N)n2)C1 ZINC000623929860 374094468 /nfs/dbraw/zinc/09/44/68/374094468.db2.gz XGJZFDAQGXTWDH-QMMMGPOBSA-N 2 0 294.363 -1.882 20 0 CAADRP COCC[N@H+](C)CCCNc1nc(N)[nH+]c(N)n1 ZINC000623855332 374095187 /nfs/dbraw/zinc/09/51/87/374095187.db2.gz WYCUDUDZTJSWEM-UHFFFAOYSA-N 2 0 255.326 -1.501 20 0 CAADRP C[N@@H+]1CCC[C@H](N2CCN(c3nc(N)[nH+]c(N)n3)CC2)C1 ZINC000623974952 374098038 /nfs/dbraw/zinc/09/80/38/374098038.db2.gz VASXLQFGAALJSD-JTQLQIEISA-N 2 0 292.391 -1.087 20 0 CAADRP C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)NC[C@@H]2COCC[NH2+]2)C1 ZINC000627475908 374133312 /nfs/dbraw/zinc/13/33/12/374133312.db2.gz WQRHIAAEBHZEMS-VXGBXAGGSA-N 2 0 298.387 -1.356 20 0 CAADRP Nc1nc(NC2CC[NH+]([C@@H]3CCOC3)CC2)nc(N)[nH+]1 ZINC000624051192 374104354 /nfs/dbraw/zinc/10/43/54/374104354.db2.gz VIEOMOLLEQZPFV-SECBINFHSA-N 2 0 279.348 -1.216 20 0 CAADRP Nc1nc(NC2CC[NH+]([C@H]3CCOC3)CC2)nc(N)[nH+]1 ZINC000624051193 374106164 /nfs/dbraw/zinc/10/61/64/374106164.db2.gz VIEOMOLLEQZPFV-VIFPVBQESA-N 2 0 279.348 -1.216 20 0 CAADRP Nc1nc(N[C@H](CO)C[NH+]2CCCCC2)nc(N)[nH+]1 ZINC000624209610 374107318 /nfs/dbraw/zinc/10/73/18/374107318.db2.gz MFXLAZNPCGGWPP-QMMMGPOBSA-N 2 0 267.337 -1.623 20 0 CAADRP CN(CC[NH+](C)C)C(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000633078561 374181695 /nfs/dbraw/zinc/18/16/95/374181695.db2.gz MFVWCYGTZKVFAA-PHIMTYICSA-N 2 0 268.361 -1.031 20 0 CAADRP C[N@@H+]1CCC[C@@H](NC(=O)C(=O)N[C@@H]2CC[NH2+]C2)C1 ZINC000627507424 374136612 /nfs/dbraw/zinc/13/66/12/374136612.db2.gz RVKKSTRMMTZUDY-NXEZZACHSA-N 2 0 254.334 -1.325 20 0 CAADRP C[N@@H+]1CCC[C@H](NC(=O)C(=O)N[C@@H]2CC[NH2+]C2)C1 ZINC000627507425 374136629 /nfs/dbraw/zinc/13/66/29/374136629.db2.gz RVKKSTRMMTZUDY-ZJUUUORDSA-N 2 0 254.334 -1.325 20 0 CAADRP [NH3+][C@H]1CCCN(S(=O)(=O)C[C@H]2C[NH2+]CCO2)C1 ZINC000631900191 374151010 /nfs/dbraw/zinc/15/10/10/374151010.db2.gz KDKYAOJZJCZCON-VHSXEESVSA-N 2 0 263.363 -1.272 20 0 CAADRP [NH3+]CC1CCN(S(=O)(=O)C[C@@H]2C[NH2+]CCO2)CC1 ZINC000631901165 374151255 /nfs/dbraw/zinc/15/12/55/374151255.db2.gz STRBKDMAEGQRKF-NSHDSACASA-N 2 0 277.390 -1.025 20 0 CAADRP CC[NH2+]CCCNS(=O)(=O)C[C@H]1C[NH2+]CCO1 ZINC000631902237 374151516 /nfs/dbraw/zinc/15/15/16/374151516.db2.gz WDMCNGQWEZZLPR-SNVBAGLBSA-N 2 0 265.379 -1.106 20 0 CAADRP C[C@@H]1CN(S(=O)(=O)C[C@H]2C[NH2+]CCO2)CC[C@H]1[NH3+] ZINC000631905112 374151669 /nfs/dbraw/zinc/15/16/69/374151669.db2.gz GELLLEPMPHBPPO-GMTAPVOTSA-N 2 0 277.390 -1.026 20 0 CAADRP O=S(=O)(C[C@@H]1C[NH2+]CCO1)N1CCC[NH2+]CC1 ZINC000631901248 374151822 /nfs/dbraw/zinc/15/18/22/374151822.db2.gz WHENEBPINUFKBL-JTQLQIEISA-N 2 0 263.363 -1.400 20 0 CAADRP CN(CCC[NH3+])S(=O)(=O)C[C@H]1C[NH2+]CCO1 ZINC000631905877 374151855 /nfs/dbraw/zinc/15/18/55/374151855.db2.gz XJOYMXKXKHWWOK-SECBINFHSA-N 2 0 251.352 -1.415 20 0 CAADRP [NH3+][C@@H]1CCCN(S(=O)(=O)C[C@H]2C[NH2+]CCO2)C1 ZINC000631900189 374151970 /nfs/dbraw/zinc/15/19/70/374151970.db2.gz KDKYAOJZJCZCON-NXEZZACHSA-N 2 0 263.363 -1.272 20 0 CAADRP C[C@@H]1CN(S(=O)(=O)C[C@H]2C[NH2+]CCO2)CC[C@@H]1[NH3+] ZINC000631905113 374152092 /nfs/dbraw/zinc/15/20/92/374152092.db2.gz GELLLEPMPHBPPO-MXWKQRLJSA-N 2 0 277.390 -1.026 20 0 CAADRP C[C@@H]1C[C@@H](C[NH3+])CN1S(=O)(=O)C[C@H]1C[NH2+]CCO1 ZINC000631931114 374153133 /nfs/dbraw/zinc/15/31/33/374153133.db2.gz GGTGSYOZZWOGEL-OUAUKWLOSA-N 2 0 277.390 -1.026 20 0 CAADRP CC(C)([NH3+])CNS(=O)(=O)C[C@H]1C[NH2+]CCO1 ZINC000631906837 374153415 /nfs/dbraw/zinc/15/34/15/374153415.db2.gz WSUMFLIEZWKODX-MRVPVSSYSA-N 2 0 251.352 -1.369 20 0 CAADRP C[C@@H](CC[NH3+])NS(=O)(=O)C[C@H]1C[NH2+]CCO1 ZINC000631931334 374153475 /nfs/dbraw/zinc/15/34/75/374153475.db2.gz ILKOVVXNFDNOHL-DTWKUNHWSA-N 2 0 251.352 -1.369 20 0 CAADRP CN1CCN(S(=O)(=O)CCC[NH+](C)C)[C@H](C[NH3+])C1 ZINC000631907626 374153883 /nfs/dbraw/zinc/15/38/83/374153883.db2.gz OUVLHDBLIUXYEK-LLVKDONJSA-N 2 0 278.422 -1.157 20 0 CAADRP C[C@H](C[NH3+])CNS(=O)(=O)C[C@H]1C[NH2+]CCO1 ZINC000631931055 374153921 /nfs/dbraw/zinc/15/39/21/374153921.db2.gz FFNJQHWAOIBABM-RKDXNWHRSA-N 2 0 251.352 -1.511 20 0 CAADRP C[C@@H]1CN(S(=O)(=O)C[C@@H]2C[NH2+]CCO2)[C@H](C)C[NH2+]1 ZINC000631930069 374154228 /nfs/dbraw/zinc/15/42/28/374154228.db2.gz WHVWYHBOYNXWTC-MXWKQRLJSA-N 2 0 277.390 -1.013 20 0 CAADRP CC[C@@H]([NH3+])CNS(=O)(=O)C[C@H]1C[NH2+]CCO1 ZINC000631939780 374155827 /nfs/dbraw/zinc/15/58/27/374155827.db2.gz JCWGLNJJGHIAHW-RKDXNWHRSA-N 2 0 251.352 -1.369 20 0 CAADRP C[C@H]([NH3+])[C@H](C)NS(=O)(=O)C[C@H]1C[NH2+]CCO1 ZINC000631939822 374155852 /nfs/dbraw/zinc/15/58/52/374155852.db2.gz KGWZVVZVFAQYIZ-XHNCKOQMSA-N 2 0 251.352 -1.370 20 0 CAADRP CC[C@H]([NH3+])CNS(=O)(=O)C[C@@H]1C[NH2+]CCO1 ZINC000631939779 374156064 /nfs/dbraw/zinc/15/60/64/374156064.db2.gz JCWGLNJJGHIAHW-IUCAKERBSA-N 2 0 251.352 -1.369 20 0 CAADRP CC[NH2+][C@H](C)CNS(=O)(=O)C[C@@H]1C[NH2+]CCO1 ZINC000631933874 374156225 /nfs/dbraw/zinc/15/62/25/374156225.db2.gz LABIGIIARQNSLV-ZJUUUORDSA-N 2 0 265.379 -1.108 20 0 CAADRP CN([C@@H](C[NH3+])C1CC1)S(=O)(=O)C[C@H]1C[NH2+]CCO1 ZINC000631938383 374156631 /nfs/dbraw/zinc/15/66/31/374156631.db2.gz BYMSTMHVIVJZCN-MNOVXSKESA-N 2 0 277.390 -1.026 20 0 CAADRP C[NH2+]CCCN(C)S(=O)(=O)C[C@@H]1C[NH2+]CCO1 ZINC000631945067 374156818 /nfs/dbraw/zinc/15/68/18/374156818.db2.gz OKUKVTDGRYLRDN-JTQLQIEISA-N 2 0 265.379 -1.154 20 0 CAADRP C[C@]1(C[NH3+])CCN(S(=O)(=O)C[C@@H]2C[NH2+]CCO2)C1 ZINC000631935123 374156925 /nfs/dbraw/zinc/15/69/25/374156925.db2.gz DMRIGEYSPFTPQY-WDEREUQCSA-N 2 0 277.390 -1.025 20 0 CAADRP C[C@H](CC[NH3+])NS(=O)(=O)C[C@H]1C[NH2+]CCO1 ZINC000631931336 374156940 /nfs/dbraw/zinc/15/69/40/374156940.db2.gz ILKOVVXNFDNOHL-RKDXNWHRSA-N 2 0 251.352 -1.369 20 0 CAADRP C[C@H]1[C@@H]([NH3+])CCN1S(=O)(=O)C[C@@H]1C[NH2+]CCO1 ZINC000631944480 374156977 /nfs/dbraw/zinc/15/69/77/374156977.db2.gz YTTXRIDNOUMICT-GUBZILKMSA-N 2 0 263.363 -1.274 20 0 CAADRP C[NH2+][C@@H]1CCCN(S(=O)(=O)C[C@H]2C[NH2+]CCO2)C1 ZINC000631934073 374156999 /nfs/dbraw/zinc/15/69/99/374156999.db2.gz ONTWYQIWEKBAMP-GHMZBOCLSA-N 2 0 277.390 -1.012 20 0 CAADRP CN(CCOCC[NH3+])S(=O)(=O)C[C@@H]1C[NH2+]CCO1 ZINC000631956405 374157770 /nfs/dbraw/zinc/15/77/70/374157770.db2.gz VTEQRWDFIFWFRL-JTQLQIEISA-N 2 0 281.378 -1.788 20 0 CAADRP C[C@@H]1[NH2+]CC[C@H]1NS(=O)(=O)C[C@@H]1C[NH2+]CCO1 ZINC000631958141 374157819 /nfs/dbraw/zinc/15/78/19/374157819.db2.gz KISZGWGHRFOMJV-LPEHRKFASA-N 2 0 263.363 -1.355 20 0 CAADRP C[C@@H]1[NH2+]CC[C@H]1NS(=O)(=O)C[C@H]1C[NH2+]CCO1 ZINC000631958140 374158515 /nfs/dbraw/zinc/15/85/15/374158515.db2.gz KISZGWGHRFOMJV-IVZWLZJFSA-N 2 0 263.363 -1.355 20 0 CAADRP C[C@]1(NS(=O)(=O)C[C@@H]2C[NH2+]CCO2)CC[NH2+]C1 ZINC000631953730 374158643 /nfs/dbraw/zinc/15/86/43/374158643.db2.gz RBNOJPCYNVSOES-UWVGGRQHSA-N 2 0 263.363 -1.354 20 0 CAADRP C[C@@H]1C[C@H]([NH3+])CN1S(=O)(=O)C[C@@H]1C[NH2+]CCO1 ZINC000631976040 374158740 /nfs/dbraw/zinc/15/87/40/374158740.db2.gz UCMYQVDTTBMTOT-UTLUCORTSA-N 2 0 263.363 -1.274 20 0 CAADRP C[NH2+]C[C@H](C)NS(=O)(=O)C[C@@H]1C[NH2+]CCO1 ZINC000631952593 374158768 /nfs/dbraw/zinc/15/87/68/374158768.db2.gz NBHBXXSVINKOGU-IUCAKERBSA-N 2 0 251.352 -1.498 20 0 CAADRP CCN(CC[NH3+])S(=O)(=O)C[C@H]1C[NH2+]CCO1 ZINC000631954713 374159027 /nfs/dbraw/zinc/15/90/27/374159027.db2.gz UTPJNVAXLJDHPU-SECBINFHSA-N 2 0 251.352 -1.415 20 0 CAADRP C[NH+](C)CCCS(=O)(=O)NC[C@]1(O)CC[N@H+](C)C1 ZINC000632213356 374166170 /nfs/dbraw/zinc/16/61/70/374166170.db2.gz HAVQHQMMMITZSQ-LLVKDONJSA-N 2 0 279.406 -1.076 20 0 CAADRP COCCN(CC[NH+](C)C)C(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000633088944 374184225 /nfs/dbraw/zinc/18/42/25/374184225.db2.gz JRVBZKPKTWEKSU-RYUDHWBXSA-N 2 0 298.387 -1.404 20 0 CAADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000633118279 374186814 /nfs/dbraw/zinc/18/68/14/374186814.db2.gz IVXRXYPUYUODPU-WISYIIOYSA-N 2 0 296.371 -1.788 20 0 CAADRP O=C(NC1C[NH2+]C1)C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000574551588 335028897 /nfs/dbraw/zinc/02/88/97/335028897.db2.gz ZRMXFXIVGGIOHJ-NSHDSACASA-N 2 0 266.345 -1.229 20 0 CAADRP C[C@@]1(C(=O)NCC(=O)N2CC[NH2+]CC2)CCC[NH2+]1 ZINC000574683936 335039294 /nfs/dbraw/zinc/03/92/94/335039294.db2.gz LNQYZWCMSKGIMH-LBPRGKRZSA-N 2 0 254.334 -1.324 20 0 CAADRP CC[NH+](CC)C[C@@H](F)C(=O)N[C@@H]1CN(CCO)C[C@H]1O ZINC001193456866 781969111 /nfs/dbraw/zinc/96/91/11/781969111.db2.gz YCDAKDCKCAUOFH-IJLUTSLNSA-N 2 0 291.367 -1.180 20 0 CAADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCN([C@@H]2COC[C@H]2O)CC1 ZINC000574735232 335043395 /nfs/dbraw/zinc/04/33/95/335043395.db2.gz UFTUVMLLKHGHTP-YNEHKIRRSA-N 2 0 283.372 -1.016 20 0 CAADRP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](CCN2C(=O)CCC2=O)C1 ZINC000063180445 252077336 /nfs/dbraw/zinc/07/73/36/252077336.db2.gz RNNIHCVQRUZFBP-NSHDSACASA-N 2 0 296.371 -1.078 20 0 CAADRP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](CC(=O)N2CCOCC2)C1 ZINC000063179800 252078181 /nfs/dbraw/zinc/07/81/81/252078181.db2.gz ZNVVQENFNKSEDL-GFCCVEGCSA-N 2 0 298.387 -1.368 20 0 CAADRP C[C@@H](C(=O)NC(N)=O)[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000063180358 252078207 /nfs/dbraw/zinc/07/82/07/252078207.db2.gz FHEPOWHMIPZKDY-IUCAKERBSA-N 2 0 285.348 -1.643 20 0 CAADRP CNC(=O)NC(=O)C[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000063179844 252079077 /nfs/dbraw/zinc/07/90/77/252079077.db2.gz GAAZWDNXEVSUCF-SECBINFHSA-N 2 0 285.348 -1.771 20 0 CAADRP CS(=O)(=O)N[C@@H]1CC[N@H+](CCOCC[NH3+])C1 ZINC000357089901 252145146 /nfs/dbraw/zinc/14/51/46/252145146.db2.gz ZTIMSYXUSROBBY-SECBINFHSA-N 2 0 251.352 -1.415 20 0 CAADRP NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)C[C@@H]1COCC[NH2+]1 ZINC000357169123 252147909 /nfs/dbraw/zinc/14/79/09/252147909.db2.gz CHONZRDDFSLSEC-VXGBXAGGSA-N 2 0 298.387 -1.179 20 0 CAADRP C[N@@H+]1CC[C@@](O)(CNC(=O)[C@H]2C[NH+]3CCN2CCC3)C1 ZINC000358074900 252155137 /nfs/dbraw/zinc/15/51/37/252155137.db2.gz RXRCWRXKHHPHRI-TZMCWYRMSA-N 2 0 282.388 -1.441 20 0 CAADRP CC[NH+]1CCN(CC(=O)N2CCO[C@@H](C[NH3+])C2)CC1 ZINC000358510688 252155419 /nfs/dbraw/zinc/15/54/19/252155419.db2.gz LTBZXYJFLMXZRL-LBPRGKRZSA-N 2 0 270.377 -1.190 20 0 CAADRP C[NH+](C)CCN1C[C@H](C(=O)N2CCO[C@@H](C[NH3+])C2)CC1=O ZINC000358512765 252155460 /nfs/dbraw/zinc/15/54/60/252155460.db2.gz IBCGIFNYBVOAEH-NEPJUHHUSA-N 2 0 298.387 -1.417 20 0 CAADRP O=C(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)[C@H]1C[NH2+]CCO1 ZINC000368836809 252189004 /nfs/dbraw/zinc/18/90/04/252189004.db2.gz ZYIVUGIDTLTXGV-GRYCIOLGSA-N 2 0 269.345 -1.046 20 0 CAADRP C[NH+](C)C[C@@](C)(O)CNC(=O)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000378307825 252208248 /nfs/dbraw/zinc/20/82/48/252208248.db2.gz QHENGAVCZYQORR-OCCSQVGLSA-N 2 0 284.404 -1.195 20 0 CAADRP C[NH+](C)C[C@](C)(O)CNC(=O)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000378307826 252208276 /nfs/dbraw/zinc/20/82/76/252208276.db2.gz QHENGAVCZYQORR-TZMCWYRMSA-N 2 0 284.404 -1.195 20 0 CAADRP C[NH+](C)C[C@](C)(O)CNC(=O)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000378307823 252208797 /nfs/dbraw/zinc/20/87/97/252208797.db2.gz QHENGAVCZYQORR-GXTWGEPZSA-N 2 0 284.404 -1.195 20 0 CAADRP COC(=O)[C@H]1C[C@@H](O)CN1CCC(=O)N1CCN(C)CC1 ZINC000374572808 252200253 /nfs/dbraw/zinc/20/02/53/252200253.db2.gz RBZSEHRODJHHEX-VXGBXAGGSA-N 2 0 299.371 -1.241 20 0 CAADRP CC(=O)NCC[NH2+][C@@H]1CC(=O)N(CCC[NH+](C)C)C1=O ZINC000516191596 252254650 /nfs/dbraw/zinc/25/46/50/252254650.db2.gz RSXWFOCZAASCIK-LLVKDONJSA-N 2 0 284.360 -1.209 20 0 CAADRP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N(CC[NH3+])CCO ZINC000418946386 252248033 /nfs/dbraw/zinc/24/80/33/252248033.db2.gz OPCZORIVHYHZRN-NSHDSACASA-N 2 0 288.392 -1.388 20 0 CAADRP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)NCC[N@@H+]1CCCOCC1 ZINC000515058231 252251880 /nfs/dbraw/zinc/25/18/80/252251880.db2.gz ORQSFTMFGSIDOL-LBPRGKRZSA-N 2 0 298.387 -1.307 20 0 CAADRP O=C(CCOC1C[NH2+]C1)NCCN1CC[NH2+]CC1 ZINC000515351345 252253020 /nfs/dbraw/zinc/25/30/20/252253020.db2.gz KGUYHBWBPZTARZ-UHFFFAOYSA-N 2 0 256.350 -1.614 20 0 CAADRP COCC[N@@H+]1CC[C@@H](NC(=O)COC2C[NH2+]C2)C1 ZINC000430714112 532976260 /nfs/dbraw/zinc/97/62/60/532976260.db2.gz MJXQZAPEQDSIQB-SNVBAGLBSA-N 2 0 257.334 -1.188 20 0 CAADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CC[NH2+][C@H](C)C2)C1 ZINC000419734628 532976499 /nfs/dbraw/zinc/97/64/99/532976499.db2.gz VNPRKGQWAXNLPF-VXGBXAGGSA-N 2 0 298.387 -1.356 20 0 CAADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000262545023 285026803 /nfs/dbraw/zinc/02/68/03/285026803.db2.gz RUGFGXBCMJDHLA-WOPDTQHZSA-N 2 0 271.361 -1.064 20 0 CAADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1C[C@H](O)C[NH2+]1 ZINC000372913153 285037034 /nfs/dbraw/zinc/03/70/34/285037034.db2.gz RUGFGXBCMJDHLA-SDDRHHMPSA-N 2 0 271.361 -1.064 20 0 CAADRP C[NH+](C)[C@@H](C(=O)N[C@@H]1C[N@H+](CCCO)C[C@H]1O)C1CC1 ZINC001193792089 781976835 /nfs/dbraw/zinc/97/68/35/781976835.db2.gz WWLGAUAXIRGTDC-JHJVBQTASA-N 2 0 285.388 -1.130 20 0 CAADRP CC[NH+]1CCN(CC(=O)N2C[C@H](O)[C@@H]([NH+](C)C)C2)CC1 ZINC000576714375 335238791 /nfs/dbraw/zinc/23/87/91/335238791.db2.gz BKZOAWRVRMWJIL-STQMWFEESA-N 2 0 284.404 -1.243 20 0 CAADRP C[C@@H]1C[NH+](C[C@H](O)CNC[C@H](O)C[NH+](C)C)C[C@@H](C)O1 ZINC000517741920 260014408 /nfs/dbraw/zinc/01/44/08/260014408.db2.gz IVTUDXCQHBEUNQ-YIYPIFLZSA-N 2 0 289.420 -1.031 20 0 CAADRP CS(=O)(=O)NCC[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000430603443 533396830 /nfs/dbraw/zinc/39/68/30/533396830.db2.gz KDEVZQQIKMNMAJ-SNVBAGLBSA-N 2 0 292.405 -1.678 20 0 CAADRP O=C(CNC(=O)[C@H]1CCC[NH2+]1)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000647057938 409330121 /nfs/dbraw/zinc/33/01/21/409330121.db2.gz CIZYSZYJYCDBGL-LPEHRKFASA-N 2 0 272.324 -1.329 20 0 CAADRP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](C[C@@H]2CNCCO2)C1 ZINC000662242714 409320236 /nfs/dbraw/zinc/32/02/36/409320236.db2.gz GXRLORWDYOHVJO-NEPJUHHUSA-N 2 0 270.377 -1.238 20 0 CAADRP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](C[C@H]2CNCCO2)C1 ZINC000662242717 409320609 /nfs/dbraw/zinc/32/06/09/409320609.db2.gz GXRLORWDYOHVJO-VXGBXAGGSA-N 2 0 270.377 -1.238 20 0 CAADRP CC1(OCC(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)C[NH2+]C1 ZINC000648136245 409321462 /nfs/dbraw/zinc/32/14/62/409321462.db2.gz LTJOGFVDBICEHY-GFCCVEGCSA-N 2 0 282.388 -1.129 20 0 CAADRP CC1(OCC(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)C[NH2+]C1 ZINC000648138230 409322361 /nfs/dbraw/zinc/32/23/61/409322361.db2.gz XCPACMSCXIPYEN-GFCCVEGCSA-N 2 0 282.388 -1.129 20 0 CAADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000648140914 409322694 /nfs/dbraw/zinc/32/26/94/409322694.db2.gz QDNBVBYLOWYJSD-QXEWZRGKSA-N 2 0 274.340 -1.098 20 0 CAADRP CC1(OCC(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)C[NH2+]C1 ZINC000648138231 409322733 /nfs/dbraw/zinc/32/27/33/409322733.db2.gz XCPACMSCXIPYEN-LBPRGKRZSA-N 2 0 282.388 -1.129 20 0 CAADRP CC(C)OC[C@H]([NH3+])C(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000662429727 409323470 /nfs/dbraw/zinc/32/34/70/409323470.db2.gz SFJUBCCHHMZMGV-MNOVXSKESA-N 2 0 258.366 -1.160 20 0 CAADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000648148266 409323526 /nfs/dbraw/zinc/32/35/26/409323526.db2.gz YLHALPPKIRPRJI-JQWIXIFHSA-N 2 0 286.376 -1.419 20 0 CAADRP [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)C1 ZINC000647728248 409401300 /nfs/dbraw/zinc/40/13/00/409401300.db2.gz QQJKJLRPXYCSMZ-WYUUTHIRSA-N 2 0 280.372 -1.235 20 0 CAADRP [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)C1 ZINC000647728247 409401348 /nfs/dbraw/zinc/40/13/48/409401348.db2.gz QQJKJLRPXYCSMZ-NNYUYHANSA-N 2 0 280.372 -1.235 20 0 CAADRP CC1(OCC(=O)NCC(=O)N2CC[NH2+]CC2)C[NH2+]C1 ZINC000647689522 409383924 /nfs/dbraw/zinc/38/39/24/409383924.db2.gz OKNUNZWCJLQTID-UHFFFAOYSA-N 2 0 270.333 -2.087 20 0 CAADRP C[NH2+]C[C@@](C)(O)C[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000652335480 409393378 /nfs/dbraw/zinc/39/33/78/409393378.db2.gz LKUWUOMDGLKKJP-WCQYABFASA-N 3 0 272.393 -1.256 20 0 CAADRP C[NH2+]C[C@](C)(O)C[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000652335481 409393912 /nfs/dbraw/zinc/39/39/12/409393912.db2.gz LKUWUOMDGLKKJP-YPMHNXCESA-N 3 0 272.393 -1.256 20 0 CAADRP [NH3+]CC1(CCNC(=O)NCC(=O)N2CC[NH2+]CC2)CC1 ZINC000652201321 409394269 /nfs/dbraw/zinc/39/42/69/409394269.db2.gz BVEQGRPPXZYZMA-UHFFFAOYSA-N 2 0 283.376 -1.154 20 0 CAADRP [NH3+]C[C@H](NC(=O)CNC(=O)[C@H]1CCC[NH2+]1)C(F)(F)F ZINC000655516827 409394485 /nfs/dbraw/zinc/39/44/85/409394485.db2.gz ZNQPCYZKYNIKBF-RQJHMYQMSA-N 2 0 282.266 -1.140 20 0 CAADRP [NH3+]C[C@@H](NC(=O)CNC(=O)[C@H]1CCC[NH2+]1)C(F)(F)F ZINC000655516826 409394728 /nfs/dbraw/zinc/39/47/28/409394728.db2.gz ZNQPCYZKYNIKBF-RNFRBKRXSA-N 2 0 282.266 -1.140 20 0 CAADRP [NH3+]CCCN(CCC[NH3+])S(=O)(=O)N1CCCOCC1 ZINC000652371091 409396553 /nfs/dbraw/zinc/39/65/53/409396553.db2.gz HBHYHTKWOCMUGP-UHFFFAOYSA-N 2 0 294.421 -1.047 20 0 CAADRP COCC[NH2+]CCNC(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653127714 409331760 /nfs/dbraw/zinc/33/17/60/409331760.db2.gz XETSMSJRYHYKMP-JQWIXIFHSA-N 2 0 257.334 -1.425 20 0 CAADRP CC[NH+]1CCN(CCNC(=O)[C@]23C[NH2+]C[C@H]2COC3)CC1 ZINC000653125379 409332791 /nfs/dbraw/zinc/33/27/91/409332791.db2.gz XERHBYGVJNDPCG-ZFWWWQNUSA-N 2 0 296.415 -1.024 20 0 CAADRP COCC[N@H+](C)CCNC(=O)[C@H](N)CC[NH+](C)C ZINC000653114652 409332860 /nfs/dbraw/zinc/33/28/60/409332860.db2.gz QPCVBFLLZSMYDK-LLVKDONJSA-N 2 0 260.382 -1.040 20 0 CAADRP CC[NH+]1CCN(CC(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)CC1 ZINC000655296379 409333129 /nfs/dbraw/zinc/33/31/29/409333129.db2.gz MLOSPQOBCZZZED-UONOGXRCSA-N 2 0 296.415 -1.099 20 0 CAADRP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)[C@@H]1C[NH2+]CCO1 ZINC000662660918 409333928 /nfs/dbraw/zinc/33/39/28/409333928.db2.gz ZUEXMKHMOHRITI-NSHDSACASA-N 2 0 286.376 -1.547 20 0 CAADRP O=C(NC[C@@H]1C[NH2+]CCCO1)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653147213 409335143 /nfs/dbraw/zinc/33/51/43/409335143.db2.gz ULXFJALRAMVIOT-GVXVVHGQSA-N 2 0 269.345 -1.283 20 0 CAADRP O=C(N1CC[C@H](N2CC[NH2+]CC2)C1)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653139405 409335465 /nfs/dbraw/zinc/33/54/65/409335465.db2.gz CSRVPXPPEIHHDE-YDHLFZDLSA-N 2 0 294.399 -1.272 20 0 CAADRP O=C(N1CCN([C@H]2CC[NH2+]C2)CC1)C1(O)C[NH2+]C1 ZINC000662781493 409335509 /nfs/dbraw/zinc/33/55/09/409335509.db2.gz XCDSKVPWUJAXQP-JTQLQIEISA-N 2 0 254.334 -2.173 20 0 CAADRP O=C(N1CCN([C@H]2CC[NH2+]C2)CC1)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653140620 409335718 /nfs/dbraw/zinc/33/57/18/409335718.db2.gz IKNMAZKJYODHCU-YDHLFZDLSA-N 2 0 294.399 -1.272 20 0 CAADRP O=C(N1CC[C@@H](N2CC[NH2+]CC2)C1)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653139404 409336277 /nfs/dbraw/zinc/33/62/77/409336277.db2.gz CSRVPXPPEIHHDE-GUTXKFCHSA-N 2 0 294.399 -1.272 20 0 CAADRP O=C(NC[C@H]1C[N@@H+]2CCN1CCC2)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000662908421 409337954 /nfs/dbraw/zinc/33/79/54/409337954.db2.gz UHXFZVLVWYQUMH-WUHRBBMRSA-N 2 0 264.373 -1.042 20 0 CAADRP CN(CC(C)(C)[NH3+])C(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000662965451 409338298 /nfs/dbraw/zinc/33/82/98/409338298.db2.gz KZVJPMSNBMYBEF-WDEREUQCSA-N 2 0 298.387 -1.541 20 0 CAADRP [NH3+]C[C@@H]1CN(C(=O)[C@]23C[NH2+]C[C@H]2COC3)CCCO1 ZINC000653163861 409341869 /nfs/dbraw/zinc/34/18/69/409341869.db2.gz XCWSYFPJSWXXEU-LOWVWBTDSA-N 2 0 269.345 -1.201 20 0 CAADRP [NH3+]CC1(O)CCN(C(=O)[C@]23C[NH2+]C[C@H]2COC3)CC1 ZINC000653165399 409342435 /nfs/dbraw/zinc/34/24/35/409342435.db2.gz JGKCPILHTYBCKX-GWCFXTLKSA-N 2 0 269.345 -1.465 20 0 CAADRP O=C(NC[C@@H]1C[NH2+]CCO1)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653163143 409342499 /nfs/dbraw/zinc/34/24/99/409342499.db2.gz IOEFEFPTEZLJTM-NHCYSSNCSA-N 2 0 255.318 -1.673 20 0 CAADRP COCC[N@@H+]1CCCN(C(=O)[C@H]2C[C@H](O)C[NH2+]2)CC1 ZINC000037826876 409343600 /nfs/dbraw/zinc/34/36/00/409343600.db2.gz UZLACESHIQLBNQ-NWDGAFQWSA-N 2 0 271.361 -1.110 20 0 CAADRP CN(CC(=O)N1CC[NH2+]CC1)C[C@]12C[C@H]1C[NH2+]C2 ZINC000663496581 409345114 /nfs/dbraw/zinc/34/51/14/409345114.db2.gz WQYFSMWJRJKQHG-WCQYABFASA-N 2 0 252.362 -1.041 20 0 CAADRP [NH3+]CC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000237950107 409345583 /nfs/dbraw/zinc/34/55/83/409345583.db2.gz LUXFHHOYIKOLEX-UHFFFAOYSA-N 2 0 254.334 -1.288 20 0 CAADRP [NH3+]CC(=O)NCC(=O)N[C@H]1CC[NH2+]C12CCCC2 ZINC000648210482 409346733 /nfs/dbraw/zinc/34/67/33/409346733.db2.gz SLMGEFZBDUTQEU-VIFPVBQESA-N 2 0 254.334 -1.148 20 0 CAADRP Cn1c(C[N@H+](C)CCN2CC[NH2+]CC2)cc(=O)n(C)c1=O ZINC000071150831 409404147 /nfs/dbraw/zinc/40/41/47/409404147.db2.gz PSMZZVXGTWOKEB-UHFFFAOYSA-N 2 0 295.387 -1.579 20 0 CAADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N(C)CC(=O)N1CC[NH2+]CC1 ZINC000645134223 409407878 /nfs/dbraw/zinc/40/78/78/409407878.db2.gz ALSWAZKSNHDKFU-QWRGUYRKSA-N 2 0 268.361 -1.125 20 0 CAADRP CN(CCN1CC[NH2+]CC1)C(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000647777664 409407962 /nfs/dbraw/zinc/40/79/62/409407962.db2.gz VQWHBKGVCJQKJR-GFCCVEGCSA-N 2 0 297.403 -1.782 20 0 CAADRP CN(CCN1CC[NH2+]CC1)C(=O)COC1(C)C[NH2+]C1 ZINC000647777369 409408020 /nfs/dbraw/zinc/40/80/20/409408020.db2.gz MSJXLPSGIREUAU-UHFFFAOYSA-N 2 0 270.377 -1.272 20 0 CAADRP CN(CC(=O)N1CC[NH2+]CC1)C(=O)[C@@H]1[NH2+]CC1(C)C ZINC000645134194 409408103 /nfs/dbraw/zinc/40/81/03/409408103.db2.gz ADTPOEBPYNCFIH-NSHDSACASA-N 2 0 268.361 -1.125 20 0 CAADRP CN(CC(=O)N1CC[NH2+]CC1)C(=O)COCC[NH3+] ZINC000645134676 409409236 /nfs/dbraw/zinc/40/92/36/409409236.db2.gz OMECFEJGXNDRIH-UHFFFAOYSA-N 2 0 258.322 -2.148 20 0 CAADRP C[N@@H+](CCC(=O)N1CC[NH2+]CC1)CCN1CC[NH2+]CC1 ZINC000647835745 409412875 /nfs/dbraw/zinc/41/28/75/409412875.db2.gz MEAHOSPRYGJHDY-UHFFFAOYSA-N 3 0 283.420 -1.355 20 0 CAADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CCO[C@@H]([C@@H](C)[NH3+])C1 ZINC000647876812 409414371 /nfs/dbraw/zinc/41/43/71/409414371.db2.gz AOEKAQWHPCKVIL-FOGDFJRCSA-N 2 0 286.376 -1.340 20 0 CAADRP CS(=O)(=O)N[C@@H]1CCCN(CCOCC[NH3+])C1 ZINC000647877181 409415371 /nfs/dbraw/zinc/41/53/71/409415371.db2.gz KFVHGIHTFCYTTG-SNVBAGLBSA-N 2 0 265.379 -1.025 20 0 CAADRP CN1CCN(C(=O)COC2(C)C[NH2+]C2)[C@H](C[NH3+])C1 ZINC000647874464 409415400 /nfs/dbraw/zinc/41/54/00/409415400.db2.gz YSPDISYSEKLVFJ-SNVBAGLBSA-N 3 0 256.350 -1.534 20 0 CAADRP C[C@@H]([NH3+])[C@@H]1CN(C(=O)COC2(C)C[NH2+]C2)CCO1 ZINC000647877473 409415487 /nfs/dbraw/zinc/41/54/87/409415487.db2.gz RHSDXVQUVYFSDA-ZJUUUORDSA-N 2 0 257.334 -1.061 20 0 CAADRP C[C@@H]([NH3+])[C@@H]1CN(CCC(=O)N2CC[NH2+]CC2)CCO1 ZINC000647865166 409415574 /nfs/dbraw/zinc/41/55/74/409415574.db2.gz AWYBNYDTTKFBPE-NEPJUHHUSA-N 2 0 270.377 -1.144 20 0 CAADRP CCN1C(=O)[C@@H]2C[N@H+](CCN3CC[NH2+]CC3)CCN2C1=O ZINC000647891618 409415644 /nfs/dbraw/zinc/41/56/44/409415644.db2.gz XYQQWVLLBQMBBJ-LBPRGKRZSA-N 2 0 295.387 -1.140 20 0 CAADRP CCN1C(=O)[C@H]2C[N@H+](CCN3CC[NH2+]CC3)CCN2C1=O ZINC000647891617 409415819 /nfs/dbraw/zinc/41/58/19/409415819.db2.gz XYQQWVLLBQMBBJ-GFCCVEGCSA-N 2 0 295.387 -1.140 20 0 CAADRP C[C@@H]([NH3+])CNC(=O)N(CC[NH+](C)C)CC(=O)N(C)C ZINC000659535591 409421374 /nfs/dbraw/zinc/42/13/74/409421374.db2.gz ALQSVLFKPBPHNG-SNVBAGLBSA-N 2 0 273.381 -1.005 20 0 CAADRP NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)CCOC1C[NH2+]C1 ZINC000349006193 409443271 /nfs/dbraw/zinc/44/32/71/409443271.db2.gz TYAYACJWDQVGSE-GFCCVEGCSA-N 2 0 298.387 -1.179 20 0 CAADRP CN1CCN(C(=O)CNC(=O)[C@@H]2CCC[NH2+]2)[C@H](C[NH3+])C1 ZINC000519600090 409446837 /nfs/dbraw/zinc/44/68/37/409446837.db2.gz NUBAHOQJJUWGBM-MNOVXSKESA-N 3 0 283.376 -2.044 20 0 CAADRP O=C(CNC(=O)[C@@H]1CCC[NH2+]CC1)N1CC[NH2+]CC1 ZINC000653045720 409471529 /nfs/dbraw/zinc/47/15/29/409471529.db2.gz HADUJIPLASUFSQ-LLVKDONJSA-N 2 0 268.361 -1.076 20 0 CAADRP O=C(NCCN1CC[NH2+]CC1)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653045390 409472305 /nfs/dbraw/zinc/47/23/05/409472305.db2.gz IPSFYMVHZQWMTE-AAEUAGOBSA-N 2 0 268.361 -1.756 20 0 CAADRP CN(CCN1CC[NH2+]CC1)C(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653049696 409472877 /nfs/dbraw/zinc/47/28/77/409472877.db2.gz ZNCRCHUHBCRJEP-JSGCOSHPSA-N 2 0 282.388 -1.414 20 0 CAADRP O=C(NCCCN1CC[NH2+]CC1)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653043218 409472885 /nfs/dbraw/zinc/47/28/85/409472885.db2.gz ICJUKAGOWQUPQQ-JSGCOSHPSA-N 2 0 282.388 -1.366 20 0 CAADRP CC(C)[C@H]1CN(C(=O)C(=O)NCC[NH3+])CCN1C ZINC000419841918 409476178 /nfs/dbraw/zinc/47/61/78/409476178.db2.gz VBMQWYDZOFERQR-SNVBAGLBSA-N 2 0 256.350 -1.140 20 0 CAADRP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CCO[C@H](C[NH3+])C2)C1 ZINC000659738129 409475068 /nfs/dbraw/zinc/47/50/68/409475068.db2.gz AGGABRZXPDWZNY-VXGBXAGGSA-N 2 0 298.387 -1.227 20 0 CAADRP CN1CCN(C(=O)C[NH2+]C[C@@H]2CCCO2)[C@@H](C[NH3+])C1 ZINC000646835534 409494907 /nfs/dbraw/zinc/49/49/07/409494907.db2.gz ZDOGXVFAGRLNCT-RYUDHWBXSA-N 2 0 270.377 -1.144 20 0 CAADRP CN1CCN(C(=O)C[NH2+]C[C@H]2CCCO2)[C@@H](C[NH3+])C1 ZINC000646835533 409495998 /nfs/dbraw/zinc/49/59/98/409495998.db2.gz ZDOGXVFAGRLNCT-NWDGAFQWSA-N 2 0 270.377 -1.144 20 0 CAADRP C[C@H]([NH3+])[C@H]1CN(C(=O)C[C@@H]2C[NH2+]CCO2)CCO1 ZINC000646843846 409496905 /nfs/dbraw/zinc/49/69/05/409496905.db2.gz MMISKXBHLPPILI-HBNTYKKESA-N 2 0 257.334 -1.061 20 0 CAADRP O=C(CNC(=O)[C@H]1CCC[NH2+]1)NCC[NH2+]C1CC1 ZINC000646687282 409491735 /nfs/dbraw/zinc/49/17/35/409491735.db2.gz SXNBEWLMDONSBW-SNVBAGLBSA-N 2 0 254.334 -1.277 20 0 CAADRP [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)[C@@H]2C[NH2+]CCO2)C1 ZINC000646667596 409491793 /nfs/dbraw/zinc/49/17/93/409491793.db2.gz JEYNDKKZAUKXJP-QWRGUYRKSA-N 2 0 284.360 -1.712 20 0 CAADRP C[C@H]([NH3+])[C@H]1CN(C(=O)CCOC2C[NH2+]C2)CCO1 ZINC000646842323 409497445 /nfs/dbraw/zinc/49/74/45/409497445.db2.gz ANNLIJKUWXMBHD-GXSJLCMTSA-N 2 0 257.334 -1.061 20 0 CAADRP O=C(C[C@H]1CCC[NH2+]1)NCC(=O)N1CC[NH2+]CC1 ZINC000646637946 409492032 /nfs/dbraw/zinc/49/20/32/409492032.db2.gz GXBALWMRWVYBFO-SNVBAGLBSA-N 2 0 254.334 -1.324 20 0 CAADRP O=C(C[C@@H]1CCC[NH2+]1)NCC(=O)N1CC[NH2+]CC1 ZINC000646637945 409492652 /nfs/dbraw/zinc/49/26/52/409492652.db2.gz GXBALWMRWVYBFO-JTQLQIEISA-N 2 0 254.334 -1.324 20 0 CAADRP C[C@H]([NH3+])[C@H]1CN(C(=O)C[C@H]2COCC[NH2+]2)CCO1 ZINC000646850743 409497209 /nfs/dbraw/zinc/49/72/09/409497209.db2.gz IIMFWSFTCKHNQM-GARJFASQSA-N 2 0 257.334 -1.061 20 0 CAADRP CN1CCN(C(=O)C[NH2+]C[C@@H]2CCCO2)[C@H](C[NH3+])C1 ZINC000646835532 409494671 /nfs/dbraw/zinc/49/46/71/409494671.db2.gz ZDOGXVFAGRLNCT-NEPJUHHUSA-N 2 0 270.377 -1.144 20 0 CAADRP O=C(CNC(=O)NCC12CC(C1)C[NH2+]2)N1CC[NH2+]CC1 ZINC000659508903 409557951 /nfs/dbraw/zinc/55/79/51/409557951.db2.gz SVILMGOUPRZRFE-UHFFFAOYSA-N 2 0 281.360 -1.531 20 0 CAADRP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)NCCC[NH3+] ZINC000659511328 409558047 /nfs/dbraw/zinc/55/80/47/409558047.db2.gz VWSJXMKLQGQEMB-UHFFFAOYSA-N 2 0 273.381 -1.003 20 0 CAADRP C[NH2+]C[C@@H](C)NC(=O)C(=O)NCC[N@H+](C)C1CC1 ZINC000659685111 409561030 /nfs/dbraw/zinc/56/10/30/409561030.db2.gz NXWJHFOXYXMTJS-SECBINFHSA-N 2 0 256.350 -1.079 20 0 CAADRP C[NH+](C)CCC[C@H]1CN(C(=O)C(=O)NCC[NH3+])CCO1 ZINC000659708956 409563512 /nfs/dbraw/zinc/56/35/12/409563512.db2.gz ATONMMSFYAQJIK-NSHDSACASA-N 2 0 286.376 -1.370 20 0 CAADRP C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)NCC[NH3+])CCO1 ZINC000659708955 409565009 /nfs/dbraw/zinc/56/50/09/409565009.db2.gz ATONMMSFYAQJIK-LLVKDONJSA-N 2 0 286.376 -1.370 20 0 CAADRP C[NH2+]C[C@H](C)NC(=O)C(=O)N[C@@H](C)[C@H]1CN(C)CCO1 ZINC000659697706 409565129 /nfs/dbraw/zinc/56/51/29/409565129.db2.gz UGTLATITXNOEDV-GARJFASQSA-N 2 0 286.376 -1.454 20 0 CAADRP C[NH+](C)CCOCCNC(=O)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659707748 409565708 /nfs/dbraw/zinc/56/57/08/409565708.db2.gz IBCWDBGAIAYBHH-UHFFFAOYSA-N 2 0 298.387 -1.451 20 0 CAADRP C[C@@H](NC(=O)C(=O)N(C)CCC[NH3+])[C@H]1CN(C)CCO1 ZINC000659698443 409566437 /nfs/dbraw/zinc/56/64/37/409566437.db2.gz ZWMAJQAVFNYFBD-GHMZBOCLSA-N 2 0 286.376 -1.371 20 0 CAADRP C[C@H]([NH3+])[C@H]1CN(C(=O)C[C@H]2C[NH2+]CCO2)CCO1 ZINC000646843845 409497957 /nfs/dbraw/zinc/49/79/57/409497957.db2.gz MMISKXBHLPPILI-GARJFASQSA-N 2 0 257.334 -1.061 20 0 CAADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)CNC(=O)[C@@H]2CCC[NH2+]2)CCO1 ZINC000646843966 409498412 /nfs/dbraw/zinc/49/84/12/409498412.db2.gz MTVXVFLBSCOSHQ-DCAQKATOSA-N 2 0 284.360 -1.571 20 0 CAADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)C[C@H]2C[NH2+]CCO2)CCO1 ZINC000646843844 409498415 /nfs/dbraw/zinc/49/84/15/409498415.db2.gz MMISKXBHLPPILI-DCAQKATOSA-N 2 0 257.334 -1.061 20 0 CAADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)C[C@H]2COCC[NH2+]2)CCO1 ZINC000646850742 409498431 /nfs/dbraw/zinc/49/84/31/409498431.db2.gz IIMFWSFTCKHNQM-DCAQKATOSA-N 2 0 257.334 -1.061 20 0 CAADRP C[C@@H](C(=O)N(C)CC(=O)N1CC[NH2+]CC1)[NH+](C)C ZINC000649269738 409505237 /nfs/dbraw/zinc/50/52/37/409505237.db2.gz RSMONUKHUUIFIW-JTQLQIEISA-N 2 0 256.350 -1.173 20 0 CAADRP CC[NH+]1CCN(CC(=O)N(C)CCN2CC[NH2+]CC2)CC1 ZINC000649271248 409505805 /nfs/dbraw/zinc/50/58/05/409505805.db2.gz CIEHFBCHOQTZRB-UHFFFAOYSA-N 2 0 297.447 -1.013 20 0 CAADRP C[C@H]1CN(C(=O)CNC(=O)[C@H]2CCC[NH2+]2)CC[NH2+]1 ZINC000573442222 409509761 /nfs/dbraw/zinc/50/97/61/409509761.db2.gz HDSXPUUTZQSWLC-VHSXEESVSA-N 2 0 254.334 -1.325 20 0 CAADRP C[N@@H+]1CCC[C@H](NC(=O)C(=O)N[C@H]2CC[NH2+]C2)C1 ZINC000659731210 409568119 /nfs/dbraw/zinc/56/81/19/409568119.db2.gz RVKKSTRMMTZUDY-UWVGGRQHSA-N 2 0 254.334 -1.325 20 0 CAADRP CO[C@H]1C[C@@H](C(=O)N2C[C@H](O)[C@@H]([NH+](C)C)C2)[N@H+](C)C1 ZINC000655096062 409516516 /nfs/dbraw/zinc/51/65/16/409516516.db2.gz HPEJACBFVOJVES-BJDJZHNGSA-N 2 0 271.361 -1.161 20 0 CAADRP O=C(CCN1CC[N@@H+]2C[C@H](O)C[C@H]2C1)N1CC[NH2+]CC1 ZINC000655947003 409520423 /nfs/dbraw/zinc/52/04/23/409520423.db2.gz PFUVGXNVXZVTJY-QWHCGFSZSA-N 2 0 282.388 -1.441 20 0 CAADRP O=C(NC[C@H]1C[NH2+]CCCO1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000655970900 409522723 /nfs/dbraw/zinc/52/27/23/409522723.db2.gz ZVXDOYLTNAERTL-YNEHKIRRSA-N 2 0 298.387 -1.175 20 0 CAADRP C[C@@H]([NH3+])C[C@H](C)NC(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000656024916 409524329 /nfs/dbraw/zinc/52/43/29/409524329.db2.gz XOPIWMFWFNTDHW-NOOOWODRSA-N 2 0 298.387 -1.494 20 0 CAADRP O=C(N[C@H]1CCC[NH2+]C1)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000656019755 409524641 /nfs/dbraw/zinc/52/46/41/409524641.db2.gz IQRDWKJTRLQERX-SDDRHHMPSA-N 2 0 296.371 -1.868 20 0 CAADRP C[NH2+]CCNC(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000656021539 409524684 /nfs/dbraw/zinc/52/46/84/409524684.db2.gz ABCAVIOZNYGRCE-VHSXEESVSA-N 2 0 270.333 -2.401 20 0 CAADRP O=C(N[C@@H]1CCC[NH2+]C1)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000656019754 409525788 /nfs/dbraw/zinc/52/57/88/409525788.db2.gz IQRDWKJTRLQERX-GRYCIOLGSA-N 2 0 296.371 -1.868 20 0 CAADRP C[NH2+]CCCNC(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000656019554 409526042 /nfs/dbraw/zinc/52/60/42/409526042.db2.gz GAJOMRCCTWQPHF-WDEREUQCSA-N 2 0 284.360 -2.011 20 0 CAADRP O=C(NC[C@H]1CCC[NH2+]1)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000656021898 409526363 /nfs/dbraw/zinc/52/63/63/409526363.db2.gz NXFXZGJZFIHSPY-GRYCIOLGSA-N 2 0 296.371 -1.868 20 0 CAADRP CC(C)([NH3+])CNC(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000656024066 409527126 /nfs/dbraw/zinc/52/71/26/409527126.db2.gz HZSAZZFNPUZHSF-VHSXEESVSA-N 2 0 284.360 -1.883 20 0 CAADRP O=C(NCC[NH2+]C1CC1)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000656022344 409527507 /nfs/dbraw/zinc/52/75/07/409527507.db2.gz WTXKGUHGFZDEQX-NWDGAFQWSA-N 2 0 296.371 -1.868 20 0 CAADRP [NH3+][C@@H]1CCN(C(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)C1 ZINC000656102374 409529280 /nfs/dbraw/zinc/52/92/80/409529280.db2.gz JESSXOGILUZVAB-OUAUKWLOSA-N 2 0 282.344 -2.177 20 0 CAADRP C[C@H](C[NH3+])N(C)C(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000656104191 409529811 /nfs/dbraw/zinc/52/98/11/409529811.db2.gz JVYQWEPBEWVPTI-OUAUKWLOSA-N 2 0 284.360 -1.931 20 0 CAADRP C[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000656102016 409530990 /nfs/dbraw/zinc/53/09/90/409530990.db2.gz ATBMQRLZTSPLSB-SDDRHHMPSA-N 2 0 296.371 -1.916 20 0 CAADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)NC[C@@H]2C[NH2+]CCO2)C1 ZINC000659730070 409569584 /nfs/dbraw/zinc/56/95/84/409569584.db2.gz UWGKXZZNUNMQEG-RYUDHWBXSA-N 2 0 298.387 -1.309 20 0 CAADRP CC(C)OC[C@H]([NH3+])C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000659303541 409554324 /nfs/dbraw/zinc/55/43/24/409554324.db2.gz OORUWQBUCNAIPX-JTQLQIEISA-N 2 0 272.349 -1.713 20 0 CAADRP COC[C@]1(C(=O)N2CCOC3(C[NH2+]C3)C2)CC[NH2+]C1 ZINC000663217902 409620968 /nfs/dbraw/zinc/62/09/68/409620968.db2.gz UHCIWPSZCHYOKP-LBPRGKRZSA-N 2 0 269.345 -1.187 20 0 CAADRP COC[C@@]1(C(=O)N2CCOC3(C[NH2+]C3)C2)CC[NH2+]C1 ZINC000663217900 409622655 /nfs/dbraw/zinc/62/26/55/409622655.db2.gz UHCIWPSZCHYOKP-GFCCVEGCSA-N 2 0 269.345 -1.187 20 0 CAADRP O=C(CCNC(=O)[C@H]1CCC[NH2+]1)N1CCOC2(C[NH2+]C2)C1 ZINC000663491897 409622932 /nfs/dbraw/zinc/62/29/32/409622932.db2.gz MQERLFJKRPCTLY-LLVKDONJSA-N 2 0 296.371 -1.555 20 0 CAADRP C[NH+](C)CCOCCNC(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1 ZINC000664731771 409633022 /nfs/dbraw/zinc/63/30/22/409633022.db2.gz JUJPPOIBXJLWLD-RYUDHWBXSA-N 2 0 288.392 -1.119 20 0 CAADRP CN(CC(=O)N1CC[NH2+]CC1)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662243507 409585963 /nfs/dbraw/zinc/58/59/63/409585963.db2.gz MDWMSXCUKGYZII-GFCCVEGCSA-N 2 0 282.388 -1.129 20 0 CAADRP [NH3+]CCN(CCC(=O)N1CC[NH2+]CC1)C[C@H](O)CO ZINC000662287622 409590310 /nfs/dbraw/zinc/59/03/10/409590310.db2.gz FJHPFLHCNCSHNB-NSHDSACASA-N 2 0 274.365 -2.578 20 0 CAADRP CN1CC[N@H+](CCC(=O)N2CC[NH2+]CC2)CCC1=O ZINC000662314440 409590967 /nfs/dbraw/zinc/59/09/67/409590967.db2.gz PEHDRPILBHZTBR-UHFFFAOYSA-N 2 0 268.361 -1.028 20 0 CAADRP [NH3+]CCN(CCC(=O)N1CC[NH2+]CC1)C[C@@H](O)CO ZINC000662287621 409592001 /nfs/dbraw/zinc/59/20/01/409592001.db2.gz FJHPFLHCNCSHNB-LLVKDONJSA-N 2 0 274.365 -2.578 20 0 CAADRP [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)C2(O)C[NH2+]C2)C1 ZINC000662405513 409595306 /nfs/dbraw/zinc/59/53/06/409595306.db2.gz MNBSAFINWOUXPO-VIFPVBQESA-N 2 0 270.333 -2.366 20 0 CAADRP CC1(C)CC[NH2+][C@@H]1C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000662401755 409595362 /nfs/dbraw/zinc/59/53/62/409595362.db2.gz RJFHSLJFYPDREG-LLVKDONJSA-N 2 0 268.361 -1.078 20 0 CAADRP CC(C)OC[C@H]([NH3+])C(=O)Nc1nc(N2CC[NH2+]CC2)n[nH]1 ZINC000662425480 409595881 /nfs/dbraw/zinc/59/58/81/409595881.db2.gz CXSWNSMFBXBGJF-VIFPVBQESA-N 2 0 297.363 -1.095 20 0 CAADRP CO[C@@H](C[NH3+])CC(=O)N(CC[NH+](C)C)CC(=O)N(C)C ZINC000662659188 409601933 /nfs/dbraw/zinc/60/19/33/409601933.db2.gz JDJXGPXHOHXUGK-LLVKDONJSA-N 2 0 288.392 -1.171 20 0 CAADRP C[C@@H]1C[N@@H+](CCCNC(=O)C2(O)C[NH2+]C2)C[C@H](C)O1 ZINC000662671139 409602816 /nfs/dbraw/zinc/60/28/16/409602816.db2.gz MISITBZOWBOKPB-PHIMTYICSA-N 2 0 271.361 -1.064 20 0 CAADRP CN(CCC[NH+](C)C)CCNC(=O)[C@@H]1C[NH2+]CCO1 ZINC000662636018 409602937 /nfs/dbraw/zinc/60/29/37/409602937.db2.gz XICDSZJJGXKQJD-LBPRGKRZSA-N 2 0 272.393 -1.026 20 0 CAADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C2(O)C[NH2+]C2)C1 ZINC000662668299 409603379 /nfs/dbraw/zinc/60/33/79/409603379.db2.gz KEIPQWHZAKLGSE-NSHDSACASA-N 2 0 271.361 -1.206 20 0 CAADRP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)CNC(=O)C[NH3+] ZINC000662659949 409603409 /nfs/dbraw/zinc/60/34/09/409603409.db2.gz QWFPGRCCYUWUNR-UHFFFAOYSA-N 2 0 287.364 -2.460 20 0 CAADRP [NH3+]CC12CC(C1)CN2C(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000662679556 409604076 /nfs/dbraw/zinc/60/40/76/409604076.db2.gz AFNKKAHLBXXVNY-RUETXSTFSA-N 2 0 266.345 -1.196 20 0 CAADRP C[C@@H]1C[NH+](CCCNC(=O)C2(O)C[NH2+]C2)C[C@@H](C)O1 ZINC000662671137 409604349 /nfs/dbraw/zinc/60/43/49/409604349.db2.gz MISITBZOWBOKPB-GHMZBOCLSA-N 2 0 271.361 -1.064 20 0 CAADRP [NH3+][C@@H]1CCO[C@H]1C1CCN(C(=O)C2(O)C[NH2+]C2)CC1 ZINC000662782996 409606477 /nfs/dbraw/zinc/60/64/77/409606477.db2.gz CNYSQNYYIYKPNI-MNOVXSKESA-N 2 0 269.345 -1.325 20 0 CAADRP CC[NH+]1CCN(CCCNC(=O)C2(O)C[NH2+]C2)CC1 ZINC000662758353 409606621 /nfs/dbraw/zinc/60/66/21/409606621.db2.gz QXGSHUHHZZAOSI-UHFFFAOYSA-N 2 0 270.377 -1.536 20 0 CAADRP CN1CC[NH+](CC2CCN(C(=O)C3(O)C[NH2+]C3)CC2)CC1 ZINC000662788988 409607198 /nfs/dbraw/zinc/60/71/98/409607198.db2.gz YKTPZUXBAJZEBO-UHFFFAOYSA-N 2 0 296.415 -1.193 20 0 CAADRP CC[NH+]1CCN([C@H](C)CNC(=O)C2(O)C[NH2+]C2)CC1 ZINC000662758266 409607896 /nfs/dbraw/zinc/60/78/96/409607896.db2.gz PQWXJZKZLOFFSQ-LLVKDONJSA-N 2 0 270.377 -1.537 20 0 CAADRP COCC1(CNC(=O)C2(O)C[NH2+]C2)CC[NH2+]CC1 ZINC000662778221 409607923 /nfs/dbraw/zinc/60/79/23/409607923.db2.gz YMWJIQIXZBWKJL-UHFFFAOYSA-N 2 0 257.334 -1.547 20 0 CAADRP C[C@H](CNC(=O)C1(O)C[NH2+]C1)C[NH+]1CCN(C)CC1 ZINC000662758363 409608935 /nfs/dbraw/zinc/60/89/35/409608935.db2.gz QYEQHLBJMWRYGG-LLVKDONJSA-N 2 0 270.377 -1.680 20 0 CAADRP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000662874138 409611358 /nfs/dbraw/zinc/61/13/58/409611358.db2.gz MIMHVBRGVCBWQK-PJXYFTJBSA-N 2 0 282.388 -1.070 20 0 CAADRP C[NH2+]C[C@@H](C)NC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000662966919 409615545 /nfs/dbraw/zinc/61/55/45/409615545.db2.gz VVESAAYKAFXQCM-ZJUUUORDSA-N 2 0 256.350 -1.031 20 0 CAADRP C[NH+](C)CCn1ccc(NC(=O)[C@H]2C[NH2+]CCO2)n1 ZINC000430872821 409644803 /nfs/dbraw/zinc/64/48/03/409644803.db2.gz MKQWIARNGKDEBK-SNVBAGLBSA-N 2 0 267.333 -0.628 20 0 CAADRP C[NH+](C)CCn1ccc(NC(=O)[C@@H]2C[NH2+]CCO2)n1 ZINC000430872820 409646590 /nfs/dbraw/zinc/64/65/90/409646590.db2.gz MKQWIARNGKDEBK-JTQLQIEISA-N 2 0 267.333 -0.628 20 0 CAADRP COC[C@@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001195860400 782018263 /nfs/dbraw/zinc/01/82/63/782018263.db2.gz XHCNIVRCJUQFFI-QJPTWQEYSA-N 2 0 289.376 -1.893 20 0 CAADRP C[C@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001195860338 782018755 /nfs/dbraw/zinc/01/87/55/782018755.db2.gz VWNMJLUHVFPREX-HBNTYKKESA-N 2 0 259.350 -1.520 20 0 CAADRP C[NH+](C)[C@@]1(CNC(=O)CNC(=O)C[NH3+])CCSC1 ZINC000347606563 226199268 /nfs/dbraw/zinc/19/92/68/226199268.db2.gz ALHIDWYLHIBZML-LLVKDONJSA-N 2 0 274.390 -1.385 20 0 CAADRP COCCC[N@H+](C)CCNC(=O)CNC(=O)C[NH3+] ZINC000347628947 226205904 /nfs/dbraw/zinc/20/59/04/226205904.db2.gz ZKXGUPLYTPPWOG-UHFFFAOYSA-N 2 0 260.338 -1.854 20 0 CAADRP C[C@@H](O)C[N@@H+]1CCN(C(=O)CNC(=O)C[NH3+])C[C@@H]1C ZINC000347671985 226218120 /nfs/dbraw/zinc/21/81/20/226218120.db2.gz BEMALLDSBLYXTJ-VHSXEESVSA-N 2 0 272.349 -2.025 20 0 CAADRP CN(C(=O)CNC(=O)C[NH3+])[C@H]1CC[N@@H+](C2CC2)C1 ZINC000347660910 226229630 /nfs/dbraw/zinc/22/96/30/226229630.db2.gz UIKRKGGNCWDBBB-JTQLQIEISA-N 2 0 254.334 -1.244 20 0 CAADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)CNC(=O)C[NH3+] ZINC000347694086 226236597 /nfs/dbraw/zinc/23/65/97/226236597.db2.gz QQRKXEVBPCUHJO-JTQLQIEISA-N 2 0 272.349 -1.712 20 0 CAADRP CN(C(=O)C(=O)N1CC[N@@H+]2CCC[C@H]2C1)[C@H]1C[NH2+]C[C@@H]1O ZINC000332084747 228147132 /nfs/dbraw/zinc/14/71/32/228147132.db2.gz DXYWJRODUADHMH-SRVKXCTJSA-N 2 0 296.371 -1.916 20 0 CAADRP COCC[N@H+](C)CCNC(=O)C(=O)NC[C@H]([NH3+])C(C)C ZINC000419356827 230253453 /nfs/dbraw/zinc/25/34/53/230253453.db2.gz NQPZNDAAUNCBOF-NSHDSACASA-N 2 0 288.392 -1.220 20 0 CAADRP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCCOCC[NH+](C)C ZINC000419754904 230256507 /nfs/dbraw/zinc/25/65/07/230256507.db2.gz BIGZNXFJNBOJRD-LLVKDONJSA-N 2 0 286.376 -1.499 20 0 CAADRP COCCN(CC[NH+](C)C)C(=O)C(=O)NC[C@@H](C)C[NH3+] ZINC000419943477 230258253 /nfs/dbraw/zinc/25/82/53/230258253.db2.gz PWZONZRNAUZJNK-NSHDSACASA-N 2 0 288.392 -1.266 20 0 CAADRP COCCN(CC[NH+](C)C)C(=O)C(=O)NC[C@H](C)C[NH3+] ZINC000419943476 230258379 /nfs/dbraw/zinc/25/83/79/230258379.db2.gz PWZONZRNAUZJNK-LLVKDONJSA-N 2 0 288.392 -1.266 20 0 CAADRP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N(C)CC[NH+](C)C ZINC000423612853 230273340 /nfs/dbraw/zinc/27/33/40/230273340.db2.gz UYIYFESBWFHPDU-SNVBAGLBSA-N 2 0 256.350 -1.173 20 0 CAADRP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)[C@@H]2C[C@@H]2[NH3+])cn1 ZINC000424142949 230278030 /nfs/dbraw/zinc/27/80/30/230278030.db2.gz JBBCBWVCMIOXPW-MNOVXSKESA-N 2 0 294.359 -1.153 20 0 CAADRP O=C(NCC[N@@H+]1CCCOCC1)[C@@H]1COCCN1 ZINC000424166051 230278408 /nfs/dbraw/zinc/27/84/08/230278408.db2.gz FUCSMCHLCUVFJF-NSHDSACASA-N 2 0 257.334 -1.187 20 0 CAADRP CN(CC[NH3+])C(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000424001221 230279369 /nfs/dbraw/zinc/27/93/69/230279369.db2.gz GSEPJQJQQLMIFP-JTQLQIEISA-N 2 0 256.350 -1.186 20 0 CAADRP NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)[C@H]1CC[NH2+]1 ZINC000444175200 230335571 /nfs/dbraw/zinc/33/55/71/230335571.db2.gz JIXCWZMATURWJE-ZJUUUORDSA-N 2 0 254.334 -1.196 20 0 CAADRP CN(C(=O)C(=O)N1C[C@@H]2CC[N@H+](C)[C@@H]2C1)[C@H]1C[NH2+]C[C@@H]1O ZINC000518360059 260382818 /nfs/dbraw/zinc/38/28/18/260382818.db2.gz GYGGHBMCQZSDMH-YFKTTZPYSA-N 2 0 296.371 -2.060 20 0 CAADRP CN1CC[NH2+]C[C@@H]1CNC(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000520228284 265693238 /nfs/dbraw/zinc/69/32/38/265693238.db2.gz DPGQGQGHHGVRFC-VXGBXAGGSA-N 2 0 297.403 -1.736 20 0 CAADRP CO[C@@H]1C[NH2+][C@@H](C(=O)N(C)CC(=O)N2CC[NH2+]CC2)C1 ZINC000520396723 265794922 /nfs/dbraw/zinc/79/49/22/265794922.db2.gz HHVCHOGZSNHKIM-WDEREUQCSA-N 2 0 284.360 -1.747 20 0 CAADRP C[NH+](C)CCN1C[C@@H](C(=O)N2CC[NH2+]CC2)CC1=O ZINC000237160107 269086750 /nfs/dbraw/zinc/08/67/50/269086750.db2.gz PFENOYXXUIWBMX-NSHDSACASA-N 2 0 268.361 -1.172 20 0 CAADRP C[NH+](C)C[C@H]1CCN(C(=O)CN2CCNCC2=O)C1 ZINC000517367348 269088719 /nfs/dbraw/zinc/08/87/19/269088719.db2.gz IXNYJKNSDUUJEH-LLVKDONJSA-N 2 0 268.361 -1.172 20 0 CAADRP CN1CCN(C(=O)CCN2C(=O)CCC2=O)[C@@H](C[NH3+])C1 ZINC000517564882 269088759 /nfs/dbraw/zinc/08/87/59/269088759.db2.gz PBZNRIOAUMLYOY-JTQLQIEISA-N 2 0 282.344 -1.373 20 0 CAADRP COC[C@@]1(C(=O)NC[C@@H]2C[NH2+]CCN2C)CC[NH2+]C1 ZINC000518167954 269088815 /nfs/dbraw/zinc/08/88/15/269088815.db2.gz UAEIYDAPVCRHFD-WCQYABFASA-N 2 0 270.377 -1.368 20 0 CAADRP CCNS(=O)(=O)[C@H]1CC[N@H+](CCOCC[NH3+])C1 ZINC000517567243 269088848 /nfs/dbraw/zinc/08/88/48/269088848.db2.gz FHNODDNULJZYNG-JTQLQIEISA-N 2 0 265.379 -1.025 20 0 CAADRP CC(C)(C[NH3+])C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000516980793 269089008 /nfs/dbraw/zinc/08/90/08/269089008.db2.gz CHZFLHBRLROHRD-BDAKNGLRSA-N 2 0 254.334 -1.258 20 0 CAADRP CC(C)NC(=O)CN(C)CC(=O)NC[C@H]1C[NH2+]CCN1C ZINC000517235239 269089042 /nfs/dbraw/zinc/08/90/42/269089042.db2.gz JMRLHRMOXLAUSK-GFCCVEGCSA-N 2 0 299.419 -1.537 20 0 CAADRP CC[NH2+]CCNC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000521464358 269089575 /nfs/dbraw/zinc/08/95/75/269089575.db2.gz SWOZVCBMRCWUMX-UWVGGRQHSA-N 2 0 269.349 -1.451 20 0 CAADRP CCN1C[C@H](C(=O)N2CCN(C)C[C@@H]2C[NH3+])CC1=O ZINC000522001310 269090017 /nfs/dbraw/zinc/09/00/17/269090017.db2.gz PKYSRISQMMVKGF-MNOVXSKESA-N 2 0 268.361 -1.044 20 0 CAADRP C[N@@H+]1CC[C@@H](C(=O)NCC(=O)NCCN2CCOCC2)C1 ZINC000522137990 269090110 /nfs/dbraw/zinc/09/01/10/269090110.db2.gz WFJVJMDZVBOIFQ-GFCCVEGCSA-N 2 0 298.387 -1.497 20 0 CAADRP [NH3+][C@H]1C[C@H]2CN(CC(=O)NC(=O)NC3CC3)CCN2C1=O ZINC000522015659 269090347 /nfs/dbraw/zinc/09/03/47/269090347.db2.gz YVBFLSPOTVXOJM-UWVGGRQHSA-N 2 0 295.343 -1.782 20 0 CAADRP COCC[N@@H+]1CC[C@H](NC(=O)NC[C@@H]2COCC[NH2+]2)C1 ZINC000529310632 269092334 /nfs/dbraw/zinc/09/23/34/269092334.db2.gz RBLLUBYECSBQTR-NWDGAFQWSA-N 2 0 286.376 -1.005 20 0 CAADRP O=C(NC[C@@H]1COCC[NH2+]1)NC[C@H]1C[NH2+]CCCO1 ZINC000529344870 269092424 /nfs/dbraw/zinc/09/24/24/269092424.db2.gz UECRCHZITHNFDT-GHMZBOCLSA-N 2 0 272.349 -1.348 20 0 CAADRP CN1CC[NH2+]C[C@@H]1CNC(=O)NC[C@H]1COCC[NH2+]1 ZINC000529342185 269092461 /nfs/dbraw/zinc/09/24/61/269092461.db2.gz LHGPEBYXVZSBJK-WDEREUQCSA-N 2 0 271.365 -1.822 20 0 CAADRP [NH3+]CCNC(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000529330841 269092812 /nfs/dbraw/zinc/09/28/12/269092812.db2.gz RYZQZKPZPYYVDT-UHFFFAOYSA-N 2 0 284.364 -1.703 20 0 CAADRP O=C(NC[C@H]1COCC[NH2+]1)N1CCOC2(C[NH2+]C2)C1 ZINC000529389016 269093263 /nfs/dbraw/zinc/09/32/63/269093263.db2.gz PVCCXPYSSZLXSF-JTQLQIEISA-N 2 0 270.333 -1.641 20 0 CAADRP O=C(NC[C@H]1COCC[NH2+]1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000529384681 269093321 /nfs/dbraw/zinc/09/33/21/269093321.db2.gz DSCOFUSTDFTNDI-QWHCGFSZSA-N 2 0 297.403 -1.336 20 0 CAADRP O=C(NC[C@H]1COCC[NH2+]1)NC[C@@H]1C[NH2+]CCCO1 ZINC000529344872 269093383 /nfs/dbraw/zinc/09/33/83/269093383.db2.gz UECRCHZITHNFDT-QWRGUYRKSA-N 2 0 272.349 -1.348 20 0 CAADRP CN1CCN(C(=O)NC[C@H]2COCC[NH2+]2)[C@H](C[NH3+])C1 ZINC000529389071 269093497 /nfs/dbraw/zinc/09/34/97/269093497.db2.gz QIWQTRBZPIUFPR-WDEREUQCSA-N 2 0 271.365 -1.741 20 0 CAADRP O=C(NC[C@@H]1COCC[NH2+]1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000529384665 269093555 /nfs/dbraw/zinc/09/35/55/269093555.db2.gz DSCOFUSTDFTNDI-CHWSQXEVSA-N 2 0 297.403 -1.336 20 0 CAADRP O=C(NC[C@@H]1COCC[NH2+]1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000529384805 269093738 /nfs/dbraw/zinc/09/37/38/269093738.db2.gz FFACDXPOODAXQW-OLZOCXBDSA-N 2 0 297.403 -1.336 20 0 CAADRP O=C(NC[C@@H]1COCC[NH2+]1)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000529384801 269093749 /nfs/dbraw/zinc/09/37/49/269093749.db2.gz FFACDXPOODAXQW-CHWSQXEVSA-N 2 0 297.403 -1.336 20 0 CAADRP O=C(NC[C@H]1COCC[NH2+]1)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000529384809 269093806 /nfs/dbraw/zinc/09/38/06/269093806.db2.gz FFACDXPOODAXQW-QWHCGFSZSA-N 2 0 297.403 -1.336 20 0 CAADRP O=C(NC[C@@H]1COCC[NH2+]1)N1CCOC2(C[NH2+]C2)C1 ZINC000529389020 269093831 /nfs/dbraw/zinc/09/38/31/269093831.db2.gz PVCCXPYSSZLXSF-SNVBAGLBSA-N 2 0 270.333 -1.641 20 0 CAADRP C[NH2+]C[C@@](C)(O)CN1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000530222388 269094698 /nfs/dbraw/zinc/09/46/98/269094698.db2.gz JZORRDUVHDKFGN-CQSZACIVSA-N 2 0 299.419 -1.400 20 0 CAADRP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](CCCO)C[C@H]1O ZINC001197049720 782046613 /nfs/dbraw/zinc/04/66/13/782046613.db2.gz RFCFCGVCOPDLER-VXGBXAGGSA-N 2 0 273.377 -1.128 20 0 CAADRP C[NH+](C)[C@@]1(CNC(=O)C(=O)NC2C[NH2+]C2)CCSC1 ZINC000575236990 335086784 /nfs/dbraw/zinc/08/67/84/335086784.db2.gz SMGORBJHNHISSP-GFCCVEGCSA-N 2 0 286.401 -1.372 20 0 CAADRP CC[N@H+](C)CCNC(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000351538006 276304895 /nfs/dbraw/zinc/30/48/95/276304895.db2.gz QHFUBMZMOFIITE-SNVBAGLBSA-N 2 0 256.350 -1.078 20 0 CAADRP C[C@H](C(=O)NC(N)=O)[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000221175425 278148731 /nfs/dbraw/zinc/14/87/31/278148731.db2.gz FHEPOWHMIPZKDY-RKDXNWHRSA-N 2 0 285.348 -1.643 20 0 CAADRP C[C@H]1CC[N@H+](C)CCN1C(=O)C(=O)N1CC[NH2+]CC1 ZINC000423250103 278364747 /nfs/dbraw/zinc/36/47/47/278364747.db2.gz UPRKSRXXPNZLAH-NSHDSACASA-N 2 0 268.361 -1.029 20 0 CAADRP CO[C@H](C[NH3+])C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000353470340 294410314 /nfs/dbraw/zinc/41/03/14/294410314.db2.gz QUCMXZLQTRDGHU-GFCCVEGCSA-N 2 0 298.387 -1.273 20 0 CAADRP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](CCO)C[C@H]1O ZINC001198046825 782061369 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CC(C)[N@H+](C)CC(=O)NCC[NH2+][C@H]1CCNC1=O ZINC001152439287 782067019 /nfs/dbraw/zinc/06/70/19/782067019.db2.gz HHVZLOQEDZLBEE-JTQLQIEISA-N 2 0 256.350 -1.079 20 0 CAADRP C[C@H](C[NH3+])CNC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000570818127 327621332 /nfs/dbraw/zinc/62/13/32/327621332.db2.gz LRZXHZXBLZTCOB-KXUCPTDWSA-N 2 0 269.349 -1.465 20 0 CAADRP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[NH+](CCO)C[C@H]1O ZINC001199097412 782075478 /nfs/dbraw/zinc/07/54/78/782075478.db2.gz ZDEOBQGZQXQARZ-GHMZBOCLSA-N 2 0 259.350 -1.520 20 0 CAADRP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@H+](C[C@H](C)O)C[C@H]1O ZINC001199111786 782074668 /nfs/dbraw/zinc/07/46/68/782074668.db2.gz MACLMMFWXSUYTQ-QJPTWQEYSA-N 2 0 273.377 -1.131 20 0 CAADRP COC[C@@]1(C(=O)N2CCO[C@@H](C[NH3+])C2)CC[NH2+]C1 ZINC000580192775 327727890 /nfs/dbraw/zinc/72/78/90/327727890.db2.gz GRKLEQBXPKNBNX-CMPLNLGQSA-N 2 0 257.334 -1.201 20 0 CAADRP CN(CC(=O)N1CC[NH2+]CC1)C(=O)[C@H]1CCC[NH2+]1 ZINC000582119555 327878632 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CAADRP C[NH2+]CCCNC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000563452525 328067069 /nfs/dbraw/zinc/06/70/69/328067069.db2.gz XMBNLOVWAMYCBT-ZJUUUORDSA-N 2 0 269.349 -1.451 20 0 CAADRP CC[NH2+]CCCNC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000563452561 328067325 /nfs/dbraw/zinc/06/73/25/328067325.db2.gz XUMUIJAJZZYAMK-GHMZBOCLSA-N 2 0 283.376 -1.061 20 0 CAADRP CC1(C)CN(C(=O)NCC(=O)N2CC[NH2+]CC2)CC[NH2+]1 ZINC000563595430 328076193 /nfs/dbraw/zinc/07/61/93/328076193.db2.gz HRFFMQUDQUWIPN-UHFFFAOYSA-N 2 0 283.376 -1.188 20 0 CAADRP COCCN(CC[NH+](C)C)C(=O)C(=O)NC1C[NH2+]C1 ZINC000563645488 328080765 /nfs/dbraw/zinc/08/07/65/328080765.db2.gz WBZGLJKPYAWXCE-UHFFFAOYSA-N 2 0 272.349 -1.889 20 0 CAADRP O=C(CCN1CC[C@H]2OCC[NH2+][C@H]2C1)N1CC[NH2+]CC1 ZINC000571095196 328085176 /nfs/dbraw/zinc/08/51/76/328085176.db2.gz FYADONMOAWJGQJ-QWHCGFSZSA-N 2 0 282.388 -1.129 20 0 CAADRP O=C(CCN1CC[C@H]2OCC[NH2+][C@@H]2C1)N1CC[NH2+]CC1 ZINC000571095194 328085214 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CCC[NH2+]CCNC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000571583109 328135333 /nfs/dbraw/zinc/13/53/33/328135333.db2.gz XMXSWDQCDWSECQ-MNOVXSKESA-N 2 0 283.376 -1.061 20 0 CAADRP CCC[NH2+]CCNC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000571583108 328135364 /nfs/dbraw/zinc/13/53/64/328135364.db2.gz XMXSWDQCDWSECQ-GHMZBOCLSA-N 2 0 283.376 -1.061 20 0 CAADRP O=C(CCOC1C[NH2+]C1)NCC(=O)N1CC[NH2+]CC1 ZINC000571634816 328151023 /nfs/dbraw/zinc/15/10/23/328151023.db2.gz FLNLOGQXABPCSP-UHFFFAOYSA-N 2 0 270.333 -2.087 20 0 CAADRP COC[C@]1(CNC(=O)COC2C[NH2+]C2)CCC[NH2+]1 ZINC000571639930 328156388 /nfs/dbraw/zinc/15/63/88/328156388.db2.gz OFEAKQIFDMHWLH-GFCCVEGCSA-N 2 0 257.334 -1.140 20 0 CAADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCCO[C@H](C[NH2+]CC(N)=O)C1 ZINC001200123044 782092221 /nfs/dbraw/zinc/09/22/21/782092221.db2.gz KNNLKXHYRRJEFF-NEPJUHHUSA-N 2 0 298.387 -1.227 20 0 CAADRP O=C(C[C@H]1CSCC[NH2+]1)NCC(=O)N1CC[NH2+]CC1 ZINC000564835869 327000126 /nfs/dbraw/zinc/00/01/26/327000126.db2.gz GYPORVMUIDGITJ-JTQLQIEISA-N 2 0 286.401 -1.371 20 0 CAADRP COCCC[N@H+](C)CCNC(=O)C(=O)NC1C[NH2+]C1 ZINC000557293278 327000567 /nfs/dbraw/zinc/00/05/67/327000567.db2.gz APBMATMCNJTQBJ-UHFFFAOYSA-N 2 0 272.349 -1.841 20 0 CAADRP O=C(CNC(=O)[C@@H]1CC12CC[NH2+]CC2)N1CC[NH2+]CC1 ZINC000569338876 327087169 /nfs/dbraw/zinc/08/71/69/327087169.db2.gz DHYUOZBBZIDZKN-NSHDSACASA-N 2 0 280.372 -1.076 20 0 CAADRP [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)CCOC2C[NH2+]C2)C1 ZINC000569339238 327096755 /nfs/dbraw/zinc/09/67/55/327096755.db2.gz WUXQUYOIVDNBPS-LLVKDONJSA-N 2 0 298.387 -1.322 20 0 CAADRP [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)COC1C[NH2+]C1 ZINC000569339210 327096762 /nfs/dbraw/zinc/09/67/62/327096762.db2.gz URMJJQXHDQCCAH-NSHDSACASA-N 2 0 298.387 -1.179 20 0 CAADRP [NH3+]CC(=O)NCC(=O)N1C[C@H]([NH3+])Cc2ccccc21 ZINC000516928457 327128907 /nfs/dbraw/zinc/12/89/07/327128907.db2.gz UMICOBCYNCAMPB-SNVBAGLBSA-N 2 0 262.313 -1.022 20 0 CAADRP COC[C@]1(C(=O)NCC(=O)N2CC[NH2+]CC2)CC[NH2+]C1 ZINC000566099379 327134170 /nfs/dbraw/zinc/13/41/70/327134170.db2.gz AJXVRXWVZWPYPS-ZDUSSCGKSA-N 2 0 284.360 -1.840 20 0 CAADRP CCC[NH2+]CCNC(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000566206638 327195367 /nfs/dbraw/zinc/19/53/67/327195367.db2.gz WLNLFWTXEGSWTQ-JTQLQIEISA-N 2 0 256.350 -1.030 20 0 CAADRP CC1(C)CCC[NH2+][C@H]1CNC(=O)CNC(=O)C[NH3+] ZINC000564949378 327253476 /nfs/dbraw/zinc/25/34/76/327253476.db2.gz IBMDGSLKTJHIIY-VIFPVBQESA-N 2 0 256.350 -1.044 20 0 CAADRP COCC[N@H+](C)C[C@H](O)CN1CC[NH+](CCO)[C@H](C)C1 ZINC000573622107 327243508 /nfs/dbraw/zinc/24/35/08/327243508.db2.gz XOWLWFIJTQAXNR-KGLIPLIRSA-N 2 0 289.420 -1.076 20 0 CAADRP COCC[N@H+](C)C[C@@H](O)CN1CC[NH+](CCO)[C@@H](C)C1 ZINC000573622108 327243547 /nfs/dbraw/zinc/24/35/47/327243547.db2.gz XOWLWFIJTQAXNR-UONOGXRCSA-N 2 0 289.420 -1.076 20 0 CAADRP CC(C)[C@@H]([NH3+])CNC(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000564944998 327247653 /nfs/dbraw/zinc/24/76/53/327247653.db2.gz BMVCGXAXSJZETH-UWVGGRQHSA-N 2 0 256.350 -1.046 20 0 CAADRP CC(C)[C@H]([NH3+])CNC(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000564944997 327247889 /nfs/dbraw/zinc/24/78/89/327247889.db2.gz BMVCGXAXSJZETH-NXEZZACHSA-N 2 0 256.350 -1.046 20 0 CAADRP [NH3+]CC[C@@H](NC(=O)CNC(=O)[C@@H]1CCC[NH2+]1)C(F)F ZINC000564954007 327258749 /nfs/dbraw/zinc/25/87/49/327258749.db2.gz JIVYVLSYAAMETK-SFYZADRCSA-N 2 0 278.303 -1.047 20 0 CAADRP CN1CC[NH2+]C[C@H]1CNC(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000574082447 327288453 /nfs/dbraw/zinc/28/84/53/327288453.db2.gz UMEJBPSKEGAKGV-QWRGUYRKSA-N 2 0 283.376 -2.126 20 0 CAADRP COCC[NH2+]C1CCN(C(=O)CN2CCNCC2=O)CC1 ZINC000578333254 327317118 /nfs/dbraw/zinc/31/71/18/327317118.db2.gz AWEXGGHPVPPRCY-UHFFFAOYSA-N 2 0 298.387 -1.355 20 0 CAADRP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NC1C[NH2+]C1 ZINC000578865758 327352262 /nfs/dbraw/zinc/35/22/62/327352262.db2.gz OKWHBSJOROOYQD-KWQFWETISA-N 2 0 266.345 -1.327 20 0 CAADRP CN1CCN(C(=O)C(=O)NCC[N@H+](C)C2CC2)[C@@H](C[NH3+])C1 ZINC000561239519 327378290 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O=C(Nc1nc(N2CC[NH2+]CC2)n[nH]1)[C@H]1CC[NH2+]1 ZINC000582485702 329096518 /nfs/dbraw/zinc/09/65/18/329096518.db2.gz BPEZCKOSZMNBGL-SSDOTTSWSA-N 2 0 251.294 -1.485 20 0 CAADRP [NH3+][C@@H]1C[C@H]2CN(C(=O)N[C@H]3CCC[NH2+]C3)CCN2C1=O ZINC000582617472 329118382 /nfs/dbraw/zinc/11/83/82/329118382.db2.gz PNYCJXONHWPSIF-GARJFASQSA-N 2 0 281.360 -1.308 20 0 CAADRP C[C@H](C[C@H](C)[NH3+])NC(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000583811046 329480492 /nfs/dbraw/zinc/48/04/92/329480492.db2.gz XJSPAYSHLAOLAN-VHSXEESVSA-N 2 0 271.365 -1.157 20 0 CAADRP C[C@H]([NH3+])C[C@H](C)NC(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000583811045 329480610 /nfs/dbraw/zinc/48/06/10/329480610.db2.gz XJSPAYSHLAOLAN-UWVGGRQHSA-N 2 0 271.365 -1.157 20 0 CAADRP C[NH2+]CCC(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000572241050 329960501 /nfs/dbraw/zinc/96/05/01/329960501.db2.gz IUXVIKOPZKSSOV-SNVBAGLBSA-N 2 0 256.350 -1.091 20 0 CAADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000516939448 333087120 /nfs/dbraw/zinc/08/71/20/333087120.db2.gz ZHGVBKQMCGVVAY-NWDGAFQWSA-N 2 0 298.387 -1.309 20 0 CAADRP [NH3+]C[C@@H]1C[N@H+](CCC(=O)N2CC[NH2+]CC2)CCCO1 ZINC000572524317 333185061 /nfs/dbraw/zinc/18/50/61/333185061.db2.gz CSWYMHOZRLHSNV-GFCCVEGCSA-N 3 0 270.377 -1.142 20 0 CAADRP CC(C)[N@H+](C)CC(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000549903392 334208300 /nfs/dbraw/zinc/20/83/00/334208300.db2.gz KYPCFKDCAKXVMH-UHFFFAOYSA-N 2 0 256.350 -1.125 20 0 CAADRP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)NCCOCC[NH+](C)C ZINC000564656197 334515171 /nfs/dbraw/zinc/51/51/71/334515171.db2.gz JELKSEWNKIYZJC-QWRGUYRKSA-N 2 0 288.392 -1.077 20 0 CAADRP C[C@@H]([NH3+])C[C@H](C)NC(=O)C(=O)NCCOCC[NH+](C)C ZINC000564656195 334515332 /nfs/dbraw/zinc/51/53/32/334515332.db2.gz JELKSEWNKIYZJC-MNOVXSKESA-N 2 0 288.392 -1.077 20 0 CAADRP C[C@@H]([NH3+])[C@@H](C)C(=O)N(C)CC(=O)N1CC[NH2+]CC1 ZINC000564894710 334526733 /nfs/dbraw/zinc/52/67/33/334526733.db2.gz RGRMBINDHZIKAZ-NXEZZACHSA-N 2 0 256.350 -1.140 20 0 CAADRP [NH3+]C[C@H]1CCCN1C(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000564944968 334529502 /nfs/dbraw/zinc/52/95/02/334529502.db2.gz XTKPGNKTPWIYSM-NXEZZACHSA-N 2 0 254.334 -1.196 20 0 CAADRP [NH3+][C@@H]1C[C@@H]2CN(C(=O)NC3C[NH2+]C3)CCN2C1=O ZINC000565251045 334548151 /nfs/dbraw/zinc/54/81/51/334548151.db2.gz SQDUBFGFLIRHPV-RKDXNWHRSA-N 2 0 253.306 -2.088 20 0 CAADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000565251430 334548156 /nfs/dbraw/zinc/54/81/56/334548156.db2.gz VXPPNMWHOUDIDB-RHYQMDGZSA-N 2 0 295.387 -1.062 20 0 CAADRP COCC[NH2+]CCNC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000565669693 334586902 /nfs/dbraw/zinc/58/69/02/334586902.db2.gz HUHGCYHCMIQZPF-MNOVXSKESA-N 2 0 299.375 -1.824 20 0 CAADRP CCC[C@H](O)[C@@H](CO)[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC000566230696 334637029 /nfs/dbraw/zinc/63/70/29/334637029.db2.gz BEXAHGNEIUGFJC-MCIONIFRSA-N 2 0 289.420 -1.294 20 0 CAADRP CCN1C[C@H]([NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)CC1=O ZINC000567464901 334722457 /nfs/dbraw/zinc/72/24/57/334722457.db2.gz ABMYNDKDPQOTAH-CHWSQXEVSA-N 2 0 284.404 -1.195 20 0 CAADRP C[NH2+]CCCN(C)C(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000567897545 334773279 /nfs/dbraw/zinc/77/32/79/334773279.db2.gz DZWKITVVHJCXDK-JTQLQIEISA-N 2 0 256.350 -1.078 20 0 CAADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000567913955 334775167 /nfs/dbraw/zinc/77/51/67/334775167.db2.gz UAPLEGHVRZHJGW-SCVCMEIPSA-N 2 0 268.361 -1.094 20 0 CAADRP C[NH+](C)CCN1C(=O)C[C@H]([NH2+]CCn2ncnn2)C1=O ZINC000568161822 334798286 /nfs/dbraw/zinc/79/82/86/334798286.db2.gz JXIZXVJFRNYOAD-VIFPVBQESA-N 2 0 281.320 -2.048 20 0 CAADRP CN(CCC[NH3+])C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000568287974 334812620 /nfs/dbraw/zinc/81/26/20/334812620.db2.gz QNUUFNIUPVQCMD-UHFFFAOYSA-N 2 0 257.338 -1.592 20 0 CAADRP COCC[NH2+]CC(=O)NCCCN1CC[NH2+]CC1 ZINC000568863987 334843078 /nfs/dbraw/zinc/84/30/78/334843078.db2.gz ORKQBMOXKFGVEM-UHFFFAOYSA-N 2 0 258.366 -1.366 20 0 CAADRP O=C(COC1C[NH2+]C1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000568878206 334844719 /nfs/dbraw/zinc/84/47/19/334844719.db2.gz PBKZDSKZFVMTIQ-LLVKDONJSA-N 2 0 268.361 -1.519 20 0 CAADRP CC[NH2+]CCCNC(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000568880221 334844970 /nfs/dbraw/zinc/84/49/70/334844970.db2.gz XRIDIZLQRGTQEX-SNVBAGLBSA-N 2 0 256.350 -1.030 20 0 CAADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N(C)[C@@H]1CC[NH2+]C1 ZINC000573121768 334910642 /nfs/dbraw/zinc/91/06/42/334910642.db2.gz RGRONCLUIPLCNW-KOLCDFICSA-N 2 0 256.350 -1.094 20 0 CAADRP C[C@H]1CN(CCOCC[NH3+])CCN1S(C)(=O)=O ZINC000576346657 335192489 /nfs/dbraw/zinc/19/24/89/335192489.db2.gz UFQAMDWUXOELJS-JTQLQIEISA-N 2 0 265.379 -1.073 20 0 CAADRP C[C@]1(C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)CCC[NH2+]1 ZINC000576598481 335225073 /nfs/dbraw/zinc/22/50/73/335225073.db2.gz NVQMTIJDNLTKMW-OUJBWJOFSA-N 2 0 266.345 -1.101 20 0 CAADRP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000576599672 335225219 /nfs/dbraw/zinc/22/52/19/335225219.db2.gz LGDWDFSAZAEPQH-KKOKHZNYSA-N 2 0 295.387 -1.062 20 0 CAADRP CN(CC(=O)N1CC[NH2+]CC1)C(=O)COC1C[NH2+]C1 ZINC000576866533 335257618 /nfs/dbraw/zinc/25/76/18/335257618.db2.gz BUMADIFLQLFRTO-UHFFFAOYSA-N 2 0 270.333 -2.135 20 0 CAADRP O=C(CNC(=O)[C@]12C[C@H]1CC[NH2+]2)N1CC[NH2+]CC1 ZINC000577054700 335291881 /nfs/dbraw/zinc/29/18/81/335291881.db2.gz INKPAEOBSVTKRV-SKDRFNHKSA-N 2 0 252.318 -1.714 20 0 CAADRP CN(CC(=O)N1CC[NH2+]CC1)C(=O)[C@@]1(C)CC[NH2+]C1 ZINC000577174148 335315638 /nfs/dbraw/zinc/31/56/38/335315638.db2.gz NBSBGCVKCMRGCC-ZDUSSCGKSA-N 2 0 268.361 -1.124 20 0 CAADRP [NH3+]CC(=O)NCC(=O)NC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000577491952 335358755 /nfs/dbraw/zinc/35/87/55/335358755.db2.gz XAHKINLZLMPBNH-MGCOHNPYSA-N 2 0 256.350 -1.057 20 0 CAADRP [NH3+][C@@H]1C[C@@H]2CN(C(=O)[C@H]3CCC[NH2+]C3)CCN2C1=O ZINC000577628189 335382128 /nfs/dbraw/zinc/38/21/28/335382128.db2.gz UEEVRUMNNMPDBB-HBNTYKKESA-N 2 0 266.345 -1.244 20 0 CAADRP CN(CCC[NH+](C)C)C(=O)C(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000577740325 335394934 /nfs/dbraw/zinc/39/49/34/335394934.db2.gz VDMIYCIJQFLUAX-GFCCVEGCSA-N 2 0 299.419 -1.502 20 0 CAADRP O=C(CC[NH2+]C1CC1)NCC(=O)N1CC[NH2+]CC1 ZINC000577767746 335399766 /nfs/dbraw/zinc/39/97/66/335399766.db2.gz KEWHTGBAIXTQOM-UHFFFAOYSA-N 2 0 254.334 -1.324 20 0 CAADRP C[C@H](C[NH3+])NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000577844711 335410415 /nfs/dbraw/zinc/41/04/15/335410415.db2.gz VOXXBELLLRPKMR-LLVKDONJSA-N 3 0 287.408 -1.598 20 0 CAADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000578011542 335458941 /nfs/dbraw/zinc/45/89/41/335458941.db2.gz WNHAGMMIWFIWDR-UWVGGRQHSA-N 2 0 254.334 -1.468 20 0 CAADRP O=C(COC1C[NH2+]C1)Nc1nc(N2CC[NH2+]CC2)n[nH]1 ZINC000578529909 335646175 /nfs/dbraw/zinc/64/61/75/335646175.db2.gz MBTHHDWXYZCBET-UHFFFAOYSA-N 2 0 281.320 -1.859 20 0 CAADRP CO[C@@H](C[NH3+])C(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000578739865 335668215 /nfs/dbraw/zinc/66/82/15/335668215.db2.gz SWWIRKVUNIEMAV-MNOVXSKESA-N 2 0 286.376 -1.194 20 0 CAADRP CCC[C@H]([NH3+])C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000578767428 335672599 /nfs/dbraw/zinc/67/25/99/335672599.db2.gz UTLANZFJJZXLDR-KXUCPTDWSA-N 2 0 254.334 -1.116 20 0 CAADRP CCC[C@H]([NH3+])C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000578767429 335672689 /nfs/dbraw/zinc/67/26/89/335672689.db2.gz UTLANZFJJZXLDR-LPEHRKFASA-N 2 0 254.334 -1.116 20 0 CAADRP C[NH+]1CCN(C[C@H](O)C[NH2+][C@@H]2CC(=O)N(C3CC3)C2)CC1 ZINC000579827398 335899616 /nfs/dbraw/zinc/89/96/16/335899616.db2.gz NBSFIRALCMJAHP-TZMCWYRMSA-N 2 0 296.415 -1.052 20 0 CAADRP C[NH+](C)CCN1C[C@@H](C(=O)NC[C@H]2C[NH2+]CCO2)CC1=O ZINC000579838128 335902406 /nfs/dbraw/zinc/90/24/06/335902406.db2.gz IRPWLQXQMVGDQU-NWDGAFQWSA-N 2 0 298.387 -1.499 20 0 CAADRP C[NH+](C)CCN1C[C@@H](C(=O)NC[C@@H]2C[NH2+]CCO2)CC1=O ZINC000579838129 335902599 /nfs/dbraw/zinc/90/25/99/335902599.db2.gz IRPWLQXQMVGDQU-RYUDHWBXSA-N 2 0 298.387 -1.499 20 0 CAADRP C[NH+](C)[C@H]1CN(C(=O)[C@H]2C[N@@H+]3CCN2CCC3)C[C@@H]1O ZINC000581260556 336033970 /nfs/dbraw/zinc/03/39/70/336033970.db2.gz CYVKXZGNKMFQGC-XQQFMLRXSA-N 2 0 282.388 -1.490 20 0 CAADRP [NH3+][C@H]1C[C@@H]2CN(C(=O)NCC3([NH3+])CCC3)CCN2C1=O ZINC000581322011 336048940 /nfs/dbraw/zinc/04/89/40/336048940.db2.gz GOAPEPQRZJRSDL-ZJUUUORDSA-N 2 0 281.360 -1.179 20 0 CAADRP [NH3+][C@H]1C[C@H]2CN(C(=O)NCC3([NH3+])CCC3)CCN2C1=O ZINC000581322009 336049086 /nfs/dbraw/zinc/04/90/86/336049086.db2.gz GOAPEPQRZJRSDL-UWVGGRQHSA-N 2 0 281.360 -1.179 20 0 CAADRP [NH3+][C@@H]1C[C@@H]2CN(C(=O)N[C@@H]3CCC[NH2+]C3)CCN2C1=O ZINC000581381620 336066040 /nfs/dbraw/zinc/06/60/40/336066040.db2.gz PNYCJXONHWPSIF-GMTAPVOTSA-N 2 0 281.360 -1.308 20 0 CAADRP O=C(CNC(=O)[C@H]1CCC[NH2+]1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000581428385 336075706 /nfs/dbraw/zinc/07/57/06/336075706.db2.gz CQTMUTUYJDLSSZ-OUAUKWLOSA-N 2 0 266.345 -1.468 20 0 CAADRP COC(=O)C[C@H]([NH3+])C(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000581547067 336099915 /nfs/dbraw/zinc/09/99/15/336099915.db2.gz WVFGEBKKVGDBNF-GUBZILKMSA-N 2 0 255.318 -1.055 20 0 CAADRP COC(=O)C[C@H]([NH3+])C(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000581547065 336099962 /nfs/dbraw/zinc/09/99/62/336099962.db2.gz WVFGEBKKVGDBNF-AEJSXWLSSA-N 2 0 255.318 -1.055 20 0 CAADRP CC[NH+]1CCN(CC(=O)N2CCN(C)C[C@@H]2C[NH3+])CC1 ZINC000581550617 336101036 /nfs/dbraw/zinc/10/10/36/336101036.db2.gz HRHZCRPTRONFHP-ZDUSSCGKSA-N 2 0 283.420 -1.275 20 0 CAADRP O=C(C[C@@H]1C[NH2+]CCO1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000581605877 336110928 /nfs/dbraw/zinc/11/09/28/336110928.db2.gz FAZHEPDREVDASZ-CHWSQXEVSA-N 2 0 282.388 -1.129 20 0 CAADRP C[N@H+](CCNC(=O)C(=O)N[C@H]1CC[NH2+]C1)C1CC1 ZINC000581619492 336113818 /nfs/dbraw/zinc/11/38/18/336113818.db2.gz YICIRKXJTCWVEI-VIFPVBQESA-N 2 0 254.334 -1.325 20 0 CAADRP CC(C)[C@@H]([NH3+])C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000581895858 336162375 /nfs/dbraw/zinc/16/23/75/336162375.db2.gz RIOYHDZNIDMRTB-KXUCPTDWSA-N 2 0 254.334 -1.260 20 0 CAADRP C[C@@H]1CN(CCC(=O)N2CC[NH2+]CC2)CC(=O)N1 ZINC000386929888 336182542 /nfs/dbraw/zinc/18/25/42/336182542.db2.gz RDJOOTWZLAOQFE-SNVBAGLBSA-N 2 0 254.334 -1.371 20 0 CAADRP C[N@@H+]1CC[C@H](C(=O)N2CCCO[C@H](C[NH2+]CC(N)=O)C2)C1 ZINC001202057170 782110369 /nfs/dbraw/zinc/11/03/69/782110369.db2.gz DOQGQLBZYDQGAY-NWDGAFQWSA-N 2 0 298.387 -1.370 20 0 CAADRP C[N@@H+]1CC[C@H](C(=O)N2CCCO[C@@H](C[NH2+]CC(N)=O)C2)C1 ZINC001202057171 782109920 /nfs/dbraw/zinc/10/99/20/782109920.db2.gz DOQGQLBZYDQGAY-RYUDHWBXSA-N 2 0 298.387 -1.370 20 0 CAADRP C[C@H]1CN(S(=O)(=O)N2CC[NH2+]CC2)[C@@H](C)C[NH2+]1 ZINC000923634631 782122462 /nfs/dbraw/zinc/12/24/62/782122462.db2.gz PWNVWQNDURASBJ-UWVGGRQHSA-N 2 0 262.379 -1.181 20 0 CAADRP [NH3+][C@@H]1CC[C@H]2CN(S(=O)(=O)N3CC[NH2+]CC3)C[C@@H]12 ZINC000923635618 782122741 /nfs/dbraw/zinc/12/27/41/782122741.db2.gz OIOBDEKXJQETDW-HBNTYKKESA-N 2 0 274.390 -1.195 20 0 CAADRP C[C@@H]1C[NH2+][C@@H](C)CN1S(=O)(=O)N1CC[NH2+]CC1 ZINC000923634632 782123042 /nfs/dbraw/zinc/12/30/42/782123042.db2.gz PWNVWQNDURASBJ-VHSXEESVSA-N 2 0 262.379 -1.181 20 0 CAADRP C[NH+](C)CCN1C(=O)C[C@@]2(CCC[N@H+](CC(N)=O)C2)C1=O ZINC001274062619 782133561 /nfs/dbraw/zinc/13/35/61/782133561.db2.gz UCWAOWIUWUNJPQ-CQSZACIVSA-N 2 0 296.371 -1.126 20 0 CAADRP C[NH+](C)CCN1C(=O)C[C@]2(CCC[N@H+](CC(N)=O)C2)C1=O ZINC001274062617 782133662 /nfs/dbraw/zinc/13/36/62/782133662.db2.gz UCWAOWIUWUNJPQ-AWEZNQCLSA-N 2 0 296.371 -1.126 20 0 CAADRP C[N@@H+]1CC[C@@H](C(=O)N2CCO[C@@H](C[NH2+]CCO)C2)C1 ZINC001280665738 782137618 /nfs/dbraw/zinc/13/76/18/782137618.db2.gz DTDMIGVGPNBESS-NEPJUHHUSA-N 2 0 271.361 -1.253 20 0 CAADRP C[NH+](C)CCN1CC[C@]2(CC[N@H+](C[C@H](O)CO)C2)C1=O ZINC001274563750 782152073 /nfs/dbraw/zinc/15/20/73/782152073.db2.gz BGXWFCPZGURRMX-JSGCOSHPSA-N 2 0 285.388 -1.174 20 0 CAADRP CN(CCO)CCNS(=O)(=O)CCn1ccnc1 ZINC000885800675 582244555 /nfs/dbraw/zinc/24/45/55/582244555.db2.gz FWTAZMANIMBZGE-UHFFFAOYSA-N 2 0 276.362 -1.273 20 0 CAADRP C[NH+](C)C[C@H](N)C(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000876866071 582263548 /nfs/dbraw/zinc/26/35/48/582263548.db2.gz NJVHECUYNWXULO-YUMQZZPRSA-N 2 0 250.293 -1.011 20 0 CAADRP C[NH+](C)C[C@H](N)C(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000876866070 582263551 /nfs/dbraw/zinc/26/35/51/582263551.db2.gz NJVHECUYNWXULO-JGVFFNPUSA-N 2 0 250.293 -1.011 20 0 CAADRP C[NH+](C)C[C@H](N)C(=O)NCC[N@@H+]1CCCOCC1 ZINC000876891137 582263579 /nfs/dbraw/zinc/26/35/79/582263579.db2.gz QVBYJTGZVQKJMK-NSHDSACASA-N 2 0 258.366 -1.286 20 0 CAADRP C[C@H]1CN(C(=O)C(=O)N(C)CC[NH+](C)C)CC[NH2+]1 ZINC000423060187 533797673 /nfs/dbraw/zinc/79/76/73/533797673.db2.gz HOJYRZWHMGPAOB-JTQLQIEISA-N 2 0 256.350 -1.173 20 0 CAADRP C[C@H]1CN(C(=O)C(=O)N2C[C@@H]3CC[N@H+](C)[C@@H]3C2)CC[NH2+]1 ZINC000423672641 533805245 /nfs/dbraw/zinc/80/52/45/533805245.db2.gz FCOXBFKXYGNWAI-SDDRHHMPSA-N 2 0 280.372 -1.031 20 0 CAADRP C[C@@H](C[NH3+])NC(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000262547809 533805612 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C[C@@H]([NH3+])C(=O)N1CCN([C@H](C)C(=O)N2CCOCC2)CC1 ZINC000167570625 534286666 /nfs/dbraw/zinc/28/66/66/534286666.db2.gz VOYCBJDTBIYHKK-VXGBXAGGSA-N 2 0 298.387 -1.275 20 0 CAADRP C[C@@H]([NH3+])C(=O)N[C@@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000178803646 534286746 /nfs/dbraw/zinc/28/67/46/534286746.db2.gz AHNYRQQTGOUYIK-GHMZBOCLSA-N 2 0 284.360 -1.617 20 0 CAADRP O=C(CC[N@@H+]1CCN2C(=O)NC[C@@H]2C1)N1CC[NH2+]CC1 ZINC000091753239 534405047 /nfs/dbraw/zinc/40/50/47/534405047.db2.gz JPZRUFKCQUDQOA-LLVKDONJSA-N 2 0 281.360 -1.482 20 0 CAADRP NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)[C@@H]2C[NH2+]CCO2)C1 ZINC000430899125 534450619 /nfs/dbraw/zinc/45/06/19/534450619.db2.gz YVRPFAOUCOCZMS-RYUDHWBXSA-N 2 0 298.387 -1.322 20 0 CAADRP C[C@@H]1C[N@@H+](CCCNC(=O)CNC(=O)C[NH3+])C[C@H](C)O1 ZINC000262184249 534465284 /nfs/dbraw/zinc/46/52/84/534465284.db2.gz GWTZMMDQIRQENM-PHIMTYICSA-N 2 0 286.376 -1.323 20 0 CAADRP CC1CC[NH+](CCNC(=O)CNC(=O)C[NH3+])CC1 ZINC000040772577 521011695 /nfs/dbraw/zinc/01/16/95/521011695.db2.gz BCXQGWSNJFLBAY-UHFFFAOYSA-N 2 0 256.350 -1.091 20 0 CAADRP C[NH+](C)CCN1C[C@H](C(=O)N[C@H]2CC[NH2+]C2)CC1=O ZINC000126954957 521774339 /nfs/dbraw/zinc/77/43/39/521774339.db2.gz IBPHFILMMIRKMB-MNOVXSKESA-N 2 0 268.361 -1.125 20 0 CAADRP CNC(=O)CC[N@H+](C)CCC(=O)N1CC[NH2+]CC1 ZINC000234348936 524066768 /nfs/dbraw/zinc/06/67/68/524066768.db2.gz BLZMGBHSVZKMKX-UHFFFAOYSA-N 2 0 256.350 -1.124 20 0 CAADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CNC(=O)C[NH3+])C1 ZINC000262277204 528017530 /nfs/dbraw/zinc/01/75/30/528017530.db2.gz XSLACJKFVKZHRG-LLVKDONJSA-N 2 0 286.376 -1.466 20 0 CAADRP CN1CCO[C@H](C(=O)NC2CC(C[NH2+]CCO)C2)C1 ZINC001275214608 782166985 /nfs/dbraw/zinc/16/69/85/782166985.db2.gz CUHVQXKPGSCLEI-MCIGGMRASA-N 2 0 271.361 -1.206 20 0 CAADRP CN1CCO[C@@H](C(=O)NC2CC(C[NH2+]CCO)C2)C1 ZINC001275214607 782167473 /nfs/dbraw/zinc/16/74/73/782167473.db2.gz CUHVQXKPGSCLEI-HTAVTVPLSA-N 2 0 271.361 -1.206 20 0 CAADRP CC[NH+]1CCN(CCNC(=O)C[NH2+]CCOC)CC1 ZINC000431002589 529145766 /nfs/dbraw/zinc/14/57/66/529145766.db2.gz MYDYKQYBXVPHCR-UHFFFAOYSA-N 2 0 272.393 -1.024 20 0 CAADRP CC[NH+]1CCN(CCNC(=O)COC2C[NH2+]C2)CC1 ZINC000431011833 529145819 /nfs/dbraw/zinc/14/58/19/529145819.db2.gz VSSDQCJJZWXKJJ-UHFFFAOYSA-N 2 0 270.377 -1.272 20 0 CAADRP CC[C@H]1CN(C(=O)CNC(=O)C[NH3+])CC[N@@H+]1CCOC ZINC000125231095 529269633 /nfs/dbraw/zinc/26/96/33/529269633.db2.gz FBNOTKSRRMXALK-NSHDSACASA-N 2 0 286.376 -1.370 20 0 CAADRP CC[C@@H]1CN(C(=O)CNC(=O)C[NH3+])CC[N@@H+]1C[C@@H](C)O ZINC000262377407 529363031 /nfs/dbraw/zinc/36/30/31/529363031.db2.gz JVBSBXKLJORRDK-GHMZBOCLSA-N 2 0 286.376 -1.635 20 0 CAADRP CC1(OCC(=O)NC[C@H]2C[N@@H+]3CCN2CCC3)C[NH2+]C1 ZINC000394392561 545498390 /nfs/dbraw/zinc/49/83/90/545498390.db2.gz RMZUIKBVMXSXDQ-LBPRGKRZSA-N 2 0 282.388 -1.129 20 0 CAADRP CO[C@@H](C[NH3+])CC(=O)NC[C@H]1C[N@@H+]2CCN1CCC2 ZINC000394371995 545497843 /nfs/dbraw/zinc/49/78/43/545497843.db2.gz GPZSQDJORNWALF-NWDGAFQWSA-N 2 0 270.377 -1.144 20 0 CAADRP CO[C@H](C[NH3+])CC(=O)NC[C@H]1C[N@@H+]2CCN1CCC2 ZINC000394371996 545497863 /nfs/dbraw/zinc/49/78/63/545497863.db2.gz GPZSQDJORNWALF-RYUDHWBXSA-N 2 0 270.377 -1.144 20 0 CAADRP O=C(NC[C@H]1C[N@@H+]2CCN1CCC2)[C@@H]1C[NH2+]CCO1 ZINC000394388944 545498689 /nfs/dbraw/zinc/49/86/89/545498689.db2.gz NRHBYZPUXJONOH-RYUDHWBXSA-N 2 0 268.361 -1.519 20 0 CAADRP O=C(C[C@H]1COCC[NH2+]1)NC[C@H]1C[N@@H+]2CCN1CCC2 ZINC000394391814 545498812 /nfs/dbraw/zinc/49/88/12/545498812.db2.gz MBUNFQDMCVQUFD-STQMWFEESA-N 2 0 282.388 -1.129 20 0 CAADRP CCO[C@@H]1CN(C(=O)CNC(=O)[C@@H]2CCC[NH2+]2)C[C@H]1C[NH3+] ZINC000653247867 545504326 /nfs/dbraw/zinc/50/43/26/545504326.db2.gz VXCHEZLBRMYCBT-GRYCIOLGSA-N 2 0 298.387 -1.323 20 0 CAADRP CC1(OCC(=O)N2CCCO[C@H](C[NH3+])C2)C[NH2+]C1 ZINC000648177620 545505775 /nfs/dbraw/zinc/50/57/75/545505775.db2.gz JZQSSWOCYZBPCO-SNVBAGLBSA-N 2 0 257.334 -1.059 20 0 CAADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1 ZINC000664083473 545509999 /nfs/dbraw/zinc/50/99/99/545509999.db2.gz RJUQBUQHXBGCOC-AVGNSLFASA-N 2 0 299.419 -1.452 20 0 CAADRP C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)NC2C[NH2+]C2)CCO1 ZINC000659713644 545545902 /nfs/dbraw/zinc/54/59/02/545545902.db2.gz GXKFVWQBKOPVIH-GFCCVEGCSA-N 2 0 298.387 -1.356 20 0 CAADRP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NCC2C[NH2+]C2)C1 ZINC000659714495 545546654 /nfs/dbraw/zinc/54/66/54/545546654.db2.gz MHOTYFYKJUXTIK-LLVKDONJSA-N 2 0 268.361 -1.078 20 0 CAADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)NCC2C[NH2+]C2)C1 ZINC000659714497 545546688 /nfs/dbraw/zinc/54/66/88/545546688.db2.gz MHOTYFYKJUXTIK-NSHDSACASA-N 2 0 268.361 -1.078 20 0 CAADRP C[NH+](C)C(C)(C)CNC(=O)CN1CCNCC1=O ZINC000237078654 545548075 /nfs/dbraw/zinc/54/80/75/545548075.db2.gz VTPPHSNFQYOZBU-UHFFFAOYSA-N 2 0 256.350 -1.125 20 0 CAADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)COC1(C)C[NH2+]C1 ZINC000098061786 545550865 /nfs/dbraw/zinc/55/08/65/545550865.db2.gz QCVLMSFKYVGFBX-NSHDSACASA-N 2 0 270.377 -1.273 20 0 CAADRP CN(CCN1CCOCC1)C(=O)[C@@H]1C[NH2+]CCO1 ZINC000645887107 545551665 /nfs/dbraw/zinc/55/16/65/545551665.db2.gz TUCSHRKAORVGME-NSHDSACASA-N 2 0 257.334 -1.235 20 0 CAADRP [NH3+]CC(=O)NCC(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000645953137 545554317 /nfs/dbraw/zinc/55/43/17/545554317.db2.gz DINQYBTVLUYDIR-JTQLQIEISA-N 2 0 254.334 -1.338 20 0 CAADRP C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)NCCOCC[NH+](C)C ZINC000564656198 545563788 /nfs/dbraw/zinc/56/37/88/545563788.db2.gz JELKSEWNKIYZJC-WDEREUQCSA-N 2 0 288.392 -1.077 20 0 CAADRP O=C(C(=O)N1CCC[NH2+]CC1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000405332006 545559140 /nfs/dbraw/zinc/55/91/40/545559140.db2.gz ZXRPRQOCHWNTAJ-NWDGAFQWSA-N 2 0 296.371 -1.914 20 0 CAADRP O=C(N1CCC(C[NH+]2CCOCC2)CC1)C1(O)C[NH2+]C1 ZINC000662683624 545576203 /nfs/dbraw/zinc/57/62/03/545576203.db2.gz UGZLPGAHRXUNAJ-UHFFFAOYSA-N 2 0 283.372 -1.109 20 0 CAADRP C[NH+](C)[C@]1(CNC(=O)C2(O)C[NH2+]C2)CCSC1 ZINC000662682304 545576382 /nfs/dbraw/zinc/57/63/82/545576382.db2.gz QXFSDDLLZWIOQL-JTQLQIEISA-N 2 0 259.375 -1.126 20 0 CAADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C2(O)C[NH2+]C2)CC1 ZINC000662715104 545577974 /nfs/dbraw/zinc/57/79/74/545577974.db2.gz FJJBCQBWCMZWDF-UHFFFAOYSA-N 2 0 298.387 -1.667 20 0 CAADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)C1(O)C[NH2+]C1 ZINC000662710748 545578491 /nfs/dbraw/zinc/57/84/91/545578491.db2.gz JIKGLUCOWLZLQX-LLVKDONJSA-N 2 0 298.387 -1.620 20 0 CAADRP COCCC[NH+]1CCC(NC(=O)C2(O)C[NH2+]C2)CC1 ZINC000662712431 545578583 /nfs/dbraw/zinc/57/85/83/545578583.db2.gz SDIYJKLBIVMERI-UHFFFAOYSA-N 2 0 271.361 -1.062 20 0 CAADRP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)NCC12CC(C1)C[NH2+]2 ZINC000662717927 545578693 /nfs/dbraw/zinc/57/86/93/545578693.db2.gz DXVBTWYNPQIFGH-QUNCOHTASA-N 2 0 266.345 -1.277 20 0 CAADRP O=C(N1CC[NH+](CC2CCOCC2)CC1)C1(O)C[NH2+]C1 ZINC000662734161 545579737 /nfs/dbraw/zinc/57/97/37/545579737.db2.gz ZIIIZPKWJFYOPV-UHFFFAOYSA-N 2 0 283.372 -1.109 20 0 CAADRP O=C(N1CC[NH+](C[C@H]2CCOC2)CC1)C1(O)C[NH2+]C1 ZINC000662750597 545579763 /nfs/dbraw/zinc/57/97/63/545579763.db2.gz OQMFUYSTKLBLOM-LLVKDONJSA-N 2 0 269.345 -1.499 20 0 CAADRP O=C(N1CC[C@@H](C[NH+]2CCOCC2)C1)C1(O)C[NH2+]C1 ZINC000662746828 545580208 /nfs/dbraw/zinc/58/02/08/545580208.db2.gz SLRRHKXKJRJMDC-NSHDSACASA-N 2 0 269.345 -1.499 20 0 CAADRP O=C(N1CC[NH+](C[C@@H]2CCOC2)CC1)C1(O)C[NH2+]C1 ZINC000662750599 545580269 /nfs/dbraw/zinc/58/02/69/545580269.db2.gz OQMFUYSTKLBLOM-NSHDSACASA-N 2 0 269.345 -1.499 20 0 CAADRP O=C(NC[C@@H]1C[N@@H+]2CCN1CCC2)C1(O)C[NH2+]C1 ZINC000662909083 545581262 /nfs/dbraw/zinc/58/12/62/545581262.db2.gz YGNMIVSTSIQFFI-SNVBAGLBSA-N 2 0 254.334 -2.173 20 0 CAADRP O=C(NC[C@H]1C[N@@H+]2CCN1CCC2)[C@]12C[NH2+]C[C@H]1COC2 ZINC000662909255 545581318 /nfs/dbraw/zinc/58/13/18/545581318.db2.gz YWBYPGXTNKTGEK-YDHLFZDLSA-N 2 0 294.399 -1.272 20 0 CAADRP [NH3+]C[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1C[N@@H+]2CCN1CCC2 ZINC000662906786 545581470 /nfs/dbraw/zinc/58/14/70/545581470.db2.gz LPQLVUUYTSCLSQ-AVGNSLFASA-N 2 0 282.388 -1.144 20 0 CAADRP [NH3+]C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000662906787 545581570 /nfs/dbraw/zinc/58/15/70/545581570.db2.gz LPQLVUUYTSCLSQ-UPJWGTAASA-N 2 0 282.388 -1.144 20 0 CAADRP O=C(CCOC1C[NH2+]C1)NC[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000662907874 545581634 /nfs/dbraw/zinc/58/16/34/545581634.db2.gz YDGRKFGINFMROW-GFCCVEGCSA-N 2 0 282.388 -1.129 20 0 CAADRP COCCN(CC[NH+](C)C)C(=O)C(=O)N(C)CCC[NH3+] ZINC000662929877 545582120 /nfs/dbraw/zinc/58/21/20/545582120.db2.gz IEVHZBIQCZMUNI-UHFFFAOYSA-N 2 0 288.392 -1.170 20 0 CAADRP CC[NH+](CC)CCNC(=O)C(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000642801232 582109788 /nfs/dbraw/zinc/10/97/88/582109788.db2.gz JWPCAUZRPUYYOF-LBPRGKRZSA-N 2 0 299.419 -1.454 20 0 CAADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000891539727 582110285 /nfs/dbraw/zinc/11/02/85/582110285.db2.gz DKGRQGIKQHDIAH-SRVKXCTJSA-N 2 0 267.377 -1.012 20 0 CAADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000891970197 582110526 /nfs/dbraw/zinc/11/05/26/582110526.db2.gz IUPHDLPETFHDKN-ZJUUUORDSA-N 2 0 269.349 -1.451 20 0 CAADRP CCN(C(=O)NCC(=O)N1CC[NH2+]CC1)[C@@H]1CC[NH2+]C1 ZINC000891970440 582110586 /nfs/dbraw/zinc/11/05/86/582110586.db2.gz KEWUNRATEGZVBY-LLVKDONJSA-N 2 0 283.376 -1.188 20 0 CAADRP CC(C)([NH3+])CCNC(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000891970640 582110595 /nfs/dbraw/zinc/11/05/95/582110595.db2.gz NHYXQHZKIBFSGV-UHFFFAOYSA-N 2 0 271.365 -1.155 20 0 CAADRP [NH3+][C@@H]1CCC[C@H](NC(=O)NCC(=O)N2CC[NH2+]CC2)C1 ZINC000891970360 582110598 /nfs/dbraw/zinc/11/05/98/582110598.db2.gz FUOGGDSDPYKSNR-MNOVXSKESA-N 2 0 283.376 -1.013 20 0 CAADRP [NH3+][C@H]1C[C@H](CNC(=O)NCCN2CC[NH2+]CC2)C1 ZINC000891973113 582110688 /nfs/dbraw/zinc/11/06/88/582110688.db2.gz PKNLNMQTCJFHDZ-XYPYZODXSA-N 2 0 255.366 -1.072 20 0 CAADRP O=C(CNC(=O)N1CCC[C@@H]2[NH2+]CC[C@H]21)N1CC[NH2+]CC1 ZINC000891971825 582110731 /nfs/dbraw/zinc/11/07/31/582110731.db2.gz YWMLFRCZXODNBC-NWDGAFQWSA-N 2 0 295.387 -1.046 20 0 CAADRP C[C@@H](C[NH3+])NC(=O)N(CC[NH+](C)C)CC(=O)N(C)C ZINC000851663727 582111892 /nfs/dbraw/zinc/11/18/92/582111892.db2.gz HIABHPKDGXMZNM-JTQLQIEISA-N 2 0 273.381 -1.005 20 0 CAADRP C[N@@H+]1CC[C@](O)(CNC(=O)C2C[NH+]([C@H]3CCOC3)C2)C1 ZINC000897397995 582117286 /nfs/dbraw/zinc/11/72/86/582117286.db2.gz PLTBEPKVFJWJHE-JSGCOSHPSA-N 2 0 283.372 -1.110 20 0 CAADRP C[N@@H+]1CC[C@](O)(CNC(=O)C2C[NH+]([C@@H]3CCOC3)C2)C1 ZINC000897397996 582117304 /nfs/dbraw/zinc/11/73/04/582117304.db2.gz PLTBEPKVFJWJHE-OCCSQVGLSA-N 2 0 283.372 -1.110 20 0 CAADRP CC[NH+]1CCN(CC(=O)NCC[N@H+](C)CCO)CC1 ZINC000899734350 582122476 /nfs/dbraw/zinc/12/24/76/582122476.db2.gz BETOBXVMRLRIQP-UHFFFAOYSA-N 2 0 272.393 -1.336 20 0 CAADRP C[N@H+](CCO)CCNC(=O)C1C[NH+]([C@H]2CCOC2)C1 ZINC000899741985 582122486 /nfs/dbraw/zinc/12/24/86/582122486.db2.gz YHFAKNXKQAUZGB-LBPRGKRZSA-N 2 0 271.361 -1.253 20 0 CAADRP C[N@H+](CCO)CCNC(=O)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000899741984 582122612 /nfs/dbraw/zinc/12/26/12/582122612.db2.gz YHFAKNXKQAUZGB-GFCCVEGCSA-N 2 0 271.361 -1.253 20 0 CAADRP O=C(CCOC1C[NH2+]C1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000646363856 582123595 /nfs/dbraw/zinc/12/35/95/582123595.db2.gz CMQJDPZWWSABTM-LBPRGKRZSA-N 2 0 282.388 -1.129 20 0 CAADRP [NH3+]CC(=O)NCC(=O)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000649321045 582126180 /nfs/dbraw/zinc/12/61/80/582126180.db2.gz JOGTUFOTXPWJRL-GHMZBOCLSA-N 2 0 284.360 -1.881 20 0 CAADRP [NH3+]CC(=O)NCC(=O)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000649321046 582126193 /nfs/dbraw/zinc/12/61/93/582126193.db2.gz JOGTUFOTXPWJRL-MNOVXSKESA-N 2 0 284.360 -1.881 20 0 CAADRP [NH3+]CC(=O)NCC(=O)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000649321047 582126196 /nfs/dbraw/zinc/12/61/96/582126196.db2.gz JOGTUFOTXPWJRL-QWRGUYRKSA-N 2 0 284.360 -1.881 20 0 CAADRP O[C@@H]1C[NH+](CCCCCC[N@@H+]2C[C@@H](O)[C@@H](O)C2)C[C@@H]1O ZINC000750836053 582143129 /nfs/dbraw/zinc/14/31/29/582143129.db2.gz BFACSCAZMQUXNG-KPWCQOOUSA-N 2 0 288.388 -1.378 20 0 CAADRP C[NH+]1CCC(C[N@@H+]2CCN3C(=O)C(=O)NC[C@@H]3C2)CC1 ZINC000788488868 582162044 /nfs/dbraw/zinc/16/20/44/582162044.db2.gz SVRROZAIZKITPY-GFCCVEGCSA-N 2 0 280.372 -1.029 20 0 CAADRP COC(=O)C[C@H]([NH3+])C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000827936241 582193606 /nfs/dbraw/zinc/19/36/06/582193606.db2.gz HOEYZQFWZHQJKS-AXFHLTTASA-N 2 0 285.344 -1.144 20 0 CAADRP CC1(C(N)=O)C[NH+](CCOCC[NH+]2CC(C)(C(N)=O)C2)C1 ZINC000829069924 582196575 /nfs/dbraw/zinc/19/65/75/582196575.db2.gz IUCQWBSRYPCZNB-UHFFFAOYSA-N 2 0 298.387 -1.383 20 0 CAADRP CN1CCN(C(=O)CO[C@@H]2CCC[NH2+]C2)[C@@H](C[NH3+])C1 ZINC000843356716 582213896 /nfs/dbraw/zinc/21/38/96/582213896.db2.gz WTPAAPKKYIFGOT-NWDGAFQWSA-N 2 0 270.377 -1.144 20 0 CAADRP CN1CCN(C(=O)CO[C@H]2CCC[NH2+]C2)[C@H](C[NH3+])C1 ZINC000843356715 582213921 /nfs/dbraw/zinc/21/39/21/582213921.db2.gz WTPAAPKKYIFGOT-NEPJUHHUSA-N 2 0 270.377 -1.144 20 0 CAADRP [NH3+]C[C@@H]1CN(C(=O)CO[C@@H]2CCC[NH2+]C2)CCO1 ZINC000843463115 582214590 /nfs/dbraw/zinc/21/45/90/582214590.db2.gz ZCWSDXDBVIEXPW-GHMZBOCLSA-N 2 0 257.334 -1.059 20 0 CAADRP CN(CCC[NH3+])C(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000851685009 582229168 /nfs/dbraw/zinc/22/91/68/582229168.db2.gz OMSUAPGYZFWCNG-NWDGAFQWSA-N 2 0 298.387 -1.227 20 0 CAADRP CN(CCC[NH3+])C(=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000851685011 582229205 /nfs/dbraw/zinc/22/92/05/582229205.db2.gz OMSUAPGYZFWCNG-RYUDHWBXSA-N 2 0 298.387 -1.227 20 0 CAADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N(CC[NH3+])CCO)C1 ZINC000851692281 582229460 /nfs/dbraw/zinc/22/94/60/582229460.db2.gz XZOXBRGUBRQMRO-NSHDSACASA-N 2 0 286.376 -1.634 20 0 CAADRP [NH3+]C[C@H]1CC(C(=O)NCCN2CC[NH2+]CC2)=NO1 ZINC000852793166 582230637 /nfs/dbraw/zinc/23/06/37/582230637.db2.gz SOAZAJUWRHCNDF-SECBINFHSA-N 2 0 255.322 -1.889 20 0 CAADRP COCC[N@H+](C)CCNC(=O)C1=NO[C@@H](C[NH3+])C1 ZINC000852863460 582231541 /nfs/dbraw/zinc/23/15/41/582231541.db2.gz GDRYNLGGVSUIGH-SECBINFHSA-N 2 0 258.322 -1.216 20 0 CAADRP CC[NH+]1CCN(CCNC(=O)C2=NO[C@@H](C[NH3+])C2)CC1 ZINC000852873298 582231547 /nfs/dbraw/zinc/23/15/47/582231547.db2.gz REXWTDYRRZZAMB-LLVKDONJSA-N 2 0 283.376 -1.156 20 0 CAADRP COCC[N@@H+]1CC[C@H](NC(=O)C2=NO[C@@H](C[NH3+])C2)C1 ZINC000852867529 582231587 /nfs/dbraw/zinc/23/15/87/582231587.db2.gz XCBNDOJSCVXVPT-VHSXEESVSA-N 2 0 270.333 -1.073 20 0 CAADRP O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)C1(O)C[NH2+]C1 ZINC000852863648 582231598 /nfs/dbraw/zinc/23/15/98/582231598.db2.gz HVKCWANUUIIPAC-NXEZZACHSA-N 2 0 255.318 -1.700 20 0 CAADRP COC[C@]1(CNC(=O)C2=NO[C@@H](C[NH3+])C2)CCC[NH2+]1 ZINC000852879396 582231719 /nfs/dbraw/zinc/23/17/19/582231719.db2.gz DUGQJHMNCCPTJV-BXKDBHETSA-N 2 0 270.333 -1.025 20 0 CAADRP [NH3+]C[C@H]1CC(C(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)=NO1 ZINC000852881616 582231811 /nfs/dbraw/zinc/23/18/11/582231811.db2.gz YMTORSFXQSMKRF-WDEREUQCSA-N 2 0 281.360 -1.404 20 0 CAADRP [NH3+]C[C@@H]1CC(C(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)=NO1 ZINC000852881612 582231828 /nfs/dbraw/zinc/23/18/28/582231828.db2.gz YMTORSFXQSMKRF-MNOVXSKESA-N 2 0 281.360 -1.404 20 0 CAADRP COC(=O)[C@H]1C[NH2+]CCCN1C(=O)C1=NO[C@@H](C[NH3+])C1 ZINC000852879854 582231832 /nfs/dbraw/zinc/23/18/32/582231832.db2.gz HJXBSBDVRXJYQJ-PSASIEDQSA-N 2 0 284.316 -1.547 20 0 CAADRP [NH3+]C[C@H]1CC(C(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)=NO1 ZINC000852880246 582231883 /nfs/dbraw/zinc/23/18/83/582231883.db2.gz KZYGYPLQGDTJHJ-WDEREUQCSA-N 2 0 281.360 -1.404 20 0 CAADRP C[NH+](C)CCOCCNC(=O)C1=NO[C@@H](C[NH3+])C1 ZINC000852886062 582231925 /nfs/dbraw/zinc/23/19/25/582231925.db2.gz GICAGFQORXPWOR-SECBINFHSA-N 2 0 258.322 -1.216 20 0 CAADRP C[NH+](C)CCOCCNC(=O)C1=NO[C@H](C[NH3+])C1 ZINC000852886063 582231947 /nfs/dbraw/zinc/23/19/47/582231947.db2.gz GICAGFQORXPWOR-VIFPVBQESA-N 2 0 258.322 -1.216 20 0 CAADRP CCO[C@@H]1CN(C(=O)C2=NO[C@H](C[NH3+])C2)C[C@H]1C[NH3+] ZINC000852896285 582232134 /nfs/dbraw/zinc/23/21/34/582232134.db2.gz XEHOOQCANATQEX-WCABBAIRSA-N 2 0 270.333 -1.088 20 0 CAADRP [NH3+]C[C@@H]1CC(C(=O)NC[C@H]2C[N@@H+]3CCN2CCC3)=NO1 ZINC000852914630 582232389 /nfs/dbraw/zinc/23/23/89/582232389.db2.gz ZMWJVYXKRSOAPS-QWRGUYRKSA-N 2 0 281.360 -1.404 20 0 CAADRP [NH3+]C[C@@H]1CC(C(=O)NC[C@@H]2C[N@@H+]3CCN2CCC3)=NO1 ZINC000852914629 582232502 /nfs/dbraw/zinc/23/25/02/582232502.db2.gz ZMWJVYXKRSOAPS-MNOVXSKESA-N 2 0 281.360 -1.404 20 0 CAADRP COC(=O)N(C)CC[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC000853118205 582232951 /nfs/dbraw/zinc/23/29/51/582232951.db2.gz GSOWFFMFDZNBNE-GFCCVEGCSA-N 2 0 288.392 -1.118 20 0 CAADRP C[C@H]([NH3+])CCNC(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000857104002 582238796 /nfs/dbraw/zinc/23/87/96/582238796.db2.gz IQRMAHYHXBFVSM-VIFPVBQESA-N 2 0 257.338 -1.545 20 0 CAADRP O[C@H]1C[NH+](CCCCCC[NH+]2C[C@H](O)[C@@H](O)C2)C[C@@H]1O ZINC000859455301 582241385 /nfs/dbraw/zinc/24/13/85/582241385.db2.gz BFACSCAZMQUXNG-XUXIUFHCSA-N 2 0 288.388 -1.378 20 0 CAADRP C[C@@H](C[NH3+])NC(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000861642909 582244363 /nfs/dbraw/zinc/24/43/63/582244363.db2.gz KNINXFJUJYPNKQ-NSHDSACASA-N 2 0 298.391 -1.314 20 0 CAADRP O=C(NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000861756377 582244981 /nfs/dbraw/zinc/24/49/81/582244981.db2.gz YIPVSKUINVKVRN-WOPDTQHZSA-N 2 0 296.371 -1.556 20 0 CAADRP COCCC[N@H+](C)CCNC(=O)C(=O)N(C)C[C@H](C)[NH3+] ZINC000861758000 582245035 /nfs/dbraw/zinc/24/50/35/582245035.db2.gz OIGPJWRFFNMJAT-NSHDSACASA-N 2 0 288.392 -1.124 20 0 CAADRP O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000861756375 582245056 /nfs/dbraw/zinc/24/50/56/582245056.db2.gz YIPVSKUINVKVRN-IJLUTSLNSA-N 2 0 296.371 -1.556 20 0 CAADRP C[C@@H]([NH3+])CN(C)C(=O)C(=O)NCCOCC[NH+](C)C ZINC000861770699 582245072 /nfs/dbraw/zinc/24/50/72/582245072.db2.gz BXLKYORFAIGZSE-SNVBAGLBSA-N 2 0 274.365 -1.514 20 0 CAADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N(C)C[C@H](C)[NH3+])C1 ZINC000861769176 582245097 /nfs/dbraw/zinc/24/50/97/582245097.db2.gz XBHBAFWEKYPDQV-QWRGUYRKSA-N 2 0 286.376 -1.371 20 0 CAADRP C[N@@H+]1C[C@@H](O)C[C@@]1(C)C(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC000864059918 582250725 /nfs/dbraw/zinc/25/07/25/582250725.db2.gz UDRFNWRAGDGYOI-OPDFLTKYSA-N 2 0 283.372 -1.281 20 0 CAADRP CN1C(=O)[C@H]2C[N@H+](CCC(=O)N3CC[NH2+]CC3)C[C@H]2C1=O ZINC000866701901 582254008 /nfs/dbraw/zinc/25/40/08/582254008.db2.gz QXKQAWQLDRHQDO-PHIMTYICSA-N 2 0 294.355 -1.645 20 0 CAADRP [NH3+]C[C@H]1CCCN(S(=O)(=O)C[C@@H]2C[NH2+]CCO2)C1 ZINC000866737770 582254096 /nfs/dbraw/zinc/25/40/96/582254096.db2.gz IFXCVJTYQYTFIA-MNOVXSKESA-N 2 0 277.390 -1.025 20 0 CAADRP [NH3+]CCOCC[N@@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866714206 582254162 /nfs/dbraw/zinc/25/41/62/582254162.db2.gz INNMYVREIRVLNF-UTUOFQBUSA-N 3 0 284.360 -1.171 20 0 CAADRP CN(CC[NH3+])C(=O)C(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000868390368 582256156 /nfs/dbraw/zinc/25/61/56/582256156.db2.gz ITYNYWVRRDIOGP-GHMZBOCLSA-N 2 0 268.361 -1.044 20 0 CAADRP C[N@@H+]1CC[C@H]2CN(C(=O)C(=O)N3CC[NH2+]CC3)CC[C@H]21 ZINC000868385075 582256201 /nfs/dbraw/zinc/25/62/01/582256201.db2.gz JJZJLAOOMXYACI-NWDGAFQWSA-N 2 0 280.372 -1.029 20 0 CAADRP C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CC[NH2+]CC3)CC[C@@H]21 ZINC000868385074 582256241 /nfs/dbraw/zinc/25/62/41/582256241.db2.gz JJZJLAOOMXYACI-NEPJUHHUSA-N 2 0 280.372 -1.029 20 0 CAADRP [NH3+][C@@H]1C[C@@H]1C(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000870997402 582257818 /nfs/dbraw/zinc/25/78/18/582257818.db2.gz NAOGRBIBOXBYSH-QGKZMRNZSA-N 2 0 280.328 -1.273 20 0 CAADRP CN1CCN(C(=O)C(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)CC1 ZINC000872196633 582258772 /nfs/dbraw/zinc/25/87/72/582258772.db2.gz WGPAEPJJWXOXQA-SMDDNHRTSA-N 2 0 280.372 -1.172 20 0 CAADRP C[C@H]([NH2+]C[C@@]12COCCN1C(=O)COC2)C1C[NH2+]C1 ZINC000873265807 582259713 /nfs/dbraw/zinc/25/97/13/582259713.db2.gz KFAYCQFVLZDEPY-GWCFXTLKSA-N 2 0 269.345 -1.188 20 0 CAADRP C[C@@H]([NH2+]C[C@@]12COCCN1C(=O)COC2)C1C[NH2+]C1 ZINC000873265814 582259718 /nfs/dbraw/zinc/25/97/18/582259718.db2.gz KFAYCQFVLZDEPY-MFKMUULPSA-N 2 0 269.345 -1.188 20 0 CAADRP C[C@H](C(=O)N1CCCN(CC(N)=O)CC1)[NH+](C)C ZINC000874353189 582259965 /nfs/dbraw/zinc/25/99/65/582259965.db2.gz ZMUYZBRUBITUOC-SNVBAGLBSA-N 2 0 256.350 -1.044 20 0 CAADRP C[NH2+][C@@H]1CCN(C(=O)[C@]2(COC)C[NH2+]CCO2)C1 ZINC000876506771 582262496 /nfs/dbraw/zinc/26/24/96/582262496.db2.gz ZAAKJMVNBUANFN-ZYHUDNBSSA-N 2 0 257.334 -1.188 20 0 CAADRP CN(CCN1CC[NH2+]CC1)C(=O)[C@@H](N)C[NH+](C)C ZINC000876525353 582262537 /nfs/dbraw/zinc/26/25/37/582262537.db2.gz CJQSCQXZSWRHSZ-NSHDSACASA-N 2 0 257.382 -1.761 20 0 CAADRP COC[C@@]1(C(=O)N2CC[NH2+][C@H](C)C2)C[NH2+]CCO1 ZINC000876531458 582262565 /nfs/dbraw/zinc/26/25/65/582262565.db2.gz GRNKIQUFMJBBCE-ZYHUDNBSSA-N 2 0 257.334 -1.188 20 0 CAADRP CC1(C)[C@H]([NH3+])C[C@@H]1C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000876512653 582262598 /nfs/dbraw/zinc/26/25/98/582262598.db2.gz VJQIHJHDNZHCBJ-NXEZZACHSA-N 2 0 268.361 -1.092 20 0 CAADRP COC[C@@]1(C(=O)N(C)[C@H]2CC[NH2+]C2)C[NH2+]CCO1 ZINC000876528334 582262610 /nfs/dbraw/zinc/26/26/10/582262610.db2.gz PESCSVFBHDTUFA-CMPLNLGQSA-N 2 0 257.334 -1.188 20 0 CAADRP CN(CC(=O)N1CC[NH2+]CC1)C(=O)[C@@H](F)[C@@H]1CC[NH2+]C1 ZINC000876511701 582262621 /nfs/dbraw/zinc/26/26/21/582262621.db2.gz SLOMBYZJPSJHJO-PWSUYJOCSA-N 2 0 286.351 -1.176 20 0 CAADRP COC[C@]1(C(=O)N(C)[C@H]2CC[NH2+]C2)C[NH2+]CCO1 ZINC000876528435 582262626 /nfs/dbraw/zinc/26/26/26/582262626.db2.gz PESCSVFBHDTUFA-JQWIXIFHSA-N 2 0 257.334 -1.188 20 0 CAADRP CC1(C)[C@@H]([NH3+])C[C@@H]1C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000876512656 582262636 /nfs/dbraw/zinc/26/26/36/582262636.db2.gz VJQIHJHDNZHCBJ-ZJUUUORDSA-N 2 0 268.361 -1.092 20 0 CAADRP CN1CCN(C(=O)[C@@H]2[C@H](C[NH3+])C2(F)F)[C@@H](C[NH3+])C1 ZINC000876541582 582262645 /nfs/dbraw/zinc/26/26/45/582262645.db2.gz ATFFKUFPDULYHF-CIUDSAMLSA-N 2 0 262.304 -1.072 20 0 CAADRP COC[C@]1(C(=O)N2CC[NH2+][C@H](C)C2)C[NH2+]CCO1 ZINC000876531457 582262668 /nfs/dbraw/zinc/26/26/68/582262668.db2.gz GRNKIQUFMJBBCE-PWSUYJOCSA-N 2 0 257.334 -1.188 20 0 CAADRP COC[C@]1(C(=O)N(C)[C@@H]2CC[NH2+]C2)C[NH2+]CCO1 ZINC000876528436 582262671 /nfs/dbraw/zinc/26/26/71/582262671.db2.gz PESCSVFBHDTUFA-PWSUYJOCSA-N 2 0 257.334 -1.188 20 0 CAADRP C[NH+](C)C[C@H](N)C(=O)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000876753088 582263063 /nfs/dbraw/zinc/26/30/63/582263063.db2.gz IFKWVYZZDHSXST-YNEHKIRRSA-N 2 0 284.404 -1.067 20 0 CAADRP COCC[N@H+](C)CCCNC(=O)[C@@H](N)C[NH+](C)C ZINC000876727943 582263115 /nfs/dbraw/zinc/26/31/15/582263115.db2.gz DNADQVBVIWDKBF-NSHDSACASA-N 2 0 260.382 -1.040 20 0 CAADRP COCC[NH2+]CCNC(=O)[C@]1(COC)C[NH2+]CCO1 ZINC000876792838 582263145 /nfs/dbraw/zinc/26/31/45/582263145.db2.gz VWUMANQLRMEZKY-GFCCVEGCSA-N 2 0 275.349 -1.656 20 0 CAADRP C[NH+](C)C[C@H](N)C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000876850963 582263441 /nfs/dbraw/zinc/26/34/41/582263441.db2.gz GCTXKNVOEGCGOZ-RYUDHWBXSA-N 2 0 269.393 -1.619 20 0 CAADRP COC[C@]1(C(=O)NC[C@@H]2C[C@H](F)C[NH2+]2)C[NH2+]CCO1 ZINC000876855843 582263481 /nfs/dbraw/zinc/26/34/81/582263481.db2.gz DJMAXKXSKIJMFT-NHCYSSNCSA-N 2 0 275.324 -1.192 20 0 CAADRP COC[C@@]1(C(=O)NC[C@@H]2C[NH2+]CCO2)C[NH2+]CCO1 ZINC000876917887 582263778 /nfs/dbraw/zinc/26/37/78/582263778.db2.gz XKUNDHSHNCEUKQ-CMPLNLGQSA-N 2 0 273.333 -1.904 20 0 CAADRP COC[C@@]1(C(=O)N2CCCO[C@@H](C[NH3+])C2)C[NH2+]CCO1 ZINC000876917696 582263807 /nfs/dbraw/zinc/26/38/07/582263807.db2.gz BOIGSRLWUFGITN-WCQYABFASA-N 2 0 287.360 -1.432 20 0 CAADRP COC[C@]1(C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)C[NH2+]CCO1 ZINC000876979145 582263843 /nfs/dbraw/zinc/26/38/43/582263843.db2.gz VNTQNIOHNGDGNF-FOGDFJRCSA-N 2 0 275.324 -1.111 20 0 CAADRP COC[C@]1(C(=O)NCC23CC(C2)C[NH2+]3)C[NH2+]CCO1 ZINC000876974260 582263859 /nfs/dbraw/zinc/26/38/59/582263859.db2.gz BFNRCHKORFDPNA-GDKBPFBDSA-N 2 0 269.345 -1.140 20 0 CAADRP COC[C@@]1(C(=O)NCC23CC(C2)C[NH2+]3)C[NH2+]CCO1 ZINC000876974261 582263909 /nfs/dbraw/zinc/26/39/09/582263909.db2.gz BFNRCHKORFDPNA-KGPNIALWSA-N 2 0 269.345 -1.140 20 0 CAADRP CC[NH2+]CC(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000876994976 582263959 /nfs/dbraw/zinc/26/39/59/582263959.db2.gz PVVXDFKPWSMSMT-UHFFFAOYSA-N 2 0 283.376 -1.235 20 0 CAADRP C[NH2+]CCOCCN(C)C(=O)C1=NO[C@H](C[NH3+])C1 ZINC000877029447 582264031 /nfs/dbraw/zinc/26/40/31/582264031.db2.gz CTCXGDWKEXDNMA-VIFPVBQESA-N 2 0 258.322 -1.216 20 0 CAADRP COC[C@@]1(C(=O)NC[C@H]2COCC[NH2+]2)C[NH2+]CCO1 ZINC000877038701 582264063 /nfs/dbraw/zinc/26/40/63/582264063.db2.gz WLTMTTJIXHFMBM-CMPLNLGQSA-N 2 0 273.333 -1.904 20 0 CAADRP O=C(CO[C@H]1CCC[NH2+]C1)NC[C@@H]1COCC[NH2+]1 ZINC000877042712 582264169 /nfs/dbraw/zinc/26/41/69/582264169.db2.gz VHJUAOSSGPHKBQ-MNOVXSKESA-N 2 0 257.334 -1.140 20 0 CAADRP COC[C@@]1(C(=O)N(C)CCOCC[NH3+])C[NH2+]CCO1 ZINC000877053884 582264190 /nfs/dbraw/zinc/26/41/90/582264190.db2.gz AGZDVUIYHAVEEH-GFCCVEGCSA-N 2 0 275.349 -1.575 20 0 CAADRP COC[C@]1(C(=O)N[C@@H]2CC[NH2+][C@H]2C)C[NH2+]CCO1 ZINC000877111354 582264443 /nfs/dbraw/zinc/26/44/43/582264443.db2.gz JMNCTMIJYZEDPJ-UMNHJUIQSA-N 2 0 257.334 -1.142 20 0 CAADRP C[NH+](C)C[C@@H]1CN(C(=O)C2(O)C[NH2+]C2)C[C@H]1C[NH+](C)C ZINC000877144410 582264528 /nfs/dbraw/zinc/26/45/28/582264528.db2.gz LYJSGDFWZDTPGM-VXGBXAGGSA-N 3 0 284.404 -1.482 20 0 CAADRP COC[C@]1(C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)C[NH2+]CCO1 ZINC000877173040 582264552 /nfs/dbraw/zinc/26/45/52/582264552.db2.gz XCRLJYWRRVWPEI-LOWVWBTDSA-N 2 0 269.345 -1.046 20 0 CAADRP [NH3+]CC(=O)NCC(=O)NC[C@H]1Cc2ccccc2C[NH2+]1 ZINC000877343949 582265063 /nfs/dbraw/zinc/26/50/63/582265063.db2.gz SGLWDQPALMNYIE-GFCCVEGCSA-N 2 0 276.340 -1.108 20 0 CAADRP [NH3+]C[C@@H]1CN(C(=O)C2(O)C[NH2+]C2)C[C@@H]1C(F)(F)F ZINC000877356429 582265097 /nfs/dbraw/zinc/26/50/97/582265097.db2.gz NNKYRWZIGZDWOE-RQJHMYQMSA-N 2 0 267.251 -1.084 20 0 CAADRP O=C(NC[C@H]1CC2(CO1)CC[NH2+]CC2)C1(O)C[NH2+]C1 ZINC000877329281 582265172 /nfs/dbraw/zinc/26/51/72/582265172.db2.gz SPQMOUAJPPIGEV-SNVBAGLBSA-N 2 0 269.345 -1.404 20 0 CAADRP Cn1nnc(C(=O)N(CC[NH+](C)C)CC[NH+](C)C)n1 ZINC000878969321 582266775 /nfs/dbraw/zinc/26/67/75/582266775.db2.gz RBVSVOSIUMBOCC-UHFFFAOYSA-N 2 0 269.353 -1.225 20 0 CAADRP O=C([C@@H]1CCC[N@H+](CCn2cnnn2)C1)N1CC[NH2+]CC1 ZINC000883415766 582272229 /nfs/dbraw/zinc/27/22/29/582272229.db2.gz DQEFUCNDUNBQTO-GFCCVEGCSA-N 2 0 293.375 -1.183 20 0 CAADRP CO[C@@H](C[NH3+])C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000884207951 582273903 /nfs/dbraw/zinc/27/39/03/582273903.db2.gz LBURPIIUMLWYOC-AXFHLTTASA-N 2 0 257.334 -1.061 20 0 CAADRP COCC[N@H+](C)CCNC(=O)C(=O)N1CCC[C@@H]1C[NH3+] ZINC000884563069 582275468 /nfs/dbraw/zinc/27/54/68/582275468.db2.gz VAKFMKMVGRSXEK-LLVKDONJSA-N 2 0 286.376 -1.370 20 0 CAADRP COCCC[N@H+](C)CCNC(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000884588154 582275480 /nfs/dbraw/zinc/27/54/80/582275480.db2.gz ZXEYVCVXEFNGBF-RYUDHWBXSA-N 2 0 298.387 -1.356 20 0 CAADRP C[NH+](C)CCOCCNC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000884662118 582275833 /nfs/dbraw/zinc/27/58/33/582275833.db2.gz ILFBJDBYWLCYFO-TXEJJXNPSA-N 2 0 298.387 -1.356 20 0 CAADRP C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)NCC[NH3+])CC[C@@H]21 ZINC000884673413 582275851 /nfs/dbraw/zinc/27/58/51/582275851.db2.gz WFSQRFLCVZLXIW-ZJUUUORDSA-N 2 0 254.334 -1.386 20 0 CAADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)NCCOCC[NH+](C)C ZINC000884662459 582275867 /nfs/dbraw/zinc/27/58/67/582275867.db2.gz QHYXMPVZMKKMJY-GHMZBOCLSA-N 2 0 286.376 -1.371 20 0 CAADRP C[NH2+]CCNC(=O)C(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000884686513 582276098 /nfs/dbraw/zinc/27/60/98/582276098.db2.gz MKJBYYWLOJXQPI-WDEREUQCSA-N 2 0 268.361 -1.125 20 0 CAADRP CC(C)([NH3+])CCNC(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000885195265 582277098 /nfs/dbraw/zinc/27/70/98/582277098.db2.gz JIMGJYMHLUCUKP-WDEREUQCSA-N 2 0 298.387 -1.493 20 0 CAADRP C[NH+]1CCC(C(=O)NC[C@H]2CN(CC(N)=O)C[C@H]2O)CC1 ZINC000958376043 616166992 /nfs/dbraw/zinc/16/69/92/616166992.db2.gz YSNFCWUZVSKGAA-NWDGAFQWSA-N 2 0 298.387 -1.778 20 0 CAADRP C[NH+]1CCC(C(=O)NC[C@H]2CN(CC(N)=O)C[C@@H]2O)CC1 ZINC000958376044 616167085 /nfs/dbraw/zinc/16/70/85/616167085.db2.gz YSNFCWUZVSKGAA-RYUDHWBXSA-N 2 0 298.387 -1.778 20 0 CAADRP C[NH+]1CCC(C(=O)NC[C@@H]2C[N@H+](CCO)C[C@H]2O)CC1 ZINC000958375786 616167172 /nfs/dbraw/zinc/16/71/72/616167172.db2.gz WCFMDILIOXPMIS-CHWSQXEVSA-N 2 0 285.388 -1.271 20 0 CAADRP C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[NH+](CC(N)=O)C[C@H]21 ZINC000977918605 616211574 /nfs/dbraw/zinc/21/15/74/616211574.db2.gz JGZXUWJYCRUNLQ-YFKTTZPYSA-N 2 0 280.372 -1.140 20 0 CAADRP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2[C@H]3C[NH+](CCO)C[C@H]32)C1 ZINC000962585033 616267782 /nfs/dbraw/zinc/26/77/82/616267782.db2.gz FDVDOPROZNXUEA-WYUUTHIRSA-N 2 0 253.346 -1.023 20 0 CAADRP C[N@@H+]1CC[C@H](C(=O)N2CC[C@@H]([NH2+]CC(N)=O)C2)C1 ZINC000970713499 616363505 /nfs/dbraw/zinc/36/35/05/616363505.db2.gz ZBISBSSVBYUPKD-VHSXEESVSA-N 2 0 254.334 -1.386 20 0 CAADRP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2[C@H]3CN(CC(N)=O)C[C@H]32)C1 ZINC000962551226 616380543 /nfs/dbraw/zinc/38/05/43/616380543.db2.gz HRCNGYUNKIPSCY-UXCLJVHYSA-N 2 0 266.345 -1.530 20 0 CAADRP CC1(C)C[NH2+]C[C@@H]1NS(=O)(=O)N1CC[NH2+]CC1 ZINC000903554264 656185675 /nfs/dbraw/zinc/18/56/75/656185675.db2.gz OHWFCUFSSLAYKQ-VIFPVBQESA-N 2 0 262.379 -1.276 20 0 CAADRP COCCOC[C@@H](O)C[N@H+](C)CCN1CC[NH2+]CC1 ZINC000234679748 655997393 /nfs/dbraw/zinc/99/73/93/655997393.db2.gz RJZYBMNRDGUYBD-ZDUSSCGKSA-N 2 0 275.393 -1.153 20 0 CAADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC(N)=O)C1 ZINC001020592881 656005495 /nfs/dbraw/zinc/00/54/95/656005495.db2.gz QYHWEIDRXYDZRG-XWLWVQCSSA-N 2 0 268.361 -1.094 20 0 CAADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC(N)=O)C1 ZINC001020592879 656005696 /nfs/dbraw/zinc/00/56/96/656005696.db2.gz QYHWEIDRXYDZRG-GWOFURMSSA-N 2 0 268.361 -1.094 20 0 CAADRP C[N@@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]CC(N)=O)C2)C1 ZINC001021047558 656009959 /nfs/dbraw/zinc/00/99/59/656009959.db2.gz HSLUGFSWYJQISJ-OPRDCNLKSA-N 2 0 254.334 -1.340 20 0 CAADRP NC(=O)C[NH2+][C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC000970720304 656017875 /nfs/dbraw/zinc/01/78/75/656017875.db2.gz QBXAPXODJPRDKW-SNVBAGLBSA-N 2 0 254.334 -1.242 20 0 CAADRP C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC(N)=O)C1 ZINC001021896974 656023961 /nfs/dbraw/zinc/02/39/61/656023961.db2.gz AXGLCWRHICNIRX-AEJSXWLSSA-N 2 0 254.334 -1.197 20 0 CAADRP NC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC001022119827 656026426 /nfs/dbraw/zinc/02/64/26/656026426.db2.gz JBYKFMOWFBZSJJ-WHOHXGKFSA-N 2 0 296.371 -1.428 20 0 CAADRP NC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC001022119828 656026561 /nfs/dbraw/zinc/02/65/61/656026561.db2.gz JBYKFMOWFBZSJJ-WRWGMCAJSA-N 2 0 296.371 -1.428 20 0 CAADRP NC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC001022119826 656026594 /nfs/dbraw/zinc/02/65/94/656026594.db2.gz JBYKFMOWFBZSJJ-USZNOCQGSA-N 2 0 296.371 -1.428 20 0 CAADRP CN(CC[NH+](C)C)C(=O)C(=O)N1CCC[C@]([NH3+])(CO)C1 ZINC000926292963 656029075 /nfs/dbraw/zinc/02/90/75/656029075.db2.gz IJQSIDPBZCTOQC-CYBMUJFWSA-N 2 0 286.376 -1.681 20 0 CAADRP NC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)Cc2c[nH]cn2)C1 ZINC001022775992 656034640 /nfs/dbraw/zinc/03/46/40/656034640.db2.gz RLEWXFKETGVERL-OCAPTIKFSA-N 2 0 251.290 -1.326 20 0 CAADRP 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 656035156 /nfs/dbraw/zinc/03/51/56/656035156.db2.gz SMHNBYTWMPDYRC-CHWFTXMASA-N 2 0 284.360 -2.027 20 0 CAADRP 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 656035172 /nfs/dbraw/zinc/03/51/72/656035172.db2.gz SMHNBYTWMPDYRC-GWOFURMSSA-N 2 0 284.360 -2.027 20 0 CAADRP NC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001023088983 656042285 /nfs/dbraw/zinc/04/22/85/656042285.db2.gz SOJZYTIQHHQLBY-AOOOYVTPSA-N 2 0 254.334 -1.196 20 0 CAADRP Cn1nnnc1CN[C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001019774881 656068862 /nfs/dbraw/zinc/06/88/62/656068862.db2.gz MCAGTDFPIKHSAH-NSHDSACASA-N 2 0 293.375 -1.004 20 0 CAADRP 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 656071073 /nfs/dbraw/zinc/07/10/73/656071073.db2.gz WWXAUMLTABYLBF-HKLXJQGRSA-N 2 0 280.372 -1.284 20 0 CAADRP 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 656071367 /nfs/dbraw/zinc/07/13/67/656071367.db2.gz WWXAUMLTABYLBF-OQEOFVATSA-N 2 0 280.372 -1.284 20 0 CAADRP 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 656071856 /nfs/dbraw/zinc/07/18/56/656071856.db2.gz YEVDKETVKFFRSQ-IEECTRCBSA-N 2 0 292.383 -1.127 20 0 CAADRP NC(=O)[C@@H]1CCC[N@@H+]1CCCN[C@@H]1C[NH2+]CCOC1 ZINC000925724208 656082265 /nfs/dbraw/zinc/08/22/65/656082265.db2.gz XFYMRZBYBPJWQT-NEPJUHHUSA-N 2 0 270.377 -1.096 20 0 CAADRP NC(=O)[C@@H]1CCC[N@@H+]1CCCN[C@H]1C[NH2+]CCOC1 ZINC000925724209 656082564 /nfs/dbraw/zinc/08/25/64/656082564.db2.gz XFYMRZBYBPJWQT-RYUDHWBXSA-N 2 0 270.377 -1.096 20 0 CAADRP C[C@@]1(NC(=O)CNC(=O)[C@H]2CCC[NH2+]2)CC[NH2+]C1 ZINC000663009213 656089550 /nfs/dbraw/zinc/08/95/50/656089550.db2.gz BFAOVBODXHFYEK-BXKDBHETSA-N 2 0 254.334 -1.277 20 0 CAADRP CN1CCO[C@H](C(=O)NC[C@H]2CC[N@H+](CCO)C2)C1 ZINC001028461267 656114572 /nfs/dbraw/zinc/11/45/72/656114572.db2.gz NIMKHFINKWSWSJ-NEPJUHHUSA-N 2 0 271.361 -1.253 20 0 CAADRP CN1C[C@@H](O)C[C@]1(C)C(=O)NC[C@H]1C[C@@H](O)C[N@@H+]1C ZINC000924973721 656121429 /nfs/dbraw/zinc/12/14/29/656121429.db2.gz FNXFFUXASMJQNT-HNCHTBHHSA-N 2 0 271.361 -1.377 20 0 CAADRP C[N@@H+]1CC[C@@H](C(=O)NC[C@H]2CC[NH+](CC(N)=O)C2)C1 ZINC001028985030 656123616 /nfs/dbraw/zinc/12/36/16/656123616.db2.gz HDBZKBICSQHZTD-GHMZBOCLSA-N 2 0 268.361 -1.139 20 0 CAADRP C[NH+]1CC[C@@H]1CNC(=O)COCC(=O)NC[C@H]1CC[N@H+]1C ZINC000928563786 656127869 /nfs/dbraw/zinc/12/78/69/656127869.db2.gz RPMAHEHJPBQONW-VXGBXAGGSA-N 2 0 298.387 -1.356 20 0 CAADRP CN1CCO[C@H](C(=O)N[C@@H]2CCC[N@H+](CCO)C2)C1 ZINC001007005910 656129642 /nfs/dbraw/zinc/12/96/42/656129642.db2.gz AAOLDGBCNLXSNY-NEPJUHHUSA-N 2 0 271.361 -1.110 20 0 CAADRP CN1CCO[C@H](C(=O)N2CCC([NH2+]CC(N)=O)CC2)C1 ZINC000990572194 656162531 /nfs/dbraw/zinc/16/25/31/656162531.db2.gz ZHUGPNAHQHEIOY-NSHDSACASA-N 2 0 284.360 -1.617 20 0 CAADRP [NH3+][C@@H]1CC[C@H](CNS(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000923741647 656163623 /nfs/dbraw/zinc/16/36/23/656163623.db2.gz YEDPCKOAYPQTLI-VHSXEESVSA-N 2 0 262.379 -1.147 20 0 CAADRP O=S(=O)(CC1CC[NH2+]CC1)N1CCNCC[NH2+]CC1 ZINC000903519738 656185034 /nfs/dbraw/zinc/18/50/34/656185034.db2.gz KYFHNUQGXZBGLJ-UHFFFAOYSA-N 2 0 290.433 -1.189 20 0 CAADRP C[C@@H]1C[NH2+]C[C@H]1NS(=O)(=O)C[C@@H]1C[NH2+]CCO1 ZINC000903527413 656185045 /nfs/dbraw/zinc/18/50/45/656185045.db2.gz YPYPYFCUSQKABS-KXUCPTDWSA-N 2 0 263.363 -1.498 20 0 CAADRP O=S(=O)(C[C@@H]1C[NH2+]CCO1)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000903559571 656185063 /nfs/dbraw/zinc/18/50/63/656185063.db2.gz XQHZPEGCSBMWFV-UKKRHICBSA-N 2 0 275.374 -1.213 20 0 CAADRP C[C@@H]1C[NH2+]C[C@H]1CNS(=O)(=O)C[C@H]1C[NH2+]CCO1 ZINC000903533046 656185632 /nfs/dbraw/zinc/18/56/32/656185632.db2.gz AAQYUBBFQBVVKO-OUAUKWLOSA-N 2 0 277.390 -1.250 20 0 CAADRP [NH3+]C[C@]12CC[C@H]1CCN2S(=O)(=O)N1CC[NH2+]CC1 ZINC000903584625 656185753 /nfs/dbraw/zinc/18/57/53/656185753.db2.gz KIOUQZQVZWHSBI-WDEREUQCSA-N 2 0 274.390 -1.050 20 0 CAADRP CC1(C)CN(S(=O)(=O)C[C@H]2C[NH2+]CCO2)C[C@H]1[NH3+] ZINC000903587395 656185781 /nfs/dbraw/zinc/18/57/81/656185781.db2.gz UQWWLTLRGCNISG-NXEZZACHSA-N 2 0 277.390 -1.026 20 0 CAADRP O=S(=O)(N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)N1CC[NH2+]CC1 ZINC000903560780 656185808 /nfs/dbraw/zinc/18/58/08/656185808.db2.gz IWSLRVAKOHQNEP-IVZWLZJFSA-N 2 0 260.363 -1.381 20 0 CAADRP CC1(C)C[NH2+]C[C@@H]1NS(=O)(=O)C[C@H]1C[NH2+]CCO1 ZINC000903550729 656185900 /nfs/dbraw/zinc/18/59/00/656185900.db2.gz LJZWSVFTGUVSTJ-ZJUUUORDSA-N 2 0 277.390 -1.108 20 0 CAADRP [NH3+]CCN(C[C@@H](O)CO)C[C@H](O)C[NH+]1CCCC1 ZINC000903767513 656186185 /nfs/dbraw/zinc/18/61/85/656186185.db2.gz GPZKLUFDWZQFCY-VXGBXAGGSA-N 2 0 261.366 -1.943 20 0 CAADRP [NH3+]CCN(C[C@H](O)CO)C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903767902 656186239 /nfs/dbraw/zinc/18/62/39/656186239.db2.gz JDIBZVVIGWVLRA-QWHCGFSZSA-N 2 0 287.404 -1.241 20 0 CAADRP [NH3+]CCN(C[C@H](O)CO)C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903768145 656186292 /nfs/dbraw/zinc/18/62/92/656186292.db2.gz KRQSRWJXPFWPEV-XQQFMLRXSA-N 2 0 273.377 -1.631 20 0 CAADRP C[C@@H]1C[N@H+](CCOCC[NH3+])C[C@H]1CS(N)(=O)=O ZINC000903826938 656186966 /nfs/dbraw/zinc/18/69/66/656186966.db2.gz OINACCKLOXYYTQ-ZJUUUORDSA-N 2 0 265.379 -1.182 20 0 CAADRP O[C@H](CN1CC[NH2+]CC[NH2+]CC1)C[NH+]1CCCC1 ZINC000903787663 656187326 /nfs/dbraw/zinc/18/73/26/656187326.db2.gz XYXSKJKJQLYPOV-ZDUSSCGKSA-N 3 0 256.394 -1.062 20 0 CAADRP COCC[N@H+](C)C[C@H](O)CN1CC[NH2+]C[C@@H]1COC ZINC000903881441 656187706 /nfs/dbraw/zinc/18/77/06/656187706.db2.gz DSOBAOXAZVGWIU-OLZOCXBDSA-N 2 0 275.393 -1.154 20 0 CAADRP [NH3+][C@H]1C[C@@H](C[N@@H+]2CCN3C(=O)C(=O)NC[C@@H]3C2)C1 ZINC000904328397 656187874 /nfs/dbraw/zinc/18/78/74/656187874.db2.gz OIFGPIBYFINEKZ-KXUCPTDWSA-N 2 0 252.318 -1.634 20 0 CAADRP COCC[N@H+](C)C[C@H](O)CN1CC[NH2+]C[C@H]1COC ZINC000903881443 656187945 /nfs/dbraw/zinc/18/79/45/656187945.db2.gz DSOBAOXAZVGWIU-STQMWFEESA-N 2 0 275.393 -1.154 20 0 CAADRP [NH3+]CCN1CCC([NH2+]CCN2CC[NH2+]CC2)CC1 ZINC000904354386 656188039 /nfs/dbraw/zinc/18/80/39/656188039.db2.gz WUKUZYVTTQLXEO-UHFFFAOYSA-N 3 0 255.410 -1.096 20 0 CAADRP CN(C(=O)C(=O)N1CCN(C)CC1)C1(C[NH3+])CCOCC1 ZINC000904970329 656188500 /nfs/dbraw/zinc/18/85/00/656188500.db2.gz LFZQZOPRMHHNGI-UHFFFAOYSA-N 2 0 298.387 -1.273 20 0 CAADRP 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 656188522 /nfs/dbraw/zinc/18/85/22/656188522.db2.gz SWUBDVZAHHMDLT-YXMPFFBPSA-N 2 0 292.383 -1.031 20 0 CAADRP CN(CC[NH3+])C(=O)C(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC000904991952 656189010 /nfs/dbraw/zinc/18/90/10/656189010.db2.gz ZOZYSESCRNNGDJ-VXGBXAGGSA-N 2 0 298.387 -1.539 20 0 CAADRP COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N(C)CC[NH+](C)C ZINC000905017721 656189422 /nfs/dbraw/zinc/18/94/22/656189422.db2.gz VJZIIEOWCJUOGR-NSHDSACASA-N 2 0 286.376 -1.547 20 0 CAADRP CN1CC[N@H+](C)CC(C(=O)NCCN2CC[NH+](C)CC2)C1 ZINC000905551827 656191867 /nfs/dbraw/zinc/19/18/67/656191867.db2.gz RYQYOWHOEJBKDC-UHFFFAOYSA-N 2 0 297.447 -1.157 20 0 CAADRP CN1CC[N@H+](C)CC(C(=O)N2CCN(CCO)CC2)C1 ZINC000906048061 656192443 /nfs/dbraw/zinc/19/24/43/656192443.db2.gz WDOQBNFWYIFQSK-UHFFFAOYSA-N 2 0 284.404 -1.384 20 0 CAADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)C1CN(C)CC[NH+](C)C1 ZINC000906649956 656193966 /nfs/dbraw/zinc/19/39/66/656193966.db2.gz IXOBLPOFAQBVRH-CQSZACIVSA-N 2 0 297.447 -1.158 20 0 CAADRP CC[N@H+](CCO)CCNC(=O)[C@]1(C)C[C@@H](O)C[NH+]1C ZINC000907440677 656198101 /nfs/dbraw/zinc/19/81/01/656198101.db2.gz MGQBNXWDXGCHHI-YPMHNXCESA-N 2 0 273.377 -1.128 20 0 CAADRP C[NH+](C)C[C@@H](CO)NC(=O)C[C@@]1(O)CCC[N@H+](C)C1 ZINC000908201073 656210580 /nfs/dbraw/zinc/21/05/80/656210580.db2.gz NTZFMKVFXKKFIA-AAEUAGOBSA-N 2 0 273.377 -1.128 20 0 CAADRP CN1CC[N@H+](C)CC(C(=O)N[C@H](CO)C[NH+](C)C)C1 ZINC000908201545 656210767 /nfs/dbraw/zinc/21/07/67/656210767.db2.gz QNRSSNHCVIBVMM-LBPRGKRZSA-N 2 0 272.393 -1.482 20 0 CAADRP COC[C@H]1C[NH2+]CCN1C(=O)C(=O)NC1CC[NH+](C)CC1 ZINC000910956035 656230328 /nfs/dbraw/zinc/23/03/28/656230328.db2.gz DYUORNUUYQOANO-GFCCVEGCSA-N 2 0 298.387 -1.356 20 0 CAADRP C[N@H+](CCNC(=O)C(=O)N1CCC[C@@]([NH3+])(CO)C1)C1CC1 ZINC000911054342 656232692 /nfs/dbraw/zinc/23/26/92/656232692.db2.gz VMIPJPQZRNLNCN-AWEZNQCLSA-N 2 0 298.387 -1.491 20 0 CAADRP C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N1CCNCC[NH2+]CC1 ZINC000911071665 656233418 /nfs/dbraw/zinc/23/34/18/656233418.db2.gz CEFVTZVCEQFWGO-LBPRGKRZSA-N 2 0 299.419 -1.536 20 0 CAADRP [NH3+]C1(CNC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000911073171 656233694 /nfs/dbraw/zinc/23/36/94/656233694.db2.gz QQWMZPGLTMDMRV-SECBINFHSA-N 2 0 266.345 -1.053 20 0 CAADRP [NH3+]C1(CNC(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC000911147838 656235146 /nfs/dbraw/zinc/23/51/46/656235146.db2.gz KKGMMMGMXZCPCE-WDEREUQCSA-N 2 0 296.371 -1.427 20 0 CAADRP CCO[C@H](CNC(=O)C(=O)NCC[NH3+])C[NH+](C)C ZINC000911270597 656238766 /nfs/dbraw/zinc/23/87/66/656238766.db2.gz ZLTLXYLMDZBNDM-SECBINFHSA-N 2 0 260.338 -1.856 20 0 CAADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2C[C@@H](C)[C@H]([NH3+])C2)C1 ZINC000911243765 656237721 /nfs/dbraw/zinc/23/77/21/656237721.db2.gz ZWSUYWJSMGQLAI-GRYCIOLGSA-N 2 0 298.387 -1.371 20 0 CAADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NCC2([NH3+])CC2)C1 ZINC000911239075 656237800 /nfs/dbraw/zinc/23/78/00/656237800.db2.gz ADUUXYMHPNGSNZ-SNVBAGLBSA-N 2 0 284.360 -1.569 20 0 CAADRP C[C@H]([NH3+])CNC(=O)C(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC000911281514 656238632 /nfs/dbraw/zinc/23/86/32/656238632.db2.gz PIZNPXGHKUVLOI-SDDRHHMPSA-N 2 0 298.387 -1.493 20 0 CAADRP C[C@H]([NH3+])CNC(=O)C(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC000911281508 656238953 /nfs/dbraw/zinc/23/89/53/656238953.db2.gz PIZNPXGHKUVLOI-QJPTWQEYSA-N 2 0 298.387 -1.493 20 0 CAADRP CCO[C@H](CNC(=O)C(=O)N[C@H]1CC[NH2+]C1)C[NH+](C)C ZINC000911275850 656239596 /nfs/dbraw/zinc/23/95/96/656239596.db2.gz ZOIWHPYUGLOSBZ-WDEREUQCSA-N 2 0 286.376 -1.453 20 0 CAADRP C[N@@H+]1C[C@@H]2CN(C(=O)C(=O)N[C@@H]3CC[NH2+]C3)C[C@]2(C)C1 ZINC000911272969 656239849 /nfs/dbraw/zinc/23/98/49/656239849.db2.gz HBJZRKBUTRITOC-GYSYKLTISA-N 2 0 280.372 -1.125 20 0 CAADRP CCO[C@H](CNC(=O)C(=O)NCCC[NH3+])C[NH+](C)C ZINC000911266748 656240169 /nfs/dbraw/zinc/24/01/69/656240169.db2.gz JXBOGSINJGRGSS-SNVBAGLBSA-N 2 0 274.365 -1.466 20 0 CAADRP CCO[C@@H](CNC(=O)C(=O)N[C@H](C)C[NH3+])C[NH+](C)C ZINC000911299104 656240250 /nfs/dbraw/zinc/24/02/50/656240250.db2.gz ZDYWBYYAUIDPCP-ZJUUUORDSA-N 2 0 274.365 -1.467 20 0 CAADRP CCO[C@H](CNC(=O)C(=O)N[C@H](C)C[NH3+])C[NH+](C)C ZINC000911299100 656240258 /nfs/dbraw/zinc/24/02/58/656240258.db2.gz ZDYWBYYAUIDPCP-NXEZZACHSA-N 2 0 274.365 -1.467 20 0 CAADRP CCO[C@H](CNC(=O)C(=O)N[C@H](C)CC[NH3+])C[NH+](C)C ZINC000911298733 656240392 /nfs/dbraw/zinc/24/03/92/656240392.db2.gz VTDCILJRKNPVAX-GHMZBOCLSA-N 2 0 288.392 -1.077 20 0 CAADRP CCO[C@H](CNC(=O)C(=O)NC[C@H](C)C[NH3+])C[NH+](C)C ZINC000911293857 656240402 /nfs/dbraw/zinc/24/04/02/656240402.db2.gz UAIRQODLOLXBJO-GHMZBOCLSA-N 2 0 288.392 -1.220 20 0 CAADRP CCO[C@H](CNC(=O)C(=O)N[C@@H](C)CC[NH3+])C[NH+](C)C ZINC000911298736 656240559 /nfs/dbraw/zinc/24/05/59/656240559.db2.gz VTDCILJRKNPVAX-WDEREUQCSA-N 2 0 288.392 -1.077 20 0 CAADRP C[C@H](C[NH3+])NC(=O)C(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC000911299039 656240659 /nfs/dbraw/zinc/24/06/59/656240659.db2.gz YZHQAGKMWNSFQB-IJLUTSLNSA-N 2 0 298.387 -1.493 20 0 CAADRP C[C@@H](C[NH3+])NC(=O)C(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000911299044 656240668 /nfs/dbraw/zinc/24/06/68/656240668.db2.gz YZHQAGKMWNSFQB-SRVKXCTJSA-N 2 0 298.387 -1.493 20 0 CAADRP C[NH2+]CCNC(=O)C(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC000911281752 656241101 /nfs/dbraw/zinc/24/11/01/656241101.db2.gz IIJZOTJRWDDESN-VXGBXAGGSA-N 2 0 298.387 -1.620 20 0 CAADRP C[NH2+]CCNC(=O)C(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000911281749 656241136 /nfs/dbraw/zinc/24/11/36/656241136.db2.gz IIJZOTJRWDDESN-RYUDHWBXSA-N 2 0 298.387 -1.620 20 0 CAADRP CCO[C@@H](CNC(=O)C(=O)NC1C[NH2+]C1)C[NH+](C)C ZINC000911288747 656241628 /nfs/dbraw/zinc/24/16/28/656241628.db2.gz VWSGRZCHRLDEDZ-JTQLQIEISA-N 2 0 272.349 -1.843 20 0 CAADRP CCO[C@@H](CNC(=O)C(=O)N[C@@H](C)C[NH2+]C)C[NH+](C)C ZINC000911338316 656242054 /nfs/dbraw/zinc/24/20/54/656242054.db2.gz JIPINIWGIQQWPP-QWRGUYRKSA-N 2 0 288.392 -1.207 20 0 CAADRP CCO[C@H](CNC(=O)C(=O)N[C@@H](C)C[NH2+]C)C[NH+](C)C ZINC000911338317 656242249 /nfs/dbraw/zinc/24/22/49/656242249.db2.gz JIPINIWGIQQWPP-WDEREUQCSA-N 2 0 288.392 -1.207 20 0 CAADRP C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000911370024 656243084 /nfs/dbraw/zinc/24/30/84/656243084.db2.gz LNQPUTQTSPYYPX-GMTAPVOTSA-N 2 0 268.361 -1.079 20 0 CAADRP CCO[C@H](CNC(=O)C(=O)N(C)C[C@@H](C)[NH3+])C[NH+](C)C ZINC000911434378 656243541 /nfs/dbraw/zinc/24/35/41/656243541.db2.gz HQXIZODMCYATLD-GHMZBOCLSA-N 2 0 288.392 -1.125 20 0 CAADRP CCO[C@@H](CNC(=O)C(=O)N1CC[NH2+]CC1)C[NH+](C)C ZINC000911437162 656244004 /nfs/dbraw/zinc/24/40/04/656244004.db2.gz ZAICUPQOOQETMD-NSHDSACASA-N 2 0 286.376 -1.499 20 0 CAADRP CCO[C@H](CNC(=O)C(=O)N1CC[C@H]([NH3+])C1)C[NH+](C)C ZINC000911435291 656244022 /nfs/dbraw/zinc/24/40/22/656244022.db2.gz LDAJIZQDQMFDJY-WDEREUQCSA-N 2 0 286.376 -1.371 20 0 CAADRP COCCN(CC[NH+](C)C)C(=O)C(=O)NCC1([NH3+])CC1 ZINC000911502731 656248891 /nfs/dbraw/zinc/24/88/91/656248891.db2.gz HWSUUDUFINJPJT-UHFFFAOYSA-N 2 0 286.376 -1.370 20 0 CAADRP C[N@@H+]1CCC[C@H](NC(=O)C(=O)NCC2([NH3+])CC2)C1 ZINC000911506392 656248965 /nfs/dbraw/zinc/24/89/65/656248965.db2.gz MNSINZZCEZDADG-VIFPVBQESA-N 2 0 254.334 -1.196 20 0 CAADRP CN1CC[NH2+]C[C@@H]1C(=O)NCCCN1CC[NH2+]CC1 ZINC000911629556 656251883 /nfs/dbraw/zinc/25/18/83/656251883.db2.gz XAJZIBDBSUMOJM-GFCCVEGCSA-N 2 0 269.393 -1.699 20 0 CAADRP O=C(NCCN1CC[NH2+]CC1)C1=NOC2(C1)CC[NH2+]CC2 ZINC000911695773 656252177 /nfs/dbraw/zinc/25/21/77/656252177.db2.gz PBLNDFGJMZLYLU-UHFFFAOYSA-N 2 0 295.387 -1.094 20 0 CAADRP CN1CC[NH2+]C[C@H]1C(=O)NCCN1CC[NH2+]CC1 ZINC000911694760 656252208 /nfs/dbraw/zinc/25/22/08/656252208.db2.gz CQZFLOSZEHJHCO-NSHDSACASA-N 2 0 255.366 -2.089 20 0 CAADRP C[NH2+]CCCNC(=O)[C@@H]1CCCN(CC[NH3+])C1=O ZINC000911677333 656252214 /nfs/dbraw/zinc/25/22/14/656252214.db2.gz PICDZVIUGYTALH-JTQLQIEISA-N 2 0 256.350 -1.091 20 0 CAADRP [NH3+]CCN1CCC[C@H](C(=O)N2CC[C@@H]([NH3+])C2)C1=O ZINC000911652550 656252352 /nfs/dbraw/zinc/25/23/52/656252352.db2.gz VSKSFLKMSOKISJ-ZJUUUORDSA-N 2 0 254.334 -1.257 20 0 CAADRP O=C(NCCN1CC[NH2+]CC1)[C@@H]1[C@@H]2CC[NH2+]C[C@@H]21 ZINC000911696229 656252367 /nfs/dbraw/zinc/25/23/67/656252367.db2.gz TUCLSHQHYSDQGG-GRYCIOLGSA-N 2 0 252.362 -1.137 20 0 CAADRP O=C(C[C@@]1(O)CCC[NH2+]C1)NCCN1CC[NH2+]CC1 ZINC000911695322 656252485 /nfs/dbraw/zinc/25/24/85/656252485.db2.gz KXAVZTCVWMQMCL-ZDUSSCGKSA-N 2 0 270.377 -1.488 20 0 CAADRP CC(C)[C@H]([NH3+])C(=O)NCCC(=O)N[C@H]1CC[NH2+]C1 ZINC000911696941 656252487 /nfs/dbraw/zinc/25/24/87/656252487.db2.gz YBPHZUQTDVJFRN-ONGXEEELSA-N 2 0 256.350 -1.046 20 0 CAADRP CC(C)[C@@H]([NH3+])C(=O)NCCC(=O)NCCN1CC[NH2+]CC1 ZINC000911694715 656252543 /nfs/dbraw/zinc/25/25/43/656252543.db2.gz BLNLBZSZQGXJHR-CYBMUJFWSA-N 2 0 299.419 -1.503 20 0 CAADRP CC(C)(C[NH3+])CC(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000911703405 656252935 /nfs/dbraw/zinc/25/29/35/656252935.db2.gz ZVHDXAWPBWSTDQ-UHFFFAOYSA-N 2 0 256.350 -1.091 20 0 CAADRP C[C@@H]1C[C@H](C(=O)NCC(=O)N2CC[NH2+]CC2)CC[NH2+]1 ZINC000911703379 656252933 /nfs/dbraw/zinc/25/29/33/656252933.db2.gz ZFGWFDKXSLKNJV-GHMZBOCLSA-N 2 0 268.361 -1.078 20 0 CAADRP C[C@@H]1C[NH2+]C[C@H]1CC(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000911703011 656253060 /nfs/dbraw/zinc/25/30/60/656253060.db2.gz UJQDGZNEUUEGGZ-GHMZBOCLSA-N 2 0 268.361 -1.220 20 0 CAADRP O=C(CNC(=O)[C@]12CC[C@H]1C[NH2+]C2)N1CC[NH2+]CC1 ZINC000911702493 656253072 /nfs/dbraw/zinc/25/30/72/656253072.db2.gz LKVFDDXJQQIWJB-GWCFXTLKSA-N 2 0 266.345 -1.466 20 0 CAADRP O=C(CNC(=O)[C@@H]1[C@@H]2CC[NH2+]C[C@@H]21)N1CC[NH2+]CC1 ZINC000911702902 656253123 /nfs/dbraw/zinc/25/31/23/656253123.db2.gz RQHBONAAEARKBW-JFGNBEQYSA-N 2 0 266.345 -1.610 20 0 CAADRP C[C@@H](C[NH3+])N(C)C(=O)[C@@H]1CCCN(CC[NH3+])C1=O ZINC000911814547 656253448 /nfs/dbraw/zinc/25/34/48/656253448.db2.gz SZUXXSBIVQYQKJ-UWVGGRQHSA-N 2 0 256.350 -1.011 20 0 CAADRP CN(CCN1CC[NH2+]CC1)C(=O)[C@H]1C[NH2+]CCN1C ZINC000911774041 656253638 /nfs/dbraw/zinc/25/36/38/656253638.db2.gz GQZZXFBSDLDMJO-GFCCVEGCSA-N 2 0 269.393 -1.746 20 0 CAADRP CN1CCN(C(=O)C[C@@]2(O)CCC[NH2+]C2)[C@H](C[NH3+])C1 ZINC000911874660 656253964 /nfs/dbraw/zinc/25/39/64/656253964.db2.gz COQDDWIGOZDGML-YPMHNXCESA-N 2 0 270.377 -1.408 20 0 CAADRP CN1CCN(C(=O)c2ccn(CCC[NH3+])n2)[C@H](C[NH3+])C1 ZINC000911874977 656254488 /nfs/dbraw/zinc/25/44/88/656254488.db2.gz HESVIRVEZJPUOK-LLVKDONJSA-N 2 0 280.376 -1.053 20 0 CAADRP CN1CCN(C(=O)[C@H]2C[NH2+]CCN2C)[C@H](C[NH3+])C1 ZINC000911876123 656254915 /nfs/dbraw/zinc/25/49/15/656254915.db2.gz YGJPCKGYWFADPH-GHMZBOCLSA-N 2 0 255.366 -2.009 20 0 CAADRP CN1CCN(C(=O)C2=NO[C@]3(C2)CCC[NH2+]C3)[C@H](C[NH3+])C1 ZINC000911875815 656254918 /nfs/dbraw/zinc/25/49/18/656254918.db2.gz UTSCBNYNHIVDBG-RISCZKNCSA-N 2 0 295.387 -1.014 20 0 CAADRP CN1CCN(C(=O)[C@@H]2[C@@H]3CC[NH2+]C[C@@H]32)[C@@H](C[NH3+])C1 ZINC000911875975 656255043 /nfs/dbraw/zinc/25/50/43/656255043.db2.gz VMBKLPRWQPPEOQ-WHOHXGKFSA-N 2 0 252.362 -1.057 20 0 CAADRP CN1CCN(C(=O)[C@@H]2C[NH2+]CCN2C)[C@@H](C[NH3+])C1 ZINC000911876125 656255235 /nfs/dbraw/zinc/25/52/35/656255235.db2.gz YGJPCKGYWFADPH-QWRGUYRKSA-N 2 0 255.366 -2.009 20 0 CAADRP CN1CCN(C(=O)[C@H]2[C@@H]3CC[NH2+]C[C@@H]32)[C@H](C[NH3+])C1 ZINC000911875979 656255325 /nfs/dbraw/zinc/25/53/25/656255325.db2.gz VMBKLPRWQPPEOQ-WYUUTHIRSA-N 2 0 252.362 -1.057 20 0 CAADRP CN(CC[N@H+](C)CCO)C(=O)[C@@]1(C)C[C@H](O)C[NH+]1C ZINC000912601007 656262907 /nfs/dbraw/zinc/26/29/07/656262907.db2.gz SJLXFTFQMOUDIP-WCQYABFASA-N 2 0 273.377 -1.176 20 0 CAADRP COC[C@@H](O)C[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000225485427 656298218 /nfs/dbraw/zinc/29/82/18/656298218.db2.gz QIEAUCJCMNSQMC-MNOVXSKESA-N 2 0 259.350 -1.219 20 0 CAADRP C[NH2+]CCCN(C)S(=O)(=O)N1CC[NH2+]CC1 ZINC000087471939 656315554 /nfs/dbraw/zinc/31/55/54/656315554.db2.gz IQSGSDDYNXRXNY-UHFFFAOYSA-N 2 0 250.368 -1.322 20 0 CAADRP CO[C@@H](C[NH3+])C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000227389665 656309867 /nfs/dbraw/zinc/30/98/67/656309867.db2.gz LBURPIIUMLWYOC-MXWKQRLJSA-N 2 0 257.334 -1.061 20 0 CAADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C[C@H](O)CO)CC1 ZINC000929848636 656353675 /nfs/dbraw/zinc/35/36/75/656353675.db2.gz OWVKBVIGGXRJDV-NWDGAFQWSA-N 2 0 271.361 -1.422 20 0 CAADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C[C@@H](O)CO)CC1 ZINC000929848638 656353764 /nfs/dbraw/zinc/35/37/64/656353764.db2.gz OWVKBVIGGXRJDV-VXGBXAGGSA-N 2 0 271.361 -1.422 20 0 CAADRP NC(=O)CN1CC(CNC(=O)[C@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC001031689637 656383175 /nfs/dbraw/zinc/38/31/75/656383175.db2.gz XWFJWSWZHDLNCW-VXGBXAGGSA-N 2 0 296.371 -1.617 20 0 CAADRP NC(=O)CN1CC(CNC(=O)[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC001031689629 656383309 /nfs/dbraw/zinc/38/33/09/656383309.db2.gz XWFJWSWZHDLNCW-NEPJUHHUSA-N 2 0 296.371 -1.617 20 0 CAADRP COC[C@H](O)C[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000069054634 656391352 /nfs/dbraw/zinc/39/13/52/656391352.db2.gz QIEAUCJCMNSQMC-WDEREUQCSA-N 2 0 259.350 -1.219 20 0 CAADRP COC[C@@H](O)C[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000069054635 656391597 /nfs/dbraw/zinc/39/15/97/656391597.db2.gz QIEAUCJCMNSQMC-QWRGUYRKSA-N 2 0 259.350 -1.219 20 0 CAADRP O=C(NCC1C[NH+](CCO)C1)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001031857535 656399615 /nfs/dbraw/zinc/39/96/15/656399615.db2.gz XQWUAKGKQOEMKE-QRJNDHJOSA-N 2 0 295.383 -1.110 20 0 CAADRP CN1CCO[C@@H](C(=O)N2C[C@H]([NH2+]CC(N)=O)C(C)(C)C2)C1 ZINC000995604121 656473484 /nfs/dbraw/zinc/47/34/84/656473484.db2.gz LAYVHZXRVDPXGP-MNOVXSKESA-N 2 0 298.387 -1.371 20 0 CAADRP CN(C(=O)[C@H]1CN(C)CCO1)[C@@H]1CC[N@H+](CCO)C1 ZINC001032981368 656670166 /nfs/dbraw/zinc/67/01/66/656670166.db2.gz RKPLCSTWNDSMFJ-VXGBXAGGSA-N 2 0 271.361 -1.158 20 0 CAADRP CN(C(=O)[C@H]1CN(C)CCO1)[C@H]1CC[N@H+](CCO)C1 ZINC001032981366 656670319 /nfs/dbraw/zinc/67/03/19/656670319.db2.gz RKPLCSTWNDSMFJ-NWDGAFQWSA-N 2 0 271.361 -1.158 20 0 CAADRP C[NH+](C)C[C@H](N)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000702385141 656736768 /nfs/dbraw/zinc/73/67/68/656736768.db2.gz CECSQARRQVYVHD-UTUOFQBUSA-N 2 0 270.377 -1.145 20 0 CAADRP C[C@@H]1CN(S(=O)(=O)N2CC[NH2+]CC2)CC[C@@H]1[NH3+] ZINC000923568170 656806931 /nfs/dbraw/zinc/80/69/31/656806931.db2.gz FNUAUSOYEQDNFK-ZJUUUORDSA-N 2 0 262.379 -1.195 20 0 CAADRP O=S(=O)(NC[C@@H]1CCC[NH2+]C1)N1CC[NH2+]CC1 ZINC000923566232 656807154 /nfs/dbraw/zinc/80/71/54/656807154.db2.gz JIUQSUNMHCIWKO-SNVBAGLBSA-N 2 0 262.379 -1.274 20 0 CAADRP COCC[N@H+](C)C[C@@H](O)CN1CCC[C@@H]([NH2+]CCO)C1 ZINC000708545627 656792967 /nfs/dbraw/zinc/79/29/67/656792967.db2.gz PWQBKECAFIUFLN-ZIAGYGMSSA-N 2 0 289.420 -1.028 20 0 CAADRP [NH3+]C[C@@H]1CCCN(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000923564649 656807415 /nfs/dbraw/zinc/80/74/15/656807415.db2.gz AWUFHKGAUUQYMP-JTQLQIEISA-N 2 0 262.379 -1.193 20 0 CAADRP C[NH2+][C@@H]1CCCN(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000923636498 656811668 /nfs/dbraw/zinc/81/16/68/656811668.db2.gz MJCKOKFUIUVYGT-SNVBAGLBSA-N 2 0 262.379 -1.180 20 0 CAADRP CC[NH2+][C@H](C)CNS(=O)(=O)N1CC[NH2+]CC1 ZINC000923637364 656811677 /nfs/dbraw/zinc/81/16/77/656811677.db2.gz WZCDQXOKVOLZQQ-SECBINFHSA-N 2 0 250.368 -1.276 20 0 CAADRP CNS(=O)(=O)[C@H]1CCCN([C@H]2C[C@H]([NH3+])C[C@@H]2O)C1 ZINC000923316135 656802593 /nfs/dbraw/zinc/80/25/93/656802593.db2.gz SJVVAGLWWZQWLS-NAKRPEOUSA-N 2 0 277.390 -1.149 20 0 CAADRP CS(=O)(=O)N[C@H]1CCCN([C@H]2C[C@H]([NH3+])C[C@@H]2O)C1 ZINC000923302994 656802749 /nfs/dbraw/zinc/80/27/49/656802749.db2.gz GPZYZHILIUHTRB-NAKRPEOUSA-N 2 0 277.390 -1.149 20 0 CAADRP CNS(=O)(=O)[C@@H]1CCCN([C@H]2C[C@H]([NH3+])C[C@@H]2O)C1 ZINC000923316136 656802761 /nfs/dbraw/zinc/80/27/61/656802761.db2.gz SJVVAGLWWZQWLS-VLEAKVRGSA-N 2 0 277.390 -1.149 20 0 CAADRP CN(CC(=O)N1CCOCC1)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923302993 656802916 /nfs/dbraw/zinc/80/29/16/656802916.db2.gz GPMBNULHBKMDFK-DCAQKATOSA-N 2 0 257.334 -1.372 20 0 CAADRP COCCCNC(=O)CN(C)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923301334 656803185 /nfs/dbraw/zinc/80/31/85/656803185.db2.gz HXVJTXDAUMWXNZ-DCAQKATOSA-N 2 0 259.350 -1.079 20 0 CAADRP OCC[NH2+][C@H]1CCCN(CCN2CC[NH2+]CC2)C1 ZINC000923406901 656804014 /nfs/dbraw/zinc/80/40/14/656804014.db2.gz QLMXCUOYZUHLRE-ZDUSSCGKSA-N 2 0 256.394 -1.062 20 0 CAADRP [NH3+]CCN(C[C@H](O)CO)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923386960 656804047 /nfs/dbraw/zinc/80/40/47/656804047.db2.gz HVNBKQZHAVNFQC-WDEREUQCSA-N 2 0 259.350 -2.021 20 0 CAADRP CN1CC(=O)N(CC[N@H+](C)CCOCC[NH3+])C1=O ZINC000923404288 656804201 /nfs/dbraw/zinc/80/42/01/656804201.db2.gz YKDATWKTYFNQOU-UHFFFAOYSA-N 2 0 258.322 -1.213 20 0 CAADRP [NH3+]C[C@H]1CC[C@@H](NS(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000923643935 656812203 /nfs/dbraw/zinc/81/22/03/656812203.db2.gz FAXVKACJBNYXLY-VHSXEESVSA-N 2 0 262.379 -1.147 20 0 CAADRP COCC[N@H+](C)C[C@H](O)CN1CCC[C@]([NH3+])(CO)C1 ZINC000923474164 656805374 /nfs/dbraw/zinc/80/53/74/656805374.db2.gz WQVYFTWMAOSWIQ-QWHCGFSZSA-N 2 0 275.393 -1.289 20 0 CAADRP O=S1(=O)NC[C@H]2C[N@H+](CC[C@H]3CC[NH2+]C3)CCN21 ZINC000923549205 656805646 /nfs/dbraw/zinc/80/56/46/656805646.db2.gz GHBRPDRTOUKBQU-MNOVXSKESA-N 2 0 274.390 -1.180 20 0 CAADRP C[C@@H]1C[N@H+](CC(=O)N2CCNC(=O)C2)CC[C@H]1C[NH3+] ZINC000923500116 656805891 /nfs/dbraw/zinc/80/58/91/656805891.db2.gz ODBSVEIBVAPENY-MNOVXSKESA-N 2 0 268.361 -1.139 20 0 CAADRP [NH3+][C@]1(CO)CCCN(CCC(=O)N2CC[NH2+]CC2)C1 ZINC000923477506 656806339 /nfs/dbraw/zinc/80/63/39/656806339.db2.gz KUBBQEVURJSAIW-CYBMUJFWSA-N 2 0 270.377 -1.406 20 0 CAADRP C[C@H]1C[N@H+](CC(=O)N2CCNC(=O)C2)CC[C@H]1C[NH3+] ZINC000923500117 656806465 /nfs/dbraw/zinc/80/64/65/656806465.db2.gz ODBSVEIBVAPENY-QWRGUYRKSA-N 2 0 268.361 -1.139 20 0 CAADRP [NH3+]C[C@@H]1CCC[C@H]1NS(=O)(=O)N1CC[NH2+]CC1 ZINC000923571201 656806831 /nfs/dbraw/zinc/80/68/31/656806831.db2.gz AMNGMOONBWXCHZ-VHSXEESVSA-N 2 0 262.379 -1.147 20 0 CAADRP CN(CCN1CC[NH2+]CC1)S(=O)(=O)[C@H]1CCC[NH2+]C1 ZINC000923568495 656806876 /nfs/dbraw/zinc/80/68/76/656806876.db2.gz FOLHRMPOXLAVMS-LBPRGKRZSA-N 2 0 290.433 -1.095 20 0 CAADRP O=S(=O)(NCC[C@@H]1CC[NH2+]C1)N1CC[NH2+]CC1 ZINC000923568576 656806884 /nfs/dbraw/zinc/80/68/84/656806884.db2.gz GAVLBLCTNLIQOL-JTQLQIEISA-N 2 0 262.379 -1.274 20 0 CAADRP O=S(=O)(NCCN1CC[NH2+]CC1)N1CC[NH2+]CC1 ZINC000923568260 656806970 /nfs/dbraw/zinc/80/69/70/656806970.db2.gz ZVKFCLZXPWHLRJ-UHFFFAOYSA-N 2 0 277.394 -2.369 20 0 CAADRP O=S(=O)(NCCCN1CC[NH2+]CC1)N1CC[NH2+]CC1 ZINC000923563456 656807044 /nfs/dbraw/zinc/80/70/44/656807044.db2.gz MTRMVIFYTWWJHY-UHFFFAOYSA-N 2 0 291.421 -1.979 20 0 CAADRP O=S(=O)(NC[C@H]1CCCC[NH2+]1)N1CC[NH2+]CC1 ZINC000923566452 656807093 /nfs/dbraw/zinc/80/70/93/656807093.db2.gz NLCSNRWUBICQNZ-SNVBAGLBSA-N 2 0 262.379 -1.132 20 0 CAADRP CN(CCN1CC[NH2+]CC1)S(=O)(=O)[C@@H]1CCC[NH2+]C1 ZINC000923568493 656807322 /nfs/dbraw/zinc/80/73/22/656807322.db2.gz FOLHRMPOXLAVMS-GFCCVEGCSA-N 2 0 290.433 -1.095 20 0 CAADRP [NH3+]C[C@@H]1CCC[C@@H]1NS(=O)(=O)N1CC[NH2+]CC1 ZINC000923571199 656807387 /nfs/dbraw/zinc/80/73/87/656807387.db2.gz AMNGMOONBWXCHZ-UWVGGRQHSA-N 2 0 262.379 -1.147 20 0 CAADRP O=S(=O)(NC[C@H]1CCC[NH2+]C1)N1CC[NH2+]CC1 ZINC000923566231 656807395 /nfs/dbraw/zinc/80/73/95/656807395.db2.gz JIUQSUNMHCIWKO-JTQLQIEISA-N 2 0 262.379 -1.274 20 0 CAADRP CN(CCN1CC[NH2+]CC1)S(=O)(=O)N1CC[NH2+]CC1 ZINC000923567618 656807435 /nfs/dbraw/zinc/80/74/35/656807435.db2.gz BVCGFHTUJIMDOB-UHFFFAOYSA-N 2 0 291.421 -2.027 20 0 CAADRP C[NH+](C)C[C@@H]1CN(S(=O)(=O)C2C[NH2+]C2)CCO1 ZINC000923611773 656809816 /nfs/dbraw/zinc/80/98/16/656809816.db2.gz JILQMCVUQGJPNI-SECBINFHSA-N 2 0 263.363 -1.450 20 0 CAADRP COCCC[N@H+](C)CCNS(=O)(=O)C1C[NH2+]C1 ZINC000923620192 656810160 /nfs/dbraw/zinc/81/01/60/656810160.db2.gz QTUVDJAGSUJJIV-UHFFFAOYSA-N 2 0 265.379 -1.154 20 0 CAADRP O=S(=O)(C1C[NH2+]C1)N1CCN(C[C@@H]2CCOC2)CC1 ZINC000923624431 656810359 /nfs/dbraw/zinc/81/03/59/656810359.db2.gz FEXPSJJQFYPEST-NSHDSACASA-N 2 0 289.401 -1.058 20 0 CAADRP C[C@H](O)CN1CCN(S(=O)(=O)C2C[NH2+]C2)C[C@H]1C ZINC000923620636 656810507 /nfs/dbraw/zinc/81/05/07/656810507.db2.gz KGNCYWDLHAGBJE-ZJUUUORDSA-N 2 0 277.390 -1.325 20 0 CAADRP C[C@H](O)CN1CCN(S(=O)(=O)C2C[NH2+]C2)C[C@@H]1C ZINC000923620634 656810543 /nfs/dbraw/zinc/81/05/43/656810543.db2.gz KGNCYWDLHAGBJE-UWVGGRQHSA-N 2 0 277.390 -1.325 20 0 CAADRP [NH3+]C[C@H]1CN(S(=O)(=O)[C@@H]2CCC[NH2+]C2)CCO1 ZINC000923636463 656811339 /nfs/dbraw/zinc/81/13/39/656811339.db2.gz ZNMBICMRGZIRPP-VHSXEESVSA-N 2 0 263.363 -1.272 20 0 CAADRP C[C@H]([NH3+])[C@@H]1CCN(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000923637632 656811531 /nfs/dbraw/zinc/81/15/31/656811531.db2.gz RMIIOINGRJTAJK-VHSXEESVSA-N 2 0 262.379 -1.195 20 0 CAADRP [NH3+][C@H]1CCC[C@H](NS(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000923635735 656811578 /nfs/dbraw/zinc/81/15/78/656811578.db2.gz PKBQPPHWXWPIGX-UWVGGRQHSA-N 2 0 262.379 -1.004 20 0 CAADRP CC1(NS(=O)(=O)N2CC[NH2+]CC2)CC[NH2+]CC1 ZINC000923641137 656811590 /nfs/dbraw/zinc/81/15/90/656811590.db2.gz KCPCNCJZHYNBCQ-UHFFFAOYSA-N 2 0 262.379 -1.132 20 0 CAADRP C[C@H]1[NH2+]CCN(S(=O)(=O)N2CC[NH2+]CC2)[C@H]1C ZINC000923639250 656811751 /nfs/dbraw/zinc/81/17/51/656811751.db2.gz INLJRTSLRZKGEU-ZJUUUORDSA-N 2 0 262.379 -1.181 20 0 CAADRP COCC[NH2+]CCNS(=O)(=O)[C@H]1CCC[NH2+]C1 ZINC000923637443 656811769 /nfs/dbraw/zinc/81/17/69/656811769.db2.gz ZTCRPKHRBAZOLY-JTQLQIEISA-N 2 0 265.379 -1.106 20 0 CAADRP C[C@H]([NH3+])[C@H]1CCN(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000923637630 656811784 /nfs/dbraw/zinc/81/17/84/656811784.db2.gz RMIIOINGRJTAJK-UWVGGRQHSA-N 2 0 262.379 -1.195 20 0 CAADRP C[C@@H]1[NH2+]CCC[C@@H]1NS(=O)(=O)N1CC[NH2+]CC1 ZINC000923639340 656811987 /nfs/dbraw/zinc/81/19/87/656811987.db2.gz LGYIOPPQTNMBJK-UWVGGRQHSA-N 2 0 262.379 -1.134 20 0 CAADRP CN([C@H](C[NH3+])C1CC1)S(=O)(=O)N1CC[NH2+]CC1 ZINC000923640232 656811998 /nfs/dbraw/zinc/81/19/98/656811998.db2.gz JBEGQFMQDXBKKX-SNVBAGLBSA-N 2 0 262.379 -1.195 20 0 CAADRP C[C@@H]1C[NH2+]CC[C@@H]1NS(=O)(=O)N1CC[NH2+]CC1 ZINC000923640348 656812021 /nfs/dbraw/zinc/81/20/21/656812021.db2.gz XPBUJSSQXLJGQV-ZJUUUORDSA-N 2 0 262.379 -1.276 20 0 CAADRP CCO[C@@H]1CN(S(=O)(=O)C2C[NH2+]C2)C[C@H]1C[NH3+] ZINC000923651554 656812287 /nfs/dbraw/zinc/81/22/87/656812287.db2.gz HEERUSQUECGEGH-PSASIEDQSA-N 2 0 263.363 -1.416 20 0 CAADRP CCO[C@@H]1CN(S(=O)(=O)N2CC[NH2+]CC2)C[C@H]1C[NH3+] ZINC000923651935 656812482 /nfs/dbraw/zinc/81/24/82/656812482.db2.gz JAKDCPFGMUWPNU-GHMZBOCLSA-N 2 0 292.405 -1.568 20 0 CAADRP [NH3+]C[C@H]1CN(S(=O)(=O)N2CC[NH2+]CC2)CCCO1 ZINC000923648148 656812558 /nfs/dbraw/zinc/81/25/58/656812558.db2.gz QVHYMEFLBJIXLS-JTQLQIEISA-N 2 0 278.378 -1.814 20 0 CAADRP [NH3+]C[C@H]1CC[C@H](NS(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000923643934 656812605 /nfs/dbraw/zinc/81/26/05/656812605.db2.gz FAXVKACJBNYXLY-UWVGGRQHSA-N 2 0 262.379 -1.147 20 0 CAADRP C[C@H](C[C@H](C)[NH3+])NS(=O)(=O)N1CC[NH2+]CC1 ZINC000923650944 656812745 /nfs/dbraw/zinc/81/27/45/656812745.db2.gz SCKFKCITZYGDHO-DTWKUNHWSA-N 2 0 250.368 -1.148 20 0 CAADRP O=S(=O)([C@H]1CCC[NH2+]C1)N1CCO[C@@H]2C[NH2+]C[C@@H]21 ZINC000923649534 656812756 /nfs/dbraw/zinc/81/27/56/656812756.db2.gz VVOURBCLYXHFLV-GARJFASQSA-N 2 0 275.374 -1.259 20 0 CAADRP CO[C@H]1CN(S(=O)(=O)N2CC[NH2+]CC2)[C@](C)(C[NH3+])C1 ZINC000923661270 656813077 /nfs/dbraw/zinc/81/30/77/656813077.db2.gz CTNODHAZCSFDCI-MNOVXSKESA-N 2 0 292.405 -1.426 20 0 CAADRP C[C@@H]1CC[C@H](NS(=O)(=O)N2CC[NH2+]CC2)C[NH2+]1 ZINC000923661653 656813124 /nfs/dbraw/zinc/81/31/24/656813124.db2.gz HIMMTPGPZHMCPS-ZJUUUORDSA-N 2 0 262.379 -1.134 20 0 CAADRP CO[C@@H]1CN(S(=O)(=O)N2CC[NH2+]CC2)[C@](C)(C[NH3+])C1 ZINC000923661271 656813376 /nfs/dbraw/zinc/81/33/76/656813376.db2.gz CTNODHAZCSFDCI-QWRGUYRKSA-N 2 0 292.405 -1.426 20 0 CAADRP C[NH2+]CCOCCNS(=O)(=O)[C@H]1CCC[NH2+]C1 ZINC000923662846 656813245 /nfs/dbraw/zinc/81/32/45/656813245.db2.gz TVJAVBALNFPRCZ-JTQLQIEISA-N 2 0 265.379 -1.106 20 0 CAADRP CC1(C)[NH2+]CC[C@@H]1NS(=O)(=O)N1CC[NH2+]CC1 ZINC000923656908 656813273 /nfs/dbraw/zinc/81/32/73/656813273.db2.gz VYSSOZQKZYZGBB-VIFPVBQESA-N 2 0 262.379 -1.134 20 0 CAADRP CN(CCC[NH+](C)C)CCNS(=O)(=O)C1C[NH2+]C1 ZINC000923657297 656813590 /nfs/dbraw/zinc/81/35/90/656813590.db2.gz OTZMJSRNDHYXJE-UHFFFAOYSA-N 2 0 278.422 -1.239 20 0 CAADRP C[C@@H]1CN(S(=O)(=O)N2CC[NH2+]CC2)C[C@@H]1C[NH3+] ZINC000923667053 656813713 /nfs/dbraw/zinc/81/37/13/656813713.db2.gz RGJKCGJXYYYRSC-ZJUUUORDSA-N 2 0 262.379 -1.337 20 0 CAADRP C[C@]12C[NH2+]C[C@H]1CN(S(=O)(=O)N1CC[NH2+]CC1)C2 ZINC000923670714 656814138 /nfs/dbraw/zinc/81/41/38/656814138.db2.gz KQQJSDRPNVXZLV-WDEREUQCSA-N 2 0 274.390 -1.322 20 0 CAADRP C[C@@H]1C[NH2+]C[C@H]1CCNS(=O)(=O)N1CC[NH2+]CC1 ZINC000923673024 656814202 /nfs/dbraw/zinc/81/42/02/656814202.db2.gz GYDXRXMXCUJHTL-GHMZBOCLSA-N 2 0 276.406 -1.028 20 0 CAADRP [NH3+]CCN(CC(F)(F)F)S(=O)(=O)N1CC[NH2+]CC1 ZINC000923672774 656814233 /nfs/dbraw/zinc/81/42/33/656814233.db2.gz UMTYZGMKZAGKDJ-UHFFFAOYSA-N 2 0 290.311 -1.041 20 0 CAADRP O=S(=O)(NC[C@@H]1C[NH2+]CCC1(F)F)N1CC[NH2+]CC1 ZINC000923674623 656814360 /nfs/dbraw/zinc/81/43/60/656814360.db2.gz SCEYKOBXVMUKGS-VIFPVBQESA-N 2 0 298.359 -1.029 20 0 CAADRP C(C[N@@H+]1CC[C@H](N[C@H]2C[NH2+]CCOC2)C1)N1CCOCC1 ZINC000925498931 656815416 /nfs/dbraw/zinc/81/54/16/656815416.db2.gz TXUMMTXAGBQENU-GJZGRUSLSA-N 2 0 298.431 -1.029 20 0 CAADRP C(C[N@@H+]1CC[C@H](N[C@@H]2C[NH2+]CCOC2)C1)N1CCOCC1 ZINC000925498933 656815439 /nfs/dbraw/zinc/81/54/39/656815439.db2.gz TXUMMTXAGBQENU-LSDHHAIUSA-N 2 0 298.431 -1.029 20 0 CAADRP [NH3+]CC[C@@H]1CCN(S(=O)(=O)C[C@@H]2C[NH2+]CCO2)C1 ZINC000923697718 656816084 /nfs/dbraw/zinc/81/60/84/656816084.db2.gz AIICOXJQPIXFMO-MNOVXSKESA-N 2 0 277.390 -1.025 20 0 CAADRP [NH3+][C@@]1(CO)CCCN(S(=O)(=O)[C@H]2CCC[NH2+]C2)C1 ZINC000923697139 656816300 /nfs/dbraw/zinc/81/63/00/656816300.db2.gz YMPXEXWLZBTSTB-QWRGUYRKSA-N 2 0 277.390 -1.146 20 0 CAADRP CN(CC[NH+](C)C)C(=O)C(=O)N1CCNCC[NH2+]CC1 ZINC000926301132 656821679 /nfs/dbraw/zinc/82/16/79/656821679.db2.gz YBJLWTUCVIUYAK-UHFFFAOYSA-N 2 0 285.392 -1.972 20 0 CAADRP 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 656823060 /nfs/dbraw/zinc/82/30/60/656823060.db2.gz LRIKCOMAGCMAEV-DDHJBXDOSA-N 2 0 298.387 -1.779 20 0 CAADRP C[NH+](C)CCN1CCN(C[C@@H](O)C2(O)CCC2)CC1=O ZINC000930850871 656842372 /nfs/dbraw/zinc/84/23/72/656842372.db2.gz VGVNMMRSCABTNU-GFCCVEGCSA-N 2 0 285.388 -1.032 20 0 CAADRP C[NH+](C[C@@H](O)CO)[C@H]1CC[C@H]([N@H+](C)C[C@@H](O)CO)CC1 ZINC000931738725 656848743 /nfs/dbraw/zinc/84/87/43/656848743.db2.gz XFJZFDGPUQIBGQ-AAVRWANBSA-N 2 0 290.404 -1.132 20 0 CAADRP O=C(CC[N@@H+]1CCCNC(=O)C1)N1CC[NH2+]CC1 ZINC000087884161 656896946 /nfs/dbraw/zinc/89/69/46/656896946.db2.gz GORDCTKPOLYATP-UHFFFAOYSA-N 2 0 254.334 -1.370 20 0 CAADRP O=C(NC[C@@H]1C[N@H+](CCCO)C[C@@H]1O)C12CC[NH+](CC1)C2 ZINC000958595225 656976504 /nfs/dbraw/zinc/97/65/04/656976504.db2.gz PUNGIFYVPIQGHS-OLZOCXBDSA-N 2 0 297.399 -1.127 20 0 CAADRP NC(=O)CN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC000959918077 656991280 /nfs/dbraw/zinc/99/12/80/656991280.db2.gz FAWLKQZEZOLILR-CIQGVGRVSA-N 2 0 292.383 -1.140 20 0 CAADRP C[C@@H]1CN(C)C[C@H](C(=O)N[C@@H]2[C@H]3CN(CC(N)=O)C[C@H]32)O1 ZINC000960527737 656997066 /nfs/dbraw/zinc/99/70/66/656997066.db2.gz OQAZEASVRBXJEI-HMUNZLOLSA-N 2 0 296.371 -1.763 20 0 CAADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H]([NH2+]CC(N)=O)C1 ZINC001018636606 657237419 /nfs/dbraw/zinc/23/74/19/657237419.db2.gz VYJMWHGLYXRPCE-VHSXEESVSA-N 2 0 254.334 -1.244 20 0 CAADRP C[NH+]1CCC(OCC(=O)N2CC[C@H]([NH2+]CC(N)=O)C2)CC1 ZINC001019574619 657273052 /nfs/dbraw/zinc/27/30/52/657273052.db2.gz LNTANVWOHBBQGI-NSHDSACASA-N 2 0 298.387 -1.227 20 0 CAADRP NC(=O)C[NH2+][C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001019659940 657275286 /nfs/dbraw/zinc/27/52/86/657275286.db2.gz TZSXAAFOECKFFT-JTQLQIEISA-N 2 0 266.345 -1.242 20 0 CAADRP C[C@H](C[NH+]1CCOCC1)C(=O)N1CC[C@H]([NH2+]CC(N)=O)C1 ZINC001019780279 657279586 /nfs/dbraw/zinc/27/95/86/657279586.db2.gz RWKFKBXMIMEAES-NEPJUHHUSA-N 2 0 298.387 -1.370 20 0 CAADRP COC(=O)CCS(=O)(=O)CC[C@@H](C)[NH2+]C[C@@H](O)C[NH3+] ZINC001257915028 782196753 /nfs/dbraw/zinc/19/67/53/782196753.db2.gz KUALXQMMMRMLSK-ZJUUUORDSA-N 2 0 296.389 -1.348 20 0 CAADRP COC[C@@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[NH+](C)C ZINC001114778127 782214089 /nfs/dbraw/zinc/21/40/89/782214089.db2.gz FSEWQQAFKHOGIZ-CIQGVGRVSA-N 2 0 285.388 -1.008 20 0 CAADRP CCOC(=O)CN(CCC[NH3+])C(=O)CNCC[NH3+] ZINC001161157551 782235679 /nfs/dbraw/zinc/23/56/79/782235679.db2.gz FSQVIEOTMVNYBO-UHFFFAOYSA-N 2 0 260.338 -1.725 20 0 CAADRP CN(C(=O)[C@H]1CCC[NH+]1C)[C@H]1C[N@H+](CCCO)C[C@@H]1O ZINC001047323957 782460372 /nfs/dbraw/zinc/46/03/72/782460372.db2.gz DEMXUYOPTUUQDK-AGIUHOORSA-N 2 0 285.388 -1.034 20 0 CAADRP C[C@@H]1[C@H](C(=O)N(C)[C@H]2C[NH+](CCO)C[C@@H]2O)CC[N@@H+]1C ZINC001047385062 782472898 /nfs/dbraw/zinc/47/28/98/782472898.db2.gz WPMXRSMSBLAMSV-NDBYEHHHSA-N 2 0 285.388 -1.178 20 0 CAADRP CN(C(=O)C[C@@H]1CC[NH+](C)C1)[C@H]1C[N@H+](CCO)C[C@@H]1O ZINC001047597866 782496389 /nfs/dbraw/zinc/49/63/89/782496389.db2.gz JLEXPIZMZQJQHJ-AVGNSLFASA-N 2 0 285.388 -1.176 20 0 CAADRP CN(C(=O)[C@@H]1CC[NH+](C)C1)[C@H]1C[N@H+](CCO)C[C@@H]1O ZINC001047629034 782499098 /nfs/dbraw/zinc/49/90/98/782499098.db2.gz QLYBZULBNWRVAR-WOPDTQHZSA-N 2 0 271.361 -1.566 20 0 CAADRP Cc1nccn1CC(=O)N(C)[C@H]1C[N@H+](CCO)C[C@@H]1O ZINC001047624394 782501371 /nfs/dbraw/zinc/50/13/71/782501371.db2.gz IRDMGSXTKUFBIU-RYUDHWBXSA-N 2 0 282.344 -1.313 20 0 CAADRP CN(C(=O)[C@H]1CC[NH+](C)C1)[C@H]1C[N@H+](CCO)C[C@@H]1O ZINC001047629033 782500030 /nfs/dbraw/zinc/50/00/30/782500030.db2.gz QLYBZULBNWRVAR-SRVKXCTJSA-N 2 0 271.361 -1.566 20 0 CAADRP C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[NH+](CC(N)=O)C[C@@H]2C1 ZINC001048719927 782514157 /nfs/dbraw/zinc/51/41/57/782514157.db2.gz FOSNTTTVOIIPDX-GRYCIOLGSA-N 2 0 280.372 -1.044 20 0 CAADRP NC(=O)C[N@H+]1C[C@H]2CN(C(=O)C[NH+]3CCCC3)C[C@H]2C1 ZINC001049217134 782530864 /nfs/dbraw/zinc/53/08/64/782530864.db2.gz MJBUNNQRTBTCON-TXEJJXNPSA-N 2 0 280.372 -1.042 20 0 CAADRP [NH3+][C@@H]1CC[C@H](C[N@@H+]2CCN3C(=O)C(=O)NC[C@@H]3C2)C1 ZINC000903456343 782532361 /nfs/dbraw/zinc/53/23/61/782532361.db2.gz HAFNSSYGDMUGSO-HBNTYKKESA-N 2 0 266.345 -1.244 20 0 CAADRP CON1CC[C@@H]([N@@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)C1=O ZINC000903422459 782532658 /nfs/dbraw/zinc/53/26/58/782532658.db2.gz DJJXZHVYDHSSDN-WDEREUQCSA-N 2 0 284.360 -1.064 20 0 CAADRP CNC(=O)C[N@@H+]1C[C@@H]2C[C@@H]([NH3+])C[C@]2(C(=O)OC)C1 ZINC000903492340 782534386 /nfs/dbraw/zinc/53/43/86/782534386.db2.gz AZIVSDZPIIGSOA-SBMIAAHKSA-N 2 0 255.318 -1.055 20 0 CAADRP C[C@H]([NH2+]CCNC(=O)C1CC[NH+](C)CC1)C(=O)NC(N)=O ZINC001133285708 776773612 /nfs/dbraw/zinc/77/36/12/776773612.db2.gz DUTCGBPPTZUIAE-VIFPVBQESA-N 2 0 299.375 -1.383 20 0 CAADRP CNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)CC[NH+](C)C ZINC001133291719 776773753 /nfs/dbraw/zinc/77/37/53/776773753.db2.gz XKWYXCSCYZTQFI-VIFPVBQESA-N 2 0 287.364 -1.512 20 0 CAADRP C[C@@H]([NH2+]CCNC(=O)CC[NH+](C)C)C(=O)NC(N)=O ZINC001133291741 776774223 /nfs/dbraw/zinc/77/42/23/776774223.db2.gz YDXINEVEJNJGPJ-MRVPVSSYSA-N 2 0 273.337 -1.773 20 0 CAADRP C[NH+]1CCC(C(=O)NCC[NH2+][C@H]2CCC(=O)NC2=O)CC1 ZINC001133287683 776774247 /nfs/dbraw/zinc/77/42/47/776774247.db2.gz LZBJVEKBWLZMMV-NSHDSACASA-N 2 0 296.371 -1.161 20 0 CAADRP C[NH+]1CCC(C(=O)NCC[NH2+][C@@H]2CCC(=O)NC2=O)CC1 ZINC001133287681 776774282 /nfs/dbraw/zinc/77/42/82/776774282.db2.gz LZBJVEKBWLZMMV-LLVKDONJSA-N 2 0 296.371 -1.161 20 0 CAADRP C[NH+]1CCC(C(=O)NCC[NH2+][C@H]2CCNC2=O)CC1 ZINC001133286996 776774307 /nfs/dbraw/zinc/77/43/07/776774307.db2.gz BIKAXDFVADHBGX-NSHDSACASA-N 2 0 268.361 -1.078 20 0 CAADRP C[C@H]([NH2+][C@H](CO)CNC(=O)CC[NH+](C)C)C(N)=O ZINC001283804026 777919192 /nfs/dbraw/zinc/91/91/92/777919192.db2.gz MSVQZGXTRHFICG-IUCAKERBSA-N 2 0 260.338 -2.121 20 0 CAADRP C[C@H]([NH2+][C@@H](CO)CNC(=O)CC[NH+](C)C)C(N)=O ZINC001283804025 777919652 /nfs/dbraw/zinc/91/96/52/777919652.db2.gz MSVQZGXTRHFICG-DTWKUNHWSA-N 2 0 260.338 -2.121 20 0 CAADRP CON(C)CC[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC001120502988 779639338 /nfs/dbraw/zinc/63/93/38/779639338.db2.gz GZNCUJKBHDCBGF-GFCCVEGCSA-N 2 0 260.382 -1.323 20 0 CAADRP CON(C)CC[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC001120502989 779639458 /nfs/dbraw/zinc/63/94/58/779639458.db2.gz GZNCUJKBHDCBGF-LBPRGKRZSA-N 2 0 260.382 -1.323 20 0 CAADRP O=C(C[C@H]1CSCC[NH2+]1)N1CC[NH2+]C[C@H]1CO ZINC001122208333 779661905 /nfs/dbraw/zinc/66/19/05/779661905.db2.gz LOYUCEOPJNJMCG-UWVGGRQHSA-N 2 0 259.375 -1.126 20 0 CAADRP C[C@@H]1C[NH2+]C[C@H]1NC(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC001122224000 779662204 /nfs/dbraw/zinc/66/22/04/779662204.db2.gz AHKGMJACDNOAOT-OPRDCNLKSA-N 2 0 254.334 -1.421 20 0 CAADRP [NH3+]C1CCN(CCNC(=O)[C@H]2C[NH2+]CCO2)CC1 ZINC001122238956 779662387 /nfs/dbraw/zinc/66/23/87/779662387.db2.gz KTWHBPHXQNQMBC-LLVKDONJSA-N 2 0 256.350 -1.486 20 0 CAADRP CC[NH+](CC)CCNC(=O)CN(CC[NH3+])S(C)(=O)=O ZINC001219555494 780229779 /nfs/dbraw/zinc/22/97/79/780229779.db2.gz BTLQUVBDTGQWTR-UHFFFAOYSA-N 2 0 294.421 -1.335 20 0 CAADRP CO[C@@H](C[NH3+])C(=O)N1CCN(C)CC[N@H+](C)CC1 ZINC001122377878 779666890 /nfs/dbraw/zinc/66/68/90/779666890.db2.gz SCUILOUJNYCLML-NSHDSACASA-N 2 0 258.366 -1.334 20 0 CAADRP [NH3+]CCNCC(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC001122535658 779671867 /nfs/dbraw/zinc/67/18/67/779671867.db2.gz DSXULQIVFDNFBB-NWDGAFQWSA-N 2 0 270.377 -1.408 20 0 CAADRP [NH3+]CCNCC(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC001122535662 779672280 /nfs/dbraw/zinc/67/22/80/779672280.db2.gz DSXULQIVFDNFBB-VXGBXAGGSA-N 2 0 270.377 -1.408 20 0 CAADRP [NH3+]CCOCCOCCNC(=O)[C@H]1C[NH2+]C[C@@H]1O ZINC001220519502 780358352 /nfs/dbraw/zinc/35/83/52/780358352.db2.gz QKESYBNRUHDOLF-UWVGGRQHSA-N 2 0 261.322 -2.325 20 0 CAADRP COC(=O)CNC(=O)CNC(=O)[C@@H]([NH3+])CCC[NH3+] ZINC001220576058 780364830 /nfs/dbraw/zinc/36/48/30/780364830.db2.gz RAWKDWVGRHVUMG-ZETCQYMHSA-N 2 0 260.294 -2.542 20 0 CAADRP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)n1 ZINC001118574671 779577600 /nfs/dbraw/zinc/57/76/00/779577600.db2.gz WHBZMCDCHTZLIB-VROVMSAKSA-N 2 0 263.301 -1.278 20 0 CAADRP C[C@@H]1C[C@@H](NC(=O)C(=O)NC[C@@H]2COCC[NH2+]2)CC[N@@H+]1C ZINC001118864233 779591474 /nfs/dbraw/zinc/59/14/74/779591474.db2.gz ANKDGEVINIUICL-GRYCIOLGSA-N 2 0 298.387 -1.310 20 0 CAADRP [NH3+][C@@H]1CN(S(=O)(=O)C2CC[NH2+]CC2)CC[C@H]1O ZINC001238958870 780526132 /nfs/dbraw/zinc/52/61/32/780526132.db2.gz UILDKNDUJNCQAO-NXEZZACHSA-N 2 0 263.363 -1.538 20 0 CAADRP CNC(=O)[C@H](CCCC[NH3+])NS(=O)(=O)[C@H]1CC[NH2+]C1 ZINC001238918897 780526256 /nfs/dbraw/zinc/52/62/56/780526256.db2.gz XIRUOZDEFNNMMC-UWVGGRQHSA-N 2 0 292.405 -1.489 20 0 CAADRP [NH3+][C@@H]1CCN(S(=O)(=O)CC2CC[NH2+]CC2)C[C@H]1O ZINC001238950206 780526545 /nfs/dbraw/zinc/52/65/45/780526545.db2.gz TYXWZAVSHXYCKG-GHMZBOCLSA-N 2 0 277.390 -1.290 20 0 CAADRP [NH3+][C@H]1C[C@@H](O)CN(S(=O)(=O)CC2CC[NH2+]CC2)C1 ZINC001238926529 780526603 /nfs/dbraw/zinc/52/66/03/780526603.db2.gz QBQWEGXJRRIKTD-WDEREUQCSA-N 2 0 277.390 -1.290 20 0 CAADRP [NH3+]C[C@]1(O)CCCCN(S(=O)(=O)[C@@H]2CC[NH2+]C2)C1 ZINC001238944249 780526616 /nfs/dbraw/zinc/52/66/16/780526616.db2.gz PYJUXCYQSPBKGW-GHMZBOCLSA-N 2 0 277.390 -1.146 20 0 CAADRP [NH3+]C[C@H]1CN(S(=O)(=O)C2CC[NH2+]CC2)C[C@H]1O ZINC001238969677 780526872 /nfs/dbraw/zinc/52/68/72/780526872.db2.gz CESHVMOHQCVATO-WCBMZHEXSA-N 2 0 263.363 -1.680 20 0 CAADRP [NH3+]CCS(=O)(=O)N1CC(=O)NC[C@]12CC[NH2+]C2 ZINC001239005802 780527030 /nfs/dbraw/zinc/52/70/30/780527030.db2.gz ROVGDMJMTPCJHU-SECBINFHSA-N 2 0 262.335 -2.561 20 0 CAADRP [NH3+]C[C@H]1CN(S(=O)(=O)C2CC[NH2+]CC2)C[C@@H]1O ZINC001238969165 780527105 /nfs/dbraw/zinc/52/71/05/780527105.db2.gz CESHVMOHQCVATO-WPRPVWTQSA-N 2 0 263.363 -1.680 20 0 CAADRP O=S(=O)(CC1CC[NH2+]CC1)N1CCOC2(C[NH2+]C2)C1 ZINC001239010659 780527322 /nfs/dbraw/zinc/52/73/22/780527322.db2.gz XZSNIJAPFUMXIS-UHFFFAOYSA-N 2 0 289.401 -1.010 20 0 CAADRP [NH3+]CCS(=O)(=O)N1CCO[C@]2(CCC[NH2+]C2)C1 ZINC001239006621 780527510 /nfs/dbraw/zinc/52/75/10/780527510.db2.gz XKAKSOZVDPPOPN-JTQLQIEISA-N 2 0 263.363 -1.271 20 0 CAADRP C[NH+](C)CCN1CCN(S(=O)(=O)CC[NH3+])CCC1=O ZINC001239101097 780530057 /nfs/dbraw/zinc/53/00/57/780530057.db2.gz CDZMWTMSAQCURA-UHFFFAOYSA-N 2 0 292.405 -1.629 20 0 CAADRP COC(=O)[C@@H]1C[C@@H]([NH3+])CN(S(=O)(=O)CC[NH3+])C1 ZINC001239088872 780530175 /nfs/dbraw/zinc/53/01/75/780530175.db2.gz NAFYSQNKDITCPZ-HTQZYQBOSA-N 2 0 265.335 -1.903 20 0 CAADRP CN(CCN1CC[NH+](C)CC1)S(=O)(=O)CC[NH3+] ZINC001239100863 780530391 /nfs/dbraw/zinc/53/03/91/780530391.db2.gz PJEHYRSBSQEURT-UHFFFAOYSA-N 2 0 264.395 -1.546 20 0 CAADRP COC(=O)[C@@H]1C[C@H]([NH3+])CN1S(=O)(=O)[C@@H]1CC[NH2+]C1 ZINC001239122423 780532565 /nfs/dbraw/zinc/53/25/65/780532565.db2.gz WMUFQGLDRMTIGA-YIZRAAEISA-N 2 0 277.346 -1.747 20 0 CAADRP [NH3+]CCCNC(=O)CN(CCC[NH3+])S(=O)(=O)CC[NH3+] ZINC001239130887 780532990 /nfs/dbraw/zinc/53/29/90/780532990.db2.gz HPHAWPPCNQOKTP-UHFFFAOYSA-N 3 0 295.409 -2.609 20 0 CAADRP COC(=O)[C@@H]1CN(S(=O)(=O)[C@@H]2CC[NH2+]C2)C[C@H]1[NH3+] ZINC001239136364 780533177 /nfs/dbraw/zinc/53/31/77/780533177.db2.gz RMZDOJGGRKIGPG-IWSPIJDZSA-N 2 0 277.346 -1.890 20 0 CAADRP COC(=O)[C@@H]1CN(S(=O)(=O)[C@H]2CC[NH2+]C2)C[C@@H]1[NH3+] ZINC001239136366 780533193 /nfs/dbraw/zinc/53/31/93/780533193.db2.gz RMZDOJGGRKIGPG-YIZRAAEISA-N 2 0 277.346 -1.890 20 0 CAADRP COC(=O)[C@@H]1CN(S(=O)(=O)C2CC[NH2+]CC2)C[C@H]1[NH3+] ZINC001239135207 780533496 /nfs/dbraw/zinc/53/34/96/780533496.db2.gz MUSPGRFIYGWWRG-NXEZZACHSA-N 2 0 291.373 -1.500 20 0 CAADRP COC(=O)[C@@H]1CN(S(=O)(=O)[C@@H]2CC[NH2+]C2)C[C@@H]1[NH3+] ZINC001239136362 780533555 /nfs/dbraw/zinc/53/35/55/780533555.db2.gz RMZDOJGGRKIGPG-HLTSFMKQSA-N 2 0 277.346 -1.890 20 0 CAADRP C[NH+](C)CCN([C@H]1CCC[NH2+]C1)S(=O)(=O)CC[NH3+] ZINC001239168358 780534390 /nfs/dbraw/zinc/53/43/90/780534390.db2.gz YQGQLLDVPYJCCZ-NSHDSACASA-N 3 0 278.422 -1.110 20 0 CAADRP CO[C@@H]1CN(S(=O)(=O)CC2CC[NH2+]CC2)C[C@@H]1[NH3+] ZINC001239171810 780534477 /nfs/dbraw/zinc/53/44/77/780534477.db2.gz GUERXUVDHNBGOA-WDEREUQCSA-N 2 0 277.390 -1.026 20 0 CAADRP C[NH+](C)CCNC(=S)NCCCC[C@H]([NH3+])C(N)=O ZINC001239387979 780535739 /nfs/dbraw/zinc/53/57/39/780535739.db2.gz CPIIAZWYWWMZJR-VIFPVBQESA-N 2 0 275.422 -1.005 20 0 CAADRP C1[NH2+]CC12C[C@H](N1CCOC3(C[NH2+]C3)C1)CCN2 ZINC001246620656 780558178 /nfs/dbraw/zinc/55/81/78/780558178.db2.gz LBQFMTIOQNLLJD-LLVKDONJSA-N 2 0 252.362 -1.245 20 0 CAADRP C1[NH2+]CC12C[C@@H](N1CCN3CC[NH2+]C[C@@H]3C1)CCN2 ZINC001246624794 780558435 /nfs/dbraw/zinc/55/84/35/780558435.db2.gz OZXDLHKVADFKJZ-QWHCGFSZSA-N 2 0 265.405 -1.330 20 0 CAADRP COC(=O)[C@H]1C[NH2+]CCN1[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246626730 780558665 /nfs/dbraw/zinc/55/86/65/780558665.db2.gz UYFVMMFZPMPETP-GHMZBOCLSA-N 2 0 268.361 -1.473 20 0 CAADRP C1[NH2+]CC12C[C@@H](N1CCOC3(C[NH2+]C3)C1)CCN2 ZINC001246620659 780558839 /nfs/dbraw/zinc/55/88/39/780558839.db2.gz LBQFMTIOQNLLJD-NSHDSACASA-N 2 0 252.362 -1.245 20 0 CAADRP CCOC(=O)[C@H]1C[NH2+]CCN1[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246599079 780558871 /nfs/dbraw/zinc/55/88/71/780558871.db2.gz CESDRXIMNKHQSR-VXGBXAGGSA-N 2 0 282.388 -1.083 20 0 CAADRP C1[NH2+]CC12C[C@H]([N@@H+]1CCOC[C@@]3(CNCCO3)C1)CCN2 ZINC001246601129 780558973 /nfs/dbraw/zinc/55/89/73/780558973.db2.gz GWKQNTLTTFMTDT-UKRRQHHQSA-N 2 0 296.415 -1.229 20 0 CAADRP C1[NH2+]CC12C[C@H](N1CCO[C@@H]3C[NH2+]C[C@H]31)CCN2 ZINC001246626248 780559253 /nfs/dbraw/zinc/55/92/53/780559253.db2.gz HSKNEYATXLXFDX-IJLUTSLNSA-N 2 0 252.362 -1.247 20 0 CAADRP C1[NH2+]CC12C[C@@H]([N@@H+]1CCOC[C@]3(CNCCO3)C1)CCN2 ZINC001246601132 780559256 /nfs/dbraw/zinc/55/92/56/780559256.db2.gz GWKQNTLTTFMTDT-ZFWWWQNUSA-N 2 0 296.415 -1.229 20 0 CAADRP COC(=O)CCS(=O)(=O)CC[C@H](C)[NH2+]C[C@H](O)C[NH3+] ZINC001257915027 780630505 /nfs/dbraw/zinc/63/05/05/780630505.db2.gz KUALXQMMMRMLSK-VHSXEESVSA-N 2 0 296.389 -1.348 20 0 CAADRP COC(=O)[C@H](CCC[NH3+])NC(=O)[C@@H]1C[C@H]([NH3+])CN1 ZINC001221190517 780405199 /nfs/dbraw/zinc/40/51/99/780405199.db2.gz QLTXCNCGKSAPOQ-CIUDSAMLSA-N 2 0 258.322 -1.928 20 0 CAADRP COC(=O)[C@H](CCC[NH3+])NC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1 ZINC001221187647 780405604 /nfs/dbraw/zinc/40/56/04/780405604.db2.gz DCIIQYRDQJFAKS-XWLWVQCSSA-N 2 0 284.360 -1.667 20 0 CAADRP COC(=O)[C@H](CCC[NH3+])NC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC001221187613 780405829 /nfs/dbraw/zinc/40/58/29/780405829.db2.gz BUXXHASUIJSFRL-QCLAVDOMSA-N 2 0 255.318 -1.152 20 0 CAADRP COC(=O)[C@H](CCC[NH3+])NC(=O)[C@]1(N)CC[NH2+]C1 ZINC001221190474 780405852 /nfs/dbraw/zinc/40/58/52/780405852.db2.gz OXGHZTBGJWLTTH-KWQFWETISA-N 2 0 258.322 -1.926 20 0 CAADRP COC(=O)[C@H](CCC[NH3+])NC(=O)[C@@H]([NH3+])CC[S@@](C)=O ZINC001221188494 780405859 /nfs/dbraw/zinc/40/58/59/780405859.db2.gz WUVZIRZJNYDVEK-OCCIGCLGSA-N 2 0 293.389 -1.521 20 0 CAADRP COC(=O)[C@H](CCC[NH3+])NC(=O)C1(N)CC[NH2+]CC1 ZINC001221188260 780406033 /nfs/dbraw/zinc/40/60/33/780406033.db2.gz QWXYFOYPFRZXOM-VIFPVBQESA-N 2 0 272.349 -1.536 20 0 CAADRP COC(=O)[C@H](CCC[NH3+])NC(=O)[C@@H]([NH3+])CC[S@](C)=O ZINC001221188499 780406164 /nfs/dbraw/zinc/40/61/64/780406164.db2.gz WUVZIRZJNYDVEK-OWXODZSWSA-N 2 0 293.389 -1.521 20 0 CAADRP COC(=O)[C@H](CCC[NH3+])NC(=O)[C@@]12CC[C@@H](N1)[C@H]([NH3+])C2 ZINC001221187581 780406258 /nfs/dbraw/zinc/40/62/58/780406258.db2.gz ANXNJWBHAFESMR-DNJQJEMRSA-N 2 0 284.360 -1.395 20 0 CAADRP COC(=O)[C@H](CCC[NH3+])NC(=O)[C@H]1[NH2+]CC[C@H]1O ZINC001221190561 780406290 /nfs/dbraw/zinc/40/62/90/780406290.db2.gz RNYHQXMFKAHWAI-YIZRAAEISA-N 2 0 259.306 -1.894 20 0 CAADRP [NH3+]CCSC[C@H]([NH3+])C(=O)N[C@@H]1CCCNC(=O)C1 ZINC001221269038 780412874 /nfs/dbraw/zinc/41/28/74/780412874.db2.gz GUOWVLWKSCUZJU-BDAKNGLRSA-N 2 0 274.390 -1.210 20 0 CAADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)N[C@H]1CCCNC(=O)C1 ZINC001221269871 780413181 /nfs/dbraw/zinc/41/31/81/780413181.db2.gz ZZKDSORXNINACW-NWDGAFQWSA-N 2 0 297.403 -1.478 20 0 CAADRP COC(=O)C1(CNS(=O)(=O)CC[NH3+])CC[NH2+]CC1 ZINC001238107345 780512581 /nfs/dbraw/zinc/51/25/81/780512581.db2.gz FTBLWNSFIMQUKA-UHFFFAOYSA-N 2 0 279.362 -1.593 20 0 CAADRP [NH3+]CCS(=O)(=O)NC[C@]1(O)CC[NH2+]C[C@@H]1F ZINC001238075476 780512751 /nfs/dbraw/zinc/51/27/51/780512751.db2.gz OOMNSKODDAQUJP-JGVFFNPUSA-N 2 0 255.315 -2.073 20 0 CAADRP [NH3+]CCS(=O)(=O)NC[C@@]1(O)CCCC[NH2+]C1 ZINC001238089245 780512973 /nfs/dbraw/zinc/51/29/73/780512973.db2.gz DXKOUWWFHLFCMV-SECBINFHSA-N 2 0 251.352 -1.631 20 0 CAADRP O=S(=O)(NC[C@]1(O)CC[NH2+]C[C@@H]1F)[C@H]1CC[NH2+]C1 ZINC001238075420 780513021 /nfs/dbraw/zinc/51/30/21/780513021.db2.gz OIQVDUDQOIVKSH-LPEHRKFASA-N 2 0 281.353 -1.670 20 0 CAADRP O=S(=O)(N[C@@H]1CC[NH2+]C[C@H]1F)[C@H]1CC[NH2+]C1 ZINC001238058027 780513070 /nfs/dbraw/zinc/51/30/70/780513070.db2.gz YZNBRWSSNXRVOH-DJLDLDEBSA-N 2 0 251.327 -1.032 20 0 CAADRP O=S(=O)(N[C@@H]1CC[NH2+]C[C@H]1F)[C@@H]1CC[NH2+]C1 ZINC001238058034 780513269 /nfs/dbraw/zinc/51/32/69/780513269.db2.gz YZNBRWSSNXRVOH-IWSPIJDZSA-N 2 0 251.327 -1.032 20 0 CAADRP O=S(=O)(NC[C@]1(O)CC[NH2+]C[C@@H]1F)[C@@H]1CC[NH2+]C1 ZINC001238075393 780513348 /nfs/dbraw/zinc/51/33/48/780513348.db2.gz OIQVDUDQOIVKSH-KXUCPTDWSA-N 2 0 281.353 -1.670 20 0 CAADRP O=S(=O)(N[C@H]1CC[NH2+]C[C@@H]1F)[C@@H]1CC[NH2+]C1 ZINC001238087932 780513414 /nfs/dbraw/zinc/51/34/14/780513414.db2.gz YZNBRWSSNXRVOH-VGMNWLOBSA-N 2 0 251.327 -1.032 20 0 CAADRP [NH3+]CCS(=O)(=O)NCc1noc2c1C[NH2+]CC2 ZINC001238288343 780515335 /nfs/dbraw/zinc/51/53/35/780515335.db2.gz FOKIHNAVNQULDG-UHFFFAOYSA-N 2 0 260.319 -1.302 20 0 CAADRP [NH3+]CCS(=O)(=O)NC[C@@H]1CC2(CC[NH2+]CC2)O1 ZINC001238291738 780515614 /nfs/dbraw/zinc/51/56/14/780515614.db2.gz GFAFEYKLDAEVGG-VIFPVBQESA-N 2 0 263.363 -1.224 20 0 CAADRP O=S(=O)(CC1CC[NH2+]CC1)N[C@H]1C[NH2+][C@@H](CO)C1 ZINC001238576642 780518596 /nfs/dbraw/zinc/51/85/96/780518596.db2.gz PVTQVHAHIUYGCE-GHMZBOCLSA-N 2 0 277.390 -1.372 20 0 CAADRP CC(C)[NH+]1CCN(CCNS(=O)(=O)CC[NH3+])CC1 ZINC001238523083 780518712 /nfs/dbraw/zinc/51/87/12/780518712.db2.gz IIFSBTXNLYYQCO-UHFFFAOYSA-N 2 0 278.422 -1.110 20 0 CAADRP CO[C@H]1C[NH2+]C[C@@H]1NS(=O)(=O)CC1CC[NH2+]CC1 ZINC001238524557 780519001 /nfs/dbraw/zinc/51/90/01/780519001.db2.gz CNHXNOZDJDTORQ-QWRGUYRKSA-N 2 0 277.390 -1.108 20 0 CAADRP O=S(=O)(CC1CC[NH2+]CC1)NC[C@@]1(O)CC[NH2+]C1 ZINC001238469158 780519056 /nfs/dbraw/zinc/51/90/56/780519056.db2.gz GAWTUOAYAXJREW-LLVKDONJSA-N 2 0 277.390 -1.370 20 0 CAADRP COC[C@@H]([NH3+])CNS(=O)(=O)CC1CC[NH2+]CC1 ZINC001238529185 780519113 /nfs/dbraw/zinc/51/91/13/780519113.db2.gz WTLWFSJOVBVAFS-JTQLQIEISA-N 2 0 265.379 -1.121 20 0 CAADRP O=S(=O)(CC1CC[NH2+]CC1)N[C@H]1C[NH2+][C@H](CO)C1 ZINC001238456607 780519115 /nfs/dbraw/zinc/51/91/15/780519115.db2.gz PVTQVHAHIUYGCE-MNOVXSKESA-N 2 0 277.390 -1.372 20 0 CAADRP [NH3+]CCS(=O)(=O)NC[C@H](O)C1CC[NH2+]CC1 ZINC001238514661 780519366 /nfs/dbraw/zinc/51/93/66/780519366.db2.gz YZIBFKJYLXGTFQ-VIFPVBQESA-N 2 0 251.352 -1.775 20 0 CAADRP CCOC(=O)[C@@H]1C[NH2+]CC[C@H]1NS(=O)(=O)CC[NH3+] ZINC001238411845 780519500 /nfs/dbraw/zinc/51/95/00/780519500.db2.gz GZDNZNVPGDNWSC-RKDXNWHRSA-N 2 0 279.362 -1.594 20 0 CAADRP O=S(=O)(CC1CC[NH2+]CC1)N[C@@H]1CC[NH2+]C[C@@H]1CO ZINC001238712250 780522297 /nfs/dbraw/zinc/52/22/97/780522297.db2.gz AGLFHWNPGSUEHB-VXGBXAGGSA-N 2 0 291.417 -1.124 20 0 CAADRP NC(=O)[C@@H]([NH3+])CCCCNS(=O)(=O)[C@H]1CC[NH2+]C1 ZINC001238839405 780524536 /nfs/dbraw/zinc/52/45/36/780524536.db2.gz REGFVUGYORXKIE-IUCAKERBSA-N 2 0 278.378 -1.749 20 0 CAADRP [NH3+]CCC[NH2+]CCCNS(=O)(=O)[C@H]1CC[NH2+]C1 ZINC001238878519 780524921 /nfs/dbraw/zinc/52/49/21/780524921.db2.gz HMVNOWMOMJBQPI-JTQLQIEISA-N 3 0 264.395 -1.404 20 0 CAADRP COC(=O)[C@@H](NS(=O)(=O)CC[NH3+])[C@H]1CC[NH2+]C1 ZINC001238897393 780525053 /nfs/dbraw/zinc/52/50/53/780525053.db2.gz KDTUWCFSPSEDHG-YUMQZZPRSA-N 2 0 265.335 -1.984 20 0 CAADRP NC(=O)[C@@H]([NH3+])CCCCNS(=O)(=O)CC[NH3+] ZINC001238838226 780525289 /nfs/dbraw/zinc/52/52/89/780525289.db2.gz GHTKGERWQFXLBS-ZETCQYMHSA-N 2 0 252.340 -2.153 20 0 CAADRP [NH3+]CCCC[NH2+]CCCNS(=O)(=O)CC[NH3+] ZINC001238878994 780525414 /nfs/dbraw/zinc/52/54/14/780525414.db2.gz FYQOYVUSIBGKTQ-UHFFFAOYSA-N 3 0 252.384 -1.417 20 0 CAADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]CCN2CCNC(=O)C2)CC1 ZINC001261436529 780663831 /nfs/dbraw/zinc/66/38/31/780663831.db2.gz FCKHMRGFZMRCFU-ZDUSSCGKSA-N 2 0 299.419 -2.384 20 0 CAADRP [NH3+]CCOCC(=O)NCCC[NH+]1CCC(O)CC1 ZINC001261459315 780663868 /nfs/dbraw/zinc/66/38/68/780663868.db2.gz IGUDWACYHPFTDZ-UHFFFAOYSA-N 2 0 259.350 -1.075 20 0 CAADRP [NH3+]CCN1CCC[C@@H](C(=O)N2CC[C@@H](C[NH3+])C2)C1=O ZINC001262553956 780715768 /nfs/dbraw/zinc/71/57/68/780715768.db2.gz OHIYWEGREKEHJN-WDEREUQCSA-N 2 0 268.361 -1.009 20 0 CAADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)[C@@]2(C)C[C@H](O)C[NH2+]2)CCO1 ZINC001262554892 780716163 /nfs/dbraw/zinc/71/61/63/780716163.db2.gz VQQRBXIGIZCNKS-QFOLPQNPSA-N 2 0 257.334 -1.326 20 0 CAADRP NC(=[NH2+])N(CCCC[NH3+])C(=O)CCCS(N)(=O)=O ZINC001144595147 781458997 /nfs/dbraw/zinc/45/89/97/781458997.db2.gz RJEHAISOILTOQF-UHFFFAOYSA-N 2 0 279.366 -1.484 20 0 CAADRP [NH3+][C@H](CO)C(=O)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC001263102124 780719397 /nfs/dbraw/zinc/71/93/97/780719397.db2.gz LPTGLNHKXMIIEO-WDEREUQCSA-N 2 0 257.334 -1.513 20 0 CAADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)CNCC[NH3+])CC1 ZINC001263103241 780719901 /nfs/dbraw/zinc/71/99/01/780719901.db2.gz TVTAWQKSQYJTDY-ZDUSSCGKSA-N 2 0 285.436 -1.076 20 0 CAADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)CNCC[NH3+])CC1 ZINC001263099415 780720026 /nfs/dbraw/zinc/72/00/26/780720026.db2.gz KDWDXJGEGQRPDV-UHFFFAOYSA-N 2 0 299.419 -1.453 20 0 CAADRP CC[NH+]1CCN(CCCNC(=O)C[C@@H](O)C[NH3+])CC1 ZINC001263103047 780720039 /nfs/dbraw/zinc/72/00/39/780720039.db2.gz MJTLZIOPIJXMKG-GFCCVEGCSA-N 2 0 272.393 -1.160 20 0 CAADRP [NH3+][C@H](CO)C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC001263102474 780720235 /nfs/dbraw/zinc/72/02/35/780720235.db2.gz WAXCXCYAYPYMFH-LLVKDONJSA-N 2 0 257.334 -1.371 20 0 CAADRP C[NH2+]C[C@H](O)CN(C)C(=O)CO[C@@H]1CCC[NH2+]C1 ZINC001263170494 780723522 /nfs/dbraw/zinc/72/35/22/780723522.db2.gz RDBGNEPKKRTREP-WDEREUQCSA-N 2 0 259.350 -1.206 20 0 CAADRP C[NH2+]C[C@@H](O)CN(C)C(=O)CO[C@H]1CCC[NH2+]C1 ZINC001263170492 780724182 /nfs/dbraw/zinc/72/41/82/780724182.db2.gz RDBGNEPKKRTREP-MNOVXSKESA-N 2 0 259.350 -1.206 20 0 CAADRP COC(=O)[C@@H]1C[N@@H+]([C@H]2CCNC3(C[NH2+]C3)C2)CCO1 ZINC001246565127 781454262 /nfs/dbraw/zinc/45/42/62/781454262.db2.gz ACEWGEIMMGLFCK-QWRGUYRKSA-N 2 0 269.345 -1.046 20 0 CAADRP CO[C@@H](C[NH3+])C(=O)NC[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000394382022 782760784 /nfs/dbraw/zinc/76/07/84/782760784.db2.gz OWGOCDIZUCXUTE-MNOVXSKESA-N 2 0 256.350 -1.534 20 0 CAADRP CN(CCC[NH2+]CC(=O)NC(N)=O)C(=O)C[NH+]1CCCC1 ZINC001276386936 782790815 /nfs/dbraw/zinc/79/08/15/782790815.db2.gz SWVBPKCFRLWPDE-UHFFFAOYSA-N 2 0 299.375 -1.285 20 0 CAADRP C[NH+](C)CC1(C(=O)N[C@@H]2CC[N@H+](CCO)C[C@@H]2O)CC1 ZINC001099971879 782844625 /nfs/dbraw/zinc/84/46/25/782844625.db2.gz NQAIKMNRHMXHEJ-NEPJUHHUSA-N 2 0 285.388 -1.128 20 0 CAADRP C[NH+](C)CCCC(=O)N[C@H]1CC[N@H+](CCO)C[C@H]1O ZINC001099974186 782845006 /nfs/dbraw/zinc/84/50/06/782845006.db2.gz ODUGGNIZGCURPS-NWDGAFQWSA-N 2 0 273.377 -1.128 20 0 CAADRP C[NH+](C)CCC(=O)N[C@@H]1CC[N@H+](CCCO)C[C@H]1O ZINC001099988256 782847341 /nfs/dbraw/zinc/84/73/41/782847341.db2.gz FVWGTARKHQXXAQ-VXGBXAGGSA-N 2 0 273.377 -1.128 20 0 CAADRP C[NH+](C)CC1(C(=O)N[C@H]2CC[N@H+](CCO)C[C@@H]2O)CC1 ZINC001099971881 782846130 /nfs/dbraw/zinc/84/61/30/782846130.db2.gz NQAIKMNRHMXHEJ-RYUDHWBXSA-N 2 0 285.388 -1.128 20 0 CAADRP C[NH+](C)CCC(=O)N[C@H]1CC[N@H+](CCCO)C[C@@H]1O ZINC001099988255 782847033 /nfs/dbraw/zinc/84/70/33/782847033.db2.gz FVWGTARKHQXXAQ-RYUDHWBXSA-N 2 0 273.377 -1.128 20 0 CAADRP C[NH+](C)CCC(=O)N[C@@H]1CC[N@H+](CCO)C[C@@H]1O ZINC001099988122 782847128 /nfs/dbraw/zinc/84/71/28/782847128.db2.gz CMMQLILGXWMAHX-MNOVXSKESA-N 2 0 259.350 -1.518 20 0 CAADRP CC[NH+](CC)CC(=O)N[C@@H]1CC[N@H+](CCO)C[C@H]1O ZINC001100042088 782848956 /nfs/dbraw/zinc/84/89/56/782848956.db2.gz SVELYLIISDMRHU-VXGBXAGGSA-N 2 0 273.377 -1.128 20 0 CAADRP C[NH+](C)CCOCC(=O)N[C@@H]1CC[N@H+](CCO)C[C@H]1O ZINC001100074270 782851949 /nfs/dbraw/zinc/85/19/49/782851949.db2.gz KPEQMVQZGCDLGV-VXGBXAGGSA-N 2 0 289.376 -1.892 20 0 CAADRP CC[N@H+](C)CCC(=O)N[C@@H]1CC[NH+](CCO)C[C@H]1O ZINC001100067431 782852039 /nfs/dbraw/zinc/85/20/39/782852039.db2.gz RMAWJWFVYVUYRH-VXGBXAGGSA-N 2 0 273.377 -1.128 20 0 CAADRP CCC[N@H+](C)CC(=O)N[C@@H]1CC[NH+](CCO)C[C@H]1O ZINC001100080127 782852144 /nfs/dbraw/zinc/85/21/44/782852144.db2.gz DURPOJVYQATREV-VXGBXAGGSA-N 2 0 273.377 -1.128 20 0 CAADRP C[NH+](C)CCC(=O)NCC1CC([NH2+]CC(=O)NC(N)=O)C1 ZINC001100637304 782860022 /nfs/dbraw/zinc/86/00/22/782860022.db2.gz MBGQUXDNTQKBKS-UHFFFAOYSA-N 2 0 299.375 -1.383 20 0 CAADRP C[C@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)COCC[NH+](C)C ZINC001115125641 782879581 /nfs/dbraw/zinc/87/95/81/782879581.db2.gz ACEDCXPOGPJFDE-CIQGVGRVSA-N 2 0 285.388 -1.008 20 0 CAADRP C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1[C@H]2C[N@H+](CCO)C[C@H]21 ZINC001115245312 782880653 /nfs/dbraw/zinc/88/06/53/782880653.db2.gz PERRDPGEPFEYMM-IGQOVBAYSA-N 2 0 297.399 -1.007 20 0 CAADRP CN(C)C(=O)N[C@@H]1CCCN(C(=O)[C@@H]2C[C@@H]([NH3+])CN2)C1 ZINC001161288710 775106806 /nfs/dbraw/zinc/10/68/06/775106806.db2.gz KLMGSEWJWFHWGE-MXWKQRLJSA-N 2 0 283.376 -1.062 20 0 CAADRP [NH3+][C@H]1CN(c2ccc(N3CC[NH2+]CC3)cn2)C[C@H]1O ZINC001167091503 775117475 /nfs/dbraw/zinc/11/74/75/775117475.db2.gz BHQRLEKNQPGOFX-NWDGAFQWSA-N 2 0 263.345 -1.001 20 0 CAADRP [NH3+][C@H]1CN(c2ncccc2C(=O)N2CC[NH2+]CC2)C[C@H]1O ZINC001167092625 775117555 /nfs/dbraw/zinc/11/75/55/775117555.db2.gz NRMIHTUSIWMMPN-NWDGAFQWSA-N 2 0 291.355 -1.365 20 0 CAADRP CN(CC[NH2+]CC(=O)NC(N)=O)C(=O)[C@H]1CCC[N@@H+]1C ZINC001266660954 775159039 /nfs/dbraw/zinc/15/90/39/775159039.db2.gz XXSHXXNJZLQCAV-SECBINFHSA-N 2 0 285.348 -1.677 20 0 CAADRP CN(CC[NH2+]CC(=O)NC(N)=O)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001266660955 775159546 /nfs/dbraw/zinc/15/95/46/775159546.db2.gz XXSHXXNJZLQCAV-VIFPVBQESA-N 2 0 285.348 -1.677 20 0 CAADRP CCN(C(=O)[C@@H]1COC2(C[NH2+]C2)CN1)[C@@H]1CCC[NH2+]C1 ZINC001161332798 775159600 /nfs/dbraw/zinc/15/96/00/775159600.db2.gz PHIKGPBZCALVOM-NEPJUHHUSA-N 2 0 282.388 -1.083 20 0 CAADRP CN(CC[NH2+]CC(N)=O)C(=O)C1CC[NH+](C)CC1 ZINC001266827302 775175416 /nfs/dbraw/zinc/17/54/16/775175416.db2.gz RGPYQPSQJBYACK-UHFFFAOYSA-N 2 0 256.350 -1.139 20 0 CAADRP CNC(=O)C[NH2+]CCN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001267071494 775198367 /nfs/dbraw/zinc/19/83/67/775198367.db2.gz HOGAZUZXIVSVCJ-SNVBAGLBSA-N 2 0 256.350 -1.268 20 0 CAADRP CNC(=O)C[NH2+]CCN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001267071492 775198731 /nfs/dbraw/zinc/19/87/31/775198731.db2.gz HOGAZUZXIVSVCJ-JTQLQIEISA-N 2 0 256.350 -1.268 20 0 CAADRP N[C@@H](CC[NH3+])C(=O)N1CCO[C@@H](C[NH+]2CCCC2)C1 ZINC001161389211 775201548 /nfs/dbraw/zinc/20/15/48/775201548.db2.gz PGCOGFSDIUNPFF-RYUDHWBXSA-N 2 0 270.377 -1.014 20 0 CAADRP C[C@@H]1[C@H](C(=O)N(C)CC[NH2+]CC(N)=O)CC[N@@H+]1C ZINC001267374611 775235913 /nfs/dbraw/zinc/23/59/13/775235913.db2.gz HDDPWPRXRXSSOD-NXEZZACHSA-N 2 0 256.350 -1.140 20 0 CAADRP CNC(=O)C[NH2+]CCN(CCO)C(=O)[C@H]1CCC[N@@H+]1C ZINC001279672160 775240901 /nfs/dbraw/zinc/24/09/01/775240901.db2.gz FACUPROBQPZTGR-LLVKDONJSA-N 2 0 286.376 -1.763 20 0 CAADRP COC[C@@H](O)C[NH2+]CCN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001267470442 775248777 /nfs/dbraw/zinc/24/87/77/775248777.db2.gz XBLLEWZEYXAEFL-RYUDHWBXSA-N 2 0 273.377 -1.007 20 0 CAADRP C[C@@H](C[NH+]1CCOCC1)C(=O)N(C)CC[NH2+]CCO ZINC001267469586 775249248 /nfs/dbraw/zinc/24/92/48/775249248.db2.gz QXPNDXNWKNWXAR-LBPRGKRZSA-N 2 0 273.377 -1.005 20 0 CAADRP C[NH+](C)CCN(C(=O)[C@H]1[NH2+]CC[C@H]1O)[C@@H]1CCC[NH2+]C1 ZINC001161448503 775284422 /nfs/dbraw/zinc/28/44/22/775284422.db2.gz DGOWOADUQPHRRL-UPJWGTAASA-N 3 0 284.404 -1.149 20 0 CAADRP O=C(NC[C@]1(O)CC[NH2+]C[C@@H]1F)[C@@]12C[C@@H]1CC[NH2+]2 ZINC001219621479 775290078 /nfs/dbraw/zinc/29/00/78/775290078.db2.gz ABRJFRZLLGBLLJ-GAIPPQHRSA-N 2 0 257.309 -1.083 20 0 CAADRP O=C(NCC[C@H]1CCOC12C[NH2+]C2)[C@H]1C[C@@H](O)C[NH2+]1 ZINC001219800218 775291447 /nfs/dbraw/zinc/29/14/47/775291447.db2.gz HXXKHGYRJWTWQU-HBNTYKKESA-N 2 0 269.345 -1.406 20 0 CAADRP CC(=O)OC[C@H]([NH3+])C(=O)NC[C@]12C[NH2+]C[C@H]1COC2 ZINC001219812379 775291825 /nfs/dbraw/zinc/29/18/25/775291825.db2.gz AAJXFNOWYJNELN-NHCYSSNCSA-N 2 0 271.317 -1.771 20 0 CAADRP [NH3+]CC1(NC(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)COC1 ZINC001220154283 775293844 /nfs/dbraw/zinc/29/38/44/775293844.db2.gz QDKYUZIQYXNMKW-BXKDBHETSA-N 3 0 254.334 -1.971 20 0 CAADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)NC[C@H]1C[C@@H](O)C1 ZINC001220191885 775294945 /nfs/dbraw/zinc/29/49/45/775294945.db2.gz RZIAYPFFNJGOMG-WCQGTBRESA-N 2 0 270.377 -1.376 20 0 CAADRP COC(=O)[C@]12CC[NH2+][C@H]1CN(C(=O)[C@@]1(N)CC[NH2+]C1)CC2 ZINC001161476446 775298803 /nfs/dbraw/zinc/29/88/03/775298803.db2.gz AWFGPIBSTIVXNX-LEWSCRJBSA-N 2 0 296.371 -1.569 20 0 CAADRP CS(=O)(=O)N(CC[NH3+])CC(=O)N[C@H]1CCC[NH2+]C1 ZINC001220887006 775299290 /nfs/dbraw/zinc/29/92/90/775299290.db2.gz RILXNRPFHCMFRU-VIFPVBQESA-N 2 0 278.378 -1.925 20 0 CAADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)NCCc1nncs1 ZINC001221015490 775299333 /nfs/dbraw/zinc/29/93/33/775299333.db2.gz JISDQUGQYNNWAY-SNVBAGLBSA-N 2 0 298.416 -1.053 20 0 CAADRP O=C(N[C@H]1CCC[NH2+]C1)[C@H]1NC(=O)CC12C[NH2+]C2 ZINC001220884527 775299397 /nfs/dbraw/zinc/29/93/97/775299397.db2.gz GBSAQUPANFJQQG-WCBMZHEXSA-N 2 0 252.318 -1.667 20 0 CAADRP O=C(N[C@@H]1CCC[NH2+]C1)[C@H]1COC2(C[NH2+]C2)CN1 ZINC001220884671 775299741 /nfs/dbraw/zinc/29/97/41/775299741.db2.gz KMAVKUQSVCFLKU-NXEZZACHSA-N 2 0 254.334 -1.815 20 0 CAADRP O=C(N[C@H]1CCC[NH2+]C1)[C@@H]1COC2(C[NH2+]C2)CN1 ZINC001220884672 775299776 /nfs/dbraw/zinc/29/97/76/775299776.db2.gz KMAVKUQSVCFLKU-UWVGGRQHSA-N 2 0 254.334 -1.815 20 0 CAADRP C[C@@]1(C[NH3+])CCCN(C(=O)[C@H]2COC3(C[NH2+]C3)CN2)C1 ZINC001161488231 775308369 /nfs/dbraw/zinc/30/83/69/775308369.db2.gz BFDLWBYCIKKUPT-YPMHNXCESA-N 2 0 282.388 -1.096 20 0 CAADRP C[N@H+](C1CN(C(=O)[C@H]2C[NH2+]C[C@@H]2O)C1)[C@H]1CCOC1 ZINC001161497765 775318018 /nfs/dbraw/zinc/31/80/18/775318018.db2.gz DGGICGJJCOTFID-DLOVCJGASA-N 2 0 269.345 -1.502 20 0 CAADRP C[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C)C[NH2+]CC(N)=O ZINC001267982536 775322809 /nfs/dbraw/zinc/32/28/09/775322809.db2.gz WFBJXSLIDYCHIU-NXEZZACHSA-N 2 0 256.350 -1.092 20 0 CAADRP C[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)C[NH2+]CC(N)=O ZINC001268013889 775330167 /nfs/dbraw/zinc/33/01/67/775330167.db2.gz HAAMCVIXWGRNJZ-UWVGGRQHSA-N 2 0 256.350 -1.235 20 0 CAADRP C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)C[NH2+]CC(N)=O ZINC001268013888 775330202 /nfs/dbraw/zinc/33/02/02/775330202.db2.gz HAAMCVIXWGRNJZ-NXEZZACHSA-N 2 0 256.350 -1.235 20 0 CAADRP C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)C[NH2+]CC(N)=O ZINC001268013890 775331272 /nfs/dbraw/zinc/33/12/72/775331272.db2.gz HAAMCVIXWGRNJZ-VHSXEESVSA-N 2 0 256.350 -1.235 20 0 CAADRP C[S@](=O)CC[C@H]([NH3+])C(=O)N1C[C@H]([NH3+])C2(COC2)C1 ZINC001161508213 775349833 /nfs/dbraw/zinc/34/98/33/775349833.db2.gz CAYRJZJYCHCMCV-ZMFHDSSTSA-N 2 0 275.374 -1.732 20 0 CAADRP C[S@](=O)CC[C@H]([NH3+])C(=O)N1C[C@@H]([NH3+])C2(COC2)C1 ZINC001161508209 775350278 /nfs/dbraw/zinc/35/02/78/775350278.db2.gz CAYRJZJYCHCMCV-ROXHKKKXSA-N 2 0 275.374 -1.732 20 0 CAADRP C[S@@](=O)CC[C@H]([NH3+])C(=O)N1C[C@H]([NH3+])C2(COC2)C1 ZINC001161508211 775350483 /nfs/dbraw/zinc/35/04/83/775350483.db2.gz CAYRJZJYCHCMCV-VXAXSWHGSA-N 2 0 275.374 -1.732 20 0 CAADRP CC[C@H](C)[C@H]([NH3+])C(=O)NCC(=O)N1C[C@@H]([NH3+])C2(COC2)C1 ZINC001161510819 775351301 /nfs/dbraw/zinc/35/13/01/775351301.db2.gz SAAASAHZSARDTQ-UMNHJUIQSA-N 2 0 298.387 -1.338 20 0 CAADRP C[NH+]1CC2(CN(C(=O)[C@H]3C[NH2+]CC34C[NH2+]C4)C2)C1 ZINC001161532618 775357694 /nfs/dbraw/zinc/35/76/94/775357694.db2.gz VSPZRDZLMKZEGG-SNVBAGLBSA-N 3 0 250.346 -1.431 20 0 CAADRP C[NH+]1CCN(c2cc(-n3nnc(CC[NH3+])n3)ncn2)CC1 ZINC001167790723 775362748 /nfs/dbraw/zinc/36/27/48/775362748.db2.gz DCAHUELYGUXNHM-UHFFFAOYSA-N 2 0 289.347 -1.295 20 0 CAADRP [NH3+]CCc1nnn(-c2ccnc(N3CCC([NH3+])CC3)n2)n1 ZINC001167791455 775365168 /nfs/dbraw/zinc/36/51/68/775365168.db2.gz MMHROQUAENJJRM-UHFFFAOYSA-N 2 0 289.347 -1.119 20 0 CAADRP O=C(NC[C@@H](O)C[NH2+]CCO)[C@@H]1C[NH+]2CCC1CC2 ZINC001268308582 775395823 /nfs/dbraw/zinc/39/58/23/775395823.db2.gz QKMDUNDDRZBWIV-NWDGAFQWSA-N 2 0 271.361 -1.613 20 0 CAADRP O=C(NC[C@@H](O)C[NH2+]CCO)[C@H]1C[NH+]2CCC1CC2 ZINC001268308583 775396821 /nfs/dbraw/zinc/39/68/21/775396821.db2.gz QKMDUNDDRZBWIV-RYUDHWBXSA-N 2 0 271.361 -1.613 20 0 CAADRP CC(C)(C(=O)NC[C@H](O)C[NH2+]CCO)[NH+]1CCCC1 ZINC001268316150 775400129 /nfs/dbraw/zinc/40/01/29/775400129.db2.gz IDFVVBZAWGRRDZ-LLVKDONJSA-N 2 0 273.377 -1.080 20 0 CAADRP C[N@@H+]1CC[C@@H](C(=O)NC[C@H](O)C[NH2+]CCCO)C1 ZINC001268335760 775408432 /nfs/dbraw/zinc/40/84/32/775408432.db2.gz OZVGFLALASIDEY-GHMZBOCLSA-N 2 0 259.350 -1.613 20 0 CAADRP COC(=O)[C@H]1CN(C)CCN1C(=O)[C@@H]1C[NH2+]CCN1 ZINC001161237780 775412532 /nfs/dbraw/zinc/41/25/32/775412532.db2.gz OIGICBVDXZOXAP-VHSXEESVSA-N 2 0 270.333 -2.137 20 0 CAADRP COC(=O)[C@@H]1CN(C)CCN1C(=O)[C@@H]1C[NH2+]CCN1 ZINC001161237778 775412773 /nfs/dbraw/zinc/41/27/73/775412773.db2.gz OIGICBVDXZOXAP-UWVGGRQHSA-N 2 0 270.333 -2.137 20 0 CAADRP [NH3+]C[C@]1(F)CCN(C(=O)[C@]23C[NH2+]C[C@H]2CCN3)C1 ZINC001161239447 775415373 /nfs/dbraw/zinc/41/53/73/775415373.db2.gz LTOSQSBMTNEXLM-JLLWLGSASA-N 2 0 256.325 -1.163 20 0 CAADRP [NH3+]C[C@]1(F)CCN(C(=O)[C@@]23C[NH2+]C[C@@H]2CCN3)C1 ZINC001161239448 775415835 /nfs/dbraw/zinc/41/58/35/775415835.db2.gz LTOSQSBMTNEXLM-MVWJERBFSA-N 2 0 256.325 -1.163 20 0 CAADRP [NH3+]C[C@]1(F)CCN(C(=O)[C@]23C[NH2+]C[C@@H]2CCN3)C1 ZINC001161239449 775416072 /nfs/dbraw/zinc/41/60/72/775416072.db2.gz LTOSQSBMTNEXLM-WCQGTBRESA-N 2 0 256.325 -1.163 20 0 CAADRP C[N@@H+]1CC[C@@H](C(=O)NC2CN(CCOCCO)C2)C1 ZINC001268485280 775421440 /nfs/dbraw/zinc/42/14/40/775421440.db2.gz PWZYVTQCUWHINQ-LLVKDONJSA-N 2 0 271.361 -1.253 20 0 CAADRP C[N@@H+]1CC[C@H](C(=O)NC2CN(CCOCCO)C2)C1 ZINC001268485284 775422802 /nfs/dbraw/zinc/42/28/02/775422802.db2.gz PWZYVTQCUWHINQ-NSHDSACASA-N 2 0 271.361 -1.253 20 0 CAADRP CN(CC(=O)N1CC2(CN(CC[NH+](C)C)C2)C1)C(N)=[NH2+] 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C[C@H]([NH3+])[C@H]1CN(CC(=O)N2CC[NH2+]CC2)CCO1 ZINC001118260735 776282469 /nfs/dbraw/zinc/28/24/69/776282469.db2.gz HFHLLQYKCLUFGO-WDEREUQCSA-N 2 0 256.350 -1.534 20 0 CAADRP COCC[NH2+]CCNC(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC001118482617 776320803 /nfs/dbraw/zinc/32/08/03/776320803.db2.gz POSWNIRZOFBQAN-UHFFFAOYSA-N 2 0 298.347 -1.324 20 0 CAADRP C[C@@H]([NH3+])CNC(=O)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC001118486189 776322337 /nfs/dbraw/zinc/32/23/37/776322337.db2.gz LFVSSVPYPSEVHU-PWSUYJOCSA-N 2 0 298.387 -1.181 20 0 CAADRP CON(C)C(=O)[C@@H](C)[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC001118959474 776418402 /nfs/dbraw/zinc/41/84/02/776418402.db2.gz KTCDCZDSXMRTSI-NEPJUHHUSA-N 2 0 288.392 -1.407 20 0 CAADRP CON(C)C(=O)[C@@H](C)[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC001118959478 776418958 /nfs/dbraw/zinc/41/89/58/776418958.db2.gz KTCDCZDSXMRTSI-VXGBXAGGSA-N 2 0 288.392 -1.407 20 0 CAADRP C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1[NH2+]CC(N)=O ZINC001082919872 776424992 /nfs/dbraw/zinc/42/49/92/776424992.db2.gz IPASKLLVXPMBLF-GMTAPVOTSA-N 2 0 268.361 -1.140 20 0 CAADRP CO[C@@H](C[NH3+])C(=O)NCCC[NH+]1CCC(O)CC1 ZINC001119296740 776428401 /nfs/dbraw/zinc/42/84/01/776428401.db2.gz BLYCDSGVAMKRKX-NSHDSACASA-N 2 0 259.350 -1.077 20 0 CAADRP C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2C[NH+](CCCO)C[C@@H]2O)C1 ZINC001083955080 776437325 /nfs/dbraw/zinc/43/73/25/776437325.db2.gz VWOMKZUQODURLS-UPJWGTAASA-N 2 0 285.388 -1.128 20 0 CAADRP C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2C[NH+](CCO)C[C@@H]2O)C1 ZINC001083955140 776437466 /nfs/dbraw/zinc/43/74/66/776437466.db2.gz YFCJJEMXLOMOFM-UTUOFQBUSA-N 2 0 271.361 -1.518 20 0 CAADRP O=C(N[C@@H]1C[N@H+](CCCO)C[C@@H]1O)C12CC[NH+](CC1)C2 ZINC001083957522 776439500 /nfs/dbraw/zinc/43/95/00/776439500.db2.gz CRMHSHCGYWMXPV-NEPJUHHUSA-N 2 0 283.372 -1.374 20 0 CAADRP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](CCCO)C[C@@H]2O)C1 ZINC001084054123 776444332 /nfs/dbraw/zinc/44/43/32/776444332.db2.gz XFQBXGUZHFHGMA-TUAOUCFPSA-N 2 0 271.361 -1.518 20 0 CAADRP C[NH+](C)C1(C(=O)N[C@H]2CCN(CC(N)=O)C[C@H]2O)CCC1 ZINC001099871691 776465613 /nfs/dbraw/zinc/46/56/13/776465613.db2.gz JGUYKBCHXSGAGO-WDEREUQCSA-N 2 0 298.387 -1.493 20 0 CAADRP CCN(CC[NH2+]CC(=O)NC(N)=O)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001273298554 776476589 /nfs/dbraw/zinc/47/65/89/776476589.db2.gz SMVHGQNBLNQXJW-JTQLQIEISA-N 2 0 299.375 -1.286 20 0 CAADRP C[NH+](C)CCCC(=O)N[C@@H]1CC[N@H+](CCO)C[C@H]1O ZINC001099974188 776483507 /nfs/dbraw/zinc/48/35/07/776483507.db2.gz ODUGGNIZGCURPS-VXGBXAGGSA-N 2 0 273.377 -1.128 20 0 CAADRP C[C@]1(C[NH3+])CCN(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000827177480 776484163 /nfs/dbraw/zinc/48/41/63/776484163.db2.gz VQVSHUDYGSZQGG-SNVBAGLBSA-N 2 0 262.379 -1.193 20 0 CAADRP C[C@@]1(C[NH3+])CCN(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000827177472 776484206 /nfs/dbraw/zinc/48/42/06/776484206.db2.gz VQVSHUDYGSZQGG-JTQLQIEISA-N 2 0 262.379 -1.193 20 0 CAADRP C[N@@H+]1CC[C@@H](C(=O)NC[C@H]2C[C@@H]([NH2+]CC(N)=O)C2)C1 ZINC001086271813 776505282 /nfs/dbraw/zinc/50/52/82/776505282.db2.gz LTGIOMOHOHSETF-MXWKQRLJSA-N 2 0 268.361 -1.092 20 0 CAADRP C[C@H]([NH2+]CCCNC(=O)[C@@H]1CN(C)CCO1)C(N)=O ZINC001156125921 776512986 /nfs/dbraw/zinc/51/29/86/776512986.db2.gz QJMVORKJGFKCHJ-UWVGGRQHSA-N 2 0 272.349 -1.713 20 0 CAADRP CN1CC[C@@H]([NH2+]CCCNC(=O)[C@@H]2CN(C)CCO2)C1=O ZINC001156124917 776513067 /nfs/dbraw/zinc/51/30/67/776513067.db2.gz BPGCFUCNWVRFJZ-NEPJUHHUSA-N 2 0 298.387 -1.356 20 0 CAADRP CN1CCO[C@@H](C(=O)NCCC[NH2+][C@@H]2CCNC2=O)C1 ZINC001156146362 776513308 /nfs/dbraw/zinc/51/33/08/776513308.db2.gz WZAHBDFGSLQHNP-GHMZBOCLSA-N 2 0 284.360 -1.699 20 0 CAADRP CN1CCO[C@H](C(=O)NCCC[NH2+][C@H]2CCNC2=O)C1 ZINC001156146364 776513400 /nfs/dbraw/zinc/51/34/00/776513400.db2.gz WZAHBDFGSLQHNP-QWRGUYRKSA-N 2 0 284.360 -1.699 20 0 CAADRP CN1CCO[C@@H](C(=O)NCCC[NH2+][C@@H]2CCCNC2=O)C1 ZINC001156145519 776513736 /nfs/dbraw/zinc/51/37/36/776513736.db2.gz MOZWHBLCYYXHJP-VXGBXAGGSA-N 2 0 298.387 -1.309 20 0 CAADRP CNC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@@H]1CN(C)CCO1 ZINC001156152090 776513829 /nfs/dbraw/zinc/51/38/29/776513829.db2.gz CJCIQTZBRHCUCZ-MNOVXSKESA-N 2 0 286.376 -1.453 20 0 CAADRP [NH3+]Cc1nnnn1-c1nccnc1N1CC[NH2+]CC1 ZINC001168918231 776517981 /nfs/dbraw/zinc/51/79/81/776517981.db2.gz SJEVVGAIHGFUMZ-UHFFFAOYSA-N 2 0 261.293 -1.679 20 0 CAADRP [NH3+]Cc1cnnn1-c1ccnc(N2CC[NH2+]CC2)n1 ZINC001169303743 776524719 /nfs/dbraw/zinc/52/47/19/776524719.db2.gz GCPLNJUFUPVSMM-UHFFFAOYSA-N 2 0 260.305 -1.074 20 0 CAADRP CNC(=O)C[NH2+]CCNC(=O)C1([NH+](C)C)CCC1 ZINC001129351039 776539089 /nfs/dbraw/zinc/53/90/89/776539089.db2.gz IRAAYSKGUMZTDX-UHFFFAOYSA-N 2 0 256.350 -1.078 20 0 CAADRP C[NH+](C)C1(C(=O)NCC[NH2+][C@@H]2CCC(=O)NC2=O)CCC1 ZINC001129358545 776540628 /nfs/dbraw/zinc/54/06/28/776540628.db2.gz UDMCRZXPOIQSOE-SNVBAGLBSA-N 2 0 296.371 -1.018 20 0 CAADRP C[NH+](C)C1(C(=O)NCC[NH2+][C@H]2CCC(=O)NC2=O)CCC1 ZINC001129358541 776540663 /nfs/dbraw/zinc/54/06/63/776540663.db2.gz UDMCRZXPOIQSOE-JTQLQIEISA-N 2 0 296.371 -1.018 20 0 CAADRP C[C@H]([NH2+]CCNC(=O)C1([NH+](C)C)CCC1)C(=O)NC(N)=O ZINC001129364112 776540846 /nfs/dbraw/zinc/54/08/46/776540846.db2.gz PGCGFFPYQQRBCZ-VIFPVBQESA-N 2 0 299.375 -1.240 20 0 CAADRP C[C@H]([NH2+]CCNC(=O)[C@H](Cn1cccn1)N(C)C)C(N)=O ZINC001129384996 776548864 /nfs/dbraw/zinc/54/88/64/776548864.db2.gz BXRXBFFFWXLHRE-QWRGUYRKSA-N 2 0 296.375 -1.607 20 0 CAADRP CN(C)[C@H](Cn1cccn1)C(=O)NCC[NH2+]CCCO ZINC001129386423 776549071 /nfs/dbraw/zinc/54/90/71/776549071.db2.gz KSZYSSDLCSSAFN-GFCCVEGCSA-N 2 0 283.376 -1.099 20 0 CAADRP C[C@@H]([NH2+]CCNC(=O)[C@@H](Cn1cccn1)N(C)C)C(N)=O ZINC001129384988 776549204 /nfs/dbraw/zinc/54/92/04/776549204.db2.gz BXRXBFFFWXLHRE-GHMZBOCLSA-N 2 0 296.375 -1.607 20 0 CAADRP C[C@@H](O)C[NH2+]CCNC(=O)[C@@H](Cn1cccn1)N(C)C ZINC001129384970 776549368 /nfs/dbraw/zinc/54/93/68/776549368.db2.gz BHFZWZLHDDSVDH-VXGBXAGGSA-N 2 0 283.376 -1.100 20 0 CAADRP CC(C)[N@H+](C)CC(=O)N[C@H]1CC[NH+](CCO)C[C@@H]1O ZINC001100132505 776552107 /nfs/dbraw/zinc/55/21/07/776552107.db2.gz UYUHOZYPSSDPAT-RYUDHWBXSA-N 2 0 273.377 -1.130 20 0 CAADRP [NH3+]CC(=O)NCC(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000062973178 776554119 /nfs/dbraw/zinc/55/41/19/776554119.db2.gz GAXAFOIJSOQKMB-JTQLQIEISA-N 2 0 254.334 -1.242 20 0 CAADRP C[N@@H+]1CC[C@H](C(=O)NC[C@H]2C[C@H]([NH2+]CC(N)=O)C2)C1 ZINC001086550526 776563734 /nfs/dbraw/zinc/56/37/34/776563734.db2.gz LTGIOMOHOHSETF-DCAQKATOSA-N 2 0 268.361 -1.092 20 0 CAADRP CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H]1C[NH2+]CC[C@@H]1O ZINC001157323464 776572335 /nfs/dbraw/zinc/57/23/35/776572335.db2.gz RDHACKYIBHUEEZ-DCAQKATOSA-N 2 0 286.376 -1.683 20 0 CAADRP CCOC(=O)CC1([NH3+])CCN(C(=O)[C@H]2C[NH2+]C[C@H]2O)CC1 ZINC001157448881 776576744 /nfs/dbraw/zinc/57/67/44/776576744.db2.gz NRCQOQDICLWIOZ-WDEREUQCSA-N 2 0 299.371 -1.160 20 0 CAADRP [NH3+]CCC[C@@H]([NH3+])C(=O)N1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC001157496369 776580780 /nfs/dbraw/zinc/58/07/80/776580780.db2.gz CSGFKPXYLZTNLX-VXGBXAGGSA-N 2 0 298.387 -1.098 20 0 CAADRP [NH3+][C@H]1CN(C(=O)[C@H]2CCS(=O)(=O)C23C[NH2+]C3)C[C@H]1F ZINC001157535581 776585186 /nfs/dbraw/zinc/58/51/86/776585186.db2.gz CGJZZTGQJDETIY-HLTSFMKQSA-N 2 0 291.348 -1.729 20 0 CAADRP [NH3+][C@H]1CN(C(=O)[C@H]2CNC(=O)C23CC[NH2+]CC3)C[C@H]1F ZINC001157536705 776585546 /nfs/dbraw/zinc/58/55/46/776585546.db2.gz ONZFWYDHBDQBTO-BBBLOLIVSA-N 2 0 284.335 -1.390 20 0 CAADRP C[N@@H+]1C[C@H](C(=O)N2CC(C)([NH3+])C2)OC2(CC[NH2+]CC2)C1 ZINC001157632477 776589745 /nfs/dbraw/zinc/58/97/45/776589745.db2.gz CGBQTYBDOABQCQ-LLVKDONJSA-N 2 0 282.388 -1.001 20 0 CAADRP CC1([NH3+])CN(C(=O)[C@@H]2CCS(=O)(=O)C23C[NH2+]C3)C1 ZINC001157633648 776589913 /nfs/dbraw/zinc/58/99/13/776589913.db2.gz NXAZLRHYTTYHAN-QMMMGPOBSA-N 2 0 273.358 -1.677 20 0 CAADRP C[N@@H+]1C[C@@H](C(=O)N2CC(C)([NH3+])C2)OC2(CC[NH2+]CC2)C1 ZINC001157632486 776590707 /nfs/dbraw/zinc/59/07/07/776590707.db2.gz CGBQTYBDOABQCQ-NSHDSACASA-N 2 0 282.388 -1.001 20 0 CAADRP CC1([NH3+])CN(C(=O)CN(CC[NH3+])S(C)(=O)=O)C1 ZINC001157643571 776591747 /nfs/dbraw/zinc/59/17/47/776591747.db2.gz BMOCQQDEVRTNSV-UHFFFAOYSA-N 2 0 264.351 -2.234 20 0 CAADRP O=C([C@@H]1C[NH2+]CC12C[NH2+]C2)N1C[C@H](F)C[C@@H](CO)C1 ZINC001157729672 776600359 /nfs/dbraw/zinc/60/03/59/776600359.db2.gz GIFFMGDNUKHKLI-MXWKQRLJSA-N 2 0 271.336 -1.026 20 0 CAADRP [NH3+]CC(=O)NCC(=O)N1CCC[C@@](F)(C[NH3+])CC1 ZINC001157739832 776604114 /nfs/dbraw/zinc/60/41/14/776604114.db2.gz KENBWXHLNVIOPS-NSHDSACASA-N 2 0 260.313 -1.259 20 0 CAADRP C[C@@H]1CCN(C(=O)[C@@H]([NH3+])CCCNC(N)=O)C[C@@H]1[NH3+] ZINC001157799016 776613807 /nfs/dbraw/zinc/61/38/07/776613807.db2.gz JDIIUKCAHOUOKQ-UTLUCORTSA-N 2 0 271.365 -1.042 20 0 CAADRP C[C@@H]([NH2+]CCNC(=O)[C@H](C1CC1)[NH+](C)C)C(=O)NC(N)=O ZINC001129448623 776620648 /nfs/dbraw/zinc/62/06/48/776620648.db2.gz DDCVMGATUJRWQV-SCZZXKLOSA-N 2 0 299.375 -1.384 20 0 CAADRP C[N@H+](CC(=O)NCC[NH2+][C@@H]1CCC(=O)NC1=O)C1CCC1 ZINC001129531580 776620678 /nfs/dbraw/zinc/62/06/78/776620678.db2.gz AELVCHMNEQPDPF-LLVKDONJSA-N 2 0 296.371 -1.018 20 0 CAADRP CNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001129435554 776620765 /nfs/dbraw/zinc/62/07/65/776620765.db2.gz HIRBJEMDNYKMGJ-NSHDSACASA-N 2 0 299.375 -1.512 20 0 CAADRP C[C@@H]([NH2+]CCNC(=O)[C@@H](C1CC1)[NH+](C)C)C(N)=O ZINC001129435099 776621133 /nfs/dbraw/zinc/62/11/33/776621133.db2.gz ARCPIYWBJMGBFU-PSASIEDQSA-N 2 0 256.350 -1.094 20 0 CAADRP C[C@H]([NH2+]CCNC(=O)[C@@H](C1CC1)[NH+](C)C)C(N)=O ZINC001129435104 776621284 /nfs/dbraw/zinc/62/12/84/776621284.db2.gz ARCPIYWBJMGBFU-WCBMZHEXSA-N 2 0 256.350 -1.094 20 0 CAADRP C[NH+](C)[C@@H](C(=O)NCC[NH2+][C@@H]1CCC(=O)NC1=O)C1CC1 ZINC001129435786 776621423 /nfs/dbraw/zinc/62/14/23/776621423.db2.gz IXZRGASGRCHVMS-ZYHUDNBSSA-N 2 0 296.371 -1.162 20 0 CAADRP C[C@@H]([NH2+]CCNC(=O)C[N@H+](C)C1CCC1)C(=O)NC(N)=O ZINC001129535529 776623332 /nfs/dbraw/zinc/62/33/32/776623332.db2.gz WCWKSKMGCPRAGR-SECBINFHSA-N 2 0 299.375 -1.240 20 0 CAADRP C[N@@H+]1CCC[C@H]1CCC(=O)NCC[NH2+]CC(=O)NC(N)=O ZINC001129841228 776629254 /nfs/dbraw/zinc/62/92/54/776629254.db2.gz NFROZKCCFQDAGL-JTQLQIEISA-N 2 0 299.375 -1.239 20 0 CAADRP CC(C)[C@@H](C(=O)NCC[NH2+]CC(=O)NC(N)=O)[NH+](C)C ZINC001129947185 776636483 /nfs/dbraw/zinc/63/64/83/776636483.db2.gz NIXKGOWOSSLQNL-JTQLQIEISA-N 2 0 287.364 -1.527 20 0 CAADRP CC[C@H](C(=O)NCC[NH2+][C@H]1CCC(=O)NC1=O)[NH+](C)C ZINC001130203711 776646676 /nfs/dbraw/zinc/64/66/76/776646676.db2.gz UMRQCCIULYADFQ-VHSXEESVSA-N 2 0 284.360 -1.162 20 0 CAADRP C[N@@H+]1CCCC[C@H]1C(=O)NCC[NH2+]CC(=O)NC(N)=O ZINC001130297766 776647856 /nfs/dbraw/zinc/64/78/56/776647856.db2.gz QVNLNJLDDVMUBQ-VIFPVBQESA-N 2 0 285.348 -1.629 20 0 CAADRP [NH3+]CCSC[C@H]([NH3+])C(=O)N1CC[C@@H](O)[C@@H](CO)C1 ZINC001157934612 776648129 /nfs/dbraw/zinc/64/81/29/776648129.db2.gz MPSXVPODBGRXDM-KXUCPTDWSA-N 2 0 277.390 -1.793 20 0 CAADRP O=C([C@@H]1C[NH2+]CC12C[NH2+]C2)N1CC[C@H](O)[C@@H](CO)C1 ZINC001157935352 776648830 /nfs/dbraw/zinc/64/88/30/776648830.db2.gz ULGWPPMVGMUZLT-VWYCJHECSA-N 2 0 269.345 -2.003 20 0 CAADRP O=C([C@@H]1C[NH2+]CC12C[NH2+]C2)N1CC[C@@H](O)[C@@H](CO)C1 ZINC001157935351 776648896 /nfs/dbraw/zinc/64/88/96/776648896.db2.gz ULGWPPMVGMUZLT-OUAUKWLOSA-N 2 0 269.345 -2.003 20 0 CAADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N1CC[C@H](O)[C@@H](CO)C1 ZINC001157934463 776649232 /nfs/dbraw/zinc/64/92/32/776649232.db2.gz KHOWOQZCORBPPZ-WOPDTQHZSA-N 2 0 273.377 -1.095 20 0 CAADRP C[N@@H+]1CCCC[C@@H]1C(=O)NCC[NH2+]CC(=O)NC(N)=O ZINC001130297765 776649266 /nfs/dbraw/zinc/64/92/66/776649266.db2.gz QVNLNJLDDVMUBQ-SECBINFHSA-N 2 0 285.348 -1.629 20 0 CAADRP C[C@]1(CO)CCN(C(=O)[C@H]([NH3+])C2CC[NH2+]CC2)C[C@H]1O ZINC001157944213 776650260 /nfs/dbraw/zinc/65/02/60/776650260.db2.gz IQKGXSDTQZECMN-YRGRVCCFSA-N 2 0 285.388 -1.095 20 0 CAADRP CC[N@H+](C)C(C)(C)C(=O)NCC[NH2+]CC(=O)NC(N)=O ZINC001130419151 776656209 /nfs/dbraw/zinc/65/62/09/776656209.db2.gz MWZDUAGDJQOLJT-UHFFFAOYSA-N 2 0 287.364 -1.383 20 0 CAADRP N[C@@]1(C(=O)N2CC(=O)NC[C@@]23CC[NH2+]C3)CCC[NH2+]C1 ZINC001158102244 776673561 /nfs/dbraw/zinc/67/35/61/776673561.db2.gz PYKRNBCPBNIFKS-STQMWFEESA-N 2 0 281.360 -2.242 20 0 CAADRP N[C@]1(C(=O)N2CC(=O)NC[C@]23CC[NH2+]C3)CCC[NH2+]C1 ZINC001158102241 776673886 /nfs/dbraw/zinc/67/38/86/776673886.db2.gz PYKRNBCPBNIFKS-CHWSQXEVSA-N 2 0 281.360 -2.242 20 0 CAADRP O=C([C@@H]1C[NH2+]CC12C[NH2+]C2)N1CC(=O)NC[C@]12CC[NH2+]C2 ZINC001158093968 776674119 /nfs/dbraw/zinc/67/41/19/776674119.db2.gz ZCLSAPGXLXVCNZ-IINYFYTJSA-N 3 0 293.371 -2.514 20 0 CAADRP N[C@@]1(C(=O)N2CC(=O)NC[C@]23CC[NH2+]C3)CCC[NH2+]C1 ZINC001158102242 776674178 /nfs/dbraw/zinc/67/41/78/776674178.db2.gz PYKRNBCPBNIFKS-OLZOCXBDSA-N 2 0 281.360 -2.242 20 0 CAADRP [NH3+][C@H]1CC[C@@H]1C(=O)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1 ZINC001158121919 776675313 /nfs/dbraw/zinc/67/53/13/776675313.db2.gz YKLNOUBHFVKLFR-PKFCDNJMSA-N 2 0 278.356 -1.338 20 0 CAADRP NC(=O)NC(=O)C[NH2+]CCNC(=O)C12CCC[NH+]1CCC2 ZINC001130805667 776676190 /nfs/dbraw/zinc/67/61/90/776676190.db2.gz HMNHMABUPCBSIL-UHFFFAOYSA-N 2 0 297.359 -1.485 20 0 CAADRP O=C([C@@H]1C[NH2+]CCN1)N1CCO[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001158179348 776680823 /nfs/dbraw/zinc/68/08/23/776680823.db2.gz KORJHTZCUXLCPG-OUAUKWLOSA-N 2 0 254.334 -2.005 20 0 CAADRP CNC(=O)C[NH2+]CCNC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001131519941 776693366 /nfs/dbraw/zinc/69/33/66/776693366.db2.gz OOUHAHVPMSFOKV-CVZZAPKMSA-N 2 0 296.371 -1.699 20 0 CAADRP O=C(NCC[NH2+]CCO)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001131522199 776693407 /nfs/dbraw/zinc/69/34/07/776693407.db2.gz WLFSODSZBKKCPY-QWKFWESOSA-N 2 0 269.345 -1.452 20 0 CAADRP C[C@H]([NH2+]CCNC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1)C(N)=O ZINC001131520290 776693485 /nfs/dbraw/zinc/69/34/85/776693485.db2.gz WXKAXKOPKSHSJB-MMIJRFEOSA-N 2 0 296.371 -1.571 20 0 CAADRP CNC(=O)C[NH2+]CCNC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001131519942 776693506 /nfs/dbraw/zinc/69/35/06/776693506.db2.gz OOUHAHVPMSFOKV-IQLKVPPVSA-N 2 0 296.371 -1.699 20 0 CAADRP O=C(NCC[NH2+]CCCO)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001131521779 776693688 /nfs/dbraw/zinc/69/36/88/776693688.db2.gz HIRBXGGJCDBURR-MBHSVXNSSA-N 2 0 283.372 -1.062 20 0 CAADRP C[C@@H]([NH2+]CCNC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1)C(N)=O ZINC001131520289 776693991 /nfs/dbraw/zinc/69/39/91/776693991.db2.gz WXKAXKOPKSHSJB-ICYKSAPQSA-N 2 0 296.371 -1.571 20 0 CAADRP C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N1CCC[C@H]2[NH2+]C[C@@H]21 ZINC001158425001 776694766 /nfs/dbraw/zinc/69/47/66/776694766.db2.gz VJNRALMJYGQCKM-QEYWKRMJSA-N 2 0 270.333 -2.227 20 0 CAADRP O=C([C@@H]1COC2(C[NH2+]C2)CN1)N1CCC[C@H]2[NH2+]C[C@H]21 ZINC001158422821 776695191 /nfs/dbraw/zinc/69/51/91/776695191.db2.gz LVSMUVOJGPIZQS-OUAUKWLOSA-N 2 0 266.345 -1.720 20 0 CAADRP [NH3+][C@H]1CN[C@H](C(=O)N2CC[C@@]34C[NH2+]C[C@@H](C[C@@H]3C2)O4)C1 ZINC001158546792 776715538 /nfs/dbraw/zinc/71/55/38/776715538.db2.gz MBMHCCIVJWDRLC-MPLKPFFPSA-N 2 0 280.372 -1.345 20 0 CAADRP CNC(=O)C[NH2+]CCNC(=O)C1(C[NH+](C)C)CC1 ZINC001132993498 776755695 /nfs/dbraw/zinc/75/56/95/776755695.db2.gz WYUXLMZWLVRHFU-UHFFFAOYSA-N 2 0 256.350 -1.220 20 0 CAADRP CNC(=O)C[NH2+]CCNC(=O)[C@H]1C[N@@H+](C(C)C)CCO1 ZINC001132848852 776752283 /nfs/dbraw/zinc/75/22/83/776752283.db2.gz UHJULPOGYORCIX-LLVKDONJSA-N 2 0 286.376 -1.453 20 0 CAADRP CC(C)[N@@H+]1CCO[C@H](C(=O)NCC[NH2+][C@@H]2CCNC2=O)C1 ZINC001132858836 776752411 /nfs/dbraw/zinc/75/24/11/776752411.db2.gz LNPYPFWXFFRABT-NEPJUHHUSA-N 2 0 298.387 -1.310 20 0 CAADRP CC(C)[N@@H+]1CCO[C@H](C(=O)NCC[NH2+]CCO)C1 ZINC001132848945 776752684 /nfs/dbraw/zinc/75/26/84/776752684.db2.gz XDYKEJJQAFSUTQ-NSHDSACASA-N 2 0 259.350 -1.206 20 0 CAADRP C[NH+](C)CC1(C(=O)NCC[NH2+]CC(=O)NC(N)=O)CC1 ZINC001132993061 776755801 /nfs/dbraw/zinc/75/58/01/776755801.db2.gz LVNOKUSDWWMKHG-UHFFFAOYSA-N 2 0 285.348 -1.771 20 0 CAADRP C[C@H]([NH2+]CCNC(=O)C1(C[NH+](C)C)CC1)C(=O)NC(N)=O ZINC001132995195 776756143 /nfs/dbraw/zinc/75/61/43/776756143.db2.gz NMCGVPQVTYRPFM-VIFPVBQESA-N 2 0 299.375 -1.383 20 0 CAADRP C[NH+](C)CCCC(=O)NCC[NH2+][C@H]1CCC(=O)NC1=O ZINC001133043036 776757716 /nfs/dbraw/zinc/75/77/16/776757716.db2.gz PPPNLOIUFRSCQE-JTQLQIEISA-N 2 0 284.360 -1.161 20 0 CAADRP C[C@@H]([NH2+]CCNC(=O)CCC[NH+](C)C)C(=O)NC(N)=O ZINC001133051231 776757796 /nfs/dbraw/zinc/75/77/96/776757796.db2.gz BJBAKVRRZREEPQ-SECBINFHSA-N 2 0 287.364 -1.383 20 0 CAADRP CNC(=O)NC(=O)C[NH2+]CCNC(=O)CCC[NH+](C)C ZINC001133040257 776757973 /nfs/dbraw/zinc/75/79/73/776757973.db2.gz IEZQBUSXKTWASI-UHFFFAOYSA-N 2 0 287.364 -1.510 20 0 CAADRP Cn1nncc1C[NH2+]CCNC(=O)CC[NH+](C)C ZINC001133294387 776776128 /nfs/dbraw/zinc/77/61/28/776776128.db2.gz GYNYITHFCYTKBJ-UHFFFAOYSA-N 2 0 254.338 -1.027 20 0 CAADRP C[NH+](C)CCC(=O)NCC[NH2+]CCS(C)(=O)=O ZINC001133294820 776776398 /nfs/dbraw/zinc/77/63/98/776776398.db2.gz VWEZUMLOQJTIBM-UHFFFAOYSA-N 2 0 265.379 -1.312 20 0 CAADRP CNC(=O)C[NH2+]CCNC(=O)C[N@@H+]1CCC[C@H]1C ZINC001133823349 776789284 /nfs/dbraw/zinc/78/92/84/776789284.db2.gz CQSUNIMKKUCWIE-SNVBAGLBSA-N 2 0 256.350 -1.078 20 0 CAADRP C[C@H]1CC[N@H+](CC(=O)NCC[NH2+][C@@H]2CCNC2=O)C1 ZINC001133845759 776788814 /nfs/dbraw/zinc/78/88/14/776788814.db2.gz MRNJEJOGSDMTIL-WDEREUQCSA-N 2 0 268.361 -1.078 20 0 CAADRP C[C@H]([NH2+]CCNC(=O)C[N@@H+]1CCC[C@H]1C)C(=O)NC(N)=O ZINC001133833818 776789140 /nfs/dbraw/zinc/78/91/40/776789140.db2.gz GXQXEFLPHIXVKD-ZJUUUORDSA-N 2 0 299.375 -1.240 20 0 CAADRP C[C@H]1CCC[N@@H+]1CC(=O)NCC[NH2+]CC(=O)NC(N)=O ZINC001133819593 776789153 /nfs/dbraw/zinc/78/91/53/776789153.db2.gz IFEZWCURUOTYTC-VIFPVBQESA-N 2 0 285.348 -1.629 20 0 CAADRP C[C@@H]1CC[N@H+](CC(=O)NCC[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001133846265 776789317 /nfs/dbraw/zinc/78/93/17/776789317.db2.gz XNQNQOHGMQEBNC-MNOVXSKESA-N 2 0 296.371 -1.161 20 0 CAADRP C[C@H]1CCC[N@@H+]1CC(=O)NCC[NH2+][C@H]1CCC(=O)NC1=O ZINC001133819878 776789466 /nfs/dbraw/zinc/78/94/66/776789466.db2.gz QCAQUTCPQQSJQC-QWRGUYRKSA-N 2 0 296.371 -1.018 20 0 CAADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCC[NH2+]CCN1CCNC1=O ZINC001133863072 776789603 /nfs/dbraw/zinc/78/96/03/776789603.db2.gz JBWYDOIZMHOFAA-VXGBXAGGSA-N 2 0 297.403 -1.085 20 0 CAADRP C[C@H]([NH2+]CCNC(=O)C[N@@H+]1CCC[C@@H]1C)C(=O)NC(N)=O ZINC001133833816 776790220 /nfs/dbraw/zinc/79/02/20/776790220.db2.gz GXQXEFLPHIXVKD-UWVGGRQHSA-N 2 0 299.375 -1.240 20 0 CAADRP C[C@H]1CC[N@H+](CC(=O)NCC[NH2+][C@H]2CCNC2=O)C1 ZINC001133845758 776790281 /nfs/dbraw/zinc/79/02/81/776790281.db2.gz MRNJEJOGSDMTIL-QWRGUYRKSA-N 2 0 268.361 -1.078 20 0 CAADRP CNC(=O)C[NH2+]CCNC(=O)[C@H]1C[N@H+](C)C[C@H]1C ZINC001133863092 776790438 /nfs/dbraw/zinc/79/04/38/776790438.db2.gz JREJEFHHEIHQJF-ZJUUUORDSA-N 2 0 256.350 -1.364 20 0 CAADRP C[C@H]([NH2+]CCNC(=O)C[N@@H+]1CC[C@@H](C)C1)C(=O)NC(N)=O ZINC001133851039 776790466 /nfs/dbraw/zinc/79/04/66/776790466.db2.gz VHSJDUUIUUXDQI-ZJUUUORDSA-N 2 0 299.375 -1.383 20 0 CAADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCC[NH2+]CC(=O)N(C)C ZINC001133863548 776790605 /nfs/dbraw/zinc/79/06/05/776790605.db2.gz NWAKOMWBLQPVDV-WDEREUQCSA-N 2 0 270.377 -1.022 20 0 CAADRP C[C@@H]1CCC[N@@H+]1CC(=O)NCC[NH2+][C@@H]1CCC(=O)NC1=O ZINC001133819876 776790646 /nfs/dbraw/zinc/79/06/46/776790646.db2.gz QCAQUTCPQQSJQC-GHMZBOCLSA-N 2 0 296.371 -1.018 20 0 CAADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCC[NH2+]CCS(C)(=O)=O ZINC001133870954 776791868 /nfs/dbraw/zinc/79/18/68/776791868.db2.gz XWHKGDUFXTVRSD-WDEREUQCSA-N 2 0 291.417 -1.066 20 0 CAADRP CNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H]1C[N@H+](C)C[C@@H]1C ZINC001133869835 776791996 /nfs/dbraw/zinc/79/19/96/776791996.db2.gz MHUHXPBCQMNWQT-VHSXEESVSA-N 2 0 299.375 -1.655 20 0 CAADRP CNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H]1C[N@H+](C)C[C@H]1C ZINC001133869833 776792732 /nfs/dbraw/zinc/79/27/32/776792732.db2.gz MHUHXPBCQMNWQT-NXEZZACHSA-N 2 0 299.375 -1.655 20 0 CAADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCC[NH2+]CCS(C)(=O)=O ZINC001133870951 776793162 /nfs/dbraw/zinc/79/31/62/776793162.db2.gz XWHKGDUFXTVRSD-GHMZBOCLSA-N 2 0 291.417 -1.066 20 0 CAADRP CC[C@@H](C(=O)NCC[NH2+][C@@H]1CCNC1=O)[NH+](C)C ZINC001133962945 776797188 /nfs/dbraw/zinc/79/71/88/776797188.db2.gz NYGXNNOUDMZZTH-ZJUUUORDSA-N 2 0 256.350 -1.079 20 0 CAADRP CC[C@@H](C(=O)NCC[NH2+]CC(=O)NC(N)=O)[NH+](C)C ZINC001133965741 776797242 /nfs/dbraw/zinc/79/72/42/776797242.db2.gz IFDIJWJFXHYOHI-QMMMGPOBSA-N 2 0 273.337 -1.773 20 0 CAADRP CC[C@@H](C(=O)NCC[NH2+][C@H]1CCC(=O)NC1=O)[NH+](C)C ZINC001133963413 776798185 /nfs/dbraw/zinc/79/81/85/776798185.db2.gz UMRQCCIULYADFQ-UWVGGRQHSA-N 2 0 284.360 -1.162 20 0 CAADRP CC[C@@H](C(=O)NCC[NH2+]CC(=O)NC(=O)NC)[NH+](C)C ZINC001133983077 776799211 /nfs/dbraw/zinc/79/92/11/776799211.db2.gz YHWMRYDXHNSCLU-VIFPVBQESA-N 2 0 287.364 -1.512 20 0 CAADRP OC[C@@H]1C[NH2+]C[C@@H]1Nc1nccnc1N1CC[NH2+]CC1 ZINC001170771716 776827087 /nfs/dbraw/zinc/82/70/87/776827087.db2.gz FVOWLBLYNMGLOA-QWRGUYRKSA-N 2 0 278.360 -1.122 20 0 CAADRP OC[C@H]1C[NH2+]C[C@@H]1Nc1ccnc(N2CC[NH2+]CC2)n1 ZINC001170771079 776827784 /nfs/dbraw/zinc/82/77/84/776827784.db2.gz BENOMCBDZPSAFK-MNOVXSKESA-N 2 0 278.360 -1.122 20 0 CAADRP C[NH+](C)CCn1cc(C(=O)NCC[NH2+]CCO)cn1 ZINC001135118678 776836242 /nfs/dbraw/zinc/83/62/42/776836242.db2.gz PASZMIXORLBRAO-UHFFFAOYSA-N 2 0 269.349 -1.244 20 0 CAADRP C[NH+](C)CC1(C(=O)NC[C@@H](CO)[NH2+]CCO)CC1 ZINC001283796703 777918331 /nfs/dbraw/zinc/91/83/31/777918331.db2.gz KMPMNKFPHPTEBB-JTQLQIEISA-N 2 0 259.350 -1.613 20 0 CAADRP CN(C[C@H](O)C[NH2+]CCCO)C(=O)[C@H]1CCC[N@@H+]1C ZINC001284435449 777942088 /nfs/dbraw/zinc/94/20/88/777942088.db2.gz HSDWTZYLXKGHBD-VXGBXAGGSA-N 2 0 273.377 -1.128 20 0 CAADRP CC(C)[C@H](C(=O)N(C)C[C@H](O)C[NH2+]CCO)[NH+](C)C ZINC001284444102 777942287 /nfs/dbraw/zinc/94/22/87/777942287.db2.gz HZHYAOJRUPCORZ-VXGBXAGGSA-N 2 0 275.393 -1.026 20 0 CAADRP C[C@@H](O)C[NH2+]C[C@@H](O)CN(C)C(=O)CC[NH+](C)C ZINC001284444334 777942383 /nfs/dbraw/zinc/94/23/83/777942383.db2.gz JJIVNTMAQIIVNZ-GHMZBOCLSA-N 2 0 261.366 -1.272 20 0 CAADRP [NH3+]CCOCC(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC001118137354 779549156 /nfs/dbraw/zinc/54/91/56/779549156.db2.gz ALIHQTRDPJXALB-NSHDSACASA-N 2 0 256.350 -1.532 20 0 CAADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]C[C@@H](O)C2CC2)CC1 ZINC001118179465 779550871 /nfs/dbraw/zinc/55/08/71/779550871.db2.gz VEDVZMNMDBOJEM-QWHCGFSZSA-N 2 0 257.378 -1.045 20 0 CAADRP Cn1cc(C[N@@H+]2CC[C@H](C[NH3+])C2)c(=O)n(C)c1=O ZINC001118178679 779550906 /nfs/dbraw/zinc/55/09/06/779550906.db2.gz FDAGNIRRPOZAEY-SECBINFHSA-N 2 0 252.318 -1.135 20 0 CAADRP O=C([C@@H]1C[NH2+]CCO1)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC001118201758 779552731 /nfs/dbraw/zinc/55/27/31/779552731.db2.gz SAFTVJFATZZOQE-NEPJUHHUSA-N 2 0 268.361 -1.519 20 0 CAADRP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)COCC[NH3+] ZINC001118198497 779552856 /nfs/dbraw/zinc/55/28/56/779552856.db2.gz VAKLZVUYLYTPMV-NSHDSACASA-N 2 0 258.366 -1.286 20 0 CAADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)COCC[NH3+] ZINC001118198496 779552948 /nfs/dbraw/zinc/55/29/48/779552948.db2.gz VAKLZVUYLYTPMV-LLVKDONJSA-N 2 0 258.366 -1.286 20 0 CAADRP [NH3+]C[C@H]1CCN(C(=O)CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC001118203904 779553100 /nfs/dbraw/zinc/55/31/00/779553100.db2.gz ZOIVDLFWYGAFIK-NXEZZACHSA-N 2 0 254.334 -1.338 20 0 CAADRP CO[C@@H](C[NH3+])CC(=O)NCCCN1CC[NH2+]CC1 ZINC001118200597 779553382 /nfs/dbraw/zinc/55/33/82/779553382.db2.gz MJAMNAVUJJZNFL-LLVKDONJSA-N 2 0 258.366 -1.238 20 0 CAADRP COC(=O)C[C@H]([NH3+])C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC001118226816 779554883 /nfs/dbraw/zinc/55/48/83/779554883.db2.gz XTPVSFHMXVQKAZ-IUCAKERBSA-N 2 0 259.306 -1.629 20 0 CAADRP C[NH2+]CCNC(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC001118264892 779557795 /nfs/dbraw/zinc/55/77/95/779557795.db2.gz HQHNRUZLKMEBSD-UHFFFAOYSA-N 2 0 282.348 -1.281 20 0 CAADRP C[NH+](C)CC[C@H](N)C(=O)NCCN1CC[NH2+]CC1 ZINC001118278025 779560533 /nfs/dbraw/zinc/56/05/33/779560533.db2.gz PTARURUSWSZMNG-NSHDSACASA-N 2 0 257.382 -1.713 20 0 CAADRP CC[NH+]1CCC(NC(=O)C[NH2+]C(CO)CO)CC1 ZINC001118304190 779561574 /nfs/dbraw/zinc/56/15/74/779561574.db2.gz APVWDMHFONEOSF-UHFFFAOYSA-N 2 0 259.350 -1.470 20 0 CAADRP O=C(NC1C[NH2+]C1)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC001118486477 779570791 /nfs/dbraw/zinc/57/07/91/779570791.db2.gz NIZVVACVXVPBBB-LBPRGKRZSA-N 2 0 296.371 -1.556 20 0 CAADRP [NH3+]C[C@@H]1OCC[C@@H]1C(=O)N1CCCO[C@H](C[NH3+])C1 ZINC001118505737 779572365 /nfs/dbraw/zinc/57/23/65/779572365.db2.gz HHFUWRWKAQEIGX-VWYCJHECSA-N 2 0 257.334 -1.074 20 0 CAADRP CN(CC(C)(C)[NH3+])C(=O)C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC001118547924 779574419 /nfs/dbraw/zinc/57/44/19/779574419.db2.gz AENBOBPLMNDYEV-NSHDSACASA-N 2 0 299.419 -1.456 20 0 CAADRP [NH3+]CCn1cc(C(=O)N[C@H](C[NH3+])C(F)(F)F)nn1 ZINC001118545782 779574882 /nfs/dbraw/zinc/57/48/82/779574882.db2.gz OFDDYZPIVHFFPD-ZCFIWIBFSA-N 2 0 266.227 -1.144 20 0 CAADRP NC(=O)CN1CCC[C@H](NC(=O)CC2([NH3+])CC2)C1 ZINC001118569666 779576863 /nfs/dbraw/zinc/57/68/63/779576863.db2.gz IZRGCPXRWHZHQS-VIFPVBQESA-N 2 0 254.334 -1.066 20 0 CAADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)N[C@@H]1CC[NH2+]C1 ZINC001118862672 779590938 /nfs/dbraw/zinc/59/09/38/779590938.db2.gz UQTCQMIAUNRJAC-MNOVXSKESA-N 2 0 255.366 -1.107 20 0 CAADRP C[NH2+]C[C@H](C)CNC(=O)[C@@]1(COC)C[NH2+]CCO1 ZINC001119234836 779608663 /nfs/dbraw/zinc/60/86/63/779608663.db2.gz GJFPDEAACYIPIT-JQWIXIFHSA-N 2 0 259.350 -1.037 20 0 CAADRP CN1CC[C@@H]([NH+]2CCC(NC(=O)C[NH3+])CC2)C1=O ZINC001119241349 779608798 /nfs/dbraw/zinc/60/87/98/779608798.db2.gz BQRMVBLBZHBINV-SNVBAGLBSA-N 2 0 254.334 -1.244 20 0 CAADRP CN1CC[C@H]([NH+]2CCC(NC(=O)C[NH3+])CC2)C1=O ZINC001119241348 779609178 /nfs/dbraw/zinc/60/91/78/779609178.db2.gz BQRMVBLBZHBINV-JTQLQIEISA-N 2 0 254.334 -1.244 20 0 CAADRP [NH3+][C@H]1C[C@@H](CNC(=O)NCC(=O)N2CC[NH2+]CC2)C1 ZINC001119415405 779613404 /nfs/dbraw/zinc/61/34/04/779613404.db2.gz WHDMGVZNLHKQEG-AOOOYVTPSA-N 2 0 269.349 -1.545 20 0 CAADRP COC[C@H](C)OC[C@@H](O)CN1CC[NH2+]CC[NH2+]CC1 ZINC001119619305 779619951 /nfs/dbraw/zinc/61/99/51/779619951.db2.gz YRNKHSJWIGJRNB-STQMWFEESA-N 2 0 275.393 -1.106 20 0 CAADRP C([C@@H]1CC2(C[NH2+]C2)CO1)N1CC[NH2+]CC[NH2+]CC1 ZINC001119682246 779622992 /nfs/dbraw/zinc/62/29/92/779622992.db2.gz CJAVPDHLFHSXBG-LBPRGKRZSA-N 3 0 254.378 -1.140 20 0 CAADRP C([C@H]1CC2(C[NH2+]C2)CO1)N1CC[NH2+]CC[NH2+]CC1 ZINC001119682245 779623747 /nfs/dbraw/zinc/62/37/47/779623747.db2.gz CJAVPDHLFHSXBG-GFCCVEGCSA-N 3 0 254.378 -1.140 20 0 CAADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@H]2C[C@H](C[NH3+])C2)C1 ZINC001120526121 779640292 /nfs/dbraw/zinc/64/02/92/779640292.db2.gz XQSSKGGINPLBBQ-SRVKXCTJSA-N 2 0 298.387 -1.323 20 0 CAADRP C[C@@H]1C[NH2+]C[C@H]1NC(=O)NCCN1CC[NH2+]CC1 ZINC001120538546 779640663 /nfs/dbraw/zinc/64/06/63/779640663.db2.gz PJNLTWWKTPZMEX-GHMZBOCLSA-N 2 0 255.366 -1.201 20 0 CAADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N[C@H]2C[C@H](C[NH3+])C2)C1 ZINC001120526119 779641005 /nfs/dbraw/zinc/64/10/05/779641005.db2.gz XQSSKGGINPLBBQ-IJLUTSLNSA-N 2 0 298.387 -1.323 20 0 CAADRP O=C(NC[C@@H]1COCC[NH2+]1)N1CCNCC[NH2+]CC1 ZINC001120551647 779641530 /nfs/dbraw/zinc/64/15/30/779641530.db2.gz YKMDXDMXFGITFS-LLVKDONJSA-N 2 0 271.365 -1.821 20 0 CAADRP C[C@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)N(C)CCN1CC[NH2+]CC1 ZINC001121810635 779650551 /nfs/dbraw/zinc/65/05/51/779650551.db2.gz LQAKCNDEAJYRIW-UONOGXRCSA-N 2 0 295.431 -1.262 20 0 CAADRP [NH3+][C@@H]1CCCN(C(=O)[C@@H]2CC(=O)N(C3C[NH2+]C3)C2)C1 ZINC001121936292 779652805 /nfs/dbraw/zinc/65/28/05/779652805.db2.gz ABVGTQIGOZRIDI-NXEZZACHSA-N 2 0 266.345 -1.244 20 0 CAADRP C[NH+](C)CCNC(=O)[C@H]1CC(=O)N(C2C[NH2+]C2)C1 ZINC001121935665 779652948 /nfs/dbraw/zinc/65/29/48/779652948.db2.gz ASWHTAMMUNHPPQ-VIFPVBQESA-N 2 0 254.334 -1.516 20 0 CAADRP CN1CC[NH2+]C[C@H]1C(=O)N[C@H](CC[NH3+])C(F)F ZINC001121943645 779653847 /nfs/dbraw/zinc/65/38/47/779653847.db2.gz LPXMUHMZZGGILJ-SFYZADRCSA-N 2 0 250.293 -1.011 20 0 CAADRP CN1CC[NH2+]C[C@H]1C(=O)N[C@@H](CC[NH3+])C(F)F ZINC001121943646 779654072 /nfs/dbraw/zinc/65/40/72/779654072.db2.gz LPXMUHMZZGGILJ-YUMQZZPRSA-N 2 0 250.293 -1.011 20 0 CAADRP COCCC[NH+]1CCC(NC(=O)[C@H]([NH3+])CO)CC1 ZINC001121996538 779654157 /nfs/dbraw/zinc/65/41/57/779654157.db2.gz JXLOYQQMAPNYTI-LLVKDONJSA-N 2 0 259.350 -1.077 20 0 CAADRP C[NH+](C)CCCNC(=O)[C@]12C[NH2+]C[C@H]1CS(=O)(=O)C2 ZINC001121974528 779654241 /nfs/dbraw/zinc/65/42/41/779654241.db2.gz JZWXCMVBYIBJNE-JQWIXIFHSA-N 2 0 289.401 -1.312 20 0 CAADRP C[NH+](C)CCOCCNC(=O)[C@@]1(C)C[C@@H](O)C[NH2+]1 ZINC001122041016 779654992 /nfs/dbraw/zinc/65/49/92/779654992.db2.gz HQMDWJOAPGHVOX-ZYHUDNBSSA-N 2 0 259.350 -1.206 20 0 CAADRP O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)[C@H]1CC(=O)N(C2C[NH2+]C2)C1 ZINC001122023971 779655002 /nfs/dbraw/zinc/65/50/02/779655002.db2.gz RZSORLQBISXBLH-QAHWYCSRSA-N 2 0 264.329 -1.859 20 0 CAADRP C[NH+](C)CCOCCNC(=O)[C@]1(C)C[C@H](O)C[NH2+]1 ZINC001122041014 779655136 /nfs/dbraw/zinc/65/51/36/779655136.db2.gz HQMDWJOAPGHVOX-JQWIXIFHSA-N 2 0 259.350 -1.206 20 0 CAADRP COCC[NH2+]CCNC(=O)[C@H]1CC(=O)N(C2C[NH2+]C2)C1 ZINC001122010537 779655158 /nfs/dbraw/zinc/65/51/58/779655158.db2.gz SMNNMFYYUNIGFC-JTQLQIEISA-N 2 0 284.360 -1.841 20 0 CAADRP C[NH+](C)CCOCCNC(=O)[C@]1(C)C[C@@H](O)C[NH2+]1 ZINC001122041015 779655264 /nfs/dbraw/zinc/65/52/64/779655264.db2.gz HQMDWJOAPGHVOX-PWSUYJOCSA-N 2 0 259.350 -1.206 20 0 CAADRP C[C@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001122022735 779655618 /nfs/dbraw/zinc/65/56/18/779655618.db2.gz VJDHCADSLXTTCV-PREPNJAASA-N 2 0 250.346 -1.291 20 0 CAADRP C[NH2+]C[C@H](O)[C@H](C)C(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC001122070809 779656662 /nfs/dbraw/zinc/65/66/62/779656662.db2.gz ZIONRGKTGIUQEU-DCAQKATOSA-N 2 0 259.350 -1.221 20 0 CAADRP O=C(NC[C@H]1COCC[NH2+]1)[C@H]1[NH2+]CC12CCOCC2 ZINC001122089917 779657062 /nfs/dbraw/zinc/65/70/62/779657062.db2.gz POTQJEHRMHHCFY-WDEREUQCSA-N 2 0 269.345 -1.140 20 0 CAADRP O=C(C[C@@]1(O)CCC[NH2+]C1)NC[C@@H]1COCC[NH2+]1 ZINC001122090321 779657070 /nfs/dbraw/zinc/65/70/70/779657070.db2.gz VLJVRVZTUIXXCB-PWSUYJOCSA-N 2 0 257.334 -1.404 20 0 CAADRP C[NH2+]CCOCCN(C)C(=O)[C@H]1C[NH2+]CCN1C ZINC001122089135 779657445 /nfs/dbraw/zinc/65/74/45/779657445.db2.gz GEUAJDDVIAHUKX-LLVKDONJSA-N 2 0 258.366 -1.416 20 0 CAADRP COCC[C@H]([NH3+])C(=O)N1CCC[C@@H]([NH2+]CCO)C1 ZINC001122094619 779657602 /nfs/dbraw/zinc/65/76/02/779657602.db2.gz OJXICRVFXSDOMB-MNOVXSKESA-N 2 0 259.350 -1.077 20 0 CAADRP O=C(C[C@]1(O)CCC[NH2+]C1)NC[C@@H]1COCC[NH2+]1 ZINC001122090322 779657752 /nfs/dbraw/zinc/65/77/52/779657752.db2.gz VLJVRVZTUIXXCB-ZYHUDNBSSA-N 2 0 257.334 -1.404 20 0 CAADRP CN(CCOCC[NH3+])C(=O)C[C@]1(O)CCC[NH2+]C1 ZINC001122096398 779657859 /nfs/dbraw/zinc/65/78/59/779657859.db2.gz RGKVSENTTKFTAS-GFCCVEGCSA-N 2 0 259.350 -1.075 20 0 CAADRP CC(C)(O)[C@H]([NH3+])C(=O)N1CCC[C@H]([NH2+]CCO)C1 ZINC001122094364 779657960 /nfs/dbraw/zinc/65/79/60/779657960.db2.gz LUJWLLINLGANGX-VHSXEESVSA-N 2 0 259.350 -1.343 20 0 CAADRP C[NH2+]C[C@H](O)CN(C)C(=O)[C@@]1(C[NH3+])CCCOC1 ZINC001122100199 779658758 /nfs/dbraw/zinc/65/87/58/779658758.db2.gz NKMNIMKHGXYLEP-CMPLNLGQSA-N 2 0 259.350 -1.219 20 0 CAADRP [NH3+]CCCn1ccc(C(=O)N2CC[NH2+]C[C@H]2CO)n1 ZINC001122124381 779658906 /nfs/dbraw/zinc/65/89/06/779658906.db2.gz KSSUEMFOWSLBFQ-JTQLQIEISA-N 2 0 267.333 -1.362 20 0 CAADRP CN1CC[NH2+]C[C@H]1C(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC001122119336 779658954 /nfs/dbraw/zinc/65/89/54/779658954.db2.gz NPQOQJFROXPCAD-GMXVVIOVSA-N 2 0 252.362 -1.042 20 0 CAADRP COCC[NH2+]CC(=O)N1NC(=O)C[C@]12CC[NH2+]C2 ZINC001122108451 779658983 /nfs/dbraw/zinc/65/89/83/779658983.db2.gz FQVAXPXXBOOBKR-NSHDSACASA-N 2 0 256.306 -1.782 20 0 CAADRP CC[NH+]1CCN(CCC(=O)NC[C@@H](O)C[NH3+])CC1 ZINC001122149041 779659476 /nfs/dbraw/zinc/65/94/76/779659476.db2.gz RBBMKKCWXKZFOF-NSHDSACASA-N 2 0 258.366 -1.550 20 0 CAADRP C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)N(C)CCOCC[NH3+] ZINC001122172973 779661153 /nfs/dbraw/zinc/66/11/53/779661153.db2.gz ZBNFWSYQPJKATF-VXGBXAGGSA-N 2 0 270.377 -1.192 20 0 CAADRP CC(C)OC[C@H]([NH3+])C(=O)N1CCNCC[NH2+]CC1 ZINC001122288255 779662902 /nfs/dbraw/zinc/66/29/02/779662902.db2.gz PIDYBNVBDWXJJK-NSHDSACASA-N 2 0 258.366 -1.240 20 0 CAADRP COCC[C@H]1C[NH2+]CCN1C(=O)[C@@H]1C[NH2+]CCO1 ZINC001122312769 779664271 /nfs/dbraw/zinc/66/42/71/779664271.db2.gz JTEGOURFQTUCSH-QWRGUYRKSA-N 2 0 257.334 -1.188 20 0 CAADRP O=C([C@@H]1C[NH2+]CCO1)N1CCC2(CC1)C[NH2+]CCO2 ZINC001122319234 779664399 /nfs/dbraw/zinc/66/43/99/779664399.db2.gz FGRNEPNIYONNFZ-NSHDSACASA-N 2 0 269.345 -1.044 20 0 CAADRP [NH3+]C1(CNC(=O)[C@@H]2CC(=O)N(C3C[NH2+]C3)C2)CC1 ZINC001122349845 779665363 /nfs/dbraw/zinc/66/53/63/779665363.db2.gz WTZHUHZPFCXLPC-MRVPVSSYSA-N 2 0 252.318 -1.586 20 0 CAADRP COC[C@H]1C[NH2+]CCN1C(=O)[C@H](N)CC[NH+](C)C ZINC001122332088 779665524 /nfs/dbraw/zinc/66/55/24/779665524.db2.gz OGRBRBVGZIBASQ-GHMZBOCLSA-N 2 0 258.366 -1.288 20 0 CAADRP O=C(N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO)C1(O)C[NH2+]C1 ZINC001122442448 779668820 /nfs/dbraw/zinc/66/88/20/779668820.db2.gz PLMDNIIUCYSIOH-GHMZBOCLSA-N 2 0 269.345 -1.622 20 0 CAADRP CO[C@@H](C[NH3+])C(=O)N[C@H](C)[C@H]1C[N@H+](C)CCN1C ZINC001122449685 779669032 /nfs/dbraw/zinc/66/90/32/779669032.db2.gz WPKMRRMFJVNEOS-MXWKQRLJSA-N 2 0 258.366 -1.289 20 0 CAADRP CNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001124867732 779719498 /nfs/dbraw/zinc/71/94/98/779719498.db2.gz YQVHSNZZZZYWQK-ZJUUUORDSA-N 2 0 299.375 -1.370 20 0 CAADRP C[N@@H+]1CCC[C@@H]1C(=O)NCC[NH2+]CCN1CCNC1=O ZINC001124879490 779719995 /nfs/dbraw/zinc/71/99/95/779719995.db2.gz VBDQLWIPCCHNEZ-LLVKDONJSA-N 2 0 283.376 -1.188 20 0 CAADRP C[C@H]([NH2+]CCNC(=O)[C@@H]1CCC[N@@H+]1C)C(=O)NC(N)=O ZINC001124866346 779720071 /nfs/dbraw/zinc/72/00/71/779720071.db2.gz AOQJJLFUGKEVIZ-IUCAKERBSA-N 2 0 285.348 -1.630 20 0 CAADRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)CN1CC(=O)NC1=O ZINC001142096903 779751461 /nfs/dbraw/zinc/75/14/61/779751461.db2.gz LTMDLAJYEFWIAK-UHFFFAOYSA-N 2 0 298.347 -1.398 20 0 CAADRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)Cn1cnnn1 ZINC001142141673 779754557 /nfs/dbraw/zinc/75/45/57/779754557.db2.gz UQNWTGVQUYUEEO-UHFFFAOYSA-N 2 0 268.325 -1.263 20 0 CAADRP C[NH+]1CCN(CCC(=O)N(CC[NH3+])S(C)(=O)=O)CC1 ZINC001143223432 779769819 /nfs/dbraw/zinc/76/98/19/779769819.db2.gz CTXFRLFMAAXIKC-UHFFFAOYSA-N 2 0 292.405 -1.629 20 0 CAADRP COC[C@@H](O)C[NH2+]CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001151058101 779801716 /nfs/dbraw/zinc/80/17/16/779801716.db2.gz WIDRNKOPNMDCRU-MNOVXSKESA-N 2 0 259.350 -1.349 20 0 CAADRP C[N@@H+]1CC[C@@H](C(=O)NCC[NH2+]CC(=O)N2CCOCC2)C1 ZINC001151049170 779801809 /nfs/dbraw/zinc/80/18/09/779801809.db2.gz JGWFSCTZVCAJJK-GFCCVEGCSA-N 2 0 298.387 -1.497 20 0 CAADRP CC[C@H]([NH2+]CCNC(=O)[C@@H]1CC[N@H+](C)C1)C(N)=O ZINC001151064370 779802177 /nfs/dbraw/zinc/80/21/77/779802177.db2.gz ARMUPYBNBBGPAZ-ZJUUUORDSA-N 2 0 256.350 -1.092 20 0 CAADRP C[N@@H+]1CC[C@@H](C(=O)NCC[NH2+]CC(=O)NC(N)=O)C1 ZINC001151048756 779802516 /nfs/dbraw/zinc/80/25/16/779802516.db2.gz FOUQIVKSQKFKKS-MRVPVSSYSA-N 2 0 271.321 -2.161 20 0 CAADRP C[N@@H+]1CC[C@@H](C(=O)NCC[NH2+]CCNS(C)(=O)=O)C1 ZINC001151065010 779802374 /nfs/dbraw/zinc/80/23/74/779802374.db2.gz GYSXLTYOGZFDQT-SNVBAGLBSA-N 2 0 292.405 -1.807 20 0 CAADRP C[N@@H+]1CC[C@@H](C(=O)NCC[NH2+]CCN2C(=O)CCC2=O)C1 ZINC001151072988 779802408 /nfs/dbraw/zinc/80/24/08/779802408.db2.gz CACDEJSYSYHTSP-LLVKDONJSA-N 2 0 296.371 -1.207 20 0 CAADRP C[N@@H+]1CC[C@@H](C(=O)NCC[NH2+]CCN2CCNC2=O)C1 ZINC001151064359 779802786 /nfs/dbraw/zinc/80/27/86/779802786.db2.gz AOXVPYYZXTWCQB-LLVKDONJSA-N 2 0 283.376 -1.331 20 0 CAADRP C[N@@H+]1CC[C@@H](C(=O)NCC[NH2+]CC(=O)N2CCC2)C1 ZINC001151044370 779802844 /nfs/dbraw/zinc/80/28/44/779802844.db2.gz RPBBGHQAJMIPIJ-LLVKDONJSA-N 2 0 268.361 -1.124 20 0 CAADRP C[N@@H+]1CC[C@H](C(=O)NCC[NH2+]CCNS(C)(=O)=O)C1 ZINC001151065005 779803002 /nfs/dbraw/zinc/80/30/02/779803002.db2.gz GYSXLTYOGZFDQT-JTQLQIEISA-N 2 0 292.405 -1.807 20 0 CAADRP C[N@@H+]1CC[C@H](C(=O)NCC[NH2+][C@H]2CCCNC2=O)C1 ZINC001151049546 779803148 /nfs/dbraw/zinc/80/31/48/779803148.db2.gz RQHCAIRPUYMXKB-QWRGUYRKSA-N 2 0 268.361 -1.078 20 0 CAADRP O=C(C[NH+]1CCCC1)NCC[NH2+]CCN1C(=O)CNC1=O ZINC001151101611 779804122 /nfs/dbraw/zinc/80/41/22/779804122.db2.gz VFXPIFCREYIFGL-UHFFFAOYSA-N 2 0 297.359 -1.660 20 0 CAADRP C[C@@H]([NH2+]CCNC(=O)[C@@H]1CC[N@H+](C)C1)C(=O)NC(N)=O ZINC001151074380 779804412 /nfs/dbraw/zinc/80/44/12/779804412.db2.gz XLGRCWRYYSUNOD-RKDXNWHRSA-N 2 0 285.348 -1.773 20 0 CAADRP C[C@@H]([NH2+]CCNC(=O)C[NH+]1CCCC1)C(=O)NC(N)=O ZINC001151106613 779804452 /nfs/dbraw/zinc/80/44/52/779804452.db2.gz FBZKVUNOFCFNCT-SECBINFHSA-N 2 0 285.348 -1.629 20 0 CAADRP CNC(=O)NC(=O)C[NH2+]CCNC(=O)C[NH+]1CCCC1 ZINC001151096646 779804858 /nfs/dbraw/zinc/80/48/58/779804858.db2.gz DIWIVHRLXIXMER-UHFFFAOYSA-N 2 0 285.348 -1.756 20 0 CAADRP C[C@@H]([NH2+]CCNC(=O)[C@H]1CC[N@H+](C)C1)C(=O)NC(N)=O ZINC001151074377 779805360 /nfs/dbraw/zinc/80/53/60/779805360.db2.gz XLGRCWRYYSUNOD-BDAKNGLRSA-N 2 0 285.348 -1.773 20 0 CAADRP C[C@H](C[NH+]1CCOCC1)C(=O)NCC[NH2+]CC(N)=O ZINC001151156802 779806594 /nfs/dbraw/zinc/80/65/94/779806594.db2.gz HDGPIVOFYVEWTI-SNVBAGLBSA-N 2 0 272.349 -1.854 20 0 CAADRP C[C@@H](C[NH+]1CCOCC1)C(=O)NCC[NH2+][C@@H]1CCNC1=O ZINC001151157953 779806625 /nfs/dbraw/zinc/80/66/25/779806625.db2.gz NQDZUGBPEDGPNE-NWDGAFQWSA-N 2 0 298.387 -1.451 20 0 CAADRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCC[NH2+]CC(=O)NC(N)=O ZINC001152147901 779819695 /nfs/dbraw/zinc/81/96/95/779819695.db2.gz NFUCLFMGTYKLKX-UWVGGRQHSA-N 2 0 299.375 -1.240 20 0 CAADRP NC(=O)NC(=O)C[NH2+]CCNC(=O)CC[NH+]1CCCCC1 ZINC001152339852 779823054 /nfs/dbraw/zinc/82/30/54/779823054.db2.gz CRSIFMIYARDDGI-UHFFFAOYSA-N 2 0 299.375 -1.237 20 0 CAADRP CS(=O)(=O)N(CC[NH3+])c1ncnc2c1CC[NH2+]C2 ZINC001154766424 779864796 /nfs/dbraw/zinc/86/47/96/779864796.db2.gz YITALWQHZBLJNA-UHFFFAOYSA-N 2 0 271.346 -1.153 20 0 CAADRP CS(=O)(=O)N(CC[NH3+])c1ncnc2c1CC[NH2+]CC2 ZINC001154767039 779864906 /nfs/dbraw/zinc/86/49/06/779864906.db2.gz SQWNCZMZUQTLHT-UHFFFAOYSA-N 2 0 285.373 -1.111 20 0 CAADRP C[C@@H]([NH2+]CCCNC(=O)[C@H]1CCC[N@@H+]1C)C(=O)NC(N)=O ZINC001155821915 779877067 /nfs/dbraw/zinc/87/70/67/779877067.db2.gz FDNLZGMJZISAFO-NXEZZACHSA-N 2 0 299.375 -1.240 20 0 CAADRP Cn1nnnc1C[NH2+]CCCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001155791602 779877157 /nfs/dbraw/zinc/87/71/57/779877157.db2.gz XRTZPRILACLRIL-JTQLQIEISA-N 2 0 281.364 -1.100 20 0 CAADRP C[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+][C@H]1CCC(=O)NC1=O ZINC001155795528 779877513 /nfs/dbraw/zinc/87/75/13/779877513.db2.gz HSBBDQUTDBTOSZ-QWRGUYRKSA-N 2 0 296.371 -1.018 20 0 CAADRP CNC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001155791822 779878108 /nfs/dbraw/zinc/87/81/08/779878108.db2.gz YSPLLSCDOWLQQT-SNVBAGLBSA-N 2 0 299.375 -1.368 20 0 CAADRP [NH3+]CCN(CCO)c1ncnc2c1CC[NH2+]CC2 ZINC001155948065 779879648 /nfs/dbraw/zinc/87/96/48/779879648.db2.gz ILJYWLSLBOCION-UHFFFAOYSA-N 2 0 251.334 -1.078 20 0 CAADRP [NH3+]CCN(CCO)c1ncccc1C(=O)N1CC[NH2+]CC1 ZINC001155953568 779880712 /nfs/dbraw/zinc/88/07/12/779880712.db2.gz XBFXDWRGWQHLQD-UHFFFAOYSA-N 2 0 293.371 -1.116 20 0 CAADRP [NH3+]CCc1nnn(-c2cncc(N3CC[NH2+]CC3)n2)n1 ZINC001156984933 779892972 /nfs/dbraw/zinc/89/29/72/779892972.db2.gz PBPTYAYGOADNMD-UHFFFAOYSA-N 2 0 275.320 -1.637 20 0 CAADRP CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H]1C[NH2+]C[C@@H](O)C1 ZINC001157323862 779899385 /nfs/dbraw/zinc/89/93/85/779899385.db2.gz YRIKGKCMSWHEGU-VWYCJHECSA-N 2 0 286.376 -1.683 20 0 CAADRP CNC(=O)[C@H](CCCC[NH3+])NC(=O)C1C[NH+](C)C1 ZINC001157323401 779899423 /nfs/dbraw/zinc/89/94/23/779899423.db2.gz PFPNTGVYCZYGQP-JTQLQIEISA-N 2 0 256.350 -1.092 20 0 CAADRP CNC(=O)[C@H](CCCC[NH3+])NC(=O)C1(O)CC[NH2+]CC1 ZINC001157323255 779899438 /nfs/dbraw/zinc/89/94/38/779899438.db2.gz FRAZFVOBTHBBDY-JTQLQIEISA-N 2 0 286.376 -1.539 20 0 CAADRP CNC(=O)[C@H](CCCC[NH3+])NC(=O)C1=NO[C@@H]2C[NH2+]C[C@H]12 ZINC001157323687 779899538 /nfs/dbraw/zinc/89/95/38/779899538.db2.gz VPDDVDUHUAAWSK-LPEHRKFASA-N 2 0 297.359 -1.680 20 0 CAADRP CNC(=O)[C@H](CCCC[NH3+])NC(=O)CN1CC[NH2+]CC1 ZINC001157324317 779899620 /nfs/dbraw/zinc/89/96/20/779899620.db2.gz VQDKCJDXAAULDW-NSHDSACASA-N 2 0 285.392 -1.749 20 0 CAADRP CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H]1C[NH2+][C@@H]2CCO[C@@H]21 ZINC001157323156 779899645 /nfs/dbraw/zinc/89/96/45/779899645.db2.gz BYYQHQFDIZHVFD-WHOHXGKFSA-N 2 0 298.387 -1.277 20 0 CAADRP CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H]1C[NH2+]C[C@@H]1N ZINC001157335928 779899848 /nfs/dbraw/zinc/89/98/48/779899848.db2.gz LYVLNKYBEIGTDA-GUBZILKMSA-N 2 0 271.365 -2.107 20 0 CAADRP CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@](C)([NH3+])CO ZINC001157322983 779899962 /nfs/dbraw/zinc/89/99/62/779899962.db2.gz HIWXZRCWLPGJOF-KWQFWETISA-N 2 0 260.338 -1.944 20 0 CAADRP CNC(=O)[C@H](CCCC[NH3+])NC(=O)CNC(=O)C[NH3+] ZINC001157323269 779899981 /nfs/dbraw/zinc/89/99/81/779899981.db2.gz NPOLSXCLVBHVFU-QMMMGPOBSA-N 2 0 273.337 -2.579 20 0 CAADRP CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H]1C[NH2+]C[C@H]1O ZINC001157336339 779900053 /nfs/dbraw/zinc/90/00/53/779900053.db2.gz NGQXVMVTVTUEBA-LPEHRKFASA-N 2 0 272.349 -2.074 20 0 CAADRP CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H]1C[NH2+]CCC1=O ZINC001157337902 779900390 /nfs/dbraw/zinc/90/03/90/779900390.db2.gz YNVRGFTXQZKASO-UWVGGRQHSA-N 2 0 284.360 -1.475 20 0 CAADRP CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H]1C[NH2+]CCN1C ZINC001157344717 779900476 /nfs/dbraw/zinc/90/04/76/779900476.db2.gz UPIOMULIHBBMCR-QWRGUYRKSA-N 2 0 285.392 -1.750 20 0 CAADRP CNC(=O)[C@H](CCCC[NH3+])NC(=O)CNCCC[NH3+] ZINC001157336972 779900529 /nfs/dbraw/zinc/90/05/29/779900529.db2.gz RVIVOQMOLPCAHI-JTQLQIEISA-N 2 0 273.381 -1.715 20 0 CAADRP CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H]1CC[C@@H]([NH3+])CO1 ZINC001157337010 779900595 /nfs/dbraw/zinc/90/05/95/779900595.db2.gz SJHYGOUUVRZURS-VWYCJHECSA-N 2 0 286.376 -1.148 20 0 CAADRP CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H]1C[NH2+]CCC1=O ZINC001157337903 779901141 /nfs/dbraw/zinc/90/11/41/779901141.db2.gz YNVRGFTXQZKASO-ZJUUUORDSA-N 2 0 284.360 -1.475 20 0 CAADRP N[C@@H](CC[NH3+])C(=O)N[C@@H](CCCC[NH3+])C(=O)N1CCCC1 ZINC001157378566 779901558 /nfs/dbraw/zinc/90/15/58/779901558.db2.gz CQHYLVRLNSYOEK-RYUDHWBXSA-N 2 0 299.419 -1.101 20 0 CAADRP [NH3+]CCCC[C@H](NC(=O)CNCC[NH3+])C(=O)N1CCCC1 ZINC001157379634 779901580 /nfs/dbraw/zinc/90/15/80/779901580.db2.gz PATWVGBLTQDRGH-LBPRGKRZSA-N 2 0 299.419 -1.229 20 0 CAADRP Cc1cc(N(C(N)=[NH2+])C(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)n[nH]1 ZINC001157439567 779902617 /nfs/dbraw/zinc/90/26/17/779902617.db2.gz KGVHFSPAVHLSNX-MRVPVSSYSA-N 3 0 277.332 -1.246 20 0 CAADRP Cn1ccnc1CCNC(=O)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001157421710 779902829 /nfs/dbraw/zinc/90/28/29/779902829.db2.gz HUSLWPPOKMRWTQ-SNVBAGLBSA-N 2 0 263.345 -1.112 20 0 CAADRP Cc1cc(N(C(N)=[NH2+])C(=O)[C@H]2C[NH2+]C[C@@H]2N)n[nH]1 ZINC001157439346 779903001 /nfs/dbraw/zinc/90/30/01/779903001.db2.gz FZXMJIZJGNGBOL-BQBZGAKWSA-N 2 0 251.294 -1.509 20 0 CAADRP CCOC(=O)CC1([NH3+])CCN(C(=O)C[C@H](O)C[NH3+])CC1 ZINC001157448820 779903163 /nfs/dbraw/zinc/90/31/63/779903163.db2.gz LFGZGGLPTUJTRV-JTQLQIEISA-N 2 0 287.360 -1.031 20 0 CAADRP CCOC(=O)CC1([NH3+])CCN(C(=O)[C@@H]2C[C@H](O)C[NH2+]2)CC1 ZINC001157448661 779903398 /nfs/dbraw/zinc/90/33/98/779903398.db2.gz FBYLJSDXOVTFGG-QWRGUYRKSA-N 2 0 299.371 -1.018 20 0 CAADRP CCOC(=O)CC1([NH3+])CCN(C(=O)[C@@H]2C[NH2+]CCN2)CC1 ZINC001157449282 779903564 /nfs/dbraw/zinc/90/35/64/779903564.db2.gz VOMBSPCRPSCSOZ-NSHDSACASA-N 2 0 298.387 -1.179 20 0 CAADRP CCOC(=O)CC1([NH3+])CCN(C(=O)[C@@H]2C[C@@H]([NH3+])CN2)CC1 ZINC001157448904 779903571 /nfs/dbraw/zinc/90/35/71/779903571.db2.gz OMDCEZAFGOTRLC-MNOVXSKESA-N 2 0 298.387 -1.051 20 0 CAADRP CN1CCN(C(=O)[C@H]([NH3+])C2CC[NH2+]CC2)CC1=O ZINC001157484859 779904405 /nfs/dbraw/zinc/90/44/05/779904405.db2.gz FMRSDVOYWBUQDW-LLVKDONJSA-N 2 0 254.334 -1.386 20 0 CAADRP CN1CCN(C(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)CC1=O ZINC001157485428 779904764 /nfs/dbraw/zinc/90/47/64/779904764.db2.gz NCHIJEBTFYEDIW-SECBINFHSA-N 2 0 252.318 -1.904 20 0 CAADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)N1CCn2cnnc2C1 ZINC001157508447 779906939 /nfs/dbraw/zinc/90/69/39/779906939.db2.gz VAXMGHPLYSLSNJ-LLVKDONJSA-N 2 0 293.375 -1.629 20 0 CAADRP [NH3+][C@H](C(=O)N1CCn2cnnc2C1)C1CC[NH2+]CC1 ZINC001157507165 779906994 /nfs/dbraw/zinc/90/69/94/779906994.db2.gz FJVFGXCCEHEXFL-NSHDSACASA-N 2 0 264.333 -1.053 20 0 CAADRP [NH3+]CCSC[C@H]([NH3+])C(=O)N1CCn2cnnc2C1 ZINC001157507044 779907159 /nfs/dbraw/zinc/90/71/59/779907159.db2.gz DSSLJIMRFGWYSG-QMMMGPOBSA-N 2 0 270.362 -1.361 20 0 CAADRP [NH3+][C@H]1CN(C(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)C[C@H]1F ZINC001157537067 779907822 /nfs/dbraw/zinc/90/78/22/779907822.db2.gz USHPASYAWMRHCA-MWGHHZFTSA-N 3 0 256.325 -1.307 20 0 CAADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)N1CC(N2CC(F)C2)C1 ZINC001157529168 779908016 /nfs/dbraw/zinc/90/80/16/779908016.db2.gz YISAPQLZJOXOCR-CYBMUJFWSA-N 2 0 299.394 -1.399 20 0 CAADRP COCC1CN(C(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)C1 ZINC001157521995 779908051 /nfs/dbraw/zinc/90/80/51/779908051.db2.gz NMBVDTBLBNAWRM-LBPRGKRZSA-N 2 0 270.377 -1.158 20 0 CAADRP NC(=O)NCCC[C@H]([NH3+])C(=O)N1C[C@@H](F)[C@@H]([NH3+])C1 ZINC001157535617 779908067 /nfs/dbraw/zinc/90/80/67/779908067.db2.gz CTDWSPDRUWFAHJ-CSMHCCOUSA-N 2 0 261.301 -1.730 20 0 CAADRP CC(C)C[C@H](NC(=O)C[NH3+])C(=O)N1C[C@@H](F)[C@@H]([NH3+])C1 ZINC001157539172 779908307 /nfs/dbraw/zinc/90/83/07/779908307.db2.gz YXSDHAGVBTZEJF-UTLUCORTSA-N 2 0 274.340 -1.016 20 0 CAADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)N1C[C@@H](F)[C@@H]([NH3+])C1 ZINC001157544959 779908832 /nfs/dbraw/zinc/90/88/32/779908832.db2.gz KBFQXIOLXUJOCD-VWYCJHECSA-N 3 0 273.356 -1.756 20 0 CAADRP CC(=O)O[C@@H]1C[NH2+]C[C@H]1C(=O)N1C[C@@H](F)[C@@H]([NH3+])C1 ZINC001157545306 779909050 /nfs/dbraw/zinc/90/90/50/779909050.db2.gz OTUWFRNDMQQQRN-DOLQZWNJSA-N 2 0 259.281 -1.355 20 0 CAADRP CC1([NH3+])CN(C(=O)[C@H]2CCS(=O)(=O)C23C[NH2+]C3)C1 ZINC001157633647 779909072 /nfs/dbraw/zinc/90/90/72/779909072.db2.gz NXAZLRHYTTYHAN-MRVPVSSYSA-N 2 0 273.358 -1.677 20 0 CAADRP CC(C)(C)OC[C@H]([NH3+])C(=O)NCC(=O)N1CC(C)([NH3+])C1 ZINC001157651343 779909466 /nfs/dbraw/zinc/90/94/66/779909466.db2.gz MHAFRZYUBPMEGC-VIFPVBQESA-N 2 0 286.376 -1.195 20 0 CAADRP CN(C[C@@H]1C[NH2+]CCO1)C(=O)[C@@]12C[NH2+]C[C@H]1CCN2 ZINC001157715526 779910053 /nfs/dbraw/zinc/91/00/53/779910053.db2.gz FQEUPUWJJUFKMW-NTZNESFSSA-N 2 0 268.361 -1.615 20 0 CAADRP CCNC(=O)CN(C)C(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001157678847 779910233 /nfs/dbraw/zinc/91/02/33/779910233.db2.gz JDROSANNVWCYCK-VIFPVBQESA-N 2 0 254.334 -1.610 20 0 CAADRP C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N1CC([NH+](C)C)C1 ZINC001157689631 779910284 /nfs/dbraw/zinc/91/02/84/779910284.db2.gz VLFHJMCXWICFLP-CBAPKCEASA-N 2 0 258.322 -2.417 20 0 CAADRP C[NH+](C)C1CN(C(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)C1 ZINC001157689286 779910553 /nfs/dbraw/zinc/91/05/53/779910553.db2.gz TWOQQKHEAGHZBC-GFCCVEGCSA-N 3 0 269.393 -1.491 20 0 CAADRP CCNC(=O)CN(C)C(=O)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001157678846 779910617 /nfs/dbraw/zinc/91/06/17/779910617.db2.gz JDROSANNVWCYCK-SECBINFHSA-N 2 0 254.334 -1.610 20 0 CAADRP CN(C[C@H]1C[NH2+]CCO1)C(=O)CN1CC[NH2+]CC1 ZINC001157715227 779910679 /nfs/dbraw/zinc/91/06/79/779910679.db2.gz CQBJPLMDGXFFRC-LLVKDONJSA-N 2 0 256.350 -1.662 20 0 CAADRP CCNC(=O)CN(C)C(=O)[C@@H]([NH3+])CSCC[NH3+] ZINC001157679035 779910693 /nfs/dbraw/zinc/91/06/93/779910693.db2.gz NBCDWCXKUIXDMM-QMMMGPOBSA-N 2 0 262.379 -1.400 20 0 CAADRP CN(C[C@H]1C[NH2+]CCO1)C(=O)[C@@H]([NH3+])Cc1cnc[nH]1 ZINC001157715343 779910721 /nfs/dbraw/zinc/91/07/21/779910721.db2.gz DRQUIXLMXZDJRX-MNOVXSKESA-N 2 0 267.333 -1.274 20 0 CAADRP CN(C[C@H]1C[NH2+]CCO1)C(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001157715413 779910731 /nfs/dbraw/zinc/91/07/31/779910731.db2.gz DUPNBTFAVZMYJM-MNOVXSKESA-N 3 0 268.361 -1.758 20 0 CAADRP CN(C[C@@H]1C[NH2+]CCO1)C(=O)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001157715416 779910942 /nfs/dbraw/zinc/91/09/42/779910942.db2.gz DUPNBTFAVZMYJM-WDEREUQCSA-N 3 0 268.361 -1.758 20 0 CAADRP CCNC(=O)CN(C)C(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001157679732 779910957 /nfs/dbraw/zinc/91/09/57/779910957.db2.gz YEODRUHTZHYLGI-ZWNOBZJWSA-N 2 0 268.361 -1.220 20 0 CAADRP CN(C[C@H]1C[NH2+]CCO1)C(=O)[C@@H]([NH3+])Cc1cncn1C ZINC001157715211 779911041 /nfs/dbraw/zinc/91/10/41/779911041.db2.gz CIZRASHTJJAMKP-NEPJUHHUSA-N 2 0 281.360 -1.263 20 0 CAADRP CCNC(=O)CN(C)C(=O)[C@H]([NH3+])C1CC[NH2+]CC1 ZINC001157678984 779911067 /nfs/dbraw/zinc/91/10/67/779911067.db2.gz LKOSEHWFNZAYGF-LLVKDONJSA-N 2 0 256.350 -1.092 20 0 CAADRP CN(C[C@@H]1C[NH2+]CCO1)C(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001157721388 779911722 /nfs/dbraw/zinc/91/17/22/779911722.db2.gz XIDIBUXKHVBURG-QWHCGFSZSA-N 3 0 299.419 -1.816 20 0 CAADRP COC(=O)[C@@]1(F)CCN(C(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)C1 ZINC001157716833 779911807 /nfs/dbraw/zinc/91/18/07/779911807.db2.gz TWCDDFFPLHMZDH-NOZJJQNGSA-N 2 0 285.319 -1.091 20 0 CAADRP CN(C[C@H]1C[NH2+]CCO1)C(=O)[C@]1(N)CCC[NH2+]C1 ZINC001157721256 779911943 /nfs/dbraw/zinc/91/19/43/779911943.db2.gz WEENYITXUTVIAB-PWSUYJOCSA-N 2 0 256.350 -1.486 20 0 CAADRP CN(C[C@H]1C[NH2+]CCO1)C(=O)[C@@H]1CCCN1C(=O)C[NH3+] ZINC001157720148 779912021 /nfs/dbraw/zinc/91/20/21/779912021.db2.gz AZBHBPARFCISDQ-MNOVXSKESA-N 2 0 284.360 -1.617 20 0 CAADRP C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N(C)C[C@@H]1C[NH2+]CCO1 ZINC001157721277 779912195 /nfs/dbraw/zinc/91/21/95/779912195.db2.gz WPFUOZJOYQNLCG-GUBZILKMSA-N 2 0 288.348 -2.743 20 0 CAADRP CN(C[C@H]1C[NH2+]CCO1)C(=O)[C@@H]([NH3+])C1CC[NH2+]CC1 ZINC001157721249 779912441 /nfs/dbraw/zinc/91/24/41/779912441.db2.gz WAENXFXKDAFXRP-NEPJUHHUSA-N 3 0 270.377 -1.240 20 0 CAADRP CN(C[C@@H]1C[NH2+]CCO1)C(=O)[C@@H]([NH3+])CC[S@@](C)=O ZINC001157721217 779912572 /nfs/dbraw/zinc/91/25/72/779912572.db2.gz VHJDEJHZDNOPTQ-LXIMFEHMSA-N 2 0 277.390 -1.471 20 0 CAADRP COC(=O)[C@]1(F)CCN(C(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)C1 ZINC001157716842 779912600 /nfs/dbraw/zinc/91/26/00/779912600.db2.gz TWCDDFFPLHMZDH-RNCFNFMXSA-N 2 0 285.319 -1.091 20 0 CAADRP CN(C[C@H]1C[NH2+]CCO1)C(=O)[C@@]1(N)CCC[NH2+]C1 ZINC001157721257 779912806 /nfs/dbraw/zinc/91/28/06/779912806.db2.gz WEENYITXUTVIAB-ZYHUDNBSSA-N 2 0 256.350 -1.486 20 0 CAADRP C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N1CCC[C@H](C[NH3+])[C@H]1C ZINC001157846093 779913437 /nfs/dbraw/zinc/91/34/37/779913437.db2.gz GJGCNELHBYHSIZ-ZDCRXTMVSA-N 2 0 286.376 -1.604 20 0 CAADRP C[C@@H]1[C@H](C[NH3+])CCCN1C(=O)[C@@H]1COC2(C[NH2+]C2)CN1 ZINC001157844295 779913725 /nfs/dbraw/zinc/91/37/25/779913725.db2.gz VUERPRFPDFRZPZ-WOPDTQHZSA-N 2 0 282.388 -1.097 20 0 CAADRP C[C@@H]1CCN(C(=O)[C@H]([NH3+])CCCNC(N)=O)C[C@@H]1[NH3+] ZINC001157799014 779913769 /nfs/dbraw/zinc/91/37/69/779913769.db2.gz JDIIUKCAHOUOKQ-BBBLOLIVSA-N 2 0 271.365 -1.042 20 0 CAADRP C[C@@H]1CCN(C(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)C[C@@H]1[NH3+] ZINC001157799983 779913797 /nfs/dbraw/zinc/91/37/97/779913797.db2.gz WNYNLWGQCFSEKN-MXWKQRLJSA-N 3 0 252.362 -1.009 20 0 CAADRP C[C@@H]1CCN(C(=O)[C@@H]2NC(=O)CC23C[NH2+]C3)C[C@@H]1[NH3+] ZINC001157799754 779913912 /nfs/dbraw/zinc/91/39/12/779913912.db2.gz SBVPCJIEJRKGFA-YWVKMMECSA-N 2 0 266.345 -1.340 20 0 CAADRP C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N1CCC[C@H](C[NH3+])[C@@H]1C ZINC001157846090 779913949 /nfs/dbraw/zinc/91/39/49/779913949.db2.gz GJGCNELHBYHSIZ-MMWGEVLESA-N 2 0 286.376 -1.604 20 0 CAADRP C[C@@H]1CCN(C(=O)[C@H]2COC3(C[NH2+]C3)CN2)C[C@@H]1[NH3+] ZINC001157798643 779914019 /nfs/dbraw/zinc/91/40/19/779914019.db2.gz FJTCSZCFJMRKHE-OUAUKWLOSA-N 2 0 268.361 -1.488 20 0 CAADRP [NH3+]CCC[C@@H]([NH3+])C(=O)N1CC(=O)N(C2CC2)C(=O)C1 ZINC001157854086 779914721 /nfs/dbraw/zinc/91/47/21/779914721.db2.gz ZWJIIPPWMSCWMK-SECBINFHSA-N 2 0 268.317 -1.588 20 0 CAADRP [NH3+]CCSC[C@H]([NH3+])C(=O)N1CC[C@@H](O)[C@H](F)C1 ZINC001157855667 779915316 /nfs/dbraw/zinc/91/53/16/779915316.db2.gz PGUVQSRRSVESJA-HRDYMLBCSA-N 2 0 265.354 -1.063 20 0 CAADRP O=C([C@@H]1C[NH2+]CC12C[NH2+]C2)N1CCCNC(=O)C1 ZINC001157891419 779915971 /nfs/dbraw/zinc/91/59/71/779915971.db2.gz ZDEPKAUCOGPJNO-VIFPVBQESA-N 2 0 252.318 -1.856 20 0 CAADRP O=C([C@H]1C[NH2+]CC12C[NH2+]C2)N1CCCNC(=O)C1 ZINC001157891418 779916114 /nfs/dbraw/zinc/91/61/14/779916114.db2.gz ZDEPKAUCOGPJNO-SECBINFHSA-N 2 0 252.318 -1.856 20 0 CAADRP [NH3+][C@H](C(=O)N1CCCNC(=O)C1)C1CC[NH2+]CC1 ZINC001157888127 779916128 /nfs/dbraw/zinc/91/61/28/779916128.db2.gz CPZBDDJATNWXFK-NSHDSACASA-N 2 0 254.334 -1.338 20 0 CAADRP O=C(N1CC[C@H](CO)[C@@H](O)C1)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001157903348 779916709 /nfs/dbraw/zinc/91/67/09/779916709.db2.gz GACXOXVTPIIZMB-NRWUCQMLSA-N 2 0 283.372 -1.613 20 0 CAADRP [NH3+][C@H](C(=O)N1CC[C@H](CO)[C@@H](O)C1)C1CC[NH2+]CC1 ZINC001157905507 779917903 /nfs/dbraw/zinc/91/79/03/779917903.db2.gz UPZNAWRUUXOAHX-WOPDTQHZSA-N 2 0 271.361 -1.485 20 0 CAADRP C[NH+]1CCN(C(=[NH2+])Nc2ccc(S(N)(=O)=O)nn2)CC1 ZINC001157916016 779917957 /nfs/dbraw/zinc/91/79/57/779917957.db2.gz JZQLNAQIHRTJBV-UHFFFAOYSA-N 2 0 299.360 -1.282 20 0 CAADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CC[C@@H](O)[C@H](CO)C1 ZINC001157934672 779918485 /nfs/dbraw/zinc/91/84/85/779918485.db2.gz NKPUSHYSWOWAIR-GARJFASQSA-N 2 0 259.350 -1.356 20 0 CAADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N1CC[C@H](O)[C@H](CO)C1 ZINC001157934462 779918571 /nfs/dbraw/zinc/91/85/71/779918571.db2.gz KHOWOQZCORBPPZ-SRVKXCTJSA-N 2 0 273.377 -1.095 20 0 CAADRP [NH3+][C@H](C(=O)N1CC[C@H](O)[C@H](CO)C1)C1CC[NH2+]CC1 ZINC001157936101 779918606 /nfs/dbraw/zinc/91/86/06/779918606.db2.gz XOOXXGDFETTXNX-SRVKXCTJSA-N 2 0 271.361 -1.485 20 0 CAADRP O=C(N1CC[C@H](O)[C@@H](CO)C1)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001157934640 779918750 /nfs/dbraw/zinc/91/87/50/779918750.db2.gz NDIMEJZUQJZLFZ-NRWUCQMLSA-N 2 0 283.372 -1.613 20 0 CAADRP O=C([C@@H]1C[NH2+]CC12C[NH2+]C2)N1CC[C@@H](O)[C@H](CO)C1 ZINC001157935350 779918882 /nfs/dbraw/zinc/91/88/82/779918882.db2.gz ULGWPPMVGMUZLT-GARJFASQSA-N 2 0 269.345 -2.003 20 0 CAADRP O=C(N1CC[C@H](O)[C@H](CO)C1)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001157934639 779918951 /nfs/dbraw/zinc/91/89/51/779918951.db2.gz NDIMEJZUQJZLFZ-KZVDOYCCSA-N 2 0 283.372 -1.613 20 0 CAADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CC[C@H](O)[C@H](CO)C1 ZINC001157934671 779919105 /nfs/dbraw/zinc/91/91/05/779919105.db2.gz NKPUSHYSWOWAIR-DCAQKATOSA-N 2 0 259.350 -1.356 20 0 CAADRP C[C@]1(CO)CCN(C(=O)[C@@H]([NH3+])C2CC[NH2+]CC2)C[C@H]1O ZINC001157944207 779919657 /nfs/dbraw/zinc/91/96/57/779919657.db2.gz IQKGXSDTQZECMN-MBNYWOFBSA-N 2 0 285.388 -1.095 20 0 CAADRP C[C@]1(CO)CN(C(=O)[C@H]([NH3+])CCC[NH3+])CC[C@@H]1O ZINC001157945241 779919802 /nfs/dbraw/zinc/91/98/02/779919802.db2.gz LASDFCGQBUJULI-JFGNBEQYSA-N 2 0 259.350 -1.356 20 0 CAADRP C[C@]1(CO)CN(C(=O)[C@@H]([NH3+])CCC[NH3+])CC[C@H]1O ZINC001157945239 779919911 /nfs/dbraw/zinc/91/99/11/779919911.db2.gz LASDFCGQBUJULI-HOSYDEDBSA-N 2 0 259.350 -1.356 20 0 CAADRP C[C@]1(CO)CCN(C(=O)[C@@H]([NH3+])CCC[NH3+])C[C@@H]1O ZINC001157943919 779920105 /nfs/dbraw/zinc/92/01/05/779920105.db2.gz GYQVQKZBJKCRIU-JBLDHEPKSA-N 2 0 259.350 -1.356 20 0 CAADRP C[C@]1(CO)CCN(C(=O)[C@H]([NH3+])CCC[NH3+])C[C@H]1O ZINC001157943917 779920294 /nfs/dbraw/zinc/92/02/94/779920294.db2.gz GYQVQKZBJKCRIU-CKYFFXLPSA-N 2 0 259.350 -1.356 20 0 CAADRP C[C@]1(CO)CN(C(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)CC[C@H]1O ZINC001157945398 779921247 /nfs/dbraw/zinc/92/12/47/779921247.db2.gz LJKLXVQDXZYBNX-DMDPSCGWSA-N 2 0 283.372 -1.613 20 0 CAADRP CCOC(=O)[C@@H]1CNCCN1C(=O)[C@H]([NH3+])CCC[NH3+] ZINC001157998973 779923350 /nfs/dbraw/zinc/92/33/50/779923350.db2.gz LOWUHQQMHZDQMZ-ZJUUUORDSA-N 2 0 272.349 -1.584 20 0 CAADRP CCOC(=O)[C@@H]1CNCCN1C(=O)[C@@H]([NH3+])C1CC[NH2+]CC1 ZINC001157999470 779923554 /nfs/dbraw/zinc/92/35/54/779923554.db2.gz RNVKITYZQKYHCZ-RYUDHWBXSA-N 2 0 298.387 -1.323 20 0 CAADRP CCOC(=O)[C@H]1CNCCN1C(=O)[C@@H]([NH3+])CCC[NH3+] ZINC001157998972 779924043 /nfs/dbraw/zinc/92/40/43/779924043.db2.gz LOWUHQQMHZDQMZ-VHSXEESVSA-N 2 0 272.349 -1.584 20 0 CAADRP O=C(N1CCOC2(CC[NH2+]CC2)C1)[C@]12C[NH2+]C[C@H]1CCN2 ZINC001158070449 779924543 /nfs/dbraw/zinc/92/45/43/779924543.db2.gz IERLIYLQVDXYIR-DOMZBBRYSA-N 2 0 294.399 -1.081 20 0 CAADRP CC(=O)OC[C@H]([NH3+])C(=O)N1CCOC2(CC[NH2+]CC2)C1 ZINC001158070909 779924580 /nfs/dbraw/zinc/92/45/80/779924580.db2.gz RHNWTSGKHJKJDV-NSHDSACASA-N 2 0 285.344 -1.142 20 0 CAADRP CCOC(=O)[C@@H]1CNCCN1C(=O)C[NH2+]CCC[NH3+] ZINC001158006970 779924797 /nfs/dbraw/zinc/92/47/97/779924797.db2.gz OPNZORBRBYWSCJ-JTQLQIEISA-N 2 0 272.349 -1.712 20 0 CAADRP CC(C)(C)N(C[C@@H](O)CO)C(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001158012995 779924889 /nfs/dbraw/zinc/92/48/89/779924889.db2.gz ASYCKRGIFPQYQK-MNOVXSKESA-N 2 0 285.388 -1.224 20 0 CAADRP O=C([C@H]1C[NH2+]CC12C[NH2+]C2)N1CCOC2(CC[NH2+]CC2)C1 ZINC001158070645 779925004 /nfs/dbraw/zinc/92/50/04/779925004.db2.gz LZNRRZCOOWCPBP-GFCCVEGCSA-N 3 0 294.399 -1.224 20 0 CAADRP O=C([C@H]1C[C@@H](O)C[NH2+]1)N1CCOC2(CC[NH2+]CC2)C1 ZINC001158070882 779925091 /nfs/dbraw/zinc/92/50/91/779925091.db2.gz QIOZFVSFIIAQKE-GHMZBOCLSA-N 2 0 269.345 -1.310 20 0 CAADRP COC(=O)[C@@H]1C[C@H](F)CN1C(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001158015574 779925184 /nfs/dbraw/zinc/92/51/84/779925184.db2.gz SXWAHYFLTCUORO-GUBZILKMSA-N 2 0 285.319 -1.093 20 0 CAADRP [NH3+]C[C@@H](O)CC(=O)N1CCOC2(CC[NH2+]CC2)C1 ZINC001158070913 779925289 /nfs/dbraw/zinc/92/52/89/779925289.db2.gz RMKBXWKZYXVNNM-JTQLQIEISA-N 2 0 257.334 -1.323 20 0 CAADRP O=C(N1CC(=O)NC[C@]12CC[NH2+]C2)[C@]12C[NH2+]C[C@H]1CCN2 ZINC001158091737 779925759 /nfs/dbraw/zinc/92/57/59/779925759.db2.gz HNMGKBIKKNFUQW-HONMWMINSA-N 2 0 293.371 -2.372 20 0 CAADRP N[C@H]1C[NH2+]C[C@@H]1C(=O)N1CCOC2(CC[NH2+]CC2)C1 ZINC001158077364 779925829 /nfs/dbraw/zinc/92/58/29/779925829.db2.gz UKIASOXUAWZHMP-QWRGUYRKSA-N 2 0 268.361 -1.486 20 0 CAADRP O=C([C@@H]1C[C@H]2C[NH2+]C[C@H]2N1)N1CC(=O)NC[C@@]12CC[NH2+]C2 ZINC001158091853 779925854 /nfs/dbraw/zinc/92/58/54/779925854.db2.gz JAPFBRXHJDWIFJ-DYNIEEOBSA-N 2 0 293.371 -2.373 20 0 CAADRP [NH3+]CCC[C@@H]([NH3+])C(=O)N1CC(=O)NC[C@]12CC[NH2+]C2 ZINC001158091485 779926141 /nfs/dbraw/zinc/92/61/41/779926141.db2.gz DEESYPGVXBFMNN-BXKDBHETSA-N 3 0 269.349 -2.257 20 0 CAADRP O=C(N1CC(=O)NC[C@@]12CC[NH2+]C2)[C@]12C[NH2+]C[C@@H]1CCN2 ZINC001158091735 779926191 /nfs/dbraw/zinc/92/61/91/779926191.db2.gz HNMGKBIKKNFUQW-BPNCWPANSA-N 2 0 293.371 -2.372 20 0 CAADRP [NH3+][C@@H]1CCC[C@H]1C(=O)N1CC(=O)NC[C@@]12CC[NH2+]C2 ZINC001158093497 779926269 /nfs/dbraw/zinc/92/62/69/779926269.db2.gz VYUZIROIRQAVTN-BREBYQMCSA-N 2 0 266.345 -1.196 20 0 CAADRP C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N1CCC2(CC([NH3+])C2)CC1 ZINC001158091620 779926352 /nfs/dbraw/zinc/92/63/52/779926352.db2.gz FXLRDRAINSQFEE-ONGXEEELSA-N 2 0 298.387 -1.459 20 0 CAADRP [NH3+]CCC[C@H]([NH3+])C(=O)N1CC(=O)NC[C@]12CC[NH2+]C2 ZINC001158091487 779926473 /nfs/dbraw/zinc/92/64/73/779926473.db2.gz DEESYPGVXBFMNN-JOYOIKCWSA-N 3 0 269.349 -2.257 20 0 CAADRP [NH3+]C[C@@H](O)CC(=O)N1CC(=O)NC[C@]12CC[NH2+]C2 ZINC001158091319 779926486 /nfs/dbraw/zinc/92/64/86/779926486.db2.gz AJALYVVNTGMCSE-GZMMTYOYSA-N 2 0 256.306 -2.613 20 0 CAADRP O=C([C@@H]1C[NH2+]C[C@@H]1O)N1CCOC2(CC[NH2+]CC2)C1 ZINC001158076843 779926559 /nfs/dbraw/zinc/92/65/59/779926559.db2.gz NBRBPHWZIBQLMX-MNOVXSKESA-N 2 0 269.345 -1.452 20 0 CAADRP [NH3+][C@@H](CC(F)F)C(=O)N1CC(=O)NC[C@]12CC[NH2+]C2 ZINC001158102382 779926849 /nfs/dbraw/zinc/92/68/49/779926849.db2.gz QOJOLCDYAGUSLF-WRWORJQWSA-N 2 0 276.287 -1.341 20 0 CAADRP [NH3+]CCCC[C@H]([NH3+])CC(=O)N1CC(=O)NC[C@]12CC[NH2+]C2 ZINC001158101542 779926878 /nfs/dbraw/zinc/92/68/78/779926878.db2.gz JRHARJYONRFRBH-SMDDNHRTSA-N 3 0 297.403 -1.477 20 0 CAADRP N[C@]1(C(=O)N2CC(=O)NC[C@@]23CC[NH2+]C3)CC[NH2+]C1 ZINC001158102958 779926931 /nfs/dbraw/zinc/92/69/31/779926931.db2.gz YXIUZMHIRLWMRP-NWDGAFQWSA-N 2 0 267.333 -2.632 20 0 CAADRP O=C([C@H]1[NH2+]CC[C@@H]1O)N1CC(=O)NC[C@]12CC[NH2+]C2 ZINC001158100965 779926974 /nfs/dbraw/zinc/92/69/74/779926974.db2.gz DVGJPACXGZWJGY-PTOFAABTSA-N 2 0 268.317 -2.600 20 0 CAADRP O=C([C@@H]1C[C@H](O)C[NH2+]1)N1CC(=O)NC[C@]12CC[NH2+]C2 ZINC001158100691 779926981 /nfs/dbraw/zinc/92/69/81/779926981.db2.gz ALCIXORVNMPLTP-HOTUBEGUSA-N 2 0 268.317 -2.600 20 0 CAADRP O=C(C[C@H]1COCC[NH2+]1)N1CC(=O)NC[C@@]12CC[NH2+]C2 ZINC001158100698 779927026 /nfs/dbraw/zinc/92/70/26/779927026.db2.gz AUGDSQXVFRFTHR-GWCFXTLKSA-N 2 0 282.344 -1.945 20 0 CAADRP [NH3+]C[C@H](O)CC(=O)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1 ZINC001158111615 779927041 /nfs/dbraw/zinc/92/70/41/779927041.db2.gz PFMDEVAFQLKISI-NOZJJQNGSA-N 2 0 282.344 -2.366 20 0 CAADRP O=C(C=C1CC[NH2+]CC1)N1CC(=O)NC[C@@]12CC[NH2+]C2 ZINC001158102488 779927068 /nfs/dbraw/zinc/92/70/68/779927068.db2.gz SSOGRAKTVBKOEE-AWEZNQCLSA-N 2 0 278.356 -1.013 20 0 CAADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CC(=O)NC[C@]12CC[NH2+]C2 ZINC001158101681 779927099 /nfs/dbraw/zinc/92/70/99/779927099.db2.gz LHWIQAURCZRZQI-GXFFZTMASA-N 3 0 283.376 -1.867 20 0 CAADRP [NH3+][C@H]1CC[C@@H]1C(=O)N1CC(=O)NC[C@@]12CC[NH2+]C2 ZINC001158102881 779927113 /nfs/dbraw/zinc/92/71/13/779927113.db2.gz XFWZECYCWDGVFZ-AUTRQRHGSA-N 2 0 252.318 -1.586 20 0 CAADRP O=C([C@@H]1C[NH2+]C[C@H]1O)N1CC(=O)NC[C@]12CC[NH2+]C2 ZINC001158102675 779927153 /nfs/dbraw/zinc/92/71/53/779927153.db2.gz VEZQLELHOFNGLN-KBVBSXBZSA-N 2 0 268.317 -2.743 20 0 CAADRP N[C@H]1C[NH2+]C[C@@H]1C(=O)N1CC(=O)NC[C@@]12CC[NH2+]C2 ZINC001158102871 779927159 /nfs/dbraw/zinc/92/71/59/779927159.db2.gz WZVWMXINIUJLGT-AUTRQRHGSA-N 2 0 267.333 -2.776 20 0 CAADRP [NH3+][C@@H](C(=O)N1CC(=O)NC[C@]12CC[NH2+]C2)C1CC[NH2+]CC1 ZINC001158101213 779927278 /nfs/dbraw/zinc/92/72/78/779927278.db2.gz HIAPUTPQLANQQG-TZMCWYRMSA-N 3 0 295.387 -1.996 20 0 CAADRP [NH3+][C@@H](CC(F)F)C(=O)N1CC(=O)NC[C@@]12CC[NH2+]C2 ZINC001158102381 779927601 /nfs/dbraw/zinc/92/76/01/779927601.db2.gz QOJOLCDYAGUSLF-CPCISQLKSA-N 2 0 276.287 -1.341 20 0 CAADRP O=C([C@H]1C[C@@H](O)C[NH2+]1)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1 ZINC001158121457 779928126 /nfs/dbraw/zinc/92/81/26/779928126.db2.gz UOGLCPABYMHCLC-GPCCPHFNSA-N 2 0 294.355 -2.353 20 0 CAADRP O=C([C@H]1C[NH2+]CCN1)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1 ZINC001158119938 779928503 /nfs/dbraw/zinc/92/85/03/779928503.db2.gz JONVMEJSHPOBEM-QMTHXVAHSA-N 2 0 293.371 -2.514 20 0 CAADRP [NH3+][C@H]1CN[C@H](C(=O)N2CC3(C[NH2+]C3)[C@@]3(CCNC3=O)C2)C1 ZINC001158119861 779928578 /nfs/dbraw/zinc/92/85/78/779928578.db2.gz IBVJPODOQOAHMR-BFVZDQMLSA-N 2 0 293.371 -2.386 20 0 CAADRP O=C([C@H]1[NH2+]CC[C@@H]1O)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1 ZINC001158119922 779928624 /nfs/dbraw/zinc/92/86/24/779928624.db2.gz JKBUWOVBQNPFOQ-PKFCDNJMSA-N 2 0 294.355 -2.353 20 0 CAADRP O=C(N1CCO[C@@H]2C[NH2+]C[C@@H]2C1)[C@]12C[NH2+]C[C@H]1COC2 ZINC001158166786 779928793 /nfs/dbraw/zinc/92/87/93/779928793.db2.gz DGNJLWZVUUFIDI-CZXHOFHRSA-N 2 0 281.356 -1.331 20 0 CAADRP O=C([C@@H]1C[C@H](O)C[NH2+]1)N1CCO[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001158167519 779929655 /nfs/dbraw/zinc/92/96/55/779929655.db2.gz LANOURKYRUEIGJ-VPOLOUISSA-N 2 0 255.318 -1.844 20 0 CAADRP C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N1CC2CC1(C[NH3+])C2 ZINC001158191653 779929955 /nfs/dbraw/zinc/92/99/55/779929955.db2.gz VPRFIMAKQOKGCV-XPKQFXKASA-N 2 0 270.333 -2.240 20 0 CAADRP [NH3+]CC(=O)N1CCC[C@H]1C(=O)N1CC2CC1(C[NH3+])C2 ZINC001158185710 779929987 /nfs/dbraw/zinc/92/99/87/779929987.db2.gz BRBHBFXYKIZBPV-QUNCOHTASA-N 2 0 266.345 -1.114 20 0 CAADRP [NH3+]CC12CC(C1)CN2C(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001158187592 779930004 /nfs/dbraw/zinc/93/00/04/779930004.db2.gz XZNYJXRJEUHMKB-QUNCOHTASA-N 3 0 250.346 -1.255 20 0 CAADRP [NH3+]CCNC(=O)/C=C/C(=O)N1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001158198208 779930079 /nfs/dbraw/zinc/93/00/79/779930079.db2.gz BLYXXPNOESKVMQ-YBNRLKPGSA-N 2 0 252.318 -1.420 20 0 CAADRP O=C([C@@H]1C[NH2+]C[C@H]1O)N1CCO[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001158178708 779930095 /nfs/dbraw/zinc/93/00/95/779930095.db2.gz ATVRJWWTIALSIH-GWOFURMSSA-N 2 0 255.318 -1.987 20 0 CAADRP O=C(N1CC[C@@H]2[NH2+]CC[C@H]21)[C@@]12C[NH2+]C[C@H]1CCN2 ZINC001158198242 779930222 /nfs/dbraw/zinc/93/02/22/779930222.db2.gz COCPDZNOHRFUCK-LSCVPOLPSA-N 2 0 250.346 -1.099 20 0 CAADRP O=C([C@@H]1C[NH2+]C[C@@H]1O)N1CCO[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001158178706 779930262 /nfs/dbraw/zinc/93/02/62/779930262.db2.gz ATVRJWWTIALSIH-CHWFTXMASA-N 2 0 255.318 -1.987 20 0 CAADRP [NH3+]CC12CC(C1)CN2C(=O)[C@@]12C[NH2+]C[C@H]1CCN2 ZINC001158187437 779930290 /nfs/dbraw/zinc/93/02/90/779930290.db2.gz PSTZVXOZCGIZOO-UTZTVMBJSA-N 2 0 250.346 -1.112 20 0 CAADRP O=C(N1CC[C@@H]2[NH2+]CC[C@H]21)[C@@]12C[NH2+]C[C@@H]1CCN2 ZINC001158198243 779930360 /nfs/dbraw/zinc/93/03/60/779930360.db2.gz COCPDZNOHRFUCK-MEWQQHAOSA-N 2 0 250.346 -1.099 20 0 CAADRP [NH3+][C@H]1CN[C@H](C(=O)N2CCO[C@@H]3C[NH2+]C[C@@H]3C2)C1 ZINC001158179735 779930496 /nfs/dbraw/zinc/93/04/96/779930496.db2.gz MYXVPTWXNGTBCW-CHWFTXMASA-N 2 0 254.334 -1.878 20 0 CAADRP [NH3+]CC12CC(C1)CN2C(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001158191492 779930609 /nfs/dbraw/zinc/93/06/09/779930609.db2.gz SEKIRZGSRIXIMR-KSGYAGIASA-N 3 0 281.404 -1.314 20 0 CAADRP C[S@](=O)CC[C@H]([NH3+])C(=O)N1CCO[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001158179113 779930640 /nfs/dbraw/zinc/93/06/40/779930640.db2.gz IHOGPHFXJMKPSX-KRQBCVNWSA-N 2 0 289.401 -1.471 20 0 CAADRP O=C(N1CC[C@@H]2[NH2+]CC[C@H]21)[C@]12C[NH2+]C[C@H]1CCN2 ZINC001158198244 779930651 /nfs/dbraw/zinc/93/06/51/779930651.db2.gz COCPDZNOHRFUCK-XZUYRWCXSA-N 2 0 250.346 -1.099 20 0 CAADRP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N1CC2CC1(C[NH3+])C2 ZINC001158190874 779930723 /nfs/dbraw/zinc/93/07/23/779930723.db2.gz JVUUBENLHCJNAX-NIPOODMYSA-N 2 0 297.359 -2.357 20 0 CAADRP COC(=O)[C@@]12COC[C@@H]1CN(C(=O)[C@@H]1C[C@@H]([NH3+])CN1)C2 ZINC001158235887 779931084 /nfs/dbraw/zinc/93/10/84/779931084.db2.gz TUDYAMZFWUCYBD-WJZNIJOASA-N 2 0 283.328 -1.676 20 0 CAADRP COC(=O)[C@@]12COC[C@@H]1CN(C(=O)[C@H]([NH3+])CCC[NH3+])C2 ZINC001158235889 779931231 /nfs/dbraw/zinc/93/12/31/779931231.db2.gz TYSUYRPSAUUKSW-CWSCBRNRSA-N 2 0 285.344 -1.299 20 0 CAADRP CS(=O)(=O)N(CC[NH3+])CC(=O)N1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001158208795 779931356 /nfs/dbraw/zinc/93/13/56/779931356.db2.gz XYYNWMSOSDDTAV-VHSXEESVSA-N 2 0 290.389 -1.831 20 0 CAADRP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)N1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001158216278 779931361 /nfs/dbraw/zinc/93/13/61/779931361.db2.gz WVHOOINGNQRASZ-GARJFASQSA-N 2 0 266.345 -1.183 20 0 CAADRP O=C([C@H]1C[NH2+]CC12C[NH2+]C2)N1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001158199182 779931488 /nfs/dbraw/zinc/93/14/88/779931488.db2.gz OTQXCQHFBQAKBG-OUAUKWLOSA-N 3 0 250.346 -1.242 20 0 CAADRP O=C([C@@H]1CCS(=O)(=O)C12C[NH2+]C2)N1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001158199132 779931519 /nfs/dbraw/zinc/93/15/19/779931519.db2.gz NGTKLDOMMPUSFJ-GARJFASQSA-N 2 0 299.396 -1.274 20 0 CAADRP C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001158214622 779931616 /nfs/dbraw/zinc/93/16/16/779931616.db2.gz ANBPLVVOBXRDCA-AATLWQCWSA-N 2 0 270.333 -2.227 20 0 CAADRP O=C([C@@H]1C[C@H]2C[NH2+]C[C@H]2N1)N1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001158199349 779931632 /nfs/dbraw/zinc/93/16/32/779931632.db2.gz VKSHOQDCIGRUSX-KKJSVHSVSA-N 2 0 250.346 -1.101 20 0 CAADRP N[C@@H](C[NH3+])C(=O)N1Cc2ncnn2C2(CC[NH2+]CC2)C1 ZINC001158259933 779932157 /nfs/dbraw/zinc/93/21/57/779932157.db2.gz AEKZXFGZUBQBEE-VIFPVBQESA-N 2 0 279.348 -2.015 20 0 CAADRP O=C([C@H]1C[NH2+]CC12C[NH2+]C2)N1C[C@@H]2CC[NH2+][C@@H]2C1 ZINC001158306400 779932173 /nfs/dbraw/zinc/93/21/73/779932173.db2.gz RYMVNMIELRQARR-HBNTYKKESA-N 3 0 250.346 -1.384 20 0 CAADRP O=C([C@@H]1COC2(C[NH2+]C2)CN1)N1C[C@@H]2CC[NH2+][C@@H]2C1 ZINC001158306564 779932259 /nfs/dbraw/zinc/93/22/59/779932259.db2.gz UITNEZVBTARTHM-AXFHLTTASA-N 2 0 266.345 -1.863 20 0 CAADRP O=C(N1C[C@@H]2CC[NH2+][C@@H]2C1)[C@]12C[NH2+]C[C@@H]1CCN2 ZINC001158305141 779932337 /nfs/dbraw/zinc/93/23/37/779932337.db2.gz DLHNLCVBDDZWNK-KQXIARHKSA-N 2 0 250.346 -1.242 20 0 CAADRP [NH3+]CCC[C@@H]([NH3+])C(=O)N1CCC2(CC1)COCC(=O)N2 ZINC001158327107 779932604 /nfs/dbraw/zinc/93/26/04/779932604.db2.gz RBZXQXRPOOSWAJ-SNVBAGLBSA-N 2 0 284.360 -1.440 20 0 CAADRP NC(=O)NCCC[C@@H]([NH3+])C(=O)N1C[C@@H]2CC[NH2+][C@@H]2C1 ZINC001158306350 779932636 /nfs/dbraw/zinc/93/26/36/779932636.db2.gz QGXBVXNLZKZCAJ-IVZWLZJFSA-N 2 0 269.349 -1.418 20 0 CAADRP O=C([C@H]1COC2(C[NH2+]C2)CN1)N1C[C@@H]2CC[NH2+][C@@H]2C1 ZINC001158306568 779932753 /nfs/dbraw/zinc/93/27/53/779932753.db2.gz UITNEZVBTARTHM-HBNTYKKESA-N 2 0 266.345 -1.863 20 0 CAADRP [NH3+]CC(=O)N1CCC[C@H]1C(=O)N1C[C@@H]2CC[NH2+][C@@H]2C1 ZINC001158306082 779932861 /nfs/dbraw/zinc/93/28/61/779932861.db2.gz NLUSPBHPIDWTNI-AXFHLTTASA-N 2 0 266.345 -1.244 20 0 CAADRP O=C(N1C[C@@H]2CC[NH2+][C@@H]2C1)[C@]12C[NH2+]C[C@H]1CCN2 ZINC001158305144 779932867 /nfs/dbraw/zinc/93/28/67/779932867.db2.gz DLHNLCVBDDZWNK-WGBDABJCSA-N 2 0 250.346 -1.242 20 0 CAADRP N[C@@H](CC[NH3+])C(=O)N1Cc2ncnn2C2(CC[NH2+]CC2)C1 ZINC001158277117 779932906 /nfs/dbraw/zinc/93/29/06/779932906.db2.gz JDSBTADPGYTNRU-JTQLQIEISA-N 2 0 293.375 -1.625 20 0 CAADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N1CCS(=O)(=O)CC1 ZINC001158368728 779933281 /nfs/dbraw/zinc/93/32/81/779933281.db2.gz JLFIBEOSQOMGGW-JTQLQIEISA-N 2 0 277.390 -1.040 20 0 CAADRP [NH3+][C@@H](C(=O)N1CCS(=O)(=O)CC1)C1CC[NH2+]CC1 ZINC001158368730 779933982 /nfs/dbraw/zinc/93/39/82/779933982.db2.gz JPLVHSUCTGITHR-SNVBAGLBSA-N 2 0 275.374 -1.430 20 0 CAADRP C[C@@H]1[C@H](C(=O)NCCC[NH2+]CC(=O)NC(N)=O)CC[N@@H+]1C ZINC001158380647 779933862 /nfs/dbraw/zinc/93/38/62/779933862.db2.gz SLNDYGWOTOGMRW-NXEZZACHSA-N 2 0 299.375 -1.383 20 0 CAADRP O=C(N1CCC[C@@H]2[NH2+]C[C@@H]21)[C@@]12C[NH2+]C[C@H]1CCN2 ZINC001158421437 779934358 /nfs/dbraw/zinc/93/43/58/779934358.db2.gz DSUNNIFIVVRGKB-MPPDQPJWSA-N 2 0 250.346 -1.099 20 0 CAADRP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@@H]2[NH2+]C[C@@H]21 ZINC001158421431 779934456 /nfs/dbraw/zinc/93/44/56/779934456.db2.gz DRLFEKQTCMLQHE-XKNYDFJKSA-N 2 0 297.359 -2.343 20 0 CAADRP NC(=O)NCCC[C@@H]([NH3+])C(=O)N1CCC[C@@H]2[NH2+]C[C@H]21 ZINC001158420905 779934503 /nfs/dbraw/zinc/93/45/03/779934503.db2.gz AKKPLPYSGLYJKB-KXUCPTDWSA-N 2 0 269.349 -1.275 20 0 CAADRP CS(=O)(=O)N(CC[NH3+])CC(=O)N1CCC[C@@H]2[NH2+]C[C@@H]21 ZINC001158423454 779934517 /nfs/dbraw/zinc/93/45/17/779934517.db2.gz OQUAIMSEDCSFIH-UWVGGRQHSA-N 2 0 290.389 -1.831 20 0 CAADRP O=C([C@@H]1C[NH2+]CC12C[NH2+]C2)N1CCC[C@@H]2[NH2+]C[C@H]21 ZINC001158422409 779934530 /nfs/dbraw/zinc/93/45/30/779934530.db2.gz KUFGJIXGBZIGLF-GARJFASQSA-N 3 0 250.346 -1.242 20 0 CAADRP O=C([C@@H]1COC2(C[NH2+]C2)CN1)N1CCC[C@@H]2[NH2+]C[C@@H]21 ZINC001158422819 779934545 /nfs/dbraw/zinc/93/45/45/779934545.db2.gz LVSMUVOJGPIZQS-DCAQKATOSA-N 2 0 266.345 -1.720 20 0 CAADRP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]2[NH2+]C[C@H]21 ZINC001158421430 779934747 /nfs/dbraw/zinc/93/47/47/779934747.db2.gz DRLFEKQTCMLQHE-QCLAVDOMSA-N 2 0 297.359 -2.343 20 0 CAADRP O=C([C@@H]1C[C@H]2C[NH2+]C[C@H]2N1)N1CCC[C@H]2[NH2+]C[C@H]21 ZINC001158421692 779934888 /nfs/dbraw/zinc/93/48/88/779934888.db2.gz FHXIOHLZOOAAGK-RNWYCLNJSA-N 2 0 250.346 -1.101 20 0 CAADRP NC(=O)NCCC[C@@H]([NH3+])C(=O)N1CCC[C@H]2[NH2+]C[C@@H]21 ZINC001158420904 779935125 /nfs/dbraw/zinc/93/51/25/779935125.db2.gz AKKPLPYSGLYJKB-BBBLOLIVSA-N 2 0 269.349 -1.275 20 0 CAADRP [NH3+]CC(=O)N1CCC[C@H]1C(=O)N1CCC[C@@H]2[NH2+]C[C@@H]21 ZINC001158422771 779935154 /nfs/dbraw/zinc/93/51/54/779935154.db2.gz LLAAMLLMUXPLLX-DCAQKATOSA-N 2 0 266.345 -1.101 20 0 CAADRP [NH3+]CC(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]2[NH2+]C[C@@H]21 ZINC001158422774 779935179 /nfs/dbraw/zinc/93/51/79/779935179.db2.gz LLAAMLLMUXPLLX-VWYCJHECSA-N 2 0 266.345 -1.101 20 0 CAADRP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@@H]2[NH2+]C[C@H]21 ZINC001158421416 779935184 /nfs/dbraw/zinc/93/51/84/779935184.db2.gz DRLFEKQTCMLQHE-AATLWQCWSA-N 2 0 297.359 -2.343 20 0 CAADRP [NH3+]CCC[NH2+]CC(=O)N1CC[C@@]23C[NH2+]C[C@@H](C[C@H]2C1)O3 ZINC001158546251 779936574 /nfs/dbraw/zinc/93/65/74/779936574.db2.gz IPPYYUSVOLMOLS-OUCADQQQSA-N 3 0 282.388 -1.096 20 0 CAADRP O=C([C@@H]1C[NH2+]C[C@H]1O)N1CC[C@@]23C[NH2+]C[C@@H](C[C@H]2C1)O3 ZINC001158548714 779936635 /nfs/dbraw/zinc/93/66/35/779936635.db2.gz XJYLTKRDLSITAP-WRYZSIRCSA-N 2 0 281.356 -1.454 20 0 CAADRP [NH3+]C[C@H](O)CC(=O)N1CC[C@@]23C[NH2+]C[C@@H](C[C@@H]2C1)O3 ZINC001158535154 779936694 /nfs/dbraw/zinc/93/66/94/779936694.db2.gz WAVGSUPYNXLATC-PRULPYPASA-N 2 0 269.345 -1.325 20 0 CAADRP O=C([C@@H]1C[NH2+]C[C@H]1O)N1CC[C@@]23C[NH2+]C[C@@H](C[C@@H]2C1)O3 ZINC001158548711 779936708 /nfs/dbraw/zinc/93/67/08/779936708.db2.gz XJYLTKRDLSITAP-CBLPJQPBSA-N 2 0 281.356 -1.454 20 0 CAADRP CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)C[NH2+]CCC[NH3+] ZINC001158497556 779936766 /nfs/dbraw/zinc/93/67/66/779936766.db2.gz BWZVHIVIKWBQKD-SDDRHHMPSA-N 3 0 298.387 -1.323 20 0 CAADRP O=C([C@H]1[NH2+]CC[C@@H]1O)N1CC[C@@]23C[NH2+]C[C@@H](C[C@@H]2C1)O3 ZINC001158544000 779936836 /nfs/dbraw/zinc/93/68/36/779936836.db2.gz AZZRFSIEAFUPAN-VXUPGSCNSA-N 2 0 281.356 -1.311 20 0 CAADRP CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)[C@H]([NH3+])CCC[NH3+] ZINC001158496553 779936843 /nfs/dbraw/zinc/93/68/43/779936843.db2.gz SBTLJOHAOYVMFH-WHOHXGKFSA-N 3 0 298.387 -1.195 20 0 CAADRP O=C([C@H]1[NH2+]CC[C@@H]1O)N1CC[C@@]23C[NH2+]C[C@@H](C[C@H]2C1)O3 ZINC001158544002 779936884 /nfs/dbraw/zinc/93/68/84/779936884.db2.gz AZZRFSIEAFUPAN-XJBAAKRRSA-N 2 0 281.356 -1.311 20 0 CAADRP N[C@@H](CC[NH3+])C(=O)N1CC[C@@]23C[NH2+]C[C@@H](C[C@H]2C1)O3 ZINC001158533232 779936913 /nfs/dbraw/zinc/93/69/13/779936913.db2.gz IVJUWJKPVDOSBZ-SRRSOLGSSA-N 2 0 268.361 -1.358 20 0 CAADRP O=C([C@@H]1C[NH2+]CCN1)N1CC[C@@]23C[NH2+]C[C@@H](C[C@H]2C1)O3 ZINC001158547423 779936925 /nfs/dbraw/zinc/93/69/25/779936925.db2.gz OPWASNSXYQAADB-KZVDOYCCSA-N 2 0 280.372 -1.473 20 0 CAADRP CNC(=O)C[NH2+]CCCNC(=O)[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001158485945 779937011 /nfs/dbraw/zinc/93/70/11/779937011.db2.gz BYPDSNIFEDXWER-RYUDHWBXSA-N 2 0 298.387 -1.309 20 0 CAADRP CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)[C@@H]1C[C@H](O)C[NH2+]1 ZINC001158498666 779937085 /nfs/dbraw/zinc/93/70/85/779937085.db2.gz RXPPTXHOQMXDJC-UHFZAUJKSA-N 2 0 297.355 -1.539 20 0 CAADRP CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)C[C@H](O)C[NH3+] ZINC001158496697 779937134 /nfs/dbraw/zinc/93/71/34/779937134.db2.gz YPCDOODYAMSLKV-XWLWVQCSSA-N 2 0 285.344 -1.552 20 0 CAADRP COCCN1CCN(C(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)CC1 ZINC001158604271 779937925 /nfs/dbraw/zinc/93/79/25/779937925.db2.gz MFHUFUWEAXBCNK-GFCCVEGCSA-N 2 0 282.388 -1.414 20 0 CAADRP CN(C[C@@H](O)CO)C(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001158798830 779938983 /nfs/dbraw/zinc/93/89/83/779938983.db2.gz JLUAUCXMFVELHH-CKYFFXLPSA-N 2 0 257.334 -2.003 20 0 CAADRP CN(C[C@@H](O)CO)C(=O)[C@@H]([NH3+])CCCC[NH+](C)C ZINC001158797858 779939301 /nfs/dbraw/zinc/93/93/01/779939301.db2.gz CKQJNWUAIZFETL-MNOVXSKESA-N 2 0 261.366 -1.143 20 0 CAADRP CN1CCO[C@H]2CN(C(=O)[C@@H]([NH3+])C3CC[NH2+]CC3)C[C@H]21 ZINC001158803549 779940036 /nfs/dbraw/zinc/94/00/36/779940036.db2.gz HJVYNMFAEOSKDC-AGIUHOORSA-N 2 0 282.388 -1.145 20 0 CAADRP CN1CCO[C@H]2CN(C(=O)[C@@H]3C[NH2+]CC34C[NH2+]C4)C[C@H]21 ZINC001158804601 779940139 /nfs/dbraw/zinc/94/01/39/779940139.db2.gz SSOPFPIQJATLBK-TUAOUCFPSA-N 2 0 280.372 -1.663 20 0 CAADRP CN(C[C@H](O)CO)C(=O)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001158799868 779940588 /nfs/dbraw/zinc/94/05/88/779940588.db2.gz PXOQTLJDLGYOJZ-QWRGUYRKSA-N 2 0 271.361 -1.328 20 0 CAADRP CN1CCO[C@H]2CN(C(=O)[C@]34C[NH2+]C[C@H]3C[NH2+]CC4)C[C@H]21 ZINC001158803879 779940605 /nfs/dbraw/zinc/94/06/05/779940605.db2.gz JHCKPJKQQQVLGT-GUIRCDHDSA-N 2 0 294.399 -1.273 20 0 CAADRP CN(C[C@@H](O)CO)C(=O)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001158799863 779940666 /nfs/dbraw/zinc/94/06/66/779940666.db2.gz PXOQTLJDLGYOJZ-GHMZBOCLSA-N 2 0 271.361 -1.328 20 0 CAADRP CN1CCO[C@H]2CN(C(=O)[C@@H]([NH3+])CCCC[NH3+])C[C@H]21 ZINC001158803943 779940684 /nfs/dbraw/zinc/94/06/84/779940684.db2.gz JXGMEAUNUXWGCC-TUAOUCFPSA-N 2 0 270.377 -1.016 20 0 CAADRP OC[C@@H]1C[NH2+]C[C@@H]1Nc1cncc(N2CC[NH2+]CC2)n1 ZINC001159680213 779949790 /nfs/dbraw/zinc/94/97/90/779949790.db2.gz YOVKFDLAVSVFEK-QWRGUYRKSA-N 2 0 278.360 -1.122 20 0 CAADRP OC[C@H]1C[NH2+]C[C@H]1Nc1cncc(N2CC[NH2+]CC2)n1 ZINC001159680211 779949959 /nfs/dbraw/zinc/94/99/59/779949959.db2.gz YOVKFDLAVSVFEK-GHMZBOCLSA-N 2 0 278.360 -1.122 20 0 CAADRP CN1C[C@@H]2CN(C(=O)[C@@H]([NH3+])CSCC[NH3+])C[C@@H]2C1=O ZINC001159886493 779952318 /nfs/dbraw/zinc/95/23/18/779952318.db2.gz MJJVUFKOOIJSLO-UTLUCORTSA-N 2 0 286.401 -1.448 20 0 CAADRP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2C(=O)[C@H]1C[C@@H](O)C[NH2+]1 ZINC001159929547 779952727 /nfs/dbraw/zinc/95/27/27/779952727.db2.gz HGOUEOJBCGWYIY-YIYPIFLZSA-N 2 0 296.415 -1.054 20 0 CAADRP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2C(=O)[C@@H](N)C[NH3+] ZINC001159930724 779952754 /nfs/dbraw/zinc/95/27/54/779952754.db2.gz WJGCDWQTIIGWQX-SDDRHHMPSA-N 2 0 269.393 -1.491 20 0 CAADRP C[NH+](C)[C@H](C(=O)NCCC[NH2+]CC(N)=O)C1CC1 ZINC001159916786 779952951 /nfs/dbraw/zinc/95/29/51/779952951.db2.gz SMYLQTOBNKHYNP-NSHDSACASA-N 2 0 256.350 -1.092 20 0 CAADRP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2C(=O)[C@H]1C[NH2+]C[C@@H]1O ZINC001159930796 779952976 /nfs/dbraw/zinc/95/29/76/779952976.db2.gz XRKACXXDYSGSNY-FQUUOJAGSA-N 2 0 296.415 -1.197 20 0 CAADRP CN1C[C@@H]2CN(C(=O)[C@@H]3C[NH2+]CC34C[NH2+]C4)C[C@@H]2C1=O ZINC001159886245 779953299 /nfs/dbraw/zinc/95/32/99/779953299.db2.gz LGTUPFRPTUMIDE-VWYCJHECSA-N 2 0 278.356 -1.658 20 0 CAADRP N[C@@]1(C(=O)N2C[C@@H]3C[N@@H+](CC4CC4)C[C@H](C2)O3)CC[NH2+]C1 ZINC001160155211 779956460 /nfs/dbraw/zinc/95/64/60/779956460.db2.gz GPPMEDMUXFFJNF-GUTXKFCHSA-N 2 0 294.399 -1.001 20 0 CAADRP C[C@@H]1C(=O)NCCN1C(=O)[C@@H]([NH3+])CSCC[NH3+] ZINC001160450377 779959870 /nfs/dbraw/zinc/95/98/70/779959870.db2.gz DLMYHVMPESZNBX-SFYZADRCSA-N 2 0 260.363 -1.648 20 0 CAADRP NC(=O)N1CCN(C(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)CC1 ZINC001160456730 779960711 /nfs/dbraw/zinc/96/07/11/779960711.db2.gz PYDUSLOIYKKGPE-LLVKDONJSA-N 2 0 298.391 -2.040 20 0 CAADRP C[C@@H]1C(=O)NCCN1C(=O)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001160451396 779961178 /nfs/dbraw/zinc/96/11/78/779961178.db2.gz NQOXWPRFVXMUCS-RKDXNWHRSA-N 2 0 252.318 -1.858 20 0 CAADRP C[NH2+]CC1CCN(C(=O)[C@@H]2COC3(C[NH2+]C3)CN2)CC1 ZINC001160456305 779961426 /nfs/dbraw/zinc/96/14/26/779961426.db2.gz GQBKLFLDXRYWCB-LBPRGKRZSA-N 2 0 282.388 -1.225 20 0 CAADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N1CCN(C(N)=O)CC1 ZINC001160456340 779961490 /nfs/dbraw/zinc/96/14/90/779961490.db2.gz ILQIJJJOAHAPHZ-JTQLQIEISA-N 2 0 271.365 -1.074 20 0 CAADRP NC(=O)N1CCN(C(=O)[C@@H]([NH3+])CSCC[NH3+])CC1 ZINC001160456712 779961495 /nfs/dbraw/zinc/96/14/95/779961495.db2.gz PJPAPBWBBPGCJU-QMMMGPOBSA-N 2 0 275.378 -1.772 20 0 CAADRP NC(=O)N1CCN(C(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)CC1 ZINC001160456122 779961680 /nfs/dbraw/zinc/96/16/80/779961680.db2.gz CELLJSKLVQIIEZ-VIFPVBQESA-N 2 0 267.333 -1.982 20 0 CAADRP [NH3+][C@H]1CN[C@H](C(=O)N2CC[NH+](C3CCOCC3)CC2)C1 ZINC001160490947 779962428 /nfs/dbraw/zinc/96/24/28/779962428.db2.gz NHGJVKVTMSZCSK-YPMHNXCESA-N 2 0 282.388 -1.001 20 0 CAADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)N1CCC2(C1)OCCO2 ZINC001160471477 779962577 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NC(=O)[C@@H]1CCN(C(=O)[C@@H]([NH3+])CSCC[NH3+])C1 ZINC001160548657 779965088 /nfs/dbraw/zinc/96/50/88/779965088.db2.gz HJBSJSCLMTXJNW-SFYZADRCSA-N 2 0 260.363 -1.661 20 0 CAADRP COC(=O)CN1CCN(C(=O)[C@H]([NH3+])C2CC[NH2+]CC2)CC1 ZINC001160530975 779965185 /nfs/dbraw/zinc/96/51/85/779965185.db2.gz CUJFXGRAICSIBO-CYBMUJFWSA-N 2 0 298.387 -1.370 20 0 CAADRP N=c1nc([C@@H]2CCC[NH2+]2)ccn1C(=O)CNCC[NH3+] ZINC001160541773 779965447 /nfs/dbraw/zinc/96/54/47/779965447.db2.gz HOAVRYACNWWNTJ-VIFPVBQESA-N 2 0 264.333 -1.024 20 0 CAADRP N=c1nc([C@@H]2CCC[NH2+]2)ccn1C(=O)[C@@H]1C[NH2+]CCN1 ZINC001160542578 779965522 /nfs/dbraw/zinc/96/55/22/779965522.db2.gz ZRHLZVZLCJGIPM-ONGXEEELSA-N 2 0 276.344 -1.011 20 0 CAADRP CN(C(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1)C1COC1 ZINC001160542479 779965693 /nfs/dbraw/zinc/96/56/93/779965693.db2.gz YFAFYGOMSRCDLF-LLVKDONJSA-N 2 0 256.350 -1.406 20 0 CAADRP NC(=O)[C@@H]1CCN(C(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)C1 ZINC001160549740 779967050 /nfs/dbraw/zinc/96/70/50/779967050.db2.gz WZMFQBWLZWVBEQ-KOLCDFICSA-N 2 0 283.376 -1.929 20 0 CAADRP NC(=O)[C@@H]1CCN(C(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)C1 ZINC001160549059 779967101 /nfs/dbraw/zinc/96/71/01/779967101.db2.gz NABDOGRSQCNIBR-RKDXNWHRSA-N 2 0 252.318 -1.871 20 0 CAADRP CCOC(=O)[C@@H]1CN(C(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)CCO1 ZINC001160596132 779968009 /nfs/dbraw/zinc/96/80/09/779968009.db2.gz CPKSVUBXORQPPN-QWRGUYRKSA-N 2 0 297.355 -1.414 20 0 CAADRP COC(=O)C[C@@H]1CN(C(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)CCO1 ZINC001160596911 779968131 /nfs/dbraw/zinc/96/81/31/779968131.db2.gz XCXRMIITWQQHRM-MNOVXSKESA-N 2 0 297.355 -1.414 20 0 CAADRP COC(=O)C[C@@H]1CN(C(=O)[C@@H]([NH3+])CCC[NH3+])CCO1 ZINC001160596203 779968198 /nfs/dbraw/zinc/96/81/98/779968198.db2.gz LTHGDHGQKJFEGI-ZJUUUORDSA-N 2 0 273.333 -1.157 20 0 CAADRP CCOC(=O)[C@H]1CN(C(=O)[C@H]([NH3+])CCC[NH3+])CCO1 ZINC001160596147 779968419 /nfs/dbraw/zinc/96/84/19/779968419.db2.gz DAAGMBZXSFYHEX-NXEZZACHSA-N 2 0 273.333 -1.157 20 0 CAADRP CCOC(=O)[C@@H]1CN(C(=O)[C@@H]([NH3+])CCC[NH3+])CCO1 ZINC001160596148 779968709 /nfs/dbraw/zinc/96/87/09/779968709.db2.gz DAAGMBZXSFYHEX-UWVGGRQHSA-N 2 0 273.333 -1.157 20 0 CAADRP COC(=O)C[C@H]1CN(C(=O)[C@@H]([NH3+])CCC[NH3+])CCO1 ZINC001160596201 779968767 /nfs/dbraw/zinc/96/87/67/779968767.db2.gz LTHGDHGQKJFEGI-UWVGGRQHSA-N 2 0 273.333 -1.157 20 0 CAADRP [NH3+]CCCC[C@H]([NH3+])CC(=O)N1CC(N2CCNC(=O)C2)C1 ZINC001160635818 779969512 /nfs/dbraw/zinc/96/95/12/779969512.db2.gz DKFLHJOQSSUQAZ-NSHDSACASA-N 2 0 297.403 -1.525 20 0 CAADRP O=C([C@@H]1C[NH2+]CC12C[NH2+]C2)N1CCN(CCF)CC1 ZINC001160628436 779969757 /nfs/dbraw/zinc/96/97/57/779969757.db2.gz DHKSIWHVWJHIOZ-NSHDSACASA-N 2 0 270.352 -1.091 20 0 CAADRP [NH3+][C@@H](C(=O)N1CC(N2CCNC(=O)C2)C1)C1CC[NH2+]CC1 ZINC001160637434 779970690 /nfs/dbraw/zinc/97/06/90/779970690.db2.gz PVNKHSYKCUDARQ-CYBMUJFWSA-N 2 0 295.387 -2.044 20 0 CAADRP [NH3+]CCC[C@@H]([NH3+])C(=O)N1CC(N2CCNC(=O)C2)C1 ZINC001160636533 779970704 /nfs/dbraw/zinc/97/07/04/779970704.db2.gz JEUNCTLKYHCIEZ-SNVBAGLBSA-N 2 0 269.349 -2.305 20 0 CAADRP [NH3+]C[C@H]1CN(C(=O)[C@@]23C[NH2+]C[C@H]2CCN3)CCO1 ZINC001160643807 779972144 /nfs/dbraw/zinc/97/21/44/779972144.db2.gz NRJFXLLCKVMGEG-JFGNBEQYSA-N 2 0 254.334 -1.876 20 0 CAADRP [NH3+]C[C@H]1CN(C(=O)[C@@]23C[NH2+]C[C@@H]2CCN3)CCO1 ZINC001160643804 779972322 /nfs/dbraw/zinc/97/23/22/779972322.db2.gz NRJFXLLCKVMGEG-JBLDHEPKSA-N 2 0 254.334 -1.876 20 0 CAADRP NC(=O)NCCC[C@@H]([NH3+])C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC001160644305 779972364 /nfs/dbraw/zinc/97/23/64/779972364.db2.gz YPOZCTPQCCTELF-DTWKUNHWSA-N 2 0 273.337 -2.052 20 0 CAADRP O=C([C@@H]1C[NH2+]CC12C[NH2+]C2)N1CCN2C(=O)OC[C@H]2C1 ZINC001160641276 779972424 /nfs/dbraw/zinc/97/24/24/779972424.db2.gz ZZJDPNKZVRSZEY-ZJUUUORDSA-N 2 0 280.328 -1.542 20 0 CAADRP CS(=O)(=O)N(CC[NH3+])CC(=O)N1CCO[C@@H](C[NH3+])C1 ZINC001160644306 779972463 /nfs/dbraw/zinc/97/24/63/779972463.db2.gz YPZUTMOGOFDLJI-VIFPVBQESA-N 2 0 294.377 -2.607 20 0 CAADRP C[NH+](C)C1(C)CN(C(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)C1 ZINC001160644528 779972496 /nfs/dbraw/zinc/97/24/96/779972496.db2.gz FSLJKJINVLENFH-LBPRGKRZSA-N 3 0 283.420 -1.101 20 0 CAADRP [NH3+][C@@H]1CCN(C(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)C[C@@H]1F ZINC001160647328 779973502 /nfs/dbraw/zinc/97/35/02/779973502.db2.gz HCRXXKMAPGMLIY-KXUCPTDWSA-N 3 0 256.325 -1.307 20 0 CAADRP [NH3+][C@@H]1CCN(C(=O)[C@@H]2COC3(C[NH2+]C3)CN2)C[C@@H]1F ZINC001160648931 779973697 /nfs/dbraw/zinc/97/36/97/779973697.db2.gz HXYMYTHGVFCHGR-AEJSXWLSSA-N 2 0 272.324 -1.786 20 0 CAADRP CN(CC1COC1)C(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001160647574 779973777 /nfs/dbraw/zinc/97/37/77/779973777.db2.gz NZTRXESVRZKHBD-LBPRGKRZSA-N 2 0 270.377 -1.158 20 0 CAADRP [NH3+]CCSC[C@H]([NH3+])C(=O)N1CC[C@@H]([NH3+])[C@@H](F)C1 ZINC001160648467 779973864 /nfs/dbraw/zinc/97/38/64/779973864.db2.gz DPXYGFFPPKSDJI-YIZRAAEISA-N 3 0 264.370 -1.097 20 0 CAADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)N1CC[C@@H]([NH3+])[C@@H](F)C1 ZINC001160650209 779973942 /nfs/dbraw/zinc/97/39/42/779973942.db2.gz SXENOBQJNVBZAS-TUAOUCFPSA-N 3 0 287.383 -1.366 20 0 CAADRP [NH3+]C[C@H]1CN(C(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)CCO1 ZINC001160646436 779973948 /nfs/dbraw/zinc/97/39/48/779973948.db2.gz ZAEOWXZCOKENMM-RYUDHWBXSA-N 3 0 285.392 -2.077 20 0 CAADRP [NH3+][C@@H]1CCN(C(=O)[C@H]2CCCN([C@@H]3CC[NH2+]C3)C2)C[C@H]1O ZINC001160652727 779973969 /nfs/dbraw/zinc/97/39/69/779973969.db2.gz JTDDAOLAFBUPFB-REWJHTLYSA-N 2 0 296.415 -1.019 20 0 CAADRP Cn1cncc1C[C@H]([NH3+])C(=O)N1CC[C@@H]([NH3+])[C@H](O)C1 ZINC001160652719 779974028 /nfs/dbraw/zinc/97/40/28/779974028.db2.gz JKWHPUUGQRFLBI-OUAUKWLOSA-N 2 0 267.333 -1.790 20 0 CAADRP [NH3+][C@@H]1CCN(C(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)C[C@@H]1F ZINC001160647329 779974058 /nfs/dbraw/zinc/97/40/58/779974058.db2.gz HCRXXKMAPGMLIY-LPEHRKFASA-N 3 0 256.325 -1.307 20 0 CAADRP [NH3+][C@@H]1CCN(C(=O)CNC2CC[NH2+]CC2)C[C@H]1O ZINC001160652779 779974196 /nfs/dbraw/zinc/97/41/96/779974196.db2.gz LLRKAQIWBVYGFG-GHMZBOCLSA-N 2 0 256.350 -1.752 20 0 CAADRP [NH3+][C@@H]1CCN(C(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3N2)C[C@@H]1F ZINC001160649416 779974215 /nfs/dbraw/zinc/97/42/15/779974215.db2.gz KPNCOCRWOGXKOI-QUARPLMYSA-N 2 0 256.325 -1.166 20 0 CAADRP [NH3+][C@@H]1CCN(C(=O)[C@@H]2C[C@@H]3CC[NH2+]C[C@H]3O2)C[C@H]1O ZINC001160652778 779974267 /nfs/dbraw/zinc/97/42/67/779974267.db2.gz LICPLMDFYSIPKP-MTVMDMGHSA-N 2 0 269.345 -1.326 20 0 CAADRP [NH3+][C@H](Cc1cnc[nH]1)C(=O)N1CC[C@@H]([NH3+])[C@H](O)C1 ZINC001160652407 779974312 /nfs/dbraw/zinc/97/43/12/779974312.db2.gz DGMFYSLTSMUBHF-OPRDCNLKSA-N 2 0 253.306 -1.800 20 0 CAADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)N1CC[C@@H]([NH3+])[C@H](O)C1 ZINC001160656532 779974942 /nfs/dbraw/zinc/97/49/42/779974942.db2.gz YMXYWFCQAQFDSQ-GRYCIOLGSA-N 3 0 285.392 -2.343 20 0 CAADRP CS(=O)(=O)NC1CN(C(=O)[C@@H]([NH3+])C2CC[NH2+]CC2)C1 ZINC001160660255 779975171 /nfs/dbraw/zinc/97/51/71/779975171.db2.gz GYCKWCHCEOJVGP-JTQLQIEISA-N 2 0 290.389 -1.927 20 0 CAADRP [NH3+][C@@H]1CCN(C(=O)[C@@H]2CCC3(CC[NH2+]CC3)[NH2+]2)C[C@H]1O ZINC001160652947 779975430 /nfs/dbraw/zinc/97/54/30/779975430.db2.gz RMMQYUXMTROTDQ-GRYCIOLGSA-N 3 0 282.388 -1.219 20 0 CAADRP CS(=O)(=O)NC1CN(C(=O)[C@@H]([NH3+])CCC[NH3+])C1 ZINC001160657030 779975505 /nfs/dbraw/zinc/97/55/05/779975505.db2.gz CECUYJKFHMNKHR-QMMMGPOBSA-N 2 0 264.351 -2.187 20 0 CAADRP [NH3+]CC(=O)N1CCC[C@H]1C(=O)N1CC[C@@H]([NH3+])[C@H](O)C1 ZINC001160655150 779975693 /nfs/dbraw/zinc/97/56/93/779975693.db2.gz HQRKCFCXEDJMKU-KXUCPTDWSA-N 2 0 270.333 -2.143 20 0 CAADRP CS(=O)(=O)NC1CN(C(=O)[C@H]([NH3+])C2CC[NH2+]CC2)C1 ZINC001160660257 779975788 /nfs/dbraw/zinc/97/57/88/779975788.db2.gz GYCKWCHCEOJVGP-SNVBAGLBSA-N 2 0 290.389 -1.927 20 0 CAADRP NC(=O)[C@H]1CN(C(=O)[C@@H]([NH3+])CSCC[NH3+])CCO1 ZINC001160703383 779976271 /nfs/dbraw/zinc/97/62/71/779976271.db2.gz DHDOMKZHQDNHIH-JGVFFNPUSA-N 2 0 276.362 -2.282 20 0 CAADRP C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N(C)CC[NH+]1CCCC1 ZINC001160689552 779976318 /nfs/dbraw/zinc/97/63/18/779976318.db2.gz YMKNEYBMFPFYPO-QWRGUYRKSA-N 2 0 286.376 -1.635 20 0 CAADRP CN(C(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1)C1(C)COC1 ZINC001160667072 779976500 /nfs/dbraw/zinc/97/65/00/779976500.db2.gz DWYIEWVZEMLBJD-LLVKDONJSA-N 2 0 270.377 -1.016 20 0 CAADRP CN(C[C@@H]1CCC[NH2+]C1)C(=O)[C@@H]1COC2(C[NH2+]C2)CN1 ZINC001160696734 779976541 /nfs/dbraw/zinc/97/65/41/779976541.db2.gz YYVRJMRRUKIYHB-NEPJUHHUSA-N 2 0 282.388 -1.225 20 0 CAADRP C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N(C)C[C@H]1CCC[NH2+]C1 ZINC001160697636 779976547 /nfs/dbraw/zinc/97/65/47/779976547.db2.gz BNWVSGZKZYKSLY-DCAQKATOSA-N 2 0 286.376 -1.731 20 0 CAADRP NC(=O)[C@@H]1CN(C(=O)[C@@H]([NH3+])CSCC[NH3+])CCO1 ZINC001160703384 779977267 /nfs/dbraw/zinc/97/72/67/779977267.db2.gz DHDOMKZHQDNHIH-YUMQZZPRSA-N 2 0 276.362 -2.282 20 0 CAADRP C[N@H+]1C[C@H]2CN(C(=O)[C@H]3C[NH2+]CC34C[NH2+]C4)C[C@H]2C1 ZINC001160705630 779978038 /nfs/dbraw/zinc/97/80/38/779978038.db2.gz YAZAHESRHYGGPV-GRYCIOLGSA-N 3 0 264.373 -1.185 20 0 CAADRP NC(=O)[C@@H]1CN(C(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)CCO1 ZINC001160705329 779978138 /nfs/dbraw/zinc/97/81/38/779978138.db2.gz VIBQTBUIHUDXAY-MNOVXSKESA-N 2 0 299.375 -2.551 20 0 CAADRP NC(=O)[C@@H]1CN(C(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)CCO1 ZINC001160704878 779978458 /nfs/dbraw/zinc/97/84/58/779978458.db2.gz PUTNLUUBAJWYTC-IUCAKERBSA-N 2 0 268.317 -2.492 20 0 CAADRP NC(=O)[C@H]1CN(C(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)CCO1 ZINC001160705328 779978469 /nfs/dbraw/zinc/97/84/69/779978469.db2.gz VIBQTBUIHUDXAY-GHMZBOCLSA-N 2 0 299.375 -2.551 20 0 CAADRP NC(=O)[C@H]1CN(C(=O)[C@@H]([NH3+])CCCC[NH3+])CCO1 ZINC001160704863 779978995 /nfs/dbraw/zinc/97/89/95/779978995.db2.gz PRINCDXBCWJTJP-DTWKUNHWSA-N 2 0 258.322 -1.845 20 0 CAADRP [NH3+][C@H](C(=O)N1CCN2C(=O)COC[C@@H]2C1)C1CC[NH2+]CC1 ZINC001160789791 779981330 /nfs/dbraw/zinc/98/13/30/779981330.db2.gz FVVGODBTZMCBSO-AAEUAGOBSA-N 2 0 296.371 -1.617 20 0 CAADRP [NH3+]CCC[C@@H]([NH3+])C(=O)N1CCN2C(=O)COC[C@@H]2C1 ZINC001160789356 779981513 /nfs/dbraw/zinc/98/15/13/779981513.db2.gz BJWJMVWQSZMQJR-VHSXEESVSA-N 2 0 270.333 -1.878 20 0 CAADRP [NH3+]CCC[C@@H]([NH3+])C(=O)N1CCN2C(=O)COC[C@H]2C1 ZINC001160789352 779981575 /nfs/dbraw/zinc/98/15/75/779981575.db2.gz BJWJMVWQSZMQJR-NXEZZACHSA-N 2 0 270.333 -1.878 20 0 CAADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCN2C(=O)COC[C@@H]2C1 ZINC001160790209 779981605 /nfs/dbraw/zinc/98/16/05/779981605.db2.gz LEFDULUQUWLBFO-QWRGUYRKSA-N 2 0 284.360 -1.488 20 0 CAADRP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(C(=O)[C@@H](O)C[NH3+])C[C@H]1C2 ZINC001160794083 779982025 /nfs/dbraw/zinc/98/20/25/779982025.db2.gz KNZJIBHGEOGEMR-TUYISWAISA-N 2 0 297.355 -1.837 20 0 CAADRP CCOC(=O)[C@]12CN(C(=O)[C@@H](O)C[NH3+])C[C@H]1C[NH2+]CC2 ZINC001160813149 779982155 /nfs/dbraw/zinc/98/21/55/779982155.db2.gz VIGYOEZHSIXQBV-GBIKHYSHSA-N 2 0 285.344 -1.693 20 0 CAADRP CCOC(=O)[C@]12CN(C(=O)[C@@H]([NH3+])[C@@H](C)O)C[C@H]1C[NH2+]CC2 ZINC001160806633 779982585 /nfs/dbraw/zinc/98/25/85/779982585.db2.gz VIPLWCHUQJZZOZ-NJBDSQKTSA-N 2 0 299.371 -1.304 20 0 CAADRP CCOC(=O)[C@]12CN(C(=O)[C@@H]([NH3+])COC)C[C@H]1C[NH2+]CC2 ZINC001160811675 779982625 /nfs/dbraw/zinc/98/26/25/779982625.db2.gz SYMBJKRGDDMHRJ-UHIISALHSA-N 2 0 299.371 -1.039 20 0 CAADRP O=C([C@H]1C[NH2+]CC12C[NH2+]C2)N1CCN2C(=O)COC[C@H]2C1 ZINC001160791207 779982697 /nfs/dbraw/zinc/98/26/97/779982697.db2.gz ZHCCAMKTSODFNM-GHMZBOCLSA-N 2 0 294.355 -2.135 20 0 CAADRP C[NH+](C)C[C@@H]1COCCN1C(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001160837087 779982832 /nfs/dbraw/zinc/98/28/32/779982832.db2.gz BGFYPDVOIGHRPY-NEPJUHHUSA-N 3 0 282.388 -1.416 20 0 CAADRP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(C(=O)[C@@H](N)C[NH3+])C[C@H]1C2 ZINC001160791895 779982995 /nfs/dbraw/zinc/98/29/95/779982995.db2.gz HGVOCQGZAJJUGC-TUYISWAISA-N 2 0 296.371 -1.871 20 0 CAADRP C[NH+](C)C[C@H]1COCCN1C(=O)[C@H]1[NH2+]CC[C@@H]1O ZINC001160839173 779983549 /nfs/dbraw/zinc/98/35/49/779983549.db2.gz OABNPFDIDUYTPZ-DCAQKATOSA-N 2 0 257.334 -1.502 20 0 CAADRP C[NH+](C)C[C@@H]1COCCN1C(=O)[C@@]12CC[C@@H](N1)[C@H]([NH3+])C2 ZINC001160839228 779983740 /nfs/dbraw/zinc/98/37/40/779983740.db2.gz RMMIAAWRWLFCLI-BYNQJWBRSA-N 2 0 282.388 -1.003 20 0 CAADRP CC(=O)OC[C@H]([NH3+])C(=O)N1CCOC[C@@H]1C[NH+](C)C ZINC001160837133 779983868 /nfs/dbraw/zinc/98/38/68/779983868.db2.gz CGFRNHCEMMKKMH-QWRGUYRKSA-N 2 0 273.333 -1.334 20 0 CAADRP C[NH+](C)C[C@@H]1COCCN1C(=O)[C@@]1(N)CC[NH2+]C1 ZINC001160837919 779983986 /nfs/dbraw/zinc/98/39/86/779983986.db2.gz FTDZRDSPRCDODE-ZYHUDNBSSA-N 2 0 256.350 -1.534 20 0 CAADRP C[NH+](C)C[C@@H]1COCCN1C(=O)[C@]12C[NH2+]C[C@@H]1CCN2 ZINC001160837207 779984123 /nfs/dbraw/zinc/98/41/23/779984123.db2.gz FIJKSGZWOWVPJN-SCRDCRAPSA-N 2 0 282.388 -1.273 20 0 CAADRP C[NH+](C)C[C@@H]1COCCN1C(=O)[C@@H]1C[C@@H]([NH3+])CN1 ZINC001160839049 779984131 /nfs/dbraw/zinc/98/41/31/779984131.db2.gz MTXVBELOTPAEJP-MXWKQRLJSA-N 2 0 256.350 -1.535 20 0 CAADRP C[NH+](C)C[C@@H]1COCCN1C(=O)[C@@]12C[NH2+]C[C@@H]1CCN2 ZINC001160837206 779984196 /nfs/dbraw/zinc/98/41/96/779984196.db2.gz FIJKSGZWOWVPJN-OUCADQQQSA-N 2 0 282.388 -1.273 20 0 CAADRP C[NH+](C)C[C@H]1COCCN1C(=O)[C@@H]1C[C@@H]([NH3+])CN1 ZINC001160839063 779984208 /nfs/dbraw/zinc/98/42/08/779984208.db2.gz MTXVBELOTPAEJP-VWYCJHECSA-N 2 0 256.350 -1.535 20 0 CAADRP C[NH+](C)C[C@H]1COCCN1C(=O)[C@@]1(N)CCC[NH2+]C1 ZINC001160838580 779984246 /nfs/dbraw/zinc/98/42/46/779984246.db2.gz KDWDWMSKLDINIA-WCQYABFASA-N 2 0 270.377 -1.144 20 0 CAADRP C[NH+](C)C[C@@H]1COCCN1C(=O)[C@H]([NH3+])CCC[NH3+] ZINC001160837249 779984257 /nfs/dbraw/zinc/98/42/57/779984257.db2.gz GQKQPXIGZXERFL-GHMZBOCLSA-N 3 0 258.366 -1.158 20 0 CAADRP COC(=O)[C@H]1CN(C(=O)[C@@H]([NH3+])CCC[NH3+])CCN1C ZINC001160871030 779985017 /nfs/dbraw/zinc/98/50/17/779985017.db2.gz PPBZDAXXZUCYLI-VHSXEESVSA-N 2 0 272.349 -1.632 20 0 CAADRP O=C([C@@H]1C[C@H]2C[NH2+]C[C@H]2N1)N(c1ncccn1)C1C[NH2+]C1 ZINC001160915978 779986168 /nfs/dbraw/zinc/98/61/68/779986168.db2.gz SWFWIRAWBVQWPR-ZMLRMANQSA-N 2 0 288.355 -1.269 20 0 CAADRP O=C([C@H]1C[NH2+]C[C@H]1O)N(c1ncccn1)C1C[NH2+]C1 ZINC001160915823 779986290 /nfs/dbraw/zinc/98/62/90/779986290.db2.gz NQALZTRBBJIVCR-VHSXEESVSA-N 2 0 263.301 -1.638 20 0 CAADRP O=C([C@H]1C[NH2+]CC12C[NH2+]C2)N(c1ncccn1)C1C[NH2+]C1 ZINC001160916317 779986634 /nfs/dbraw/zinc/98/66/34/779986634.db2.gz XUGJRYNRVNXDAI-LLVKDONJSA-N 3 0 288.355 -1.410 20 0 CAADRP [NH3+]CCNCC(=O)N(c1ncccn1)C1C[NH2+]C1 ZINC001160915896 779986658 /nfs/dbraw/zinc/98/66/58/779986658.db2.gz QXOLBDVOLZMVHM-UHFFFAOYSA-N 2 0 250.306 -1.670 20 0 CAADRP O=C(N(c1ncccn1)C1C[NH2+]C1)[C@]12C[NH2+]C[C@H]1CCN2 ZINC001160916108 779986680 /nfs/dbraw/zinc/98/66/80/779986680.db2.gz UYAKGBADJBXVLV-YGRLFVJLSA-N 2 0 288.355 -1.267 20 0 CAADRP O=C([C@H]1C[C@@H](O)C[NH2+]1)N(c1ncccn1)C1C[NH2+]C1 ZINC001160915611 779986790 /nfs/dbraw/zinc/98/67/90/779986790.db2.gz GKGSFKMFKWDHGG-NXEZZACHSA-N 2 0 263.301 -1.496 20 0 CAADRP O=C([C@@H]1C[NH2+]CCN1)N(c1ncccn1)C1C[NH2+]C1 ZINC001160916142 779986794 /nfs/dbraw/zinc/98/67/94/779986794.db2.gz WHUOFAPCHJTGBY-JTQLQIEISA-N 2 0 262.317 -1.657 20 0 CAADRP [NH3+]CCSC[C@H]([NH3+])C(=O)N(c1ncccn1)C1C[NH2+]C1 ZINC001160915678 779986825 /nfs/dbraw/zinc/98/68/25/779986825.db2.gz JDCIXXCVLSKVBV-JTQLQIEISA-N 3 0 296.400 -1.199 20 0 CAADRP C[NH+](C)C[C@@]12C[C@@H]1CN(C(=O)[C@H]1C[NH2+]C[C@H]1O)C2 ZINC001160963440 779987900 /nfs/dbraw/zinc/98/79/00/779987900.db2.gz KIGPENHXKWGGFN-LSCVPOLPSA-N 2 0 253.346 -1.023 20 0 CAADRP C[NH+](C)C[C@@]12C[C@@H]1CN(C(=O)[C@@H]1COC3(C[NH2+]C3)CN1)C2 ZINC001160963404 779987930 /nfs/dbraw/zinc/98/79/30/779987930.db2.gz JVYQFYWYWLYWTI-MBNYWOFBSA-N 2 0 294.399 -1.273 20 0 CAADRP C[NH+](C)C[C@@]12C[C@@H]1CN(C(=O)[C@H]1C[NH2+]C[C@@H]1N)C2 ZINC001160964533 779988674 /nfs/dbraw/zinc/98/86/74/779988674.db2.gz POOFUPWNYPOASZ-MPPDQPJWSA-N 2 0 252.362 -1.057 20 0 CAADRP [NH3+][C@@H](Cc1cnc[nH]1)C(=O)N1CC(O)([C@H]2CCCC[NH2+]2)C1 ZINC001161000325 779988722 /nfs/dbraw/zinc/98/87/22/779988722.db2.gz RWZPYMOROWQLSH-NWDGAFQWSA-N 3 0 293.371 -1.005 20 0 CAADRP [NH3+][C@@H](Cc1cnc[nH]1)C(=O)N1CC(O)([C@@H]2CCCC[NH2+]2)C1 ZINC001161000326 779988768 /nfs/dbraw/zinc/98/87/68/779988768.db2.gz RWZPYMOROWQLSH-RYUDHWBXSA-N 3 0 293.371 -1.005 20 0 CAADRP [NH3+][C@H]1CN(C(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)CC(F)(F)C1 ZINC001160968300 779988810 /nfs/dbraw/zinc/98/88/10/779988810.db2.gz SCVPOERYMCICCE-RKDXNWHRSA-N 3 0 274.315 -1.010 20 0 CAADRP O=C([C@H]1C[NH2+]CCN1)N1CC(O)([C@H]2CCCC[NH2+]2)C1 ZINC001161009706 779988829 /nfs/dbraw/zinc/98/88/29/779988829.db2.gz WZACEAOSKWWYNK-GHMZBOCLSA-N 2 0 268.361 -1.737 20 0 CAADRP O=C([C@@H]1C[C@H]2C[NH2+]C[C@H]2N1)N1CC(O)([C@@H]2CCCC[NH2+]2)C1 ZINC001160999896 779988846 /nfs/dbraw/zinc/98/88/46/779988846.db2.gz MTBCKWATEJPDMK-RVMXOQNASA-N 2 0 294.399 -1.348 20 0 CAADRP [NH3+][C@@H]1CN(C(=O)[C@@H]2COC3(C[NH2+]C3)CN2)CC(F)(F)C1 ZINC001160966768 779988874 /nfs/dbraw/zinc/98/88/74/779988874.db2.gz BIBFUBHHEFEIIJ-IUCAKERBSA-N 2 0 290.314 -1.488 20 0 CAADRP [NH3+]C[C@H](O)CC(=O)N1CC(O)([C@H]2CCCC[NH2+]2)C1 ZINC001161001330 779988927 /nfs/dbraw/zinc/98/89/27/779988927.db2.gz YBUOBVGATJSELR-NXEZZACHSA-N 2 0 257.334 -1.589 20 0 CAADRP [NH3+]CCC[NH2+]CC(=O)N1CC(O)([C@@H]2CCCC[NH2+]2)C1 ZINC001161009797 779988967 /nfs/dbraw/zinc/98/89/67/779988967.db2.gz YJMAPDKFAYNWFF-NSHDSACASA-N 3 0 270.377 -1.360 20 0 CAADRP O=C(N1CC(O)([C@@H]2CCCC[NH2+]2)C1)[C@@]12C[NH2+]C[C@@H]1CCN2 ZINC001161000470 779988997 /nfs/dbraw/zinc/98/89/97/779988997.db2.gz TUXLDSFRDYTYIX-SLEUVZQESA-N 2 0 294.399 -1.347 20 0 CAADRP O=C(N1CC(O)([C@H]2CCCC[NH2+]2)C1)[C@]12C[NH2+]C[C@H]1COC2 ZINC001160999749 779989159 /nfs/dbraw/zinc/98/91/59/779989159.db2.gz JSPCCFYISLARGW-SCRDCRAPSA-N 2 0 295.383 -1.062 20 0 CAADRP O=C([C@H]1[NH2+]CC[C@H]1O)N1CC(O)([C@@H]2CCCC[NH2+]2)C1 ZINC001161006385 779989220 /nfs/dbraw/zinc/98/92/20/779989220.db2.gz CHZDFGDEYNVKLB-VWYCJHECSA-N 2 0 269.345 -1.575 20 0 CAADRP O=C([C@@H]1C[NH2+]CCN1)N1CC(O)([C@H]2CCCC[NH2+]2)C1 ZINC001161009709 779989308 /nfs/dbraw/zinc/98/93/08/779989308.db2.gz WZACEAOSKWWYNK-WDEREUQCSA-N 2 0 268.361 -1.737 20 0 CAADRP N[C@@]1(C(=O)N2CC(O)([C@H]3CCCC[NH2+]3)C2)CCC[NH2+]C1 ZINC001161009179 779989314 /nfs/dbraw/zinc/98/93/14/779989314.db2.gz TXUPUXYBVBPATO-YPMHNXCESA-N 2 0 282.388 -1.217 20 0 CAADRP N[C@]1(C(=O)N2CC(O)([C@@H]3CCCC[NH2+]3)C2)CC[NH2+]C1 ZINC001161008738 779989403 /nfs/dbraw/zinc/98/94/03/779989403.db2.gz REDNZGVEOJPLHK-CMPLNLGQSA-N 2 0 268.361 -1.607 20 0 CAADRP [NH3+]CCC[NH2+]CC(=O)N1CC(O)([C@H]2CCCC[NH2+]2)C1 ZINC001161009794 779989573 /nfs/dbraw/zinc/98/95/73/779989573.db2.gz YJMAPDKFAYNWFF-LLVKDONJSA-N 3 0 270.377 -1.360 20 0 CAADRP O=C([C@@H]1C[NH2+]C[C@H]1O)N1CC(O)([C@@H]2CCCC[NH2+]2)C1 ZINC001161008474 779989601 /nfs/dbraw/zinc/98/96/01/779989601.db2.gz OVCDOJANULLMDU-MXWKQRLJSA-N 2 0 269.345 -1.718 20 0 CAADRP CN1CC[NH2+]C[C@H]1C(=O)N1CC(O)([C@@H]2CCCC[NH2+]2)C1 ZINC001161008446 779989620 /nfs/dbraw/zinc/98/96/20/779989620.db2.gz OMBCYINJNKZVCP-RYUDHWBXSA-N 2 0 282.388 -1.395 20 0 CAADRP C[C@@H]1CN(C(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)CC[NH2+]1 ZINC001161020050 779990428 /nfs/dbraw/zinc/99/04/28/779990428.db2.gz LTIXJNMRWPLDPK-PWSUYJOCSA-N 3 0 269.393 -1.443 20 0 CAADRP CC(=O)O[C@@H]1C[NH2+]C[C@@H]1C(=O)N1CC[NH2+][C@H](C)C1 ZINC001161017100 779990461 /nfs/dbraw/zinc/99/04/61/779990461.db2.gz FOGSQTLXIOLPRX-DVVUODLYSA-N 2 0 255.318 -1.042 20 0 CAADRP C[C@@H]1CN(C(=O)[C@@H]2CCCN2C(=O)C[NH3+])CC[NH2+]1 ZINC001161017841 779991174 /nfs/dbraw/zinc/99/11/74/779991174.db2.gz ZTLQWANPPQFVLS-ZJUUUORDSA-N 2 0 254.334 -1.244 20 0 CAADRP CC(=O)O[C@H]1C[NH2+]C[C@H]1C(=O)N1CC[NH2+][C@H](C)C1 ZINC001161017102 779991474 /nfs/dbraw/zinc/99/14/74/779991474.db2.gz FOGSQTLXIOLPRX-IEBDPFPHSA-N 2 0 255.318 -1.042 20 0 CAADRP C[C@@H]1CN(C(=O)[C@@H]2NC(=O)CC23C[NH2+]C3)CC[NH2+]1 ZINC001161015422 779991340 /nfs/dbraw/zinc/99/13/40/779991340.db2.gz BIZFPHXRJBJIFI-SCZZXKLOSA-N 2 0 252.318 -1.715 20 0 CAADRP C[C@@H]1CN(C(=O)[C@@H]2CCS(=O)(=O)C23C[NH2+]C3)CC[NH2+]1 ZINC001161016093 779991457 /nfs/dbraw/zinc/99/14/57/779991457.db2.gz RMBTVBOVFRLBAW-ZJUUUORDSA-N 2 0 287.385 -1.417 20 0 CAADRP [NH3+][C@@H](C(=O)N1CCC2(CNC(=O)N2)CC1)C1CC[NH2+]CC1 ZINC001161081024 779992155 /nfs/dbraw/zinc/99/21/55/779992155.db2.gz CJQVEMLRVCUBHX-LLVKDONJSA-N 2 0 295.387 -1.013 20 0 CAADRP O=C([C@H]1C[NH2+]CC12C[NH2+]C2)N1CCC2(CNC(=O)N2)CC1 ZINC001161081970 779992856 /nfs/dbraw/zinc/99/28/56/779992856.db2.gz MWQSDDSGBRMSRK-SNVBAGLBSA-N 2 0 293.371 -1.531 20 0 CAADRP C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N(C)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001161060445 779992918 /nfs/dbraw/zinc/99/29/18/779992918.db2.gz BEDORINEOIXZIL-XWLWVQCSSA-N 2 0 286.376 -1.461 20 0 CAADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)[C@H]3COC4(C[NH2+]C4)CN3)C[C@@H]21 ZINC001161082878 779992989 /nfs/dbraw/zinc/99/29/89/779992989.db2.gz PZAWAHNVAVTDIN-UPJWGTAASA-N 2 0 294.399 -1.131 20 0 CAADRP [NH3+]CCN(CCNc1cc(C[NH3+])ncn1)N(O)N=O ZINC001161087856 779994441 /nfs/dbraw/zinc/99/44/41/779994441.db2.gz VFANZYURTCVPNS-UHFFFAOYSA-N 2 0 270.297 -1.105 20 0 CAADRP COC(=O)[C@]1(N)CCN(C(=O)[C@H]([NH3+])CCC[NH3+])C1 ZINC001161138307 779997182 /nfs/dbraw/zinc/99/71/82/779997182.db2.gz RJXZNEMJFMFAGH-KCJUWKMLSA-N 2 0 258.322 -1.845 20 0 CAADRP COC(=O)[C@]1(N)CCN(C(=O)C[C@@H]([NH3+])CCCC[NH3+])C1 ZINC001161138655 779997942 /nfs/dbraw/zinc/99/79/42/779997942.db2.gz CLGVSNJFGSPORZ-GWCFXTLKSA-N 2 0 286.376 -1.064 20 0 CAADRP COC(=O)[C@@]1(N)CCN(C(=O)[C@@H]([NH3+])CCC[NH3+])C1 ZINC001161138306 779998023 /nfs/dbraw/zinc/99/80/23/779998023.db2.gz RJXZNEMJFMFAGH-GZMMTYOYSA-N 2 0 258.322 -1.845 20 0 CAADRP COC(=O)[C@@]1(N)CCN(C(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)C1 ZINC001161138779 779998596 /nfs/dbraw/zinc/99/85/96/779998596.db2.gz ZCBVWTPRNRIVHR-NOZJJQNGSA-N 2 0 282.344 -2.102 20 0 CAADRP COC(=O)[C@]1(N)CCN(C(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)C1 ZINC001161138782 779998941 /nfs/dbraw/zinc/99/89/41/779998941.db2.gz ZCBVWTPRNRIVHR-ZANVPECISA-N 2 0 282.344 -2.102 20 0 CAADRP CCOC(=O)CN(CCC[NH3+])C(=O)[C@H]1C[NH2+]C[C@H]1O ZINC001161157961 779999239 /nfs/dbraw/zinc/99/92/39/779999239.db2.gz MLZROLNCJBKCLU-VHSXEESVSA-N 2 0 273.333 -1.693 20 0 CAADRP CCN(C(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2)C1CN(C)C1 ZINC001161138760 779999292 /nfs/dbraw/zinc/99/92/92/779999292.db2.gz YODKNJNPZXNGSA-NSHDSACASA-N 2 0 252.362 -1.042 20 0 CAADRP COC(=O)[C@]1(N)CCN(C(=O)[C@@H]([NH3+])C2CC[NH2+]CC2)C1 ZINC001161139428 779999361 /nfs/dbraw/zinc/99/93/61/779999361.db2.gz TXIXREHIPZKOSM-GWCFXTLKSA-N 2 0 284.360 -1.584 20 0 CAADRP CCOC(=O)CN(CCC[NH3+])C(=O)[C@@H]1C[C@@H]([NH3+])CN1 ZINC001161158661 780000300 /nfs/dbraw/zinc/00/03/00/780000300.db2.gz ZKJKPLOTMVWRBI-ZJUUUORDSA-N 2 0 272.349 -1.584 20 0 CAADRP CCOC(=O)CN(CCC[NH3+])C(=O)[C@H]1C[NH2+]C[C@@H]1N ZINC001161158410 780000517 /nfs/dbraw/zinc/00/05/17/780000517.db2.gz UUULUWNURKFXGW-UWVGGRQHSA-N 2 0 272.349 -1.726 20 0 CAADRP CCOC(=O)CN(CCC[NH3+])C(=O)[C@]12C[NH2+]C[C@H]1CCN2 ZINC001161158551 780000587 /nfs/dbraw/zinc/00/05/87/780000587.db2.gz WSFFRSXIMHQLGT-RISCZKNCSA-N 2 0 298.387 -1.322 20 0 CAADRP CCOC(=O)CN(CCC[NH3+])C(=O)[C@@H]1C[NH2+]CCN1 ZINC001161157385 780000600 /nfs/dbraw/zinc/00/06/00/780000600.db2.gz CICZXPPWWRGTAX-JTQLQIEISA-N 2 0 272.349 -1.712 20 0 CAADRP CCOC(=O)CN(CCC[NH3+])C(=O)[C@@]1(N)CC[NH2+]C1 ZINC001161158013 780000893 /nfs/dbraw/zinc/00/08/93/780000893.db2.gz NPNHOEMUDRYRBN-GFCCVEGCSA-N 2 0 272.349 -1.582 20 0 CAADRP C[C@H]1CN(C(=O)CN(CC[NH3+])S(C)(=O)=O)C[C@H](C)[NH2+]1 ZINC001161229333 780001363 /nfs/dbraw/zinc/00/13/63/780001363.db2.gz JWOSGLNYZDRSIV-UWVGGRQHSA-N 2 0 292.405 -1.585 20 0 CAADRP CC(C)(O)CC[NH+]1CCN(C(=O)[C@@H]2C[NH2+]C[C@H]2O)CC1 ZINC001161176290 780001413 /nfs/dbraw/zinc/00/14/13/780001413.db2.gz SILVSRNSXUMARP-VXGBXAGGSA-N 2 0 285.388 -1.128 20 0 CAADRP CN(C(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001161220698 780001716 /nfs/dbraw/zinc/00/17/16/780001716.db2.gz GHHDTCLDRUZSRL-XQHKEYJVSA-N 3 0 281.404 -1.587 20 0 CAADRP CN(C(=O)[C@@H]1CCCN1C(=O)C[NH3+])[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001161222104 780001739 /nfs/dbraw/zinc/00/17/39/780001739.db2.gz VJWAGXHAQCKDFZ-MIZYBKAJSA-N 2 0 266.345 -1.388 20 0 CAADRP CN(C(=O)[C@@H]([NH3+])Cc1cncn1C)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001161218885 780002074 /nfs/dbraw/zinc/00/20/74/780002074.db2.gz LETGSGCXUQNXRO-WHOHXGKFSA-N 2 0 263.345 -1.034 20 0 CAADRP CN(C(=O)[C@@]12CC[C@@H](N1)[C@H]([NH3+])C2)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001161219092 780002240 /nfs/dbraw/zinc/00/22/40/780002240.db2.gz MUZWCQXMQDIIIU-KXTOZSSYSA-N 2 0 250.346 -1.116 20 0 CAADRP CC(C)(O)CC[NH+]1CCN(C(=O)[C@@H](N)CC[NH3+])CC1 ZINC001161174603 780002291 /nfs/dbraw/zinc/00/22/91/780002291.db2.gz APHINWZLPAKAJB-NSHDSACASA-N 2 0 272.393 -1.032 20 0 CAADRP CN(C(=O)[C@]12C[NH2+]C[C@@H]1CCN2)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001161219652 780002333 /nfs/dbraw/zinc/00/23/33/780002333.db2.gz SGMKAIDLFJJDMV-ONYIWYLUSA-N 2 0 250.346 -1.386 20 0 CAADRP CN(C(=O)[C@]12C[NH2+]C[C@H]1CCN2)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001161219651 780002348 /nfs/dbraw/zinc/00/23/48/780002348.db2.gz SGMKAIDLFJJDMV-IIEKFROSSA-N 2 0 250.346 -1.386 20 0 CAADRP COC(=O)[C@H]1CN(C)CCN1C(=O)[C@H]([NH3+])CCC[NH3+] ZINC001161236811 780002895 /nfs/dbraw/zinc/00/28/95/780002895.db2.gz GUCMPRWIEJOJPX-NXEZZACHSA-N 2 0 272.349 -1.632 20 0 CAADRP [NH3+]C[C@@]1(F)CCN(C(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)C1 ZINC001161239357 780003680 /nfs/dbraw/zinc/00/36/80/780003680.db2.gz JVDGAWZDILWUPV-CABZTGNLSA-N 3 0 256.325 -1.305 20 0 CAADRP [NH3+]C[C@]1(F)CCN(C(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)C1 ZINC001161239355 780003546 /nfs/dbraw/zinc/00/35/46/780003546.db2.gz JVDGAWZDILWUPV-BXKDBHETSA-N 3 0 256.325 -1.305 20 0 CAADRP NC(=O)NCCC[C@@H]([NH3+])C(=O)N1CC[C@@](F)(C[NH3+])C1 ZINC001161239353 780003989 /nfs/dbraw/zinc/00/39/89/780003989.db2.gz JVBITFRXAXAIKP-LDYMZIIASA-N 2 0 275.328 -1.339 20 0 CAADRP COC(=O)[C@@H]1CN(C)CCN1C(=O)[C@@H]([NH3+])CCC[NH3+] ZINC001161236813 780004482 /nfs/dbraw/zinc/00/44/82/780004482.db2.gz GUCMPRWIEJOJPX-UWVGGRQHSA-N 2 0 272.349 -1.632 20 0 CAADRP [NH3+]CCC[C@@H]([NH3+])C(=O)N1CCN(c2ncncn2)CC1 ZINC001161247412 780005018 /nfs/dbraw/zinc/00/50/18/780005018.db2.gz HAYWIANTYOJTIK-SNVBAGLBSA-N 2 0 279.348 -1.414 20 0 CAADRP CC(=O)N[C@@H]1CCCN(C(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)C1 ZINC001161271028 780005161 /nfs/dbraw/zinc/00/51/61/780005161.db2.gz VBTVWAPOAPFNJV-VXGBXAGGSA-N 2 0 280.372 -1.078 20 0 CAADRP C[S@@](=O)CC[C@H]([NH3+])C(=O)N1CC[C@@](F)(C[NH3+])C1 ZINC001161244987 780005241 /nfs/dbraw/zinc/00/52/41/780005241.db2.gz ACLFACYKSHACIZ-RTEYPVDISA-N 2 0 265.354 -1.018 20 0 CAADRP CC(=O)N[C@@H]1CCCN(C(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)C1 ZINC001161271027 780005538 /nfs/dbraw/zinc/00/55/38/780005538.db2.gz VBTVWAPOAPFNJV-NEPJUHHUSA-N 2 0 280.372 -1.078 20 0 CAADRP [NH3+]C[C@@]1(F)CCN(C(=O)[C@H]2COC3(C[NH2+]C3)CN2)C1 ZINC001161239538 780005599 /nfs/dbraw/zinc/00/55/99/780005599.db2.gz MPAVMMRUZMFDJP-KOLCDFICSA-N 2 0 272.324 -1.784 20 0 CAADRP [NH3+]CCSC[C@H]([NH3+])C(=O)N1CC[C@@](F)(C[NH3+])C1 ZINC001161246958 780005628 /nfs/dbraw/zinc/00/56/28/780005628.db2.gz TVUBSAKYUQIGOB-WCBMZHEXSA-N 3 0 264.370 -1.095 20 0 CAADRP [NH3+]C[C@]1(F)CCN(C(=O)[C@@H]2COC3(C[NH2+]C3)CN2)C1 ZINC001161239487 780005698 /nfs/dbraw/zinc/00/56/98/780005698.db2.gz MPAVMMRUZMFDJP-GXSJLCMTSA-N 2 0 272.324 -1.784 20 0 CAADRP [NH3+]CCSC[C@H]([NH3+])C(=O)N1CC[C@](F)(C[NH3+])C1 ZINC001161246959 780006130 /nfs/dbraw/zinc/00/61/30/780006130.db2.gz TVUBSAKYUQIGOB-WPRPVWTQSA-N 3 0 264.370 -1.095 20 0 CAADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCN(c2ncncn2)CC1 ZINC001161248068 780006211 /nfs/dbraw/zinc/00/62/11/780006211.db2.gz PYHBBPJPZMUAIT-NSHDSACASA-N 2 0 293.375 -1.024 20 0 CAADRP COC(=O)[C@@]1(C)COCCN1C(=O)[C@H]([NH3+])CCC[NH3+] ZINC001161372476 780008152 /nfs/dbraw/zinc/00/81/52/780008152.db2.gz JOIFBCVUVGCAQU-BXKDBHETSA-N 2 0 273.333 -1.157 20 0 CAADRP O=C([C@@H]1C[NH2+]CCN1)N1CCO[C@@H](C[NH+]2CCCC2)C1 ZINC001161390540 780009522 /nfs/dbraw/zinc/00/95/22/780009522.db2.gz ZVQJADFLVWAMRP-STQMWFEESA-N 2 0 282.388 -1.129 20 0 CAADRP [NH3+]C1CCN([C@H]2CCN(C(=O)[C@@H]3C[NH2+]CCN3)C2)CC1 ZINC001161378274 780009574 /nfs/dbraw/zinc/00/95/74/780009574.db2.gz LMSWUYHQBNCMAH-STQMWFEESA-N 2 0 281.404 -1.428 20 0 CAADRP [NH3+]C1CCN([C@@H]2CCN(C(=O)[C@H]3C[NH2+]C[C@H]3O)C2)CC1 ZINC001161381781 780009696 /nfs/dbraw/zinc/00/96/96/780009696.db2.gz ZKZUYPXVHTVFKL-FRRDWIJNSA-N 2 0 282.388 -1.409 20 0 CAADRP [NH3+]C1CCN([C@@H]2CCN(C(=O)[C@H]3[NH2+]CC[C@@H]3O)C2)CC1 ZINC001161377108 780009770 /nfs/dbraw/zinc/00/97/70/780009770.db2.gz FLIBJQURYZJYIF-AGIUHOORSA-N 2 0 282.388 -1.267 20 0 CAADRP COC(=O)[C@]1(C)COCCN1C(=O)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001161373368 780009790 /nfs/dbraw/zinc/00/97/90/780009790.db2.gz PPNBJBLEBFFVNV-MFKMUULPSA-N 2 0 297.355 -1.414 20 0 CAADRP [NH3+]C[C@H](O)CC(=O)N1CC[C@@H](N2CCC([NH3+])CC2)C1 ZINC001161381274 780009848 /nfs/dbraw/zinc/00/98/48/780009848.db2.gz WZVIPNYGLRJCFA-VXGBXAGGSA-N 2 0 270.377 -1.280 20 0 CAADRP [NH3+]C1CCN([C@H]2CCN(C(=O)CN3CC[NH2+]CC3)C2)CC1 ZINC001161377975 780010026 /nfs/dbraw/zinc/01/00/26/780010026.db2.gz JXEOOQHMRDUPQS-AWEZNQCLSA-N 2 0 295.431 -1.084 20 0 CAADRP [NH3+]C1CCN([C@H]2CCN(C(=O)[C@H]3[NH2+]CC[C@@H]3O)C2)CC1 ZINC001161377119 780010538 /nfs/dbraw/zinc/01/05/38/780010538.db2.gz FLIBJQURYZJYIF-AVGNSLFASA-N 2 0 282.388 -1.267 20 0 CAADRP N[C@H]1C[NH2+]C[C@@H]1C(=O)N1CCO[C@H](C[NH+]2CCCC2)C1 ZINC001161389178 780010687 /nfs/dbraw/zinc/01/06/87/780010687.db2.gz OUBSSKXNRVBNKP-AGIUHOORSA-N 2 0 282.388 -1.144 20 0 CAADRP [NH3+]C1CCN([C@H]2CCN(C(=O)[C@@H]3C[C@H](O)C[NH2+]3)C2)CC1 ZINC001161377968 780010717 /nfs/dbraw/zinc/01/07/17/780010717.db2.gz JRUTZRRVMSVQIH-AVGNSLFASA-N 2 0 282.388 -1.267 20 0 CAADRP [NH3+]C1CCN([C@@H]2CCN(C(=O)[C@H]3C[NH2+]CCN3)C2)CC1 ZINC001161378271 780010946 /nfs/dbraw/zinc/01/09/46/780010946.db2.gz LMSWUYHQBNCMAH-CHWSQXEVSA-N 2 0 281.404 -1.428 20 0 CAADRP N[C@@]1(C(=O)N2CC[C@@H](N3CCC([NH3+])CC3)C2)CC[NH2+]C1 ZINC001161380856 780010979 /nfs/dbraw/zinc/01/09/79/780010979.db2.gz WECMPQYPNBLDRV-OCCSQVGLSA-N 2 0 281.404 -1.299 20 0 CAADRP [NH3+]C1CCN([C@@H]2CCN(C(=O)[C@@H]3C[NH2+]C[C@@H]3O)C2)CC1 ZINC001161381783 780010997 /nfs/dbraw/zinc/01/09/97/780010997.db2.gz ZKZUYPXVHTVFKL-UPJWGTAASA-N 2 0 282.388 -1.409 20 0 CAADRP O=C([C@@H]1C[NH2+]CC12C[NH2+]C2)N1CC[N@@H+]2CC[C@H]2C1 ZINC001161420616 780011884 /nfs/dbraw/zinc/01/18/84/780011884.db2.gz IVKQRTHITLGOSW-QWRGUYRKSA-N 3 0 250.346 -1.288 20 0 CAADRP O=C([C@@H]1COC2(C[NH2+]C2)CN1)N1CC[N@@H+]2CC[C@@H]2C1 ZINC001161422110 780011949 /nfs/dbraw/zinc/01/19/49/780011949.db2.gz ZYSBFHDDBCFGDL-MNOVXSKESA-N 2 0 266.345 -1.767 20 0 CAADRP O=C(N1CC[N@@H+]2CC[C@@H]2C1)[C@]12C[NH2+]C[C@@H]1CCN2 ZINC001161420327 780012155 /nfs/dbraw/zinc/01/21/55/780012155.db2.gz GUJLAQNRSVEGEX-LOWVWBTDSA-N 2 0 250.346 -1.146 20 0 CAADRP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N1CC[N@@H+]2CC[C@H]2C1 ZINC001161423548 780012182 /nfs/dbraw/zinc/01/21/82/780012182.db2.gz FJDJOFOAAPBTGM-GUBZILKMSA-N 2 0 297.359 -2.390 20 0 CAADRP O=C([C@H]1C[NH2+]CC12C[NH2+]C2)N1CC[N@@H+]2CC[C@@H]2C1 ZINC001161420614 780012266 /nfs/dbraw/zinc/01/22/66/780012266.db2.gz IVKQRTHITLGOSW-GHMZBOCLSA-N 3 0 250.346 -1.288 20 0 CAADRP O=C(N1CC[N@@H+]2CC[C@@H]2C1)[C@]12C[NH2+]C[C@H]1CCN2 ZINC001161420329 780012310 /nfs/dbraw/zinc/01/23/10/780012310.db2.gz GUJLAQNRSVEGEX-WZRBSPASSA-N 2 0 250.346 -1.146 20 0 CAADRP O=C([C@@H]1C[NH2+]CC12C[NH2+]C2)N1CC[N@@H+]2CC[C@@H]2C1 ZINC001161420615 780012541 /nfs/dbraw/zinc/01/25/41/780012541.db2.gz IVKQRTHITLGOSW-MNOVXSKESA-N 3 0 250.346 -1.288 20 0 CAADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC001161413004 780012746 /nfs/dbraw/zinc/01/27/46/780012746.db2.gz NJKAYYCMQNOXOJ-DEQVHRJGSA-N 3 0 295.431 -1.068 20 0 CAADRP O=C(N1CC[N@@H+]2CC[C@@H]2C1)[C@@]12C[NH2+]C[C@@H]1CCN2 ZINC001161420326 780012828 /nfs/dbraw/zinc/01/28/28/780012828.db2.gz GUJLAQNRSVEGEX-DMDPSCGWSA-N 2 0 250.346 -1.146 20 0 CAADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC001161413005 780012855 /nfs/dbraw/zinc/01/28/55/780012855.db2.gz NJKAYYCMQNOXOJ-GHYVTOPFSA-N 3 0 295.431 -1.068 20 0 CAADRP C[NH+](C)CCN(C(=O)[C@@H](N)C[NH3+])[C@@H]1CCC[NH2+]C1 ZINC001161445482 780013527 /nfs/dbraw/zinc/01/35/27/780013527.db2.gz PMSJNZYLQSPVAB-MNOVXSKESA-N 3 0 257.382 -1.585 20 0 CAADRP C[NH+](C)CCN(C(=O)[C@@H]1CNC(=O)N1)[C@@H]1CCC[NH2+]C1 ZINC001161444681 780013542 /nfs/dbraw/zinc/01/35/42/780013542.db2.gz JXNZYOQMLYERTB-MNOVXSKESA-N 2 0 283.376 -1.190 20 0 CAADRP C[NH+](C)CCN(C(=O)[C@]1(N)CC[NH2+]C1)[C@@H]1CCC[NH2+]C1 ZINC001161444047 780013653 /nfs/dbraw/zinc/01/36/53/780013653.db2.gz AMZKZFAEQRHPJG-OCCSQVGLSA-N 3 0 283.420 -1.181 20 0 CAADRP C[NH+](C)CCN(C(=O)CNCC[NH3+])[C@@H]1CCC[NH2+]C1 ZINC001161448332 780013889 /nfs/dbraw/zinc/01/38/89/780013889.db2.gz BOTCQFCFKUOTFY-GFCCVEGCSA-N 3 0 271.409 -1.323 20 0 CAADRP C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N1CC[N@@H+]2CC[C@@H]2C1 ZINC001161423791 780013952 /nfs/dbraw/zinc/01/39/52/780013952.db2.gz OBNDMFPYIRVAPK-AEJSXWLSSA-N 2 0 270.333 -2.273 20 0 CAADRP C[NH+](C)CCN(C(=O)CNCC[NH3+])[C@H]1CCC[NH2+]C1 ZINC001161448334 780014099 /nfs/dbraw/zinc/01/40/99/780014099.db2.gz BOTCQFCFKUOTFY-LBPRGKRZSA-N 3 0 271.409 -1.323 20 0 CAADRP C[NH+](C)CCN(C(=O)[C@@]1(N)CC[NH2+]C1)[C@@H]1CCC[NH2+]C1 ZINC001161444048 780014145 /nfs/dbraw/zinc/01/41/45/780014145.db2.gz AMZKZFAEQRHPJG-TZMCWYRMSA-N 3 0 283.420 -1.181 20 0 CAADRP C[NH+](C)CCN(C(=O)[C@@H](N)CC[NH3+])[C@@H]1CCC[NH2+]C1 ZINC001161447677 780014307 /nfs/dbraw/zinc/01/43/07/780014307.db2.gz YKPPCXBJMGQHGH-NEPJUHHUSA-N 3 0 271.409 -1.195 20 0 CAADRP COC(=O)[C@@]12CC[NH2+][C@@H]1CN(C(=O)[C@@H](N)C[NH3+])CC2 ZINC001161478680 780015095 /nfs/dbraw/zinc/01/50/95/780015095.db2.gz NPPAJZGREOEMLK-YGOYTEALSA-N 2 0 270.333 -1.974 20 0 CAADRP COC(=O)[C@]12CC[NH2+][C@@H]1CN(C(=O)[C@H]1[NH2+]CC[C@H]1O)CC2 ZINC001161477359 780015191 /nfs/dbraw/zinc/01/51/91/780015191.db2.gz FGFNJVKVSSLMAR-PUHVVEEASA-N 2 0 297.355 -1.537 20 0 CAADRP COC(=O)[C@]12CC[NH2+][C@H]1CN(C(=O)[C@@H]1C[C@H](O)C[NH2+]1)CC2 ZINC001161479148 780015438 /nfs/dbraw/zinc/01/54/38/780015438.db2.gz OJGUYZWKJZBBLM-RMIALFOJSA-N 2 0 297.355 -1.537 20 0 CAADRP COC(=O)[C@@]12CC[NH2+][C@@H]1CN(C(=O)CNCC[NH3+])CC2 ZINC001161480300 780015600 /nfs/dbraw/zinc/01/56/00/780015600.db2.gz OTIUUAYNOHUDMT-ZWNOBZJWSA-N 2 0 284.360 -1.712 20 0 CAADRP COC(=O)[C@@]12CC[NH2+][C@H]1CN(C(=O)[C@@H]1C[C@H](O)C[NH2+]1)CC2 ZINC001161479142 780015747 /nfs/dbraw/zinc/01/57/47/780015747.db2.gz OJGUYZWKJZBBLM-AYGWYOGXSA-N 2 0 297.355 -1.537 20 0 CAADRP COC(=O)[C@]12CC[NH2+][C@@H]1CN(C(=O)[C@@H](N)C[NH3+])CC2 ZINC001161478678 780015861 /nfs/dbraw/zinc/01/58/61/780015861.db2.gz NPPAJZGREOEMLK-SBMIAAHKSA-N 2 0 270.333 -1.974 20 0 CAADRP COC(=O)[C@@]12CC[NH2+][C@H]1CN(C(=O)[C@@H]1C[NH2+]CCN1)CC2 ZINC001161482369 780015993 /nfs/dbraw/zinc/01/59/93/780015993.db2.gz WEHHTRVAPYWZPV-COPLHBTASA-N 2 0 296.371 -1.699 20 0 CAADRP COC(=O)[C@]12CC[NH2+][C@@H]1CN(C(=O)[C@@H](N)CC[NH3+])CC2 ZINC001161477074 780016003 /nfs/dbraw/zinc/01/60/03/780016003.db2.gz HKBZZGLMZZHLKG-CWSCBRNRSA-N 2 0 284.360 -1.584 20 0 CAADRP COC(=O)[C@]12CC[NH2+][C@@H]1CN(C(=O)[C@@H]1C[C@H]([NH3+])CN1)CC2 ZINC001161476453 780016045 /nfs/dbraw/zinc/01/60/45/780016045.db2.gz AXJFYPHJGCYICU-DYNIEEOBSA-N 2 0 296.371 -1.571 20 0 CAADRP COC(=O)[C@]12CC[NH2+][C@H]1CN(C(=O)CNCC[NH3+])CC2 ZINC001161480294 780016129 /nfs/dbraw/zinc/01/61/29/780016129.db2.gz OTIUUAYNOHUDMT-GWCFXTLKSA-N 2 0 284.360 -1.712 20 0 CAADRP CO[C@@H]1CN(C(=O)[C@@H]2CCCN2C(=O)C[NH3+])C[C@@H]1[NH3+] ZINC001161493659 780016670 /nfs/dbraw/zinc/01/66/70/780016670.db2.gz QIHQLWNEJULGOE-LPEHRKFASA-N 2 0 270.333 -1.879 20 0 CAADRP CO[C@@H]1CN(C(=O)[C@H](CC(C)C)NC(=O)C[NH3+])C[C@@H]1[NH3+] ZINC001161493971 780016685 /nfs/dbraw/zinc/01/66/85/780016685.db2.gz VTFPCDWHXAMWJK-GARJFASQSA-N 2 0 286.376 -1.340 20 0 CAADRP CC[C@H](C)[C@H]([NH3+])C(=O)NCC(=O)N1C[C@@H](OC)[C@@H]([NH3+])C1 ZINC001161493151 780016832 /nfs/dbraw/zinc/01/68/32/780016832.db2.gz DOLFMBYXFKCWRW-GUDRVLHUSA-N 2 0 286.376 -1.340 20 0 CAADRP CO[C@@H]1CN(C(=O)CN2CCCC[C@H]([NH3+])C2=O)C[C@@H]1[NH3+] ZINC001161493965 780016905 /nfs/dbraw/zinc/01/69/05/780016905.db2.gz VMSIPMZEKULEAH-GARJFASQSA-N 2 0 284.360 -1.489 20 0 CAADRP C[N@H+](C1CN(C(=O)[C@H]2C[NH2+]C[C@@H]2N)C1)[C@H]1CCOC1 ZINC001161497783 780017076 /nfs/dbraw/zinc/01/70/76/780017076.db2.gz DYYCTCXHRIPVJO-DLOVCJGASA-N 2 0 268.361 -1.535 20 0 CAADRP CO[C@@H]1CN(C(=O)[C@@H]2COC3(C[NH2+]C3)CN2)C[C@@H]1[NH3+] ZINC001161491386 780017494 /nfs/dbraw/zinc/01/74/94/780017494.db2.gz FAGGQZPCRGTDAT-LPEHRKFASA-N 2 0 270.333 -2.499 20 0 CAADRP C[N@H+](C1CN(C(=O)[C@]23C[NH2+]C[C@@H]2CCN3)C1)[C@H]1CCOC1 ZINC001161498545 780017393 /nfs/dbraw/zinc/01/73/93/780017393.db2.gz JVOGMKVOZXEHLQ-HUBLWGQQSA-N 2 0 294.399 -1.131 20 0 CAADRP CO[C@@H]1CN(C(=O)[C@H](CCCC[NH3+])NC(C)=O)C[C@@H]1[NH3+] ZINC001161493252 780017430 /nfs/dbraw/zinc/01/74/30/780017430.db2.gz HULVYHDSWCNHGL-SDDRHHMPSA-N 2 0 286.376 -1.195 20 0 CAADRP CO[C@@H]1CN(C(=O)[C@]23C[NH2+]C[C@@H]2CCN3)C[C@@H]1[NH3+] ZINC001161492308 780017566 /nfs/dbraw/zinc/01/75/66/780017566.db2.gz NGVIXIDDPHCZRA-GUDRVLHUSA-N 2 0 254.334 -1.878 20 0 CAADRP [NH3+][C@@H](C(=O)N1C[C@@H]([NH3+])C2(COC2)C1)C1CC[NH2+]CC1 ZINC001161509305 780018127 /nfs/dbraw/zinc/01/81/27/780018127.db2.gz IZHNWHSZNMQGKS-GHMZBOCLSA-N 3 0 268.361 -1.501 20 0 CAADRP C[N@H+](C1CN(C(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)C1)[C@H]1CCOC1 ZINC001161498718 780018444 /nfs/dbraw/zinc/01/84/44/780018444.db2.gz LJLFHCOTVMKMLK-AAEUAGOBSA-N 3 0 294.399 -1.273 20 0 CAADRP [NH3+][C@H]1CN(C(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)CC12COC2 ZINC001161509204 780018495 /nfs/dbraw/zinc/01/84/95/780018495.db2.gz IQUULBWDJRXFPI-UWVGGRQHSA-N 3 0 266.345 -2.019 20 0 CAADRP [NH3+][C@@H]1CN(C(=O)[C@]23C[NH2+]C[C@@H]2CCN3)CC12COC2 ZINC001161507931 780018670 /nfs/dbraw/zinc/01/86/70/780018670.db2.gz BZSVJPLRLRYJMU-CWSCBRNRSA-N 2 0 266.345 -1.876 20 0 CAADRP [NH3+][C@H](C(=O)N1C[C@@H]([NH3+])C2(COC2)C1)C1CC[NH2+]CC1 ZINC001161509307 780018758 /nfs/dbraw/zinc/01/87/58/780018758.db2.gz IZHNWHSZNMQGKS-MNOVXSKESA-N 3 0 268.361 -1.501 20 0 CAADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)N1C[C@@H]([NH3+])C2(COC2)C1 ZINC001161508939 780018899 /nfs/dbraw/zinc/01/88/99/780018899.db2.gz HBUXTBGRKBDDME-NWDGAFQWSA-N 3 0 297.403 -2.077 20 0 CAADRP C[N@H+](C1CN(C(=O)[C@@]2(N)CC[NH2+]C2)C1)[C@H]1CCOC1 ZINC001161498692 780019030 /nfs/dbraw/zinc/01/90/30/780019030.db2.gz LDQKZXDFIMUBBU-GXFFZTMASA-N 2 0 268.361 -1.391 20 0 CAADRP CC1(C)[NH2+][C@H](C(=O)N2C[C@H]([NH3+])C3(COC3)C2)CO1 ZINC001161509874 780019087 /nfs/dbraw/zinc/01/90/87/780019087.db2.gz LZVOQDPOQSFKAB-IUCAKERBSA-N 2 0 255.318 -1.103 20 0 CAADRP [NH3+][C@@H]1CN(C(=O)CN2CC[NH2+]CC2)CC12COC2 ZINC001161509856 780019108 /nfs/dbraw/zinc/01/91/08/780019108.db2.gz LRLXQZQYFQLDBR-SNVBAGLBSA-N 2 0 254.334 -1.922 20 0 CAADRP [NH3+][C@H]1CN(C(=O)C[C@H]2COCC[NH2+]2)CC12COC2 ZINC001161507871 780019200 /nfs/dbraw/zinc/01/92/00/780019200.db2.gz BUHRTOUOLYEKON-UWVGGRQHSA-N 2 0 255.318 -1.449 20 0 CAADRP Cn1cncc1C[C@H]([NH3+])C(=O)N1C[C@@H]([NH3+])C2(COC2)C1 ZINC001161501157 780019264 /nfs/dbraw/zinc/01/92/64/780019264.db2.gz UCAUGRUMPCVDFF-WDEREUQCSA-N 2 0 279.344 -1.524 20 0 CAADRP NC(=O)NCCC[C@@H]([NH3+])C(=O)N1C[C@@H]([NH3+])C2(COC2)C1 ZINC001161509864 780019624 /nfs/dbraw/zinc/01/96/24/780019624.db2.gz LSURARNCCOXARQ-RKDXNWHRSA-N 2 0 285.348 -2.052 20 0 CAADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1C[C@H]([NH3+])C2(COC2)C1 ZINC001161509857 780019735 /nfs/dbraw/zinc/01/97/35/780019735.db2.gz LRSZDESVWFHRBK-UWVGGRQHSA-N 3 0 256.350 -1.371 20 0 CAADRP C[N@H+](C1CN(C(=O)[C@H]2[NH2+]CC[C@@H]2O)C1)[C@H]1CCOC1 ZINC001161498863 780019807 /nfs/dbraw/zinc/01/98/07/780019807.db2.gz HXZDLQVTMYUBBT-DLOVCJGASA-N 2 0 269.345 -1.359 20 0 CAADRP [NH3+][C@H](C(=O)N1C[C@H]([NH3+])C2(COC2)C1)C1CC[NH2+]CC1 ZINC001161509319 780019861 /nfs/dbraw/zinc/01/98/61/780019861.db2.gz IZHNWHSZNMQGKS-QWRGUYRKSA-N 3 0 268.361 -1.501 20 0 CAADRP C[N@H+](C1CN(C(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3N2)C1)[C@H]1CCOC1 ZINC001161499003 780020045 /nfs/dbraw/zinc/02/00/45/780020045.db2.gz LVCNRSGRJVQIQA-AUZPSNTRSA-N 2 0 294.399 -1.132 20 0 CAADRP C[N@H+](C1CN(C(=O)CN2CC[NH2+]CC2)C1)[C@H]1CCOC1 ZINC001161498679 780020093 /nfs/dbraw/zinc/02/00/93/780020093.db2.gz LCIQWAWXMJQUPA-LBPRGKRZSA-N 2 0 282.388 -1.177 20 0 CAADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)CN(CC[NH3+])S(C)(=O)=O ZINC001161530330 780020595 /nfs/dbraw/zinc/02/05/95/780020595.db2.gz WGTFYPYNPWQIAD-BDAKNGLRSA-N 2 0 278.378 -1.845 20 0 CAADRP O=C([C@@H]1NC(=O)CC12C[NH2+]C2)N1CC[NH2+]C2(CC2)C1 ZINC001161545328 780020873 /nfs/dbraw/zinc/02/08/73/780020873.db2.gz QTXGJPGJOXMFET-JTQLQIEISA-N 2 0 264.329 -1.571 20 0 CAADRP O=C([C@H]1C[NH2+]CC12C[NH2+]C2)N1CC[NH2+]C2(CC2)C1 ZINC001161545080 780021187 /nfs/dbraw/zinc/02/11/87/780021187.db2.gz LKBLWYMOXDBNDZ-SNVBAGLBSA-N 3 0 250.346 -1.240 20 0 CAADRP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N1C[C@@H]([NH3+])C[C@H]1C ZINC001161530079 780021268 /nfs/dbraw/zinc/02/12/68/780021268.db2.gz QYXLJZWLBGKLBC-XGEHTFHBSA-N 2 0 285.348 -2.358 20 0 CAADRP N[C@]1(C(=O)N2C[C@@H]([NH3+])C3(COC3)C2)CCC[NH2+]C1 ZINC001161511398 780021322 /nfs/dbraw/zinc/02/13/22/780021322.db2.gz ZCKBZZQAHZECOW-BXKDBHETSA-N 2 0 254.334 -1.747 20 0 CAADRP O=C(N1CC[NH2+]C2(CC2)C1)[C@@]12C[NH2+]C[C@@H]1CCN2 ZINC001161544870 780021407 /nfs/dbraw/zinc/02/14/07/780021407.db2.gz HJGLNKOUALLOJO-GXFFZTMASA-N 2 0 250.346 -1.098 20 0 CAADRP [NH3+][C@@H]1CN(C(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3N2)CC12COC2 ZINC001161510865 780021441 /nfs/dbraw/zinc/02/14/41/780021441.db2.gz UDXDAUQBLWZLHE-UKKRHICBSA-N 2 0 266.345 -1.878 20 0 CAADRP C[NH+]1CC2(CN(C(=O)[C@@H]3CCCN3C(=O)C[NH3+])C2)C1 ZINC001161531228 780021699 /nfs/dbraw/zinc/02/16/99/780021699.db2.gz CXISEMIVZITQQR-JTQLQIEISA-N 2 0 266.345 -1.290 20 0 CAADRP [NH3+][C@H]1CN(C(=O)CN2CCCC[C@H]([NH3+])C2=O)CC12COC2 ZINC001161511045 780021918 /nfs/dbraw/zinc/02/19/18/780021918.db2.gz VNOJDCLDFPJPNT-QWRGUYRKSA-N 2 0 296.371 -1.488 20 0 CAADRP C[NH+]1CC2(CN(C(=O)[C@@H]([NH3+])CSCC[NH3+])C2)C1 ZINC001161531773 780022019 /nfs/dbraw/zinc/02/20/19/780022019.db2.gz JEHAMKQMDZKLNC-VIFPVBQESA-N 3 0 258.391 -1.220 20 0 CAADRP COCCOC1CN(C(=O)[C@@H]([NH3+])CSCC[NH3+])C1 ZINC001161572326 780022694 /nfs/dbraw/zinc/02/26/94/780022694.db2.gz KAANVLWHLMMMEG-JTQLQIEISA-N 2 0 277.390 -1.121 20 0 CAADRP C[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N1CC[NH2+]C2(CC2)C1 ZINC001161550260 780022779 /nfs/dbraw/zinc/02/27/79/780022779.db2.gz GBOIUIQYAMTAOO-IUCAKERBSA-N 2 0 254.334 -1.197 20 0 CAADRP C[NH2+]Cc1cc(N(CC[NH3+])S(C)(=O)=O)ncn1 ZINC001162124421 780029867 /nfs/dbraw/zinc/02/98/67/780029867.db2.gz YLAQMBSVJYJARI-UHFFFAOYSA-N 2 0 259.335 -1.079 20 0 CAADRP CS(=O)(=O)N(CC[NH3+])c1ncnc2c1C[NH2+]CC2 ZINC001162125223 780030341 /nfs/dbraw/zinc/03/03/41/780030341.db2.gz WHLJVVYIQSDKRS-UHFFFAOYSA-N 2 0 271.346 -1.153 20 0 CAADRP O=C(NCCC[NH2+]CCO)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001162872213 780053465 /nfs/dbraw/zinc/05/34/65/780053465.db2.gz KNPLAQUXLNVERH-LXVYMNJGSA-N 2 0 283.372 -1.062 20 0 CAADRP [NH3+]CCN(CCO)c1cnc(O[C@H]2CC[NH2+]C2)nc1 ZINC001163837286 780062442 /nfs/dbraw/zinc/06/24/42/780062442.db2.gz YJAOTTIOKKWLBP-NSHDSACASA-N 2 0 267.333 -1.025 20 0 CAADRP C[NH+]1CCN(c2ccc(N3C[C@H]([NH3+])[C@@H](O)C3)nn2)CC1 ZINC001165150986 780076285 /nfs/dbraw/zinc/07/62/85/780076285.db2.gz WGPXQEOHNRVMPW-QWRGUYRKSA-N 2 0 278.360 -1.263 20 0 CAADRP O=C1NCCN(c2ncc3c(n2)CC[NH2+]C3)C12C[NH2+]C2 ZINC001165297455 780077974 /nfs/dbraw/zinc/07/79/74/780077974.db2.gz GTCSLVVCFQJSEA-UHFFFAOYSA-N 2 0 274.328 -1.600 20 0 CAADRP COC(=O)[C@@H]1C[NH2+]CCN1c1cc(C[NH3+])ncn1 ZINC001165435310 780079519 /nfs/dbraw/zinc/07/95/19/780079519.db2.gz CBSCVZFKRGEFKL-VIFPVBQESA-N 2 0 251.290 -1.114 20 0 CAADRP Cn1[nH]c(C[NH2+]CCCNC(=O)CC[NH+](C)C)nc1=O ZINC001165794209 780088744 /nfs/dbraw/zinc/08/87/44/780088744.db2.gz MLLBMMXPQBWOFZ-UHFFFAOYSA-N 2 0 284.364 -1.344 20 0 CAADRP Cn1nnnc1C[NH2+]CCCNC(=O)CC[NH+](C)C ZINC001165794341 780088891 /nfs/dbraw/zinc/08/88/91/780088891.db2.gz SMLZIZZLCUZFJB-UHFFFAOYSA-N 2 0 269.353 -1.242 20 0 CAADRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCCC[NH2+]CC(N)=O ZINC001166707739 780092470 /nfs/dbraw/zinc/09/24/70/780092470.db2.gz ISGBPCDALUJREM-UWVGGRQHSA-N 2 0 256.350 -1.235 20 0 CAADRP C[C@H]1CCC[N@@H+]1CC(=O)NCCC[NH2+]CC(=O)NC(N)=O ZINC001166627395 780092511 /nfs/dbraw/zinc/09/25/11/780092511.db2.gz UVAUEKCOYRXZDT-JTQLQIEISA-N 2 0 299.375 -1.239 20 0 CAADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCCC[NH2+]CC(N)=O ZINC001166707737 780092921 /nfs/dbraw/zinc/09/29/21/780092921.db2.gz ISGBPCDALUJREM-NXEZZACHSA-N 2 0 256.350 -1.235 20 0 CAADRP C[C@@H]1CCC[N@@H+]1CC(=O)NCCC[NH2+]CC(=O)NC(N)=O ZINC001166627396 780092947 /nfs/dbraw/zinc/09/29/47/780092947.db2.gz UVAUEKCOYRXZDT-SNVBAGLBSA-N 2 0 299.375 -1.239 20 0 CAADRP CS(=O)(=O)N(c1cc(C[NH3+])ncn1)C1C[NH2+]C1 ZINC001166968200 780100098 /nfs/dbraw/zinc/10/00/98/780100098.db2.gz KAVOVKIAHDMLSZ-UHFFFAOYSA-N 2 0 257.319 -1.327 20 0 CAADRP CS(=O)(=O)N(c1cc2c(nn1)CC[NH2+]C2)C1C[NH2+]C1 ZINC001166970450 780100609 /nfs/dbraw/zinc/10/06/09/780100609.db2.gz NCQYIJUZMHGRHA-UHFFFAOYSA-N 2 0 283.357 -1.140 20 0 CAADRP [NH3+][C@@H]1CN(Cc2ccc(N3CC[NH2+]CC3)nc2)C[C@H]1O ZINC001205370067 780104418 /nfs/dbraw/zinc/10/44/18/780104418.db2.gz MBBVLFRTTZYPIV-CHWSQXEVSA-N 2 0 277.372 -1.005 20 0 CAADRP Cn1cc(C[N@@H+]2CCC[C@](O)(C[NH3+])CC2)c(=O)n(C)c1=O ZINC001205242573 780105222 /nfs/dbraw/zinc/10/52/22/780105222.db2.gz YEDBBIJEXUFJMC-CQSZACIVSA-N 2 0 296.371 -1.240 20 0 CAADRP Cn1cc(C[N@@H+]2CCCC[C@](O)(C[NH3+])C2)c(=O)n(C)c1=O ZINC001205690228 780105681 /nfs/dbraw/zinc/10/56/81/780105681.db2.gz UZDDHRLFXSKUAJ-AWEZNQCLSA-N 2 0 296.371 -1.240 20 0 CAADRP Cn1cc(C[N@@H+]2CCCC[C@@](O)(C[NH3+])C2)c(=O)n(C)c1=O ZINC001205690231 780106396 /nfs/dbraw/zinc/10/63/96/780106396.db2.gz UZDDHRLFXSKUAJ-CQSZACIVSA-N 2 0 296.371 -1.240 20 0 CAADRP [NH3+][C@@H]1CCN(Cc2cnc3n2CC[NH2+]CC3)C[C@H]1O ZINC001205953175 780108233 /nfs/dbraw/zinc/10/82/33/780108233.db2.gz MJSKJUUFQIYRAX-VXGBXAGGSA-N 2 0 265.361 -1.077 20 0 CAADRP Cc1[nH]c(=O)[nH]c(=O)c1C[N@@H+]1C[C@H](O)[C@@H](C[NH3+])C1 ZINC001206519581 780110955 /nfs/dbraw/zinc/11/09/55/780110955.db2.gz NISJBXQCWIPBEO-CBAPKCEASA-N 2 0 254.290 -1.052 20 0 CAADRP C[NH+](C)CCC(=O)N1CCC[C@@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001209445068 780134656 /nfs/dbraw/zinc/13/46/56/780134656.db2.gz KIYYYVINOIZDGS-SNVBAGLBSA-N 2 0 299.375 -1.286 20 0 CAADRP C[NH+](C)CCC(=O)N1CCC[C@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001209445065 780134754 /nfs/dbraw/zinc/13/47/54/780134754.db2.gz KIYYYVINOIZDGS-JTQLQIEISA-N 2 0 299.375 -1.286 20 0 CAADRP C[C@@H]1C[N@H+](CCO)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001210297116 780139177 /nfs/dbraw/zinc/13/91/77/780139177.db2.gz AMTMTGIIKOYGCN-VXGBXAGGSA-N 2 0 273.377 -1.007 20 0 CAADRP C[NH+](C)CCOCC(=O)N1CCC[C@@H]([NH2+]CC(N)=O)C1 ZINC001210684206 780139296 /nfs/dbraw/zinc/13/92/96/780139296.db2.gz FWWRAIHFAIUIIT-LLVKDONJSA-N 2 0 286.376 -1.370 20 0 CAADRP CO[C@@H]1C[N@H+](CCO)C[C@H]1NC(=O)CC[NH+](C)C ZINC001213378127 780145295 /nfs/dbraw/zinc/14/52/95/780145295.db2.gz DTUWSLAWBWRJNR-GHMZBOCLSA-N 2 0 259.350 -1.254 20 0 CAADRP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1[NH2+]CC(N)=O ZINC001215455928 780156858 /nfs/dbraw/zinc/15/68/58/780156858.db2.gz JTZGPVZVHLSFQD-NXEZZACHSA-N 2 0 256.350 -1.140 20 0 CAADRP C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1[NH2+]CC(N)=O ZINC001216400934 780157732 /nfs/dbraw/zinc/15/77/32/780157732.db2.gz FBZQOYDGYKORCG-GHMZBOCLSA-N 2 0 286.376 -1.514 20 0 CAADRP Cn1cnc(NC(=O)[C@H]2C[NH2+]C[C@@H]2N)c2ncnc1-2 ZINC001218494741 780164269 /nfs/dbraw/zinc/16/42/69/780164269.db2.gz MBKKWYFXVIHNLX-BQBZGAKWSA-N 2 0 261.289 -1.200 20 0 CAADRP Cn1cnc(NC(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)n1 ZINC001218503177 780165345 /nfs/dbraw/zinc/16/53/45/780165345.db2.gz DNMWWYDKJDJILE-SECBINFHSA-N 2 0 267.337 -1.496 20 0 CAADRP Cn1nnnc1NC(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001218497989 780165866 /nfs/dbraw/zinc/16/58/66/780165866.db2.gz WMZLMUXNFAUUEZ-GMSGAONNSA-N 2 0 251.294 -1.652 20 0 CAADRP [NH3+]CCSC[C@H]([NH3+])C(=O)Nc1ncnc2n[nH]nc21 ZINC001218515678 780167424 /nfs/dbraw/zinc/16/74/24/780167424.db2.gz KMZLNEDRLUNIHK-YFKPBYRVSA-N 2 0 282.333 -1.294 20 0 CAADRP O=C(N=c1ncnc2[nH][nH]cc1-2)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001218516635 780167614 /nfs/dbraw/zinc/16/76/14/780167614.db2.gz CAQWRMANWAMLJU-AMIZOPFISA-N 2 0 287.327 -1.136 20 0 CAADRP Cc1[nH][nH]c2ncnc(=NC(=O)[C@@H]3C[NH2+]CC34C[NH2+]C4)c1-2 ZINC001218531052 780168540 /nfs/dbraw/zinc/16/85/40/780168540.db2.gz ZVCGNUYZMMNVHL-QMMMGPOBSA-N 2 0 287.327 -1.218 20 0 CAADRP Nc1nonc1NC(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001218542866 780169108 /nfs/dbraw/zinc/16/91/08/780169108.db2.gz PUTIWJYNJFZMOU-ZETCQYMHSA-N 2 0 269.309 -1.659 20 0 CAADRP NC(=O)c1n[nH]cc1NC(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001218564916 780170752 /nfs/dbraw/zinc/17/07/52/780170752.db2.gz MYWWZCQVCFNJHC-LURJTMIESA-N 2 0 254.294 -1.097 20 0 CAADRP Cc1noc(NC(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)c1C(N)=O ZINC001218551300 780170795 /nfs/dbraw/zinc/17/07/95/780170795.db2.gz LPUHPXMDCQRPGT-SSDOTTSWSA-N 2 0 279.300 -1.171 20 0 CAADRP NC(=O)c1n[nH]cc1NC(=O)[C@@H]([NH3+])C1CC[NH2+]CC1 ZINC001218564607 780170850 /nfs/dbraw/zinc/17/08/50/780170850.db2.gz KWYHAVOFSBDYJX-QMMMGPOBSA-N 2 0 266.305 -1.226 20 0 CAADRP NC(=O)c1n[nH]cc1NC(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001218565539 780172400 /nfs/dbraw/zinc/17/24/00/780172400.db2.gz VKRWMJWCGUBCDH-JMCQJSRRSA-N 2 0 278.316 -1.354 20 0 CAADRP Nc1c(NC(=O)[C@@H]([NH3+])CSCC[NH3+])c(=O)c1=O ZINC001218587573 780173467 /nfs/dbraw/zinc/17/34/67/780173467.db2.gz MDTKJVRIAAMHCZ-BYPYZUCNSA-N 2 0 258.303 -2.178 20 0 CAADRP C[NH+](C)CCCC[C@H]([NH3+])C(=O)Nc1c(N)c(=O)c1=O ZINC001218587763 780173587 /nfs/dbraw/zinc/17/35/87/780173587.db2.gz GRCBYWJSEDQRMN-ZETCQYMHSA-N 2 0 268.317 -1.138 20 0 CAADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)Nc1c(N)c(=O)c1=O ZINC001218589321 780173872 /nfs/dbraw/zinc/17/38/72/780173872.db2.gz WZQOFTXPOBSQFF-LURJTMIESA-N 2 0 254.290 -1.480 20 0 CAADRP NC(=O)c1nccnc1NC(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001218617410 780175529 /nfs/dbraw/zinc/17/55/29/780175529.db2.gz GEBIDCTZTRXRHL-ZETCQYMHSA-N 2 0 266.305 -1.030 20 0 CAADRP COC(=O)Cn1cc(NC(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)cn1 ZINC001218610445 780175551 /nfs/dbraw/zinc/17/55/51/780175551.db2.gz OTTHJYYYFWXHTB-JTQLQIEISA-N 2 0 293.327 -1.196 20 0 CAADRP Cn1ncc(NC(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)n1 ZINC001218625771 780176493 /nfs/dbraw/zinc/17/64/93/780176493.db2.gz HWZVBCRTHKZGIO-SECBINFHSA-N 2 0 267.337 -1.496 20 0 CAADRP Cn1ncc(NC(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)n1 ZINC001218625772 780176596 /nfs/dbraw/zinc/17/65/96/780176596.db2.gz HWZVBCRTHKZGIO-VIFPVBQESA-N 2 0 267.337 -1.496 20 0 CAADRP Nc1cnc(NC(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)cn1 ZINC001218626461 780177117 /nfs/dbraw/zinc/17/71/17/780177117.db2.gz IZJDWQXQQJKSSK-VIFPVBQESA-N 2 0 279.348 -1.252 20 0 CAADRP [NH3+]CCCNCC(=O)Nc1cnn(C2C[NH2+]C2)c1 ZINC001218639680 780177811 /nfs/dbraw/zinc/17/78/11/780177811.db2.gz AEMUJGHRNVNXPA-UHFFFAOYSA-N 2 0 252.322 -1.096 20 0 CAADRP O=C(Nc1cnn(C2C[NH2+]C2)c1)[C@H]1C[C@@H](O)C[NH2+]1 ZINC001218639776 780177950 /nfs/dbraw/zinc/17/79/50/780177950.db2.gz BVPPLPQFWGWYJL-NXEZZACHSA-N 2 0 251.290 -1.311 20 0 CAADRP C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)Nc1cnn(C2C[NH2+]C2)c1 ZINC001218640082 780178243 /nfs/dbraw/zinc/17/82/43/780178243.db2.gz DXYDXIUPNRDSGU-XVKPBYJWSA-N 2 0 296.331 -2.210 20 0 CAADRP [NH3+]CC(=O)N1CCC[C@H]1C(=O)Nc1cnn(C2C[NH2+]C2)c1 ZINC001218640586 780178373 /nfs/dbraw/zinc/17/83/73/780178373.db2.gz KGBFHPROYUGOGB-NSHDSACASA-N 2 0 292.343 -1.084 20 0 CAADRP O=C(Nc1cnn(C2C[NH2+]C2)c1)[C@H]1[NH2+]CC[C@H]1O ZINC001218641957 780178633 /nfs/dbraw/zinc/17/86/33/780178633.db2.gz ZGNGQTMHGIPXNC-ZJUUUORDSA-N 2 0 251.290 -1.311 20 0 CAADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)Nc1cn[nH]c(=O)c1 ZINC001218652622 780178551 /nfs/dbraw/zinc/17/85/51/780178551.db2.gz MFOXDDOSIFMLGP-JTQLQIEISA-N 2 0 280.332 -1.129 20 0 CAADRP [NH3+]CCSC[C@H]([NH3+])C(=O)Nc1cnn(C2C[NH2+]C2)c1 ZINC001218639692 780178863 /nfs/dbraw/zinc/17/88/63/780178863.db2.gz ALOSOSCYJQFNIV-JTQLQIEISA-N 3 0 284.389 -1.015 20 0 CAADRP [NH3+][C@@H]1CN[C@H](C(=O)Nc2cnn(C3C[NH2+]C3)c2)C1 ZINC001218641951 780179002 /nfs/dbraw/zinc/17/90/02/780179002.db2.gz ZBLIPSCYZUSOMJ-XVKPBYJWSA-N 2 0 250.306 -1.345 20 0 CAADRP NC(=O)c1cnoc1NC(=O)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001218701668 780180898 /nfs/dbraw/zinc/18/08/98/780180898.db2.gz CLROPWANFDYOBX-SSDOTTSWSA-N 2 0 265.273 -1.479 20 0 CAADRP Cn1nncc1NC(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001218700186 780181159 /nfs/dbraw/zinc/18/11/59/780181159.db2.gz NBWBTXPDWPIMJP-SECBINFHSA-N 2 0 267.337 -1.496 20 0 CAADRP Nc1cn(C(=O)[C@H](N)CN2CCC([NH3+])CC2)ccc1=[NH2+] ZINC001218693477 780181283 /nfs/dbraw/zinc/18/12/83/780181283.db2.gz MCJVBYUPMBYKCL-GFCCVEGCSA-N 2 0 278.360 -1.060 20 0 CAADRP NC(=O)NCCC[C@@H]([NH3+])C(=O)n1ccc(=[NH2+])c(N)c1 ZINC001218691002 780181487 /nfs/dbraw/zinc/18/14/87/780181487.db2.gz DJMNILHUVJXJCW-MRVPVSSYSA-N 2 0 266.305 -1.034 20 0 CAADRP N[C@@H](C[NH3+])C(=O)Nc1ccccc1C(=O)N1CC[NH2+]CC1 ZINC001218879871 780186965 /nfs/dbraw/zinc/18/69/65/780186965.db2.gz JVPPOAOWGCRLGQ-NSHDSACASA-N 2 0 291.355 -1.044 20 0 CAADRP C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)Nc1ccc(C[NH3+])cc1 ZINC001219349737 780211343 /nfs/dbraw/zinc/21/13/43/780211343.db2.gz WYLHLSXDHGQOGD-KWQFWETISA-N 2 0 280.328 -1.092 20 0 CAADRP C[NH+](C)CCNC(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001219553568 780228465 /nfs/dbraw/zinc/22/84/65/780228465.db2.gz AOFSLMRLUDQDLA-LLVKDONJSA-N 3 0 257.382 -1.585 20 0 CAADRP C[C@@H](O)[C@@H](CO)NC(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001219558898 780230506 /nfs/dbraw/zinc/23/05/06/780230506.db2.gz ZKADUOIUOJKEQO-DNRKLUKYSA-N 2 0 257.334 -1.957 20 0 CAADRP C[NH+](C)CCNC(=O)CN(CC[NH3+])S(C)(=O)=O ZINC001219553923 780230899 /nfs/dbraw/zinc/23/08/99/780230899.db2.gz QYOLQKHGBVCILM-UHFFFAOYSA-N 2 0 266.367 -2.116 20 0 CAADRP C[C@@H](O)[C@@H](CO)NC(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001219558565 780230943 /nfs/dbraw/zinc/23/09/43/780230943.db2.gz QZZCNEJVJMNWFB-DVVUODLYSA-N 2 0 274.365 -2.405 20 0 CAADRP C[NH+](C)CCNC(=O)CNC(=O)[C@@H]([NH3+])COC(C)(C)C ZINC001219553808 780230949 /nfs/dbraw/zinc/23/09/49/780230949.db2.gz MQUIJRPDKNNWAP-JTQLQIEISA-N 2 0 288.392 -1.077 20 0 CAADRP C[C@H]([NH3+])C(=O)N1[C@H](C(=O)NCC[NH+](C)C)COC1(C)C ZINC001219554059 780230974 /nfs/dbraw/zinc/23/09/74/780230974.db2.gz UFFRAWDMWCXLFO-UWVGGRQHSA-N 2 0 286.376 -1.025 20 0 CAADRP COCCCNC(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001219557459 780230994 /nfs/dbraw/zinc/23/09/94/780230994.db2.gz AMZVGBHYXNYQIZ-NSHDSACASA-N 2 0 258.366 -1.111 20 0 CAADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)NCCn1ccnn1 ZINC001219565646 780231975 /nfs/dbraw/zinc/23/19/75/780231975.db2.gz LHOIMQYFUHKRDU-LLVKDONJSA-N 2 0 281.364 -1.855 20 0 CAADRP C[C@H]1CC[C@H](NC(=O)[C@H]2COC3(C[NH2+]C3)CN2)C[NH2+]1 ZINC001219583506 780233586 /nfs/dbraw/zinc/23/35/86/780233586.db2.gz YUHNHVIHQBFJLC-GARJFASQSA-N 2 0 268.361 -1.427 20 0 CAADRP [NH3+][C@H](C(=O)NCCC(=O)N1CCOCC1)C1CC[NH2+]CC1 ZINC001219573218 780233598 /nfs/dbraw/zinc/23/35/98/780233598.db2.gz IQJOGGFBELCZOY-ZDUSSCGKSA-N 2 0 298.387 -1.322 20 0 CAADRP C[C@H]1CC[C@H](NC(=O)[C@@H]2NC(=O)CC23C[NH2+]C3)C[NH2+]1 ZINC001219582844 780234307 /nfs/dbraw/zinc/23/43/07/780234307.db2.gz LKCIOMZGGUCQCM-QXEWZRGKSA-N 2 0 266.345 -1.279 20 0 CAADRP [NH3+][C@@H](C(=O)NCCC(=O)N1CCOCC1)C1CC[NH2+]CC1 ZINC001219573217 780234420 /nfs/dbraw/zinc/23/44/20/780234420.db2.gz IQJOGGFBELCZOY-CYBMUJFWSA-N 2 0 298.387 -1.322 20 0 CAADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N[C@H]1C=CS(=O)(=O)C1 ZINC001219945452 780278328 /nfs/dbraw/zinc/27/83/28/780278328.db2.gz KHSBYLBHFQLDCJ-IUCAKERBSA-N 2 0 261.347 -1.130 20 0 CAADRP CS(=O)(=O)N(CC[NH3+])C(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001219594025 780234879 /nfs/dbraw/zinc/23/48/79/780234879.db2.gz WXAIZMMHDIWYIH-QMMMGPOBSA-N 3 0 276.362 -2.458 20 0 CAADRP CS(=O)(=O)N(CC[NH3+])C(=O)[C@@H]1C[NH2+]CCN1 ZINC001219595617 780235172 /nfs/dbraw/zinc/23/51/72/780235172.db2.gz INHJVKJHMMLSBN-ZETCQYMHSA-N 2 0 250.324 -2.705 20 0 CAADRP CS(=O)(=O)N(CC[NH3+])C(=O)[C@@H](N)CSCC[NH3+] ZINC001219595664 780235245 /nfs/dbraw/zinc/23/52/45/780235245.db2.gz KCJAHMVCPVKZGZ-ZETCQYMHSA-N 2 0 284.407 -2.248 20 0 CAADRP CS(=O)(=O)N(CC[NH3+])C(=O)[C@@H]1COC2(C[NH2+]C2)CN1 ZINC001219593803 780235283 /nfs/dbraw/zinc/23/52/83/780235283.db2.gz KHJXLBCBFWOSES-QMMMGPOBSA-N 2 0 292.361 -2.936 20 0 CAADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N(CC[NH3+])S(C)(=O)=O ZINC001219593684 780235571 /nfs/dbraw/zinc/23/55/71/780235571.db2.gz DLSCXRDIVVWTAK-VIFPVBQESA-N 3 0 280.394 -1.550 20 0 CAADRP CS(=O)(=O)N(CC[NH3+])C(=O)C[C@H]1COCC[NH2+]1 ZINC001219595925 780236466 /nfs/dbraw/zinc/23/64/66/780236466.db2.gz WJYOOQBYBVTFKT-QMMMGPOBSA-N 2 0 265.335 -1.888 20 0 CAADRP CS(=O)(=O)N(CC[NH3+])C(=O)[C@@]1(N)CCC[NH2+]C1 ZINC001219595771 780236544 /nfs/dbraw/zinc/23/65/44/780236544.db2.gz OWCNAOYUEAWQER-SECBINFHSA-N 2 0 264.351 -2.186 20 0 CAADRP CS(=O)(=O)N(CC[NH3+])C(=O)[C@H]1C[NH2+]C[C@@H]1N ZINC001219595960 780236853 /nfs/dbraw/zinc/23/68/53/780236853.db2.gz YAFXOQPULRWXFS-BQBZGAKWSA-N 2 0 250.324 -2.720 20 0 CAADRP [NH3+][C@@H](Cc1cnc[nH]1)C(=O)NC[C@]1(O)CC[NH2+]C[C@@H]1F ZINC001219616061 780237731 /nfs/dbraw/zinc/23/77/31/780237731.db2.gz NOCHTBQDMVGURN-JBLDHEPKSA-N 2 0 285.323 -1.542 20 0 CAADRP [NH3+]CCNCC(=O)N[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC001219613588 780238091 /nfs/dbraw/zinc/23/80/91/780238091.db2.gz NIGOVJLIPPAETF-MRVPVSSYSA-N 2 0 254.256 -1.055 20 0 CAADRP O=C(N[C@]1(C(F)(F)F)CC[NH2+]C1)[C@@H]1C[NH2+]C[C@@H]1O ZINC001219609926 780238292 /nfs/dbraw/zinc/23/82/92/780238292.db2.gz ICGLTADKIJQGPJ-BKPPORCPSA-N 2 0 267.251 -1.023 20 0 CAADRP O=C(N[C@]1(C(F)(F)F)CC[NH2+]C1)[C@H]1C[NH2+]C[C@@H]1O ZINC001219609925 780238320 /nfs/dbraw/zinc/23/83/20/780238320.db2.gz ICGLTADKIJQGPJ-ACLDMZEESA-N 2 0 267.251 -1.023 20 0 CAADRP [NH3+]CCNCC(=O)N[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC001219613591 780238355 /nfs/dbraw/zinc/23/83/55/780238355.db2.gz NIGOVJLIPPAETF-QMMMGPOBSA-N 2 0 254.256 -1.055 20 0 CAADRP O=C(NC[C@]1(O)CC[NH2+]C[C@@H]1F)[C@@H]1C[NH2+]C[C@H](O)C1 ZINC001219617376 780239327 /nfs/dbraw/zinc/23/93/27/780239327.db2.gz LWVCGOPZXJTFOQ-MIZYBKAJSA-N 2 0 275.324 -1.865 20 0 CAADRP O=C(NC[C@]1(O)CC[NH2+]C[C@@H]1F)[C@H]1C[C@@H](O)C[NH2+]1 ZINC001219616697 780239366 /nfs/dbraw/zinc/23/93/66/780239366.db2.gz BTEWADBOFDFYFC-SDNRWEOFSA-N 2 0 261.297 -2.112 20 0 CAADRP O=C(COC1CC[NH2+]CC1)NC[C@]1(O)CC[NH2+]C[C@@H]1F ZINC001219616743 780239377 /nfs/dbraw/zinc/23/93/77/780239377.db2.gz CIGHSBRDMFVVRI-WCQYABFASA-N 2 0 289.351 -1.066 20 0 CAADRP C[C@@]1(C(=O)NC[C@]2(O)CC[NH2+]C[C@@H]2F)CC[NH2+]C[C@H]1O ZINC001219617757 780239465 /nfs/dbraw/zinc/23/94/65/780239465.db2.gz OXCPYXUZKJQKMD-XKAARJIMSA-N 2 0 289.351 -1.474 20 0 CAADRP O=C(NC[C@]1(O)CC[NH2+]C[C@@H]1F)C1(O)CC[NH2+]CC1 ZINC001219617930 780239494 /nfs/dbraw/zinc/23/94/94/780239494.db2.gz RFIQSNVVQXRPOH-JOYOIKCWSA-N 2 0 275.324 -1.720 20 0 CAADRP O=C(NC[C@]1(O)CC[NH2+]C[C@@H]1F)[C@@]12C[NH2+]C[C@H]1CCN2 ZINC001219617743 780239520 /nfs/dbraw/zinc/23/95/20/780239520.db2.gz OSIJMXCBOYRVBQ-LYIQGSDWSA-N 2 0 286.351 -1.883 20 0 CAADRP O=C(NC[C@]1(O)CC[NH2+]C[C@@H]1F)[C@]12C[NH2+]C[C@H]1CCN2 ZINC001219617741 780239621 /nfs/dbraw/zinc/23/96/21/780239621.db2.gz OSIJMXCBOYRVBQ-DNIRFERGSA-N 2 0 286.351 -1.883 20 0 CAADRP O=C(NC[C@]1(O)CC[NH2+]C[C@@H]1F)[C@H]1CCC2(C[NH2+]C2)O1 ZINC001219617944 780239735 /nfs/dbraw/zinc/23/97/35/780239735.db2.gz RSWFCXIEWMWSQU-GBIKHYSHSA-N 2 0 287.335 -1.314 20 0 CAADRP O=C(NC[C@]1(O)CC[NH2+]C[C@@H]1F)[C@]12C[NH2+]C[C@@H]1CCN2 ZINC001219617739 780239896 /nfs/dbraw/zinc/23/98/96/780239896.db2.gz OSIJMXCBOYRVBQ-DJIHRAIXSA-N 2 0 286.351 -1.883 20 0 CAADRP O=C(C[C@]1(O)CCC[NH2+]C1)NC[C@]1(O)CC[NH2+]C[C@@H]1F ZINC001219617947 780240178 /nfs/dbraw/zinc/24/01/78/780240178.db2.gz RUNVCPLXEXJNJD-CYZMBNFOSA-N 2 0 289.351 -1.330 20 0 CAADRP C[NH2+][C@H](C(=O)NC[C@]1(O)CC[NH2+]C[C@@H]1F)[C@@H](C)O ZINC001219619200 780240248 /nfs/dbraw/zinc/24/02/48/780240248.db2.gz BJNJBMBILXPZBF-UYAYMFIHSA-N 2 0 263.313 -1.866 20 0 CAADRP O=C(NC[C@]1(O)CC[NH2+]C[C@@H]1F)[C@@H]1CCC2(C[NH2+]C2)O1 ZINC001219617945 780240391 /nfs/dbraw/zinc/24/03/91/780240391.db2.gz RSWFCXIEWMWSQU-OUJBWJOFSA-N 2 0 287.335 -1.314 20 0 CAADRP C[C@]1(C(=O)NC[C@]2(O)CC[NH2+]C[C@@H]2F)CC[NH2+]C[C@H]1O ZINC001219617755 780240404 /nfs/dbraw/zinc/24/04/04/780240404.db2.gz OXCPYXUZKJQKMD-JULQROHOSA-N 2 0 289.351 -1.474 20 0 CAADRP O=C(NC[C@]1(O)CC[NH2+]C[C@@H]1F)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001219616742 780240515 /nfs/dbraw/zinc/24/05/15/780240515.db2.gz CFJMDSUFVSZIKH-OUJBWJOFSA-N 3 0 286.351 -2.026 20 0 CAADRP [NH3+][C@@H]1CC[C@@H](C(=O)NC[C@]2(O)CC[NH2+]C[C@@H]2F)OC1 ZINC001219620317 780241126 /nfs/dbraw/zinc/24/11/26/780241126.db2.gz ZVLJCXBIADIICO-FYLLDIAZSA-N 2 0 275.324 -1.329 20 0 CAADRP NC1(C(=O)NC[C@]2(O)CC[NH2+]C[C@@H]2F)CC[NH2+]CC1 ZINC001219619420 780241284 /nfs/dbraw/zinc/24/12/84/780241284.db2.gz HOEYNWDHMZIQKV-JOYOIKCWSA-N 2 0 274.340 -1.754 20 0 CAADRP CN1CC[N@H+](C)C[C@@H]1C(=O)NC[C@]1(O)CC[NH2+]C[C@@H]1F ZINC001219622680 780241448 /nfs/dbraw/zinc/24/14/48/780241448.db2.gz YTRGNKGAEYWHKS-NTZNESFSSA-N 2 0 288.367 -1.589 20 0 CAADRP [NH3+][C@H]1CN[C@H](C(=O)NC[C@]2(O)CC[NH2+]C[C@@H]2F)C1 ZINC001219619595 780241543 /nfs/dbraw/zinc/24/15/43/780241543.db2.gz LFUDWDGXIGYDIC-UYAYMFIHSA-N 2 0 260.313 -2.146 20 0 CAADRP N[C@@]1(C(=O)NC[C@]2(O)CC[NH2+]C[C@@H]2F)CCC[NH2+]C1 ZINC001219620268 780241622 /nfs/dbraw/zinc/24/16/22/780241622.db2.gz YJCCOMJFUJLVLD-ZMLRMANQSA-N 2 0 274.340 -1.754 20 0 CAADRP N[C@H]1C[NH2+]C[C@@H]1C(=O)NC[C@]1(O)CC[NH2+]C[C@@H]1F ZINC001219622000 780241674 /nfs/dbraw/zinc/24/16/74/780241674.db2.gz MDFFVFGQPOSBPB-FTYOSLGDSA-N 2 0 260.313 -2.288 20 0 CAADRP NC(=[NH2+])NCCCCC(=O)NC[C@]1(O)CC[NH2+]C[C@@H]1F ZINC001219620319 780241687 /nfs/dbraw/zinc/24/16/87/780241687.db2.gz ZWUKWMRXKCFRKO-JOYOIKCWSA-N 2 0 289.355 -1.182 20 0 CAADRP [NH3+][C@H](C(=O)NC[C@]1(O)CC[NH2+]C[C@@H]1F)C1CC[NH2+]CC1 ZINC001219620113 780241750 /nfs/dbraw/zinc/24/17/50/780241750.db2.gz WJZGHXOXJPCBRB-GMXVVIOVSA-N 3 0 288.367 -1.508 20 0 CAADRP O=C(NC[C@]1(O)CC[NH2+]C[C@@H]1F)[C@H]1C[NH2+]C[C@H]1O ZINC001219619635 780241989 /nfs/dbraw/zinc/24/19/89/780241989.db2.gz LZPBPAIRHFFQAP-QCBRBAQYSA-N 2 0 261.297 -2.255 20 0 CAADRP [NH3+][C@@H](C(=O)NC[C@]1(O)CC[NH2+]C[C@@H]1F)C1CC[NH2+]CC1 ZINC001219620112 780242139 /nfs/dbraw/zinc/24/21/39/780242139.db2.gz WJZGHXOXJPCBRB-DMDPSCGWSA-N 3 0 288.367 -1.508 20 0 CAADRP O=C(NC[C@]1(O)CC[NH2+]C[C@@H]1F)[C@@H]1C[NH2+]C[C@H]1O ZINC001219619637 780242279 /nfs/dbraw/zinc/24/22/79/780242279.db2.gz LZPBPAIRHFFQAP-SDNRWEOFSA-N 2 0 261.297 -2.255 20 0 CAADRP O=C(C[C@H]1COCC[NH2+]1)NC[C@]1(O)CC[NH2+]C[C@@H]1F ZINC001219621918 780242399 /nfs/dbraw/zinc/24/23/99/780242399.db2.gz JEOHTDOFHKHXKT-JBLDHEPKSA-N 2 0 275.324 -1.456 20 0 CAADRP C[S@@](=O)CC[C@H]([NH3+])C(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC001219635320 780243813 /nfs/dbraw/zinc/24/38/13/780243813.db2.gz AMXYKFIUGZFISQ-XUXUHJBISA-N 2 0 265.354 -1.102 20 0 CAADRP Cn1cnc(CCNC(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)c1 ZINC001219633921 780243818 /nfs/dbraw/zinc/24/38/18/780243818.db2.gz JALARIPFVKLWLB-ZDUSSCGKSA-N 2 0 294.403 -1.171 20 0 CAADRP NC(=O)NCCC[C@@H]([NH3+])C(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC001219635398 780243948 /nfs/dbraw/zinc/24/39/48/780243948.db2.gz FHXFOZDPACBXGO-XHNCKOQMSA-N 2 0 275.328 -1.422 20 0 CAADRP C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)NC[C@H]1C[NH2+]C[C@H](C)C1 ZINC001219650760 780244843 /nfs/dbraw/zinc/24/48/43/780244843.db2.gz QQJKUXONLYYQKN-YTWAJWBKSA-N 2 0 286.376 -1.828 20 0 CAADRP C[C@@H]1C[NH2+]C[C@H](CNC(=O)[C@H]2NC(=O)CC23C[NH2+]C3)C1 ZINC001219640833 780244959 /nfs/dbraw/zinc/24/49/59/780244959.db2.gz CHGMDASTJOUFAG-HOSYDEDBSA-N 2 0 280.372 -1.174 20 0 CAADRP [NH3+][C@H](C(=O)N[C@H]1CCS(=O)(=O)C1)C1CC[NH2+]CC1 ZINC001219671663 780245317 /nfs/dbraw/zinc/24/53/17/780245317.db2.gz NLQOPAWYEIAXSM-UWVGGRQHSA-N 2 0 275.374 -1.383 20 0 CAADRP C[C@@H]1C[NH2+]C[C@@H](CNC(=O)/C=C/C(=O)NCC[NH3+])C1 ZINC001219641884 780245364 /nfs/dbraw/zinc/24/53/64/780245364.db2.gz MMAVTTOBVHZDRV-ZNRGBCAMSA-N 2 0 268.361 -1.021 20 0 CAADRP C[C@@H]1C[NH2+]C[C@@H](CNC(=O)[C@@H]2NC(=O)CC23C[NH2+]C3)C1 ZINC001219640836 780245801 /nfs/dbraw/zinc/24/58/01/780245801.db2.gz CHGMDASTJOUFAG-NHCYSSNCSA-N 2 0 280.372 -1.174 20 0 CAADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC001219671526 780247701 /nfs/dbraw/zinc/24/77/01/780247701.db2.gz IYAZXEXNYAHIKT-BDAKNGLRSA-N 2 0 263.363 -1.254 20 0 CAADRP CN(C(=O)CCNC(=O)[C@H]1C[NH2+]CC12C[NH2+]C2)C1CC1 ZINC001219692701 780248145 /nfs/dbraw/zinc/24/81/45/780248145.db2.gz FMVMQEGFCIQSHU-LLVKDONJSA-N 2 0 280.372 -1.078 20 0 CAADRP C[C@@H]1C[C@@H](CNC(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)C[NH2+]1 ZINC001219684842 780248499 /nfs/dbraw/zinc/24/84/99/780248499.db2.gz TWDVYEAUDVQULO-MXWKQRLJSA-N 3 0 252.362 -1.090 20 0 CAADRP CN1CCO[C@H](CNC(=O)[C@@H]([NH3+])C2CC[NH2+]CC2)C1 ZINC001219694160 780248515 /nfs/dbraw/zinc/24/85/15/780248515.db2.gz FYWLTHRDFSEARF-NEPJUHHUSA-N 2 0 270.377 -1.240 20 0 CAADRP CN1CCO[C@@H](CNC(=O)[C@H]([NH3+])C2CC[NH2+]CC2)C1 ZINC001219694161 780249226 /nfs/dbraw/zinc/24/92/26/780249226.db2.gz FYWLTHRDFSEARF-NWDGAFQWSA-N 2 0 270.377 -1.240 20 0 CAADRP CN1CCO[C@H](CNC(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)C1 ZINC001219695100 780249824 /nfs/dbraw/zinc/24/98/24/780249824.db2.gz PUVBFOKAGWKWIY-YRGRVCCFSA-N 2 0 282.388 -1.368 20 0 CAADRP CN1CCO[C@H](CNC(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)C1 ZINC001219695470 780249847 /nfs/dbraw/zinc/24/98/47/780249847.db2.gz USTZOBWWOZKJSR-GHMZBOCLSA-N 2 0 268.361 -1.758 20 0 CAADRP [NH3+]CCCC[C@H]([NH3+])CC(=O)NCCC1(O)C[NH2+]C1 ZINC001219696484 780249893 /nfs/dbraw/zinc/24/98/93/780249893.db2.gz JKGVCWWNCNQHTM-JTQLQIEISA-N 3 0 258.366 -1.327 20 0 CAADRP CS(=O)(=O)N(CC[NH3+])CC(=O)NCCC1(O)C[NH2+]C1 ZINC001219696189 780249954 /nfs/dbraw/zinc/24/99/54/780249954.db2.gz BZBWFKZYCJPWQE-UHFFFAOYSA-N 2 0 294.377 -2.953 20 0 CAADRP CN1CCO[C@@H](CNC(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)C1 ZINC001219695097 780249957 /nfs/dbraw/zinc/24/99/57/780249957.db2.gz PUVBFOKAGWKWIY-MBNYWOFBSA-N 2 0 282.388 -1.368 20 0 CAADRP O=C(NCCC1(O)C[NH2+]C1)[C@H]1CCCN([C@@H]2CC[NH2+]C2)C1 ZINC001219697917 780249987 /nfs/dbraw/zinc/24/99/87/780249987.db2.gz ZZBAAPNPGOOKPP-QWHCGFSZSA-N 2 0 296.415 -1.099 20 0 CAADRP O=C(NCCC1(O)C[NH2+]C1)[C@@H]1CCCN([C@H]2CC[NH2+]C2)C1 ZINC001219697916 780250179 /nfs/dbraw/zinc/25/01/79/780250179.db2.gz ZZBAAPNPGOOKPP-OLZOCXBDSA-N 2 0 296.415 -1.099 20 0 CAADRP O=C(NCCC1(O)C[NH2+]C1)[C@@H]1COC2(C[NH2+]C2)CN1 ZINC001219697895 780250606 /nfs/dbraw/zinc/25/06/06/780250606.db2.gz ZTSBDORCFSYUBE-VIFPVBQESA-N 2 0 270.333 -2.843 20 0 CAADRP O=C(NCCC1(O)C[NH2+]C1)[C@]12C[NH2+]C[C@@H]1CCN2 ZINC001219696200 780250749 /nfs/dbraw/zinc/25/07/49/780250749.db2.gz CCJDNQSHZDXRIE-CABZTGNLSA-N 2 0 254.334 -2.222 20 0 CAADRP O=C(CNC1CC[NH2+]CC1)NCCC1(O)C[NH2+]C1 ZINC001219697028 780250926 /nfs/dbraw/zinc/25/09/26/780250926.db2.gz OWTUKGDHZZRCGE-UHFFFAOYSA-N 2 0 256.350 -1.831 20 0 CAADRP NC(=[NH2+])NCCCCC(=O)NCCC1(O)C[NH2+]C1 ZINC001219697417 780251018 /nfs/dbraw/zinc/25/10/18/780251018.db2.gz URJVXHNEVDIEAS-UHFFFAOYSA-N 2 0 257.338 -1.520 20 0 CAADRP CN1CCO[C@@H](CNC(=O)[C@@H]([NH3+])C2CC[NH2+]CC2)C1 ZINC001219694162 780251089 /nfs/dbraw/zinc/25/10/89/780251089.db2.gz FYWLTHRDFSEARF-RYUDHWBXSA-N 2 0 270.377 -1.240 20 0 CAADRP O=C(N[C@@H]1C[NH2+]C[C@H]1O)[C@H]1CO[C@]2(C1)CCC[NH2+]CC2 ZINC001219712824 780251700 /nfs/dbraw/zinc/25/17/00/780251700.db2.gz XFXZCJZYKDIMCJ-HKUMRIAESA-N 2 0 283.372 -1.016 20 0 CAADRP [NH3+][C@H]1CCCCN(CC(=O)N[C@@H]2C[NH2+]C[C@H]2O)C1=O ZINC001219714489 780252547 /nfs/dbraw/zinc/25/25/47/780252547.db2.gz MQOLXMKRRITPIZ-IVZWLZJFSA-N 2 0 270.333 -2.225 20 0 CAADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)N[C@@H]1C[NH2+]C[C@H]1O ZINC001219714758 780252642 /nfs/dbraw/zinc/25/26/42/780252642.db2.gz XHTNTYYSZLSQHK-GMTAPVOTSA-N 3 0 271.365 -2.814 20 0 CAADRP [NH3+][C@H](C(=O)N[C@@H]1C[NH2+]C[C@H]1O)C1CCC(O)CC1 ZINC001219714534 780252661 /nfs/dbraw/zinc/25/26/61/780252661.db2.gz NVIAHGKIGCMEMW-LKGNBDPISA-N 2 0 257.334 -1.686 20 0 CAADRP O=C(N[C@@H]1C[NH2+]C[C@H]1O)[C@@H]1CCCN([C@@H]2CC[NH2+]C2)C1 ZINC001219714139 780252672 /nfs/dbraw/zinc/25/26/72/780252672.db2.gz FEDTYDIIHNSLBP-FDYHWXHSSA-N 2 0 282.388 -1.491 20 0 CAADRP [NH3+][C@H]1COC[C@H]1NC(=O)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001219720871 780252678 /nfs/dbraw/zinc/25/26/78/780252678.db2.gz UEERZTVTWLHQJU-HBNTYKKESA-N 3 0 268.361 -1.297 20 0 CAADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)N[C@@H]1COC[C@@H]1[NH3+] ZINC001219720291 780253021 /nfs/dbraw/zinc/25/30/21/780253021.db2.gz HYSOEPLZMXZIMI-OUAUKWLOSA-N 3 0 271.365 -2.421 20 0 CAADRP O=C(NC[C@@H]1CC2(C[NH2+]C2)CO1)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC001219736178 780253066 /nfs/dbraw/zinc/25/30/66/780253066.db2.gz BNDZDHQHVALTGF-UKKRHICBSA-N 2 0 251.330 -1.054 20 0 CAADRP [NH3+]CC(=O)N1CCC[C@H]1C(=O)NC[C@H]1CC2(C[NH2+]C2)CO1 ZINC001219736162 780253252 /nfs/dbraw/zinc/25/32/52/780253252.db2.gz BIPRIYUEFHCJPW-MNOVXSKESA-N 2 0 296.371 -1.569 20 0 CAADRP N[C@@]1(C(=O)NC[C@@H]2CC3(C[NH2+]C3)CO2)CCC[NH2+]C1 ZINC001219737321 780253424 /nfs/dbraw/zinc/25/34/24/780253424.db2.gz SVQVFMDAZUQHDM-GWCFXTLKSA-N 2 0 268.361 -1.438 20 0 CAADRP [NH3+]CC(=O)N1CCC[C@H]1C(=O)NC[C@@H]1CC2(C[NH2+]C2)CO1 ZINC001219736172 780253476 /nfs/dbraw/zinc/25/34/76/780253476.db2.gz BIPRIYUEFHCJPW-QWRGUYRKSA-N 2 0 296.371 -1.569 20 0 CAADRP CC(C)C[C@H](NC(=O)C[NH3+])C(=O)N[C@@H]1COC[C@@H]1[NH3+] ZINC001219720897 780253535 /nfs/dbraw/zinc/25/35/35/780253535.db2.gz URWNLYFSEJDIML-LPEHRKFASA-N 2 0 272.349 -1.682 20 0 CAADRP N[C@]1(C(=O)NC[C@H]2CC3(C[NH2+]C3)CO2)CCC[NH2+]C1 ZINC001219737324 780253599 /nfs/dbraw/zinc/25/35/99/780253599.db2.gz SVQVFMDAZUQHDM-ZWNOBZJWSA-N 2 0 268.361 -1.438 20 0 CAADRP N[C@]1(C(=O)NC[C@@H]2CC3(C[NH2+]C3)CO2)CCC[NH2+]C1 ZINC001219737322 780253687 /nfs/dbraw/zinc/25/36/87/780253687.db2.gz SVQVFMDAZUQHDM-GXFFZTMASA-N 2 0 268.361 -1.438 20 0 CAADRP [NH3+][C@H](C(=O)N[C@@H]1COC[C@@H]1[NH3+])C1CCC(O)CC1 ZINC001219720710 780253966 /nfs/dbraw/zinc/25/39/66/780253966.db2.gz PTSPDEPIIAXAJJ-XMQAKKJDSA-N 2 0 257.334 -1.293 20 0 CAADRP [NH3+][C@H]1COC[C@H]1NC(=O)[C@@H]1COC2(C[NH2+]C2)CN1 ZINC001219720853 780253980 /nfs/dbraw/zinc/25/39/80/780253980.db2.gz SUKFDAUBHKLBQL-YIZRAAEISA-N 2 0 256.306 -2.841 20 0 CAADRP CC[C@H](C)[C@H]([NH3+])C(=O)NCC(=O)N[C@@H]1COC[C@@H]1[NH3+] ZINC001219720133 780254284 /nfs/dbraw/zinc/25/42/84/780254284.db2.gz HCCFPLYNUUZEPO-CKEKPRIKSA-N 2 0 272.349 -1.682 20 0 CAADRP N[C@@]1(C(=O)NC[C@@H]2CC3(C[NH2+]C3)CO2)CC[NH2+]C1 ZINC001219737136 780254998 /nfs/dbraw/zinc/25/49/98/780254998.db2.gz PJSYRPSYKBINJK-CABZTGNLSA-N 2 0 254.334 -1.828 20 0 CAADRP N[C@H]1C[NH2+]C[C@@H]1C(=O)NC[C@H]1CC2(C[NH2+]C2)CO1 ZINC001219739702 780255097 /nfs/dbraw/zinc/25/50/97/780255097.db2.gz VOOQTYRXUWWADC-UTLUCORTSA-N 2 0 254.334 -1.972 20 0 CAADRP NC1(C(=O)NC[C@H]2CC3(C[NH2+]C3)CO2)CC[NH2+]CC1 ZINC001219737042 780255154 /nfs/dbraw/zinc/25/51/54/780255154.db2.gz NKZMRPWIVKTNDF-SNVBAGLBSA-N 2 0 268.361 -1.438 20 0 CAADRP O=C(NC[C@@H]1CC2(C[NH2+]C2)CO1)[C@H]1[NH2+]CC[C@@H]1O ZINC001219739509 780255193 /nfs/dbraw/zinc/25/51/93/780255193.db2.gz QHJIEOYXWQSWOX-GUBZILKMSA-N 2 0 255.318 -1.796 20 0 CAADRP [NH3+]CCC[C@@H]([NH3+])C(=O)NC[C@@H]1CC2(C[NH2+]C2)CO1 ZINC001219737219 780255226 /nfs/dbraw/zinc/25/52/26/780255226.db2.gz QTDKSKGGMSRZAY-VHSXEESVSA-N 3 0 256.350 -1.453 20 0 CAADRP O=C(NC[C@@H]1CC2(C[NH2+]C2)CO1)[C@@H]1C[NH2+]C[C@H]1O ZINC001219737531 780255268 /nfs/dbraw/zinc/25/52/68/780255268.db2.gz YKSWFNFGSJKELL-IVZWLZJFSA-N 2 0 255.318 -1.939 20 0 CAADRP O=C(NC[C@@H]1CC2(C[NH2+]C2)CO1)[C@H]1C[NH2+]C[C@@H]1O ZINC001219737530 780255342 /nfs/dbraw/zinc/25/53/42/780255342.db2.gz YKSWFNFGSJKELL-GUBZILKMSA-N 2 0 255.318 -1.939 20 0 CAADRP O=C(NC[C@@H]1CC2(C[NH2+]C2)CO1)[C@H]1C[C@@H](O)C[NH2+]1 ZINC001219737009 780255372 /nfs/dbraw/zinc/25/53/72/780255372.db2.gz MRECPNGNSNTUPV-KXUCPTDWSA-N 2 0 255.318 -1.796 20 0 CAADRP O=C(C[C@H]1COCC[NH2+]1)NC[C@H]1CC2(C[NH2+]C2)CO1 ZINC001219739074 780255575 /nfs/dbraw/zinc/25/55/75/780255575.db2.gz GLJHSCPWSNNZOH-WDEREUQCSA-N 2 0 269.345 -1.140 20 0 CAADRP N[C@H]1C[NH2+]C[C@@H]1C(=O)NC[C@@H]1CC2(C[NH2+]C2)CO1 ZINC001219739701 780255591 /nfs/dbraw/zinc/25/55/91/780255591.db2.gz VOOQTYRXUWWADC-GUBZILKMSA-N 2 0 254.334 -1.972 20 0 CAADRP [NH3+]CCC[C@H]([NH3+])C(=O)NC[C@@H]1CC2(C[NH2+]C2)CO1 ZINC001219737218 780255603 /nfs/dbraw/zinc/25/56/03/780255603.db2.gz QTDKSKGGMSRZAY-UWVGGRQHSA-N 3 0 256.350 -1.453 20 0 CAADRP O=C(NC[C@@H]1CC2(C[NH2+]C2)CO1)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001219737130 780255659 /nfs/dbraw/zinc/25/56/59/780255659.db2.gz PDKRUXUOQWZWEU-TYNCELHUSA-N 3 0 294.399 -1.320 20 0 CAADRP O=C(NC[C@@H]1CC2(C[NH2+]C2)CO1)[C@]12C[NH2+]C[C@H]1CCN2 ZINC001219737277 780255724 /nfs/dbraw/zinc/25/57/24/780255724.db2.gz RUPKCBQVZRMEOA-SUNKGSAMSA-N 2 0 280.372 -1.567 20 0 CAADRP [NH3+]CCCC[C@H]([NH3+])C(=O)NC[C@H]1CC2(C[NH2+]C2)CO1 ZINC001219737355 780255805 /nfs/dbraw/zinc/25/58/05/780255805.db2.gz UHQDJUUGRSOLER-MNOVXSKESA-N 3 0 270.377 -1.063 20 0 CAADRP O=C(NC[C@H]1CC2(C[NH2+]C2)CO1)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001219737129 780255845 /nfs/dbraw/zinc/25/58/45/780255845.db2.gz PDKRUXUOQWZWEU-LALPHHSUSA-N 3 0 294.399 -1.320 20 0 CAADRP O=C(NC[C@@H]1CC2(C[NH2+]C2)CO1)[C@H]1[NH2+]CC[C@H]1O ZINC001219739507 780255962 /nfs/dbraw/zinc/25/59/62/780255962.db2.gz QHJIEOYXWQSWOX-AEJSXWLSSA-N 2 0 255.318 -1.796 20 0 CAADRP [NH3+][C@H]1CN[C@H](C(=O)NC[C@H]2CC3(C[NH2+]C3)CO2)C1 ZINC001219737553 780255974 /nfs/dbraw/zinc/25/59/74/780255974.db2.gz YZKMHYOGVPJUKL-BBBLOLIVSA-N 2 0 254.334 -1.830 20 0 CAADRP [NH3+]CCC[C@H]([NH3+])C(=O)NCc1nnc2n1CCC[NH2+]C2 ZINC001219746957 780256522 /nfs/dbraw/zinc/25/65/22/780256522.db2.gz OZGFJAXDVKBUFE-VIFPVBQESA-N 3 0 281.364 -1.546 20 0 CAADRP O=C(NCc1nnc2n1CCC[NH2+]C2)[C@H]1C[C@@H](O)C[NH2+]1 ZINC001219749350 780256583 /nfs/dbraw/zinc/25/65/83/780256583.db2.gz LPOAKDNCJCMWQD-RKDXNWHRSA-N 2 0 280.332 -1.890 20 0 CAADRP N[C@@H](C[NH3+])C(=O)NC[C@@H]1CCC2(CC[NH2+]CC2)O1 ZINC001219743803 780256599 /nfs/dbraw/zinc/25/65/99/780256599.db2.gz MLRCJIPCCVMMTC-UWVGGRQHSA-N 2 0 256.350 -1.310 20 0 CAADRP [NH3+]CCC[NH2+]CC(=O)NCc1nnc2n1CCC[NH2+]C2 ZINC001219748777 780256661 /nfs/dbraw/zinc/25/66/61/780256661.db2.gz BPDBRDGXSWRUAD-UHFFFAOYSA-N 3 0 281.364 -1.674 20 0 CAADRP CC(=O)OC[C@H]([NH3+])C(=O)NCc1nnc2n1CCC[NH2+]C2 ZINC001219749213 780256679 /nfs/dbraw/zinc/25/66/79/780256679.db2.gz KEIQAQFKTWQHHX-VIFPVBQESA-N 2 0 296.331 -1.722 20 0 CAADRP O=C(NC[C@H]1CCC2(CC[NH2+]CC2)O1)[C@@H]1C[NH2+]CCN1 ZINC001219743741 780256921 /nfs/dbraw/zinc/25/69/21/780256921.db2.gz KWBVVQNOUPAKBQ-NEPJUHHUSA-N 2 0 282.388 -1.035 20 0 CAADRP O=C(NCc1nnc2n1CCC[NH2+]C2)[C@H]1C[NH2+]C[C@H]1O ZINC001219749215 780257201 /nfs/dbraw/zinc/25/72/01/780257201.db2.gz KGGWLKMTRKOZBE-DTWKUNHWSA-N 2 0 280.332 -2.032 20 0 CAADRP C[NH2+]CCC(=O)NCc1nnc2n1CCC[NH2+]C2 ZINC001219748809 780257233 /nfs/dbraw/zinc/25/72/33/780257233.db2.gz CSGDJFLCKFEKHD-UHFFFAOYSA-N 2 0 252.322 -1.003 20 0 CAADRP C[C@@H](C[NH3+])C(=O)NCc1nnc2n1CCC[NH2+]C2 ZINC001219749362 780257245 /nfs/dbraw/zinc/25/72/45/780257245.db2.gz LVNDENYIXLAZFZ-QMMMGPOBSA-N 2 0 252.322 -1.018 20 0 CAADRP O=C(NC[C@@H]1CCC2(CC[NH2+]CC2)O1)[C@H]1C[NH2+]C[C@H]1O ZINC001219744146 780257272 /nfs/dbraw/zinc/25/72/72/780257272.db2.gz TUZLBISKZDIBTB-SDDRHHMPSA-N 2 0 283.372 -1.016 20 0 CAADRP N[C@]1(C(=O)NCc2nnc3n2CCC[NH2+]C3)CCC[NH2+]C1 ZINC001219750267 780257347 /nfs/dbraw/zinc/25/73/47/780257347.db2.gz ZMJNRHJMGLPATL-CYBMUJFWSA-N 2 0 293.375 -1.532 20 0 CAADRP O=C(NC[C@@H]1CCC2(CC[NH2+]CC2)O1)[C@H]1C[NH2+]CCN1 ZINC001219743742 780257436 /nfs/dbraw/zinc/25/74/36/780257436.db2.gz KWBVVQNOUPAKBQ-NWDGAFQWSA-N 2 0 282.388 -1.035 20 0 CAADRP O=C(NC[C@@H]1CCC2(CC[NH2+]CC2)O1)[C@@H]1C[NH2+]CCN1 ZINC001219743743 780257632 /nfs/dbraw/zinc/25/76/32/780257632.db2.gz KWBVVQNOUPAKBQ-RYUDHWBXSA-N 2 0 282.388 -1.035 20 0 CAADRP [NH3+]CCC[C@@H]([NH3+])C(=O)NC[C@H]1C[C@H]2CNCC[N@@H+]2C1 ZINC001219765015 780258245 /nfs/dbraw/zinc/25/82/45/780258245.db2.gz RVLVVWGACFHMCW-GRYCIOLGSA-N 3 0 269.393 -1.538 20 0 CAADRP [NH3+][C@@H](C(=O)NC[C@H]1C[C@H]2CNCC[N@@H+]2C1)C1CC[NH2+]CC1 ZINC001219766185 780258608 /nfs/dbraw/zinc/25/86/08/780258608.db2.gz NMSNNCREOWOYCH-KWCYVHTRSA-N 3 0 295.431 -1.277 20 0 CAADRP O=C(NC[C@@]1(F)CCC[NH2+]C1)[C@H]1COC2(C[NH2+]C2)CN1 ZINC001219767809 780258713 /nfs/dbraw/zinc/25/87/13/780258713.db2.gz FIYPEZYOYJCWFS-ZYHUDNBSSA-N 2 0 286.351 -1.475 20 0 CAADRP O=C(NC[C@H]1C[C@H]2CNCC[N@@H+]2C1)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1 ZINC001219765052 780259000 /nfs/dbraw/zinc/25/90/00/780259000.db2.gz SYQUPZBBGFMXPE-IKOXMDCHSA-N 2 0 293.415 -1.654 20 0 CAADRP [NH3+][C@H](C(=O)NC[C@H]1C[C@H]2CNCC[N@@H+]2C1)C1CC[NH2+]CC1 ZINC001219766187 780259492 /nfs/dbraw/zinc/25/94/92/780259492.db2.gz NMSNNCREOWOYCH-XBFCOCLRSA-N 3 0 295.431 -1.277 20 0 CAADRP O=C(NC[C@H]1C[C@H]2CNCC[N@@H+]2C1)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001219764199 780259594 /nfs/dbraw/zinc/25/95/94/780259594.db2.gz AMIOFYAPHQNFIG-AGIUHOORSA-N 3 0 293.415 -1.795 20 0 CAADRP O=C(NC[C@H]1C[C@H]2CNCC[N@@H+]2C1)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001219764201 780259774 /nfs/dbraw/zinc/25/97/74/780259774.db2.gz AMIOFYAPHQNFIG-FRRDWIJNSA-N 3 0 293.415 -1.795 20 0 CAADRP O=C(NC1CC[NH+](C2CC[NH2+]CC2)CC1)[C@@H]1C[NH2+]C[C@H]1O ZINC001219796120 780260283 /nfs/dbraw/zinc/26/02/83/780260283.db2.gz NDLOZWZAFMPYLI-ZIAGYGMSSA-N 3 0 296.415 -1.101 20 0 CAADRP O=C(NCC[C@H]1CCOC12C[NH2+]C2)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1 ZINC001219799673 780260533 /nfs/dbraw/zinc/26/05/33/780260533.db2.gz ANPVPVVDBMUUQK-ZDEQEGDKSA-N 2 0 294.399 -1.179 20 0 CAADRP O=C(NC1CC[NH+](C2CC[NH2+]CC2)CC1)[C@@H]1C[NH2+]C[C@@H]1O ZINC001219796118 780260709 /nfs/dbraw/zinc/26/07/09/780260709.db2.gz NDLOZWZAFMPYLI-KGLIPLIRSA-N 3 0 296.415 -1.101 20 0 CAADRP N[C@@]1(C(=O)NCC[C@H]2CCOC23C[NH2+]C3)CC[NH2+]C1 ZINC001219800213 780260720 /nfs/dbraw/zinc/26/07/20/780260720.db2.gz HWTXSIXBIDZPQQ-JQWIXIFHSA-N 2 0 268.361 -1.438 20 0 CAADRP C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)NC[C@]1(F)CCC[NH2+]C1 ZINC001219771617 780260760 /nfs/dbraw/zinc/26/07/60/780260760.db2.gz QNSJXWFPXOLFRI-AUTRQRHGSA-N 2 0 290.339 -1.981 20 0 CAADRP N[C@@]1(C(=O)NCC[C@H]2CCOC23C[NH2+]C3)CCC[NH2+]C1 ZINC001219799787 780260836 /nfs/dbraw/zinc/26/08/36/780260836.db2.gz COPQLPAGMNZFEF-AAEUAGOBSA-N 2 0 282.388 -1.048 20 0 CAADRP N[C@]1(C(=O)NCC[C@H]2CCOC23C[NH2+]C3)CCC[NH2+]C1 ZINC001219799789 780260841 /nfs/dbraw/zinc/26/08/41/780260841.db2.gz COPQLPAGMNZFEF-WCQYABFASA-N 2 0 282.388 -1.048 20 0 CAADRP O=C(NCC[C@@H]1CCOC12C[NH2+]C2)[C@@H]1C[NH2+]C[C@@H]1O ZINC001219799794 780260904 /nfs/dbraw/zinc/26/09/04/780260904.db2.gz CPZAEQRRUHEAFI-MXWKQRLJSA-N 2 0 269.345 -1.549 20 0 CAADRP [NH3+]C[C@@H](O)CC(=O)NCC[C@H]1CCOC12C[NH2+]C2 ZINC001219800367 780260920 /nfs/dbraw/zinc/26/09/20/780260920.db2.gz IPMLITQAEUZTRO-UWVGGRQHSA-N 2 0 257.334 -1.419 20 0 CAADRP NC(=O)NCCC[C@@H]([NH3+])C(=O)NC[C@@]1(F)CCC[NH2+]C1 ZINC001219768889 780260934 /nfs/dbraw/zinc/26/09/34/780260934.db2.gz QIJFANPRLDXWKS-BXKDBHETSA-N 2 0 289.355 -1.030 20 0 CAADRP O=C(NC1CC[NH+](C2CC[NH2+]CC2)CC1)[C@H]1C[NH2+]C[C@H]1O ZINC001219796119 780261318 /nfs/dbraw/zinc/26/13/18/780261318.db2.gz NDLOZWZAFMPYLI-UONOGXRCSA-N 3 0 296.415 -1.101 20 0 CAADRP O=C(NC1CC2(C1)CC[NH2+]CC2)[C@@H]1COC2(C[NH2+]C2)CN1 ZINC001219773334 780261336 /nfs/dbraw/zinc/26/13/36/780261336.db2.gz QKRBMLOHNOXNDE-LBPRGKRZSA-N 2 0 294.399 -1.035 20 0 CAADRP [NH3+]CC(=O)NCC(=O)NC1CC2(C1)CC[NH2+]CC2 ZINC001219773038 780261419 /nfs/dbraw/zinc/26/14/19/780261419.db2.gz KFZBUTXMBLTPQY-UHFFFAOYSA-N 2 0 254.334 -1.290 20 0 CAADRP O=C(NCC[C@@H]1CCOC12C[NH2+]C2)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1 ZINC001219799672 780261561 /nfs/dbraw/zinc/26/15/61/780261561.db2.gz ANPVPVVDBMUUQK-QNWHQSFQSA-N 2 0 294.399 -1.179 20 0 CAADRP [NH3+]CCC[C@@H]([NH3+])C(=O)NCC[C@@H]1CCOC12C[NH2+]C2 ZINC001219800386 780261638 /nfs/dbraw/zinc/26/16/38/780261638.db2.gz IYAZXSLOKQSWOT-GHMZBOCLSA-N 3 0 270.377 -1.063 20 0 CAADRP O=C(NC[C@]12C[NH2+]C[C@H]1COC2)[C@@]12C[NH2+]C[C@@H]1CCN2 ZINC001219812903 780262419 /nfs/dbraw/zinc/26/24/19/780262419.db2.gz KOVIMGHWZFNURD-AUZPSNTRSA-N 2 0 280.372 -1.710 20 0 CAADRP N[C@H]1C[NH2+]C[C@@H]1C(=O)NCC[C@H]1CCOC12C[NH2+]C2 ZINC001219801320 780262481 /nfs/dbraw/zinc/26/24/81/780262481.db2.gz XRKOTASSHOSLKY-DCAQKATOSA-N 2 0 268.361 -1.582 20 0 CAADRP O=C(NCc1noc2c1C[NH2+]CC2)[C@H]1C[NH2+]C[C@@H]1O ZINC001219810799 780262520 /nfs/dbraw/zinc/26/25/20/780262520.db2.gz DEMUXAFZXWWNAE-WPRPVWTQSA-N 2 0 266.301 -1.483 20 0 CAADRP N[C@]1(C(=O)NCc2noc3c2C[NH2+]CC3)CC[NH2+]C1 ZINC001219811341 780262638 /nfs/dbraw/zinc/26/26/38/780262638.db2.gz PLXDHWAREINNQB-GFCCVEGCSA-N 2 0 265.317 -1.373 20 0 CAADRP O=C(CN1CC[NH2+]CC1)NCc1noc2c1C[NH2+]CC2 ZINC001219810698 780262651 /nfs/dbraw/zinc/26/26/51/780262651.db2.gz AWGZTQWINGVFPS-UHFFFAOYSA-N 2 0 279.344 -1.158 20 0 CAADRP O=C(NCc1noc2c1C[NH2+]CC2)[C@@]12C[NH2+]C[C@@H]1CCN2 ZINC001219809993 780262766 /nfs/dbraw/zinc/26/27/66/780262766.db2.gz YNYSGKXWMPPBNB-LKFCYVNXSA-N 2 0 291.355 -1.112 20 0 CAADRP [NH3+]CCCC[C@H]([NH3+])C(=O)NC[C@]12C[NH2+]C[C@H]1COC2 ZINC001219812458 780262907 /nfs/dbraw/zinc/26/29/07/780262907.db2.gz BQIXRTXVTQTWHO-GVXVVHGQSA-N 3 0 270.377 -1.205 20 0 CAADRP CC(=O)OC[C@H]([NH3+])C(=O)NCc1noc2c1C[NH2+]CC2 ZINC001219809467 780262936 /nfs/dbraw/zinc/26/29/36/780262936.db2.gz LFFZSJACQDHSJH-VIFPVBQESA-N 2 0 282.300 -1.173 20 0 CAADRP O=C(NCC[C@@H]1CCOC12C[NH2+]C2)[C@]12C[NH2+]C[C@H]1CCN2 ZINC001219801245 780263133 /nfs/dbraw/zinc/26/31/33/780263133.db2.gz WMCCUVAKLOVEHO-JMSVASOKSA-N 2 0 294.399 -1.177 20 0 CAADRP [NH3+]CCC[NH2+]CC(=O)NCc1noc2c1C[NH2+]CC2 ZINC001219811192 780263244 /nfs/dbraw/zinc/26/32/44/780263244.db2.gz MTEYQPQRNYKGHS-UHFFFAOYSA-N 3 0 267.333 -1.125 20 0 CAADRP O=C(NCc1noc2c1C[NH2+]CC2)[C@H]1[NH2+]CC[C@@H]1O ZINC001219810684 780263330 /nfs/dbraw/zinc/26/33/30/780263330.db2.gz AIGGUURWTUFVBW-ONGXEEELSA-N 2 0 266.301 -1.341 20 0 CAADRP O=C(NCc1noc2c1C[NH2+]CC2)[C@@H]1C[NH2+]C[C@@H]1O ZINC001219810797 780263396 /nfs/dbraw/zinc/26/33/96/780263396.db2.gz DEMUXAFZXWWNAE-SCZZXKLOSA-N 2 0 266.301 -1.483 20 0 CAADRP O=C(NCc1noc2c1C[NH2+]CC2)[C@H]1C[NH2+]C[C@H]1O ZINC001219810798 780263444 /nfs/dbraw/zinc/26/34/44/780263444.db2.gz DEMUXAFZXWWNAE-WCBMZHEXSA-N 2 0 266.301 -1.483 20 0 CAADRP O=C(C[C@@H]1COCC[NH2+]1)NC[C@]12C[NH2+]C[C@H]1COC2 ZINC001219814468 780263993 /nfs/dbraw/zinc/26/39/93/780263993.db2.gz FIUFUTCQAZAYSE-LOWVWBTDSA-N 2 0 269.345 -1.283 20 0 CAADRP O=C(NC[C@H]1C[C@@H]2C[NH2+]C[C@@H]2O1)[C@H]1C[NH2+]C[C@@H]1O ZINC001219831177 780264084 /nfs/dbraw/zinc/26/40/84/780264084.db2.gz AHAPADJEPUOBFA-UVOCVTCTSA-N 2 0 255.318 -1.940 20 0 CAADRP C[S@](=O)CC[C@H]([NH3+])C(=O)NC[C@H]1C[C@@H]2C[NH2+]C[C@@H]2O1 ZINC001219831183 780264096 /nfs/dbraw/zinc/26/40/96/780264096.db2.gz ALUREOBHPVILDB-HDGKAPIRSA-N 2 0 289.401 -1.425 20 0 CAADRP [NH3+][C@H]1CN[C@H](C(=O)NC[C@]23C[NH2+]C[C@H]2COC3)C1 ZINC001219813443 780264132 /nfs/dbraw/zinc/26/41/32/780264132.db2.gz UJXUZWHGERFOOJ-WYFGTUCQSA-N 2 0 254.334 -1.972 20 0 CAADRP O=C(NC[C@]12C[NH2+]C[C@H]1COC2)[C@H]1C[NH2+]C[C@@H]1O ZINC001219813657 780264145 /nfs/dbraw/zinc/26/41/45/780264145.db2.gz YMXBZXIFYNDFEE-GMOBBJLQSA-N 2 0 255.318 -2.081 20 0 CAADRP O=C(NC[C@H]1C[C@@H]2C[NH2+]C[C@@H]2O1)[C@@H]1C[NH2+]C[C@@H]1O ZINC001219831174 780264149 /nfs/dbraw/zinc/26/41/49/780264149.db2.gz AHAPADJEPUOBFA-APLZJWDSSA-N 2 0 255.318 -1.940 20 0 CAADRP C[C@@H](C(N)=O)N1C[C@@H](NC(=O)C[N@H+](C)C2CCC2)[C@@H](O)C1 ZINC001219814006 780264302 /nfs/dbraw/zinc/26/43/02/780264302.db2.gz OBYLIJAMGCCVOI-WCQGTBRESA-N 2 0 298.387 -1.494 20 0 CAADRP O=C(NC[C@H]1C[C@@H]2C[NH2+]C[C@@H]2O1)[C@]12C[NH2+]C[C@H]1CCN2 ZINC001219831499 780264494 /nfs/dbraw/zinc/26/44/94/780264494.db2.gz NDJXMINTBQLBOV-SSKLVLDBSA-N 2 0 280.372 -1.569 20 0 CAADRP O=C(C[C@H]1COCC[NH2+]1)NC[C@]12C[NH2+]C[C@H]1COC2 ZINC001219814467 780264331 /nfs/dbraw/zinc/26/43/31/780264331.db2.gz FIUFUTCQAZAYSE-GVXVVHGQSA-N 2 0 269.345 -1.283 20 0 CAADRP [NH3+]CCSC[C@H]([NH3+])C(=O)NC[C@]12C[NH2+]C[C@H]1COC2 ZINC001219815428 780264378 /nfs/dbraw/zinc/26/43/78/780264378.db2.gz ZCNHHWKZCKOVMD-NHCYSSNCSA-N 3 0 288.417 -1.642 20 0 CAADRP O=C(NC[C@]12C[NH2+]C[C@H]1COC2)[C@@H]1C[NH2+]CCN1 ZINC001219814915 780264480 /nfs/dbraw/zinc/26/44/80/780264480.db2.gz OMHLBNUFBKFJOS-NHCYSSNCSA-N 2 0 254.334 -2.100 20 0 CAADRP O=C(NC[C@H]1C[C@@H]2C[NH2+]C[C@@H]2O1)[C@@H]1C[NH2+]CCN1 ZINC001219831588 780264520 /nfs/dbraw/zinc/26/45/20/780264520.db2.gz PTQYLZYTNJQTKO-ZNSHCXBVSA-N 2 0 254.334 -1.959 20 0 CAADRP O=C(NC[C@H]1C[C@@H]2C[NH2+]C[C@@H]2O1)[C@@H]1COC2(C[NH2+]C2)CN1 ZINC001219831526 780264550 /nfs/dbraw/zinc/26/45/50/780264550.db2.gz NPISWMIXPGDKKI-WYUUTHIRSA-N 2 0 296.371 -2.190 20 0 CAADRP O=C(NC[C@H]1C[C@@H]2C[NH2+]C[C@@H]2O1)[C@H]1C[C@@H](O)C[NH2+]1 ZINC001219831821 780264705 /nfs/dbraw/zinc/26/47/05/780264705.db2.gz ZGNHRDBYNLMVML-ILAIQSSSSA-N 2 0 255.318 -1.798 20 0 CAADRP C[S@](=O)CC[C@H]([NH3+])C(=O)NC[C@]12C[NH2+]C[C@H]1COC2 ZINC001219813454 780264817 /nfs/dbraw/zinc/26/48/17/780264817.db2.gz UYTZVOZPOXUWPP-QNFOMXJPSA-N 2 0 289.401 -1.566 20 0 CAADRP NC(=[NH2+])NCCCCC(=O)NC[C@]12C[NH2+]C[C@H]1COC2 ZINC001219814649 780264845 /nfs/dbraw/zinc/26/48/45/780264845.db2.gz JGIPXWRDFYIAAB-GWCFXTLKSA-N 2 0 283.376 -1.008 20 0 CAADRP [NH3+][C@@H]1CN[C@H](C(=O)NC[C@H]2C[C@@H]3C[NH2+]C[C@@H]3O2)C1 ZINC001219831817 780264855 /nfs/dbraw/zinc/26/48/55/780264855.db2.gz ZAMMWTUGKGQTNN-XXFSISAASA-N 2 0 254.334 -1.831 20 0 CAADRP [NH3+][C@H](C(=O)NC[C@]12C[NH2+]C[C@H]1COC2)C1CC[NH2+]CC1 ZINC001219813395 780264988 /nfs/dbraw/zinc/26/49/88/780264988.db2.gz SAMHDFXIZFKIMF-OBJOEFQTSA-N 3 0 282.388 -1.335 20 0 CAADRP N[C@@]1(C(=O)NC[C@H]2C[C@@H]3C[NH2+]C[C@@H]3O2)CC[NH2+]C1 ZINC001219831513 780265022 /nfs/dbraw/zinc/26/50/22/780265022.db2.gz NJRQEEXNZYZYKQ-SVDPJWKOSA-N 2 0 254.334 -1.830 20 0 CAADRP O=C(NC[C@]12C[NH2+]C[C@H]1COC2)[C@H]1[NH2+]CC[C@H]1O ZINC001219814439 780265052 /nfs/dbraw/zinc/26/50/52/780265052.db2.gz DZDARXVUUIFQBA-WYFGTUCQSA-N 2 0 255.318 -1.939 20 0 CAADRP O=C(NC[C@H]1C[C@@H]2C[NH2+]C[C@@H]2O1)[C@]12C[NH2+]C[C@@H]1CCN2 ZINC001219831497 780265124 /nfs/dbraw/zinc/26/51/24/780265124.db2.gz NDJXMINTBQLBOV-MOWSAHLDSA-N 2 0 280.372 -1.569 20 0 CAADRP C[C@H](C(N)=O)N1C[C@@H](NC(=O)C[N@H+](C)C2CCC2)[C@@H](O)C1 ZINC001219814005 780265181 /nfs/dbraw/zinc/26/51/81/780265181.db2.gz OBYLIJAMGCCVOI-JLLWLGSASA-N 2 0 298.387 -1.494 20 0 CAADRP [NH3+]C[C@H](O)CC(=O)NC[C@H]1CO[C@@]2(C1)C[NH2+]CCOC2 ZINC001219835107 780265482 /nfs/dbraw/zinc/26/54/82/780265482.db2.gz WTBCPROEGZBAQX-LOWVWBTDSA-N 2 0 287.360 -1.793 20 0 CAADRP N[C@]1(C(=O)NC[C@H]2CO[C@@]3(C2)C[NH2+]CCOC3)CC[NH2+]C1 ZINC001219836959 780265496 /nfs/dbraw/zinc/26/54/96/780265496.db2.gz GNHFYDWLUFWQQU-FPMFFAJLSA-N 2 0 298.387 -1.812 20 0 CAADRP O=C(NC[C@H]1CO[C@@]2(C1)C[NH2+]CCOC2)[C@@H]1C[NH2+]CCN1 ZINC001219837779 780265721 /nfs/dbraw/zinc/26/57/21/780265721.db2.gz LUXJDUQHLWKATL-OBJOEFQTSA-N 2 0 298.387 -1.941 20 0 CAADRP N[C@]1(C(=O)NC[C@@H]2CO[C@]3(C2)C[NH2+]CCOC3)CC[NH2+]C1 ZINC001219836964 780266049 /nfs/dbraw/zinc/26/60/49/780266049.db2.gz GNHFYDWLUFWQQU-MRVWCRGKSA-N 2 0 298.387 -1.812 20 0 CAADRP [NH3+]CCNCC(=O)NC[C@H]1CO[C@@]2(C1)C[NH2+]CCOC2 ZINC001219837769 780266099 /nfs/dbraw/zinc/26/60/99/780266099.db2.gz LSRAGFWSTLSDFJ-AAEUAGOBSA-N 2 0 286.376 -1.954 20 0 CAADRP [NH3+]CCNCC(=O)NC[C@H]1CO[C@]2(C1)C[NH2+]CCOC2 ZINC001219837772 780266302 /nfs/dbraw/zinc/26/63/02/780266302.db2.gz LSRAGFWSTLSDFJ-WCQYABFASA-N 2 0 286.376 -1.954 20 0 CAADRP O=C(NC[C@@H]1CO[C@@]2(C1)C[NH2+]CCOC2)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC001219838596 780266428 /nfs/dbraw/zinc/26/64/28/780266428.db2.gz SDUIMVAAMZEMOO-BIGJJFBESA-N 2 0 295.383 -1.037 20 0 CAADRP O=C(NC[C@H]1CO[C@]2(C1)C[NH2+]CCOC2)[C@H]1C[NH2+]CCN1 ZINC001219837780 780266438 /nfs/dbraw/zinc/26/64/38/780266438.db2.gz LUXJDUQHLWKATL-OUCADQQQSA-N 2 0 298.387 -1.941 20 0 CAADRP C[C@@H]([NH3+])C(=O)NC[C@@H]1CO[C@@]2(C1)C[NH2+]CCOC2 ZINC001219834341 780266444 /nfs/dbraw/zinc/26/64/44/780266444.db2.gz PYTXZJISYZHGMI-FOGDFJRCSA-N 2 0 257.334 -1.155 20 0 CAADRP C[C@@H]([NH3+])C(=O)NC[C@@H]1CO[C@]2(C1)C[NH2+]CCOC2 ZINC001219834340 780266500 /nfs/dbraw/zinc/26/65/00/780266500.db2.gz PYTXZJISYZHGMI-CKYFFXLPSA-N 2 0 257.334 -1.155 20 0 CAADRP [NH3+]C[C@H](O)CC(=O)NC[C@H]1CO[C@]2(C1)C[NH2+]CCOC2 ZINC001219835106 780266509 /nfs/dbraw/zinc/26/65/09/780266509.db2.gz WTBCPROEGZBAQX-DMDPSCGWSA-N 2 0 287.360 -1.793 20 0 CAADRP O=C(NC[C@H]1CO[C@]2(C1)C[NH2+]CCOC2)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC001219838598 780266514 /nfs/dbraw/zinc/26/65/14/780266514.db2.gz SDUIMVAAMZEMOO-RLPMIEJPSA-N 2 0 295.383 -1.037 20 0 CAADRP O=C(NC[C@@H]1CO[C@]2(C1)C[NH2+]CCOC2)[C@H]1C[NH2+]CCN1 ZINC001219837788 780266545 /nfs/dbraw/zinc/26/65/45/780266545.db2.gz LUXJDUQHLWKATL-YRGRVCCFSA-N 2 0 298.387 -1.941 20 0 CAADRP O=C(NC[C@@H]1CO[C@]2(C1)C[NH2+]CCOC2)[C@@H]1C[C@H](O)C[NH2+]1 ZINC001219837972 780266549 /nfs/dbraw/zinc/26/65/49/780266549.db2.gz NGZGWFRIBIGBOI-OWTLIXCDSA-N 2 0 299.371 -1.780 20 0 CAADRP O=C(NC[C@H]1CO[C@]2(C1)C[NH2+]CCOC2)[C@H]1[NH2+]CC[C@@H]1O ZINC001219837713 780266565 /nfs/dbraw/zinc/26/65/65/780266565.db2.gz LHUSOMHRNATLKF-ZJQBRPOHSA-N 2 0 299.371 -1.780 20 0 CAADRP [NH3+][C@@H]1CN[C@H](C(=O)NC[C@@H]2CO[C@]3(C2)C[NH2+]CCOC3)C1 ZINC001219837061 780266577 /nfs/dbraw/zinc/26/65/77/780266577.db2.gz HCBVEGOOOYRZSM-OWTLIXCDSA-N 2 0 298.387 -1.813 20 0 CAADRP N[C@@H](CC[NH3+])C(=O)NC[C@H]1CO[C@@]2(C1)C[NH2+]CCOC2 ZINC001219838589 780266598 /nfs/dbraw/zinc/26/65/98/780266598.db2.gz SCCJRYKSSRCVNQ-GVXVVHGQSA-N 2 0 286.376 -1.826 20 0 CAADRP [NH3+]C1(C(=O)NC[C@H]2CO[C@]3(C2)C[NH2+]CCOC3)CC1 ZINC001219835110 780266685 /nfs/dbraw/zinc/26/66/85/780266685.db2.gz WTGOQJQQKPOCDG-CMPLNLGQSA-N 2 0 269.345 -1.011 20 0 CAADRP O=C(CNC1CC[NH2+]CC1)N[C@H]1CC[C@@H]2[NH2+]CCO[C@@H]12 ZINC001219847246 780267304 /nfs/dbraw/zinc/26/73/04/780267304.db2.gz AXQMJHMHVYSYBP-SGMGOOAPSA-N 2 0 282.388 -1.036 20 0 CAADRP O=C(NC[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21)[C@@]12C[NH2+]C[C@@H]1CCN2 ZINC001219850197 780267420 /nfs/dbraw/zinc/26/74/20/780267420.db2.gz NNAGNIMWSHVVJJ-XOBFJNJYSA-N 2 0 294.399 -1.321 20 0 CAADRP CC(=O)OC[C@H]([NH3+])C(=O)NC[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21 ZINC001219849554 780267503 /nfs/dbraw/zinc/26/75/03/780267503.db2.gz DESBRUVEBMOMQO-FIQHERPVSA-N 2 0 285.344 -1.383 20 0 CAADRP O=C(NC[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21)[C@]12C[NH2+]C[C@H]1CCN2 ZINC001219850192 780267686 /nfs/dbraw/zinc/26/76/86/780267686.db2.gz NNAGNIMWSHVVJJ-ARUSPNSKSA-N 2 0 294.399 -1.321 20 0 CAADRP N[C@@]1(C(=O)N[C@H]2CC[C@@H]3[NH2+]CCO[C@@H]23)CCC[NH2+]C1 ZINC001219847520 780267742 /nfs/dbraw/zinc/26/77/42/780267742.db2.gz JULJNJZGUVVQQU-KQXIARHKSA-N 2 0 268.361 -1.297 20 0 CAADRP [NH3+]CCC[C@H]([NH3+])C(=O)NC[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21 ZINC001219850170 780267913 /nfs/dbraw/zinc/26/79/13/780267913.db2.gz MUFYENXNOZSZSV-FIQHERPVSA-N 3 0 270.377 -1.207 20 0 CAADRP O=C(N[C@H]1CC[C@@H]2[NH2+]CCO[C@@H]12)[C@H]1[NH2+]CC[C@H]1O ZINC001219850486 780268027 /nfs/dbraw/zinc/26/80/27/780268027.db2.gz VWHFBZQCJULVEF-QUARPLMYSA-N 2 0 255.318 -1.655 20 0 CAADRP O=C(NC[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001219849421 780268251 /nfs/dbraw/zinc/26/82/51/780268251.db2.gz AJNBUGKJNSBAGK-ZDEQEGDKSA-N 3 0 294.399 -1.464 20 0 CAADRP O=C(N[C@H]1CC[C@@H]2[NH2+]CCO[C@@H]12)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1 ZINC001219847585 780268277 /nfs/dbraw/zinc/26/82/77/780268277.db2.gz LEXVOIXVZOPKCD-MCDVFOBDSA-N 2 0 280.372 -1.428 20 0 CAADRP O=C(N[C@H]1CC[C@@H]2[NH2+]CCO[C@@H]12)[C@@]12C[NH2+]C[C@@H]1CCN2 ZINC001219847625 780268361 /nfs/dbraw/zinc/26/83/61/780268361.db2.gz MZTBNSCJAOWUSI-ZXPJVPCYSA-N 2 0 280.372 -1.427 20 0 CAADRP O=C(N[C@H]1CC[C@@H]2[NH2+]CCO[C@@H]12)[C@@H]1C[NH2+]C[C@@H]1O ZINC001219847806 780268418 /nfs/dbraw/zinc/26/84/18/780268418.db2.gz SPSFBYOFGFIFLW-ORMBPQIASA-N 2 0 255.318 -1.798 20 0 CAADRP C[S@@](=O)CC[C@H]([NH3+])C(=O)N[C@H]1CC[C@@H]2[NH2+]CCO[C@@H]12 ZINC001219848036 780268524 /nfs/dbraw/zinc/26/85/24/780268524.db2.gz VOFOAEHBMULGAX-XPAIWELVSA-N 2 0 289.401 -1.282 20 0 CAADRP NC(=O)NCCC[C@@H]([NH3+])C(=O)N[C@H]1CC[C@@H]2[NH2+]CCO[C@@H]12 ZINC001219847433 780268557 /nfs/dbraw/zinc/26/85/57/780268557.db2.gz GXVDFSHJNFQGOA-VPOLOUISSA-N 2 0 299.375 -1.602 20 0 CAADRP O=C(N[C@H]1CC[C@@H]2[NH2+]CCO[C@@H]12)[C@H]1C[NH2+]CCN1 ZINC001219847220 780268597 /nfs/dbraw/zinc/26/85/97/780268597.db2.gz AKLGGZUFWYZLAW-UKKRHICBSA-N 2 0 254.334 -1.817 20 0 CAADRP O=C(N[C@H]1CO[C@@H]2C[NH2+]C[C@H]12)[C@]12C[NH2+]C[C@@H]1CCN2 ZINC001219854490 780268982 /nfs/dbraw/zinc/26/89/82/780268982.db2.gz KCDDTSWZPPGDFU-UGCHFJIKSA-N 2 0 266.345 -1.959 20 0 CAADRP [NH3+][C@@H](C(=O)N[C@H]1CO[C@@H]2C[NH2+]C[C@H]12)C1CC[NH2+]CC1 ZINC001219856422 780269012 /nfs/dbraw/zinc/26/90/12/780269012.db2.gz LWWMDHGBPDFOMR-WRWGMCAJSA-N 3 0 268.361 -1.584 20 0 CAADRP O=C(NC[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21)[C@@H]1C[NH2+]C[C@@H]1O ZINC001219852029 780269027 /nfs/dbraw/zinc/26/90/27/780269027.db2.gz KFIPDWRQQVCBKA-HHHUOAJASA-N 2 0 269.345 -1.693 20 0 CAADRP O=C(N[C@H]1CO[C@@H]2C[NH2+]C[C@H]12)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001219854504 780269207 /nfs/dbraw/zinc/26/92/07/780269207.db2.gz KQJDFRVTLAXHJM-FVCCEPFGSA-N 3 0 294.399 -1.036 20 0 CAADRP C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N[C@H]1CO[C@@H]2C[NH2+]C[C@H]12 ZINC001219856213 780269255 /nfs/dbraw/zinc/26/92/55/780269255.db2.gz CCKNIUYVWFMZJD-CVPUBMOQSA-N 2 0 286.332 -3.086 20 0 CAADRP CC(C)C[C@H](NC(=O)C[NH3+])C(=O)N[C@H]1CO[C@@H]2C[NH2+]C[C@H]12 ZINC001219856230 780269457 /nfs/dbraw/zinc/26/94/57/780269457.db2.gz CPYWIPNRUUJRLY-NOOOWODRSA-N 2 0 298.387 -1.421 20 0 CAADRP NC(=O)NCCC[C@@H]([NH3+])C(=O)N[C@H]1CO[C@@H]2C[NH2+]C[C@H]12 ZINC001219854700 780269480 /nfs/dbraw/zinc/26/94/80/780269480.db2.gz QMXMHHNOGAAGNZ-DOLQZWNJSA-N 2 0 285.348 -2.135 20 0 CAADRP Cn1cncc1C[C@H]([NH3+])C(=O)N[C@H]1CO[C@@H]2C[NH2+]C[C@H]12 ZINC001219854822 780269625 /nfs/dbraw/zinc/26/96/25/780269625.db2.gz XDQIUYWVIZSKCL-NOOOWODRSA-N 2 0 279.344 -1.607 20 0 CAADRP C[S@](=O)CC[C@H]([NH3+])C(=O)N[C@H]1CO[C@@H]2C[NH2+]C[C@H]12 ZINC001219856228 780269818 /nfs/dbraw/zinc/26/98/18/780269818.db2.gz CPPOFCIGANLXPV-PGVQDMQGSA-N 2 0 275.374 -1.815 20 0 CAADRP O=C(NC[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21)[C@H]1[NH2+]CC[C@@H]1O ZINC001219852298 780270094 /nfs/dbraw/zinc/27/00/94/780270094.db2.gz QDMDSLGZOWHMFL-NGDQXYMTSA-N 2 0 269.345 -1.550 20 0 CAADRP [NH3+]CCCC[C@H]([NH3+])CC(=O)N[C@H]1CO[C@@H]2C[NH2+]C[C@H]12 ZINC001219856315 780270119 /nfs/dbraw/zinc/27/01/19/780270119.db2.gz HNLMVZYWCRXRCQ-WHOHXGKFSA-N 3 0 270.377 -1.064 20 0 CAADRP O=C(N[C@H]1CO[C@@H]2C[NH2+]C[C@H]12)[C@@]12C[NH2+]C[C@@H]1CCN2 ZINC001219854491 780270127 /nfs/dbraw/zinc/27/01/27/780270127.db2.gz KCDDTSWZPPGDFU-VLLVSFFDSA-N 2 0 266.345 -1.959 20 0 CAADRP CC(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@H]1CO[C@@H]2C[NH2+]C[C@H]12 ZINC001219856399 780270140 /nfs/dbraw/zinc/27/01/40/780270140.db2.gz LHIRAXFKSFJZOD-MROQNXINSA-N 2 0 298.387 -1.277 20 0 CAADRP [NH3+][C@H]1CCCCN(CC(=O)N[C@H]2CO[C@@H]3C[NH2+]C[C@H]23)C1=O ZINC001219856197 780270161 /nfs/dbraw/zinc/27/01/61/780270161.db2.gz BSZMUHOPJJXYJC-NOOOWODRSA-N 2 0 296.371 -1.571 20 0 CAADRP [NH3+][C@H](Cc1cnc[nH]1)C(=O)N[C@H]1CO[C@@H]2C[NH2+]C[C@H]12 ZINC001219854739 780270184 /nfs/dbraw/zinc/27/01/84/780270184.db2.gz SBINAHOXRLNQHN-CHWFTXMASA-N 2 0 265.317 -1.618 20 0 CAADRP N[C@@H](CC[NH3+])C(=O)NC[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21 ZINC001219852067 780270232 /nfs/dbraw/zinc/27/02/32/780270232.db2.gz KWWHNSQBYPEGJT-XWLWVQCSSA-N 2 0 256.350 -1.597 20 0 CAADRP O=C(NC[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21)[C@@H]1C[NH2+]C[C@H]1O ZINC001219852036 780270237 /nfs/dbraw/zinc/27/02/37/780270237.db2.gz KFIPDWRQQVCBKA-PREPNJAASA-N 2 0 269.345 -1.693 20 0 CAADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)NCC[NH3+] ZINC001219870563 780270583 /nfs/dbraw/zinc/27/05/83/780270583.db2.gz KCHXKRPQKFJRMQ-QWRGUYRKSA-N 3 0 285.392 -1.491 20 0 CAADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)NC[C@@H](O)CO ZINC001219865397 780270906 /nfs/dbraw/zinc/27/09/06/780270906.db2.gz NFVFMYVPUPOTKM-NXEZZACHSA-N 2 0 260.338 -2.794 20 0 CAADRP [NH3+]CCNC(=O)[C@@H]1Cn2nnnc2C12CC[NH2+]CC2 ZINC001219865266 780271019 /nfs/dbraw/zinc/27/10/19/780271019.db2.gz JFDZGXQMBBUKEK-QMMMGPOBSA-N 2 0 265.321 -2.001 20 0 CAADRP COC(=O)[C@@H](NC(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2)[C@@H](C)O ZINC001219879370 780271103 /nfs/dbraw/zinc/27/11/03/780271103.db2.gz FFWYPDSNFGRCRG-VGMNWLOBSA-N 2 0 271.317 -2.166 20 0 CAADRP C[N@@H+]1C[C@H](C(=O)NCC[NH3+])OC2(CC[NH2+]CC2)C1 ZINC001219867684 780271382 /nfs/dbraw/zinc/27/13/82/780271382.db2.gz NTPFFJPRJQOCGU-SNVBAGLBSA-N 3 0 256.350 -1.486 20 0 CAADRP CC(C)(C)OC[C@H]([NH3+])C(=O)NCC(=O)NCC[NH3+] ZINC001219872483 780272024 /nfs/dbraw/zinc/27/20/24/780272024.db2.gz HQGLPFFLWXUKKD-QMMMGPOBSA-N 2 0 260.338 -1.680 20 0 CAADRP COC(=O)[C@@H](NC(=O)[C@H]([NH3+])C1CC[NH2+]CC1)[C@@H](C)O ZINC001219880748 780272328 /nfs/dbraw/zinc/27/23/28/780272328.db2.gz HZPPQPNDPYWATO-QNSHHTMESA-N 2 0 273.333 -1.648 20 0 CAADRP COC(=O)[C@@H](NC(=O)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1)[C@@H](C)O ZINC001219880096 780272900 /nfs/dbraw/zinc/27/29/00/780272900.db2.gz UCSHUKPSKDEYIW-MXWKQRLJSA-N 2 0 299.371 -1.101 20 0 CAADRP COC(=O)[C@@H](NC(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2)[C@@H](C)O ZINC001219880212 780273053 /nfs/dbraw/zinc/27/30/53/780273053.db2.gz YMBAOJWSEDPMEV-ORXSELOVSA-N 2 0 285.344 -1.776 20 0 CAADRP C[C@H](C[NH+](C)C)NC(=O)[C@H]1COC2(C[NH2+]C2)CN1 ZINC001219915784 780273566 /nfs/dbraw/zinc/27/35/66/780273566.db2.gz AZBMDROTPZRSPG-NXEZZACHSA-N 2 0 256.350 -1.617 20 0 CAADRP CC(=O)N1C[C@@H]2C[C@]2(NC(=O)[C@H]([NH3+])CCC[NH3+])C1 ZINC001219889982 780274468 /nfs/dbraw/zinc/27/44/68/780274468.db2.gz DBRGRMDEUSOXIP-UMNHJUIQSA-N 2 0 254.334 -1.210 20 0 CAADRP CC(=O)N1C[C@@H]2C[C@]2(NC(=O)[C@@H]([NH3+])CSCC[NH3+])C1 ZINC001219890932 780274528 /nfs/dbraw/zinc/27/45/28/780274528.db2.gz MJHZZFQPVODAOV-NHCYSSNCSA-N 2 0 286.401 -1.257 20 0 CAADRP C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)NCCCCC[NH+](C)C ZINC001219920201 780276464 /nfs/dbraw/zinc/27/64/64/780276464.db2.gz BAPQHEUJYAPLBE-QWRGUYRKSA-N 2 0 288.392 -1.341 20 0 CAADRP CC(C)C[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)NCC[NH2+]CCO ZINC001219918090 780276553 /nfs/dbraw/zinc/27/65/53/780276553.db2.gz DRJVYAFJGXIJFF-QWRGUYRKSA-N 2 0 288.392 -1.437 20 0 CAADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)NCC[NH2+]CCO ZINC001219918218 780276574 /nfs/dbraw/zinc/27/65/74/780276574.db2.gz HVUDJZWCRONGQK-NSHDSACASA-N 3 0 273.381 -2.565 20 0 CAADRP C[C@@H](C[NH+](C)C)NC(=O)CN(CC[NH3+])S(C)(=O)=O ZINC001219916208 780276931 /nfs/dbraw/zinc/27/69/31/780276931.db2.gz NVDMOPXVUWPNAB-VIFPVBQESA-N 2 0 280.394 -1.727 20 0 CAADRP C[S@@](=O)CC[C@H]([NH3+])C(=O)NCC[NH2+]CCO ZINC001219919045 780277071 /nfs/dbraw/zinc/27/70/71/780277071.db2.gz WEJOBJIOVFIITE-ZKANADHPSA-N 2 0 251.352 -2.220 20 0 CAADRP O=C(NCC[NH2+]CCO)[C@H]1CCCN([C@H]2CC[NH2+]C2)C1 ZINC001219918802 780277170 /nfs/dbraw/zinc/27/71/70/780277170.db2.gz QYXIEXHIAIFMJB-STQMWFEESA-N 2 0 284.404 -1.242 20 0 CAADRP O=C(NCC[NH2+]CCO)[C@@H]1CCCN([C@@H]2CC[NH2+]C2)C1 ZINC001219918796 780277259 /nfs/dbraw/zinc/27/72/59/780277259.db2.gz QYXIEXHIAIFMJB-CHWSQXEVSA-N 2 0 284.404 -1.242 20 0 CAADRP O=C(NCC[NH2+]CCO)[C@H]1CCCN([C@@H]2CC[NH2+]C2)C1 ZINC001219918800 780277631 /nfs/dbraw/zinc/27/76/31/780277631.db2.gz QYXIEXHIAIFMJB-QWHCGFSZSA-N 2 0 284.404 -1.242 20 0 CAADRP C[C@H](C[NH+](C)C)NC(=O)CN(CC[NH3+])S(C)(=O)=O ZINC001219916207 780277739 /nfs/dbraw/zinc/27/77/39/780277739.db2.gz NVDMOPXVUWPNAB-SECBINFHSA-N 2 0 280.394 -1.727 20 0 CAADRP O=C(N[C@H]1C=CS(=O)(=O)C1)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001219945148 780278423 /nfs/dbraw/zinc/27/84/23/780278423.db2.gz BPIVRUWQDLJSAJ-IUCAKERBSA-N 2 0 271.342 -1.778 20 0 CAADRP Cc1nonc1CNC(=O)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001219948180 780278629 /nfs/dbraw/zinc/27/86/29/780278629.db2.gz OBDMBUCCSHPBFK-MRVPVSSYSA-N 2 0 251.290 -1.197 20 0 CAADRP [NH3+][C@H](C(=O)N[C@@H]1C=CS(=O)(=O)C1)C1CC[NH2+]CC1 ZINC001219945616 780279095 /nfs/dbraw/zinc/27/90/95/780279095.db2.gz NZVISXSUHDPWFE-ZJUUUORDSA-N 2 0 273.358 -1.260 20 0 CAADRP O=C(NC[C@H]1CCC(=O)N1)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001219959493 780280429 /nfs/dbraw/zinc/28/04/29/780280429.db2.gz XCRATLWPPQTRAC-BDAKNGLRSA-N 2 0 252.318 -1.810 20 0 CAADRP [NH3+]CCSC[C@H]([NH3+])C(=O)NC[C@@H]1CCC(=O)N1 ZINC001219959174 780280719 /nfs/dbraw/zinc/28/07/19/780280719.db2.gz LGKDQOJWOVUBPG-YUMQZZPRSA-N 2 0 260.363 -1.600 20 0 CAADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)NC[C@@H]1CCC(=O)N1 ZINC001219959416 780280978 /nfs/dbraw/zinc/28/09/78/780280978.db2.gz UFYHIIZOXUILFL-WDEREUQCSA-N 2 0 283.376 -1.868 20 0 CAADRP O=C(NC[C@@H]1CCC(=O)N1)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001219959495 780281105 /nfs/dbraw/zinc/28/11/05/780281105.db2.gz XCRATLWPPQTRAC-IUCAKERBSA-N 2 0 252.318 -1.810 20 0 CAADRP CNS(=O)(=O)CCNC(=O)[C@@H]([NH3+])C1CC[NH2+]CC1 ZINC001219960927 780282326 /nfs/dbraw/zinc/28/23/26/780282326.db2.gz CDVQONSTJXNCHM-VIFPVBQESA-N 2 0 278.378 -2.021 20 0 CAADRP CNS(=O)(=O)CCNC(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001219961461 780282513 /nfs/dbraw/zinc/28/25/13/780282513.db2.gz MDFBDHSOQBFTTC-MWLCHTKSSA-N 2 0 290.389 -2.149 20 0 CAADRP [NH3+][C@@H](C(=O)NC[C@H]1CCC(=O)N1)C1CC[NH2+]CC1 ZINC001219959548 780283022 /nfs/dbraw/zinc/28/30/22/780283022.db2.gz YMQHRUWVMLLVHW-MWLCHTKSSA-N 2 0 254.334 -1.292 20 0 CAADRP CNS(=O)(=O)CCNC(=O)[C@H]([NH3+])CCC[NH3+] ZINC001219960979 780283490 /nfs/dbraw/zinc/28/34/90/780283490.db2.gz DOZSDRJGODFPLP-SSDOTTSWSA-N 2 0 252.340 -2.282 20 0 CAADRP [NH3+]CCSC[C@H]([NH3+])C(=O)NCCCc1c[nH][nH]c1=O ZINC001219969598 780284041 /nfs/dbraw/zinc/28/40/41/780284041.db2.gz GBSVNLHDGVMCFY-BDAKNGLRSA-N 2 0 287.389 -1.366 20 0 CAADRP O=C(NCCCc1c[nH][nH]c1=O)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001219968102 780284107 /nfs/dbraw/zinc/28/41/07/780284107.db2.gz WAXZVAUMTSVCFQ-UWVGGRQHSA-N 2 0 279.344 -1.576 20 0 CAADRP O=C(NCCCc1c[nH][nH]c1=O)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001219968103 780284260 /nfs/dbraw/zinc/28/42/60/780284260.db2.gz WAXZVAUMTSVCFQ-VHSXEESVSA-N 2 0 279.344 -1.576 20 0 CAADRP [NH3+]CCSC[C@H]([NH3+])C(=O)NCCCc1c[nH][nH]c1=O ZINC001219969599 780284465 /nfs/dbraw/zinc/28/44/65/780284465.db2.gz GBSVNLHDGVMCFY-IUCAKERBSA-N 2 0 287.389 -1.366 20 0 CAADRP [NH3+][C@@H](C(=O)NCCCc1c[nH][nH]c1=O)C1CC[NH2+]CC1 ZINC001219969493 780284740 /nfs/dbraw/zinc/28/47/40/780284740.db2.gz BTFNGQIENUOPDC-WDEREUQCSA-N 2 0 281.360 -1.059 20 0 CAADRP COC(=O)CNC(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001219975934 780285634 /nfs/dbraw/zinc/28/56/34/780285634.db2.gz ZEYRPXSLCFYPDG-SECBINFHSA-N 2 0 258.322 -1.974 20 0 CAADRP COC(=O)C1(NC(=O)[C@H]2C[NH2+]C[C@H]2O)CC[NH2+]CC1 ZINC001220001598 780287192 /nfs/dbraw/zinc/28/71/92/780287192.db2.gz SVRIUCSSRZOIRX-DTWKUNHWSA-N 2 0 271.317 -2.022 20 0 CAADRP COC(=O)C1(NC(=O)[C@@H]([NH3+])CCC[NH3+])CC[NH2+]CC1 ZINC001219999349 780287243 /nfs/dbraw/zinc/28/72/43/780287243.db2.gz QMBAUMNBCMHQSY-VIFPVBQESA-N 3 0 272.349 -1.536 20 0 CAADRP COC(=O)C1(NC(=O)[C@H]2[NH2+]CC[C@@H]2O)CC[NH2+]CC1 ZINC001220001006 780287282 /nfs/dbraw/zinc/28/72/82/780287282.db2.gz CFFCWDPLAJQJNG-IUCAKERBSA-N 2 0 271.317 -1.879 20 0 CAADRP COC(=O)C1(NC(=O)[C@@H]2C[C@H]([NH3+])CN2)CC[NH2+]CC1 ZINC001220001226 780287287 /nfs/dbraw/zinc/28/72/87/780287287.db2.gz MFYOWMMXISTPHS-IUCAKERBSA-N 2 0 270.333 -1.913 20 0 CAADRP COC(=O)C1(NC(=O)[C@@H]2C[NH2+]C[C@@H]2O)CC[NH2+]CC1 ZINC001220001597 780287367 /nfs/dbraw/zinc/28/73/67/780287367.db2.gz SVRIUCSSRZOIRX-BDAKNGLRSA-N 2 0 271.317 -2.022 20 0 CAADRP COC(=O)C1(NC(=O)[C@@]2(N)CCC[NH2+]C2)CC[NH2+]CC1 ZINC001220001238 780287387 /nfs/dbraw/zinc/28/73/87/780287387.db2.gz MPIFHXDZMASQHT-GFCCVEGCSA-N 2 0 284.360 -1.521 20 0 CAADRP COC(=O)C1(NC(=O)[C@@H]2C[C@H](O)C[NH2+]2)CC[NH2+]CC1 ZINC001220001548 780287655 /nfs/dbraw/zinc/28/76/55/780287655.db2.gz SBPDRIHQEDLEKU-IUCAKERBSA-N 2 0 271.317 -1.879 20 0 CAADRP COC(=O)C1(NC(=O)[C@@]23C[NH2+]C[C@@H]2CCN3)CC[NH2+]CC1 ZINC001219999213 780287810 /nfs/dbraw/zinc/28/78/10/780287810.db2.gz NKIHINRHVDKDRA-IINYFYTJSA-N 2 0 296.371 -1.651 20 0 CAADRP COC(=O)C1(NC(=O)CNC2CC[NH2+]CC2)CC[NH2+]CC1 ZINC001219998996 780287860 /nfs/dbraw/zinc/28/78/60/780287860.db2.gz HLOMMHIHKPPOQA-UHFFFAOYSA-N 2 0 298.387 -1.261 20 0 CAADRP COC(=O)C1(NC(=O)C[C@H]2COCC[NH2+]2)CC[NH2+]CC1 ZINC001220001233 780288145 /nfs/dbraw/zinc/28/81/45/780288145.db2.gz MNWKOMHTFWEEHK-JTQLQIEISA-N 2 0 285.344 -1.224 20 0 CAADRP COC(=O)C1(NC(=O)[C@H]([NH3+])CCC[NH3+])CC[NH2+]CC1 ZINC001219999348 780288288 /nfs/dbraw/zinc/28/82/88/780288288.db2.gz QMBAUMNBCMHQSY-SECBINFHSA-N 3 0 272.349 -1.536 20 0 CAADRP COC(=O)C1(NC(=O)[C@@]23CC[C@@H](N2)[C@H]([NH3+])C3)CC[NH2+]CC1 ZINC001220001363 780288304 /nfs/dbraw/zinc/28/83/04/780288304.db2.gz PYNFLRQEIMOYDC-RULNRJAQSA-N 2 0 296.371 -1.380 20 0 CAADRP COC(=O)C1(NC(=O)[C@]23C[NH2+]C[C@H]2CCN3)CC[NH2+]CC1 ZINC001219999215 780288380 /nfs/dbraw/zinc/28/83/80/780288380.db2.gz NKIHINRHVDKDRA-YGRLFVJLSA-N 2 0 296.371 -1.651 20 0 CAADRP CN1CC(NC(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)C1 ZINC001220013105 780290636 /nfs/dbraw/zinc/29/06/36/780290636.db2.gz JEWZKIZELXJADD-LLVKDONJSA-N 2 0 255.366 -1.833 20 0 CAADRP C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)n1cnc(C[NH3+])cc1=N ZINC001220020227 780290945 /nfs/dbraw/zinc/29/09/45/780290945.db2.gz BKYUOBSZBAKBHI-XPUUQOCRSA-N 2 0 282.304 -2.714 20 0 CAADRP [NH3+][C@@H](C(=O)NC1(CO)CCOCC1)C1CC[NH2+]CC1 ZINC001220018689 780291314 /nfs/dbraw/zinc/29/13/14/780291314.db2.gz OENYBQQGXSKTCH-LLVKDONJSA-N 2 0 271.361 -1.029 20 0 CAADRP C[S@](=O)CC[C@H]([NH3+])C(=O)n1cnc(C[NH3+])cc1=N ZINC001220020210 780291867 /nfs/dbraw/zinc/29/18/67/780291867.db2.gz ASLBLHQWZIDCKN-ASCAZGACSA-N 2 0 271.346 -1.443 20 0 CAADRP CC(C)[C@@](C)(NC(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2)C(N)=O ZINC001220023245 780292819 /nfs/dbraw/zinc/29/28/19/780292819.db2.gz SGIUXSRLWXDGLX-JOYOIKCWSA-N 2 0 268.361 -1.188 20 0 CAADRP O=C(N[C@H]1CCC(=O)NC1=O)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001220027754 780293215 /nfs/dbraw/zinc/29/32/15/780293215.db2.gz CYFDAMHBDWULIT-VHSXEESVSA-N 2 0 294.355 -1.218 20 0 CAADRP N=c1cc(C[NH3+])ncn1C(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001220020779 780293382 /nfs/dbraw/zinc/29/33/82/780293382.db2.gz VOPWDYGXIKGPFP-VIFPVBQESA-N 3 0 252.322 -1.082 20 0 CAADRP N=c1cc(C[NH3+])ncn1C(=O)[C@@]12CC[C@@H](N1)[C@H]([NH3+])C2 ZINC001220020812 780293572 /nfs/dbraw/zinc/29/35/72/780293572.db2.gz WPIJLSWXVARJQW-LNLATYFQSA-N 2 0 262.317 -1.317 20 0 CAADRP O=C(N[C@@H]1CCC(=O)NC1=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001220028522 780293900 /nfs/dbraw/zinc/29/39/00/780293900.db2.gz VVYDKVOKMDPVSA-JRKPZEMJSA-N 2 0 280.328 -1.893 20 0 CAADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N[C@@H]1CCC(=O)NC1=O ZINC001220028513 780294182 /nfs/dbraw/zinc/29/41/82/780294182.db2.gz VRZKGCYSYXMNJA-DTWKUNHWSA-N 2 0 270.333 -1.375 20 0 CAADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N[C@H]1CCC(=O)NC1=O ZINC001220028514 780294190 /nfs/dbraw/zinc/29/41/90/780294190.db2.gz VRZKGCYSYXMNJA-IUCAKERBSA-N 2 0 270.333 -1.375 20 0 CAADRP [NH3+][C@H](C(=O)N[C@H]1CCC(=O)NC1=O)C1CC[NH2+]CC1 ZINC001220030318 780294208 /nfs/dbraw/zinc/29/42/08/780294208.db2.gz BUDOPLGVLSTHBT-WPRPVWTQSA-N 2 0 268.317 -1.765 20 0 CAADRP [NH3+][C@@H](C(=O)N[C@H]1CCC(=O)NC1=O)C1CC[NH2+]CC1 ZINC001220030317 780294276 /nfs/dbraw/zinc/29/42/76/780294276.db2.gz BUDOPLGVLSTHBT-WCBMZHEXSA-N 2 0 268.317 -1.765 20 0 CAADRP [NH3+]CCCC[C@H]([NH3+])CC(=O)N[C@H]1CCC(=O)NC1=O ZINC001220031361 780295770 /nfs/dbraw/zinc/29/57/70/780295770.db2.gz VBLJXGMSWFUAQJ-IUCAKERBSA-N 2 0 270.333 -1.246 20 0 CAADRP CC(C)(CNC(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1)C(N)=O ZINC001220033688 780296159 /nfs/dbraw/zinc/29/61/59/780296159.db2.gz PHKJIUBCQHFPSJ-JTQLQIEISA-N 2 0 285.392 -1.636 20 0 CAADRP Cc1ncc(C[NH3+])c(=N)n1C(=O)[C@@H]([NH3+])CSCC[NH3+] ZINC001220043047 780296385 /nfs/dbraw/zinc/29/63/85/780296385.db2.gz CNZFEOLFWATUTK-VIFPVBQESA-N 3 0 284.389 -1.211 20 0 CAADRP CC(C)(CNC(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1)C(N)=O ZINC001220033691 780296461 /nfs/dbraw/zinc/29/64/61/780296461.db2.gz PHKJIUBCQHFPSJ-SNVBAGLBSA-N 2 0 285.392 -1.636 20 0 CAADRP [NH3+]CCCC[C@H]([NH3+])CC(=O)N[C@@H]1CCC(=O)NC1=O ZINC001220031360 780296723 /nfs/dbraw/zinc/29/67/23/780296723.db2.gz VBLJXGMSWFUAQJ-DTWKUNHWSA-N 2 0 270.333 -1.246 20 0 CAADRP CS(=O)(=O)N(CC[NH3+])CC(=O)NC(=N)SCC[NH3+] ZINC001220106287 780304655 /nfs/dbraw/zinc/30/46/55/780304655.db2.gz HSWVROVDJCGDTP-UHFFFAOYSA-N 2 0 297.406 -2.050 20 0 CAADRP Cc1ncc(C[NH3+])c(=N)n1C(=O)[C@@H]1C[NH2+]C[C@@H]1O ZINC001220043612 780297027 /nfs/dbraw/zinc/29/70/27/780297027.db2.gz ZAJRVCKAHMTBAU-BDAKNGLRSA-N 2 0 251.290 -1.650 20 0 CAADRP Cc1ncc(C[NH3+])c(=N)n1C(=O)[C@@]12CC[C@@H](N1)[C@H]([NH3+])C2 ZINC001220043214 780297045 /nfs/dbraw/zinc/29/70/45/780297045.db2.gz JKSZFKYUAFHVEO-BREBYQMCSA-N 2 0 276.344 -1.008 20 0 CAADRP Cc1ncc(C[NH3+])c(=N)n1C(=O)[C@@H]([NH3+])CCC[NH3+] ZINC001220043158 780297054 /nfs/dbraw/zinc/29/70/54/780297054.db2.gz HKNRUXCNOFFBIO-VIFPVBQESA-N 3 0 252.322 -1.164 20 0 CAADRP Cc1ncc(C[NH3+])c(=N)n1C(=O)[C@@]1(N)CCC[NH2+]C1 ZINC001220043280 780297263 /nfs/dbraw/zinc/29/72/63/780297263.db2.gz MAUVSAQBLRAMEB-GFCCVEGCSA-N 2 0 264.333 -1.149 20 0 CAADRP N=c1cc(C[NH3+])ccn1C(=O)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220045009 780297494 /nfs/dbraw/zinc/29/74/94/780297494.db2.gz HYEPCSFUHZWLMK-SNVBAGLBSA-N 3 0 261.329 -1.125 20 0 CAADRP Cc1ncc(C[NH3+])c(=N)n1C(=O)[C@H]1C[C@@H](O)C[NH2+]1 ZINC001220043390 780297576 /nfs/dbraw/zinc/29/75/76/780297576.db2.gz PMIJAIKIMIXHLT-RKDXNWHRSA-N 2 0 251.290 -1.507 20 0 CAADRP C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)n1ccc(C[NH3+])cc1=N ZINC001220045266 780297591 /nfs/dbraw/zinc/29/75/91/780297591.db2.gz SLLCWFNQADWFJL-CBAPKCEASA-N 2 0 281.316 -2.109 20 0 CAADRP N=c1cc(C[NH3+])ccn1C(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001220045027 780297640 /nfs/dbraw/zinc/29/76/40/780297640.db2.gz IRSMYZILYJHDKT-LBPRGKRZSA-N 3 0 292.387 -1.183 20 0 CAADRP Cc1ncc(C[NH3+])c(=N)n1C(=O)[C@@H]1CCCN1C(=O)C[NH3+] ZINC001220043180 780297785 /nfs/dbraw/zinc/29/77/85/780297785.db2.gz IAXZJRRSWPEZEX-JTQLQIEISA-N 2 0 292.343 -1.280 20 0 CAADRP Cc1ncc(C[NH3+])c(=N)n1C(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1 ZINC001220043573 780297801 /nfs/dbraw/zinc/29/78/01/780297801.db2.gz XHCKLMJYHLNGCD-INTQDDNPSA-N 2 0 276.344 -1.280 20 0 CAADRP Cc1ncc(C[NH3+])c(=N)n1C(=O)[C@@H]([NH3+])CC[S@](C)=O ZINC001220043515 780297843 /nfs/dbraw/zinc/29/78/43/780297843.db2.gz VCBMRRZHWARTGL-UGZDLDLSSA-N 2 0 285.373 -1.134 20 0 CAADRP Cc1ncc(C[NH3+])c(=N)n1C(=O)[C@H](C)NC(=O)[C@@H]([NH3+])CO ZINC001220044957 780297933 /nfs/dbraw/zinc/29/79/33/780297933.db2.gz FZMJHKYOFQAOMP-RCOVLWMOSA-N 2 0 296.331 -2.406 20 0 CAADRP Cc1ncc(C[NH3+])c(=N)n1C(=O)[C@@H]1C[C@@H]([NH3+])CN1 ZINC001220043407 780298056 /nfs/dbraw/zinc/29/80/56/780298056.db2.gz PZAOEAHHCQSUID-BDAKNGLRSA-N 2 0 250.306 -1.541 20 0 CAADRP N=c1cc(C[NH3+])ccn1C(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001220045026 780298116 /nfs/dbraw/zinc/29/81/16/780298116.db2.gz IRSMYZILYJHDKT-GFCCVEGCSA-N 3 0 292.387 -1.183 20 0 CAADRP Cc1ncc(C[NH3+])c(=N)n1C(=O)[C@@H]1C[C@H](O)C[NH2+]1 ZINC001220043389 780298142 /nfs/dbraw/zinc/29/81/42/780298142.db2.gz PMIJAIKIMIXHLT-IUCAKERBSA-N 2 0 251.290 -1.507 20 0 CAADRP Cc1ncc(C[NH3+])c(=N)n1C(=O)[C@H]1[NH2+]CC[C@@H]1O ZINC001220043192 780298144 /nfs/dbraw/zinc/29/81/44/780298144.db2.gz INWKGNXTAICFKZ-IUCAKERBSA-N 2 0 251.290 -1.507 20 0 CAADRP C[NH2+]CCNC(=O)c1cnc(N2CC[NH2+]CC2)cn1 ZINC001220057656 780298969 /nfs/dbraw/zinc/29/89/69/780298969.db2.gz UUMWSDCAIOOWNB-UHFFFAOYSA-N 2 0 264.333 -1.165 20 0 CAADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)NCCc1cc[nH]n1 ZINC001220061653 780299151 /nfs/dbraw/zinc/29/91/51/780299151.db2.gz BHERRCWPGPBRHX-LBPRGKRZSA-N 2 0 280.376 -1.181 20 0 CAADRP C[NH2+]CCNC(=O)[C@@H]1C[NH2+]CC12CCS(=O)(=O)CC2 ZINC001220053178 780299371 /nfs/dbraw/zinc/29/93/71/780299371.db2.gz XSBQBFWAFRHMLV-JTQLQIEISA-N 2 0 289.401 -1.264 20 0 CAADRP C[NH2+]CCNC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001220054820 780299695 /nfs/dbraw/zinc/29/96/95/780299695.db2.gz UHGDDPLOCMHLET-RYUDHWBXSA-N 3 0 299.419 -1.231 20 0 CAADRP C[NH2+]CCNC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)C[NH3+] ZINC001220056291 780299874 /nfs/dbraw/zinc/29/98/74/780299874.db2.gz RYGHYRGQKKKUJM-UWVGGRQHSA-N 2 0 299.375 -2.224 20 0 CAADRP C[NH2+]CCNC(=O)[C@@H]1CCS(=O)(=O)C12C[NH2+]C2 ZINC001220052908 780299903 /nfs/dbraw/zinc/29/99/03/780299903.db2.gz IWMFWGJSKRUHIN-QMMMGPOBSA-N 2 0 261.347 -1.901 20 0 CAADRP NC(=[NH2+])N(CCCC[NH3+])C(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220101460 780302072 /nfs/dbraw/zinc/30/20/72/780302072.db2.gz OPFYDKGFVKYJLF-VIFPVBQESA-N 4 0 268.365 -1.744 20 0 CAADRP NC(=[NH2+])N(CCCC[NH3+])C(=O)[C@@H](N)CN1CCC([NH3+])CC1 ZINC001220103498 780302161 /nfs/dbraw/zinc/30/21/61/780302161.db2.gz UIQPWKZPHVRBGW-NSHDSACASA-N 3 0 299.423 -1.802 20 0 CAADRP NC(=[NH2+])N(CCCC[NH3+])C(=O)[C@@H](N)CSCC[NH3+] ZINC001220103049 780302417 /nfs/dbraw/zinc/30/24/17/780302417.db2.gz DFRFTWPZWJJMKC-QMMMGPOBSA-N 3 0 276.410 -1.533 20 0 CAADRP NC(=[NH2+])N(CCCC[NH3+])C(=O)[C@@]12C[NH2+]C[C@H]1CCN2 ZINC001220101656 780302511 /nfs/dbraw/zinc/30/25/11/780302511.db2.gz WQYUAVMSRUXJPD-BXKDBHETSA-N 3 0 268.365 -1.601 20 0 CAADRP NC(=[NH2+])N(CCCC[NH3+])C(=O)[C@@]12CC[C@@H](N1)[C@H]([NH3+])C2 ZINC001220103381 780302536 /nfs/dbraw/zinc/30/25/36/780302536.db2.gz PXSZUIZLEAGZQW-LNLATYFQSA-N 3 0 268.365 -1.331 20 0 CAADRP N=C(NC(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1)SCC[NH3+] ZINC001220106626 780303450 /nfs/dbraw/zinc/30/34/50/780303450.db2.gz VLJXPUALUXLRIE-SECBINFHSA-N 3 0 288.421 -1.520 20 0 CAADRP N=C(NC(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2)SCC[NH3+] ZINC001220106070 780303534 /nfs/dbraw/zinc/30/35/34/780303534.db2.gz AOTUNUUURGLVEB-LDYMZIIASA-N 3 0 271.390 -1.072 20 0 CAADRP N=C(NC(=O)[C@H]1COC2(C[NH2+]C2)CN1)SCC[NH3+] ZINC001220106538 780303675 /nfs/dbraw/zinc/30/36/75/780303675.db2.gz RBEKQNYQZRJORC-SSDOTTSWSA-N 2 0 273.362 -1.940 20 0 CAADRP N=C(NC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1)SCC[NH3+] ZINC001220106089 780304156 /nfs/dbraw/zinc/30/41/56/780304156.db2.gz ASNWRHAYYYZIAG-BIIVOSGPSA-N 2 0 257.363 -1.321 20 0 CAADRP C[NH+](C)CCCC[C@H]([NH3+])C(=O)NC(CO)(CO)CO ZINC001220107979 780304471 /nfs/dbraw/zinc/30/44/71/780304471.db2.gz FATLWSRBVKVBOO-JTQLQIEISA-N 2 0 277.365 -2.123 20 0 CAADRP N=C(NC(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1)SCC[NH3+] ZINC001220106627 780304561 /nfs/dbraw/zinc/30/45/61/780304561.db2.gz VLJXPUALUXLRIE-VIFPVBQESA-N 3 0 288.421 -1.520 20 0 CAADRP CCC(CO)(CO)NC(=O)[C@@H]([NH3+])C1CC[NH2+]CC1 ZINC001220110236 780306015 /nfs/dbraw/zinc/30/60/15/780306015.db2.gz ZPWMPDKRLZOVPD-JTQLQIEISA-N 2 0 259.350 -1.437 20 0 CAADRP CCC(CO)(CO)NC(=O)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220109644 780306236 /nfs/dbraw/zinc/30/62/36/780306236.db2.gz HVMUHGZHLPCVGZ-SECBINFHSA-N 2 0 257.334 -1.955 20 0 CAADRP CO[C@@H]1COCC[C@H]1NC(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220141810 780308973 /nfs/dbraw/zinc/30/89/73/780308973.db2.gz XAEPMQJIDBTHPG-HBNTYKKESA-N 2 0 269.345 -1.285 20 0 CAADRP CS(=O)(=O)[C@H]1C[C@H](NC(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)C1 ZINC001220139795 780309024 /nfs/dbraw/zinc/30/90/24/780309024.db2.gz WSJDBNMQEKJBLJ-OPRDCNLKSA-N 2 0 287.385 -1.513 20 0 CAADRP CS(=O)(=O)[C@H]1C[C@H](NC(=O)[C@@H]([NH3+])CCC[NH3+])C1 ZINC001220138638 780309748 /nfs/dbraw/zinc/30/97/48/780309748.db2.gz BIFSRIOQQXRIHW-CIUDSAMLSA-N 2 0 263.363 -1.256 20 0 CAADRP O=C(NC1CC2(C1)CS(=O)(=O)C2)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220143507 780310632 /nfs/dbraw/zinc/31/06/32/780310632.db2.gz KXDVQBDNWXRWHY-JTQLQIEISA-N 2 0 299.396 -1.511 20 0 CAADRP [NH3+]CCC[C@@H]([NH3+])C(=O)NC1CC2(C1)CS(=O)(=O)C2 ZINC001220143576 780311208 /nfs/dbraw/zinc/31/12/08/780311208.db2.gz NMOFTOFOFNQSHT-SECBINFHSA-N 2 0 275.374 -1.254 20 0 CAADRP CS(=O)(=O)N1CC(NC(=O)[C@H]([NH3+])CCC[NH3+])C1 ZINC001220145453 780311397 /nfs/dbraw/zinc/31/13/97/780311397.db2.gz CPANYIXMBIQQGW-MRVPVSSYSA-N 2 0 264.351 -2.187 20 0 CAADRP CS(=O)(=O)N(CC[NH3+])CC(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC001220150056 780312096 /nfs/dbraw/zinc/31/20/96/780312096.db2.gz OQABHDOUVWZILJ-DTORHVGOSA-N 2 0 278.378 -1.940 20 0 CAADRP [NH3+][C@@H](C(=O)NC1CC(CO)(CO)C1)C1CC[NH2+]CC1 ZINC001220151935 780312197 /nfs/dbraw/zinc/31/21/97/780312197.db2.gz NIEUAFNSMCIDON-LLVKDONJSA-N 2 0 271.361 -1.437 20 0 CAADRP [NH3+][C@H]1C[C@@H](CNC(=O)[C@@H]2COC3(C[NH2+]C3)CN2)C1 ZINC001220149969 780312285 /nfs/dbraw/zinc/31/22/85/780312285.db2.gz LDFCFVRBMUIMBE-AEJSXWLSSA-N 2 0 254.334 -1.830 20 0 CAADRP CS(=O)(=O)N1CC(NC(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)C1 ZINC001220145978 780312302 /nfs/dbraw/zinc/31/23/02/780312302.db2.gz YIKKNEKUZPZZOJ-SECBINFHSA-N 2 0 288.373 -2.445 20 0 CAADRP CC[C@H](C)[C@H]([NH3+])C(=O)NCC(=O)NC1(C[NH3+])COC1 ZINC001220157007 780313572 /nfs/dbraw/zinc/31/35/72/780313572.db2.gz TUWJPOBPXOMFDP-WPRPVWTQSA-N 2 0 272.349 -1.680 20 0 CAADRP CC(=O)N[C@@H](CCCC[NH3+])C(=O)NC1(C[NH3+])COC1 ZINC001220156567 780313598 /nfs/dbraw/zinc/31/35/98/780313598.db2.gz AJFHJNMUOILTMU-JTQLQIEISA-N 2 0 272.349 -1.536 20 0 CAADRP CC(C)C[C@H](NC(=O)C[NH3+])C(=O)NC1(C[NH3+])COC1 ZINC001220154034 780313820 /nfs/dbraw/zinc/31/38/20/780313820.db2.gz IJQAHWFYCVDDII-VIFPVBQESA-N 2 0 272.349 -1.680 20 0 CAADRP C[N@@H+]1CCC[C@H](NC(=O)CN(CC[NH3+])S(C)(=O)=O)C1 ZINC001220158684 780313956 /nfs/dbraw/zinc/31/39/56/780313956.db2.gz DMMABCVNMHNHFV-JTQLQIEISA-N 2 0 292.405 -1.583 20 0 CAADRP [NH3+]CC1(NC(=O)[C@@H]2CCC3(CC[NH2+]CC3)[NH2+]2)COC1 ZINC001220154202 780314015 /nfs/dbraw/zinc/31/40/15/780314015.db2.gz OEEWTRUSICEFSK-JTQLQIEISA-N 3 0 268.361 -1.296 20 0 CAADRP C[N@@H+]1CCC[C@H](NC(=O)[C@H]([NH3+])CCCNC(N)=O)C1 ZINC001220157008 780314723 /nfs/dbraw/zinc/31/47/23/780314723.db2.gz TZEBMEZZALJUKF-VHSXEESVSA-N 2 0 271.365 -1.027 20 0 CAADRP [NH3+][C@H](C(=O)N[C@H]1COCCC12OCCO2)C1CC[NH2+]CC1 ZINC001220173276 780315917 /nfs/dbraw/zinc/31/59/17/780315917.db2.gz MBLNQAYNLPNWLF-RYUDHWBXSA-N 2 0 299.371 -1.039 20 0 CAADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)NC1(CCO)COC1 ZINC001220174381 780316145 /nfs/dbraw/zinc/31/61/45/780316145.db2.gz XTWQSRNJDPDADH-JTQLQIEISA-N 2 0 259.350 -1.029 20 0 CAADRP N=C(NC(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1)c1ncc[nH]1 ZINC001220181291 780317117 /nfs/dbraw/zinc/31/71/17/780317117.db2.gz IMQAVFTZPQYKTJ-VIFPVBQESA-N 2 0 279.348 -1.398 20 0 CAADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)N[C@H]1COCC[C@@H]1O ZINC001220181506 780317332 /nfs/dbraw/zinc/31/73/32/780317332.db2.gz RBLKMCYNYNPKQN-WOPDTQHZSA-N 2 0 286.376 -1.997 20 0 CAADRP N=C(NC(=O)[C@@H]([NH3+])CSCC[NH3+])c1ncc[nH]1 ZINC001220181278 780317779 /nfs/dbraw/zinc/31/77/79/780317779.db2.gz HMAJBROPMIDCOD-LURJTMIESA-N 2 0 256.335 -1.130 20 0 CAADRP O=C(N[C@H]1COCC[C@@H]1O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001220181280 780317886 /nfs/dbraw/zinc/31/78/86/780317886.db2.gz HWIBCPQODJFDSN-MPPDQPJWSA-N 2 0 269.345 -1.549 20 0 CAADRP O=C(NC[C@@H]1CNC(=O)C1)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220203062 780318460 /nfs/dbraw/zinc/31/84/60/780318460.db2.gz UUCRYDLVGAKTCL-IUCAKERBSA-N 2 0 252.318 -1.952 20 0 CAADRP COc1ccnc(C(=N)NC(=O)[C@H]([NH3+])CCC[NH3+])n1 ZINC001220183354 780318487 /nfs/dbraw/zinc/31/84/87/780318487.db2.gz MMWKRNGBXDRAFH-SSDOTTSWSA-N 2 0 266.305 -1.007 20 0 CAADRP COCCC[NH+]1CCC(NC(=O)[C@@H](N)C[NH3+])CC1 ZINC001220200901 780319047 /nfs/dbraw/zinc/31/90/47/780319047.db2.gz ZAOPSUVZWGCQOH-NSHDSACASA-N 2 0 258.366 -1.111 20 0 CAADRP COc1ccnc(C(=N)NC(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)n1 ZINC001220183827 780319346 /nfs/dbraw/zinc/31/93/46/780319346.db2.gz ZOKMQCPAFWEENU-QMMMGPOBSA-N 2 0 290.327 -1.264 20 0 CAADRP O=C(NC[C@H]1CNC(=O)C1)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220203060 780319832 /nfs/dbraw/zinc/31/98/32/780319832.db2.gz UUCRYDLVGAKTCL-BDAKNGLRSA-N 2 0 252.318 -1.952 20 0 CAADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)NC[C@H]1CNC(=O)C1 ZINC001220202510 780319847 /nfs/dbraw/zinc/31/98/47/780319847.db2.gz DMDQRJQQUOCZOE-KOLCDFICSA-N 2 0 283.376 -2.011 20 0 CAADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)NC[C@@H]1CNC(=O)C1 ZINC001220202522 780320078 /nfs/dbraw/zinc/32/00/78/780320078.db2.gz FDZBDTWNSGYTCM-UWVGGRQHSA-N 2 0 256.350 -1.044 20 0 CAADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)NC[C@@H]1CNC(=O)C1 ZINC001220202512 780320238 /nfs/dbraw/zinc/32/02/38/780320238.db2.gz DMDQRJQQUOCZOE-ONGXEEELSA-N 2 0 283.376 -2.011 20 0 CAADRP O=C(NC[C@H]1CNC(=O)C1)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001220202909 780320300 /nfs/dbraw/zinc/32/03/00/780320300.db2.gz PFYBJMBLSPRMOI-GIPNMCIBSA-N 2 0 266.345 -1.562 20 0 CAADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)NC[C@@H]1CNC(=O)C1 ZINC001220202509 780320508 /nfs/dbraw/zinc/32/05/08/780320508.db2.gz DMDQRJQQUOCZOE-GXSJLCMTSA-N 2 0 283.376 -2.011 20 0 CAADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)NC[C@H]1CNC(=O)C1 ZINC001220202511 780320868 /nfs/dbraw/zinc/32/08/68/780320868.db2.gz DMDQRJQQUOCZOE-MWLCHTKSSA-N 2 0 283.376 -2.011 20 0 CAADRP C[C@@H](C(N)=O)N1C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C1 ZINC001220234020 780321526 /nfs/dbraw/zinc/32/15/26/780321526.db2.gz QQENFWPTCZIHTI-AXFHLTTASA-N 2 0 286.376 -1.637 20 0 CAADRP C[NH+](C)CCCC(=O)N[C@@H]1CN([C@@H]2CCNC2=O)C[C@@H]1O ZINC001220232253 780321556 /nfs/dbraw/zinc/32/15/56/780321556.db2.gz LOEDJYNYZVWGFG-UTUOFQBUSA-N 2 0 298.387 -1.622 20 0 CAADRP C[NH+](C)CCCC(=O)N[C@@H]1CN([C@H]2CCNC2=O)C[C@@H]1O ZINC001220232254 780322036 /nfs/dbraw/zinc/32/20/36/780322036.db2.gz LOEDJYNYZVWGFG-WOPDTQHZSA-N 2 0 298.387 -1.622 20 0 CAADRP C[C@H](O)C[N@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C1 ZINC001220237453 780323637 /nfs/dbraw/zinc/32/36/37/780323637.db2.gz XARGVPHWKAVPLM-TUAOUCFPSA-N 2 0 273.377 -1.130 20 0 CAADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)NCCc1cnccn1 ZINC001220242783 780324160 /nfs/dbraw/zinc/32/41/60/780324160.db2.gz HVTBKZZJBCPPEY-ZDUSSCGKSA-N 2 0 292.387 -1.114 20 0 CAADRP CN1C[C@@H](CNC(=O)[C@@H]([NH3+])CSCC[NH3+])CC1=O ZINC001220245317 780325531 /nfs/dbraw/zinc/32/55/31/780325531.db2.gz NJONLZQSIJCJGK-BDAKNGLRSA-N 2 0 274.390 -1.400 20 0 CAADRP CN1C[C@@H](CNC(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)CC1=O ZINC001220245247 780325599 /nfs/dbraw/zinc/32/55/99/780325599.db2.gz LRQQUUITIYSEDN-NXEZZACHSA-N 2 0 266.345 -1.610 20 0 CAADRP CN1C[C@H](CNC(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)CC1=O ZINC001220245249 780325756 /nfs/dbraw/zinc/32/57/56/780325756.db2.gz LRQQUUITIYSEDN-VHSXEESVSA-N 2 0 266.345 -1.610 20 0 CAADRP C[N@@H+]1CCC[C@H]1CCNC(=O)[C@H]1COC2(C[NH2+]C2)CN1 ZINC001220252061 780326575 /nfs/dbraw/zinc/32/65/75/780326575.db2.gz NDJNSZHSIBTLLB-NWDGAFQWSA-N 2 0 282.388 -1.083 20 0 CAADRP C[N@@H+]1CCC[C@@H]1CCNC(=O)[C@H]1COC2(C[NH2+]C2)CN1 ZINC001220252063 780326988 /nfs/dbraw/zinc/32/69/88/780326988.db2.gz NDJNSZHSIBTLLB-VXGBXAGGSA-N 2 0 282.388 -1.083 20 0 CAADRP CN(C)S(=O)(=O)CCNC(=O)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220268694 780328153 /nfs/dbraw/zinc/32/81/53/780328153.db2.gz OYMQTBNOIGSWBJ-SECBINFHSA-N 2 0 290.389 -2.197 20 0 CAADRP CN(C)S(=O)(=O)CCNC(=O)[C@@H]([NH3+])CCC[NH3+] ZINC001220269210 780328224 /nfs/dbraw/zinc/32/82/24/780328224.db2.gz XIGJZKLCJQBVIU-QMMMGPOBSA-N 2 0 266.367 -1.940 20 0 CAADRP [NH3+]CCN(C(=O)[C@H]1C[NH2+]C[C@H]1O)c1cccnc1 ZINC001220263781 780328369 /nfs/dbraw/zinc/32/83/69/780328369.db2.gz XMLDOFXIZQYULT-WDEREUQCSA-N 2 0 250.302 -1.046 20 0 CAADRP NC(=O)CCNC(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001220276519 780329339 /nfs/dbraw/zinc/32/93/39/780329339.db2.gz LKGFVJVOSODJCP-SECBINFHSA-N 2 0 257.338 -2.272 20 0 CAADRP Cn1cc(CCNC(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)cn1 ZINC001220276243 780329447 /nfs/dbraw/zinc/32/94/47/780329447.db2.gz AUORBWBICXBCMA-CYBMUJFWSA-N 2 0 294.403 -1.171 20 0 CAADRP CS(=O)(=O)N(CC[NH3+])CC(=O)N[C@H]1CC[NH2+]C1 ZINC001220282173 780329592 /nfs/dbraw/zinc/32/95/92/780329592.db2.gz HPXLXYXZUIWSJZ-QMMMGPOBSA-N 2 0 264.351 -2.315 20 0 CAADRP Cn1cc(CCNC(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)cn1 ZINC001220276397 780329849 /nfs/dbraw/zinc/32/98/49/780329849.db2.gz JCMWVQJEGYEYIB-NSHDSACASA-N 2 0 263.345 -1.112 20 0 CAADRP COC[C@H](O)C[N@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001220275401 780330251 /nfs/dbraw/zinc/33/02/51/780330251.db2.gz XHCNIVRCJUQFFI-UTUOFQBUSA-N 2 0 289.376 -1.893 20 0 CAADRP Cn1cc(CCNC(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)cn1 ZINC001220276244 780330392 /nfs/dbraw/zinc/33/03/92/780330392.db2.gz AUORBWBICXBCMA-ZDUSSCGKSA-N 2 0 294.403 -1.171 20 0 CAADRP NC(=O)CCNC(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001220276521 780330543 /nfs/dbraw/zinc/33/05/43/780330543.db2.gz LKGFVJVOSODJCP-VIFPVBQESA-N 2 0 257.338 -2.272 20 0 CAADRP COCCn1cncc1CNC(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220274874 780330690 /nfs/dbraw/zinc/33/06/90/780330690.db2.gz RGEUJPZSZAVMKT-LBPRGKRZSA-N 2 0 293.371 -1.045 20 0 CAADRP O=C(N[C@@H](CO)Cc1c[nH]cn1)[C@H]1[NH2+]CC[C@@H]1O ZINC001220291792 780331183 /nfs/dbraw/zinc/33/11/83/780331183.db2.gz XTWMGCDWZTVTBQ-UTLUCORTSA-N 2 0 254.290 -1.848 20 0 CAADRP [NH3+]CCC[C@H]([NH3+])C(=O)N[C@@H](CO)Cc1c[nH]cn1 ZINC001220290981 780331622 /nfs/dbraw/zinc/33/16/22/780331622.db2.gz JCZNSVZBPKCBKN-ZJUUUORDSA-N 2 0 255.322 -1.505 20 0 CAADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)NCC1OCCO1 ZINC001220288816 780331754 /nfs/dbraw/zinc/33/17/54/780331754.db2.gz JBWMBNQTPXSMLL-JTQLQIEISA-N 2 0 272.349 -1.774 20 0 CAADRP O=C(N[C@@H](CO)Cc1c[nH]cn1)[C@@H]1C[C@H](O)C[NH2+]1 ZINC001220292020 780331870 /nfs/dbraw/zinc/33/18/70/780331870.db2.gz ZGMCRPVHDUJRQN-UTLUCORTSA-N 2 0 254.290 -1.848 20 0 CAADRP O=C(N[C@@H](CO)Cc1c[nH]cn1)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220290771 780332064 /nfs/dbraw/zinc/33/20/64/780332064.db2.gz DMKCNHJVFZODHY-GHMZBOCLSA-N 2 0 279.344 -1.762 20 0 CAADRP [NH3+][C@@H](C(=O)N[C@@H](CO)Cc1c[nH]cn1)C1CC[NH2+]CC1 ZINC001220291806 780332129 /nfs/dbraw/zinc/33/21/29/780332129.db2.gz YCUCBUSGNFKRJJ-VXGBXAGGSA-N 3 0 281.360 -1.244 20 0 CAADRP N[C@]1(C(=O)N[C@@H](CO)Cc2c[nH]cn2)CC[NH2+]C1 ZINC001220291361 780332255 /nfs/dbraw/zinc/33/22/55/780332255.db2.gz RTOOWZUVKHITAT-MWLCHTKSSA-N 2 0 253.306 -1.880 20 0 CAADRP [NH3+]CCNCC(=O)NCc1ncn2c1C[NH2+]CCC2 ZINC001220312727 780333305 /nfs/dbraw/zinc/33/33/05/780333305.db2.gz DAPHXMBQPPOJOL-UHFFFAOYSA-N 2 0 266.349 -1.459 20 0 CAADRP CC(=O)OC[C@H]([NH3+])C(=O)NCc1ncn2c1C[NH2+]CCC2 ZINC001220311040 780333325 /nfs/dbraw/zinc/33/33/25/780333325.db2.gz JKOHWQZNXASVOD-JTQLQIEISA-N 2 0 295.343 -1.117 20 0 CAADRP C[N@@H+]1CCCN(CCNC(=O)[C@@]23C[NH2+]C[C@H]2CCN3)CC1 ZINC001220304198 780333335 /nfs/dbraw/zinc/33/33/35/780333335.db2.gz TZRMLODVIODPHT-UKRRQHHQSA-N 2 0 295.431 -1.308 20 0 CAADRP [NH3+][C@H]1CN[C@H](C(=O)NCc2ncn3c2C[NH2+]CCC3)C1 ZINC001220310499 780333372 /nfs/dbraw/zinc/33/33/72/780333372.db2.gz BAMQZIDNAYYZPZ-ZJUUUORDSA-N 2 0 278.360 -1.318 20 0 CAADRP C[N@@H+]1CCCN(CCNC(=O)C[C@H](O)C[NH3+])CC1 ZINC001220304192 780334100 /nfs/dbraw/zinc/33/41/00/780334100.db2.gz TVWLGXYAPIZWFY-NSHDSACASA-N 2 0 258.366 -1.550 20 0 CAADRP C[N@@H+]1CCCN(CCNC(=O)[C@H]2C[NH2+]C[C@@H]2N)CC1 ZINC001220306275 780334194 /nfs/dbraw/zinc/33/41/94/780334194.db2.gz HLJXBWJGCUKZKE-RYUDHWBXSA-N 2 0 269.393 -1.713 20 0 CAADRP C[N@@H+]1CCCN(CCNC(=O)[C@]23C[NH2+]C[C@@H]2CCN3)CC1 ZINC001220304199 780334206 /nfs/dbraw/zinc/33/42/06/780334206.db2.gz TZRMLODVIODPHT-ZFWWWQNUSA-N 2 0 295.431 -1.308 20 0 CAADRP O=C(NCc1ncn2c1C[NH2+]CCC2)[C@H]1[NH2+]CC[C@@H]1O ZINC001220313361 780334239 /nfs/dbraw/zinc/33/42/39/780334239.db2.gz NKPVXMPGDDIMRK-RYUDHWBXSA-N 2 0 279.344 -1.285 20 0 CAADRP O=C(CN1CC[NH2+]CC1)N[C@@H]1CO[C@]2(C1)CCC[NH2+]C2 ZINC001220315965 780334613 /nfs/dbraw/zinc/33/46/13/780334613.db2.gz KYEUDWBFMPRROL-JSGCOSHPSA-N 2 0 282.388 -1.081 20 0 CAADRP [NH3+]C[C@H](O)CC(=O)N[C@@H]1CO[C@@]2(C1)CCC[NH2+]C2 ZINC001220315735 780334707 /nfs/dbraw/zinc/33/47/07/780334707.db2.gz HSCXPMRRGFDUBJ-HOSYDEDBSA-N 2 0 257.334 -1.277 20 0 CAADRP O=C(N[C@H]1CO[C@]2(C1)CCC[NH2+]C2)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1 ZINC001220315606 780334885 /nfs/dbraw/zinc/33/48/85/780334885.db2.gz FYTOYXSYZJYUEK-ARUSPNSKSA-N 2 0 294.399 -1.036 20 0 CAADRP CC(=O)OC[C@H]([NH3+])C(=O)N[C@@H]1CO[C@]2(C1)CCC[NH2+]C2 ZINC001220316478 780334991 /nfs/dbraw/zinc/33/49/91/780334991.db2.gz PUKVLDAYMPNNEN-GVXVVHGQSA-N 2 0 285.344 -1.096 20 0 CAADRP [NH3+]CCCC[C@H]([NH3+])C(=O)NC[C@H]1CNC(=O)CO1 ZINC001220316465 780335461 /nfs/dbraw/zinc/33/54/61/780335461.db2.gz PNNNARLJHHSRCN-BDAKNGLRSA-N 2 0 258.322 -1.926 20 0 CAADRP [NH3+]CCCC[C@H]([NH3+])C(=O)NC[C@@H]1CNC(=O)CO1 ZINC001220316466 780335491 /nfs/dbraw/zinc/33/54/91/780335491.db2.gz PNNNARLJHHSRCN-IUCAKERBSA-N 2 0 258.322 -1.926 20 0 CAADRP O=C(N[C@@H]1CO[C@@]2(C1)CCC[NH2+]C2)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1 ZINC001220315609 780335513 /nfs/dbraw/zinc/33/55/13/780335513.db2.gz FYTOYXSYZJYUEK-XOBFJNJYSA-N 2 0 294.399 -1.036 20 0 CAADRP [NH3+][C@H](C(=O)NC[C@@H]1CNC(=O)CO1)C1CC[NH2+]CC1 ZINC001220316410 780335533 /nfs/dbraw/zinc/33/55/33/780335533.db2.gz PAJRFNNDSCBGBJ-ONGXEEELSA-N 2 0 270.333 -2.056 20 0 CAADRP [NH3+]C[C@H](O)CC(=O)N[C@H]1CO[C@]2(C1)CCC[NH2+]C2 ZINC001220315734 780335591 /nfs/dbraw/zinc/33/55/91/780335591.db2.gz HSCXPMRRGFDUBJ-FOGDFJRCSA-N 2 0 257.334 -1.277 20 0 CAADRP [NH3+]CCNCC(=O)N[C@H]1CO[C@]2(C1)CCC[NH2+]C2 ZINC001220319285 780336443 /nfs/dbraw/zinc/33/64/43/780336443.db2.gz FNKBGMTWYDLGSC-PWSUYJOCSA-N 2 0 256.350 -1.438 20 0 CAADRP N[C@@H](CC[NH3+])C(=O)N[C@@H]1CO[C@]2(C1)CCC[NH2+]C2 ZINC001220321489 780336448 /nfs/dbraw/zinc/33/64/48/780336448.db2.gz URMVAKVETPVGJD-NHCYSSNCSA-N 2 0 256.350 -1.310 20 0 CAADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)NC[C@H]1CNC(=O)CO1 ZINC001220317246 780336493 /nfs/dbraw/zinc/33/64/93/780336493.db2.gz XBOWXCZGFAKZLH-GHMZBOCLSA-N 2 0 299.375 -2.632 20 0 CAADRP O=C(N[C@@H]1CO[C@@]2(C1)CCC[NH2+]C2)[C@@H]1C[NH2+]C[C@@H]1O ZINC001220319916 780336543 /nfs/dbraw/zinc/33/65/43/780336543.db2.gz KEDDXJUSZRGQTJ-SRRSOLGSSA-N 2 0 269.345 -1.406 20 0 CAADRP O=C(N[C@H]1CO[C@@]2(C1)CCC[NH2+]C2)[C@@H]1C[NH2+]CCN1 ZINC001220320832 780336572 /nfs/dbraw/zinc/33/65/72/780336572.db2.gz QDPYPWFATOEMRQ-NTZNESFSSA-N 2 0 268.361 -1.425 20 0 CAADRP [NH3+]CCC[NH2+]CC(=O)N[C@@H]1CO[C@@]2(C1)CCC[NH2+]C2 ZINC001220319759 780336589 /nfs/dbraw/zinc/33/65/89/780336589.db2.gz JHSWZOKHEJSFMO-WCQYABFASA-N 3 0 270.377 -1.048 20 0 CAADRP O=C(N[C@H]1CO[C@@]2(C1)CCC[NH2+]C2)[C@H]1C[C@@H](O)C[NH2+]1 ZINC001220317094 780336612 /nfs/dbraw/zinc/33/66/12/780336612.db2.gz VTXIDXMHBUCFCU-PRULPYPASA-N 2 0 269.345 -1.264 20 0 CAADRP O=C(N[C@@H]1CO[C@]2(C1)CCC[NH2+]C2)[C@@H]1C[C@H](O)C[NH2+]1 ZINC001220317098 780336622 /nfs/dbraw/zinc/33/66/22/780336622.db2.gz VTXIDXMHBUCFCU-ZPFDUUQYSA-N 2 0 269.345 -1.264 20 0 CAADRP O=C(NC[C@@H]1CNC(=O)CO1)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001220316627 780336681 /nfs/dbraw/zinc/33/66/81/780336681.db2.gz RLNQRILHQKQORC-GBIKHYSHSA-N 2 0 282.344 -2.183 20 0 CAADRP O=C(N[C@H]1CO[C@@]2(C1)CCC[NH2+]C2)[C@H]1[NH2+]CC[C@@H]1O ZINC001220318896 780336723 /nfs/dbraw/zinc/33/67/23/780336723.db2.gz BNUYCSSTXVPKSY-MPPDQPJWSA-N 2 0 269.345 -1.264 20 0 CAADRP O=C(NC[C@H]1CNC(=O)CO1)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001220316628 780336740 /nfs/dbraw/zinc/33/67/40/780336740.db2.gz RLNQRILHQKQORC-GIPNMCIBSA-N 2 0 282.344 -2.183 20 0 CAADRP O=C(N[C@@H]1CO[C@@]2(C1)CCC[NH2+]C2)[C@@]12C[NH2+]C[C@@H]1CCN2 ZINC001220317112 780336744 /nfs/dbraw/zinc/33/67/44/780336744.db2.gz VWPZRLMFNNQTPH-DDHJSBNISA-N 2 0 294.399 -1.035 20 0 CAADRP [NH3+]CCC[NH2+]CC(=O)N[C@H]1CO[C@]2(C1)CCC[NH2+]C2 ZINC001220319761 780336757 /nfs/dbraw/zinc/33/67/57/780336757.db2.gz JHSWZOKHEJSFMO-YPMHNXCESA-N 3 0 270.377 -1.048 20 0 CAADRP [NH3+]CCCC[C@H]([NH3+])CC(=O)NC[C@@H]1CNC(=O)CO1 ZINC001220317555 780336798 /nfs/dbraw/zinc/33/67/98/780336798.db2.gz ZXOCNEVRBTZSBV-VHSXEESVSA-N 2 0 272.349 -1.536 20 0 CAADRP O=C(N[C@@H]1CO[C@@]2(C1)CCC[NH2+]C2)[C@@]12C[NH2+]C[C@H]1CCN2 ZINC001220317101 780336892 /nfs/dbraw/zinc/33/68/92/780336892.db2.gz VWPZRLMFNNQTPH-AYRXBEOTSA-N 2 0 294.399 -1.035 20 0 CAADRP O=C(N[C@H]1CO[C@@]2(C1)CCC[NH2+]C2)[C@@H]1C[C@H](O)C[NH2+]1 ZINC001220317092 780336909 /nfs/dbraw/zinc/33/69/09/780336909.db2.gz VTXIDXMHBUCFCU-MPPDQPJWSA-N 2 0 269.345 -1.264 20 0 CAADRP N[C@@H](CC[NH3+])C(=O)N[C@H]1CO[C@@]2(C1)CCC[NH2+]C2 ZINC001220321488 780336918 /nfs/dbraw/zinc/33/69/18/780336918.db2.gz URMVAKVETPVGJD-JFGNBEQYSA-N 2 0 256.350 -1.310 20 0 CAADRP O=C(N[C@H]1CO[C@]2(C1)CCC[NH2+]C2)[C@@H]1C[NH2+]CCN1 ZINC001220320830 780336950 /nfs/dbraw/zinc/33/69/50/780336950.db2.gz QDPYPWFATOEMRQ-MDZLAQPJSA-N 2 0 268.361 -1.425 20 0 CAADRP Cc1cc(NC(=O)[C@H]([NH3+])CCC[NH3+])n(N)c(=O)c1 ZINC001220323886 780337833 /nfs/dbraw/zinc/33/78/33/780337833.db2.gz PXFBBXBTPMVFIX-MRVPVSSYSA-N 2 0 253.306 -1.125 20 0 CAADRP NC(=O)[C@H](CO)NC(=O)[C@@H]([NH3+])CSCC[NH3+] ZINC001220328851 780337999 /nfs/dbraw/zinc/33/79/99/780337999.db2.gz CYQCCJBQTQVFFA-WDSKDSINSA-N 2 0 250.324 -3.032 20 0 CAADRP C[NH+](C)CCCC[C@H]([NH3+])C(=O)N[C@@H](CO)C(N)=O ZINC001220329289 780338214 /nfs/dbraw/zinc/33/82/14/780338214.db2.gz LLNPQRXYZBYDQW-IUCAKERBSA-N 2 0 260.338 -1.992 20 0 CAADRP NC(=O)[C@H](CO)NC(=O)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001220329223 780338258 /nfs/dbraw/zinc/33/82/58/780338258.db2.gz JTIIKLQOWRMXEA-IUCAKERBSA-N 2 0 270.333 -2.177 20 0 CAADRP CC(C)[NH2+]CCCC[C@H]([NH3+])C(=O)N[C@@H](CO)C(N)=O ZINC001220329637 780339835 /nfs/dbraw/zinc/33/98/35/780339835.db2.gz VVFINPHIGUAFBN-UWVGGRQHSA-N 2 0 274.365 -1.556 20 0 CAADRP CCOC(=O)C1(NC(=O)[C@H]2C[C@@H](O)C[NH2+]2)CC[NH+](C)CC1 ZINC001220345747 780340441 /nfs/dbraw/zinc/34/04/41/780340441.db2.gz NTSHUBNGYRUCGQ-GHMZBOCLSA-N 2 0 299.371 -1.147 20 0 CAADRP CCOC(=O)C1(NC(=O)[C@H]2C[NH2+]C[C@@H]2N)CC[NH+](C)CC1 ZINC001220345820 780340706 /nfs/dbraw/zinc/34/07/06/780340706.db2.gz PTUIVIMMDLCLEM-QWRGUYRKSA-N 2 0 298.387 -1.323 20 0 CAADRP CN1CCOC[C@@H]1CNC(=O)[C@@H]([NH3+])C1CC[NH2+]CC1 ZINC001220382404 780342464 /nfs/dbraw/zinc/34/24/64/780342464.db2.gz WHAWCFCJKPSPRB-RYUDHWBXSA-N 2 0 270.377 -1.240 20 0 CAADRP CN1CCOC[C@H]1CNC(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001220380789 780342691 /nfs/dbraw/zinc/34/26/91/780342691.db2.gz CLKHZNXFVFJVSQ-OLZOCXBDSA-N 2 0 299.419 -1.816 20 0 CAADRP CN1CCOC[C@H]1CNC(=O)[C@@H]([NH3+])C1CC[NH2+]CC1 ZINC001220382400 780342857 /nfs/dbraw/zinc/34/28/57/780342857.db2.gz WHAWCFCJKPSPRB-NEPJUHHUSA-N 2 0 270.377 -1.240 20 0 CAADRP CN1CCOC[C@H]1CNC(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001220382023 780343299 /nfs/dbraw/zinc/34/32/99/780343299.db2.gz PTARMWNEYBUCJA-YRGRVCCFSA-N 2 0 282.388 -1.368 20 0 CAADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)NCC1(O)CCC1 ZINC001220384038 780343374 /nfs/dbraw/zinc/34/33/74/780343374.db2.gz HNWFAKVVTBYOIL-LLVKDONJSA-N 2 0 270.377 -1.232 20 0 CAADRP CN1CCOC[C@@H]1CNC(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001220380793 780343512 /nfs/dbraw/zinc/34/35/12/780343512.db2.gz CLKHZNXFVFJVSQ-STQMWFEESA-N 2 0 299.419 -1.816 20 0 CAADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)NCC1(O)CCC1 ZINC001220384039 780343564 /nfs/dbraw/zinc/34/35/64/780343564.db2.gz HNWFAKVVTBYOIL-NSHDSACASA-N 2 0 270.377 -1.232 20 0 CAADRP C=CC(=O)NCCNC(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001220397112 780344364 /nfs/dbraw/zinc/34/43/64/780344364.db2.gz ZAWPMCZPNHTYHX-NSHDSACASA-N 2 0 283.376 -1.845 20 0 CAADRP C=CC(=O)NCCNC(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001220397111 780344730 /nfs/dbraw/zinc/34/47/30/780344730.db2.gz ZAWPMCZPNHTYHX-LLVKDONJSA-N 2 0 283.376 -1.845 20 0 CAADRP O=C(NCC12CC[NH+](CC1)CC2)[C@H]1COC2(C[NH2+]C2)CN1 ZINC001220395096 780344905 /nfs/dbraw/zinc/34/49/05/780344905.db2.gz VLCUPEOUSTYYMB-GFCCVEGCSA-N 2 0 294.399 -1.081 20 0 CAADRP C=CC(=O)NCCNC(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001220395146 780345125 /nfs/dbraw/zinc/34/51/25/780345125.db2.gz YFHIAJQGMBTGSP-ZWNOBZJWSA-N 2 0 266.345 -1.396 20 0 CAADRP Cn1c(=O)cc(NC(=O)[C@@H]([NH3+])CSCC[NH3+])[nH]c1=O ZINC001220424864 780346432 /nfs/dbraw/zinc/34/64/32/780346432.db2.gz WTWMHPUWXYZUMM-LURJTMIESA-N 2 0 287.345 -1.556 20 0 CAADRP Cn1c(=O)cc(NC(=O)[C@H]([NH3+])C2CC[NH2+]CC2)[nH]c1=O ZINC001220424938 780347214 /nfs/dbraw/zinc/34/72/14/780347214.db2.gz ZJGNBRNNYMUCIZ-SNVBAGLBSA-N 2 0 281.316 -1.249 20 0 CAADRP C[S@](=O)CC[C@H]([NH3+])C(=O)NC[C@@H]1COCC[NH2+]1 ZINC001220429411 780347864 /nfs/dbraw/zinc/34/78/64/780347864.db2.gz RBMICCSTNZRHME-NMIRZEMHSA-N 2 0 263.363 -1.813 20 0 CAADRP O=C(NC[C@@H]1COCC[NH2+]1)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220428873 780347881 /nfs/dbraw/zinc/34/78/81/780347881.db2.gz GVDVCELVUDAGRI-ZJUUUORDSA-N 3 0 254.334 -2.100 20 0 CAADRP O=C(CNC1CC[NH2+]CC1)NC[C@@H]1COCC[NH2+]1 ZINC001220428833 780347922 /nfs/dbraw/zinc/34/79/22/780347922.db2.gz FWAFZMPDXDBXQA-LLVKDONJSA-N 2 0 256.350 -1.567 20 0 CAADRP O=C(NC[C@@H]1COCC[NH2+]1)[C@@]12C[NH2+]C[C@@H]1CCN2 ZINC001220429111 780347946 /nfs/dbraw/zinc/34/79/46/780347946.db2.gz LFTBEBJDQUUXPI-HOSYDEDBSA-N 2 0 254.334 -1.958 20 0 CAADRP O=C(NC[C@@H]1COCC[NH2+]1)[C@@H]1C[C@@H]2CC[NH2+]C[C@H]2O1 ZINC001220429493 780348014 /nfs/dbraw/zinc/34/80/14/780348014.db2.gz SNAUCDQJEDMXLD-WHOHXGKFSA-N 2 0 269.345 -1.142 20 0 CAADRP O=C(CNC1CC[NH2+]CC1)NC[C@H]1COCC[NH2+]1 ZINC001220428834 780348348 /nfs/dbraw/zinc/34/83/48/780348348.db2.gz FWAFZMPDXDBXQA-NSHDSACASA-N 2 0 256.350 -1.567 20 0 CAADRP O=C(NC[C@@H]1COCC[NH2+]1)[C@@]12C[NH2+]C[C@H]1CCN2 ZINC001220429109 780348436 /nfs/dbraw/zinc/34/84/36/780348436.db2.gz LFTBEBJDQUUXPI-CKYFFXLPSA-N 2 0 254.334 -1.958 20 0 CAADRP [NH3+]CCCC[C@H]([NH3+])CC(=O)NC[C@H]1COCC[NH2+]1 ZINC001220431754 780348681 /nfs/dbraw/zinc/34/86/81/780348681.db2.gz OZBFVTMYURXPJA-QWRGUYRKSA-N 3 0 258.366 -1.063 20 0 CAADRP O=C(NC[C@H]1COCC[NH2+]1)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001220429268 780348777 /nfs/dbraw/zinc/34/87/77/780348777.db2.gz OMJCFNBVJMPBBI-NWDGAFQWSA-N 3 0 282.388 -1.035 20 0 CAADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)NCC(=O)CCO ZINC001220449195 780349438 /nfs/dbraw/zinc/34/94/38/780349438.db2.gz OESFUBZEZLBLPA-NSHDSACASA-N 2 0 272.349 -2.196 20 0 CAADRP O=C(N[C@H](CO)C(F)(F)F)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220447527 780350173 /nfs/dbraw/zinc/35/01/73/780350173.db2.gz LKGDYZUGXDJSIX-RNFRBKRXSA-N 2 0 267.251 -1.165 20 0 CAADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)NCC(=O)CCO ZINC001220449194 780350186 /nfs/dbraw/zinc/35/01/86/780350186.db2.gz OESFUBZEZLBLPA-LLVKDONJSA-N 2 0 272.349 -2.196 20 0 CAADRP CC(C)(C)OC(=O)[C@H](CO)NC(=O)[C@@H]([NH3+])CCC[NH3+] ZINC001220478045 780351060 /nfs/dbraw/zinc/35/10/60/780351060.db2.gz XRJYNJNMZFWVTB-IUCAKERBSA-N 2 0 275.349 -1.129 20 0 CAADRP O=C(Nc1[nH]c(=O)nc2nc[nH]c21)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220471359 780351166 /nfs/dbraw/zinc/35/11/66/780351166.db2.gz KDORUAHQINYRNH-LURJTMIESA-N 2 0 289.299 -1.194 20 0 CAADRP CC(C)(C)OC(=O)[C@H](CO)NC(=O)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220479309 780351329 /nfs/dbraw/zinc/35/13/29/780351329.db2.gz GVEGBEMNNQNTRK-ZJUUUORDSA-N 2 0 299.371 -1.386 20 0 CAADRP CC(C)(C)OC(=O)[C@H](CO)NC(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220479308 780351470 /nfs/dbraw/zinc/35/14/70/780351470.db2.gz GVEGBEMNNQNTRK-UWVGGRQHSA-N 2 0 299.371 -1.386 20 0 CAADRP CC(C)[C@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)[C@@H]([NH3+])CCC[NH3+])O1 ZINC001220481229 780351592 /nfs/dbraw/zinc/35/15/92/780351592.db2.gz AFXSOQSHRONHMD-WGBDABJCSA-N 3 0 288.392 -1.106 20 0 CAADRP CC(C)[C@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)[C@H]2C[C@@H](O)C[NH2+]2)O1 ZINC001220481247 780351670 /nfs/dbraw/zinc/35/16/70/780351670.db2.gz ANWAINGWCFSCNN-CJJWORHMSA-N 2 0 287.360 -1.450 20 0 CAADRP CC(C)[C@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)[C@@H]2C[C@H](O)C[NH2+]2)O1 ZINC001220481248 780351952 /nfs/dbraw/zinc/35/19/52/780351952.db2.gz ANWAINGWCFSCNN-ONYIWYLUSA-N 2 0 287.360 -1.450 20 0 CAADRP O=C(Nc1[nH]c(=O)nc2nc[nH]c21)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220471360 780352155 /nfs/dbraw/zinc/35/21/55/780352155.db2.gz KDORUAHQINYRNH-ZCFIWIBFSA-N 2 0 289.299 -1.194 20 0 CAADRP O=C(N1C[C@H](O)C[C@@H]1CO)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001220481841 780352871 /nfs/dbraw/zinc/35/28/71/780352871.db2.gz SUFAMIJOSSZINN-PRULPYPASA-N 2 0 269.345 -1.860 20 0 CAADRP CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)[C@@H](N)C[NH3+])O1 ZINC001220481903 780352893 /nfs/dbraw/zinc/35/28/93/780352893.db2.gz VNQFEIWNOUXQGJ-YSSBGUOXSA-N 2 0 260.338 -1.887 20 0 CAADRP CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)CNCC[NH3+])O1 ZINC001220481476 780353056 /nfs/dbraw/zinc/35/30/56/780353056.db2.gz IXSNERCMIFHECO-CKYFFXLPSA-N 2 0 274.365 -1.624 20 0 CAADRP CC(C)[C@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)C[C@H](O)C[NH3+])O1 ZINC001220481499 780353075 /nfs/dbraw/zinc/35/30/75/780353075.db2.gz JGGJRWGTQJONBL-XNDJQWLSSA-N 2 0 275.349 -1.463 20 0 CAADRP CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)[C@H]2C[NH2+]C[C@@H]2N)O1 ZINC001220482078 780353247 /nfs/dbraw/zinc/35/32/47/780353247.db2.gz ZYVADGLHNINEEL-ZTVLKNOQSA-N 2 0 286.376 -1.626 20 0 CAADRP CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)[C@]2(N)CC[NH2+]C2)O1 ZINC001220482076 780353317 /nfs/dbraw/zinc/35/33/17/780353317.db2.gz ZUJKDTYPWOATQS-UZWSLXQKSA-N 2 0 286.376 -1.482 20 0 CAADRP CC(C)[C@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)[C@H]2[NH2+]CC[C@H]2O)O1 ZINC001220481974 780353434 /nfs/dbraw/zinc/35/34/34/780353434.db2.gz XIUITIMOBFFOPK-YFVNTRNASA-N 2 0 287.360 -1.450 20 0 CAADRP CN(CC[NH3+])CCNC(=O)[C@@H]([NH3+])CC[S@](C)=O ZINC001220517786 780353688 /nfs/dbraw/zinc/35/36/88/780353688.db2.gz ZUTCZMCUEYJEPX-XYZCENFISA-N 2 0 264.395 -1.911 20 0 CAADRP [NH3+]C1(CNC(=O)[C@@H]2COC3(C[NH2+]C3)CN2)CCCC1 ZINC001220494263 780355956 /nfs/dbraw/zinc/35/59/56/780355956.db2.gz IBJXOSXVKRDIBN-JTQLQIEISA-N 2 0 268.361 -1.296 20 0 CAADRP Cc1[nH][nH]c(=O)c1CCNC(=O)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220492348 780355995 /nfs/dbraw/zinc/35/59/95/780355995.db2.gz LCSRLWNTQCMDBT-SNVBAGLBSA-N 2 0 279.344 -1.109 20 0 CAADRP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)NCC1([NH3+])CCCC1 ZINC001220497426 780356013 /nfs/dbraw/zinc/35/60/13/780356013.db2.gz XBASVRYVNZRETD-IUCAKERBSA-N 2 0 299.375 -1.919 20 0 CAADRP COC(C)(CNC(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1)OC ZINC001220508937 780356509 /nfs/dbraw/zinc/35/65/09/780356509.db2.gz DHTUBSGZIAZSQS-NSHDSACASA-N 2 0 288.392 -1.138 20 0 CAADRP CN(CC[NH3+])CCNC(=O)[C@]12C[NH2+]C[C@H]1CCN2 ZINC001220515957 780356588 /nfs/dbraw/zinc/35/65/88/780356588.db2.gz MSNOYWSZQNOVRR-PWSUYJOCSA-N 2 0 255.366 -2.055 20 0 CAADRP CN(CC[NH3+])CCNC(=O)CN(CC[NH3+])S(C)(=O)=O ZINC001220517304 780356878 /nfs/dbraw/zinc/35/68/78/780356878.db2.gz GDKUDSZKZHFURK-UHFFFAOYSA-N 2 0 295.409 -2.787 20 0 CAADRP C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)NC[C@H]([NH3+])c1ccccc1 ZINC001220503895 780356643 /nfs/dbraw/zinc/35/66/43/780356643.db2.gz MZWFAQWHEYXHJC-DLOVCJGASA-N 2 0 294.355 -1.373 20 0 CAADRP CN(CC[NH3+])CCNC(=O)CN1CCCC[C@H]([NH3+])C1=O ZINC001220517214 780356714 /nfs/dbraw/zinc/35/67/14/780356714.db2.gz AROQCJOBLQMCGO-NSHDSACASA-N 2 0 285.392 -1.667 20 0 CAADRP C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC001220503896 780356766 /nfs/dbraw/zinc/35/67/66/780356766.db2.gz MZWFAQWHEYXHJC-WCQGTBRESA-N 2 0 294.355 -1.373 20 0 CAADRP [NH3+]CCOCCOCCNC(=O)[C@H]([NH3+])Cc1cnc[nH]1 ZINC001220517437 780356987 /nfs/dbraw/zinc/35/69/87/780356987.db2.gz LQYMNKFLXKOXPG-LLVKDONJSA-N 2 0 285.348 -1.612 20 0 CAADRP COC(=O)c1ncc(=O)[nH]c1NC(=O)[C@@H]([NH3+])CCC[NH3+] ZINC001220514495 780357030 /nfs/dbraw/zinc/35/70/30/780357030.db2.gz NDAWPKKKBLJJJE-LURJTMIESA-N 2 0 283.288 -1.027 20 0 CAADRP CN(CC[NH3+])CCNC(=O)[C@@H]([NH3+])Cc1cncn1C ZINC001220516220 780357233 /nfs/dbraw/zinc/35/72/33/780357233.db2.gz SJHFTOWDRSFMMB-NSHDSACASA-N 2 0 268.365 -1.703 20 0 CAADRP CN(CC[NH3+])CCNC(=O)[C@@]12CC[C@@H](N1)[C@H]([NH3+])C2 ZINC001220515391 780357906 /nfs/dbraw/zinc/35/79/06/780357906.db2.gz AIBRMJXNDLRSAB-FOGDFJRCSA-N 2 0 255.366 -1.785 20 0 CAADRP CN(CC[NH3+])CCNC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1 ZINC001220516605 780358021 /nfs/dbraw/zinc/35/80/21/780358021.db2.gz ZZMRTSUOWILPTL-GARJFASQSA-N 2 0 255.366 -2.057 20 0 CAADRP Cn1cncc1C[C@H]([NH3+])C(=O)NCCOCCOCC[NH3+] ZINC001220519289 780358363 /nfs/dbraw/zinc/35/83/63/780358363.db2.gz JAUBQPSMGDUXCK-LBPRGKRZSA-N 2 0 299.375 -1.602 20 0 CAADRP CN(CC[NH3+])CCNC(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001220517692 780358412 /nfs/dbraw/zinc/35/84/12/780358412.db2.gz WFBLXXAJFZJFFP-GFCCVEGCSA-N 3 0 286.424 -2.257 20 0 CAADRP [NH3+]CCOCCOCCNC(=O)[C@@H]1C[NH2+]CCN1 ZINC001220519682 780358635 /nfs/dbraw/zinc/35/86/35/780358635.db2.gz XSKXYQHBSNGYPC-JTQLQIEISA-N 2 0 260.338 -2.344 20 0 CAADRP [NH3+]CCOCCOCCNC(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220519181 780358667 /nfs/dbraw/zinc/35/86/67/780358667.db2.gz FLCCXSLRDLGWCY-NSHDSACASA-N 3 0 286.376 -2.097 20 0 CAADRP CN(CC[NH3+])CCNC(=O)[C@@H]([NH3+])C1CC[NH2+]CC1 ZINC001220517696 780358787 /nfs/dbraw/zinc/35/87/87/780358787.db2.gz WHGQDDDVDYPQFK-NSHDSACASA-N 3 0 257.382 -1.680 20 0 CAADRP CCOC(=O)C1=C(NC(=O)[C@]2(N)CC[NH2+]C2)CC[NH2+]C1 ZINC001220523599 780358916 /nfs/dbraw/zinc/35/89/16/780358916.db2.gz RXVCHKRRLZRADG-ZDUSSCGKSA-N 2 0 282.344 -1.396 20 0 CAADRP [NH3+]CCC[C@@H]([NH3+])C(=O)NCCOCCOCC[NH3+] ZINC001220519400 780359022 /nfs/dbraw/zinc/35/90/22/780359022.db2.gz MYNDACZMKJCSFD-SNVBAGLBSA-N 3 0 262.354 -1.839 20 0 CAADRP CCOC(=O)C1=C(NC(=O)[C@H]2C[NH2+]CCN2)CC[NH2+]C1 ZINC001220524008 780359190 /nfs/dbraw/zinc/35/91/90/780359190.db2.gz WJOIUTWDMHVECC-LLVKDONJSA-N 2 0 282.344 -1.526 20 0 CAADRP CCOC(=O)C1=C(NC(=O)CNCC[NH3+])CC[NH2+]C1 ZINC001220523951 780359261 /nfs/dbraw/zinc/35/92/61/780359261.db2.gz VTPPXZSVGOZTEP-UHFFFAOYSA-N 2 0 270.333 -1.539 20 0 CAADRP [NH3+]CCOCCOCCNC(=O)[C@]12C[NH2+]C[C@@H]1CCN2 ZINC001220519226 780359271 /nfs/dbraw/zinc/35/92/71/780359271.db2.gz HDCACHJBLIDBDV-AAEUAGOBSA-N 2 0 286.376 -1.954 20 0 CAADRP CCOC(=O)C1=C(NC(=O)[C@@]2(N)CCC[NH2+]C2)CC[NH2+]C1 ZINC001220522651 780359379 /nfs/dbraw/zinc/35/93/79/780359379.db2.gz CITGFFLONJMDAW-CQSZACIVSA-N 2 0 296.371 -1.006 20 0 CAADRP N[C@]1(C(=O)NCCOCCOCC[NH3+])CCC[NH2+]C1 ZINC001220519175 780359447 /nfs/dbraw/zinc/35/94/47/780359447.db2.gz FEHNJDYHFIRWLI-GFCCVEGCSA-N 2 0 274.365 -1.825 20 0 CAADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)NCCOCCOCC[NH3+] ZINC001220519680 780359459 /nfs/dbraw/zinc/35/94/59/780359459.db2.gz XOUZEOHHPDJWDH-LBPRGKRZSA-N 3 0 290.408 -1.189 20 0 CAADRP CN(CC[NH3+])CCNC(=O)[C@@H]1CCCN1C(=O)C[NH3+] ZINC001220517580 780359575 /nfs/dbraw/zinc/35/95/75/780359575.db2.gz RKTKSWQOEPHZFD-JTQLQIEISA-N 2 0 271.365 -2.057 20 0 CAADRP N[C@@]1(C(=O)NCCOCCOCC[NH3+])CCC[NH2+]C1 ZINC001220519176 780359640 /nfs/dbraw/zinc/35/96/40/780359640.db2.gz FEHNJDYHFIRWLI-LBPRGKRZSA-N 2 0 274.365 -1.825 20 0 CAADRP [NH3+]CCOCCOCCNC(=O)C[C@@H]1COCC[NH2+]1 ZINC001220519628 780359778 /nfs/dbraw/zinc/35/97/78/780359778.db2.gz VOLBYRYTTQRNSJ-LLVKDONJSA-N 2 0 275.349 -1.527 20 0 CAADRP CCOC(=O)C1=C(NC(=O)[C@@H]2C[C@@H]([NH3+])CN2)CC[NH2+]C1 ZINC001220523602 780359798 /nfs/dbraw/zinc/35/97/98/780359798.db2.gz RZDQRFJQKGGRJV-KCJUWKMLSA-N 2 0 282.344 -1.398 20 0 CAADRP CCOC(=O)C1=C(NC(=O)[C@@H](N)C[NH3+])CC[NH2+]C1 ZINC001220521474 780359990 /nfs/dbraw/zinc/35/99/90/780359990.db2.gz HENZJSNRSQVXFS-QMMMGPOBSA-N 2 0 256.306 -1.801 20 0 CAADRP NC(=[NH2+])NCCCCC(=O)NCCOCCOCC[NH3+] ZINC001220519637 780360041 /nfs/dbraw/zinc/36/00/41/780360041.db2.gz VVQKHKOQVFAWHM-UHFFFAOYSA-N 2 0 289.380 -1.252 20 0 CAADRP [NH3+]CCOCCOCCNC(=O)CNC1CC[NH2+]CC1 ZINC001220519232 780360098 /nfs/dbraw/zinc/36/00/98/780360098.db2.gz HHRAMDMQWWULEF-UHFFFAOYSA-N 2 0 288.392 -1.564 20 0 CAADRP [NH3+]CCOCCOCCNC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC001220519660 780360151 /nfs/dbraw/zinc/36/01/51/780360151.db2.gz WVCGFSLVEUCJMS-URLYPYJESA-N 2 0 257.334 -1.440 20 0 CAADRP CCOC(=O)C1=C(NC(=O)[C@@H]([NH3+])CCC[NH3+])CC[NH2+]C1 ZINC001220521875 780360182 /nfs/dbraw/zinc/36/01/82/780360182.db2.gz RMACNBYTTOEEGR-JTQLQIEISA-N 3 0 284.360 -1.021 20 0 CAADRP [NH3+]CCSC[C@H]([NH3+])C(=O)NCCN1CC2(COC2)C1 ZINC001220570912 780362605 /nfs/dbraw/zinc/36/26/05/780362605.db2.gz DDNVQYPGDSWARZ-JTQLQIEISA-N 2 0 288.417 -1.546 20 0 CAADRP O=C(NCCN1CC2(COC2)C1)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220571607 780363787 /nfs/dbraw/zinc/36/37/87/780363787.db2.gz VHBWXBLRADSVLK-NSHDSACASA-N 2 0 280.372 -1.756 20 0 CAADRP [NH3+]CCCC[C@H]([NH3+])C(=O)NCCN1CC2(COC2)C1 ZINC001220571051 780364194 /nfs/dbraw/zinc/36/41/94/780364194.db2.gz HNERRHHUZLBDGQ-NSHDSACASA-N 2 0 270.377 -1.109 20 0 CAADRP COC(=O)CNC(=O)CNC(=O)C[C@@H]([NH3+])CCCC[NH3+] ZINC001220575743 780365320 /nfs/dbraw/zinc/36/53/20/780365320.db2.gz KGYAIMZGJUQHHJ-VIFPVBQESA-N 2 0 288.348 -1.762 20 0 CAADRP CCOC(=O)CN(CC[NH3+])C(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220583722 780367189 /nfs/dbraw/zinc/36/71/89/780367189.db2.gz VYVFQTUZOROGOL-JTQLQIEISA-N 3 0 284.360 -1.854 20 0 CAADRP COC(=O)CNC(=O)CNC(=O)[C@@H]([NH3+])CSCC[NH3+] ZINC001220576362 780367699 /nfs/dbraw/zinc/36/76/99/780367699.db2.gz YLLAGDYAZBADJT-ZETCQYMHSA-N 2 0 292.361 -2.589 20 0 CAADRP CCOC(=O)CN(CC[NH3+])C(=O)[C@H]1C[C@@H](O)C[NH2+]1 ZINC001220583645 780367826 /nfs/dbraw/zinc/36/78/26/780367826.db2.gz SHPXAOJFVNTMBY-RKDXNWHRSA-N 2 0 259.306 -1.940 20 0 CAADRP CCOC(=O)CN(CC[NH3+])C(=O)[C@@]1(N)CCC[NH2+]C1 ZINC001220583268 780367904 /nfs/dbraw/zinc/36/79/04/780367904.db2.gz HPRMHVGSGXNHRP-GFCCVEGCSA-N 2 0 272.349 -1.582 20 0 CAADRP CCOC(=O)CN(CC[NH3+])C(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1 ZINC001220583738 780368032 /nfs/dbraw/zinc/36/80/32/780368032.db2.gz WQHIUUXZEFWRBL-GARJFASQSA-N 2 0 284.360 -1.713 20 0 CAADRP CCOC(=O)CN(CC[NH3+])C(=O)[C@H]1[NH2+]CC[C@@H]1O ZINC001220585359 780368169 /nfs/dbraw/zinc/36/81/69/780368169.db2.gz IKHDSQMEJOEHHG-WPRPVWTQSA-N 2 0 259.306 -1.940 20 0 CAADRP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](CCCO)C[C@@H]1O ZINC001220584975 780368337 /nfs/dbraw/zinc/36/83/37/780368337.db2.gz RFCFCGVCOPDLER-NEPJUHHUSA-N 2 0 273.377 -1.128 20 0 CAADRP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](CCO)C[C@@H]1O ZINC001220584765 780368395 /nfs/dbraw/zinc/36/83/95/780368395.db2.gz IVAJCFIBIDTVOF-MNOVXSKESA-N 2 0 259.350 -1.518 20 0 CAADRP CCOC(=O)CN(CC[NH3+])C(=O)[C@]1(N)CCC[NH2+]C1 ZINC001220583269 780368664 /nfs/dbraw/zinc/36/86/64/780368664.db2.gz HPRMHVGSGXNHRP-LBPRGKRZSA-N 2 0 272.349 -1.582 20 0 CAADRP CCOC(=O)CN(CC[NH3+])C(=O)[C@@H]([NH3+])C1CC[NH2+]CC1 ZINC001220583800 780368675 /nfs/dbraw/zinc/36/86/75/780368675.db2.gz ZGEVCRXZLQBAQP-LBPRGKRZSA-N 3 0 286.376 -1.336 20 0 CAADRP CC(=O)N1CC(NC(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)C1 ZINC001220598889 780369065 /nfs/dbraw/zinc/36/90/65/780369065.db2.gz GPIDFIMYLBROIL-GFCCVEGCSA-N 2 0 283.376 -1.916 20 0 CAADRP CC(=O)N1CC(NC(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)C1 ZINC001220596690 780369270 /nfs/dbraw/zinc/36/92/70/780369270.db2.gz FPOGRWZMINMXJT-SNVBAGLBSA-N 2 0 252.318 -1.858 20 0 CAADRP CC(=O)N1CC(NC(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)C1 ZINC001220596879 780369676 /nfs/dbraw/zinc/36/96/76/780369676.db2.gz LTMFFMCELNLFRE-ZWNOBZJWSA-N 2 0 266.345 -1.468 20 0 CAADRP CC(=O)N1CC(NC(=O)[C@H]([NH3+])C2CC[NH2+]CC2)C1 ZINC001220598760 780369846 /nfs/dbraw/zinc/36/98/46/780369846.db2.gz BYEGDTRBZYOUGT-LLVKDONJSA-N 2 0 254.334 -1.340 20 0 CAADRP CN1CCC[C@H](NC(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)C1=O ZINC001220590647 780369997 /nfs/dbraw/zinc/36/99/97/780369997.db2.gz PQDMPNDJSYTFJG-ZJUUUORDSA-N 2 0 266.345 -1.468 20 0 CAADRP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@H](C)O)C[C@@H]1O ZINC001220688549 780373706 /nfs/dbraw/zinc/37/37/06/780373706.db2.gz JTSLWWLBVPYMQU-TUAOUCFPSA-N 2 0 273.377 -1.130 20 0 CAADRP C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N[C@H]1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC001220680562 780373821 /nfs/dbraw/zinc/37/38/21/780373821.db2.gz IMPDDOHNDPSCPT-HGCLJGPKSA-N 2 0 298.387 -1.400 20 0 CAADRP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@@H](C)O)C[C@@H]1O ZINC001220688550 780373832 /nfs/dbraw/zinc/37/38/32/780373832.db2.gz JTSLWWLBVPYMQU-UTUOFQBUSA-N 2 0 273.377 -1.130 20 0 CAADRP C[C@H]1COCCN1CCNC(=O)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220725432 780375827 /nfs/dbraw/zinc/37/58/27/780375827.db2.gz RLVRFFZLGOJVCH-NWDGAFQWSA-N 2 0 282.388 -1.368 20 0 CAADRP [NH3+]Cc1ncccc1NC(=O)[C@H]1COC2(C[NH2+]C2)CN1 ZINC001220711917 780375893 /nfs/dbraw/zinc/37/58/93/780375893.db2.gz UKWXNKXKIJDZAJ-LLVKDONJSA-N 2 0 277.328 -1.191 20 0 CAADRP C[C@@H]1COCCN1CCNC(=O)[C@@H]([NH3+])CCC[NH3+] ZINC001220725628 780376815 /nfs/dbraw/zinc/37/68/15/780376815.db2.gz VWESYTARIZFCFP-MNOVXSKESA-N 2 0 258.366 -1.111 20 0 CAADRP CC(=O)NC[C@H](C)CNC(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001220756978 780378386 /nfs/dbraw/zinc/37/83/86/780378386.db2.gz PJIXMYBVIBSCIU-GWCFXTLKSA-N 2 0 299.419 -1.375 20 0 CAADRP CC(=O)NC[C@@H](C)CNC(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220756943 780378501 /nfs/dbraw/zinc/37/85/01/780378501.db2.gz OQARQHCSVWMYHU-KOLCDFICSA-N 2 0 268.361 -1.316 20 0 CAADRP CC(=O)NC[C@@H](C)CNC(=O)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220756944 780379316 /nfs/dbraw/zinc/37/93/16/780379316.db2.gz OQARQHCSVWMYHU-MWLCHTKSSA-N 2 0 268.361 -1.316 20 0 CAADRP COCC[N@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001220764541 780379969 /nfs/dbraw/zinc/37/99/69/780379969.db2.gz OFSIYRVJCHLRSZ-NEPJUHHUSA-N 2 0 289.376 -1.628 20 0 CAADRP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@H+](CCCO)C[C@@H]1O ZINC001220764795 780380445 /nfs/dbraw/zinc/38/04/45/780380445.db2.gz WRCHIMTWEUMPHT-NEPJUHHUSA-N 2 0 289.376 -1.892 20 0 CAADRP COC(=O)[C@H](Cc1cncn1C)NC(=O)[C@@H]([NH3+])CCC[NH3+] ZINC001220768759 780380486 /nfs/dbraw/zinc/38/04/86/780380486.db2.gz ANZGZRDNECTVIG-QWRGUYRKSA-N 2 0 297.359 -1.313 20 0 CAADRP COC(=O)[C@H](Cc1cncn1C)NC(=O)[C@H]([NH3+])CCC[NH3+] ZINC001220768758 780380619 /nfs/dbraw/zinc/38/06/19/780380619.db2.gz ANZGZRDNECTVIG-MNOVXSKESA-N 2 0 297.359 -1.313 20 0 CAADRP CCOC(=O)C1=C(NC(=O)[C@@H]([NH3+])C(C)(C)O)C[NH2+]C1 ZINC001220826959 780382257 /nfs/dbraw/zinc/38/22/57/780382257.db2.gz DFFPRCSHCLVFBL-SECBINFHSA-N 2 0 271.317 -1.379 20 0 CAADRP CCOC(=O)C1=C(NC(=O)[C@@]2(C)CC[NH2+]C[C@H]2O)C[NH2+]C1 ZINC001220827002 780382515 /nfs/dbraw/zinc/38/25/15/780382515.db2.gz DYBKBHZIQFFFDP-RISCZKNCSA-N 2 0 297.355 -1.117 20 0 CAADRP CCOC(=O)C1=C(NC(=O)[C@@]23C[NH2+][C@@H](CO2)C3)C[NH2+]C1 ZINC001220827438 780382744 /nfs/dbraw/zinc/38/27/44/780382744.db2.gz NBDLFNZHAXKZNS-AMIZOPFISA-N 2 0 281.312 -1.346 20 0 CAADRP CCOC(=O)C1=C(NC(=O)[C@H]([NH3+])CCC(=O)OC)C[NH2+]C1 ZINC001220826924 780382813 /nfs/dbraw/zinc/38/28/13/780382813.db2.gz BTIISMLBWLTXRB-SECBINFHSA-N 2 0 299.327 -1.197 20 0 CAADRP CCOC(=O)C1=C(NC(=O)[C@H]([NH3+])CCC[NH3+])C[NH2+]C1 ZINC001220827712 780383948 /nfs/dbraw/zinc/38/39/48/780383948.db2.gz YXTPZVRZQMDBKD-SECBINFHSA-N 3 0 270.333 -1.411 20 0 CAADRP CCOC(=O)C1=C(NC(=O)[C@]2(N)CC[NH2+]C2)C[NH2+]C1 ZINC001220829882 780384125 /nfs/dbraw/zinc/38/41/25/780384125.db2.gz CYSDXIJRVHGMCG-LBPRGKRZSA-N 2 0 268.317 -1.786 20 0 CAADRP CCOC(=O)C1=C(NC(=O)[C@H]2[NH2+]CC[C@@H]2O)C[NH2+]C1 ZINC001220830174 780384266 /nfs/dbraw/zinc/38/42/66/780384266.db2.gz QKTJOMYKWSMVNA-UWVGGRQHSA-N 2 0 269.301 -1.754 20 0 CAADRP CCOC(=O)C1=C(NC(=O)CN2CC[NH2+]CC2)C[NH2+]C1 ZINC001220828469 780384286 /nfs/dbraw/zinc/38/42/86/780384286.db2.gz NNBZCZGIVVLDRG-UHFFFAOYSA-N 2 0 282.344 -1.572 20 0 CAADRP CCOC(=O)C1=C(NC(=O)C2(N)CC[NH2+]CC2)C[NH2+]C1 ZINC001220829098 780384553 /nfs/dbraw/zinc/38/45/53/780384553.db2.gz XMXFLJVGVVIXGA-UHFFFAOYSA-N 2 0 282.344 -1.396 20 0 CAADRP CCOC(=O)C1=C(NC(=O)[C@@]2(N)CC[NH2+]C2)C[NH2+]C1 ZINC001220829881 780384652 /nfs/dbraw/zinc/38/46/52/780384652.db2.gz CYSDXIJRVHGMCG-GFCCVEGCSA-N 2 0 268.317 -1.786 20 0 CAADRP CCOC(=O)C1=C(NC(=O)[C@H]2C[NH2+]CCN2)C[NH2+]C1 ZINC001220828461 780384769 /nfs/dbraw/zinc/38/47/69/780384769.db2.gz MXWGXCFZPRCSMI-SNVBAGLBSA-N 2 0 268.317 -1.916 20 0 CAADRP CCOC(=O)C1=C(NC(=O)[C@@H](N)CC[NH3+])C[NH2+]C1 ZINC001220827914 780384860 /nfs/dbraw/zinc/38/48/60/780384860.db2.gz CNBCQZDYHJRKLW-QMMMGPOBSA-N 2 0 256.306 -1.801 20 0 CAADRP CCOC(=O)C1=C(NC(=O)[C@@H]2C[C@H](O)C[NH2+]2)C[NH2+]C1 ZINC001220828139 780384900 /nfs/dbraw/zinc/38/49/00/780384900.db2.gz IZZHDACXRXWTMA-CBAPKCEASA-N 2 0 269.301 -1.754 20 0 CAADRP CCOC(=O)C1=C(NC(=O)C[C@H]2C[NH2+]CCO2)C[NH2+]C1 ZINC001220829053 780385046 /nfs/dbraw/zinc/38/50/46/780385046.db2.gz WPLADRMIJBKMEQ-VIFPVBQESA-N 2 0 283.328 -1.099 20 0 CAADRP CCOC(=O)C1(NC(=O)[C@@H]2C[NH2+]C[C@@H]2O)C[NH2+]C1 ZINC001220851007 780385847 /nfs/dbraw/zinc/38/58/47/780385847.db2.gz CZFMJKGGLHZAQV-SFYZADRCSA-N 2 0 257.290 -2.412 20 0 CAADRP CCOC(=O)C1(NC(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)C[NH2+]C1 ZINC001220850926 780386024 /nfs/dbraw/zinc/38/60/24/780386024.db2.gz AONYLXZJFALNKV-BRPSZJMVSA-N 2 0 253.302 -1.527 20 0 CAADRP CCOC(=O)C1(NC(=O)[C@@H]([NH3+])C2CCC(O)CC2)C[NH2+]C1 ZINC001220850976 780386212 /nfs/dbraw/zinc/38/62/12/780386212.db2.gz CDGNNDVMROFKCC-ILDUYXDCSA-N 2 0 299.371 -1.114 20 0 CAADRP CCOC(=O)C1(NC(=O)[C@H]2C[NH2+]C[C@@H]2O)C[NH2+]C1 ZINC001220851008 780386423 /nfs/dbraw/zinc/38/64/23/780386423.db2.gz CZFMJKGGLHZAQV-YUMQZZPRSA-N 2 0 257.290 -2.412 20 0 CAADRP CCOC(=O)C1(NC(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)C[NH2+]C1 ZINC001220851065 780386652 /nfs/dbraw/zinc/38/66/52/780386652.db2.gz GATHLFCQZMQQRZ-VIFPVBQESA-N 3 0 282.344 -2.183 20 0 CAADRP CCOC(=O)C1(NC(=O)[C@]23C[NH2+]C[C@H]2COC3)C[NH2+]C1 ZINC001220851456 780387684 /nfs/dbraw/zinc/38/76/84/780387684.db2.gz WLRAXYJWJFTFHV-CABZTGNLSA-N 2 0 283.328 -1.756 20 0 CAADRP CCOC(=O)C1(NC(=O)[C@H]2COC3(C[NH2+]C3)CN2)C[NH2+]C1 ZINC001220851087 780388030 /nfs/dbraw/zinc/38/80/30/780388030.db2.gz HCXZSTHHBLIOTG-SECBINFHSA-N 2 0 298.343 -2.662 20 0 CAADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)NCCN1CCNCC1=O ZINC001220871880 780388481 /nfs/dbraw/zinc/38/84/81/780388481.db2.gz BDIKORYDEAJMML-NSHDSACASA-N 2 0 285.392 -1.749 20 0 CAADRP CCOC(=O)C1(NC(=O)C[C@H]2COCC[NH2+]2)C[NH2+]C1 ZINC001220851178 780388562 /nfs/dbraw/zinc/38/85/62/780388562.db2.gz LARNUPHDLDTDCM-VIFPVBQESA-N 2 0 271.317 -1.614 20 0 CAADRP CCOC(=O)C1(NC(=O)[C@H]2CC[NH2+]C[C@H]2F)C[NH2+]C1 ZINC001220853034 780388945 /nfs/dbraw/zinc/38/89/45/780388945.db2.gz IPJFIWSAYVWYGK-DTWKUNHWSA-N 2 0 273.308 -1.045 20 0 CAADRP CCOC(=O)C1(NC(=O)[C@@]2(N)CC[NH2+]C2)C[NH2+]C1 ZINC001220851535 780389015 /nfs/dbraw/zinc/38/90/15/780389015.db2.gz ZOGOPRFDJNSOLS-SNVBAGLBSA-N 2 0 256.306 -2.302 20 0 CAADRP CCOC(=O)C1(NC(=O)[C@]2(N)CCC[NH2+]C2)C[NH2+]C1 ZINC001220851528 780389137 /nfs/dbraw/zinc/38/91/37/780389137.db2.gz ZDBNVBVBELBFPW-NSHDSACASA-N 2 0 270.333 -1.911 20 0 CAADRP C[C@@H]1CCC[NH2+][C@@H]1C(=O)NCCN1CCNCC1=O ZINC001220872008 780389267 /nfs/dbraw/zinc/38/92/67/780389267.db2.gz GTFXYGPOWGNGFH-PWSUYJOCSA-N 2 0 268.361 -1.078 20 0 CAADRP CCOC(=O)C1(NC(=O)[C@@H]2CCCN2C(=O)C[NH3+])C[NH2+]C1 ZINC001220851369 780389358 /nfs/dbraw/zinc/38/93/58/780389358.db2.gz TUGKGJJQXDWNCK-VIFPVBQESA-N 2 0 298.343 -2.043 20 0 CAADRP CCOC(=O)C1(NC(=O)[C@@H]([NH3+])CCC[NH3+])C[NH2+]C1 ZINC001220851467 780389426 /nfs/dbraw/zinc/38/94/26/780389426.db2.gz XBESAKLGHCFTQG-QMMMGPOBSA-N 3 0 258.322 -1.926 20 0 CAADRP CC(C)(C)[C@H](C[NH3+])NC(=O)[C@@H]1COC2(C[NH2+]C2)CN1 ZINC001220857450 780389486 /nfs/dbraw/zinc/38/94/86/780389486.db2.gz COIRYAUHYDDPFY-UWVGGRQHSA-N 2 0 270.377 -1.194 20 0 CAADRP [NH3+]CCSC[C@H]([NH3+])C(=O)NCCN1CCNCC1=O ZINC001220875126 780390470 /nfs/dbraw/zinc/39/04/70/780390470.db2.gz UEECBHUHEQWAIS-VIFPVBQESA-N 2 0 289.405 -2.446 20 0 CAADRP COC(=O)[C@@H]1C[C@@H]1CNC(=O)[C@@H]([NH3+])CSCC[NH3+] ZINC001220881289 780390671 /nfs/dbraw/zinc/39/06/71/780390671.db2.gz HPKCBZVWDKXPAD-HLTSFMKQSA-N 2 0 275.374 -1.069 20 0 CAADRP NC(=O)NCCC[C@@H]([NH3+])C(=O)N[C@H]1CCC[NH2+]C1 ZINC001220884768 780392170 /nfs/dbraw/zinc/39/21/70/780392170.db2.gz MOJYVTPDFYBZOA-DTWKUNHWSA-N 2 0 257.338 -1.370 20 0 CAADRP C[C@H](O)C[N@H+]1C[C@@H](NC(=O)CCc2cncn2C)[C@@H](O)C1 ZINC001220888414 780392426 /nfs/dbraw/zinc/39/24/26/780392426.db2.gz KQCLNDBBRSZVSD-UHTWSYAYSA-N 2 0 296.371 -1.105 20 0 CAADRP COC(=O)[C@@H]1C[C@H]1CNC(=O)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220881082 780392752 /nfs/dbraw/zinc/39/27/52/780392752.db2.gz CAEOEBBKILJMDQ-IVZWLZJFSA-N 2 0 267.329 -1.279 20 0 CAADRP COC(=O)[C@@H]1C[C@H]1CNC(=O)[C@@H]([NH3+])CSCC[NH3+] ZINC001220881291 780392937 /nfs/dbraw/zinc/39/29/37/780392937.db2.gz HPKCBZVWDKXPAD-YIZRAAEISA-N 2 0 275.374 -1.069 20 0 CAADRP COC(=O)[C@@H]1C[C@H]1CNC(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220881080 780393622 /nfs/dbraw/zinc/39/36/22/780393622.db2.gz CAEOEBBKILJMDQ-AEJSXWLSSA-N 2 0 267.329 -1.279 20 0 CAADRP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC001220889931 780394015 /nfs/dbraw/zinc/39/40/15/780394015.db2.gz QRRGBVNOLHKYTR-YIZRAAEISA-N 2 0 285.348 -2.438 20 0 CAADRP [NH3+]CCC[C@H]([NH3+])C(=O)NCCN(CC[NH3+])N(O)N=O ZINC001220900140 780394050 /nfs/dbraw/zinc/39/40/50/780394050.db2.gz BNKCFURDNFBVQP-QMMMGPOBSA-N 3 0 277.329 -2.283 20 0 CAADRP [NH3+]CCN(CCNC(=O)[C@@H]1C[NH2+]C[C@H]1O)N(O)N=O ZINC001220903023 780394163 /nfs/dbraw/zinc/39/41/63/780394163.db2.gz IXRIBFDFBUKVFC-HTQZYQBOSA-N 2 0 276.297 -2.769 20 0 CAADRP [NH3+]CCC[C@@H]([NH3+])C(=O)NCCN(CC[NH3+])N(O)N=O ZINC001220900139 780394604 /nfs/dbraw/zinc/39/46/04/780394604.db2.gz BNKCFURDNFBVQP-MRVPVSSYSA-N 3 0 277.329 -2.283 20 0 CAADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC001220889251 780394645 /nfs/dbraw/zinc/39/46/45/780394645.db2.gz GQXBGKZXFBUCBE-VXGBXAGGSA-N 3 0 269.393 -1.395 20 0 CAADRP [NH3+]CCN(CCNC(=O)C1CC[NH2+]CC1)N(O)N=O ZINC001220901252 780394667 /nfs/dbraw/zinc/39/46/67/780394667.db2.gz VRIXQPRJFPHXEK-UHFFFAOYSA-N 2 0 274.325 -1.350 20 0 CAADRP N[C@]1(C(=O)NCCN(CC[NH3+])N(O)N=O)CC[NH2+]C1 ZINC001220902853 780394678 /nfs/dbraw/zinc/39/46/78/780394678.db2.gz CYUZFBHZYVJALD-SECBINFHSA-N 2 0 275.313 -2.658 20 0 CAADRP CC(=O)OC[C@H]([NH3+])C(=O)NCCN(CC[NH3+])N(O)N=O ZINC001220900447 780394689 /nfs/dbraw/zinc/39/46/89/780394689.db2.gz KKTFJMLMHFZPSD-QMMMGPOBSA-N 2 0 292.296 -2.459 20 0 CAADRP [NH3+]CCN(CCNC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21)N(O)N=O ZINC001220900778 780394756 /nfs/dbraw/zinc/39/47/56/780394756.db2.gz PUHISCTZLLUVJO-BRPSZJMVSA-N 2 0 272.309 -1.884 20 0 CAADRP [NH3+]CCN(CCNC(=O)[C@@H]1CCC[C@H]1[NH3+])N(O)N=O ZINC001220900238 780394925 /nfs/dbraw/zinc/39/49/25/780394925.db2.gz FDFCDOUHPUVEIA-RKDXNWHRSA-N 2 0 274.325 -1.222 20 0 CAADRP [NH3+]CCN(CCNC(=O)[C@@H]1CC[NH2+]C[C@H]1F)N(O)N=O ZINC001220903744 780394933 /nfs/dbraw/zinc/39/49/33/780394933.db2.gz YVJXGVMFKAXXLR-RKDXNWHRSA-N 2 0 292.315 -1.402 20 0 CAADRP C[C@]1(C(=O)NCCN(CC[NH3+])N(O)N=O)CCC[NH2+]1 ZINC001220902940 780395047 /nfs/dbraw/zinc/39/50/47/780395047.db2.gz GARVMEFDGVEOGK-SNVBAGLBSA-N 2 0 274.325 -1.207 20 0 CAADRP C[C@@]1(C(=O)NCCN(CC[NH3+])N(O)N=O)CC[NH2+]C1 ZINC001220902895 780395055 /nfs/dbraw/zinc/39/50/55/780395055.db2.gz DXRQQLNVMGTWTE-SNVBAGLBSA-N 2 0 274.325 -1.350 20 0 CAADRP [NH3+]CCN(CCNC(=O)[C@H]1CC[C@@H]1[NH3+])N(O)N=O ZINC001220900746 780395124 /nfs/dbraw/zinc/39/51/24/780395124.db2.gz PBDDIYNNJOBSPE-YUMQZZPRSA-N 2 0 260.298 -1.612 20 0 CAADRP O=C(NCCO[C@H]1CC[NH2+]C1)[C@@H]1COC2(C[NH2+]C2)CN1 ZINC001220936477 780395570 /nfs/dbraw/zinc/39/55/70/780395570.db2.gz FYQJOISTHLBSFW-QWRGUYRKSA-N 2 0 284.360 -2.189 20 0 CAADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)NCCO[C@H]1CC[NH2+]C1 ZINC001220936534 780395592 /nfs/dbraw/zinc/39/55/92/780395592.db2.gz GUZDFJHNWUJOBR-QWHCGFSZSA-N 3 0 299.419 -1.769 20 0 CAADRP N[C@@H](C[NH3+])C(=O)N(C1COC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001220930122 780395863 /nfs/dbraw/zinc/39/58/63/780395863.db2.gz MEGOJQQLYQZKIT-QXEWZRGKSA-N 2 0 256.350 -1.230 20 0 CAADRP CC(=O)OC[C@H]([NH3+])C(=O)NCCO[C@@H]1CC[NH2+]C1 ZINC001220936364 780395885 /nfs/dbraw/zinc/39/58/85/780395885.db2.gz FKNFRLCDDLKHPF-ZJUUUORDSA-N 2 0 259.306 -1.629 20 0 CAADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)NCCO[C@@H]1CC[NH2+]C1 ZINC001220936533 780396016 /nfs/dbraw/zinc/39/60/16/780396016.db2.gz GUZDFJHNWUJOBR-OLZOCXBDSA-N 3 0 299.419 -1.769 20 0 CAADRP O=C(NCCO[C@@H]1CC[NH2+]C1)[C@]12C[NH2+]C[C@H]1CCN2 ZINC001220936384 780396041 /nfs/dbraw/zinc/39/60/41/780396041.db2.gz FUBPNYQCSJCOEW-WZRBSPASSA-N 2 0 268.361 -1.567 20 0 CAADRP O=C(NCCO[C@@H]1CC[NH2+]C1)[C@]12C[NH2+]C[C@@H]1CCN2 ZINC001220936382 780396061 /nfs/dbraw/zinc/39/60/61/780396061.db2.gz FUBPNYQCSJCOEW-LOWVWBTDSA-N 2 0 268.361 -1.567 20 0 CAADRP O=C(C[C@@H]1COCC[NH2+]1)NCCO[C@@H]1CC[NH2+]C1 ZINC001220936585 780396082 /nfs/dbraw/zinc/39/60/82/780396082.db2.gz HVDYPDRBMBBIOM-GHMZBOCLSA-N 2 0 257.334 -1.140 20 0 CAADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)NCCO[C@@H]1CC[NH2+]C1 ZINC001220936532 780396306 /nfs/dbraw/zinc/39/63/06/780396306.db2.gz GUZDFJHNWUJOBR-CHWSQXEVSA-N 3 0 299.419 -1.769 20 0 CAADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)NCCO[C@H]1CC[NH2+]C1 ZINC001220936535 780396394 /nfs/dbraw/zinc/39/63/94/780396394.db2.gz GUZDFJHNWUJOBR-STQMWFEESA-N 3 0 299.419 -1.769 20 0 CAADRP O=C(CNC1CC[NH2+]CC1)NCCO[C@@H]1CC[NH2+]C1 ZINC001220937289 780396471 /nfs/dbraw/zinc/39/64/71/780396471.db2.gz NUSQHLCBOQYONR-GFCCVEGCSA-N 2 0 270.377 -1.177 20 0 CAADRP NC1(C(=O)NCCO[C@@H]2CC[NH2+]C2)CC[NH2+]CC1 ZINC001220936567 780396525 /nfs/dbraw/zinc/39/65/25/780396525.db2.gz HGSAHNRJBKERBP-SNVBAGLBSA-N 2 0 256.350 -1.438 20 0 CAADRP C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)NCCO[C@H]1CC[NH2+]C1 ZINC001220937132 780396853 /nfs/dbraw/zinc/39/68/53/780396853.db2.gz MPOYKTZHMPGNLV-GUBZILKMSA-N 2 0 288.348 -2.695 20 0 CAADRP O=C(NCCO[C@H]1CC[NH2+]C1)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220937458 780396999 /nfs/dbraw/zinc/39/69/99/780396999.db2.gz RZSQFHRLLQCBDZ-QWRGUYRKSA-N 3 0 268.361 -1.710 20 0 CAADRP [NH3+]CCCC[C@H]([NH3+])C(=O)NCCO[C@H]1CC[NH2+]C1 ZINC001220937508 780397892 /nfs/dbraw/zinc/39/78/92/780397892.db2.gz TZDQZMQOMUVGDJ-QWRGUYRKSA-N 3 0 258.366 -1.063 20 0 CAADRP O=C(NCCO[C@@H]1CC[NH2+]C1)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1 ZINC001220937494 780397959 /nfs/dbraw/zinc/39/79/59/780397959.db2.gz SVUVDTDXUQVOES-WHOHXGKFSA-N 2 0 268.361 -1.569 20 0 CAADRP CC(C)C[C@H](NC(=O)C[NH3+])C(=O)n1cc(C[NH3+])cnc1=N ZINC001220951199 780397979 /nfs/dbraw/zinc/39/79/79/780397979.db2.gz SXDGCNIRBKHZRF-JTQLQIEISA-N 2 0 294.359 -1.049 20 0 CAADRP N=c1ncc(C[NH3+])cn1C(=O)[C@@]12CC[C@@H](N1)[C@H]([NH3+])C2 ZINC001220951200 780398045 /nfs/dbraw/zinc/39/80/45/780398045.db2.gz SYEWKNWQCNISND-LNLATYFQSA-N 2 0 262.317 -1.317 20 0 CAADRP N=c1ncc(C[NH3+])cn1C(=O)[C@H]([NH3+])C1CC[NH2+]CC1 ZINC001220950944 780398078 /nfs/dbraw/zinc/39/80/78/780398078.db2.gz LHZGUGKEYVUVKH-SNVBAGLBSA-N 3 0 264.333 -1.212 20 0 CAADRP N=c1ncc(C[NH3+])cn1C(=O)[C@]12C[NH2+]C[C@@H]1CCN2 ZINC001220951422 780398241 /nfs/dbraw/zinc/39/82/41/780398241.db2.gz ZYWGKZQUVCYQQF-CABZTGNLSA-N 2 0 262.317 -1.587 20 0 CAADRP O=C(NCCO[C@@H]1CC[NH2+]C1)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001220937694 780398273 /nfs/dbraw/zinc/39/82/73/780398273.db2.gz XRBIARDVIUURJC-YRGRVCCFSA-N 3 0 282.388 -1.320 20 0 CAADRP [NH3+][C@H](Cc1cnc[nH]1)C(=O)NCCO[C@@H]1CC[NH2+]C1 ZINC001220937409 780398328 /nfs/dbraw/zinc/39/83/28/780398328.db2.gz QUQBBOXLRFWQMG-GHMZBOCLSA-N 2 0 267.333 -1.226 20 0 CAADRP N=c1ncc(C[NH3+])cn1C(=O)C1(N)CC[NH2+]CC1 ZINC001220951093 780398531 /nfs/dbraw/zinc/39/85/31/780398531.db2.gz PIRBNHZWEITHLH-UHFFFAOYSA-N 2 0 250.306 -1.458 20 0 CAADRP N=c1ncc(C[NH3+])cn1C(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001220950655 780398611 /nfs/dbraw/zinc/39/86/11/780398611.db2.gz BAXRBQUYRPYKDZ-VIFPVBQESA-N 3 0 252.322 -1.082 20 0 CAADRP [NH3+][C@@H](Cc1cnc[nH]1)C(=O)NCCO[C@@H]1CC[NH2+]C1 ZINC001220937410 780398890 /nfs/dbraw/zinc/39/88/90/780398890.db2.gz QUQBBOXLRFWQMG-MNOVXSKESA-N 2 0 267.333 -1.226 20 0 CAADRP O=C(NCCO[C@H]1CC[NH2+]C1)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1 ZINC001220937493 780399071 /nfs/dbraw/zinc/39/90/71/780399071.db2.gz SVUVDTDXUQVOES-FIQHERPVSA-N 2 0 268.361 -1.569 20 0 CAADRP [NH3+][C@H](C(=O)NCCO[C@@H]1CC[NH2+]C1)C1CC[NH2+]CC1 ZINC001220937707 780399266 /nfs/dbraw/zinc/39/92/66/780399266.db2.gz YDNQCZZARDETEN-NEPJUHHUSA-N 3 0 270.377 -1.192 20 0 CAADRP [NH3+][C@H](C(=O)NCCO[C@H]1CC[NH2+]C1)C1CC[NH2+]CC1 ZINC001220937709 780399498 /nfs/dbraw/zinc/39/94/98/780399498.db2.gz YDNQCZZARDETEN-RYUDHWBXSA-N 3 0 270.377 -1.192 20 0 CAADRP [NH3+][C@@H](C(=O)NCCO[C@@H]1CC[NH2+]C1)C1CC[NH2+]CC1 ZINC001220937710 780399541 /nfs/dbraw/zinc/39/95/41/780399541.db2.gz YDNQCZZARDETEN-VXGBXAGGSA-N 3 0 270.377 -1.192 20 0 CAADRP [NH3+]CC(=O)N1CCC[C@H]1C(=O)NCCO[C@@H]1CC[NH2+]C1 ZINC001220937610 780399561 /nfs/dbraw/zinc/39/95/61/780399561.db2.gz VXVAHVJTYVCROF-MNOVXSKESA-N 2 0 284.360 -1.569 20 0 CAADRP [NH3+][C@H](Cc1cnc[nH]1)C(=O)NCCO[C@H]1CC[NH2+]C1 ZINC001220937412 780399788 /nfs/dbraw/zinc/39/97/88/780399788.db2.gz QUQBBOXLRFWQMG-WDEREUQCSA-N 2 0 267.333 -1.226 20 0 CAADRP Cc1nnc(CNC(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)o1 ZINC001221011352 780402040 /nfs/dbraw/zinc/40/20/40/780402040.db2.gz ZMNKWGGPEQSVRV-JTQLQIEISA-N 2 0 282.348 -1.255 20 0 CAADRP C[N@@H+]1CCC[C@](C)(NC(=O)[C@H]2COC3(C[NH2+]C3)CN2)C1 ZINC001221240828 780407075 /nfs/dbraw/zinc/40/70/75/780407075.db2.gz DKEPLOZLWJQYFZ-YPMHNXCESA-N 2 0 282.388 -1.083 20 0 CAADRP C[C@@]1([NH3+])C[C@H](NC(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)C1 ZINC001221241138 780408284 /nfs/dbraw/zinc/40/82/84/780408284.db2.gz OWXJWNQZOZVUJC-GMXVVIOVSA-N 3 0 269.393 -1.267 20 0 CAADRP O=C(NC1CN(C2COC2)C1)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001221245751 780408461 /nfs/dbraw/zinc/40/84/61/780408461.db2.gz ARSRISPFTTYBOV-LLVKDONJSA-N 2 0 266.345 -2.005 20 0 CAADRP [NH3+]CCCC[C@H]([NH3+])C(=O)NC1CN(C2COC2)C1 ZINC001221245846 780408936 /nfs/dbraw/zinc/40/89/36/780408936.db2.gz GDNSIWLVOIDAPK-NSHDSACASA-N 2 0 256.350 -1.358 20 0 CAADRP [NH3+]CCSC[C@H]([NH3+])C(=O)NC1CN(C2COC2)C1 ZINC001221245857 780408983 /nfs/dbraw/zinc/40/89/83/780408983.db2.gz GJJCRPNXEUGYBX-JTQLQIEISA-N 2 0 274.390 -1.795 20 0 CAADRP O=C(NC1CN(C2COC2)C1)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001221246338 780409091 /nfs/dbraw/zinc/40/90/91/780409091.db2.gz YFNYCQFTTVOBRS-QMTHXVAHSA-N 2 0 280.372 -1.615 20 0 CAADRP Nc1cn(C(=O)[C@@H]([NH3+])C2CC[NH2+]CC2)c(N)nc1=O ZINC001221330241 780414302 /nfs/dbraw/zinc/41/43/02/780414302.db2.gz NLJSWZJCXWGMBX-QMMMGPOBSA-N 2 0 266.305 -1.383 20 0 CAADRP Cc1cnc(NC(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)c(=O)[nH]1 ZINC001221327989 780414482 /nfs/dbraw/zinc/41/44/82/780414482.db2.gz HWPXVAVOQZBTIK-MRVPVSSYSA-N 2 0 263.301 -1.174 20 0 CAADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)NC1=CC(=O)NCC1 ZINC001221317086 780414513 /nfs/dbraw/zinc/41/45/13/780414513.db2.gz VHUOPDOTEFRXGG-NSHDSACASA-N 2 0 281.360 -1.743 20 0 CAADRP O=C(NC1=CC(=O)NCC1)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001221317175 780414848 /nfs/dbraw/zinc/41/48/48/780414848.db2.gz YETJHSGVRJZLMM-VIFPVBQESA-N 2 0 250.302 -1.685 20 0 CAADRP [NH3+]CCC[C@@H]([NH3+])C(=O)NCCN1CCCS1(=O)=O ZINC001221336051 780415545 /nfs/dbraw/zinc/41/55/45/780415545.db2.gz IZOJNCSBNMEHFC-SECBINFHSA-N 2 0 278.378 -1.796 20 0 CAADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)N[C@H]1[C@@H]2COC[C@@H]21 ZINC001221339747 780415683 /nfs/dbraw/zinc/41/56/83/780415683.db2.gz OKGRWTKZGXOIMM-WHOHXGKFSA-N 2 0 268.361 -1.502 20 0 CAADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)N[C@H]1[C@@H]2COC[C@@H]21 ZINC001221339745 780415720 /nfs/dbraw/zinc/41/57/20/780415720.db2.gz OKGRWTKZGXOIMM-KXNHARMFSA-N 2 0 268.361 -1.502 20 0 CAADRP CC(=O)NCSC[C@H]([NH3+])C(=O)NCCCC[NH3+] ZINC001221348421 780416932 /nfs/dbraw/zinc/41/69/32/780416932.db2.gz YRVRDGAHQYVYSU-VIFPVBQESA-N 2 0 262.379 -1.004 20 0 CAADRP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)NCCCC[NH3+] ZINC001221348616 780417014 /nfs/dbraw/zinc/41/70/14/780417014.db2.gz KJYKGXGDMWLXRY-YUMQZZPRSA-N 2 0 273.337 -2.451 20 0 CAADRP CC1(C)C(=O)NC[C@H]1NC(=O)[C@@H]([NH3+])C1CC[NH2+]CC1 ZINC001221369193 780417063 /nfs/dbraw/zinc/41/70/63/780417063.db2.gz KILLTXKXBCMGSZ-ZJUUUORDSA-N 2 0 268.361 -1.046 20 0 CAADRP NC(=O)NCCC[C@@H]([NH3+])C(=O)N[C@@H]1C[NH2+]CC[C@H]1F ZINC001221367661 780417334 /nfs/dbraw/zinc/41/73/34/780417334.db2.gz SDALSSDTFDDSCL-IWSPIJDZSA-N 2 0 275.328 -1.422 20 0 CAADRP CC1(C)C(=O)NC[C@H]1NC(=O)[C@H]([NH3+])C1CC[NH2+]CC1 ZINC001221369190 780417434 /nfs/dbraw/zinc/41/74/34/780417434.db2.gz KILLTXKXBCMGSZ-NXEZZACHSA-N 2 0 268.361 -1.046 20 0 CAADRP C[C@H]([NH3+])C(=O)N[C@H](CCC(=O)NCCCC[NH3+])C(N)=O ZINC001221347814 780417527 /nfs/dbraw/zinc/41/75/27/780417527.db2.gz AXHDXMCKARZMNY-DTWKUNHWSA-N 2 0 287.364 -2.061 20 0 CAADRP CC1(C)C(=O)NC[C@@H]1NC(=O)[C@@H]([NH3+])C1CC[NH2+]CC1 ZINC001221369191 780417608 /nfs/dbraw/zinc/41/76/08/780417608.db2.gz KILLTXKXBCMGSZ-UWVGGRQHSA-N 2 0 268.361 -1.046 20 0 CAADRP O=C(NC[C@H]1CNC(=O)O1)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001221368108 780417619 /nfs/dbraw/zinc/41/76/19/780417619.db2.gz CZXFPBDVMLIQFB-JGVFFNPUSA-N 2 0 254.290 -1.980 20 0 CAADRP C[S@](=O)CC[C@H]([NH3+])C(=O)N[C@@H]1C[NH2+]CC[C@H]1F ZINC001221367241 780417656 /nfs/dbraw/zinc/41/76/56/780417656.db2.gz OINXUEICACZBRF-YVRUXSQRSA-N 2 0 265.354 -1.102 20 0 CAADRP CC1(C)C(=O)NC[C@@H]1NC(=O)[C@H]([NH3+])C1CC[NH2+]CC1 ZINC001221369192 780417725 /nfs/dbraw/zinc/41/77/25/780417725.db2.gz KILLTXKXBCMGSZ-VHSXEESVSA-N 2 0 268.361 -1.046 20 0 CAADRP [NH3+]CC(=O)N1CCC[C@H]1C(=O)N[C@@H]1C[NH2+]CC[C@H]1F ZINC001221365744 780417771 /nfs/dbraw/zinc/41/77/71/780417771.db2.gz HXRVGQYLJXNROA-BBBLOLIVSA-N 2 0 272.324 -1.248 20 0 CAADRP [NH3+]CCSC[C@H]([NH3+])C(=O)NC[C@H]1CNC(=O)O1 ZINC001221371488 780418250 /nfs/dbraw/zinc/41/82/50/780418250.db2.gz YLKKBNQGOHHZBX-BQBZGAKWSA-N 2 0 262.335 -1.770 20 0 CAADRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)[C@@H]1CNC(=O)N1 ZINC001221388714 780418274 /nfs/dbraw/zinc/41/82/74/780418274.db2.gz DZCSDQTYBORWQW-QMMMGPOBSA-N 2 0 270.337 -1.268 20 0 CAADRP CC1(C)C(=O)NC[C@@H]1NC(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001221370030 780418341 /nfs/dbraw/zinc/41/83/41/780418341.db2.gz ORPHRXVCJIXFSL-MNOVXSKESA-N 2 0 297.403 -1.622 20 0 CAADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)NC[C@@H]1CNC(=O)O1 ZINC001221370834 780418440 /nfs/dbraw/zinc/41/84/40/780418440.db2.gz UPHDTKFZMXOPHA-NXEZZACHSA-N 2 0 285.348 -2.039 20 0 CAADRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)[C@@H](N)CC[NH3+] ZINC001221389082 780418518 /nfs/dbraw/zinc/41/85/18/780418518.db2.gz HSWDDVJZRJWSGT-VIFPVBQESA-N 3 0 258.370 -1.274 20 0 CAADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)NC[C@H]1CNC(=O)O1 ZINC001221370837 780418804 /nfs/dbraw/zinc/41/88/04/780418804.db2.gz UPHDTKFZMXOPHA-VHSXEESVSA-N 2 0 285.348 -2.039 20 0 CAADRP CC[C@H](CO)NC(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001221377454 780418967 /nfs/dbraw/zinc/41/89/67/780418967.db2.gz PERLOYSEQYVHHK-MNOVXSKESA-N 2 0 258.366 -1.376 20 0 CAADRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001221389155 780418997 /nfs/dbraw/zinc/41/89/97/780418997.db2.gz ICMOEFXHGVRDDY-NSHDSACASA-N 4 0 296.419 -1.141 20 0 CAADRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)[C@@H](N)COC(C)=O ZINC001221389609 780419141 /nfs/dbraw/zinc/41/91/41/780419141.db2.gz LYRZCHGIMRSYCA-JTQLQIEISA-N 2 0 287.364 -1.059 20 0 CAADRP CC1(C)C(=O)NC[C@H]1NC(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001221370035 780419176 /nfs/dbraw/zinc/41/91/76/780419176.db2.gz ORPHRXVCJIXFSL-WDEREUQCSA-N 2 0 297.403 -1.622 20 0 CAADRP [NH3+][C@H](C(=O)NC[C@H]1CNC(=O)O1)C1CC[NH2+]CC1 ZINC001221370797 780419274 /nfs/dbraw/zinc/41/92/74/780419274.db2.gz UIVVVIVEOASPGY-IUCAKERBSA-N 2 0 256.306 -1.462 20 0 CAADRP CC[C@@H](CO)NC(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001221377456 780419443 /nfs/dbraw/zinc/41/94/43/780419443.db2.gz PERLOYSEQYVHHK-WDEREUQCSA-N 2 0 258.366 -1.376 20 0 CAADRP C[NH+]1CCC(CO)(NC(=O)[C@H]([NH3+])CCC[NH3+])CC1 ZINC001221402282 780419831 /nfs/dbraw/zinc/41/98/31/780419831.db2.gz BUFDTWYQYZFZFK-SNVBAGLBSA-N 3 0 258.366 -1.375 20 0 CAADRP C[NH+]1CCC(CO)(NC(=O)[C@@H]([NH3+])CSCC[NH3+])CC1 ZINC001221406246 780420350 /nfs/dbraw/zinc/42/03/50/780420350.db2.gz PVYGIJGBPRLJTJ-JTQLQIEISA-N 3 0 290.433 -1.422 20 0 CAADRP NC1=CC=C(C2CCN(C(=O)[C@@H](N)C[NH3+])CC2)[NH2+]C1 ZINC001221391439 780420517 /nfs/dbraw/zinc/42/05/17/780420517.db2.gz NHCWOLSWEGREFT-NSHDSACASA-N 2 0 265.361 -1.159 20 0 CAADRP C[NH+]1CCC(CO)(NC(=O)[C@H]2COC3(C[NH2+]C3)CN2)CC1 ZINC001221403806 780420539 /nfs/dbraw/zinc/42/05/39/780420539.db2.gz YIUXJFHZNIVGFT-LLVKDONJSA-N 2 0 298.387 -2.110 20 0 CAADRP C[NH+]1CCC(CO)(NC(=O)[C@]2(N)CC[NH2+]C2)CC1 ZINC001221406721 780420563 /nfs/dbraw/zinc/42/05/63/780420563.db2.gz ULHKWACJTAQISL-LBPRGKRZSA-N 2 0 256.350 -1.750 20 0 CAADRP C[NH+]1CCC(CO)(NC(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3N2)CC1 ZINC001221402379 780420718 /nfs/dbraw/zinc/42/07/18/780420718.db2.gz FQKKYMMKZFUDBL-SDDRHHMPSA-N 2 0 282.388 -1.491 20 0 CAADRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)[C@H]1[NH2+]CC[C@@H]1O ZINC001221391647 780420851 /nfs/dbraw/zinc/42/08/51/780420851.db2.gz OKNLSCKZCUTZGU-UWVGGRQHSA-N 3 0 271.365 -1.227 20 0 CAADRP C[NH+]1CCC(CO)(NC(=O)[C@@]2(N)CC[NH2+]C2)CC1 ZINC001221406718 780420855 /nfs/dbraw/zinc/42/08/55/780420855.db2.gz ULHKWACJTAQISL-GFCCVEGCSA-N 2 0 256.350 -1.750 20 0 CAADRP C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N[C@@H](C1CCC1)C1C[NH2+]C1 ZINC001221412927 780421857 /nfs/dbraw/zinc/42/18/57/780421857.db2.gz HJFBFXTXKSOPLJ-UWJYBYFXSA-N 2 0 298.387 -1.685 20 0 CAADRP C[N@@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)CNC(=O)C[NH3+] ZINC000720880588 780431963 /nfs/dbraw/zinc/43/19/63/780431963.db2.gz PGZVWDSBBQGWPV-UWVGGRQHSA-N 2 0 254.334 -1.244 20 0 CAADRP CN1CCN(C(=O)CN2C[C@H]3CN(C)C[C@@H](C2)O3)CC1 ZINC001277632539 780470571 /nfs/dbraw/zinc/47/05/71/780470571.db2.gz WMTCUKVFMWJFIC-BETUJISGSA-N 2 0 282.388 -1.225 20 0 CAADRP c1nc(CN2CC[NH2+]CCNCC[NH2+]CC2)c[nH]1 ZINC001235868156 780494442 /nfs/dbraw/zinc/49/44/42/780494442.db2.gz BJXLHYYJQNUJKO-UHFFFAOYSA-N 2 0 252.366 -1.006 20 0 CAADRP O=c1cc[nH]cc1CN1CC[NH2+]CCNCC[NH2+]CC1 ZINC001235873587 780495005 /nfs/dbraw/zinc/49/50/05/780495005.db2.gz IPBQCEWGRDXUMP-UHFFFAOYSA-N 2 0 279.388 -1.041 20 0 CAADRP c1nc(CN2CC[NH2+]CCNCC[NH2+]CC2)n[nH]1 ZINC001235874159 780495212 /nfs/dbraw/zinc/49/52/12/780495212.db2.gz LTDXNQSWDQNCGD-UHFFFAOYSA-N 2 0 253.354 -1.611 20 0 CAADRP COC(=O)[C@@H]1C[C@H]([NH3+])CN1CC[C@H]1C[NH2+]CCO1 ZINC001236197329 780495288 /nfs/dbraw/zinc/49/52/88/780495288.db2.gz QJFHOQRNZLQSDW-DCAQKATOSA-N 2 0 257.334 -1.061 20 0 CAADRP C([C@@H]1COCC[NH2+]1)N1CC[NH2+]CCNCC[NH2+]CC1 ZINC001235871502 780495365 /nfs/dbraw/zinc/49/53/65/780495365.db2.gz UPXMMMXGTGZSKY-CYBMUJFWSA-N 3 0 271.409 -1.941 20 0 CAADRP COC(=O)[C@@H]1C[NH2+]CCN1Cc1cnc2n1CC[NH2+]CC2 ZINC001236055498 780495414 /nfs/dbraw/zinc/49/54/14/780495414.db2.gz SAASLCWIQUCCGH-LBPRGKRZSA-N 2 0 293.371 -1.024 20 0 CAADRP O=c1[nH]cc(CN2CC[NH2+]CCNCC[NH2+]CC2)c(=O)[nH]1 ZINC001235871274 780495430 /nfs/dbraw/zinc/49/54/30/780495430.db2.gz TUFSIXHCIXXRKH-UHFFFAOYSA-N 2 0 296.375 -1.528 20 0 CAADRP COC(=O)[C@@H]1C[NH2+]CCN1CC[C@@H]1C[NH2+]CCO1 ZINC001236053215 780495718 /nfs/dbraw/zinc/49/57/18/780495718.db2.gz REDFMDRYWBDPRI-MNOVXSKESA-N 2 0 257.334 -1.188 20 0 CAADRP Nc1[nH]c(CN2CC[NH2+]CCNCC[NH2+]CC2)c[nH+]1 ZINC001235875112 780495769 /nfs/dbraw/zinc/49/57/69/780495769.db2.gz OYELCXRALRMKEF-UHFFFAOYSA-N 3 0 267.381 -1.424 20 0 CAADRP Nc1[nH]c(CN(CCC[NH3+])CC(=O)NCCC[NH3+])c[nH+]1 ZINC001236318066 780496451 /nfs/dbraw/zinc/49/64/51/780496451.db2.gz ZNJPFHOMMCLMSW-UHFFFAOYSA-N 3 0 283.380 -1.392 20 0 CAADRP COC(=O)[C@@H]1CN(Cc2cnc3n2CC[NH2+]CC3)C[C@@H]1[NH3+] ZINC001236342201 780496471 /nfs/dbraw/zinc/49/64/71/780496471.db2.gz JJKGRSQVHJDDQM-NEPJUHHUSA-N 2 0 293.371 -1.039 20 0 CAADRP [NH3+]CCCNC(=O)CN(CCC[NH3+])CCC1C[NH2+]C1 ZINC001236310108 780496559 /nfs/dbraw/zinc/49/65/59/780496559.db2.gz UXGVNFPAKLUVPA-UHFFFAOYSA-N 3 0 271.409 -1.288 20 0 CAADRP [NH3+]CCCNC(=O)CN(CCC[NH3+])C[C@H]1[C@@H]2C[NH2+]C[C@H]12 ZINC001236310302 780496741 /nfs/dbraw/zinc/49/67/41/780496741.db2.gz WPUSPZDHGMCOSW-ITGUQSILSA-N 3 0 283.420 -1.432 20 0 CAADRP COC(=O)[C@@H]1CN(CC[C@@H]2C[NH2+]CCO2)C[C@@H]1[NH3+] ZINC001236346139 780496892 /nfs/dbraw/zinc/49/68/92/780496892.db2.gz WWHXLAKDUKVXPX-MXWKQRLJSA-N 2 0 257.334 -1.203 20 0 CAADRP [NH3+]CCCNC(=O)CN(CCC[NH3+])C[C@H]1C[NH2+]CCO1 ZINC001236309486 780496908 /nfs/dbraw/zinc/49/69/08/780496908.db2.gz LROXOUDMMOIWIH-GFCCVEGCSA-N 3 0 287.408 -1.909 20 0 CAADRP [NH3+]CCCNC(=O)CN(CCC[NH3+])CC1C[NH2+]C1 ZINC001236308954 780496927 /nfs/dbraw/zinc/49/69/27/780496927.db2.gz JXZKVGVZYKQKPO-UHFFFAOYSA-N 3 0 257.382 -1.678 20 0 CAADRP COC(=O)[C@H]1CN(Cc2cnc3n2CC[NH2+]CC3)C[C@@H]1[NH3+] ZINC001236342206 780496966 /nfs/dbraw/zinc/49/69/66/780496966.db2.gz JJKGRSQVHJDDQM-RYUDHWBXSA-N 2 0 293.371 -1.039 20 0 CAADRP [NH3+]CCCNC(=O)CN(CCC[NH3+])C[C@@H]1CCC[NH2+]1 ZINC001236310089 780497072 /nfs/dbraw/zinc/49/70/72/780497072.db2.gz UHWVDUDHVSFILV-LBPRGKRZSA-N 3 0 271.409 -1.146 20 0 CAADRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](CO)[NH2+]CCCO ZINC001278054828 780502066 /nfs/dbraw/zinc/50/20/66/780502066.db2.gz WUOOKRVPAPDUKX-WDEREUQCSA-N 2 0 259.350 -1.470 20 0 CAADRP O=C(NC[C@@H](CO)[NH2+]CCCO)[C@H]1C[NH+]2CCC1CC2 ZINC001278085054 780504972 /nfs/dbraw/zinc/50/49/72/780504972.db2.gz JMWQAQUGOSNKAQ-STQMWFEESA-N 2 0 285.388 -1.223 20 0 CAADRP O=C(NC[C@H](CO)[NH2+]CCCO)[C@@H]1C[NH+]2CCC1CC2 ZINC001278085049 780505454 /nfs/dbraw/zinc/50/54/54/780505454.db2.gz JMWQAQUGOSNKAQ-CHWSQXEVSA-N 2 0 285.388 -1.223 20 0 CAADRP CCOC1(OCC)CC[NH2+]C[C@H]1NS(=O)(=O)CC[NH3+] ZINC001238182046 780514233 /nfs/dbraw/zinc/51/42/33/780514233.db2.gz MOBQVUZBQSQDHX-SNVBAGLBSA-N 2 0 295.405 -1.004 20 0 CAADRP [NH3+]CCS(=O)(=O)NCCC(=O)N1CC[NH2+]CC1 ZINC001238179237 780514541 /nfs/dbraw/zinc/51/45/41/780514541.db2.gz BSYSIUHITAZSKH-UHFFFAOYSA-N 2 0 264.351 -2.314 20 0 CAADRP O=S(=O)(CC1CC[NH2+]CC1)N[C@@H]1C[NH2+]C[C@@H]1O ZINC001238124535 780514740 /nfs/dbraw/zinc/51/47/40/780514740.db2.gz WRBPSVKQODZAHS-ZJUUUORDSA-N 2 0 263.363 -1.762 20 0 CAADRP O=S(=O)(CC1CC[NH2+]CC1)N[C@H]1C[NH2+]C[C@H]1O ZINC001238124533 780515032 /nfs/dbraw/zinc/51/50/32/780515032.db2.gz WRBPSVKQODZAHS-VHSXEESVSA-N 2 0 263.363 -1.762 20 0 CAADRP O=C1C[C@H]2[NH2+]CC[C@]2(NS(=O)(=O)C2CC[NH2+]CC2)N1 ZINC001238331209 780516983 /nfs/dbraw/zinc/51/69/83/780516983.db2.gz NDRLPXURGOHSKE-MWLCHTKSSA-N 2 0 288.373 -1.764 20 0 CAADRP COC(=O)[C@H](CC[NH3+])NS(=O)(=O)CC1CC[NH2+]CC1 ZINC001238355261 780517061 /nfs/dbraw/zinc/51/70/61/780517061.db2.gz DLIINXQRPREOHT-JTQLQIEISA-N 2 0 293.389 -1.204 20 0 CAADRP [NH3+]CCS(=O)(=O)NC[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21 ZINC001238346215 780517431 /nfs/dbraw/zinc/51/74/31/780517431.db2.gz YWWZSICPWXAEPN-LPEHRKFASA-N 2 0 263.363 -1.511 20 0 CAADRP [NH3+]CCS(=O)(=O)NC[C@@H]1CC[C@H]2[NH2+]CCO[C@@H]21 ZINC001238329402 780517787 /nfs/dbraw/zinc/51/77/87/780517787.db2.gz XTEGGLRNJSSSIZ-IVZWLZJFSA-N 2 0 263.363 -1.369 20 0 CAADRP O=C1C[C@@H]2[NH2+]CC[C@]2(NS(=O)(=O)C2CC[NH2+]CC2)N1 ZINC001238331207 780517937 /nfs/dbraw/zinc/51/79/37/780517937.db2.gz NDRLPXURGOHSKE-GXSJLCMTSA-N 2 0 288.373 -1.764 20 0 CAADRP O=S(=O)(CC1CC[NH2+]CC1)N[C@@]1(CO)CC[NH2+]C1 ZINC001238627336 780520472 /nfs/dbraw/zinc/52/04/72/780520472.db2.gz YONIZSDHINUQHT-NSHDSACASA-N 2 0 277.390 -1.370 20 0 CAADRP O=S(=O)(CC1CC[NH2+]CC1)N[C@]1(CO)CC[NH2+]C1 ZINC001238627335 780520498 /nfs/dbraw/zinc/52/04/98/780520498.db2.gz YONIZSDHINUQHT-LLVKDONJSA-N 2 0 277.390 -1.370 20 0 CAADRP CN(CC[NH3+])CCNS(=O)(=O)CC1CC[NH2+]CC1 ZINC001238615048 780520704 /nfs/dbraw/zinc/52/07/04/780520704.db2.gz QAHQMKPAESTCCU-UHFFFAOYSA-N 2 0 278.422 -1.204 20 0 CAADRP [NH3+]CCS(=O)(=O)N1CCC[C@]2(C[NH2+]CCO2)C1 ZINC001239037315 780528424 /nfs/dbraw/zinc/52/84/24/780528424.db2.gz RTUSMYKYVHLAMO-JTQLQIEISA-N 2 0 263.363 -1.271 20 0 CAADRP [NH3+]CCS(=O)(=O)N1CC[C@@]23C[NH2+]C[C@@H](C[C@H]2C1)O3 ZINC001239069078 780528554 /nfs/dbraw/zinc/52/85/54/780528554.db2.gz HUSPRNKXFFVGLY-HBNTYKKESA-N 2 0 275.374 -1.272 20 0 CAADRP [NH3+]CCS(=O)(=O)N1CCOCC12CC[NH2+]CC2 ZINC001239042245 780528688 /nfs/dbraw/zinc/52/86/88/780528688.db2.gz VVRISWLSXFEHCW-UHFFFAOYSA-N 2 0 263.363 -1.271 20 0 CAADRP O=S(=O)([C@H]1CC[NH2+]C1)N1CCN[C@]2(CC[NH2+]C2)C1 ZINC001239030177 780528711 /nfs/dbraw/zinc/52/87/11/780528711.db2.gz DPJHWOUPTRNRCB-QWRGUYRKSA-N 2 0 274.390 -1.685 20 0 CAADRP O=S(=O)([C@H]1CC[NH2+]C1)N1CCN[C@H]2CC[NH2+]CC[C@@H]21 ZINC001239014895 780528728 /nfs/dbraw/zinc/52/87/28/780528728.db2.gz FXIGFWBRMUANBR-SRVKXCTJSA-N 2 0 288.417 -1.296 20 0 CAADRP [NH3+]CCS(=O)(=O)N1CCO[C@@H]2C[NH2+]CC[C@@H]2C1 ZINC001239026685 780528873 /nfs/dbraw/zinc/52/88/73/780528873.db2.gz IWVITSAZMQCSMM-NXEZZACHSA-N 2 0 263.363 -1.415 20 0 CAADRP O=S(=O)([C@@H]1CC[NH2+]C1)N1CCNC[C@@]12CC[NH2+]C2 ZINC001239028335 780528895 /nfs/dbraw/zinc/52/88/95/780528895.db2.gz YGSOOIGOGCIZBF-MNOVXSKESA-N 2 0 274.390 -1.685 20 0 CAADRP [NH3+]CCS(=O)(=O)N1CCC[C@@]2(C[NH2+]CCO2)C1 ZINC001239037316 780528938 /nfs/dbraw/zinc/52/89/38/780528938.db2.gz RTUSMYKYVHLAMO-SNVBAGLBSA-N 2 0 263.363 -1.271 20 0 CAADRP O=S(=O)(C1CC[NH2+]CC1)N1CCN[C@]2(CC[NH2+]C2)C1 ZINC001239030706 780529057 /nfs/dbraw/zinc/52/90/57/780529057.db2.gz KUYQQXBYEVLOAL-LBPRGKRZSA-N 2 0 288.417 -1.295 20 0 CAADRP [NH3+]CCS(=O)(=O)N1CCOC[C@@]2(CCC[NH2+]C2)C1 ZINC001239027160 780529119 /nfs/dbraw/zinc/52/91/19/780529119.db2.gz RAWUKAUBCZCRLK-LLVKDONJSA-N 2 0 277.390 -1.023 20 0 CAADRP [NH3+]CCN(CC[NH3+])S(=O)(=O)CC1CC[NH2+]CC1 ZINC001239097772 780529774 /nfs/dbraw/zinc/52/97/74/780529774.db2.gz XANURQINYMOOFG-UHFFFAOYSA-N 3 0 264.395 -1.465 20 0 CAADRP COC(=O)[C@@H]1C[C@@H]([NH3+])CN1S(=O)(=O)[C@@H]1CC[NH2+]C1 ZINC001239122421 780531388 /nfs/dbraw/zinc/53/13/88/780531388.db2.gz WMUFQGLDRMTIGA-HLTSFMKQSA-N 2 0 277.346 -1.747 20 0 CAADRP [NH3+]CCS(=O)(=O)N1CCC(N2CC[NH2+]CC2)CC1 ZINC001239116404 780531580 /nfs/dbraw/zinc/53/15/80/780531580.db2.gz BUZSJCGTXOARNC-UHFFFAOYSA-N 2 0 276.406 -1.356 20 0 CAADRP COC(=O)[C@@H]1C[C@@H]([NH3+])CN1S(=O)(=O)[C@H]1CC[NH2+]C1 ZINC001239122422 780531865 /nfs/dbraw/zinc/53/18/65/780531865.db2.gz WMUFQGLDRMTIGA-VGMNWLOBSA-N 2 0 277.346 -1.747 20 0 CAADRP COC(=O)[C@H]1CN(C(=S)NCC[NH+](C)C)C[C@H]1[NH3+] ZINC001239451173 780537461 /nfs/dbraw/zinc/53/74/61/780537461.db2.gz HREPMLHRYLGSAT-DTWKUNHWSA-N 2 0 274.390 -1.145 20 0 CAADRP COC(=O)[C@H]1CN(C(=S)NCC[NH+](C)C)C[C@@H]1[NH3+] ZINC001239451174 780537700 /nfs/dbraw/zinc/53/77/00/780537700.db2.gz HREPMLHRYLGSAT-IUCAKERBSA-N 2 0 274.390 -1.145 20 0 CAADRP COC(=O)[C@@H]1CN(C(=S)NCC[NH+](C)C)C[C@H]1[NH3+] ZINC001239451175 780537956 /nfs/dbraw/zinc/53/79/56/780537956.db2.gz HREPMLHRYLGSAT-RKDXNWHRSA-N 2 0 274.390 -1.145 20 0 CAADRP CNC(=O)[C@H](CCCC[NH3+])[NH2+]C[C@@H](O)C(=O)OC ZINC001246018955 780539005 /nfs/dbraw/zinc/53/90/05/780539005.db2.gz HVFIUDATKQDDDE-DTWKUNHWSA-N 2 0 261.322 -1.647 20 0 CAADRP CNC(=O)[C@H](CCCC[NH3+])NC[C@@]1(O)CCC[NH2+]C1 ZINC001246019220 780539340 /nfs/dbraw/zinc/53/93/40/780539340.db2.gz JQYLPRDXPRGCQC-WCQYABFASA-N 2 0 272.393 -1.066 20 0 CAADRP COC(=O)[C@@H](O)CNC[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001245984752 780539372 /nfs/dbraw/zinc/53/93/72/780539372.db2.gz JVBVWWRCRJHHEI-MNOVXSKESA-N 2 0 271.361 -1.016 20 0 CAADRP CNC(=O)[C@H](CCCC[NH3+])[NH2+]C[C@H](O)C(=O)OC ZINC001246018958 780539718 /nfs/dbraw/zinc/53/97/18/780539718.db2.gz HVFIUDATKQDDDE-IUCAKERBSA-N 2 0 261.322 -1.647 20 0 CAADRP [NH3+][C@H]1CN(C[C@@H](O)CC2(O)CC[NH2+]CC2)C[C@H]1F ZINC001246014575 780539773 /nfs/dbraw/zinc/53/97/73/780539773.db2.gz PJCOCQCVOYQXIV-AXFHLTTASA-N 2 0 261.341 -1.167 20 0 CAADRP O=C1C[C@@H]2[NH2+]CC[C@]2(NC[C@]2(O)CCC[NH2+]C2)N1 ZINC001245985694 780539907 /nfs/dbraw/zinc/53/99/07/780539907.db2.gz SJYBLMXEOXWDMY-DLOVCJGASA-N 2 0 254.334 -1.731 20 0 CAADRP O=C1C[C@@H]2[NH2+]CC[C@]2(NCC2(O)CC[NH2+]CC2)N1 ZINC001245987239 780539930 /nfs/dbraw/zinc/53/99/30/780539930.db2.gz XZWZFCMLAPBKLH-CABZTGNLSA-N 2 0 254.334 -1.731 20 0 CAADRP CNC(=O)[C@H](CCCC[NH3+])NC[C@]1(O)CCC[NH2+]C1 ZINC001246019191 780539943 /nfs/dbraw/zinc/53/99/43/780539943.db2.gz JQYLPRDXPRGCQC-AAEUAGOBSA-N 2 0 272.393 -1.066 20 0 CAADRP COC(=O)[C@@H](O)C[NH2+]C1CN(C2CC[NH2+]CC2)C1 ZINC001245989030 780540101 /nfs/dbraw/zinc/54/01/01/780540101.db2.gz KHJAZMAEHKEEGY-NSHDSACASA-N 2 0 257.334 -1.454 20 0 CAADRP O[C@H](CN1CCN[C@]2(CC[NH2+]C2)C1)CC1(O)CC[NH2+]CC1 ZINC001246023441 780540598 /nfs/dbraw/zinc/54/05/98/780540598.db2.gz DQOFPLGZAPREJS-KBPBESRZSA-N 2 0 298.431 -1.511 20 0 CAADRP [NH3+]C[C@H]1C[N@H+](C[C@H](O)CN2CCOCC2)C[C@@H]1O ZINC001246025972 780540638 /nfs/dbraw/zinc/54/06/38/780540638.db2.gz YNKZSTSLJHANPK-TUAOUCFPSA-N 2 0 259.350 -2.069 20 0 CAADRP [NH3+][C@@H]1CN(C[C@@H](O)CC2(O)CC[NH2+]CC2)CC[C@H]1O ZINC001246035871 780541017 /nfs/dbraw/zinc/54/10/17/780541017.db2.gz ZHDHSQJGSVQSSP-QJPTWQEYSA-N 2 0 273.377 -1.754 20 0 CAADRP O[C@H](CN1CCNC[C@]12CC[NH2+]C2)CC1(O)CC[NH2+]CC1 ZINC001246024303 780541055 /nfs/dbraw/zinc/54/10/55/780541055.db2.gz DZROGQPBMVYMKV-UONOGXRCSA-N 2 0 298.431 -1.511 20 0 CAADRP [NH3+]C[C@]1(O)CCCC[N@H+](C[C@H](O)CN2CCOCC2)C1 ZINC001246022425 780541110 /nfs/dbraw/zinc/54/11/10/780541110.db2.gz NUWHUEKWCXHDEH-ZIAGYGMSSA-N 2 0 287.404 -1.145 20 0 CAADRP O[C@@H](CN1CCOCC1)C[N@@H+]1CCNC2(CC[NH2+]CC2)C1 ZINC001246029966 780541249 /nfs/dbraw/zinc/54/12/49/780541249.db2.gz NPOJNHZSSIPIBG-AWEZNQCLSA-N 2 0 298.431 -1.293 20 0 CAADRP [NH3+]C[C@H]1C[N@H+](C[C@@H](O)CN2CCOCC2)C[C@@H]1O ZINC001246025970 780541380 /nfs/dbraw/zinc/54/13/80/780541380.db2.gz YNKZSTSLJHANPK-SRVKXCTJSA-N 2 0 259.350 -2.069 20 0 CAADRP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1C[N@H+](C[C@H](O)CO)C[C@H]1C2 ZINC001246045445 780541461 /nfs/dbraw/zinc/54/14/61/780541461.db2.gz KIKUCFLAIFKNMX-LARJDALCSA-N 2 0 284.356 -1.330 20 0 CAADRP O[C@]1(CN2CCN[C@H]3CC[NH2+]CC[C@@H]32)CC[NH2+]C1 ZINC001246022390 780541481 /nfs/dbraw/zinc/54/14/81/780541481.db2.gz JPQCWXLXJDXRHE-RWMBFGLXSA-N 2 0 254.378 -1.263 20 0 CAADRP COC(=O)[C@H](O)C[N@@H+]1CCNC2(CC[NH2+]CC2)C1 ZINC001246033374 780541568 /nfs/dbraw/zinc/54/15/68/780541568.db2.gz VGLNKCJZGBECFD-SNVBAGLBSA-N 2 0 257.334 -1.452 20 0 CAADRP O[C@@H](CN1CCNC[C@@]12CC[NH2+]C2)CC1(O)CC[NH2+]CC1 ZINC001246024301 780541877 /nfs/dbraw/zinc/54/18/77/780541877.db2.gz DZROGQPBMVYMKV-KGLIPLIRSA-N 2 0 298.431 -1.511 20 0 CAADRP CC(C)OC[C@H](O)CN1CC[NH2+]CCNCC[NH2+]CC1 ZINC001246057078 780542301 /nfs/dbraw/zinc/54/23/01/780542301.db2.gz RTKSHFKEXZQZMK-CQSZACIVSA-N 2 0 288.436 -1.143 20 0 CAADRP COC(=O)[C@@H](O)CN1CC[NH2+]CCNCC[NH2+]CC1 ZINC001246055146 780542376 /nfs/dbraw/zinc/54/23/76/780542376.db2.gz KTPNHKAEPHYFIY-NSHDSACASA-N 2 0 274.365 -2.395 20 0 CAADRP COC(=O)[C@H](O)CN1CC[NH2+]CCNCC[NH2+]CC1 ZINC001246055145 780542641 /nfs/dbraw/zinc/54/26/41/780542641.db2.gz KTPNHKAEPHYFIY-LLVKDONJSA-N 2 0 274.365 -2.395 20 0 CAADRP O[C@@]1(C[NH2+][C@H]2CCNC3(C[NH2+]C3)C2)CC[NH2+]C[C@@H]1F ZINC001246081016 780542696 /nfs/dbraw/zinc/54/26/96/780542696.db2.gz IIKOFPNBUIOUDX-GMXVVIOVSA-N 3 0 272.368 -1.268 20 0 CAADRP COC(=O)[C@@H]1C[C@H]([NH3+])CN1CC1(O)CC[NH2+]CC1 ZINC001246062705 780542855 /nfs/dbraw/zinc/54/28/55/780542855.db2.gz IEMFKDSWOBRWJI-UWVGGRQHSA-N 2 0 257.334 -1.325 20 0 CAADRP C[C@@H](CN1CC[NH2+]CC1)[NH2+][C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246078202 780542994 /nfs/dbraw/zinc/54/29/94/780542994.db2.gz HGSHXDAJYJXSMO-STQMWFEESA-N 3 0 267.421 -1.036 20 0 CAADRP O=C1NCCN1CC[NH2+][C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246075557 780543048 /nfs/dbraw/zinc/54/30/48/780543048.db2.gz VZGNIPGMWOWOSQ-JTQLQIEISA-N 2 0 253.350 -1.305 20 0 CAADRP O[C@@]1(CN2CC[NH2+]CCNCC[NH2+]CC2)CC[NH2+]C1 ZINC001246056344 780543194 /nfs/dbraw/zinc/54/31/94/780543194.db2.gz OPHHTGSGUOPRLB-ZDUSSCGKSA-N 3 0 271.409 -2.205 20 0 CAADRP O[C@@]1(CN2CC[NH2+]CCNCC[NH2+]CC2)CCC[NH2+]C1 ZINC001246053027 780543236 /nfs/dbraw/zinc/54/32/36/780543236.db2.gz GVVFJEFMICKQPP-AWEZNQCLSA-N 3 0 285.436 -1.815 20 0 CAADRP COC(=O)[C@@H]1C[NH2+]CCN1C[C@@]1(O)CCC[NH2+]C1 ZINC001246049920 780543268 /nfs/dbraw/zinc/54/32/68/780543268.db2.gz SRYBJUVKCWBLON-CMPLNLGQSA-N 2 0 257.334 -1.452 20 0 CAADRP O=S1(=O)CC[C@H]([NH2+][C@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246091081 780543686 /nfs/dbraw/zinc/54/36/86/780543686.db2.gz BKGJRDVCAXSHBN-UWVGGRQHSA-N 2 0 259.375 -1.143 20 0 CAADRP COC(=O)[C@@H]1CC[C@@H]([NH2+]C[C@H]2C[NH2+]C[C@H]2O)CN1 ZINC001246115747 780543726 /nfs/dbraw/zinc/54/37/26/780543726.db2.gz CMFXVMARRYPROU-CHWFTXMASA-N 2 0 257.334 -1.550 20 0 CAADRP COC(=O)[C@@H]1CC[C@H]([NH2+]C[C@H]2C[NH2+]C[C@H]2O)CN1 ZINC001246115754 780543772 /nfs/dbraw/zinc/54/37/72/780543772.db2.gz CMFXVMARRYPROU-VPOLOUISSA-N 2 0 257.334 -1.550 20 0 CAADRP O[C@@]1(C[NH2+][C@@H]2CCNC3(C[NH2+]C3)C2)CC[NH2+]C[C@@H]1F ZINC001246081017 780543828 /nfs/dbraw/zinc/54/38/28/780543828.db2.gz IIKOFPNBUIOUDX-NTZNESFSSA-N 3 0 272.368 -1.268 20 0 CAADRP COC(=O)[C@H]1C[C@@H]([NH2+]C[C@]2(O)CC[NH2+]C[C@@H]2F)CN1 ZINC001246085035 780543894 /nfs/dbraw/zinc/54/38/94/780543894.db2.gz VNOOCDXOOVUJQG-MWGHHZFTSA-N 2 0 275.324 -1.458 20 0 CAADRP O=C(CC[NH2+][C@H]1CCNC2(C[NH2+]C2)C1)N1CC[NH2+]CC1 ZINC001246105399 780543914 /nfs/dbraw/zinc/54/39/14/780543914.db2.gz BGSQCRNTZWHKBR-LBPRGKRZSA-N 3 0 281.404 -1.508 20 0 CAADRP COC(=O)[C@@H]1C[C@@H]([NH2+]C[C@H]2COC3(C[NH2+]C3)C2)CN1 ZINC001246132845 780544015 /nfs/dbraw/zinc/54/40/15/780544015.db2.gz INRNZDKFLZDVBC-AXFHLTTASA-N 2 0 269.345 -1.142 20 0 CAADRP COC(=O)[C@@H]1CC[C@H]([NH2+]CCC(=O)N2CC[NH2+]CC2)CN1 ZINC001246107107 780544095 /nfs/dbraw/zinc/54/40/95/780544095.db2.gz GNCXMFJJAGXPRC-RYUDHWBXSA-N 2 0 298.387 -1.309 20 0 CAADRP COC(=O)[C@@H]1C[C@H]([NH2+]C[C@H]2CC3(C[NH2+]C3)CO2)CN1 ZINC001246123544 780544116 /nfs/dbraw/zinc/54/41/16/780544116.db2.gz FEDXONFDBQITMQ-AXFHLTTASA-N 2 0 269.345 -1.142 20 0 CAADRP COC(=O)[C@@H]1C[C@@H]([NH2+]CCCN2CC[NH2+]CC2)CN1 ZINC001246112172 780544138 /nfs/dbraw/zinc/54/41/38/780544138.db2.gz DEUSYLIHIALVKG-NEPJUHHUSA-N 2 0 270.377 -1.225 20 0 CAADRP NC(=O)C1(C[NH2+][C@@H]2CCNC3(C[NH2+]C3)C2)CCOCC1 ZINC001246095713 780544248 /nfs/dbraw/zinc/54/42/48/780544248.db2.gz RBUUDNNILYONAO-LLVKDONJSA-N 2 0 282.388 -1.048 20 0 CAADRP COC(=O)[C@@H]1C[C@@H]([NH2+]C[C@]2(O)CC[NH2+]C[C@@H]2F)CCN1 ZINC001246081222 780544349 /nfs/dbraw/zinc/54/43/49/780544349.db2.gz JEMQAOYUKSRMHJ-MRBYEJRBSA-N 2 0 289.351 -1.068 20 0 CAADRP C([NH2+][C@H]1CCNC2(C[NH2+]C2)C1)[C@H]1C[C@H]2C[NH2+]CCN2C1 ZINC001246124297 780544634 /nfs/dbraw/zinc/54/46/34/780544634.db2.gz ABAOCRPGVMDUBW-RDBSUJKOSA-N 3 0 279.432 -1.036 20 0 CAADRP COC(=O)[C@@H]1C[C@H]([NH2+]C[C@@H]2CC3(C[NH2+]C3)CO2)CN1 ZINC001246123545 780544780 /nfs/dbraw/zinc/54/47/80/780544780.db2.gz FEDXONFDBQITMQ-DCAQKATOSA-N 2 0 269.345 -1.142 20 0 CAADRP COC(=O)[C@@H]1CC[C@@H]([NH2+]C2(CO)CC[NH2+]CC2)CN1 ZINC001246119981 780544821 /nfs/dbraw/zinc/54/48/21/780544821.db2.gz YJBIGAFVSGSYJE-MNOVXSKESA-N 2 0 271.361 -1.016 20 0 CAADRP O=C1C[C@H]2[NH2+]CC[C@]2(NC2C[C@@H]3COC[C@H](C2)[NH2+]3)N1 ZINC001246144304 780545229 /nfs/dbraw/zinc/54/52/29/780545229.db2.gz KDWYZCDJEYUWJI-DGVQMENUSA-N 2 0 266.345 -1.327 20 0 CAADRP C([NH2+][C@@H]1CCNC2(C[NH2+]C2)C1)[C@@]12C[NH2+][C@@H](CO1)C2 ZINC001246150934 780545498 /nfs/dbraw/zinc/54/54/98/780545498.db2.gz UUUYYEJLHINILV-WZRBSPASSA-N 3 0 252.362 -1.199 20 0 CAADRP C1[NH2+]CC12C[C@H]([NH2+][C@@H]1[C@H]3C[NH2+]C[C@@H]1COC3)CCN2 ZINC001246146603 780545858 /nfs/dbraw/zinc/54/58/58/780545858.db2.gz GTYFJUXUCZHBPR-XQHKEYJVSA-N 3 0 266.389 -1.096 20 0 CAADRP O=C1C[C@@H]2[NH2+]CC[C@@]2(NC2C[C@@H]3COC[C@H](C2)[NH2+]3)N1 ZINC001246144311 780545913 /nfs/dbraw/zinc/54/59/13/780545913.db2.gz KDWYZCDJEYUWJI-ODFRNBSQSA-N 2 0 266.345 -1.327 20 0 CAADRP COC(=O)[C@@H]1C[C@@H]([NH2+]C[C@@H]2C[C@@H]3C[NH2+]C[C@@H]3O2)CN1 ZINC001246134985 780546039 /nfs/dbraw/zinc/54/60/39/780546039.db2.gz WUXNFYKWEVTRTF-GCHJQGSQSA-N 2 0 269.345 -1.144 20 0 CAADRP C([NH2+][C@H]1CCNC2(C[NH2+]C2)C1)c1nnn2c1C[NH2+]CCC2 ZINC001246133573 780546165 /nfs/dbraw/zinc/54/61/65/780546165.db2.gz OLNGUVVRQSSJCD-NSHDSACASA-N 3 0 291.403 -1.045 20 0 CAADRP COC(=O)[C@@H]1C[C@H]([NH2+]CC2(O)CC[NH2+]CC2)CN1 ZINC001246171137 780546668 /nfs/dbraw/zinc/54/66/68/780546668.db2.gz BWVLARNCQAAHIF-UWVGGRQHSA-N 2 0 257.334 -1.406 20 0 CAADRP O=C1C[C@@H]2[NH2+]CC[C@]2(N[C@H]2CCOC3(C[NH2+]C3)C2)N1 ZINC001246155400 780546753 /nfs/dbraw/zinc/54/67/53/780546753.db2.gz YFIITNIEYBUGRU-KWBADKCTSA-N 2 0 266.345 -1.325 20 0 CAADRP O=S1(=O)C=C[C@@H]([NH2+][C@@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246172064 780546979 /nfs/dbraw/zinc/54/69/79/780546979.db2.gz BGFQCSYASZMEBG-NXEZZACHSA-N 2 0 257.359 -1.019 20 0 CAADRP O=C1C[C@@H]2[NH2+]CC[C@]2(N[C@@H]2CCOC3(C[NH2+]C3)C2)N1 ZINC001246155401 780547011 /nfs/dbraw/zinc/54/70/11/780547011.db2.gz YFIITNIEYBUGRU-NRUUGDAUSA-N 2 0 266.345 -1.325 20 0 CAADRP OC1(C[NH2+][C@H]2CCNC3(C[NH2+]C3)C2)CC[NH2+]CC1 ZINC001246173929 780547144 /nfs/dbraw/zinc/54/71/44/780547144.db2.gz ODMPNZBKDTUSRB-NSHDSACASA-N 3 0 254.378 -1.216 20 0 CAADRP OCC1(CO)CC([NH2+][C@@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246213981 780548095 /nfs/dbraw/zinc/54/80/95/780548095.db2.gz HGCDNJVZAZWJQW-SNVBAGLBSA-N 2 0 255.362 -1.197 20 0 CAADRP O=C(NCC[NH2+][C@H]1CCNC2(C[NH2+]C2)C1)N1CCOCC1 ZINC001246212536 780548005 /nfs/dbraw/zinc/54/80/05/780548005.db2.gz VSSGHJAZBHIWSJ-LBPRGKRZSA-N 2 0 297.403 -1.288 20 0 CAADRP O[C@@]1(C[NH2+][C@@H]2CCNC3(C[NH2+]C3)C2)CCC[NH2+]C1 ZINC001246233055 780548128 /nfs/dbraw/zinc/54/81/28/780548128.db2.gz SIESOPHIIFNJGH-YPMHNXCESA-N 3 0 254.378 -1.216 20 0 CAADRP COC(=O)[C@H]1C[C@@H]([NH2+]C2CN(C3CC[NH2+]CC3)C2)CN1 ZINC001246214130 780548137 /nfs/dbraw/zinc/54/81/37/780548137.db2.gz ILWKIVIKAMTELA-ZWNOBZJWSA-N 2 0 282.388 -1.084 20 0 CAADRP O=C1C=CC(=O)N1CC[NH2+][C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246210398 780548298 /nfs/dbraw/zinc/54/82/98/780548298.db2.gz OOTVPHDFSMBAFW-JTQLQIEISA-N 2 0 264.329 -1.405 20 0 CAADRP COC(=O)[C@@H]1C[C@@H]([NH2+]C[C@@H](O)C2CC[NH2+]CC2)CN1 ZINC001246225209 780548308 /nfs/dbraw/zinc/54/83/08/780548308.db2.gz CZILVSSABRJNRC-GRYCIOLGSA-N 2 0 271.361 -1.160 20 0 CAADRP COC(=O)[C@@H](CCC[NH3+])N[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246215350 780548323 /nfs/dbraw/zinc/54/83/23/780548323.db2.gz SPDCDYOEIPTYSD-GHMZBOCLSA-N 2 0 270.377 -1.050 20 0 CAADRP O=C1C=CC(=O)N1CC[NH2+][C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246210406 780548606 /nfs/dbraw/zinc/54/86/06/780548606.db2.gz OOTVPHDFSMBAFW-SNVBAGLBSA-N 2 0 264.329 -1.405 20 0 CAADRP [NH3+]CCN1CC[NH+]([C@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246201346 780548822 /nfs/dbraw/zinc/54/88/22/780548822.db2.gz PDDZBVQQIWCNLJ-LBPRGKRZSA-N 3 0 253.394 -1.343 20 0 CAADRP OCCOCCOCC[NH2+][C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246215961 780548978 /nfs/dbraw/zinc/54/89/78/780548978.db2.gz ZHKILIUVFBBMOJ-LBPRGKRZSA-N 2 0 273.377 -1.305 20 0 CAADRP [NH3+]CCN1CC[NH+]([C@@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246200932 780548993 /nfs/dbraw/zinc/54/89/93/780548993.db2.gz PDDZBVQQIWCNLJ-GFCCVEGCSA-N 3 0 253.394 -1.343 20 0 CAADRP COC(=O)[C@@H]1C[C@H]([NH2+]C[C@@H](O)C2CC[NH2+]CC2)CN1 ZINC001246225211 780549059 /nfs/dbraw/zinc/54/90/59/780549059.db2.gz CZILVSSABRJNRC-SDDRHHMPSA-N 2 0 271.361 -1.160 20 0 CAADRP COC(=O)[C@H](C[NH3+])C[NH2+][C@H]1CC[C@@H](C(=O)OC)NC1 ZINC001246234461 780549442 /nfs/dbraw/zinc/54/94/42/780549442.db2.gz IGONFFMVKMYFGW-UTLUCORTSA-N 2 0 273.333 -1.383 20 0 CAADRP O=C1CO[C@H](C[NH2+][C@@H]2CCNC3(C[NH2+]C3)C2)CN1 ZINC001246259150 780549476 /nfs/dbraw/zinc/54/94/76/780549476.db2.gz ZLXFCLZFLKVQSP-NXEZZACHSA-N 2 0 254.334 -1.815 20 0 CAADRP COC(=O)[C@@H]1CC[C@H]([NH2+]C[C@]2(O)CCC[NH2+]C2)CN1 ZINC001246234803 780549532 /nfs/dbraw/zinc/54/95/32/780549532.db2.gz WOVKDVNGEKGSPN-GVXVVHGQSA-N 2 0 271.361 -1.016 20 0 CAADRP CN(C)S(=O)(=O)CC[NH2+][C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246245095 780549644 /nfs/dbraw/zinc/54/96/44/780549644.db2.gz MJAYPCDPBOQIGC-SNVBAGLBSA-N 2 0 276.406 -1.439 20 0 CAADRP CN(C)S(=O)(=O)CC[NH2+][C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246245089 780549912 /nfs/dbraw/zinc/54/99/12/780549912.db2.gz MJAYPCDPBOQIGC-JTQLQIEISA-N 2 0 276.406 -1.439 20 0 CAADRP CN1CCN(C(=O)CC[NH2+][C@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246257856 780550035 /nfs/dbraw/zinc/55/00/35/780550035.db2.gz YDZGHFMAVNVXAQ-ZDUSSCGKSA-N 2 0 295.431 -1.166 20 0 CAADRP COC(=O)[C@@H]1C[C@@H]([NH2+]C[C@@H]2CC[NH2+]C[C@H]2O)CN1 ZINC001246241359 780550061 /nfs/dbraw/zinc/55/00/61/780550061.db2.gz ZVNCZQBHTHOUPQ-ZRUFSTJUSA-N 2 0 257.334 -1.550 20 0 CAADRP OCC[C@@]1(N[C@@H]2CCNC3(C[NH2+]C3)C2)CC[NH2+]C1 ZINC001246297980 780551085 /nfs/dbraw/zinc/55/10/85/780551085.db2.gz YNJVYHKTJNWNHE-NEPJUHHUSA-N 2 0 254.378 -1.216 20 0 CAADRP CCOC(=O)[C@@H]1C[NH2+]C[C@H]1N[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246299371 780551137 /nfs/dbraw/zinc/55/11/37/780551137.db2.gz JOHAMTLIYDDHMA-IJLUTSLNSA-N 2 0 282.388 -1.179 20 0 CAADRP OCC[C@@]1(N[C@H]2CCNC3(C[NH2+]C3)C2)CC[NH2+]C1 ZINC001246297982 780551385 /nfs/dbraw/zinc/55/13/85/780551385.db2.gz YNJVYHKTJNWNHE-RYUDHWBXSA-N 2 0 254.378 -1.216 20 0 CAADRP COC(=O)[C@@H]1C[C@H]([NH2+]CCOCCOCC[NH3+])CN1 ZINC001246286403 780551394 /nfs/dbraw/zinc/55/13/94/780551394.db2.gz XJMHSBOZRKEXGM-QWRGUYRKSA-N 2 0 275.349 -1.529 20 0 CAADRP CS(=O)(=O)N1CC[C@@H]([NH2+][C@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246327544 780551707 /nfs/dbraw/zinc/55/17/07/780551707.db2.gz SNHDSOYYOYMHHR-WDEREUQCSA-N 2 0 288.417 -1.296 20 0 CAADRP COC(=O)[C@@H]1CNCC[C@@H]1[NH2+][C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246332087 780551757 /nfs/dbraw/zinc/55/17/57/780551757.db2.gz YXTMCWNLSYDVOR-UTUOFQBUSA-N 2 0 282.388 -1.179 20 0 CAADRP COC(=O)[C@@H](N)CC[NH2+][C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246330999 780551797 /nfs/dbraw/zinc/55/17/97/780551797.db2.gz AWNXMYUJRVXINL-UWVGGRQHSA-N 2 0 256.350 -1.440 20 0 CAADRP [NH3+]CCN(CC[NH2+][C@@H]1CCNC2(C[NH2+]C2)C1)N(O)N=O ZINC001246353890 780551895 /nfs/dbraw/zinc/55/18/95/780551895.db2.gz WBENCYHYQXLHHV-SNVBAGLBSA-N 3 0 287.368 -1.782 20 0 CAADRP COC(=O)[C@H](N)CC[NH2+][C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246331000 780552447 /nfs/dbraw/zinc/55/24/47/780552447.db2.gz AWNXMYUJRVXINL-VHSXEESVSA-N 2 0 256.350 -1.440 20 0 CAADRP COC(=O)[C@@H](N)CC[NH2+][C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246331001 780552587 /nfs/dbraw/zinc/55/25/87/780552587.db2.gz AWNXMYUJRVXINL-ZJUUUORDSA-N 2 0 256.350 -1.440 20 0 CAADRP COC(=O)[C@@H]1CC[C@@H]([NH2+][C@@H]2CC[NH2+]C[C@@H]2CO)CN1 ZINC001246320433 780552640 /nfs/dbraw/zinc/55/26/40/780552640.db2.gz IXBBTDFKSNKRMZ-KKOKHZNYSA-N 2 0 271.361 -1.160 20 0 CAADRP CS(=O)(=O)N1CC[C@H]([NH2+][C@@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246327541 780552710 /nfs/dbraw/zinc/55/27/10/780552710.db2.gz SNHDSOYYOYMHHR-MNOVXSKESA-N 2 0 288.417 -1.296 20 0 CAADRP O=C1C[C@@H](C[NH2+][C@H]2CCNC3(C[NH2+]C3)C2)C(=O)N1 ZINC001246313717 780552795 /nfs/dbraw/zinc/55/27/95/780552795.db2.gz SKJNMUKTQLZCKI-IUCAKERBSA-N 2 0 252.318 -1.667 20 0 CAADRP CNC(=O)CN1CCC([NH2+][C@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246360882 780553340 /nfs/dbraw/zinc/55/33/40/780553340.db2.gz UVOPGPQHFVTRLE-ZDUSSCGKSA-N 2 0 295.431 -1.120 20 0 CAADRP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]CCNCC[NH3+])CN1 ZINC001246406788 780553345 /nfs/dbraw/zinc/55/33/45/780553345.db2.gz USHSOXUUXFCLNW-MNOVXSKESA-N 2 0 258.366 -1.192 20 0 CAADRP [NH3+]CCCNCCC[NH2+][C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246450094 780553351 /nfs/dbraw/zinc/55/33/51/780553351.db2.gz APHBKPUKSDCQFE-LBPRGKRZSA-N 3 0 255.410 -1.002 20 0 CAADRP CNC(=O)CN1CCC([NH2+][C@@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246360876 780553381 /nfs/dbraw/zinc/55/33/81/780553381.db2.gz UVOPGPQHFVTRLE-CYBMUJFWSA-N 2 0 295.431 -1.120 20 0 CAADRP CCOC(=O)[C@H](N)C[NH2+][C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246414823 780553436 /nfs/dbraw/zinc/55/34/36/780553436.db2.gz CFHAKOMCRCFLPE-NXEZZACHSA-N 2 0 256.350 -1.440 20 0 CAADRP COC(=O)[C@H](CCC[NH3+])N[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246402028 780553515 /nfs/dbraw/zinc/55/35/15/780553515.db2.gz SPDCDYOEIPTYSD-MNOVXSKESA-N 2 0 270.377 -1.050 20 0 CAADRP CC[C@]1(C(=O)OC)C[C@H]([NH2+]CCNCC[NH3+])CN1 ZINC001246405403 780553554 /nfs/dbraw/zinc/55/35/54/780553554.db2.gz OMDAYNXMOMKPNN-CMPLNLGQSA-N 2 0 258.366 -1.192 20 0 CAADRP CCOC(=O)[C@H](N)C[NH2+][C@@H]1CCOC2(C[NH2+]C2)C1 ZINC001246414750 780553652 /nfs/dbraw/zinc/55/36/52/780553652.db2.gz BOZIAWMVROUUBP-NXEZZACHSA-N 2 0 257.334 -1.013 20 0 CAADRP NC(=O)[C@@H]([NH3+])CCCC[NH2+][C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246420073 780553764 /nfs/dbraw/zinc/55/37/64/780553764.db2.gz WDLPHWDSNVZAKD-QWRGUYRKSA-N 3 0 269.393 -1.347 20 0 CAADRP NC(=O)[C@@H]([NH3+])CCCC[NH2+][C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246419939 780553781 /nfs/dbraw/zinc/55/37/81/780553781.db2.gz WDLPHWDSNVZAKD-MNOVXSKESA-N 3 0 269.393 -1.347 20 0 CAADRP COC(=O)[C@@H]1CC[C@H]([NH2+]CCCC[C@H]([NH3+])C(N)=O)CN1 ZINC001246402875 780553872 /nfs/dbraw/zinc/55/38/72/780553872.db2.gz BVDSXYHPZYLOEL-DCAQKATOSA-N 2 0 286.376 -1.148 20 0 CAADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+]CCNCC[NH3+])CN1 ZINC001246406790 780553889 /nfs/dbraw/zinc/55/38/89/780553889.db2.gz USHSOXUUXFCLNW-QWRGUYRKSA-N 2 0 258.366 -1.192 20 0 CAADRP [NH3+]CCNCCN[C@@H]1C[NH2+][C@H](C(=O)N2CCSC2)C1 ZINC001246403819 780553979 /nfs/dbraw/zinc/55/39/79/780553979.db2.gz IAYUWFMUGHGRAM-QWRGUYRKSA-N 2 0 287.433 -1.612 20 0 CAADRP [NH3+]CCCNCCC[NH2+][C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246450089 780554022 /nfs/dbraw/zinc/55/40/22/780554022.db2.gz APHBKPUKSDCQFE-GFCCVEGCSA-N 3 0 255.410 -1.002 20 0 CAADRP NC(=O)[C@@H]([NH3+])CCCC[NH2+][C@@H]1CCS(=O)(=O)C1 ZINC001246412422 780554214 /nfs/dbraw/zinc/55/42/14/780554214.db2.gz DBYYECLTMARBGO-BDAKNGLRSA-N 2 0 263.363 -1.254 20 0 CAADRP COC(=O)[C@@H]1CC[C@@H](N[C@H]2C[NH2+]CC[C@H]2[NH3+])CN1 ZINC001246498142 780554624 /nfs/dbraw/zinc/55/46/24/780554624.db2.gz UIGKSEFITDPNST-ZNSHCXBVSA-N 2 0 256.350 -1.441 20 0 CAADRP O=S1(=O)CCCN1CC[NH2+][C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246471342 780555111 /nfs/dbraw/zinc/55/51/11/780555111.db2.gz ADVXBXJOFRRICX-NSHDSACASA-N 2 0 288.417 -1.295 20 0 CAADRP O=C([C@@H]1C[C@H](NC[C@H]2C[NH2+]CCN2)C[NH2+]1)N1CCSC1 ZINC001246493426 780555434 /nfs/dbraw/zinc/55/54/34/780555434.db2.gz ZAGVDECNEUHEJJ-TUAOUCFPSA-N 2 0 299.444 -1.599 20 0 CAADRP O=C([C@@H]1C[C@H](NC[C@@H]2C[NH2+]CCN2)C[NH2+]1)N1CCSC1 ZINC001246493390 780555843 /nfs/dbraw/zinc/55/58/43/780555843.db2.gz ZAGVDECNEUHEJJ-SRVKXCTJSA-N 2 0 299.444 -1.599 20 0 CAADRP OC[C@@H]1CC[N@@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)C[C@@H]1O ZINC001246575500 780556240 /nfs/dbraw/zinc/55/62/40/780556240.db2.gz MPUCFURJRIZVPD-TUAOUCFPSA-N 2 0 255.362 -1.245 20 0 CAADRP O[C@@H]1CCC[C@H](O)[C@H]1[NH2+][C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246526490 780556288 /nfs/dbraw/zinc/55/62/88/780556288.db2.gz QTKLSNISZSVMNP-NNYUYHANSA-N 2 0 255.362 -1.056 20 0 CAADRP COC(=O)[C@@H]1C[C@@H]([N@@H+]2C[C@H](O)[C@@H](C[NH3+])C2)CCN1 ZINC001246581136 780556370 /nfs/dbraw/zinc/55/63/70/780556370.db2.gz PVOKGGUOZPSTIM-NAKRPEOUSA-N 2 0 257.334 -1.469 20 0 CAADRP OC[C@@H]1C[N@@H+]([C@H]2CCNC3(C[NH2+]C3)C2)CC[C@@H]1O ZINC001246588856 780556537 /nfs/dbraw/zinc/55/65/37/780556537.db2.gz LKQOEGAFYNXGMS-SRVKXCTJSA-N 2 0 255.362 -1.245 20 0 CAADRP OC[C@@H]1C[N@@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)CC[C@H]1O ZINC001246588854 780556629 /nfs/dbraw/zinc/55/66/29/780556629.db2.gz LKQOEGAFYNXGMS-QJPTWQEYSA-N 2 0 255.362 -1.245 20 0 CAADRP C[C@H](CC(=O)N1CCOCC1)[N@@H+]1C[C@@H](O)[C@@H](C[NH3+])C1 ZINC001246575363 780556920 /nfs/dbraw/zinc/55/69/20/780556920.db2.gz CDAITZMYSNKUFD-GRYCIOLGSA-N 2 0 271.361 -1.125 20 0 CAADRP NC(=O)[C@@H]([NH3+])Cc1cn([C@H]2CCNC3(C[NH2+]C3)C2)cn1 ZINC001246527884 780557195 /nfs/dbraw/zinc/55/71/95/780557195.db2.gz ZJQYTQCGMBJHKP-QWRGUYRKSA-N 2 0 278.360 -1.495 20 0 CAADRP C[C@@H]1O[C@@H](OCC[NH2+]C2CC[NH2+]CC2)[C@@H](O)[C@H](O)[C@@H]1O ZINC001246527699 780557238 /nfs/dbraw/zinc/55/72/38/780557238.db2.gz UINKWFLMXNGQQG-ZYJFBCHUSA-N 2 0 290.360 -1.828 20 0 CAADRP CNC(=O)[C@H](CCCC[NH3+])[NH2+][C@@H]1CN[C@@H](C(=O)OC)C1 ZINC001246513272 780557545 /nfs/dbraw/zinc/55/75/45/780557545.db2.gz SCZATNGTVKEYJO-GARJFASQSA-N 2 0 286.376 -1.277 20 0 CAADRP O=C1CN([C@@H]2CCNC3(C[NH2+]C3)C2)[C@]2(CC[NH2+]C2)CN1 ZINC001246627760 780560763 /nfs/dbraw/zinc/56/07/63/780560763.db2.gz ZOMOOWGZWUQZOQ-RISCZKNCSA-N 2 0 279.388 -1.756 20 0 CAADRP O=C1CN(C2C[NH+]([C@H]3CCNC4(C[NH2+]C4)C3)C2)CCN1 ZINC001246818960 780561312 /nfs/dbraw/zinc/56/13/12/780561312.db2.gz GKYRVSIHEYVHEK-NSHDSACASA-N 2 0 279.388 -1.804 20 0 CAADRP COC(=O)[C@@H]1C[C@H]([NH3+])CN([C@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246797041 780561500 /nfs/dbraw/zinc/56/15/00/780561500.db2.gz KJAAPIOQPXOXEH-WOPDTQHZSA-N 2 0 282.388 -1.097 20 0 CAADRP NC(=O)[C@H]1C[N@@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)CCN1 ZINC001246799316 780561543 /nfs/dbraw/zinc/56/15/43/780561543.db2.gz YEGBWZGTUIFDST-NXEZZACHSA-N 2 0 253.350 -2.161 20 0 CAADRP COC(=O)[C@@H]1C[N@@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)CCN1 ZINC001246691834 780561578 /nfs/dbraw/zinc/56/15/78/780561578.db2.gz GAQKNQRZLHSSRD-MNOVXSKESA-N 2 0 268.361 -1.473 20 0 CAADRP NC(=O)N1CC[NH+]([C@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246773735 780561876 /nfs/dbraw/zinc/56/18/76/780561876.db2.gz BSDSPPRFDYJXQU-JTQLQIEISA-N 2 0 253.350 -1.223 20 0 CAADRP COC(=O)C[C@@H]1C[NH2+]CCN1[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246811933 780561931 /nfs/dbraw/zinc/56/19/31/780561931.db2.gz AGYRNWRDDMRWSN-NWDGAFQWSA-N 2 0 282.388 -1.083 20 0 CAADRP COC(=O)C[C@H]1C[NH2+]CCN1[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246811934 780562090 /nfs/dbraw/zinc/56/20/90/780562090.db2.gz AGYRNWRDDMRWSN-RYUDHWBXSA-N 2 0 282.388 -1.083 20 0 CAADRP C[N@@H+]1CC[C@@H](N2CC[NH2+]CCNCC[NH2+]CC2)C1 ZINC001246819688 780562628 /nfs/dbraw/zinc/56/26/28/780562628.db2.gz HQIMGSBBLJWSIR-CYBMUJFWSA-N 3 0 255.410 -1.225 20 0 CAADRP C1OC[C@@H]2CC(N3CC[NH2+]CCNCC[NH2+]CC3)C[C@H]1[NH2+]2 ZINC001246820636 780562680 /nfs/dbraw/zinc/56/26/80/780562680.db2.gz KQVJOVWLUHWENG-YIONKMFJSA-N 3 0 297.447 -1.410 20 0 CAADRP C[C@H]1C[C@@H](N2CC[NH2+]CCNCC[NH2+]CC2)C[NH2+]1 ZINC001246819014 780562707 /nfs/dbraw/zinc/56/27/07/780562707.db2.gz FLCWFSIXAKWFJM-QWHCGFSZSA-N 3 0 255.410 -1.179 20 0 CAADRP CCOC(=O)[C@@H]1C[C@H](N(CC[NH3+])CC[NH3+])CCN1 ZINC001246831332 780562739 /nfs/dbraw/zinc/56/27/39/780562739.db2.gz NLYICQNPKFMXCP-MNOVXSKESA-N 2 0 258.366 -1.111 20 0 CAADRP CN1CCN(C2C[NH+]([C@H]3CCNC4(C[NH2+]C4)C3)C2)CC1=O ZINC001246825556 780562777 /nfs/dbraw/zinc/56/27/77/780562777.db2.gz VVVZBRUEZSLYGA-LBPRGKRZSA-N 2 0 293.415 -1.461 20 0 CAADRP CC(=O)N1CC[C@H](N2CC[NH2+]CCNCC[NH2+]CC2)C1 ZINC001246821210 780562815 /nfs/dbraw/zinc/56/28/15/780562815.db2.gz MROHVTLXPSWBSQ-AWEZNQCLSA-N 2 0 283.420 -1.308 20 0 CAADRP C1[NH2+]CC12C[C@@H](N1CC[NH2+]CCNCC[NH2+]CC1)CCO2 ZINC001246823215 780562847 /nfs/dbraw/zinc/56/28/47/780562847.db2.gz URLYNYLNWSFNLF-AWEZNQCLSA-N 3 0 297.447 -1.408 20 0 CAADRP CC[C@@]1(C(=O)OC)C[C@@H](N(CC[NH3+])CC[NH3+])CN1 ZINC001246830680 780562865 /nfs/dbraw/zinc/56/28/65/780562865.db2.gz LJWJVIOSPPLMKF-PWSUYJOCSA-N 2 0 258.366 -1.111 20 0 CAADRP COC(=O)[C@@H]1C[C@@H]([NH3+])CN1[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246833914 780562895 /nfs/dbraw/zinc/56/28/95/780562895.db2.gz HJUOHURQFYARAP-MXWKQRLJSA-N 2 0 268.361 -1.345 20 0 CAADRP CC[C@]1(C(=O)OC)C[C@@H](N(CC[NH3+])CC[NH3+])CN1 ZINC001246830681 780562903 /nfs/dbraw/zinc/56/29/03/780562903.db2.gz LJWJVIOSPPLMKF-ZYHUDNBSSA-N 2 0 258.366 -1.111 20 0 CAADRP [NH3+]CCN(CC[NH3+])[C@H]1C[NH2+][C@H](C(=O)N2CCSC2)C1 ZINC001246828649 780562970 /nfs/dbraw/zinc/56/29/70/780562970.db2.gz BZVXIKMFOJYSPW-MNOVXSKESA-N 3 0 287.433 -1.531 20 0 CAADRP O=C1C[C@H](N2CC[NH2+]CCNCC[NH2+]CC2)CN1 ZINC001246822945 780563084 /nfs/dbraw/zinc/56/30/84/780563084.db2.gz TYTVNBDVGUPVKM-NSHDSACASA-N 2 0 255.366 -2.041 20 0 CAADRP COC(=O)[C@@H]1C[NH2+]CCN1[C@H]1CCOC2(C[NH2+]C2)C1 ZINC001246856902 780563097 /nfs/dbraw/zinc/56/30/97/780563097.db2.gz IAMAMTBFBCUHRM-QWRGUYRKSA-N 2 0 269.345 -1.046 20 0 CAADRP CCOC(=O)[C@@H]1CC[C@@H](N(CC[NH3+])CC[NH3+])CN1 ZINC001246831368 780563286 /nfs/dbraw/zinc/56/32/86/780563286.db2.gz NRLDOSIZXFTYKM-MNOVXSKESA-N 2 0 258.366 -1.111 20 0 CAADRP CN1CCN(C2C[NH+]([C@@H]3CCNC4(C[NH2+]C4)C3)C2)CC1=O ZINC001246825528 780563416 /nfs/dbraw/zinc/56/34/16/780563416.db2.gz VVVZBRUEZSLYGA-GFCCVEGCSA-N 2 0 293.415 -1.461 20 0 CAADRP COC(=O)[C@H]1C[C@@H](N2CC[NH2+]CCNCC[NH2+]CC2)CN1 ZINC001246822825 780563594 /nfs/dbraw/zinc/56/35/94/780563594.db2.gz SVZUPXORDNOPSX-CHWSQXEVSA-N 2 0 299.419 -2.026 20 0 CAADRP COC(=O)[C@@H]1C[N@@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)C[C@H]1N ZINC001246929782 780563890 /nfs/dbraw/zinc/56/38/90/780563890.db2.gz HQAHSXIRMJHCLW-GMTAPVOTSA-N 2 0 268.361 -1.488 20 0 CAADRP [NH3+]CCCNC(=O)CN(CCC[NH3+])[C@H]1CC[NH2+]C1 ZINC001246925704 780563940 /nfs/dbraw/zinc/56/39/40/780563940.db2.gz OPUMDPKXTVEIRT-NSHDSACASA-N 3 0 257.382 -1.536 20 0 CAADRP COC(=O)[C@@H]1C[C@H]([NH3+])CN1[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246903019 780564251 /nfs/dbraw/zinc/56/42/51/780564251.db2.gz HJUOHURQFYARAP-AXFHLTTASA-N 2 0 268.361 -1.345 20 0 CAADRP O=C1COC[C@@H]2C[N@@H+]([C@H]3CCNC4(C[NH2+]C4)C3)CCN12 ZINC001246872336 780564261 /nfs/dbraw/zinc/56/42/61/780564261.db2.gz ROUCLEUGWFLHAW-RYUDHWBXSA-N 2 0 280.372 -1.377 20 0 CAADRP C[C@@H]1C[C@@H](N(CCC[NH3+])CC(=O)NCCC[NH3+])C[NH2+]1 ZINC001246926067 780564369 /nfs/dbraw/zinc/56/43/69/780564369.db2.gz ROXVGMRXOZIVGB-VXGBXAGGSA-N 3 0 271.409 -1.147 20 0 CAADRP COC(=O)[C@@]1(N)CC[N@@H+]([C@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246928438 780564500 /nfs/dbraw/zinc/56/45/00/780564500.db2.gz ZNRZPHBCFWJWIE-GXFFZTMASA-N 2 0 268.361 -1.343 20 0 CAADRP [NH3+]CCCNC(=O)CN(CCC[NH3+])[C@H]1CCC[NH2+]C1 ZINC001246922838 780564741 /nfs/dbraw/zinc/56/47/41/780564741.db2.gz YBVDLLPDWDPADV-LBPRGKRZSA-N 3 0 271.409 -1.146 20 0 CAADRP O=C1COC[C@@H]2C[N@@H+]([C@@H]3CCNC4(C[NH2+]C4)C3)CCN12 ZINC001246872296 780564819 /nfs/dbraw/zinc/56/48/19/780564819.db2.gz ROUCLEUGWFLHAW-NEPJUHHUSA-N 2 0 280.372 -1.377 20 0 CAADRP [NH3+]CCCNC(=O)CN(CCC[NH3+])[C@@H]1CNC(=O)C1 ZINC001246923567 780564829 /nfs/dbraw/zinc/56/48/29/780564829.db2.gz CCPXUQTUMISPKK-JTQLQIEISA-N 2 0 271.365 -2.009 20 0 CAADRP COC(=O)[C@@H]1C[N@@H+]([C@H]2CCNC3(C[NH2+]C3)C2)C[C@H]1N ZINC001246929784 780564920 /nfs/dbraw/zinc/56/49/20/780564920.db2.gz HQAHSXIRMJHCLW-HBNTYKKESA-N 2 0 268.361 -1.488 20 0 CAADRP C[C@H]1C[C@@H](N(CCC[NH3+])CC(=O)NCCC[NH3+])C[NH2+]1 ZINC001246926063 780565034 /nfs/dbraw/zinc/56/50/34/780565034.db2.gz ROXVGMRXOZIVGB-NWDGAFQWSA-N 3 0 271.409 -1.147 20 0 CAADRP COC(=O)[C@@H]1C[N@@H+]([C@@H]2CCOC3(C[NH2+]C3)C2)C[C@H]1N ZINC001246929936 780565117 /nfs/dbraw/zinc/56/51/17/780565117.db2.gz ITBUPACFQRVUEY-GMTAPVOTSA-N 2 0 269.345 -1.061 20 0 CAADRP COC(=O)[C@H]1CN(C2C[C@@H]3COC[C@H](C2)[NH2+]3)C[C@@H]1[NH3+] ZINC001246932494 780565674 /nfs/dbraw/zinc/56/56/74/780565674.db2.gz PPYZIUHOHCRSHK-CFKCVQHJSA-N 2 0 269.345 -1.062 20 0 CAADRP COC(=O)[C@H]1CN([C@H]2CCNC3(C[NH2+]C3)C2)CC[C@@H]1[NH3+] ZINC001246949752 780565751 /nfs/dbraw/zinc/56/57/51/780565751.db2.gz UYDUGHIXWVLMRY-SRVKXCTJSA-N 2 0 282.388 -1.097 20 0 CAADRP [NH3+][C@@H]1CN([C@H]2CCNC3(C[NH2+]C3)C2)CC12COC2 ZINC001246990792 780566039 /nfs/dbraw/zinc/56/60/39/780566039.db2.gz QPSQBPUNONXYRO-WDEREUQCSA-N 2 0 252.362 -1.260 20 0 CAADRP COC(=O)[C@@H]1CN(C2C[C@@H]3COC[C@H](C2)[NH2+]3)C[C@@H]1[NH3+] ZINC001246932497 780566151 /nfs/dbraw/zinc/56/61/51/780566151.db2.gz PPYZIUHOHCRSHK-RTWBTXMESA-N 2 0 269.345 -1.062 20 0 CAADRP CC[NH+](CC)C[C@H](O)C[NH2+]C[C@@H]1CC(=O)NC1=O ZINC001253209967 780591956 /nfs/dbraw/zinc/59/19/56/780591956.db2.gz JZDFUIASALYRJJ-VHSXEESVSA-N 2 0 257.334 -1.059 20 0 CAADRP CC[NH+](CC)C[C@@H](O)C[NH2+]C[C@@H]1CC(=O)NC1=O ZINC001253209966 780592367 /nfs/dbraw/zinc/59/23/67/780592367.db2.gz JZDFUIASALYRJJ-UWVGGRQHSA-N 2 0 257.334 -1.059 20 0 CAADRP O=C(CC[NH2+]C[C@H](O)CO)NCCc1c[nH]cn1 ZINC001252072747 780582696 /nfs/dbraw/zinc/58/26/96/780582696.db2.gz CTXGIYXCPDOCLR-JTQLQIEISA-N 2 0 256.306 -1.599 20 0 CAADRP CC[NH+](CC)C[C@H](O)C[NH2+]C[C@H]1CC(=O)NC1=O ZINC001253209965 780592153 /nfs/dbraw/zinc/59/21/53/780592153.db2.gz JZDFUIASALYRJJ-NXEZZACHSA-N 2 0 257.334 -1.059 20 0 CAADRP CN(C[C@@H](O)C[NH2+]CCO)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001278756458 780597855 /nfs/dbraw/zinc/59/78/55/780597855.db2.gz PSVOSFPQDLUCGD-QWHCGFSZSA-N 2 0 285.388 -1.271 20 0 CAADRP [NH3+]CCN(CC[NH2+][C@@H]1CCS(=O)(=O)C1)N(O)N=O ZINC001254325598 780603488 /nfs/dbraw/zinc/60/34/88/780603488.db2.gz YKXZSMNJJGYJJE-MRVPVSSYSA-N 2 0 281.338 -1.689 20 0 CAADRP CN(C[C@H](O)C[NH2+]CCO)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001278833670 780611166 /nfs/dbraw/zinc/61/11/66/780611166.db2.gz VNIQMNXFNLEQFC-WDEREUQCSA-N 2 0 259.350 -1.661 20 0 CAADRP NC(=O)CNC(=O)C[NH2+]C1CCC([NH+]2CCOCC2)CC1 ZINC001256688228 780625703 /nfs/dbraw/zinc/62/57/03/780625703.db2.gz ULTRFKQYQVRFNP-UHFFFAOYSA-N 2 0 298.387 -1.179 20 0 CAADRP OCC(CO)(CO)[NH2+]C1CCC([NH+]2CCOCC2)CC1 ZINC001256679282 780625895 /nfs/dbraw/zinc/62/58/95/780625895.db2.gz IFBNBDHYQLEPGA-UHFFFAOYSA-N 2 0 288.388 -1.065 20 0 CAADRP O=C([C@H]1C[NH2+]CCO1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC001261459540 780664990 /nfs/dbraw/zinc/66/49/90/780664990.db2.gz SAFTVJFATZZOQE-NWDGAFQWSA-N 2 0 268.361 -1.519 20 0 CAADRP COC(=O)C[C@H]([NH3+])C(=O)N[C@@H](CC[NH3+])C(F)F ZINC001261472587 780665303 /nfs/dbraw/zinc/66/53/03/780665303.db2.gz QKVCLXBLJBNNIJ-WDSKDSINSA-N 2 0 253.249 -1.025 20 0 CAADRP CN(C)C[C@H](CO)[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC001261483059 780666734 /nfs/dbraw/zinc/66/67/34/780666734.db2.gz HDNIXTAYDUNXNC-OLZOCXBDSA-N 2 0 274.409 -1.893 20 0 CAADRP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C[NH3+])cn1 ZINC001261502522 780667247 /nfs/dbraw/zinc/66/72/47/780667247.db2.gz PDMFDSBOCBUPAV-UHFFFAOYSA-N 2 0 268.321 -1.542 20 0 CAADRP O=C1NC2(CC[NH2+]CC2)C(=O)N1C[C@@H]1C[NH2+]CCO1 ZINC001261578660 780672853 /nfs/dbraw/zinc/67/28/53/780672853.db2.gz LFZCPIVTYQGNRP-VIFPVBQESA-N 2 0 268.317 -1.351 20 0 CAADRP O=c1c2c(ncn1C[C@H]1C[NH2+]CCO1)CC[NH2+]CC2 ZINC001261578662 780672903 /nfs/dbraw/zinc/67/29/03/780672903.db2.gz LGJFCLLLSXGLQU-SNVBAGLBSA-N 2 0 264.329 -1.080 20 0 CAADRP C[NH+](C)CCn1cc(NC(=O)C(=O)N[C@H]2CC[NH2+]C2)cn1 ZINC001261630719 780674015 /nfs/dbraw/zinc/67/40/15/780674015.db2.gz UUAOSZPAYFKZIT-JTQLQIEISA-N 2 0 294.359 -1.139 20 0 CAADRP CN(C1CC[NH2+]CC1)S(=O)(=O)N[C@@H]1CC[NH2+]C1 ZINC001261853523 780691360 /nfs/dbraw/zinc/69/13/60/780691360.db2.gz KCEUKSKKKFDHRV-SECBINFHSA-N 2 0 262.379 -1.134 20 0 CAADRP [NH3+][C@@H]1CCO[C@@H]1C(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC001262008734 780695860 /nfs/dbraw/zinc/69/58/60/780695860.db2.gz WNUVUIIBVSIKIT-UTUOFQBUSA-N 2 0 268.361 -1.391 20 0 CAADRP CN(C)S(=O)(=O)CCN1CC[NH2+]CC[NH2+]CC1 ZINC001262194791 780703065 /nfs/dbraw/zinc/70/30/65/780703065.db2.gz CVNMICHKETXXEB-UHFFFAOYSA-N 2 0 264.395 -1.627 20 0 CAADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)[C@H]([NH3+])CO ZINC001263111773 780721563 /nfs/dbraw/zinc/72/15/63/780721563.db2.gz NXZZHHQGLYCXNJ-WDEREUQCSA-N 2 0 259.350 -1.125 20 0 CAADRP CN1CC[C@H]1C[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC001262491813 780711864 /nfs/dbraw/zinc/71/18/64/780711864.db2.gz POTPNMUUGOXZNU-STQMWFEESA-N 2 0 256.394 -1.112 20 0 CAADRP [NH3+]CC(=O)N1CCC[C@H](CN2CC[NH2+]CC[NH2+]CC2)C1 ZINC001262488069 780712083 /nfs/dbraw/zinc/71/20/83/780712083.db2.gz PAWFQXCNCRQLBT-CYBMUJFWSA-N 3 0 283.420 -1.322 20 0 CAADRP CN1CC[C@@H]1C[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC001262491811 780712108 /nfs/dbraw/zinc/71/21/08/780712108.db2.gz POTPNMUUGOXZNU-OLZOCXBDSA-N 2 0 256.394 -1.112 20 0 CAADRP C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2C[N@H+](C)CCN2C)C[C@H]1[NH3+] ZINC001262542445 780713951 /nfs/dbraw/zinc/71/39/51/780713951.db2.gz AONUCKWNMLWBEG-IJLUTSLNSA-N 2 0 297.403 -1.846 20 0 CAADRP C[NH+](C)CCNC(=O)[C@@H]1CCCN(CC[NH3+])C1=O ZINC001263107994 780721018 /nfs/dbraw/zinc/72/10/18/780721018.db2.gz LMUTVEUMCKTCIG-JTQLQIEISA-N 2 0 256.350 -1.139 20 0 CAADRP C[NH2+]C[C@H](O)[C@@H](C)C(=O)NCCOCC[NH+](C)C ZINC001263117086 780721030 /nfs/dbraw/zinc/72/10/30/780721030.db2.gz QXBYWLMZOZECJG-MNOVXSKESA-N 2 0 261.366 -1.103 20 0 CAADRP COCC[N@@H+]1CCCN(C(=O)CNCC[NH3+])CC1 ZINC001263110651 780721283 /nfs/dbraw/zinc/72/12/83/780721283.db2.gz CUFRZANFOIANFP-UHFFFAOYSA-N 2 0 258.366 -1.285 20 0 CAADRP O=C(NCC1=CC[NH2+]CC1)[C@H]1CC(=O)N(C2C[NH2+]C2)C1 ZINC001263105970 780721355 /nfs/dbraw/zinc/72/13/55/780721355.db2.gz GOLMUSCTEBXQRC-NSHDSACASA-N 2 0 278.356 -1.157 20 0 CAADRP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)[C@H]([NH3+])CO ZINC001263111772 780721406 /nfs/dbraw/zinc/72/14/06/780721406.db2.gz NXZZHHQGLYCXNJ-GHMZBOCLSA-N 2 0 259.350 -1.125 20 0 CAADRP C[NH2+]C[C@H](C)NC(=O)[C@H]1CCCN(CC[NH3+])C1=O ZINC001263161458 780722641 /nfs/dbraw/zinc/72/26/41/780722641.db2.gz GTOSHKRRTNXRGY-VHSXEESVSA-N 2 0 256.350 -1.092 20 0 CAADRP [NH3+][C@@H](CC(F)F)C(=O)N1CCNCC[NH2+]CC1 ZINC001263211187 780724835 /nfs/dbraw/zinc/72/48/35/780724835.db2.gz ICGXJGDZOGQONQ-QMMMGPOBSA-N 2 0 250.293 -1.010 20 0 CAADRP [NH3+][C@H](CC(F)F)C(=O)N1CCNCC[NH2+]CC1 ZINC001263211186 780724956 /nfs/dbraw/zinc/72/49/56/780724956.db2.gz ICGXJGDZOGQONQ-MRVPVSSYSA-N 2 0 250.293 -1.010 20 0 CAADRP [NH3+]C[C@H]1C[C@H](NC(=O)[C@H]2CC(=O)N(C3C[NH2+]C3)C2)C1 ZINC001263252625 780726286 /nfs/dbraw/zinc/72/62/86/780726286.db2.gz XECSUSMASTYGSS-GUBZILKMSA-N 2 0 266.345 -1.340 20 0 CAADRP C[NH2+]C[C@H](O)[C@H](C)C(=O)N1CC[NH2+]C[C@H]1COC ZINC001263262120 780726880 /nfs/dbraw/zinc/72/68/80/780726880.db2.gz YMLNPQIUZDGWFR-DCAQKATOSA-N 2 0 259.350 -1.350 20 0 CAADRP CC[NH+](CC)CC(=O)NCC[NH2+][C@H]1CCC(=O)NC1=O ZINC001135511184 781373237 /nfs/dbraw/zinc/37/32/37/781373237.db2.gz KMKOIATXYJVWDG-JTQLQIEISA-N 2 0 284.360 -1.161 20 0 CAADRP CC[NH+](CC)CC(=O)NCC[NH2+][C@H](C)C(=O)NC(N)=O ZINC001135512844 781373980 /nfs/dbraw/zinc/37/39/80/781373980.db2.gz AFGNWOZFYCMSTI-SECBINFHSA-N 2 0 287.364 -1.383 20 0 CAADRP CC[NH+](CC)CC(=O)NCC[NH2+][C@H]1CCNC1=O ZINC001135511679 781374147 /nfs/dbraw/zinc/37/41/47/781374147.db2.gz YLKUKBBECFXADB-JTQLQIEISA-N 2 0 256.350 -1.078 20 0 CAADRP C[C@H](C[C@@H](C)[NH2+]CC(N)=O)NC(=O)COCC[NH+](C)C ZINC001135922797 781389346 /nfs/dbraw/zinc/38/93/46/781389346.db2.gz BKRHNGQIBZUVEG-GHMZBOCLSA-N 2 0 288.392 -1.077 20 0 CAADRP NC(=O)[C@@H]([NH3+])CCCC[NH2+]C[C@@H](O)CN1CCOCC1 ZINC001246006097 781397833 /nfs/dbraw/zinc/39/78/33/781397833.db2.gz HDNOQYZQELZOTJ-NEPJUHHUSA-N 2 0 288.392 -1.748 20 0 CAADRP [NH3+]C[C@H]1C[N@H+](C[C@@H](O)CC2(O)CC[NH2+]CC2)C[C@@H]1O ZINC001246019528 781398542 /nfs/dbraw/zinc/39/85/42/781398542.db2.gz FUJGLEIYNLDREW-SRVKXCTJSA-N 3 0 273.377 -1.897 20 0 CAADRP O=S1(=O)CC[C@H]([NH2+]C[C@]2(O)CC[NH2+]C[C@@H]2F)C1 ZINC001246080980 781402309 /nfs/dbraw/zinc/40/23/09/781402309.db2.gz IAJZRJQCWFXDBT-LPEHRKFASA-N 2 0 266.338 -1.174 20 0 CAADRP COC(=O)[C@@H]1CC[C@@H]([NH2+]C[C@]2(O)CC[NH2+]C[C@@H]2F)CN1 ZINC001246090754 781404545 /nfs/dbraw/zinc/40/45/45/781404545.db2.gz YXVSEOUVHVXDFT-MPPDQPJWSA-N 2 0 289.351 -1.068 20 0 CAADRP COC(=O)[C@@H](N[C@@H]1CCNC2(C[NH2+]C2)C1)C(C)(C)[NH3+] ZINC001246124653 781409088 /nfs/dbraw/zinc/40/90/88/781409088.db2.gz GBKOVUDPWALGNA-NXEZZACHSA-N 2 0 270.377 -1.051 20 0 CAADRP C[NH+](C)[C@@H](C(=O)NCCC[NH2+]CC(=O)NC(N)=O)C1CC1 ZINC001159917523 781409590 /nfs/dbraw/zinc/40/95/90/781409590.db2.gz YVAWIBQUXMKNHX-LLVKDONJSA-N 2 0 299.375 -1.383 20 0 CAADRP COC(=O)[C@@H](N[C@H]1CCNC2(C[NH2+]C2)C1)C(C)(C)[NH3+] ZINC001246124702 781410077 /nfs/dbraw/zinc/41/00/77/781410077.db2.gz GBKOVUDPWALGNA-VHSXEESVSA-N 2 0 270.377 -1.051 20 0 CAADRP O=S1(=O)C=C[C@H]([NH2+][C@@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246172076 781411693 /nfs/dbraw/zinc/41/16/93/781411693.db2.gz BGFQCSYASZMEBG-ZJUUUORDSA-N 2 0 257.359 -1.019 20 0 CAADRP O=C(Cc1c[nH]cn1)N[C@@H]1CC[N@@H+](CCO)C[C@@H]1O ZINC001090601476 781411975 /nfs/dbraw/zinc/41/19/75/781411975.db2.gz RSVVIZDCKGVBNA-MNOVXSKESA-N 2 0 268.317 -1.504 20 0 CAADRP O=C(C[NH2+][C@H]1CCNC2(C[NH2+]C2)C1)N1CCOCC1 ZINC001246171142 781412315 /nfs/dbraw/zinc/41/23/15/781412315.db2.gz CAOPUJYUGDLPJK-NSHDSACASA-N 2 0 268.361 -1.471 20 0 CAADRP COC(=O)[C@@H]1C[C@H]([NH2+]C2CCN(CCO)CC2)CN1 ZINC001246228884 781416362 /nfs/dbraw/zinc/41/63/62/781416362.db2.gz HFEIGJBMTXLTEA-RYUDHWBXSA-N 2 0 271.361 -1.064 20 0 CAADRP COC(=O)[C@H](C[NH3+])C[NH2+][C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246236628 781420380 /nfs/dbraw/zinc/42/03/80/781420380.db2.gz PYXHDGQHHOFNQD-NXEZZACHSA-N 3 0 256.350 -1.582 20 0 CAADRP O=C(N[C@H]1CC[N@@H+](CCO)C[C@H]1O)C12CC[NH+](CC1)C2 ZINC001090730178 781426375 /nfs/dbraw/zinc/42/63/75/781426375.db2.gz HSHWWLXGYQPWMN-NWDGAFQWSA-N 2 0 283.372 -1.374 20 0 CAADRP COC(=O)[C@@H]1C[C@H]([NH2+]CCCNCCC[NH3+])CN1 ZINC001246451475 781438053 /nfs/dbraw/zinc/43/80/53/781438053.db2.gz HGXQREQOCHCXPT-QWRGUYRKSA-N 2 0 258.366 -1.192 20 0 CAADRP NC(=O)N1CCN(C(=O)[C@@H]([NH3+])C2CC[NH2+]CC2)CC1 ZINC001160456518 781440305 /nfs/dbraw/zinc/44/03/05/781440305.db2.gz LMRVIVYPXCSDAH-JTQLQIEISA-N 2 0 269.349 -1.464 20 0 CAADRP NC(=O)N1CCN(C(=O)[C@@H]([NH3+])CCCC[NH3+])CC1 ZINC001160456520 781440339 /nfs/dbraw/zinc/44/03/39/781440339.db2.gz LMXZMRRDFZJXIX-VIFPVBQESA-N 2 0 257.338 -1.334 20 0 CAADRP CN1CCO[C@H](C(=O)NCC2CC([NH2+]CC(N)=O)C2)C1 ZINC001090970936 781442686 /nfs/dbraw/zinc/44/26/86/781442686.db2.gz NRWFVYHIKKSXPA-ILDUYXDCSA-N 2 0 284.360 -1.713 20 0 CAADRP CN(CC(=O)N(c1ncccn1)C1C[NH2+]C1)C(N)=[NH2+] ZINC001144135887 781444387 /nfs/dbraw/zinc/44/43/87/781444387.db2.gz HDKYJDFBGJGXTA-UHFFFAOYSA-N 2 0 263.305 -1.393 20 0 CAADRP C[C@@H]1COCCN1CCNC(=O)CN(C)C(N)=[NH2+] ZINC001144141720 781444587 /nfs/dbraw/zinc/44/45/87/781444587.db2.gz GGTSLRREZYQWDQ-SECBINFHSA-N 2 0 257.338 -1.351 20 0 CAADRP CN(CC(=O)N1CCOC[C@@H]1C[NH+](C)C)C(N)=[NH2+] ZINC001144135035 781444672 /nfs/dbraw/zinc/44/46/72/781444672.db2.gz CRJXQWCVQLQQBF-VIFPVBQESA-N 2 0 257.338 -1.399 20 0 CAADRP CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)CN(C)C(N)=[NH2+])O1 ZINC001144141549 781444703 /nfs/dbraw/zinc/44/47/03/781444703.db2.gz BGDXLXHFFHETLC-FXPVBKGRSA-N 2 0 287.364 -1.347 20 0 CAADRP CN(CC(=O)NC1(CO)CC[NH+](C)CC1)C(N)=[NH2+] ZINC001144149178 781445660 /nfs/dbraw/zinc/44/56/60/781445660.db2.gz IGDBYIPXJUVPGP-UHFFFAOYSA-N 2 0 257.338 -1.615 20 0 CAADRP CN(CC(=O)NCCN1CCC[N@H+](C)CC1)C(N)=[NH2+] ZINC001144143799 781446168 /nfs/dbraw/zinc/44/61/68/781446168.db2.gz SBBZQESDDZGWKH-UHFFFAOYSA-N 2 0 270.381 -1.435 20 0 CAADRP [NH3+]C1CCN(C(=O)[C@@H]2NC(=O)CC23C[NH2+]C3)CC1 ZINC001160510651 781447549 /nfs/dbraw/zinc/44/75/49/781447549.db2.gz FSPVQRZTYXUEIC-JTQLQIEISA-N 2 0 252.318 -1.586 20 0 CAADRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001144339367 781450969 /nfs/dbraw/zinc/45/09/69/781450969.db2.gz DFTXTPPUNYAYCJ-QMMMGPOBSA-N 2 0 298.347 -1.352 20 0 CAADRP NC(=O)[C@@H]1CCN(C(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3N2)C1 ZINC001160548395 781451567 /nfs/dbraw/zinc/45/15/67/781451567.db2.gz FPPUYSJZYCJRET-XFWSIPNHSA-N 2 0 252.318 -1.730 20 0 CAADRP COC(=O)[C@H]1C[N@@H+]([C@H]2CCNC3(C[NH2+]C3)C2)CCO1 ZINC001246565132 781455077 /nfs/dbraw/zinc/45/50/77/781455077.db2.gz ACEWGEIMMGLFCK-WDEREUQCSA-N 2 0 269.345 -1.046 20 0 CAADRP [NH3+]C[C@H]1CN(C(=O)[C@H]([NH3+])C2CC[NH2+]CC2)CCO1 ZINC001160643879 781457484 /nfs/dbraw/zinc/45/74/84/781457484.db2.gz OXVDDUPHCGGGDV-WDEREUQCSA-N 3 0 256.350 -1.501 20 0 CAADRP Cn1nnnc1C[NH2+]CCCNC(=O)COCC[NH+](C)C ZINC001171199112 781457668 /nfs/dbraw/zinc/45/76/68/781457668.db2.gz WRCFJHVOCADBQQ-UHFFFAOYSA-N 2 0 299.379 -1.616 20 0 CAADRP [NH3+]C[C@H]1CN(C(=O)[C@@H]([NH3+])Cc2cnc[nH]2)CCO1 ZINC001160643866 781457728 /nfs/dbraw/zinc/45/77/28/781457728.db2.gz OWFYWMAPUPPGLH-UWVGGRQHSA-N 2 0 253.306 -1.534 20 0 CAADRP [NH3+]CCC[C@@H]([NH3+])C(=O)N1CCN2C(=O)CC[C@@H]2C1 ZINC001160647656 781457782 /nfs/dbraw/zinc/45/77/82/781457782.db2.gz QYEOGPDBYRACRN-NXEZZACHSA-N 2 0 254.334 -1.114 20 0 CAADRP [NH3+]CCC[C@H]([NH3+])C(=O)N1CCN2C(=O)CC[C@@H]2C1 ZINC001160647657 781458546 /nfs/dbraw/zinc/45/85/46/781458546.db2.gz QYEOGPDBYRACRN-ZJUUUORDSA-N 2 0 254.334 -1.114 20 0 CAADRP [NH3+]C[C@H]1CN(C(=O)[C@]23C[NH2+]C[C@H]2CCN3)CCO1 ZINC001160643812 781458417 /nfs/dbraw/zinc/45/84/17/781458417.db2.gz NRJFXLLCKVMGEG-SCVCMEIPSA-N 2 0 254.334 -1.876 20 0 CAADRP [NH3+][C@@H]1CCN(C(=O)[C@H]2CCC3(CC[NH2+]CC3)[NH2+]2)C[C@H]1O ZINC001160652948 781460871 /nfs/dbraw/zinc/46/08/71/781460871.db2.gz RMMQYUXMTROTDQ-IJLUTSLNSA-N 3 0 282.388 -1.219 20 0 CAADRP CCNC(=O)C[NH2+]CCCNC(=O)COCC[NH+](C)C ZINC001171204531 781462548 /nfs/dbraw/zinc/46/25/48/781462548.db2.gz BPBIUMNSHDMRFH-UHFFFAOYSA-N 2 0 288.392 -1.203 20 0 CAADRP Cn1cc(C[NH2+]CCCNC(=O)COCC[NH+](C)C)nn1 ZINC001171205177 781462564 /nfs/dbraw/zinc/46/25/64/781462564.db2.gz PJCIZHIVUFEOSP-UHFFFAOYSA-N 2 0 298.391 -1.011 20 0 CAADRP CN(C)C(=O)C[NH2+]CCCNC(=O)COCC[NH+](C)C ZINC001171205580 781462846 /nfs/dbraw/zinc/46/28/46/781462846.db2.gz UHDSPOWFABCFAZ-UHFFFAOYSA-N 2 0 288.392 -1.251 20 0 CAADRP C[N@H+]1C[C@H]2CN(C(=O)[C@]34C[NH2+]C[C@@H]3CCN4)C[C@H]2C1 ZINC001160704570 781463776 /nfs/dbraw/zinc/46/37/76/781463776.db2.gz LVRKWAWRKSLCKO-OPDFLTKYSA-N 2 0 264.373 -1.042 20 0 CAADRP COC[C@@H]1C[NH2+]CCN1[C@H]1CN[C@H](C(=O)OC)C1 ZINC001246593479 781464174 /nfs/dbraw/zinc/46/41/74/781464174.db2.gz ICLYOZFMJLFAOH-VWYCJHECSA-N 2 0 257.334 -1.190 20 0 CAADRP C[N@@H+]1CC[C@H](CC(=O)NCCC[NH2+]CC(N)=O)C1 ZINC001171218693 781464453 /nfs/dbraw/zinc/46/44/53/781464453.db2.gz RLZMIILHLBOPNI-SNVBAGLBSA-N 2 0 256.350 -1.091 20 0 CAADRP COC(=O)[C@H]1C[C@H]([N@@H+]2CCNC3(CC[NH2+]CC3)C2)CN1 ZINC001246599701 781465707 /nfs/dbraw/zinc/46/57/07/781465707.db2.gz DGWUGDNUQYFXLM-NWDGAFQWSA-N 2 0 282.388 -1.083 20 0 CAADRP COC(=O)[C@@H]1C[NH2+]CCN1[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246626762 781477318 /nfs/dbraw/zinc/47/73/18/781477318.db2.gz UYFVMMFZPMPETP-QWRGUYRKSA-N 2 0 268.361 -1.473 20 0 CAADRP C1[NH2+]CC12C[C@@H]([N@@H+]1CCN[C@@]3(CC[NH2+]C3)C1)CCN2 ZINC001246645145 781479134 /nfs/dbraw/zinc/47/91/34/781479134.db2.gz UANIJWTZZNOTCE-QWHCGFSZSA-N 3 0 265.405 -1.282 20 0 CAADRP OC[C@@]12C[NH2+]C[C@@H]1C[N@@H+]([C@H]1CCNC3(C[NH2+]C3)C1)C2 ZINC001246648398 781479180 /nfs/dbraw/zinc/47/91/80/781479180.db2.gz YBNBKTMDASGFNU-AGIUHOORSA-N 3 0 266.389 -1.406 20 0 CAADRP COC(=O)[C@H]1CN(C(=O)[C@@H]([NH3+])Cc2cnc[nH]2)CCN1C ZINC001160871217 781479675 /nfs/dbraw/zinc/47/96/75/781479675.db2.gz RNYBSIMSVADFNP-WDEREUQCSA-N 2 0 295.343 -1.405 20 0 CAADRP C[NH+](C)C[C@H]1COCCN1C(=O)[C@@]12CC[C@@H](N1)[C@H]([NH3+])C2 ZINC001160839231 781480134 /nfs/dbraw/zinc/48/01/34/781480134.db2.gz RMMIAAWRWLFCLI-SFTQSGBHSA-N 2 0 282.388 -1.003 20 0 CAADRP C1[NH2+]CC12C[C@@H]([N@@H+]1C[C@@H]3COC[C@H](C1)N3)CCN2 ZINC001246672273 781480548 /nfs/dbraw/zinc/48/05/48/781480548.db2.gz JCHVBFPRMIBDJJ-TUAOUCFPSA-N 2 0 252.362 -1.247 20 0 CAADRP CS(=O)(=O)N(C1C[NH2+]C1)[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246828675 781481667 /nfs/dbraw/zinc/48/16/67/781481667.db2.gz FREAZPOEDYCGLN-VIFPVBQESA-N 2 0 274.390 -1.686 20 0 CAADRP [NH3+]CCN(CC[NH3+])[C@@H]1C[NH2+][C@H](C(=O)N2CCSC2)C1 ZINC001246828655 781482170 /nfs/dbraw/zinc/48/21/70/781482170.db2.gz BZVXIKMFOJYSPW-QWRGUYRKSA-N 3 0 287.433 -1.531 20 0 CAADRP COC(=O)CN1CC[NH+]([C@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246804142 781482455 /nfs/dbraw/zinc/48/24/55/781482455.db2.gz MCIBOJAURKQWDD-LBPRGKRZSA-N 2 0 282.388 -1.129 20 0 CAADRP NC(=O)NCCC[C@@H]([NH3+])C(=O)N1C[C@@H]([NH3+])CC(F)(F)C1 ZINC001160968249 781485113 /nfs/dbraw/zinc/48/51/13/781485113.db2.gz RLLXKCZCGCZNLD-JGVFFNPUSA-N 2 0 293.318 -1.043 20 0 CAADRP CC[N@H+](C)CCC(=O)NCC[NH2+][C@H]1CCNC1=O ZINC001146719910 781490223 /nfs/dbraw/zinc/49/02/23/781490223.db2.gz WCHOHHCLFVZKNU-JTQLQIEISA-N 2 0 256.350 -1.078 20 0 CAADRP CC[N@H+](C)CCC(=O)NCC[NH2+][C@@H]1CCNC1=O ZINC001146719912 781490620 /nfs/dbraw/zinc/49/06/20/781490620.db2.gz WCHOHHCLFVZKNU-SNVBAGLBSA-N 2 0 256.350 -1.078 20 0 CAADRP CC[N@H+](C)CCC(=O)NCC[NH2+][C@@H]1CCC(=O)NC1=O ZINC001146728258 781490932 /nfs/dbraw/zinc/49/09/32/781490932.db2.gz XDRBGZRZMVOEOH-SNVBAGLBSA-N 2 0 284.360 -1.161 20 0 CAADRP CC[N@H+](C)CCC(=O)NCC[NH2+][C@H](C)C(=O)NC(N)=O ZINC001146711443 781491132 /nfs/dbraw/zinc/49/11/32/781491132.db2.gz SBFIQFUAGBIGIM-SECBINFHSA-N 2 0 287.364 -1.383 20 0 CAADRP O=C([C@H]1C[C@@H](O)C[NH2+]1)N1CC(O)([C@@H]2CCCC[NH2+]2)C1 ZINC001160999458 781491842 /nfs/dbraw/zinc/49/18/42/781491842.db2.gz DYLKXVKACXSSQY-MXWKQRLJSA-N 2 0 269.345 -1.575 20 0 CAADRP O=C([C@@H]1C[C@H](O)C[NH2+]1)N1CC(O)([C@H]2CCCC[NH2+]2)C1 ZINC001160999456 781491884 /nfs/dbraw/zinc/49/18/84/781491884.db2.gz DYLKXVKACXSSQY-GARJFASQSA-N 2 0 269.345 -1.575 20 0 CAADRP [NH3+]CCC[C@H]([NH3+])C(=O)N1CC(O)([C@@H]2CCCC[NH2+]2)C1 ZINC001161000431 781492890 /nfs/dbraw/zinc/49/28/90/781492890.db2.gz SOONBZXNXZFTMV-QWRGUYRKSA-N 3 0 270.377 -1.232 20 0 CAADRP N[C@H]1C[NH2+]C[C@@H]1C(=O)N1CC(O)([C@H]2CCCC[NH2+]2)C1 ZINC001161009699 781493576 /nfs/dbraw/zinc/49/35/76/781493576.db2.gz WTRJXNXYVWCAJI-GARJFASQSA-N 2 0 268.361 -1.752 20 0 CAADRP [NH3+][C@H]1CN[C@H](C(=O)N2CC(O)([C@H]3CCCC[NH2+]3)C2)C1 ZINC001161009459 781494152 /nfs/dbraw/zinc/49/41/52/781494152.db2.gz VWKYPAWZHBICAU-OUAUKWLOSA-N 2 0 268.361 -1.609 20 0 CAADRP [NH3+][C@@H]1CN[C@H](C(=O)N2CC(O)([C@H]3CCCC[NH2+]3)C2)C1 ZINC001161009452 781494266 /nfs/dbraw/zinc/49/42/66/781494266.db2.gz VWKYPAWZHBICAU-GARJFASQSA-N 2 0 268.361 -1.609 20 0 CAADRP NC(=O)[C@@H]1CCCN1C(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001161034187 781505845 /nfs/dbraw/zinc/50/58/45/781505845.db2.gz BZSGSYVTAGXSIC-GBIKHYSHSA-N 2 0 266.345 -1.338 20 0 CAADRP NC(=[NH2+])N(CCCC[NH3+])C(=O)c1cc2n(n1)CCNC2=O ZINC001147548999 781511586 /nfs/dbraw/zinc/51/15/86/781511586.db2.gz IDDPKOGOQMXILI-UHFFFAOYSA-N 2 0 293.331 -1.299 20 0 CAADRP NC(=[NH2+])N(CCCC[NH3+])C(=O)c1cc(=O)[nH]c(=O)[nH]1 ZINC001147700617 781519001 /nfs/dbraw/zinc/51/90/01/781519001.db2.gz BPMAEJYJUXXVML-UHFFFAOYSA-N 2 0 268.277 -1.038 20 0 CAADRP C[N@@H+]1CC[C@H](CC(=O)NCC[NH2+][C@H]2CCNC2=O)C1 ZINC001147886034 781522521 /nfs/dbraw/zinc/52/25/21/781522521.db2.gz RTNQEKDJUDHWMC-MNOVXSKESA-N 2 0 268.361 -1.078 20 0 CAADRP CN(C)C(=O)C[NH2+]CCNC(=O)COCC[NH+](C)C ZINC001147841321 781522794 /nfs/dbraw/zinc/52/27/94/781522794.db2.gz FDFSJRPWNXWZEK-UHFFFAOYSA-N 2 0 274.365 -1.641 20 0 CAADRP C[C@@H]([NH2+]CCNC(=O)COCC[NH+](C)C)C(=O)N(C)C ZINC001147891934 781522865 /nfs/dbraw/zinc/52/28/65/781522865.db2.gz FKSIJDHMJHXYTF-LLVKDONJSA-N 2 0 288.392 -1.253 20 0 CAADRP C[NH+](C)CCOCC(=O)NCC[NH2+][C@H]1CCNC1=O ZINC001147848655 781522930 /nfs/dbraw/zinc/52/29/30/781522930.db2.gz RUMNIOFPTLMBHL-JTQLQIEISA-N 2 0 272.349 -1.841 20 0 CAADRP C[NH+](C)CCOCC(=O)NCC[NH2+][C@@H]1CCCNC1=O ZINC001147847982 781522969 /nfs/dbraw/zinc/52/29/69/781522969.db2.gz BWYIANZVMIYXML-LLVKDONJSA-N 2 0 286.376 -1.451 20 0 CAADRP C[N@@H+]1CC[C@H](CC(=O)NCC[NH2+]CC(=O)NC(N)=O)C1 ZINC001147885620 781523215 /nfs/dbraw/zinc/52/32/15/781523215.db2.gz NSWFPABZJFDLJF-SECBINFHSA-N 2 0 285.348 -1.771 20 0 CAADRP C[N@@H+]1CC[C@@H](CC(=O)NCC[NH2+][C@@H]2CCNC2=O)C1 ZINC001147886036 781523243 /nfs/dbraw/zinc/52/32/43/781523243.db2.gz RTNQEKDJUDHWMC-WDEREUQCSA-N 2 0 268.361 -1.078 20 0 CAADRP C[NH+](C)CCOCC(=O)NCC[NH2+]CCS(C)(=O)=O ZINC001147842110 781523271 /nfs/dbraw/zinc/52/32/71/781523271.db2.gz NFESDQKMRUFAPZ-UHFFFAOYSA-N 2 0 295.405 -1.685 20 0 CAADRP CNC(=O)NC(=O)C[NH2+]CCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001147886554 781523652 /nfs/dbraw/zinc/52/36/52/781523652.db2.gz XNGCYJVQCMUWDJ-SNVBAGLBSA-N 2 0 299.375 -1.510 20 0 CAADRP Cn1nncc1C[NH2+]CCNC(=O)COCC[NH+](C)C ZINC001147842463 781523700 /nfs/dbraw/zinc/52/37/00/781523700.db2.gz YYBFCFQAEOEWOZ-UHFFFAOYSA-N 2 0 284.364 -1.401 20 0 CAADRP C[N@@H+]1CC[C@@H](CC(=O)NCC[NH2+]CC(=O)NC(N)=O)C1 ZINC001147885621 781523862 /nfs/dbraw/zinc/52/38/62/781523862.db2.gz NSWFPABZJFDLJF-VIFPVBQESA-N 2 0 285.348 -1.771 20 0 CAADRP C[C@H]([NH2+]CCNC(=O)C[C@@H]1CC[N@H+](C)C1)C(=O)NC(N)=O ZINC001147899930 781524791 /nfs/dbraw/zinc/52/47/91/781524791.db2.gz CUDSEOBUGXMJNI-UWVGGRQHSA-N 2 0 299.375 -1.383 20 0 CAADRP CC[C@H]([NH2+]CCNC(=O)COCC[NH+](C)C)C(N)=O ZINC001147892606 781525403 /nfs/dbraw/zinc/52/54/03/781525403.db2.gz KSVNOQNHUXFZSZ-JTQLQIEISA-N 2 0 274.365 -1.466 20 0 CAADRP C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N1C[C@H]2CCC[N@H+](C)[C@H]2C1 ZINC001161085295 781526132 /nfs/dbraw/zinc/52/61/32/781526132.db2.gz SIKRGBZYYPKBDR-USZNOCQGSA-N 2 0 298.387 -1.637 20 0 CAADRP O=C(NCC[NH2+][C@@H]1CCNC1=O)C12CC[NH+](CC1)C2 ZINC001147976899 781526345 /nfs/dbraw/zinc/52/63/45/781526345.db2.gz DLFUZTQCEYGBIX-SNVBAGLBSA-N 2 0 266.345 -1.324 20 0 CAADRP O=C(NCC[NH2+]CCOCCO)C12CC[NH+](CC1)C2 ZINC001147976790 781526379 /nfs/dbraw/zinc/52/63/79/781526379.db2.gz AFVRGMHIBWACCQ-UHFFFAOYSA-N 2 0 271.361 -1.203 20 0 CAADRP CN(C)c1cc[nH+]cc1C(=O)NCC[NH2+]CC(N)=O ZINC001148051800 781526971 /nfs/dbraw/zinc/52/69/71/781526971.db2.gz WJUOVZKDGGYEAJ-UHFFFAOYSA-N 2 0 265.317 -1.048 20 0 CAADRP CNC(=O)NC(=O)C[NH2+]CCNC(=O)C12CC[NH+](CC1)C2 ZINC001147976864 781527058 /nfs/dbraw/zinc/52/70/58/781527058.db2.gz CSHGEKAQLKWWJG-UHFFFAOYSA-N 2 0 297.359 -1.756 20 0 CAADRP CNC(=O)[C@@H](C)[NH2+]CCNC(=O)C12CC[NH+](CC1)C2 ZINC001147977657 781527548 /nfs/dbraw/zinc/52/75/48/781527548.db2.gz UIXCABUZGJYRHH-SNVBAGLBSA-N 2 0 268.361 -1.078 20 0 CAADRP CCC[N@H+](C)CC(=O)NCC[NH2+][C@H]1CCNC1=O ZINC001148638411 781538261 /nfs/dbraw/zinc/53/82/61/781538261.db2.gz HCOHIRDNNMIFOL-JTQLQIEISA-N 2 0 256.350 -1.078 20 0 CAADRP CCC[N@H+](C)CC(=O)NCC[NH2+][C@H](C)C(=O)NC(N)=O ZINC001148656109 781538296 /nfs/dbraw/zinc/53/82/96/781538296.db2.gz VOUPJKHHVPSGPX-SECBINFHSA-N 2 0 287.364 -1.383 20 0 CAADRP CCC[N@H+](C)CC(=O)NCC[NH2+][C@@H](C)C(=O)NC(N)=O ZINC001148656110 781539639 /nfs/dbraw/zinc/53/96/39/781539639.db2.gz VOUPJKHHVPSGPX-VIFPVBQESA-N 2 0 287.364 -1.383 20 0 CAADRP CCC[N@H+](C)CC(=O)NCCC[NH2+]CC(=O)NC(N)=O ZINC001171763046 781572077 /nfs/dbraw/zinc/57/20/77/781572077.db2.gz SJYNAIIDNATUMD-UHFFFAOYSA-N 2 0 287.364 -1.381 20 0 CAADRP CNC(=O)C[NH2+]CCCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001176058139 781597582 /nfs/dbraw/zinc/59/75/82/781597582.db2.gz VHWNJSRYUPYTSU-SNVBAGLBSA-N 2 0 256.350 -1.220 20 0 CAADRP C[C@H]([NH2+]CCCNC(=O)[C@@H]1CC[N@H+](C)C1)C(N)=O ZINC001176056592 781597734 /nfs/dbraw/zinc/59/77/34/781597734.db2.gz HRGSFTNVPLVOSC-VHSXEESVSA-N 2 0 256.350 -1.092 20 0 CAADRP C[N@@H+]1CC[C@@H](C(=O)NCCC[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001176057706 781597742 /nfs/dbraw/zinc/59/77/42/781597742.db2.gz RMQZFFBESLLTMO-GHMZBOCLSA-N 2 0 296.371 -1.161 20 0 CAADRP C[C@H]([NH2+]CCCNC(=O)[C@H]1CC[N@H+](C)C1)C(N)=O ZINC001176056591 781597840 /nfs/dbraw/zinc/59/78/40/781597840.db2.gz HRGSFTNVPLVOSC-UWVGGRQHSA-N 2 0 256.350 -1.092 20 0 CAADRP Cn1nnnc1C[NH2+]CCCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001176072354 781597883 /nfs/dbraw/zinc/59/78/83/781597883.db2.gz QPAZRDIQVUNQBR-SNVBAGLBSA-N 2 0 281.364 -1.242 20 0 CAADRP Cn1nnnc1C[NH2+]CCCNC(=O)C[NH+]1CCCC1 ZINC001176096338 781598190 /nfs/dbraw/zinc/59/81/90/781598190.db2.gz QJJAFWJGDAHSOO-UHFFFAOYSA-N 2 0 281.364 -1.098 20 0 CAADRP C[C@@H](C[NH+]1CCOCC1)C(=O)NCCC[NH2+]CC(N)=O ZINC001176153071 781598675 /nfs/dbraw/zinc/59/86/75/781598675.db2.gz NSSSTQOZFFFEOA-NSHDSACASA-N 2 0 286.376 -1.464 20 0 CAADRP C[C@H](C[NH+]1CCOCC1)C(=O)NCCC[NH2+]CC(N)=O ZINC001176153070 781598928 /nfs/dbraw/zinc/59/89/28/781598928.db2.gz NSSSTQOZFFFEOA-LLVKDONJSA-N 2 0 286.376 -1.464 20 0 CAADRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)Cc1nc(N)n[nH]1 ZINC001180251361 781657096 /nfs/dbraw/zinc/65/70/96/781657096.db2.gz GOOYQAPQOSXHED-UHFFFAOYSA-N 2 0 282.352 -1.007 20 0 CAADRP CC(C)[NH+]1CCN(CC(=O)NCC[NH2+]CCO)CC1 ZINC001180349332 781659545 /nfs/dbraw/zinc/65/95/45/781659545.db2.gz KLFUOUVGEHWYAD-UHFFFAOYSA-N 2 0 272.393 -1.290 20 0 CAADRP CC(C)[NH+]1CCN(CC(=O)NC2(C[NH3+])COC2)CC1 ZINC001180351239 781659921 /nfs/dbraw/zinc/65/99/21/781659921.db2.gz UALSINOHZTXFIK-UHFFFAOYSA-N 2 0 270.377 -1.144 20 0 CAADRP CN1CCO[C@@H](C(=O)N(CCCC[NH3+])C(N)=[NH2+])C1 ZINC001180758216 781675071 /nfs/dbraw/zinc/67/50/71/781675071.db2.gz ANGXHJJDOUTNGF-SECBINFHSA-N 2 0 257.338 -1.222 20 0 CAADRP COCCN1C[C@H](C(=O)N(CCCC[NH3+])C(N)=[NH2+])CC1=O ZINC001180892685 781679954 /nfs/dbraw/zinc/67/99/54/781679954.db2.gz WPQDACHFSMZUHJ-SNVBAGLBSA-N 2 0 299.375 -1.058 20 0 CAADRP C[C@@H](C(=O)NCCN(CC[NH3+])N(O)N=O)[NH+](C)C ZINC001180863502 781681571 /nfs/dbraw/zinc/68/15/71/781681571.db2.gz JYDUTJRHHKSIHV-QMMMGPOBSA-N 2 0 262.314 -1.399 20 0 CAADRP CN1C(=O)C[C@@H](C(=O)N(CCCC[NH3+])C(N)=[NH2+])NC1=O ZINC001181136952 781689159 /nfs/dbraw/zinc/68/91/59/781689159.db2.gz VNJOKPMLJCQKET-ZETCQYMHSA-N 2 0 284.320 -1.612 20 0 CAADRP N[C@@H]1NCN(C(=O)C23CC[NH+](CC2)CC3)[C@H]2NCN[C@H]21 ZINC001181555962 781694640 /nfs/dbraw/zinc/69/46/40/781694640.db2.gz UVMKEVAIQHRAPM-HBNTYKKESA-N 2 0 280.376 -2.009 20 0 CAADRP C[N@@H+]1CC[C@@H](C(=O)NCC[NH2+][C@@H]2CCNC2=O)C1 ZINC001151049407 781696328 /nfs/dbraw/zinc/69/63/28/781696328.db2.gz NPUFOJOKLXVOTB-NXEZZACHSA-N 2 0 254.334 -1.468 20 0 CAADRP C[N@@H+]1CC[C@H](C(=O)NCC[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001151056353 781700144 /nfs/dbraw/zinc/70/01/44/781700144.db2.gz LNPMVYNHOQGPNV-VHSXEESVSA-N 2 0 282.344 -1.551 20 0 CAADRP CN1CC[C@@H]([NH2+]CCNC(=O)[C@@H]2CC[N@H+](C)C2)C1=O ZINC001151065701 781700946 /nfs/dbraw/zinc/70/09/46/781700946.db2.gz NCVVGEILDYYNRN-GHMZBOCLSA-N 2 0 268.361 -1.125 20 0 CAADRP CNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001151065938 781701010 /nfs/dbraw/zinc/70/10/10/781701010.db2.gz OKLIUMFEYNTBGC-ZJUUUORDSA-N 2 0 256.350 -1.222 20 0 CAADRP C[N@@H+]1CC[C@H](C(=O)NCC[NH2+]CCn2cncn2)C1 ZINC001151066164 781701217 /nfs/dbraw/zinc/70/12/17/781701217.db2.gz REVITZNYIVJOHV-NSHDSACASA-N 2 0 266.349 -1.064 20 0 CAADRP CN1CC[C@@H]([NH2+]CCNC(=O)[C@H]2CC[N@H+](C)C2)C1=O ZINC001151065706 781701886 /nfs/dbraw/zinc/70/18/86/781701886.db2.gz NCVVGEILDYYNRN-WDEREUQCSA-N 2 0 268.361 -1.125 20 0 CAADRP CN1CC[C@H]([NH2+]CCNC(=O)[C@@H]2CC[N@H+](C)C2)C1=O ZINC001151065703 781702173 /nfs/dbraw/zinc/70/21/73/781702173.db2.gz NCVVGEILDYYNRN-MNOVXSKESA-N 2 0 268.361 -1.125 20 0 CAADRP C[N@@H+]1CC[C@@H](C(=O)NCC[NH2+]CCn2cncn2)C1 ZINC001151066163 781702047 /nfs/dbraw/zinc/70/20/47/781702047.db2.gz REVITZNYIVJOHV-LLVKDONJSA-N 2 0 266.349 -1.064 20 0 CAADRP C[NH+]1CCC(O)(C(=O)N(CC[NH3+])S(C)(=O)=O)CC1 ZINC001182028902 781704996 /nfs/dbraw/zinc/70/49/96/781704996.db2.gz HXLAQBCEXAQCSQ-UHFFFAOYSA-N 2 0 279.362 -1.810 20 0 CAADRP CC(=O)N[C@H](CCO)C(=O)N(CCCC[NH3+])C(N)=[NH2+] ZINC001182134646 781710410 /nfs/dbraw/zinc/71/04/10/781710410.db2.gz JJZSJPDEUIBCSP-SECBINFHSA-N 2 0 273.337 -1.666 20 0 CAADRP O=C(C[NH+]1CCCC1)NCC[NH2+][C@@H]1CCC(=O)NC1=O ZINC001151097636 781716061 /nfs/dbraw/zinc/71/60/61/781716061.db2.gz NNFQCVLUEFDWEX-SNVBAGLBSA-N 2 0 282.344 -1.407 20 0 CAADRP CCNC(=O)NC(=O)C[NH2+]CCNC(=O)C[NH+]1CCCC1 ZINC001151098118 781717035 /nfs/dbraw/zinc/71/70/35/781717035.db2.gz VAMKOLNVALYZTD-UHFFFAOYSA-N 2 0 299.375 -1.366 20 0 CAADRP CC(C)[N@@H+]1CC[C@H]1C(=O)N1CN[C@H](N)[C@@H]2NCN[C@@H]21 ZINC001182871658 781729858 /nfs/dbraw/zinc/72/98/58/781729858.db2.gz SOMKIEWAYQNMKG-XWLWVQCSSA-N 2 0 268.365 -2.012 20 0 CAADRP CN1C[C@@H](C(=O)N(CCCC[NH3+])C(N)=[NH2+])NC1=O ZINC001183075432 781737344 /nfs/dbraw/zinc/73/73/44/781737344.db2.gz WSSSKGPRSDHFQA-ZETCQYMHSA-N 2 0 256.310 -1.529 20 0 CAADRP CN1CCN(C)[C@@H](C(=O)N(CCCC[NH3+])C(N)=[NH2+])C1 ZINC001185263719 781778354 /nfs/dbraw/zinc/77/83/54/781778354.db2.gz VFEBJIAMVUDNCO-SNVBAGLBSA-N 2 0 270.381 -1.307 20 0 CAADRP CN1CC[N@H+](C)C[C@@H]1C(=O)n1cnc(C[NH3+])cc1=N ZINC001185261340 781779171 /nfs/dbraw/zinc/77/91/71/781779171.db2.gz FGAKUFKSJOQSCH-SNVBAGLBSA-N 2 0 264.333 -1.293 20 0 CAADRP CN1CC[N@H+](C)C[C@@H]1C(=O)NC1(CO)CC[NH+](C)CC1 ZINC001185268573 781781222 /nfs/dbraw/zinc/78/12/22/781781222.db2.gz DIBYXVWVAPEUGQ-GFCCVEGCSA-N 2 0 284.404 -1.195 20 0 CAADRP CCOC(=O)CN(CC[NH3+])C(=O)[C@@H]1C[N@H+](C)CCN1C ZINC001185267236 781781508 /nfs/dbraw/zinc/78/15/08/781781508.db2.gz PRKYKKAWPXODJT-NSHDSACASA-N 2 0 286.376 -1.417 20 0 CAADRP CN1CC[N@H+](C)C[C@H]1C(=O)n1cc(C[NH3+])cnc1=N ZINC001185267307 781781931 /nfs/dbraw/zinc/78/19/31/781781931.db2.gz RBKBYDPFZOVQSB-JTQLQIEISA-N 2 0 264.333 -1.293 20 0 CAADRP CN1CC[N@H+](C)C[C@@H]1C(=O)n1cc(C[NH3+])cnc1=N ZINC001185267308 781782473 /nfs/dbraw/zinc/78/24/73/781782473.db2.gz RBKBYDPFZOVQSB-SNVBAGLBSA-N 2 0 264.333 -1.293 20 0 CAADRP C[NH+](C)CCC(=O)N1CC[C@@H]([NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001185408714 781784945 /nfs/dbraw/zinc/78/49/45/781784945.db2.gz WYLTULSFZCEJSN-GHMZBOCLSA-N 2 0 296.371 -1.066 20 0 CAADRP COC(=O)[C@H]1CCN(CC(=O)N(CCCC[NH3+])C(N)=[NH2+])C1 ZINC001186116064 781800786 /nfs/dbraw/zinc/80/07/86/781800786.db2.gz SMRYENZWKDTEOE-JTQLQIEISA-N 2 0 299.375 -1.058 20 0 CAADRP C[NH+](C)CCOCC(=O)N1CC[C@@H]([NH2+]CCO)C1 ZINC001187106380 781814125 /nfs/dbraw/zinc/81/41/25/781814125.db2.gz FSNRHXHENAHWFN-LLVKDONJSA-N 2 0 259.350 -1.253 20 0 CAADRP CNC(=O)C[NH2+][C@@H]1CCN(C(=O)COCC[NH+](C)C)C1 ZINC001187115924 781814486 /nfs/dbraw/zinc/81/44/86/781814486.db2.gz VJYVEDRNJCZKJB-LLVKDONJSA-N 2 0 286.376 -1.499 20 0 CAADRP NC(=[NH2+])N(CCCC[NH3+])C(=O)CN1CCC(=O)C1 ZINC001187330553 781817803 /nfs/dbraw/zinc/81/78/03/781817803.db2.gz UGTIBNIDPXLSGS-UHFFFAOYSA-N 2 0 255.322 -1.278 20 0 CAADRP NC(=[NH2+])N(CCCC[NH3+])C(=O)CNC(=O)[C@@H]1CCC(=O)N1 ZINC001187524426 781823559 /nfs/dbraw/zinc/82/35/59/781823559.db2.gz OREZHPBGEKHYDA-QMMMGPOBSA-N 2 0 298.347 -2.158 20 0 CAADRP C[N@@H+]1CC[C@H](C(=O)N2CC[C@@H]([NH2+]CC(=O)NC(N)=O)C2)C1 ZINC001187825540 781830659 /nfs/dbraw/zinc/83/06/59/781830659.db2.gz PNROHNFLBDHSQH-VHSXEESVSA-N 2 0 297.359 -1.677 20 0 CAADRP C[N@@H+]1CC[C@@H](C(=O)N2CC[C@@H]([NH2+]CC(=O)NC(N)=O)C2)C1 ZINC001187825539 781831027 /nfs/dbraw/zinc/83/10/27/781831027.db2.gz PNROHNFLBDHSQH-NXEZZACHSA-N 2 0 297.359 -1.677 20 0 CAADRP C[NH+](C)CCC(=O)NC1CC(C[NH2+]CC(=O)NC(N)=O)C1 ZINC001422275059 890562650 /nfs/dbraw/zinc/56/26/50/890562650.db2.gz WTZULPZTYZCIJM-UHFFFAOYSA-N 2 0 299.375 -1.383 20 0 CAADRP CC(C)(C)[NH2+]C[C@@H](O)CN[C@@]12CC[NH2+][C@@H]1CC(=O)N2 ZINC001245979292 884079131 /nfs/dbraw/zinc/07/91/31/884079131.db2.gz SKIJTTWXQXIJLU-GIPNMCIBSA-N 2 0 270.377 -1.097 20 0 CAADRP CC[C@H](C(=O)N(C)CC[NH2+]CC(=O)NC(N)=O)[NH+](C)C ZINC001317599580 884224285 /nfs/dbraw/zinc/22/42/85/884224285.db2.gz ZATWBMFBGPLLFD-SECBINFHSA-N 2 0 287.364 -1.431 20 0 CAADRP C[N@@H+]1CC[C@H](CNC(=O)CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC001326026141 884761082 /nfs/dbraw/zinc/76/10/82/884761082.db2.gz CBCFULCKPFLZDE-GHMZBOCLSA-N 2 0 268.361 -1.078 20 0 CAADRP [NH3+][C@H](CC(F)F)C(=O)NCCN1CC[NH2+]CC1 ZINC001326361298 884788802 /nfs/dbraw/zinc/78/88/02/884788802.db2.gz LBDVDRUXXLVSMU-MRVPVSSYSA-N 2 0 250.293 -1.010 20 0 CAADRP O=C(CNC(=O)[C@H]1CCC[NH2+]1)NCC1=CC[NH2+]CC1 ZINC001326597950 884811098 /nfs/dbraw/zinc/81/10/98/884811098.db2.gz JISHXAFYZJEUCN-LLVKDONJSA-N 2 0 266.345 -1.110 20 0 CAADRP CCOC(=O)[C@H]1C[NH2+]CCN1CCN1CC[NH2+]CC1 ZINC001326584730 884811236 /nfs/dbraw/zinc/81/12/36/884811236.db2.gz YRQLOZCBCCVGHT-GFCCVEGCSA-N 2 0 270.377 -1.272 20 0 CAADRP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)[C@H]2C[C@H]([NH3+])C2)n1 ZINC001327612615 884907537 /nfs/dbraw/zinc/90/75/37/884907537.db2.gz BZSXKJXQJSSYCF-LJGSYFOKSA-N 2 0 251.290 -1.006 20 0 CAADRP O=C(CN1CC[NH2+]C[C@H]1C(F)F)N1CC[NH2+]CC1 ZINC001328493434 884992360 /nfs/dbraw/zinc/99/23/60/884992360.db2.gz UPBAGLFPGIQMRA-VIFPVBQESA-N 2 0 262.304 -1.043 20 0 CAADRP C[C@H](C[NH3+])NC(=O)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC001329119912 885066687 /nfs/dbraw/zinc/06/66/87/885066687.db2.gz DNFGWRSBFRHKFD-BBBLOLIVSA-N 2 0 256.350 -1.094 20 0 CAADRP O[C@H](C[NH2+]C[C@@H](O)C[NH+]1CCCC1)Cn1ccnn1 ZINC001329223835 885077347 /nfs/dbraw/zinc/07/73/47/885077347.db2.gz WLUAWJUQAOVFSZ-VXGBXAGGSA-N 2 0 269.349 -1.315 20 0 CAADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]CCN2CC[C@@H](O)C2)CC1 ZINC001329237575 885078597 /nfs/dbraw/zinc/07/85/97/885078597.db2.gz VNBMPDYKHMEMCU-KGLIPLIRSA-N 2 0 286.420 -1.749 20 0 CAADRP C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)CNC(=O)C[NH3+] ZINC001329273596 885086418 /nfs/dbraw/zinc/08/64/18/885086418.db2.gz SDRRHFOOQGXWRS-VHSXEESVSA-N 2 0 256.350 -1.140 20 0 CAADRP CN(C1CC[NH2+]CC1)S(=O)(=O)NCCC[NH3+] ZINC001329317503 885087707 /nfs/dbraw/zinc/08/77/07/885087707.db2.gz ZPWLLCJKFKPCMT-UHFFFAOYSA-N 2 0 250.368 -1.147 20 0 CAADRP CN(CC[NH+](C)C)C(=O)C(=O)NCC1([NH3+])CCOCC1 ZINC001329470129 885108129 /nfs/dbraw/zinc/10/81/29/885108129.db2.gz NULZQPYDGUVVTF-UHFFFAOYSA-N 2 0 286.376 -1.370 20 0 CAADRP [NH3+]C1CCN(S(=O)(=O)C[C@H]2C[NH2+]CCO2)CC1 ZINC001330367180 885191926 /nfs/dbraw/zinc/19/19/26/885191926.db2.gz RNGNPZNQSZYALX-SNVBAGLBSA-N 2 0 263.363 -1.272 20 0 CAADRP [NH3+]C[C@@H]1CN(C(=O)NC[C@@H]2COCC[NH2+]2)CCO1 ZINC001331569169 885289386 /nfs/dbraw/zinc/28/93/86/885289386.db2.gz MTSMLHHMKUBICA-NXEZZACHSA-N 2 0 258.322 -1.656 20 0 CAADRP COC1(C(=O)NC[C@@H]2C[NH2+]CCO2)CC[NH2+]CC1 ZINC001332449589 885410815 /nfs/dbraw/zinc/41/08/15/885410815.db2.gz JIAVRSHWHPGEFO-JTQLQIEISA-N 2 0 257.334 -1.140 20 0 CAADRP [NH3+]CC(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC001332517359 885415641 /nfs/dbraw/zinc/41/56/41/885415641.db2.gz PFFKJRPFXULJCL-LLVKDONJSA-N 2 0 256.350 -1.532 20 0 CAADRP O=C(CN1CC[NH2+]CC1)NCCC[NH+]1CCC(O)CC1 ZINC001333336568 885474853 /nfs/dbraw/zinc/47/48/53/885474853.db2.gz PJFOGFSBUMAYKA-UHFFFAOYSA-N 2 0 284.404 -1.145 20 0 CAADRP COC[C@]1(C(=O)NC2CC[NH2+]CC2)C[NH2+]CCO1 ZINC001333306339 885472274 /nfs/dbraw/zinc/47/22/74/885472274.db2.gz BFGLVLHEBIHRMW-LBPRGKRZSA-N 2 0 257.334 -1.140 20 0 CAADRP CCN(CC[NH3+])C(=O)C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC001335230807 885596963 /nfs/dbraw/zinc/59/69/63/885596963.db2.gz QNUXMXLHLZTSDX-NSHDSACASA-N 2 0 285.392 -1.844 20 0 CAADRP C[C@]1(C(=O)NCCCN2CC[NH2+]CC2)C[C@@H](O)C[NH2+]1 ZINC001335307471 885609491 /nfs/dbraw/zinc/60/94/91/885609491.db2.gz DPCDFPZMWCZHPX-DGCLKSJQSA-N 2 0 270.377 -1.489 20 0 CAADRP COC(=O)COCC[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC001335383990 885616329 /nfs/dbraw/zinc/61/63/29/885616329.db2.gz YEMYEEORLUIPQF-LBPRGKRZSA-N 2 0 289.376 -1.626 20 0 CAADRP C[C@@H]1CN(C(=O)NCC(=O)N2CC[NH2+]CC2)C[C@H]1[NH3+] ZINC001336118334 885648776 /nfs/dbraw/zinc/64/87/76/885648776.db2.gz YKCPLCWAFOOEDW-NXEZZACHSA-N 2 0 269.349 -1.593 20 0 CAADRP C[NH+]1CCN(C[C@H](O)C[NH2+]CCO[C@H]2CCOC2)CC1 ZINC001336307248 885656152 /nfs/dbraw/zinc/65/61/52/885656152.db2.gz HFCQEOVAAFJLGN-KGLIPLIRSA-N 2 0 287.404 -1.010 20 0 CAADRP O=C(NC1CC[NH2+]CC1)N1CCNCC[NH2+]CC1 ZINC001336906508 885687350 /nfs/dbraw/zinc/68/73/50/885687350.db2.gz DUOAGUINTAHQGO-UHFFFAOYSA-N 2 0 255.366 -1.057 20 0 CAADRP C[C@@H]1CN(C(=O)NCCN2CC[NH2+]CC2)C[C@H]1[NH3+] ZINC001336906489 885687374 /nfs/dbraw/zinc/68/73/74/885687374.db2.gz DIFPALXGGOEDMA-GHMZBOCLSA-N 2 0 255.366 -1.120 20 0 CAADRP CNC(=O)NCC[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC001336837812 885683802 /nfs/dbraw/zinc/68/38/02/885683802.db2.gz AZESDGUSJHOLFB-NSHDSACASA-N 2 0 273.381 -1.887 20 0 CAADRP COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)[C@@H]1C[C@@H]1C[NH3+] ZINC001340295400 885796696 /nfs/dbraw/zinc/79/66/96/885796696.db2.gz BOKFJWMHHPEURV-BBBLOLIVSA-N 2 0 255.318 -1.055 20 0 CAADRP COC[C@H]([NH3+])C(=O)N[C@@H](C)CN1CC[NH+](C)CC1 ZINC001340248191 885796752 /nfs/dbraw/zinc/79/67/52/885796752.db2.gz FOPMOCGFQQSKTR-QWRGUYRKSA-N 2 0 258.366 -1.288 20 0 CAADRP COC[C@]1(C(=O)NCC2(O)C[NH2+]C2)CCCC[NH2+]1 ZINC001340596874 885805746 /nfs/dbraw/zinc/80/57/46/885805746.db2.gz UTXUNFJJWUVTBT-LBPRGKRZSA-N 2 0 257.334 -1.404 20 0 CAADRP C[NH+](C)CCC[C@@H]1CN(C(=O)[C@H]([NH3+])CO)CCO1 ZINC001340785797 885812740 /nfs/dbraw/zinc/81/27/40/885812740.db2.gz HZOHNNXZGBBADT-GHMZBOCLSA-N 2 0 259.350 -1.125 20 0 CAADRP CN1CC[NH2+]C[C@@H]1C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC001340947092 885818941 /nfs/dbraw/zinc/81/89/41/885818941.db2.gz ZWVLWTNGRKOHFU-WDEREUQCSA-N 2 0 256.350 -1.615 20 0 CAADRP CN1CC[NH2+]C[C@@H]1C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC001340947081 885820577 /nfs/dbraw/zinc/82/05/77/885820577.db2.gz ZWVLWTNGRKOHFU-GHMZBOCLSA-N 2 0 256.350 -1.615 20 0 CAADRP C[C@@H]1C[NH2+]C[C@H]1NC(=O)[C@@H]1CCCN(CC[NH3+])C1=O ZINC001341010950 885822247 /nfs/dbraw/zinc/82/22/47/885822247.db2.gz QQFOGVWJGOBXSW-OUAUKWLOSA-N 2 0 268.361 -1.092 20 0 CAADRP C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)N[C@@H]1C[NH2+]C[C@@H]1O ZINC001341418837 885837212 /nfs/dbraw/zinc/83/72/12/885837212.db2.gz VMIJGOAWEYNKEL-DBIOUOCHSA-N 2 0 254.334 -2.176 20 0 CAADRP C[NH2+]C[C@H](O)CN(C)C(=O)[C@@]1(C)C[C@H](OC)C[NH2+]1 ZINC001341491878 885841607 /nfs/dbraw/zinc/84/16/07/885841607.db2.gz BPYPHWBJTCMABI-JBLDHEPKSA-N 2 0 259.350 -1.208 20 0 CAADRP CC(C)([NH3+])CNC(=O)[C@H]1CC(=O)N(C2C[NH2+]C2)C1 ZINC001341241577 885830192 /nfs/dbraw/zinc/83/01/92/885830192.db2.gz MFLBHSKAJXKORB-QMMMGPOBSA-N 2 0 254.334 -1.340 20 0 CAADRP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)N1CCNCC[NH2+]CC1 ZINC001341224127 885832541 /nfs/dbraw/zinc/83/25/41/885832541.db2.gz XOUMOXSQNBMZFV-NSHDSACASA-N 2 0 283.376 -2.124 20 0 CAADRP C[C@@H](CNC(=O)[C@@H]1C[NH2+]CCN1C)N1CC[NH+](C)CC1 ZINC001341625899 885848033 /nfs/dbraw/zinc/84/80/33/885848033.db2.gz DCERCEYKKMDAKG-STQMWFEESA-N 2 0 283.420 -1.358 20 0 CAADRP [NH3+][C@H]1C[C@@H](CNC(=O)[C@H]2CC(=O)N(C3C[NH2+]C3)C2)C1 ZINC001341529620 885845397 /nfs/dbraw/zinc/84/53/97/885845397.db2.gz MFCCYUCIJZAKRK-LPEHRKFASA-N 2 0 266.345 -1.340 20 0 CAADRP C[C@]1(C(=O)N[C@H]2COC3(C[NH2+]C3)C2)C[NH2+]CCO1 ZINC001342124335 885870784 /nfs/dbraw/zinc/87/07/84/885870784.db2.gz BREOAZYJTCSCHL-MWLCHTKSSA-N 2 0 255.318 -1.388 20 0 CAADRP C[NH2+]C[C@H](O)[C@@H](C)C(=O)N[C@H]1COC2(C[NH2+]C2)C1 ZINC001342215736 885875661 /nfs/dbraw/zinc/87/56/61/885875661.db2.gz NQHDIVLNTXAXCI-BBBLOLIVSA-N 2 0 257.334 -1.550 20 0 CAADRP C[NH2+]C[C@H](O)CN(C)C(=O)C1(OC)CC[NH2+]CC1 ZINC001342256293 885879168 /nfs/dbraw/zinc/87/91/68/885879168.db2.gz QLTMRHSFNAGYOB-JTQLQIEISA-N 2 0 259.350 -1.206 20 0 CAADRP O=C(N1NC(=O)C[C@]12CC[NH2+]C2)[C@@]1(F)CC[NH2+]C1 ZINC001342375637 885882054 /nfs/dbraw/zinc/88/20/54/885882054.db2.gz XKQCVYXJLYCREN-WDEREUQCSA-N 2 0 256.281 -1.316 20 0 CAADRP C[C@@H]([NH3+])CN(C)C(=O)[C@@H]1CCCN(CC[NH3+])C1=O ZINC001342338670 885882447 /nfs/dbraw/zinc/88/24/47/885882447.db2.gz VMALAVRLOIWQPV-ZJUUUORDSA-N 2 0 256.350 -1.011 20 0 CAADRP O=C(C[C@@H]1COCC[NH2+]1)N[C@@H]1COC2(C[NH2+]C2)C1 ZINC001342215538 885876368 /nfs/dbraw/zinc/87/63/68/885876368.db2.gz MCUOXBCUTIQPKX-ZJUUUORDSA-N 2 0 255.318 -1.388 20 0 CAADRP O=C([C@H]1C[NH2+]CCO1)N1NC(=O)C[C@]12CC[NH2+]C2 ZINC001342387204 885883138 /nfs/dbraw/zinc/88/31/38/885883138.db2.gz WWVSJKVJJQSYJY-KCJUWKMLSA-N 2 0 254.290 -2.030 20 0 CAADRP COCCC1(NC(=O)C[C@H](O)C[NH3+])CC[NH2+]CC1 ZINC001342317635 885884135 /nfs/dbraw/zinc/88/41/35/885884135.db2.gz CHNRBIHIZZYFBC-JTQLQIEISA-N 2 0 259.350 -1.029 20 0 CAADRP O=C(NC[C@H]1C[NH2+]CCO1)[C@@H]1[NH2+]CC12CCOCC2 ZINC001343099812 885904278 /nfs/dbraw/zinc/90/42/78/885904278.db2.gz PYLHDMONXYVWPJ-MNOVXSKESA-N 2 0 269.345 -1.140 20 0 CAADRP O=C(NC[C@H]1CCC[NH2+]1)[C@@H]1CC(=O)N(C2C[NH2+]C2)C1 ZINC001343036669 885904718 /nfs/dbraw/zinc/90/47/18/885904718.db2.gz GUHMAGLKWZIMMS-NXEZZACHSA-N 2 0 266.345 -1.325 20 0 CAADRP COC[C@@H]1C[NH2+]CCN1C(=O)C1=NO[C@H](C[NH3+])C1 ZINC001343054882 885905861 /nfs/dbraw/zinc/90/58/61/885905861.db2.gz NJVLBHPIOUKGPB-IUCAKERBSA-N 2 0 256.306 -1.463 20 0 CAADRP COC[C@]1(C(=O)N2CCNCC[NH2+]CC2)C[NH2+]CCO1 ZINC001342622202 885895129 /nfs/dbraw/zinc/89/51/29/885895129.db2.gz LUFWLHGWHGUVLD-ZDUSSCGKSA-N 2 0 286.376 -1.987 20 0 CAADRP C[NH2+]C[C@H](O)[C@H](C)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC001343505151 885917713 /nfs/dbraw/zinc/91/77/13/885917713.db2.gz LKWPTKNDBQRSML-AXFHLTTASA-N 2 0 259.350 -1.303 20 0 CAADRP CC[NH+]1CCN([C@H](C)CNC(=O)CNCC[NH3+])CC1 ZINC001343453537 885917812 /nfs/dbraw/zinc/91/78/12/885917812.db2.gz OZOONLPWDJOADR-GFCCVEGCSA-N 2 0 271.409 -1.323 20 0 CAADRP [NH3+]CCNCC(=O)N1CCN(C[C@@H]2CCCO2)CC1 ZINC001343353386 885912910 /nfs/dbraw/zinc/91/29/10/885912910.db2.gz DEXMTMFGYOETQO-LBPRGKRZSA-N 2 0 270.377 -1.142 20 0 CAADRP C[NH2+]CCN(C)C(=O)[C@@H]1CCCN(CC[NH3+])C1=O ZINC001343459106 885916180 /nfs/dbraw/zinc/91/61/80/885916180.db2.gz OPHFMCHWVJYIEF-JTQLQIEISA-N 2 0 256.350 -1.139 20 0 CAADRP C[C@@H](CC[NH3+])NC(=O)[C@H]1CC(=O)N(C2C[NH2+]C2)C1 ZINC001343460095 885917255 /nfs/dbraw/zinc/91/72/55/885917255.db2.gz WBPLTSUKZZKDDA-IUCAKERBSA-N 2 0 254.334 -1.340 20 0 CAADRP O=C(N[C@H]1C[NH2+]C[C@H]1O)[C@]12C[NH2+]C[C@H]1CCOC2 ZINC001344080980 885933265 /nfs/dbraw/zinc/93/32/65/885933265.db2.gz HDYKTVNAQNAPEA-KLBPJQLPSA-N 2 0 255.318 -1.939 20 0 CAADRP O=C(NC[C@H]1COCC[NH2+]1)[C@]12C[NH2+]C[C@H]1CCOC2 ZINC001344356082 885940396 /nfs/dbraw/zinc/94/03/96/885940396.db2.gz AJJASPINUJNJNZ-MDZLAQPJSA-N 2 0 269.345 -1.283 20 0 CAADRP O=C([C@@H]1C[NH2+]CCO1)N1NC(=O)C[C@@]12CC[NH2+]C2 ZINC001344439585 885941319 /nfs/dbraw/zinc/94/13/19/885941319.db2.gz WWVSJKVJJQSYJY-GZMMTYOYSA-N 2 0 254.290 -2.030 20 0 CAADRP [NH3+][C@H](CO)C(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC001344505346 885944910 /nfs/dbraw/zinc/94/49/10/885944910.db2.gz LKSRAJNLJZUUDN-VHSXEESVSA-N 2 0 257.334 -1.419 20 0 CAADRP COC[C@@]1(C(=O)N2CCNCC[NH2+]CC2)CC[NH2+]C1 ZINC001344973295 885950860 /nfs/dbraw/zinc/95/08/60/885950860.db2.gz CIUXCQRXXPODMB-CYBMUJFWSA-N 2 0 270.377 -1.366 20 0 CAADRP C[C@H](C[NH3+])NC(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC001347061113 886022143 /nfs/dbraw/zinc/02/21/43/886022143.db2.gz LRQAVOICAHJDDM-ZCFIWIBFSA-N 2 0 254.294 -1.213 20 0 CAADRP CO[C@@H](C[NH3+])C(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC001349816656 886151150 /nfs/dbraw/zinc/15/11/50/886151150.db2.gz QMFJOFISQHRCKH-MNOVXSKESA-N 2 0 256.350 -1.534 20 0 CAADRP [NH3+]C[C@@H]1CC(C(=O)NC[C@H]2C[NH2+]CCCO2)=NO1 ZINC001350409385 886171895 /nfs/dbraw/zinc/17/18/95/886171895.db2.gz GZKCFWASTCTUQA-DTWKUNHWSA-N 2 0 256.306 -1.415 20 0 CAADRP [NH3+]C1(CNC(=O)C[C@H]2C[NH2+]CCO2)CCOCC1 ZINC001352850087 886249920 /nfs/dbraw/zinc/24/99/20/886249920.db2.gz VHJXIPMWLHHEPY-JTQLQIEISA-N 2 0 257.334 -1.011 20 0 CAADRP C[C@H](CNC(=O)[C@H]1CC(=O)N(C2C[NH2+]C2)C1)[NH+](C)C ZINC001353508454 886281384 /nfs/dbraw/zinc/28/13/84/886281384.db2.gz KEXOCNRBGWYNSX-ZJUUUORDSA-N 2 0 268.361 -1.127 20 0 CAADRP C[NH+]1CCN(CCCNC(=O)C2(C[NH3+])CC(O)C2)CC1 ZINC001353581648 886285284 /nfs/dbraw/zinc/28/52/84/886285284.db2.gz LUULELYMEQSSHG-UHFFFAOYSA-N 2 0 284.404 -1.160 20 0 CAADRP C[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1[C@H](C[NH3+])C1(F)F ZINC001354463018 886313896 /nfs/dbraw/zinc/31/38/96/886313896.db2.gz VRRYLWZSPKZXRE-FXQIFTODSA-N 2 0 251.277 -1.135 20 0 CAADRP C[NH+]1CCN(CC[NH2+]C[C@H](O)C[C@]2(O)CCOC2)CC1 ZINC001356543994 886370635 /nfs/dbraw/zinc/37/06/35/886370635.db2.gz CBWBKGHXOJZHHC-ZIAGYGMSSA-N 2 0 287.404 -1.274 20 0 CAADRP [NH3+]CC1(C(=O)NC[C@H]2C[NH2+]CCCO2)CC(O)C1 ZINC001357486206 886409617 /nfs/dbraw/zinc/40/96/17/886409617.db2.gz KHQHNSZXAASLRL-SQLBVSGCSA-N 2 0 257.334 -1.419 20 0 CAADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@@H]1CC(=O)N(C2C[NH2+]C2)C1 ZINC001357958459 886417997 /nfs/dbraw/zinc/41/79/97/886417997.db2.gz WMCNFMVXOGRDHS-IQJOONFLSA-N 2 0 266.345 -1.327 20 0 CAADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)[C@H]1CC(=O)N(C2C[NH2+]C2)C1 ZINC001357969755 886418025 /nfs/dbraw/zinc/41/80/25/886418025.db2.gz ONCWNXVSGXXCHW-KXUCPTDWSA-N 2 0 266.345 -1.245 20 0 CAADRP C[NH2+]C[C@H](O)[C@H](C)C(=O)N1CCN(C)CC[N@H+](C)CC1 ZINC001358444736 886427569 /nfs/dbraw/zinc/42/75/69/886427569.db2.gz ONZKETUAYJJXMP-STQMWFEESA-N 2 0 286.420 -1.091 20 0 CAADRP C[C@@H](O)C[NH2+]C[C@@H](O)CN(C)C(=O)C[NH+]1CCCC1 ZINC001369486388 887576794 /nfs/dbraw/zinc/57/67/94/887576794.db2.gz SIRUYMOIKXFPOT-VXGBXAGGSA-N 2 0 273.377 -1.128 20 0 CAADRP O=C(NC[C@H](CO)[NH2+]CCO)[C@H]1C[NH+]2CCC1CC2 ZINC001394582367 888849779 /nfs/dbraw/zinc/84/97/79/888849779.db2.gz DPELSLNJXGUAHF-NEPJUHHUSA-N 2 0 271.361 -1.613 20 0 CAADRP C[C@@H](O)C[NH2+][C@@H](CO)CNC(=O)C1(C[NH+](C)C)CC1 ZINC001394621818 888863222 /nfs/dbraw/zinc/86/32/22/888863222.db2.gz NVYMTTNZAOIORV-GHMZBOCLSA-N 2 0 273.377 -1.224 20 0 CAADRP CN(C[C@@H](O)C[NH2+]CC(N)=O)C(=O)C1([NH+](C)C)CCC1 ZINC001394737492 888888723 /nfs/dbraw/zinc/88/87/23/888888723.db2.gz FTXWURKKEAGHFS-JTQLQIEISA-N 2 0 286.376 -1.635 20 0 CAADRP C[C@@H]([NH2+]C[C@@H](O)CNC(=O)C1CC[NH+](C)CC1)C(N)=O ZINC001401564124 889158294 /nfs/dbraw/zinc/15/82/94/889158294.db2.gz VSEPFXSXSNFHKD-MWLCHTKSSA-N 2 0 286.376 -1.731 20 0 CAADRP C[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]CC(=O)NC(N)=O ZINC001418320156 890208612 /nfs/dbraw/zinc/20/86/12/890208612.db2.gz VJVOPVLUMFDYNY-BDAKNGLRSA-N 2 0 285.348 -1.773 20 0 CAADRP CC[N@H+](C)CCC(=O)NC[C@H](O)C[NH2+][C@H]1CCNC1=O ZINC001420193045 890410292 /nfs/dbraw/zinc/41/02/92/890410292.db2.gz IFCCHGNFPOAUJH-MNOVXSKESA-N 2 0 286.376 -1.717 20 0 CAADRP O=S(=O)(NCCC[NH+]1CCC(O)CC1)C1C[NH2+]C1 ZINC000923616071 883997364 /nfs/dbraw/zinc/99/73/64/883997364.db2.gz KRMBAFAPXSWPNL-UHFFFAOYSA-N 2 0 277.390 -1.276 20 0 CAADRP CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H]([NH3+])[C@@H](C)O ZINC001157322932 884065257 /nfs/dbraw/zinc/06/52/57/884065257.db2.gz FAFOMSXQYGKBEA-VGMNWLOBSA-N 2 0 260.338 -1.946 20 0 CAADRP CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H]1C[NH2+]CCO1 ZINC001157322937 884065289 /nfs/dbraw/zinc/06/52/89/884065289.db2.gz FEXZSEYMNKHARN-VHSXEESVSA-N 2 0 272.349 -1.665 20 0 CAADRP CNC(=O)[C@H](CCCC[NH3+])NC(=O)/C=C/C(=O)NCC[NH3+] ZINC001157322897 884065326 /nfs/dbraw/zinc/06/53/26/884065326.db2.gz CJCQXQYSYVJDIU-PORFMDCZSA-N 2 0 299.375 -2.023 20 0 CAADRP CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H]1C[NH2+]CCO1 ZINC001157322936 884065369 /nfs/dbraw/zinc/06/53/69/884065369.db2.gz FEXZSEYMNKHARN-UWVGGRQHSA-N 2 0 272.349 -1.665 20 0 CAADRP C[NH+](C)CC1(O)CCN(c2nc(N)[nH+]c(N)n2)CC1 ZINC001307178390 884120974 /nfs/dbraw/zinc/12/09/74/884120974.db2.gz ZJLFVVJTKLHPKS-UHFFFAOYSA-N 2 0 267.337 -1.071 20 0 CAADRP C[N@H+](CCCNC(=O)[C@@H]1CC[NH+](C)C1)CC(=O)NC(N)=O ZINC001316864736 884159342 /nfs/dbraw/zinc/15/93/42/884159342.db2.gz AVPOTNMXBDGWPJ-SNVBAGLBSA-N 2 0 299.375 -1.429 20 0 CAADRP CNC(=O)C[NH2+][C@@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001317228051 884177675 /nfs/dbraw/zinc/17/76/75/884177675.db2.gz DYTYDISRRKQXBZ-UWVGGRQHSA-N 2 0 256.350 -1.079 20 0 CAADRP CN(CC[NH2+]CC(=O)NC(N)=O)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001317654096 884233604 /nfs/dbraw/zinc/23/36/04/884233604.db2.gz IATUFJBUEPPTPC-SNVBAGLBSA-N 2 0 299.375 -1.429 20 0 CAADRP C[C@@H]1[C@H](C(=O)NC[C@@H](O)C[NH2+]CCCO)CC[N@@H+]1C ZINC001320228556 884394771 /nfs/dbraw/zinc/39/47/71/884394771.db2.gz ABTHALGJFRUPFB-GRYCIOLGSA-N 2 0 273.377 -1.224 20 0 CAADRP C[C@@H]1[C@H](C(=O)NC[C@H](O)C[NH2+]CCCO)CC[N@@H+]1C ZINC001320228557 884395438 /nfs/dbraw/zinc/39/54/38/884395438.db2.gz ABTHALGJFRUPFB-IJLUTSLNSA-N 2 0 273.377 -1.224 20 0 CAADRP C[NH+](C)C1(C(=O)NC[C@H](O)C[NH2+]CCCO)CCC1 ZINC001320234729 884400036 /nfs/dbraw/zinc/40/00/36/884400036.db2.gz MMJINXKJJXQBGI-LLVKDONJSA-N 2 0 273.377 -1.080 20 0 CAADRP CC[C@@H](C(=O)NC[C@@H](O)C[NH2+]CC(N)=O)[NH+](C)C ZINC001320273694 884407930 /nfs/dbraw/zinc/40/79/30/884407930.db2.gz NMCCWGFGQURZLD-IUCAKERBSA-N 2 0 260.338 -2.121 20 0 CAADRP CC[C@@H](C(=O)NC[C@H](O)C[NH2+]CC(N)=O)[NH+](C)C ZINC001320273693 884408289 /nfs/dbraw/zinc/40/82/89/884408289.db2.gz NMCCWGFGQURZLD-BDAKNGLRSA-N 2 0 260.338 -2.121 20 0 CAADRP NC(=O)C[NH2+]C[C@@H](O)CNC(=O)C[NH+]1CCCC1 ZINC001320312610 884414747 /nfs/dbraw/zinc/41/47/47/884414747.db2.gz IOQLDMBGAKLQMN-SECBINFHSA-N 2 0 258.322 -2.366 20 0 CAADRP C[C@@H](CC[NH2+]CC(N)=O)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001320641317 884435558 /nfs/dbraw/zinc/43/55/58/884435558.db2.gz WRAOYLOTPFLWQJ-VHSXEESVSA-N 2 0 256.350 -1.092 20 0 CAADRP C[C@H](CC[NH2+]CC(=O)NC(N)=O)NC(=O)C[NH+]1CCCC1 ZINC001320640804 884435955 /nfs/dbraw/zinc/43/59/55/884435955.db2.gz VDKHVYQVWZFKGQ-SNVBAGLBSA-N 2 0 299.375 -1.239 20 0 CAADRP C[N@@H+]1CCC[C@@H]1C(=O)NC/C=C\C[NH2+]CC(=O)NC(N)=O ZINC001321188914 884476758 /nfs/dbraw/zinc/47/67/58/884476758.db2.gz KELCVABUQOSYAE-MXQLGCADSA-N 2 0 297.359 -1.463 20 0 CAADRP C[C@H](C[NH2+]CC(N)=O)NC(=O)C1(C[NH+](C)C)CC1 ZINC001321628541 884507403 /nfs/dbraw/zinc/50/74/03/884507403.db2.gz YIOWDTYHHVHYAI-SECBINFHSA-N 2 0 256.350 -1.092 20 0 CAADRP CNC(=O)C[NH2+]C[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001322042335 884536084 /nfs/dbraw/zinc/53/60/84/884536084.db2.gz QNEFZWSHDPVRQK-JTQLQIEISA-N 2 0 268.361 -1.078 20 0 CAADRP OC(CN1C[C@H]2C[NH2+]C[C@H]2C1)C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001322106988 884536491 /nfs/dbraw/zinc/53/64/91/884536491.db2.gz MVJNTSCNMZCKFT-KPWCQOOUSA-N 2 0 280.416 -1.350 20 0 CAADRP O[C@@H](CN1C[C@H]2C[NH2+]C[C@H]2C1)C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC001322106987 884538123 /nfs/dbraw/zinc/53/81/23/884538123.db2.gz MVJNTSCNMZCKFT-BTFPBAQTSA-N 3 0 280.416 -1.350 20 0 CAADRP COCCOCC[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC001325871058 884746887 /nfs/dbraw/zinc/74/68/87/884746887.db2.gz MPOCRHBTGXTXHZ-CYBMUJFWSA-N 2 0 275.393 -1.153 20 0 CAADRP Cn1ncc(CCC[NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)n1 ZINC001325852989 884749596 /nfs/dbraw/zinc/74/95/96/884749596.db2.gz DWWXJVPCNHNSIO-CQSZACIVSA-N 2 0 296.419 -1.054 20 0 CAADRP O=C(NCCC[NH+]1CCC(O)CC1)[C@H]1C[NH2+]CCO1 ZINC001326030517 884759365 /nfs/dbraw/zinc/75/93/65/884759365.db2.gz JDKFNIGNCQYRDI-GFCCVEGCSA-N 2 0 271.361 -1.062 20 0 CAADRP [NH3+]CCCn1cc(C(=O)NCCCN2CC[NH2+]CC2)nn1 ZINC001326038339 884759734 /nfs/dbraw/zinc/75/97/34/884759734.db2.gz OOKLCRBSQNGKFI-UHFFFAOYSA-N 2 0 295.391 -1.348 20 0 CAADRP [NH3+]CC(=O)NCC(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC001326061529 884761929 /nfs/dbraw/zinc/76/19/29/884761929.db2.gz DETBPURZZJAFDI-JTQLQIEISA-N 2 0 269.349 -2.433 20 0 CAADRP [NH3+]CC(=O)NCC(=O)N1CCC2(CC[NH2+]C2)CC1 ZINC001326062103 884764270 /nfs/dbraw/zinc/76/42/70/884764270.db2.gz IHBFZIDBGMSQID-UHFFFAOYSA-N 2 0 254.334 -1.337 20 0 CAADRP [NH3+]C[C@H]1CN(C(=O)COC2CC[NH2+]CC2)CCO1 ZINC001326093039 884766108 /nfs/dbraw/zinc/76/61/08/884766108.db2.gz OTMCFQKLFNKGSZ-NSHDSACASA-N 2 0 257.334 -1.059 20 0 CAADRP C[N@@H+]1CCCC[C@H]1C(=O)N(CCO)CC[NH2+]CC(N)=O ZINC001326073735 884766629 /nfs/dbraw/zinc/76/66/29/884766629.db2.gz LIUVBVDLGJZUHJ-NSHDSACASA-N 2 0 286.376 -1.634 20 0 CAADRP C[NH+]1CCC(C(=O)N(CCO)CC[NH2+]CCO)CC1 ZINC001326086940 884767790 /nfs/dbraw/zinc/76/77/90/884767790.db2.gz XFMHWUHIBGJMFO-UHFFFAOYSA-N 2 0 273.377 -1.269 20 0 CAADRP CN1CCN(Cc2cn(CC(N)=O)nn2)[C@H](C[NH3+])C1 ZINC001326203010 884773325 /nfs/dbraw/zinc/77/33/25/884773325.db2.gz YQSSUAAZBFGBAJ-SNVBAGLBSA-N 2 0 267.337 -2.162 20 0 CAADRP C[NH2+]C[C@H]1CCN(C(=O)CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC001326258278 884777241 /nfs/dbraw/zinc/77/72/41/884777241.db2.gz HZWJOENJDUTQGR-GHMZBOCLSA-N 2 0 268.361 -1.078 20 0 CAADRP [NH3+]CCCNC(=O)C[C@@]1(C(=O)NCCC[NH3+])CC[NH2+]C1 ZINC001326261059 884777528 /nfs/dbraw/zinc/77/75/28/884777528.db2.gz RBSZARWSRDPVDL-ZDUSSCGKSA-N 3 0 285.392 -1.714 20 0 CAADRP C[NH2+]C[C@H]1CCN(C(=O)CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC001326258280 884777711 /nfs/dbraw/zinc/77/77/11/884777711.db2.gz HZWJOENJDUTQGR-MNOVXSKESA-N 2 0 268.361 -1.078 20 0 CAADRP [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)[C@H]2CC[NH2+]2)C1 ZINC001326282626 884779420 /nfs/dbraw/zinc/77/94/20/884779420.db2.gz UGFRIROOCQPPHI-NXEZZACHSA-N 2 0 254.334 -1.338 20 0 CAADRP [NH3+]CC(=O)NCC(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001326324130 884784992 /nfs/dbraw/zinc/78/49/92/884784992.db2.gz XVGMMKHUXXAIAS-LBPRGKRZSA-N 2 0 254.334 -1.337 20 0 CAADRP [NH3+]CC(=O)NCC(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC001326376607 884792251 /nfs/dbraw/zinc/79/22/51/884792251.db2.gz WXBRAGSWBQUBKO-UHFFFAOYSA-N 2 0 254.334 -1.337 20 0 CAADRP CCOC(=O)[C@@H]1C[NH2+]CCN1CCN1CC[NH2+]CC1 ZINC001326584739 884809965 /nfs/dbraw/zinc/80/99/65/884809965.db2.gz YRQLOZCBCCVGHT-LBPRGKRZSA-N 2 0 270.377 -1.272 20 0 CAADRP C[NH+](C)CCOCCNC(=O)[C@H](N)CC[NH+](C)C ZINC001326605408 884810014 /nfs/dbraw/zinc/81/00/14/884810014.db2.gz ATOZAWFKNYVLHD-LLVKDONJSA-N 2 0 260.382 -1.040 20 0 CAADRP C[NH+](C)CCOCCNC(=O)[C@@H](N)CC[NH+](C)C ZINC001326605418 884810115 /nfs/dbraw/zinc/81/01/15/884810115.db2.gz ATOZAWFKNYVLHD-NSHDSACASA-N 2 0 260.382 -1.040 20 0 CAADRP CN(C)C(=O)CC[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC001326584993 884810135 /nfs/dbraw/zinc/81/01/35/884810135.db2.gz UTJFDBOSIMCMFB-GFCCVEGCSA-N 2 0 272.393 -1.337 20 0 CAADRP [NH3+]CC(=O)NCC(=O)NCc1ccc(C[NH3+])cc1F ZINC001326632598 884819127 /nfs/dbraw/zinc/81/91/27/884819127.db2.gz JHLMLXKUCHNPFH-UHFFFAOYSA-N 2 0 268.292 -1.025 20 0 CAADRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)NC[C@@H]2C[NH2+]CCO2)C1 ZINC001326807684 884835109 /nfs/dbraw/zinc/83/51/09/884835109.db2.gz SHROOCWTCGDXQT-TUAOUCFPSA-N 2 0 298.387 -1.453 20 0 CAADRP COC(=O)C[C@H]([NH3+])C(=O)NCCCN1CC[NH2+]CC1 ZINC001326819881 884839603 /nfs/dbraw/zinc/83/96/03/884839603.db2.gz ADZITXNNFJWZNM-JTQLQIEISA-N 2 0 272.349 -1.712 20 0 CAADRP O=C1N[C@]2(CCC[NH2+]C2)C(=O)N1C[C@@H]1C[NH2+]CCO1 ZINC001327018831 884853143 /nfs/dbraw/zinc/85/31/43/884853143.db2.gz UIMRYGHZFCFJBY-CABZTGNLSA-N 2 0 268.317 -1.351 20 0 CAADRP O=C(C[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1)N1CC[NH2+]CC1 ZINC001327088812 884860807 /nfs/dbraw/zinc/86/08/07/884860807.db2.gz CVYUQLDDUMUTCX-CYBMUJFWSA-N 3 0 281.404 -1.602 20 0 CAADRP [NH3+]CC(=O)NCC(=O)NCC[N@@H+]1CCCOCC1 ZINC001327106786 884863692 /nfs/dbraw/zinc/86/36/92/884863692.db2.gz HHCHPESWNWLWRZ-UHFFFAOYSA-N 2 0 258.322 -2.100 20 0 CAADRP C[NH2+][C@@H](C(=O)N1CCO[C@@H](C[NH3+])C1)c1cnn(C)c1 ZINC001327104259 884863860 /nfs/dbraw/zinc/86/38/60/884863860.db2.gz FWRNMXKUUMEZPZ-WDEREUQCSA-N 2 0 267.333 -1.133 20 0 CAADRP [NH3+]CC(=O)NCC(=O)Nc1cnc2c(c1)C[NH2+]CC2 ZINC001327121056 884864686 /nfs/dbraw/zinc/86/46/86/884864686.db2.gz OFMYPQWVUAXBRZ-UHFFFAOYSA-N 2 0 263.301 -1.259 20 0 CAADRP C[NH2+][C@H](C(=O)N1CCO[C@@H](C[NH3+])C1)c1cnn(C)c1 ZINC001327104256 884865349 /nfs/dbraw/zinc/86/53/49/884865349.db2.gz FWRNMXKUUMEZPZ-QWRGUYRKSA-N 2 0 267.333 -1.133 20 0 CAADRP C[NH2+][C@H](C(=O)N1CCO[C@H](C[NH3+])C1)c1cnn(C)c1 ZINC001327104254 884865424 /nfs/dbraw/zinc/86/54/24/884865424.db2.gz FWRNMXKUUMEZPZ-MNOVXSKESA-N 2 0 267.333 -1.133 20 0 CAADRP [NH3+]CCCNC(=O)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC001327470452 884890031 /nfs/dbraw/zinc/89/00/31/884890031.db2.gz AMCKUQNPJBCVOF-GFCCVEGCSA-N 2 0 298.387 -1.179 20 0 CAADRP CN(CCC[NH3+])C(=O)C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC001327470595 884890125 /nfs/dbraw/zinc/89/01/25/884890125.db2.gz FEBWIUYESUDYMA-LLVKDONJSA-N 2 0 285.392 -1.844 20 0 CAADRP CN(CCN1CC[NH2+]CC1)C(=O)[C@@H](N)CC[NH+](C)C ZINC001327450538 884891305 /nfs/dbraw/zinc/89/13/05/884891305.db2.gz UUXBZIRDKNXOFL-LBPRGKRZSA-N 2 0 271.409 -1.371 20 0 CAADRP [NH3+]CCCNC(=O)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC001327470453 884891535 /nfs/dbraw/zinc/89/15/35/884891535.db2.gz AMCKUQNPJBCVOF-LBPRGKRZSA-N 2 0 298.387 -1.179 20 0 CAADRP C[NH2+]CCNC(=O)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC001327515758 884898414 /nfs/dbraw/zinc/89/84/14/884898414.db2.gz PYXRGIUITQFIAH-LBPRGKRZSA-N 2 0 298.387 -1.309 20 0 CAADRP [NH3+]C[C@@H]1OCC[C@H]1C(=O)NCCCN1CC[NH2+]CC1 ZINC001327597179 884908977 /nfs/dbraw/zinc/90/89/77/884908977.db2.gz NKXUXIXNTKIWIA-NEPJUHHUSA-N 2 0 270.377 -1.238 20 0 CAADRP [NH3+]C[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC001327613241 884908825 /nfs/dbraw/zinc/90/88/25/884908825.db2.gz MBGJMKGJZMQBBK-DCAQKATOSA-N 2 0 257.334 -1.155 20 0 CAADRP C([C@H]1CNCCO1)[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC001327597713 884909421 /nfs/dbraw/zinc/90/94/21/884909421.db2.gz SPCWAUFUVUUCRF-QWHCGFSZSA-N 2 0 254.378 -1.046 20 0 CAADRP [NH3+]C[C@@H]1OCC[C@@H]1C(=O)NCCCN1CC[NH2+]CC1 ZINC001327597182 884909838 /nfs/dbraw/zinc/90/98/38/884909838.db2.gz NKXUXIXNTKIWIA-RYUDHWBXSA-N 2 0 270.377 -1.238 20 0 CAADRP NC(=O)CN1CCC[C@H](NC(=O)[C@H]2C[C@H]([NH3+])C2)C1 ZINC001327601149 884909879 /nfs/dbraw/zinc/90/98/79/884909879.db2.gz GXDXSZKNTIQYSY-GUBZILKMSA-N 2 0 254.334 -1.210 20 0 CAADRP O=C(CO[C@@H]1CCC[NH2+]C1)N1CCOC2(C[NH2+]C2)C1 ZINC001327704769 884919796 /nfs/dbraw/zinc/91/97/96/884919796.db2.gz QCSWQBJIBSIDMP-LLVKDONJSA-N 2 0 269.345 -1.044 20 0 CAADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)C1=NO[C@H](C[NH3+])C1 ZINC001327929142 884940888 /nfs/dbraw/zinc/94/08/88/884940888.db2.gz OAJOFZMTEKMFFB-UWVGGRQHSA-N 2 0 269.349 -1.548 20 0 CAADRP [NH3+]CCOCC(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC001328203743 884958363 /nfs/dbraw/zinc/95/83/63/884958363.db2.gz QPSOXLBQPBFAOZ-LLVKDONJSA-N 2 0 256.350 -1.532 20 0 CAADRP C[N@@H+]1CC[C@H](C(=O)N2CCC(O)(C[NH2+]CCO)CC2)C1 ZINC001328217649 884961447 /nfs/dbraw/zinc/96/14/47/884961447.db2.gz KMAGRISYSWRXHS-LBPRGKRZSA-N 2 0 285.388 -1.127 20 0 CAADRP C[NH2+]C[C@H](C)NC(=O)C(=O)NC1CC[NH+](C)CC1 ZINC001328349283 884973149 /nfs/dbraw/zinc/97/31/49/884973149.db2.gz HBBNQJKYKNJOBP-VIFPVBQESA-N 2 0 256.350 -1.079 20 0 CAADRP C[C@@H](CCNC(=O)Cc1c[nH]cn1)[NH2+]CC(N)=O ZINC001328413654 884982536 /nfs/dbraw/zinc/98/25/36/884982536.db2.gz GCMISVWHNDKEIX-QMMMGPOBSA-N 2 0 253.306 -1.078 20 0 CAADRP CCOC(=O)[C@H]1C[NH2+]CCN1C[C@@H]1C[NH2+]CCO1 ZINC001328437784 884988692 /nfs/dbraw/zinc/98/86/92/884988692.db2.gz SDVXSMZSTMWPMS-WDEREUQCSA-N 2 0 257.334 -1.188 20 0 CAADRP O=C(CN1CC[NH2+]C[C@@H]1C(F)F)N1CC[NH2+]CC1 ZINC001328493421 884990134 /nfs/dbraw/zinc/99/01/34/884990134.db2.gz UPBAGLFPGIQMRA-SECBINFHSA-N 2 0 262.304 -1.043 20 0 CAADRP O=C(NC1CC[NH+]([C@H]2CCOC2)CC1)C1(O)C[NH2+]C1 ZINC001328456467 884990536 /nfs/dbraw/zinc/99/05/36/884990536.db2.gz WYGXNXIXFKHWJL-NSHDSACASA-N 2 0 269.345 -1.310 20 0 CAADRP O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)C1(O)C[NH2+]C1 ZINC001328456465 884990910 /nfs/dbraw/zinc/99/09/10/884990910.db2.gz WYGXNXIXFKHWJL-LLVKDONJSA-N 2 0 269.345 -1.310 20 0 CAADRP C[NH+](C)CC[C@@H](N)C(=O)N1CCOC2(C[NH2+]C2)C1 ZINC001328479241 884991596 /nfs/dbraw/zinc/99/15/96/884991596.db2.gz VNNKPBVODKRAEJ-SNVBAGLBSA-N 2 0 256.350 -1.534 20 0 CAADRP [NH3+]CC(=O)NCC(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC001328524878 884996666 /nfs/dbraw/zinc/99/66/66/884996666.db2.gz MMXTVZHHVMMTQB-GFCCVEGCSA-N 2 0 254.334 -1.337 20 0 CAADRP C[NH+](C)CC[C@@H](N)C(=O)NCCCN1CC[NH2+]CC1 ZINC001328842178 885027072 /nfs/dbraw/zinc/02/70/72/885027072.db2.gz UIJUZGDTZDYGOP-GFCCVEGCSA-N 2 0 271.409 -1.323 20 0 CAADRP C[NH2+]CCOCCNC(=O)NCC1(O)CC[NH+](C)CC1 ZINC001328965776 885040970 /nfs/dbraw/zinc/04/09/70/885040970.db2.gz QOFANEKAPLTSBJ-UHFFFAOYSA-N 2 0 288.392 -1.022 20 0 CAADRP COCC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CC[NH2+]C2)CC1 ZINC001328973299 885041906 /nfs/dbraw/zinc/04/19/06/885041906.db2.gz KSVRXFJTPMVASZ-GFCCVEGCSA-N 2 0 298.387 -1.309 20 0 CAADRP CC(C)C(=O)NCC[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC001329133186 885069245 /nfs/dbraw/zinc/06/92/45/885069245.db2.gz AOKKSCNFVNKBON-CYBMUJFWSA-N 2 0 286.420 -1.044 20 0 CAADRP C[NH+]1CCN(C[C@H](O)C[NH2+]CCN2CC[C@@H](O)C2)CC1 ZINC001329237577 885076673 /nfs/dbraw/zinc/07/66/73/885076673.db2.gz VNBMPDYKHMEMCU-ZIAGYGMSSA-N 2 0 286.420 -1.749 20 0 CAADRP C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)CNC(=O)C[NH3+] ZINC001329273597 885084814 /nfs/dbraw/zinc/08/48/14/885084814.db2.gz SDRRHFOOQGXWRS-ZJUUUORDSA-N 2 0 256.350 -1.140 20 0 CAADRP O=C(N[C@@H]1CC[NH2+]C1)C(=O)N[C@@H]1CCn2ccnc2C1 ZINC001329446538 885103404 /nfs/dbraw/zinc/10/34/04/885103404.db2.gz JKPSVRXKVIHTJA-NXEZZACHSA-N 2 0 277.328 -1.208 20 0 CAADRP C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC001329466331 885105823 /nfs/dbraw/zinc/10/58/23/885105823.db2.gz AMCMZNOAEGKOFD-QJPTWQEYSA-N 2 0 299.419 -1.410 20 0 CAADRP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC001329466332 885107912 /nfs/dbraw/zinc/10/79/12/885107912.db2.gz AMCMZNOAEGKOFD-SDDRHHMPSA-N 2 0 299.419 -1.410 20 0 CAADRP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](CCN2CC[NH2+]CC2)C1 ZINC001329490446 885110941 /nfs/dbraw/zinc/11/09/41/885110941.db2.gz LMPDNWKNBOELKU-CYBMUJFWSA-N 3 0 283.420 -1.322 20 0 CAADRP O=C(CC[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1)N1CC[NH2+]CC1 ZINC001329498688 885111010 /nfs/dbraw/zinc/11/10/10/885111010.db2.gz HCUGNFCTEWQREG-CQSZACIVSA-N 3 0 295.431 -1.212 20 0 CAADRP C[C@@H]([NH3+])C(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC001329594296 885120012 /nfs/dbraw/zinc/12/00/12/885120012.db2.gz WFTMDVGHUHLYCJ-KYXWUPHJSA-N 2 0 268.317 -1.273 20 0 CAADRP C[C@H]([NH3+])C(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC001329652498 885127499 /nfs/dbraw/zinc/12/74/99/885127499.db2.gz WFTMDVGHUHLYCJ-JLIMGVALSA-N 2 0 268.317 -1.273 20 0 CAADRP C[NH2+]CCNS(=O)(=O)CCCN1CC[NH+](C)CC1 ZINC001329755936 885139874 /nfs/dbraw/zinc/13/98/74/885139874.db2.gz WZZDSZKCGBWPCB-UHFFFAOYSA-N 2 0 278.422 -1.237 20 0 CAADRP [NH3+]CCn1cc(C(=O)NCC2CC[NH2+]CC2)nn1 ZINC001329809273 885142298 /nfs/dbraw/zinc/14/22/98/885142298.db2.gz NQEDGAAPPLCCDL-UHFFFAOYSA-N 2 0 252.322 -1.034 20 0 CAADRP [NH3+]C[C@@H]1CCN(C(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)C1 ZINC001329974608 885163054 /nfs/dbraw/zinc/16/30/54/885163054.db2.gz VUBDOVWBPLLHKN-SDDRHHMPSA-N 2 0 296.371 -1.929 20 0 CAADRP C[NH+]1CCN(C[C@H](O)C[NH2+][C@@H]2COC[C@@H]2O)CC1 ZINC001330081996 885173310 /nfs/dbraw/zinc/17/33/10/885173310.db2.gz LWDYAKKKOLQZJB-UTUOFQBUSA-N 2 0 259.350 -2.056 20 0 CAADRP Cn1cc(C[N@H+](C)CCOCC[NH3+])c(=O)n(C)c1=O ZINC001330196775 885182839 /nfs/dbraw/zinc/18/28/39/885182839.db2.gz CGBDQZMXSLGGRD-UHFFFAOYSA-N 2 0 270.333 -1.509 20 0 CAADRP [NH3+]C[C@@H]1CCN(S(=O)(=O)C[C@H]2C[NH2+]CCO2)C1 ZINC001330365625 885188046 /nfs/dbraw/zinc/18/80/46/885188046.db2.gz MZPMFIBSOHKLSV-VHSXEESVSA-N 2 0 263.363 -1.415 20 0 CAADRP C[C@H]([NH3+])CNS(=O)(=O)N(C)C1CC[NH2+]CC1 ZINC001330365582 885188976 /nfs/dbraw/zinc/18/89/76/885188976.db2.gz LYSVIFYUBPCDFR-QMMMGPOBSA-N 2 0 250.368 -1.148 20 0 CAADRP [NH3+]C[C@H]1CCN(S(=O)(=O)C[C@@H]2C[NH2+]CCO2)C1 ZINC001330365626 885191444 /nfs/dbraw/zinc/19/14/44/885191444.db2.gz MZPMFIBSOHKLSV-ZJUUUORDSA-N 2 0 263.363 -1.415 20 0 CAADRP C[NH+](C)C[C@H]1CCN(C(=O)C(=O)N[C@H]2CC[NH2+]C2)C1 ZINC001330531969 885202305 /nfs/dbraw/zinc/20/23/05/885202305.db2.gz PBQIVLDZOAQTMO-MNOVXSKESA-N 2 0 268.361 -1.125 20 0 CAADRP C([C@@H]1C[NH2+]CCO1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC001330584882 885206847 /nfs/dbraw/zinc/20/68/47/885206847.db2.gz PJCKSXVRGYVEFG-OLZOCXBDSA-N 2 0 254.378 -1.046 20 0 CAADRP C[NH+]1CCN(CCCNC(=O)C2=NO[C@H](C[NH3+])C2)CC1 ZINC001330592288 885209472 /nfs/dbraw/zinc/20/94/72/885209472.db2.gz PAJDWBOQWSFHRW-NSHDSACASA-N 2 0 283.376 -1.156 20 0 CAADRP C[NH+]1CCN(CCCNC(=O)C2=NO[C@@H](C[NH3+])C2)CC1 ZINC001330592287 885209965 /nfs/dbraw/zinc/20/99/65/885209965.db2.gz PAJDWBOQWSFHRW-LLVKDONJSA-N 2 0 283.376 -1.156 20 0 CAADRP C[N@@H+]1CC[C@@H]2CN(C(=O)CNC(=O)C[NH3+])CC[C@@H]21 ZINC001330649297 885214360 /nfs/dbraw/zinc/21/43/60/885214360.db2.gz XQHMSUIUCDCEQF-ZJUUUORDSA-N 2 0 254.334 -1.386 20 0 CAADRP C[C@H]([NH3+])CCNC(=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001330859135 885234304 /nfs/dbraw/zinc/23/43/04/885234304.db2.gz BLTUTGXUXJULPP-SRVKXCTJSA-N 2 0 298.387 -1.181 20 0 CAADRP [NH3+]Cc1ncc(C(=O)NCCCN2CC[NH2+]CC2)cn1 ZINC001331026206 885245377 /nfs/dbraw/zinc/24/53/77/885245377.db2.gz NSZIYFRZBDSCNA-UHFFFAOYSA-N 2 0 278.360 -1.040 20 0 CAADRP O=C(CN1CC[NH2+]CC1)N1CCOC2(C[NH2+]C2)C1 ZINC001331052594 885250745 /nfs/dbraw/zinc/25/07/45/885250745.db2.gz GWMZAJPDLLSJDH-UHFFFAOYSA-N 2 0 254.334 -1.908 20 0 CAADRP CN1CCN(C(=O)C[N@H+](C)C[C@H]2CNC(=O)C2)CC1 ZINC001331142509 885252920 /nfs/dbraw/zinc/25/29/20/885252920.db2.gz BSPYBWKIZMSDLB-LLVKDONJSA-N 2 0 268.361 -1.172 20 0 CAADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)N1CCC[C@@H]1C[NH3+] ZINC001331588169 885291458 /nfs/dbraw/zinc/29/14/58/885291458.db2.gz ZBCXIULOALJEPD-NEPJUHHUSA-N 2 0 297.403 -1.702 20 0 CAADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)N1CCC[C@@H]1C[NH3+] ZINC001331588171 885293269 /nfs/dbraw/zinc/29/32/69/885293269.db2.gz ZBCXIULOALJEPD-VXGBXAGGSA-N 2 0 297.403 -1.702 20 0 CAADRP O=C(CN1C(=O)N[C@@]2(CCC[NH2+]C2)C1=O)N1CC[NH2+]CC1 ZINC001332141172 885382825 /nfs/dbraw/zinc/38/28/25/885382825.db2.gz CEXIWRVMZXQVAK-CYBMUJFWSA-N 2 0 295.343 -1.908 20 0 CAADRP [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)NCC(=O)N2CC[NH2+]CC2)C1 ZINC001332229694 885391575 /nfs/dbraw/zinc/39/15/75/885391575.db2.gz XLPNESOONBFUDY-OPQQBVKSSA-N 2 0 266.345 -1.338 20 0 CAADRP Cn1cnc(CCNC(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)c1 ZINC001332254037 885391621 /nfs/dbraw/zinc/39/16/21/885391621.db2.gz UCYWFSXRZMTPFE-QWRGUYRKSA-N 2 0 277.328 -1.349 20 0 CAADRP C[NH+](C)CCOCCNC(=O)C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC001332287243 885396892 /nfs/dbraw/zinc/39/68/92/885396892.db2.gz JPMUUUXEXVRYNL-XYPYZODXSA-N 2 0 286.376 -1.466 20 0 CAADRP C[NH+]1CCN(CCNC(=O)[C@@H]2[NH2+]C[C@@H]3C[C@@H]32)CC1 ZINC001332292247 885398412 /nfs/dbraw/zinc/39/84/12/885398412.db2.gz NJGMFFCVMFIMPJ-SDDRHHMPSA-N 2 0 252.362 -1.042 20 0 CAADRP CN1C(=O)[C@H]2C[N@@H+]([C@H]3C[C@H]([NH3+])C[C@@H]3O)C[C@H]2C1=O ZINC001332333873 885401244 /nfs/dbraw/zinc/40/12/44/885401244.db2.gz FNBUHEAPOMWNJY-CIQUZCHMSA-N 2 0 253.302 -1.616 20 0 CAADRP C[NH+]1CCN(C[C@H](O)C[NH2+]CCCOCCO)CC1 ZINC001332361291 885403541 /nfs/dbraw/zinc/40/35/41/885403541.db2.gz YEBPGKKJMHLPSW-CYBMUJFWSA-N 2 0 275.393 -1.417 20 0 CAADRP COC1(C(=O)NC[C@H]2C[NH2+]CCO2)CC[NH2+]CC1 ZINC001332449590 885410698 /nfs/dbraw/zinc/41/06/98/885410698.db2.gz JIAVRSHWHPGEFO-SNVBAGLBSA-N 2 0 257.334 -1.140 20 0 CAADRP C[C@@H]1CC[N@H+](CC(=O)N(C)C[C@@H](O)C[NH2+]CCO)C1 ZINC001332566302 885421418 /nfs/dbraw/zinc/42/14/18/885421418.db2.gz NROVOGVCMYEKNN-NEPJUHHUSA-N 2 0 273.377 -1.271 20 0 CAADRP C[NH2+]C[C@](C)(O)C[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC001332629042 885429539 /nfs/dbraw/zinc/42/95/39/885429539.db2.gz YSHJFOFYSNJWLX-OLZOCXBDSA-N 3 0 256.394 -1.064 20 0 CAADRP C[NH2+]C[C@@](C)(O)C[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC001332629040 885430354 /nfs/dbraw/zinc/43/03/54/885430354.db2.gz YSHJFOFYSNJWLX-CHWSQXEVSA-N 3 0 256.394 -1.064 20 0 CAADRP C[NH2+]CCNC(=O)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC001332944082 885450004 /nfs/dbraw/zinc/45/00/04/885450004.db2.gz CLSNHVCMWAQSER-AOOOYVTPSA-N 2 0 256.350 -1.222 20 0 CAADRP O=C(NCCN1CC[NH2+]CC1)[C@@H](F)[C@@H]1CC[NH2+]C1 ZINC001332958809 885450223 /nfs/dbraw/zinc/45/02/23/885450223.db2.gz NNDOJYOIMFJJEH-MNOVXSKESA-N 2 0 258.341 -1.045 20 0 CAADRP O=C(NCCN1CC[NH2+]CC1)[C@H](F)[C@H]1CC[NH2+]C1 ZINC001332958811 885450712 /nfs/dbraw/zinc/45/07/12/885450712.db2.gz NNDOJYOIMFJJEH-WDEREUQCSA-N 2 0 258.341 -1.045 20 0 CAADRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)C1 ZINC001332945811 885451830 /nfs/dbraw/zinc/45/18/30/885451830.db2.gz QHPIBGGGDCSYLZ-TUAOUCFPSA-N 2 0 298.387 -1.371 20 0 CAADRP COCC[C@@H]([NH3+])C(=O)N(C)CCN1CC[NH2+]CC1 ZINC001333177073 885460895 /nfs/dbraw/zinc/46/08/95/885460895.db2.gz BAVIRBJVWHDKJO-LLVKDONJSA-N 2 0 258.366 -1.286 20 0 CAADRP [NH3+][C@H]1CC=C(C(=O)NCC(=O)N2CC[NH2+]CC2)C1 ZINC001333307693 885470799 /nfs/dbraw/zinc/47/07/99/885470799.db2.gz RDTIWHSNYFOGIV-JTQLQIEISA-N 2 0 252.318 -1.418 20 0 CAADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)NCCC(C)(C)[NH3+] ZINC001333378599 885473887 /nfs/dbraw/zinc/47/38/87/885473887.db2.gz MLCDLHKCONGCPZ-NSHDSACASA-N 2 0 299.419 -1.408 20 0 CAADRP [NH3+]C1(CNC(=O)C[C@H]2COCC[NH2+]2)CCOCC1 ZINC001333353014 885475321 /nfs/dbraw/zinc/47/53/21/885475321.db2.gz ORIQGLHBOVFXHI-JTQLQIEISA-N 2 0 257.334 -1.011 20 0 CAADRP COCC[N@H+](C)CCNC(=O)C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC001333405691 885477113 /nfs/dbraw/zinc/47/71/13/885477113.db2.gz NKUUTSXTHPCNKC-PHIMTYICSA-N 2 0 286.376 -1.466 20 0 CAADRP C[N@@H+]1CC[C@H]2CN(C(=O)C(=O)NCC3C[NH2+]C3)CC[C@H]21 ZINC001333423497 885479546 /nfs/dbraw/zinc/47/95/46/885479546.db2.gz OIRRTAOKNBZTAH-NWDGAFQWSA-N 2 0 280.372 -1.125 20 0 CAADRP C[N@@H+]1CC[C@H]2CN(C(=O)C(=O)NCC3C[NH2+]C3)CC[C@@H]21 ZINC001333423499 885479734 /nfs/dbraw/zinc/47/97/34/885479734.db2.gz OIRRTAOKNBZTAH-RYUDHWBXSA-N 2 0 280.372 -1.125 20 0 CAADRP C[C@@H]([NH3+])CNC(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC001333531616 885486412 /nfs/dbraw/zinc/48/64/12/885486412.db2.gz CMGZWBZMBUQCDS-ZCFIWIBFSA-N 2 0 254.294 -1.213 20 0 CAADRP C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CC[N@H+](C)[C@@H]3C2)C[C@H]1[NH3+] ZINC001333616743 885497083 /nfs/dbraw/zinc/49/70/83/885497083.db2.gz NVGVWOHTNHJESA-WRWGMCAJSA-N 2 0 280.372 -1.046 20 0 CAADRP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)C1(O)C[NH2+]C1 ZINC001333635447 885498945 /nfs/dbraw/zinc/49/89/45/885498945.db2.gz HYNJYHCOCALKSN-JTQLQIEISA-N 2 0 256.350 -1.927 20 0 CAADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)C1(O)C[NH2+]C1 ZINC001333635448 885500162 /nfs/dbraw/zinc/50/01/62/885500162.db2.gz HYNJYHCOCALKSN-SNVBAGLBSA-N 2 0 256.350 -1.927 20 0 CAADRP CN(CC[NH+](C)C)C(=O)C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC001334004738 885516519 /nfs/dbraw/zinc/51/65/19/885516519.db2.gz CPAOFKDHXBYCES-AOOOYVTPSA-N 2 0 256.350 -1.140 20 0 CAADRP O=C(N[C@H]1CC[N@@H+](C2CC2)C1)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC001333942280 885512440 /nfs/dbraw/zinc/51/24/40/885512440.db2.gz DGOCOCOZJAKOTJ-NHCYSSNCSA-N 2 0 278.356 -1.088 20 0 CAADRP NS(=O)(=O)C[C@@H]1CC[N@H+](CCOCC[NH3+])C1 ZINC001335182403 885588760 /nfs/dbraw/zinc/58/87/60/885588760.db2.gz WBIJMZMVILACBD-SECBINFHSA-N 2 0 251.352 -1.428 20 0 CAADRP COCC[N@H+](C)CCNC(=O)C(=O)N[C@H]1C[C@H](C[NH3+])C1 ZINC001335187023 885589381 /nfs/dbraw/zinc/58/93/81/885589381.db2.gz LNDWFBPDCOWNKZ-XYPYZODXSA-N 2 0 286.376 -1.466 20 0 CAADRP NS(=O)(=O)C[C@H]1CC[N@H+](CCOCC[NH3+])C1 ZINC001335182410 885589878 /nfs/dbraw/zinc/58/98/78/885589878.db2.gz WBIJMZMVILACBD-VIFPVBQESA-N 2 0 251.352 -1.428 20 0 CAADRP O=C(CN1C[C@@H]2CC[NH2+]C[C@@H]2C1)N1CC[NH2+]CC1 ZINC001335180431 885590422 /nfs/dbraw/zinc/59/04/22/885590422.db2.gz GRZQSXDYHVSLDC-NWDGAFQWSA-N 3 0 252.362 -1.041 20 0 CAADRP CC[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2COCC[NH2+]2)CC1 ZINC001335217874 885591781 /nfs/dbraw/zinc/59/17/81/885591781.db2.gz TZPDUOICCWGBOG-GFCCVEGCSA-N 2 0 298.387 -1.309 20 0 CAADRP CCO[C@@H](CNC(=O)C(=O)NCC1C[NH2+]C1)C[NH+](C)C ZINC001335204100 885592314 /nfs/dbraw/zinc/59/23/14/885592314.db2.gz FJWFPZXURDAYQI-NSHDSACASA-N 2 0 286.376 -1.595 20 0 CAADRP C[NH+]1CCC(NC(=O)C(=O)NCCOCCC[NH3+])CC1 ZINC001335215953 885593201 /nfs/dbraw/zinc/59/32/01/885593201.db2.gz ICHZHGLFZCVHIF-UHFFFAOYSA-N 2 0 286.376 -1.322 20 0 CAADRP C[C@@H]([NH2+]CC[C@@H]1CNCCS1(=O)=O)C1C[NH2+]C1 ZINC001335266550 885602941 /nfs/dbraw/zinc/60/29/41/885602941.db2.gz GDRRJKPAVMNDEZ-MWLCHTKSSA-N 2 0 261.391 -1.039 20 0 CAADRP C[C@@]1(C(=O)NCCCN2CC[NH2+]CC2)C[C@@H](O)C[NH2+]1 ZINC001335307473 885609773 /nfs/dbraw/zinc/60/97/73/885609773.db2.gz DPCDFPZMWCZHPX-YPMHNXCESA-N 2 0 270.377 -1.489 20 0 CAADRP C[C@]1(C(=O)NCCN2CC[NH2+]CC2)C[C@@H](O)C[NH2+]1 ZINC001335306956 885610362 /nfs/dbraw/zinc/61/03/62/885610362.db2.gz ADFDFMMHWRLEQA-ZYHUDNBSSA-N 2 0 256.350 -1.879 20 0 CAADRP C[NH+]1CCN(CC[NH2+]C[C@@H](O)C2(O)CCOCC2)CC1 ZINC001335327684 885612904 /nfs/dbraw/zinc/61/29/04/885612904.db2.gz OOLNWJDQKVZNSG-CYBMUJFWSA-N 2 0 287.404 -1.274 20 0 CAADRP COC(=O)COCC[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC001335383989 885616792 /nfs/dbraw/zinc/61/67/92/885616792.db2.gz YEMYEEORLUIPQF-GFCCVEGCSA-N 2 0 289.376 -1.626 20 0 CAADRP CC[NH+]1CCN(CC[NH2+]CCC(=O)NC(N)=O)CC1 ZINC001335933603 885643499 /nfs/dbraw/zinc/64/34/99/885643499.db2.gz KNLQUJZHYYYTSP-UHFFFAOYSA-N 2 0 271.365 -1.202 20 0 CAADRP COCC[N@H+](C)CCNC(=O)N1CCNCC[NH2+]CC1 ZINC001335998745 885643628 /nfs/dbraw/zinc/64/36/28/885643628.db2.gz ABQVFIIQRAXKOA-UHFFFAOYSA-N 2 0 287.408 -1.231 20 0 CAADRP O=C(N[C@H]1CCC[NH2+]C1)N1CCNCC[NH2+]CC1 ZINC001336125656 885649601 /nfs/dbraw/zinc/64/96/01/885649601.db2.gz VNLDFNGJDSMLCV-NSHDSACASA-N 2 0 255.366 -1.057 20 0 CAADRP C[C@@H]1C[NH2+]C[C@H]1NC(=O)NC[C@@]1(O)CC[N@H+](C)C1 ZINC001336163282 885650646 /nfs/dbraw/zinc/65/06/46/885650646.db2.gz MWRJGZMNNDYDNQ-FOGDFJRCSA-N 2 0 256.350 -1.040 20 0 CAADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]CCO[C@@H]2CCOC2)CC1 ZINC001336307249 885655273 /nfs/dbraw/zinc/65/52/73/885655273.db2.gz HFCQEOVAAFJLGN-UONOGXRCSA-N 2 0 287.404 -1.010 20 0 CAADRP C[C@@H](NC(=O)C(=O)N[C@H]1C[C@H](C[NH3+])C1)[C@@H]1CN(C)CCO1 ZINC001336631433 885671688 /nfs/dbraw/zinc/67/16/88/885671688.db2.gz PRQYGGIUVJSSIG-KKOKHZNYSA-N 2 0 298.387 -1.325 20 0 CAADRP COCCOC[C@@H](O)C[NH2+]CCN1CC[NH+](C)CC1 ZINC001336756223 885681225 /nfs/dbraw/zinc/68/12/25/885681225.db2.gz LKIJMHUVELODPI-ZDUSSCGKSA-N 2 0 275.393 -1.153 20 0 CAADRP [NH3+]CCCn1cc(C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)nn1 ZINC001336741799 885681863 /nfs/dbraw/zinc/68/18/63/885681863.db2.gz DNHHORVNRDGNCM-IUCAKERBSA-N 2 0 250.306 -1.187 20 0 CAADRP COCC[NH2+]CCNC(=O)c1c(C[NH3+])cnn1C ZINC001336723447 885682438 /nfs/dbraw/zinc/68/24/38/885682438.db2.gz WAHUJCCPTUICGA-UHFFFAOYSA-N 2 0 255.322 -1.155 20 0 CAADRP COCC[N@@H+]1CC[C@@H](NC(=O)N2CCNCC[NH2+]CC2)C1 ZINC001336829089 885684140 /nfs/dbraw/zinc/68/41/40/885684140.db2.gz CCEWQJCCOAIWAF-CYBMUJFWSA-N 2 0 299.419 -1.089 20 0 CAADRP COCC[N@@H+]1CC[C@H](NC(=O)N2CCNCC[NH2+]CC2)C1 ZINC001336829090 885684299 /nfs/dbraw/zinc/68/42/99/885684299.db2.gz CCEWQJCCOAIWAF-ZDUSSCGKSA-N 2 0 299.419 -1.089 20 0 CAADRP C[NH+]1CCN(C[C@H](O)C[NH2+]CC[C@]2(O)CCOC2)CC1 ZINC001336799161 885684448 /nfs/dbraw/zinc/68/44/48/885684448.db2.gz KYPMYXDVGTXBJF-KGLIPLIRSA-N 2 0 287.404 -1.274 20 0 CAADRP COC[C@@H]1C[NH2+]CCN1C(=O)NCCCN1CC[NH2+]CC1 ZINC001336882767 885684475 /nfs/dbraw/zinc/68/44/75/885684475.db2.gz DDXSOMIGYBXGQC-ZDUSSCGKSA-N 2 0 299.419 -1.089 20 0 CAADRP CNC(=O)NCC[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC001336837811 885685492 /nfs/dbraw/zinc/68/54/92/885685492.db2.gz AZESDGUSJHOLFB-LLVKDONJSA-N 2 0 273.381 -1.887 20 0 CAADRP [NH3+]C1CCN(CCNC(=O)NCCN2CC[NH2+]CC2)CC1 ZINC001336885889 885686131 /nfs/dbraw/zinc/68/61/31/885686131.db2.gz UPWWLQKFCGRMLN-UHFFFAOYSA-N 2 0 298.435 -1.386 20 0 CAADRP C[C@@H]1C[NH2+]C[C@H]1NC(=O)NCC(=O)N1CC[NH2+]CC1 ZINC001336907291 885687713 /nfs/dbraw/zinc/68/77/13/885687713.db2.gz HSAJNKIRWWBQFT-NXEZZACHSA-N 2 0 269.349 -1.675 20 0 CAADRP [NH3+]C[C@H](NC(=O)N1CCNCC[NH2+]CC1)C1CC1 ZINC001336905298 885688142 /nfs/dbraw/zinc/68/81/42/885688142.db2.gz DENRMGJFAQPEGB-NSHDSACASA-N 2 0 255.366 -1.072 20 0 CAADRP COCC[NH2+]CCNC(=O)N1CC[NH2+]C[C@H]1COC ZINC001336919514 885688719 /nfs/dbraw/zinc/68/87/19/885688719.db2.gz VRVPNQPHBYTRSW-NSHDSACASA-N 2 0 274.365 -1.148 20 0 CAADRP [NH3+]C[C@@H](NC(=O)N1CCNCC[NH2+]CC1)C1CC1 ZINC001336905297 885688828 /nfs/dbraw/zinc/68/88/28/885688828.db2.gz DENRMGJFAQPEGB-LLVKDONJSA-N 2 0 255.366 -1.072 20 0 CAADRP CN1CCN(C(=O)NCCN2CCC([NH3+])CC2)[C@@H](C[NH3+])C1 ZINC001336941228 885688843 /nfs/dbraw/zinc/68/88/43/885688843.db2.gz IUKGIZYKHFVIDO-ZDUSSCGKSA-N 2 0 298.435 -1.306 20 0 CAADRP [NH3+]Cc1nc2c(s1)CCN(C(=O)C1(O)C[NH2+]C1)C2 ZINC001337052107 885691097 /nfs/dbraw/zinc/69/10/97/885691097.db2.gz GMNZRKOQBNYXJH-UHFFFAOYSA-N 2 0 268.342 -1.179 20 0 CAADRP [NH3+][C@@H]1CCN(C(=O)[C@H]2CC(=O)N(C3C[NH2+]C3)C2)C1 ZINC001339709449 885776769 /nfs/dbraw/zinc/77/67/69/885776769.db2.gz LKYNTMZFJOMHRK-DTWKUNHWSA-N 2 0 252.318 -1.634 20 0 CAADRP NC(=O)C12CCC(CC1)N2CC(=O)N1CC[NH2+]CC1 ZINC001339932350 885783598 /nfs/dbraw/zinc/78/35/98/885783598.db2.gz IGWRDPDLPMJROY-UHFFFAOYSA-N 2 0 266.345 -1.100 20 0 CAADRP [NH3+]CCN1CCC[C@@H](C(=O)NC[C@H]2C[NH2+]CCCO2)C1=O ZINC001340312641 885797696 /nfs/dbraw/zinc/79/76/96/885797696.db2.gz NZOSQHOAZFHWQB-NEPJUHHUSA-N 2 0 298.387 -1.322 20 0 CAADRP CC(C)[C@H]([NH3+])C(=O)NCCC(=O)NCC1C[NH2+]C1 ZINC001340262816 885798969 /nfs/dbraw/zinc/79/89/69/885798969.db2.gz RZWFBQDHIKHMCO-NSHDSACASA-N 2 0 256.350 -1.188 20 0 CAADRP O=C([C@@H]1CC(=O)N(C2C[NH2+]C2)C1)N1CCC[NH2+]CC1 ZINC001340464155 885802052 /nfs/dbraw/zinc/80/20/52/885802052.db2.gz TUZIPMIDWUTJSG-SNVBAGLBSA-N 2 0 266.345 -1.371 20 0 CAADRP O=C(NC1CC[NH2+]CC1)[C@H]1CC(=O)N(C2C[NH2+]C2)C1 ZINC001340465357 885803389 /nfs/dbraw/zinc/80/33/89/885803389.db2.gz ZOXJPGPFMWYVDP-VIFPVBQESA-N 2 0 266.345 -1.325 20 0 CAADRP [NH3+]C[C@@H](NC(=O)[C@@H]1CC(=O)N(C2C[NH2+]C2)C1)C1CC1 ZINC001340487190 885803750 /nfs/dbraw/zinc/80/37/50/885803750.db2.gz XKNRAXOJZOMMKO-MWLCHTKSSA-N 2 0 266.345 -1.340 20 0 CAADRP [NH3+]CCN1CCC[C@@H](C(=O)N[C@@H]2COC3(C[NH2+]C3)C2)C1=O ZINC001340617929 885805951 /nfs/dbraw/zinc/80/59/51/885805951.db2.gz ZMZXQMCMELSQKQ-QWRGUYRKSA-N 2 0 296.371 -1.569 20 0 CAADRP [NH3+]C[C@H]1CC(C(=O)N[C@@H]2COC3(C[NH2+]C3)C2)=NO1 ZINC001340615912 885805981 /nfs/dbraw/zinc/80/59/81/885805981.db2.gz QFVHDDDJJCTYNI-JGVFFNPUSA-N 2 0 254.290 -1.663 20 0 CAADRP CN1CC[NH2+]C[C@@H]1C(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC001340689697 885810633 /nfs/dbraw/zinc/81/06/33/885810633.db2.gz CBNIMRPRLGMNGV-NWDGAFQWSA-N 2 0 297.403 -1.654 20 0 CAADRP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)[C@H]([NH3+])CO ZINC001340738292 885811430 /nfs/dbraw/zinc/81/14/30/885811430.db2.gz HTSDDIMUWAKGOM-SECBINFHSA-N 2 0 260.338 -2.216 20 0 CAADRP C[NH2+]C[C@@H](O)CN(C)C(=O)[C@@]1(COC)CC[NH2+]C1 ZINC001340745703 885812359 /nfs/dbraw/zinc/81/23/59/885812359.db2.gz FMJDYWXCPDFLTK-PWSUYJOCSA-N 2 0 259.350 -1.349 20 0 CAADRP CO[C@@H](C[NH3+])CC(=O)N1CCC[C@@H]([NH2+]CCO)C1 ZINC001340731049 885812423 /nfs/dbraw/zinc/81/24/23/885812423.db2.gz XWNPQMSJTJWFPV-GHMZBOCLSA-N 2 0 259.350 -1.077 20 0 CAADRP [NH3+]CCN1CCC[C@H](C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)C1=O ZINC001340752266 885812670 /nfs/dbraw/zinc/81/26/70/885812670.db2.gz WXYKVVYPVPCFAY-DCAQKATOSA-N 2 0 266.345 -1.244 20 0 CAADRP C[C@H]([NH3+])CONC(=O)[C@H]1CC(=O)N(C2C[NH2+]C2)C1 ZINC001340766722 885812936 /nfs/dbraw/zinc/81/29/36/885812936.db2.gz GNRXZJQUBSEJQO-YUMQZZPRSA-N 2 0 256.306 -1.798 20 0 CAADRP C[NH2+]C[C@H](O)CN(C)C(=O)[C@]1(COC)CC[NH2+]C1 ZINC001340745683 885813003 /nfs/dbraw/zinc/81/30/03/885813003.db2.gz FMJDYWXCPDFLTK-CMPLNLGQSA-N 2 0 259.350 -1.349 20 0 CAADRP C[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1CCCN(CC[NH3+])C1=O ZINC001340747825 885813504 /nfs/dbraw/zinc/81/35/04/885813504.db2.gz LWFAPDFNFZSZIB-WDEREUQCSA-N 2 0 286.376 -1.778 20 0 CAADRP O=C([C@H]1C[NH2+]CCO1)N1CCC[C@H]([NH2+]CCO)C1 ZINC001340848056 885815019 /nfs/dbraw/zinc/81/50/19/885815019.db2.gz OJEHCCWELJYLQI-WDEREUQCSA-N 2 0 257.334 -1.452 20 0 CAADRP O=C(C[C@@]1(O)CCC[NH2+]C1)N1CC[NH2+]C[C@H]1CO ZINC001340845052 885815672 /nfs/dbraw/zinc/81/56/72/885815672.db2.gz HDPSREDHJYLQOU-JQWIXIFHSA-N 2 0 257.334 -1.716 20 0 CAADRP COCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]([NH3+])C(C)(C)O)C1 ZINC001340852289 885815418 /nfs/dbraw/zinc/81/54/18/885815418.db2.gz FIPZMEGWEQHCFX-NXEZZACHSA-N 2 0 259.350 -1.079 20 0 CAADRP COCC[N@@H+]1CC[C@H](NC(=O)[C@@H]([NH3+])C(C)(C)O)C1 ZINC001340852290 885816181 /nfs/dbraw/zinc/81/61/81/885816181.db2.gz FIPZMEGWEQHCFX-VHSXEESVSA-N 2 0 259.350 -1.079 20 0 CAADRP O=C([C@@H]1C[NH2+]CCO1)N1CCC[C@@H]([NH2+]CCO)C1 ZINC001340848054 885816106 /nfs/dbraw/zinc/81/61/06/885816106.db2.gz OJEHCCWELJYLQI-MNOVXSKESA-N 2 0 257.334 -1.452 20 0 CAADRP O=C(C[NH2+]CC1CC1)N1NC(=O)C[C@]12CC[NH2+]C2 ZINC001340900973 885819395 /nfs/dbraw/zinc/81/93/95/885819395.db2.gz PSBKQFDPGZOFOT-LBPRGKRZSA-N 2 0 252.318 -1.018 20 0 CAADRP [NH3+]CCCCNC(=O)[C@@H]1CC(=O)N(C2C[NH2+]C2)C1 ZINC001340904685 885819661 /nfs/dbraw/zinc/81/96/61/885819661.db2.gz AJARXMCANPUSIU-SECBINFHSA-N 2 0 254.334 -1.338 20 0 CAADRP O=C(CN1CC[NH2+]CC1)N1NC(=O)C[C@@]12CC[NH2+]C2 ZINC001340899367 885820608 /nfs/dbraw/zinc/82/06/08/885820608.db2.gz CGYRJLGQAVNBLF-GFCCVEGCSA-N 2 0 267.333 -2.113 20 0 CAADRP CN1CC[NH2+]C[C@H]1C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC001340947090 885820740 /nfs/dbraw/zinc/82/07/40/885820740.db2.gz ZWVLWTNGRKOHFU-MNOVXSKESA-N 2 0 256.350 -1.615 20 0 CAADRP [NH3+]C[C@@H](O)CC(=O)NCCCCCN1CC[NH2+]CC1 ZINC001341072499 885822612 /nfs/dbraw/zinc/82/26/12/885822612.db2.gz PCWGONCEUIEBAS-LBPRGKRZSA-N 2 0 272.393 -1.112 20 0 CAADRP COC(=O)CCN1CCN(C(=O)CNCC[NH3+])C[C@@H]1C ZINC001341073037 885823008 /nfs/dbraw/zinc/82/30/08/885823008.db2.gz RGIXGIZHKWDZMV-NSHDSACASA-N 2 0 286.376 -1.370 20 0 CAADRP COC[C@H]([NH3+])C(=O)N[C@H](C)[C@H]1C[N@H+](C)CCN1C ZINC001341940445 885864744 /nfs/dbraw/zinc/86/47/44/885864744.db2.gz IZMYFIINUFWAQU-OUAUKWLOSA-N 2 0 258.366 -1.289 20 0 CAADRP [NH3+][C@@]1(CO)CCCN(C(=O)C[C@H]2C[NH2+]CCO2)C1 ZINC001341116436 885827662 /nfs/dbraw/zinc/82/76/62/885827662.db2.gz PEAILAXWGGOJQU-JQWIXIFHSA-N 2 0 257.334 -1.323 20 0 CAADRP [NH3+]C[C@H]1OCC[C@@H]1C(=O)N1CCNCC[NH2+]CC1 ZINC001341098988 885827674 /nfs/dbraw/zinc/82/76/74/885827674.db2.gz CKRNGXBXHJIQHH-WDEREUQCSA-N 2 0 256.350 -1.628 20 0 CAADRP [NH3+]C[C@H]1OCC[C@H]1C(=O)N1CCNCC[NH2+]CC1 ZINC001341098985 885828385 /nfs/dbraw/zinc/82/83/85/885828385.db2.gz CKRNGXBXHJIQHH-GHMZBOCLSA-N 2 0 256.350 -1.628 20 0 CAADRP C[C@H]1CN2CC[N@@H+]1C[C@H]2C(=O)NCCN1CC[NH2+]CC1 ZINC001341245445 885829906 /nfs/dbraw/zinc/82/99/06/885829906.db2.gz XNMLDOMMZSFJDZ-STQMWFEESA-N 2 0 281.404 -1.604 20 0 CAADRP C[C@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)NCCN1CC[NH2+]CC1 ZINC001341245443 885830423 /nfs/dbraw/zinc/83/04/23/885830423.db2.gz XNMLDOMMZSFJDZ-QWHCGFSZSA-N 2 0 281.404 -1.604 20 0 CAADRP C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)NCCN1CC[NH2+]CC1 ZINC001341245437 885830492 /nfs/dbraw/zinc/83/04/92/885830492.db2.gz XNMLDOMMZSFJDZ-CHWSQXEVSA-N 2 0 281.404 -1.604 20 0 CAADRP O=C([C@@H]1CC(=O)N(C2C[NH2+]C2)C1)N1CCNCC[NH2+]CC1 ZINC001341223351 885830920 /nfs/dbraw/zinc/83/09/20/885830920.db2.gz PWLBWLGJGRGGDV-LLVKDONJSA-N 2 0 295.387 -2.172 20 0 CAADRP CC(C)[C@H]([NH3+])CNC(=O)[C@@H]1CC(=O)N(C2C[NH2+]C2)C1 ZINC001341241488 885832352 /nfs/dbraw/zinc/83/23/52/885832352.db2.gz KIHKRJRNMFUYST-MWLCHTKSSA-N 2 0 268.361 -1.094 20 0 CAADRP CC(C)[C@@H]([NH3+])CNC(=O)[C@H]1CC(=O)N(C2C[NH2+]C2)C1 ZINC001341241490 885832626 /nfs/dbraw/zinc/83/26/26/885832626.db2.gz KIHKRJRNMFUYST-ONGXEEELSA-N 2 0 268.361 -1.094 20 0 CAADRP C[C@H]1CN2CC[N@@H+]1C[C@H]2C(=O)N[C@@H]1C[NH2+]C[C@@H]1O ZINC001341418839 885839346 /nfs/dbraw/zinc/83/93/46/885839346.db2.gz VMIJGOAWEYNKEL-VLEAKVRGSA-N 2 0 254.334 -2.176 20 0 CAADRP C[NH2+]CCOCCNC(=O)C[C@]1(O)CCC[NH2+]C1 ZINC001341459031 885841294 /nfs/dbraw/zinc/84/12/94/885841294.db2.gz VVRUFUIGOVGJTE-GFCCVEGCSA-N 2 0 259.350 -1.157 20 0 CAADRP CC1(C)C[NH2+][C@H]1C(=O)N1NC(=O)C[C@]12CC[NH2+]C2 ZINC001341527012 885845169 /nfs/dbraw/zinc/84/51/69/885845169.db2.gz TXIHNSZSROZXCJ-CABZTGNLSA-N 2 0 252.318 -1.020 20 0 CAADRP CC1(C)C[NH2+][C@H]1C(=O)N1NC(=O)C[C@@]12CC[NH2+]C2 ZINC001341527013 885845731 /nfs/dbraw/zinc/84/57/31/885845731.db2.gz TXIHNSZSROZXCJ-JOYOIKCWSA-N 2 0 252.318 -1.020 20 0 CAADRP CC1(C)C[NH2+][C@@H]1C(=O)N1NC(=O)C[C@]12CC[NH2+]C2 ZINC001341527014 885846642 /nfs/dbraw/zinc/84/66/42/885846642.db2.gz TXIHNSZSROZXCJ-SKDRFNHKSA-N 2 0 252.318 -1.020 20 0 CAADRP [NH3+][C@H](Cc1ccccn1)C(=O)N1CC[NH2+]C[C@@H]1CO ZINC001341580000 885848960 /nfs/dbraw/zinc/84/89/60/885848960.db2.gz MVCNJKZYVLTUKF-VXGBXAGGSA-N 2 0 264.329 -1.256 20 0 CAADRP [NH3+][C@H](Cc1ccccn1)C(=O)N1CC[NH2+]C[C@H]1CO ZINC001341579988 885849730 /nfs/dbraw/zinc/84/97/30/885849730.db2.gz MVCNJKZYVLTUKF-NWDGAFQWSA-N 2 0 264.329 -1.256 20 0 CAADRP CCC[NH2+]CCNC(=O)[C@H]1CC(=O)N(C2C[NH2+]C2)C1 ZINC001341732728 885852821 /nfs/dbraw/zinc/85/28/21/885852821.db2.gz KKSAGSNFXNHNMO-JTQLQIEISA-N 2 0 268.361 -1.078 20 0 CAADRP C[C@H](CNC(=O)[C@@H]1C[NH2+]CCN1C)C[NH+]1CCN(C)CC1 ZINC001341731893 885853060 /nfs/dbraw/zinc/85/30/60/885853060.db2.gz HGZMEIOQTVJMHT-KGLIPLIRSA-N 2 0 297.447 -1.110 20 0 CAADRP [NH3+]CCNCC(=O)N1CCC[C@@H]1CN1CCOCC1 ZINC001341673099 885853875 /nfs/dbraw/zinc/85/38/75/885853875.db2.gz WITZTCFIFOTTHT-GFCCVEGCSA-N 2 0 270.377 -1.142 20 0 CAADRP CN1CCN(C(=O)[C@H]2CCCN(CC[NH3+])C2=O)CC1 ZINC001341732719 885854430 /nfs/dbraw/zinc/85/44/30/885854430.db2.gz KBXBJVJNFMYHQY-NSHDSACASA-N 2 0 268.361 -1.042 20 0 CAADRP COC(=O)C[C@@H](C)N1CCN(C(=O)CNCC[NH3+])CC1 ZINC001341742707 885854616 /nfs/dbraw/zinc/85/46/16/885854616.db2.gz OBVDASNATPVTFY-LLVKDONJSA-N 2 0 286.376 -1.370 20 0 CAADRP C[C@@H](CNC(=O)[C@@H]1C[NH2+]CCN1C)C[NH+]1CCN(C)CC1 ZINC001341731887 885855043 /nfs/dbraw/zinc/85/50/43/885855043.db2.gz HGZMEIOQTVJMHT-KBPBESRZSA-N 2 0 297.447 -1.110 20 0 CAADRP C[NH2+][C@H](C(=O)N1CCNCC[NH2+]CC1)c1cnn(C)c1 ZINC001341855158 885859992 /nfs/dbraw/zinc/85/99/92/885859992.db2.gz WGIBGZKYVFKSNB-LBPRGKRZSA-N 2 0 280.376 -1.298 20 0 CAADRP O=C(C[NH2+]C[C@@H]1CCCO1)N1CCNCC[NH2+]CC1 ZINC001341852074 885860108 /nfs/dbraw/zinc/86/01/08/885860108.db2.gz GPVOKEZPTNESGJ-LBPRGKRZSA-N 2 0 270.377 -1.224 20 0 CAADRP O=C(C[NH2+]C[C@H]1CCCO1)N1CCNCC[NH2+]CC1 ZINC001341852073 885860877 /nfs/dbraw/zinc/86/08/77/885860877.db2.gz GPVOKEZPTNESGJ-GFCCVEGCSA-N 2 0 270.377 -1.224 20 0 CAADRP C[NH2+][C@@H](C(=O)N1CCNCC[NH2+]CC1)c1cnn(C)c1 ZINC001341855156 885860963 /nfs/dbraw/zinc/86/09/63/885860963.db2.gz WGIBGZKYVFKSNB-GFCCVEGCSA-N 2 0 280.376 -1.298 20 0 CAADRP C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC001341847105 885862040 /nfs/dbraw/zinc/86/20/40/885862040.db2.gz KAADGGASQMFALT-GRYCIOLGSA-N 2 0 268.361 -1.521 20 0 CAADRP COC[C@H]([NH3+])C(=O)N[C@H](C)[C@@H]1C[N@H+](C)CCN1C ZINC001341940446 885865239 /nfs/dbraw/zinc/86/52/39/885865239.db2.gz IZMYFIINUFWAQU-VWYCJHECSA-N 2 0 258.366 -1.289 20 0 CAADRP C[C@H](NC(=O)COCC[NH3+])[C@@H]1C[N@H+](C)CCN1C ZINC001342035735 885868073 /nfs/dbraw/zinc/86/80/73/885868073.db2.gz NWZBXGYDJHQZNT-QWRGUYRKSA-N 2 0 258.366 -1.288 20 0 CAADRP C[C@@H](NC(=O)COCC[NH3+])[C@@H]1C[N@H+](C)CCN1C ZINC001342035734 885868454 /nfs/dbraw/zinc/86/84/54/885868454.db2.gz NWZBXGYDJHQZNT-MNOVXSKESA-N 2 0 258.366 -1.288 20 0 CAADRP COC[C@@]1(C(=O)N(C)[C@@H]2[C@H]3C[NH2+]C[C@H]32)C[NH2+]CCO1 ZINC001342122162 885871857 /nfs/dbraw/zinc/87/18/57/885871857.db2.gz WVGYLKNVEJSHPW-MPPDQPJWSA-N 2 0 269.345 -1.332 20 0 CAADRP CC(C)OC[C@H]([NH3+])C(=O)N[C@@H]1COC2(C[NH2+]C2)C1 ZINC001342127240 885871875 /nfs/dbraw/zinc/87/18/75/885871875.db2.gz TZVBCYLBUBYALQ-UWVGGRQHSA-N 2 0 257.334 -1.014 20 0 CAADRP CN(C(=O)[C@@H]1C[NH2+]CCO1)C1(C[NH3+])CCOCC1 ZINC001342095763 885872804 /nfs/dbraw/zinc/87/28/04/885872804.db2.gz LCINGYDOKHSXDL-JTQLQIEISA-N 2 0 257.334 -1.059 20 0 CAADRP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)CNCC[NH3+] ZINC001342129666 885873194 /nfs/dbraw/zinc/87/31/94/885873194.db2.gz JDNARMWBEQBCAB-UHFFFAOYSA-N 2 0 273.381 -1.987 20 0 CAADRP C[NH2+]C[C@@H](O)[C@H](C)C(=O)N1CCOC2(C[NH2+]C2)C1 ZINC001342190933 885877024 /nfs/dbraw/zinc/87/70/24/885877024.db2.gz YBRCKPUQFHTNGU-VHSXEESVSA-N 2 0 257.334 -1.596 20 0 CAADRP COC[C@H]1C[NH2+]CCN1C(=O)C[C@H]1COCC[NH2+]1 ZINC001342293988 885878764 /nfs/dbraw/zinc/87/87/64/885878764.db2.gz GOMYIBAXDPBYHN-WDEREUQCSA-N 2 0 257.334 -1.188 20 0 CAADRP C[C@H]([NH3+])C1(C(=O)N[C@@H]2C[NH2+]C[C@@H]2O)CCOCC1 ZINC001342265592 885879030 /nfs/dbraw/zinc/87/90/30/885879030.db2.gz ORHWWDJGTGARCL-AEJSXWLSSA-N 2 0 257.334 -1.421 20 0 CAADRP C[NH2+]CCOCCN(C)C(=O)[C@]1(C)C[C@@H](O)C[NH2+]1 ZINC001342222664 885879483 /nfs/dbraw/zinc/87/94/83/885879483.db2.gz YIYJRBFVSUKUIG-PWSUYJOCSA-N 2 0 259.350 -1.206 20 0 CAADRP C[NH2+]C[C@H](C)NC(=O)[C@@H]1CC(=O)N(C2C[NH2+]C2)C1 ZINC001342266498 885879881 /nfs/dbraw/zinc/87/98/81/885879881.db2.gz XYEICGZDGSNRDG-DTWKUNHWSA-N 2 0 254.334 -1.469 20 0 CAADRP C[C@]1(NC(=O)[C@@H]2CC(=O)N(C3C[NH2+]C3)C2)CC[NH2+]C1 ZINC001342268882 885880385 /nfs/dbraw/zinc/88/03/85/885880385.db2.gz CPZGPIXCKORPDT-RNCFNFMXSA-N 2 0 266.345 -1.325 20 0 CAADRP C[NH2+]C[C@@H](O)CN(C)C(=O)C1(OC)CC[NH2+]CC1 ZINC001342256495 885880768 /nfs/dbraw/zinc/88/07/68/885880768.db2.gz QLTMRHSFNAGYOB-SNVBAGLBSA-N 2 0 259.350 -1.206 20 0 CAADRP O=C([C@H]1CC(=O)N(C2C[NH2+]C2)C1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC001342271062 885880816 /nfs/dbraw/zinc/88/08/16/885880816.db2.gz DDYFAJBAXOZKBR-GUBZILKMSA-N 2 0 264.329 -1.621 20 0 CAADRP C[C@]1(NC(=O)[C@H]2CC(=O)N(C3C[NH2+]C3)C2)CC[NH2+]C1 ZINC001342268885 885881043 /nfs/dbraw/zinc/88/10/43/885881043.db2.gz CPZGPIXCKORPDT-ZANVPECISA-N 2 0 266.345 -1.325 20 0 CAADRP O=C([C@H]1C[NH2+]CCO1)N1NC(=O)C[C@@]12CC[NH2+]C2 ZINC001342387221 885882390 /nfs/dbraw/zinc/88/23/90/885882390.db2.gz WWVSJKVJJQSYJY-LDYMZIIASA-N 2 0 254.290 -2.030 20 0 CAADRP C[C@H]([NH3+])CN(C)C(=O)[C@H]1CCCN(CC[NH3+])C1=O ZINC001342338669 885883984 /nfs/dbraw/zinc/88/39/84/885883984.db2.gz VMALAVRLOIWQPV-VHSXEESVSA-N 2 0 256.350 -1.011 20 0 CAADRP CN1CC[NH2+]C[C@@H]1C(=O)NCC1([NH3+])CCOCC1 ZINC001342301879 885884000 /nfs/dbraw/zinc/88/40/00/885884000.db2.gz OAIVZUHDOOELTI-SNVBAGLBSA-N 2 0 256.350 -1.486 20 0 CAADRP [NH3+]CCN1CCC[C@H](C(=O)NC[C@H]2COCC[NH2+]2)C1=O ZINC001342312182 885884313 /nfs/dbraw/zinc/88/43/13/885884313.db2.gz FGRFMPHDJZTQHJ-WDEREUQCSA-N 2 0 284.360 -1.712 20 0 CAADRP C[C@@H]1C[NH2+]C[C@H]1NC(=O)[C@@H]1CC(=O)N(C2C[NH2+]C2)C1 ZINC001342416234 885887037 /nfs/dbraw/zinc/88/70/37/885887037.db2.gz ORKVLSCANKUWOY-FXPVBKGRSA-N 2 0 266.345 -1.469 20 0 CAADRP [NH3+]CCN1CCC[C@H](C(=O)N2CC[NH2+]C[C@H]2CO)C1=O ZINC001342438184 885887996 /nfs/dbraw/zinc/88/79/96/885887996.db2.gz GCOISWHMVWGZQV-QWRGUYRKSA-N 2 0 284.360 -2.024 20 0 CAADRP O=C(N[C@@H]1C[NH2+]CC2(CCOCC2)C1)C1(O)C[NH2+]C1 ZINC001342428029 885888080 /nfs/dbraw/zinc/88/80/80/885888080.db2.gz AXGCSHMHSZDOFT-JTQLQIEISA-N 2 0 269.345 -1.404 20 0 CAADRP [NH3+]CCNCC(=O)N[C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC001342508355 885889055 /nfs/dbraw/zinc/88/90/55/885889055.db2.gz BJUCHXGTSSKEAQ-LLVKDONJSA-N 2 0 270.377 -1.190 20 0 CAADRP [NH3+]CCNCC(=O)N[C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC001342508366 885889295 /nfs/dbraw/zinc/88/92/95/885889295.db2.gz BJUCHXGTSSKEAQ-NSHDSACASA-N 2 0 270.377 -1.190 20 0 CAADRP O=C([C@H]1CC[NH2+]1)N1CCNCCN(C(=O)[C@H]2CC[NH2+]2)CC1 ZINC001342564611 885890923 /nfs/dbraw/zinc/89/09/23/885890923.db2.gz NGJFSXAOFDSSTD-VXGBXAGGSA-N 2 0 295.387 -2.029 20 0 CAADRP CN1CC[NH2+]C[C@H]1C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC001342664099 885894132 /nfs/dbraw/zinc/89/41/32/885894132.db2.gz KBDWKFHUGQAMGU-TUAOUCFPSA-N 2 0 252.362 -1.042 20 0 CAADRP O=C(C[C@H]1C[NH2+]CCO1)N1CCNCC[NH2+]CC1 ZINC001342627193 885894411 /nfs/dbraw/zinc/89/44/11/885894411.db2.gz DNNDFGQBLWUAEZ-NSHDSACASA-N 2 0 256.350 -1.614 20 0 CAADRP [NH3+]CCCn1ccc(C(=O)N2CCNCC[NH2+]CC2)n1 ZINC001342704441 885897468 /nfs/dbraw/zinc/89/74/68/885897468.db2.gz GHUQBUWXYTYYJW-UHFFFAOYSA-N 2 0 280.376 -1.133 20 0 CAADRP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)N[C@@H]1C[NH2+]CC12CC2 ZINC001342866751 885900387 /nfs/dbraw/zinc/90/03/87/885900387.db2.gz XUYMYEKSLHYWAI-VHSXEESVSA-N 2 0 266.345 -1.277 20 0 CAADRP OC[C@@H]1C[C@@H](O)C[NH+]1CCCC[N@H+]1C[C@H](O)C[C@H]1CO ZINC001342859671 885901882 /nfs/dbraw/zinc/90/18/82/885901882.db2.gz YPUUQMJCBOCXHT-IGQOVBAYSA-N 2 0 288.388 -1.378 20 0 CAADRP COC[C@@H]1C[NH2+]CCN1C(=O)C1=NO[C@@H](C[NH3+])C1 ZINC001343054881 885903309 /nfs/dbraw/zinc/90/33/09/885903309.db2.gz NJVLBHPIOUKGPB-DTWKUNHWSA-N 2 0 256.306 -1.463 20 0 CAADRP COC[C@H]1C[NH2+]CCN1C(=O)C1=NO[C@@H](C[NH3+])C1 ZINC001343054883 885903833 /nfs/dbraw/zinc/90/38/33/885903833.db2.gz NJVLBHPIOUKGPB-RKDXNWHRSA-N 2 0 256.306 -1.463 20 0 CAADRP COCC[C@H]1C[NH2+]CCN1C(=O)CNC(=O)C[NH3+] ZINC001342996466 885904584 /nfs/dbraw/zinc/90/45/84/885904584.db2.gz YXSSSYSODSXAIL-VIFPVBQESA-N 2 0 258.322 -2.102 20 0 CAADRP [NH3+]C[C@@H]1CCN(C(=O)[C@H]2CC(=O)N(C3C[NH2+]C3)C2)C1 ZINC001343039514 885904877 /nfs/dbraw/zinc/90/48/77/885904877.db2.gz YXFCYOGFDXVXTH-UWVGGRQHSA-N 2 0 266.345 -1.386 20 0 CAADRP COC[C@@H]1C[NH2+]CCN1C(=O)[C@H]1C[NH2+]CCN1C ZINC001343178488 885908627 /nfs/dbraw/zinc/90/86/27/885908627.db2.gz KTPSGNZVSQVXDQ-WDEREUQCSA-N 2 0 256.350 -1.663 20 0 CAADRP C[NH+](C)C1(CNC(=O)C[C@H](O)C[NH3+])CCOCC1 ZINC001343429594 885913941 /nfs/dbraw/zinc/91/39/41/885913941.db2.gz BYFNTALJLGZJFL-JTQLQIEISA-N 2 0 259.350 -1.077 20 0 CAADRP C[C@H](CNC(=O)C[C@@H](O)C[NH3+])CN1CCOCC1 ZINC001343409445 885915237 /nfs/dbraw/zinc/91/52/37/885915237.db2.gz ODPYLINZISRYQS-GHMZBOCLSA-N 2 0 259.350 -1.219 20 0 CAADRP [NH3+]CCN1CCC[C@@H](C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)C1=O ZINC001343491902 885916317 /nfs/dbraw/zinc/91/63/17/885916317.db2.gz XLOKSGXGAMYZHW-GRYCIOLGSA-N 2 0 280.372 -1.139 20 0 CAADRP COCC[NH2+]CCNC(=O)[C@@H]1CCCN(CC[NH3+])C1=O ZINC001343460308 885916882 /nfs/dbraw/zinc/91/68/82/885916882.db2.gz YOYPSPPJFSFIMX-NSHDSACASA-N 2 0 286.376 -1.464 20 0 CAADRP C[C@H](CC[NH3+])NC(=O)[C@H]1CC(=O)N(C2C[NH2+]C2)C1 ZINC001343460092 885918307 /nfs/dbraw/zinc/91/83/07/885918307.db2.gz WBPLTSUKZZKDDA-BDAKNGLRSA-N 2 0 254.334 -1.340 20 0 CAADRP C[C@@H](CC[NH3+])NC(=O)[C@@H]1CC(=O)N(C2C[NH2+]C2)C1 ZINC001343460094 885918401 /nfs/dbraw/zinc/91/84/01/885918401.db2.gz WBPLTSUKZZKDDA-DTWKUNHWSA-N 2 0 254.334 -1.340 20 0 CAADRP C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)CNC(=O)C[NH3+])[C@@H]2C1 ZINC001343592502 885921139 /nfs/dbraw/zinc/92/11/39/885921139.db2.gz MVRSDXAGJSZUPR-AEJSXWLSSA-N 2 0 254.334 -1.482 20 0 CAADRP COC(=O)CC[C@@H]([NH3+])C(=O)N(C)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001343578203 885921554 /nfs/dbraw/zinc/92/15/54/885921554.db2.gz XBZQPPGADHVBLT-LOKLDPHHSA-N 2 0 255.318 -1.057 20 0 CAADRP [NH3+][C@H]1C[C@@H](NC(=O)CCNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC001343711571 885925194 /nfs/dbraw/zinc/92/51/94/885925194.db2.gz NQJYPKTUMGTVFL-KXUCPTDWSA-N 2 0 254.334 -1.149 20 0 CAADRP [NH3+]Cc1cc(C(=O)N2CC[NH2+]C[C@H]2CO)ccn1 ZINC001344517260 885943916 /nfs/dbraw/zinc/94/39/16/885943916.db2.gz JZBRGJGHDVDTDY-NSHDSACASA-N 2 0 250.302 -1.053 20 0 CAADRP CN1CC[NH2+]C[C@@H]1C(=O)N1CCC[C@]([NH3+])(CO)C1 ZINC001344988242 885956757 /nfs/dbraw/zinc/95/67/57/885956757.db2.gz KPTNRKJUDWJQOG-ZYHUDNBSSA-N 2 0 256.350 -1.798 20 0 CAADRP O=C(NC1C[NH2+]C1)C(=O)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC001345198862 885960275 /nfs/dbraw/zinc/96/02/75/885960275.db2.gz VEZAWDNRXVCLNY-NSHDSACASA-N 2 0 266.345 -1.229 20 0 CAADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]CCNC(=O)C2CC2)CC1 ZINC001345607352 885965165 /nfs/dbraw/zinc/96/51/65/885965165.db2.gz WXPUNMKKEBDNLN-ZDUSSCGKSA-N 2 0 284.404 -1.290 20 0 CAADRP [NH3+]C[C@@H]1CN(C(=O)C[C@@H]2C[NH2+]CCO2)CCCO1 ZINC001345897063 885973399 /nfs/dbraw/zinc/97/33/99/885973399.db2.gz SGDPFKCLDYVCNC-GHMZBOCLSA-N 2 0 257.334 -1.059 20 0 CAADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)NCC1([NH3+])CC1 ZINC001345914292 885973849 /nfs/dbraw/zinc/97/38/49/885973849.db2.gz XGFMNQVIIROLPM-JTQLQIEISA-N 2 0 283.376 -2.044 20 0 CAADRP [NH3+][C@H](CC(F)F)C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC001346003689 885977087 /nfs/dbraw/zinc/97/70/87/885977087.db2.gz YMSXWKJKQYNECV-SSDOTTSWSA-N 2 0 264.276 -1.483 20 0 CAADRP [NH3+]CC(=O)NCC(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC001346027997 885981493 /nfs/dbraw/zinc/98/14/93/885981493.db2.gz DFKAGFOYPQHBCT-GUBZILKMSA-N 2 0 254.334 -1.353 20 0 CAADRP [NH3+]CC(=O)NCC(=O)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC001346028404 885981781 /nfs/dbraw/zinc/98/17/81/885981781.db2.gz GXPMVPJHQRBMGT-QWRGUYRKSA-N 2 0 268.361 -1.091 20 0 CAADRP [NH3+]C[C@H]1CN(C(=O)C[C@H]2COCC[NH2+]2)CCCO1 ZINC001346029521 885982057 /nfs/dbraw/zinc/98/20/57/885982057.db2.gz OPWCJMFSESAQRR-QWRGUYRKSA-N 2 0 257.334 -1.059 20 0 CAADRP [NH3+]CC(=O)NCC(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC001346027991 885982153 /nfs/dbraw/zinc/98/21/53/885982153.db2.gz DFKAGFOYPQHBCT-AEJSXWLSSA-N 2 0 254.334 -1.353 20 0 CAADRP O=C(CC[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1)N1CC[NH2+]CC1 ZINC001346018632 885982853 /nfs/dbraw/zinc/98/28/53/885982853.db2.gz XKSNLLWZDINFJU-CQSZACIVSA-N 3 0 295.431 -1.212 20 0 CAADRP [NH3+]C[C@H]1CN(C(=O)C[C@@H]2COCC[NH2+]2)CCCO1 ZINC001346029519 885982904 /nfs/dbraw/zinc/98/29/04/885982904.db2.gz OPWCJMFSESAQRR-MNOVXSKESA-N 2 0 257.334 -1.059 20 0 CAADRP [NH3+]CC(=O)NCC(=O)N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC001346056415 885984483 /nfs/dbraw/zinc/98/44/83/885984483.db2.gz OTNCGUCGWBJLGN-VIFPVBQESA-N 2 0 254.334 -1.148 20 0 CAADRP NC(=O)CN1CCC[C@@H](NC(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)C1 ZINC001346104272 885986112 /nfs/dbraw/zinc/98/61/12/885986112.db2.gz UFJWTEBFABIJDD-DBIOUOCHSA-N 2 0 266.345 -1.197 20 0 CAADRP NC(=O)CN1CCC[C@H](NC(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)C1 ZINC001346104280 885986161 /nfs/dbraw/zinc/98/61/61/885986161.db2.gz UFJWTEBFABIJDD-YTWAJWBKSA-N 2 0 266.345 -1.197 20 0 CAADRP CN1CCN(C(=O)C2=NO[C@H](C[NH3+])C2)[C@H](CO)C1 ZINC001346227533 885992842 /nfs/dbraw/zinc/99/28/42/885992842.db2.gz ALNGJFHUFNIEOY-IUCAKERBSA-N 2 0 256.306 -1.775 20 0 CAADRP CN1CCN(C(=O)C2=NO[C@@H](C[NH3+])C2)[C@H](CO)C1 ZINC001346227532 885993572 /nfs/dbraw/zinc/99/35/72/885993572.db2.gz ALNGJFHUFNIEOY-DTWKUNHWSA-N 2 0 256.306 -1.775 20 0 CAADRP C[C@H](C[NH3+])NC(=O)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC001347074860 886026171 /nfs/dbraw/zinc/02/61/71/886026171.db2.gz YIGVSVDKIPHCKE-PWSUYJOCSA-N 2 0 298.387 -1.181 20 0 CAADRP [NH3+]C[C@H]1CC(C(=O)N2CCCO[C@H](C[NH3+])C2)=NO1 ZINC001347156698 886028908 /nfs/dbraw/zinc/02/89/08/886028908.db2.gz BGKFDINVWJIARV-RKDXNWHRSA-N 2 0 256.306 -1.334 20 0 CAADRP CN(CCOCC[NH3+])C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC001348306145 886067872 /nfs/dbraw/zinc/06/78/72/886067872.db2.gz IPZRWCFJYOWJTH-GFCCVEGCSA-N 2 0 287.408 -1.151 20 0 CAADRP C[NH2+][C@H](C)CCNS(=O)(=O)C[C@@H]1C[NH2+]CCO1 ZINC001348563499 886091582 /nfs/dbraw/zinc/09/15/82/886091582.db2.gz RPYPKCWPOUUZPC-ZJUUUORDSA-N 2 0 265.379 -1.108 20 0 CAADRP CC[S@@](=O)CC[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC001348957673 886110142 /nfs/dbraw/zinc/11/01/42/886110142.db2.gz LGYNPZOZQKDJMA-KPZWWZAWSA-N 2 0 277.434 -1.047 20 0 CAADRP CC[S@](=O)CC[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC001348957682 886110417 /nfs/dbraw/zinc/11/04/17/886110417.db2.gz LGYNPZOZQKDJMA-SGTLLEGYSA-N 2 0 277.434 -1.047 20 0 CAADRP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)NC1CC[NH2+]CC1 ZINC001349138130 886115871 /nfs/dbraw/zinc/11/58/71/886115871.db2.gz NCCSCHUIJRQUTH-JTQLQIEISA-N 2 0 254.334 -1.277 20 0 CAADRP COC(=O)C[C@H]([NH3+])C(=O)N1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC001349155943 886115955 /nfs/dbraw/zinc/11/59/55/886115955.db2.gz MZOOJEUVEDPOPT-XHNCKOQMSA-N 2 0 259.306 -1.549 20 0 CAADRP COCC[NH2+]CC(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC001349273236 886119143 /nfs/dbraw/zinc/11/91/43/886119143.db2.gz WMVZDEOCLJGKKG-NWDGAFQWSA-N 2 0 281.360 -1.091 20 0 CAADRP CN1CCN(C(=O)CNC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001349254473 886119586 /nfs/dbraw/zinc/11/95/86/886119586.db2.gz FJLMLGPVZILEAZ-NSHDSACASA-N 2 0 268.361 -1.172 20 0 CAADRP O=C(C[C@@H]1CC[NH2+]C1)NCC(=O)N1CC[NH2+]CC1 ZINC001349386992 886126302 /nfs/dbraw/zinc/12/63/02/886126302.db2.gz ZTWIHXPHOABUCZ-JTQLQIEISA-N 2 0 254.334 -1.466 20 0 CAADRP NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)CNC(=O)C[NH3+])C1 ZINC001349457712 886128739 /nfs/dbraw/zinc/12/87/39/886128739.db2.gz IAWRQDSSYNMPKD-JTQLQIEISA-N 2 0 299.375 -2.235 20 0 CAADRP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)CNC(=O)C[NH3+])C1 ZINC001349457713 886129026 /nfs/dbraw/zinc/12/90/26/886129026.db2.gz IAWRQDSSYNMPKD-SNVBAGLBSA-N 2 0 299.375 -2.235 20 0 CAADRP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)COCC[NH3+])C1 ZINC001349457682 886129755 /nfs/dbraw/zinc/12/97/55/886129755.db2.gz HMNBBWMITMWOPQ-LLVKDONJSA-N 2 0 286.376 -1.335 20 0 CAADRP [NH3+][C@H]1C[C@H](CNC(=O)CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC001349587066 886139154 /nfs/dbraw/zinc/13/91/54/886139154.db2.gz WKZCEFOOHSZQKI-OPRDCNLKSA-N 2 0 254.334 -1.292 20 0 CAADRP COC[C@]1(C(=O)NC[C@H]2C[C@H]([NH3+])C2)C[NH2+]CCO1 ZINC001349620231 886141601 /nfs/dbraw/zinc/14/16/01/886141601.db2.gz IAQGDNIUTMMGAZ-NHCYSSNCSA-N 2 0 257.334 -1.155 20 0 CAADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC001350006094 886157909 /nfs/dbraw/zinc/15/79/09/886157909.db2.gz UFEYRPCECXUKAY-SRVKXCTJSA-N 2 0 295.387 -2.079 20 0 CAADRP C[NH2+]C[C@@H](C)NC(=O)C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC001350330988 886163821 /nfs/dbraw/zinc/16/38/21/886163821.db2.gz CDDKNUYUEDNXAA-GHMZBOCLSA-N 2 0 285.392 -1.928 20 0 CAADRP C[NH2+]C[C@@H](C)NC(=O)C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC001350330989 886164226 /nfs/dbraw/zinc/16/42/26/886164226.db2.gz CDDKNUYUEDNXAA-MNOVXSKESA-N 2 0 285.392 -1.928 20 0 CAADRP O=C(C[C@H]1CC[NH2+]C1)NCC(=O)N1CC[NH2+]CC1 ZINC001350399850 886170325 /nfs/dbraw/zinc/17/03/25/886170325.db2.gz ZTWIHXPHOABUCZ-SNVBAGLBSA-N 2 0 254.334 -1.466 20 0 CAADRP COCC[NH2+]CC(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC001350405091 886171310 /nfs/dbraw/zinc/17/13/10/886171310.db2.gz JJADCGAJGVBVOQ-UHFFFAOYSA-N 2 0 269.305 -1.507 20 0 CAADRP CCC[NH2+]CCNS(=O)(=O)N1CC[NH2+]CC1 ZINC001350911108 886190317 /nfs/dbraw/zinc/19/03/17/886190317.db2.gz VGIOXQJTLSHOSQ-UHFFFAOYSA-N 2 0 250.368 -1.274 20 0 CAADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC001351552913 886211475 /nfs/dbraw/zinc/21/14/75/886211475.db2.gz RFNNLPOICJVOAY-MNOVXSKESA-N 2 0 283.376 -2.174 20 0 CAADRP CON(C)C(=O)[C@H](C)[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC001351679007 886225052 /nfs/dbraw/zinc/22/50/52/886225052.db2.gz KTCDCZDSXMRTSI-NWDGAFQWSA-N 2 0 288.392 -1.407 20 0 CAADRP C[NH2+]C[C@@H](C)CNS(=O)(=O)C[C@@H]1C[NH2+]CCO1 ZINC001351798617 886226724 /nfs/dbraw/zinc/22/67/24/886226724.db2.gz AMGXJGBPVNIQSY-ZJUUUORDSA-N 2 0 265.379 -1.250 20 0 CAADRP CN(CCOCC[NH3+])S(=O)(=O)N(C)C1CC[NH2+]CC1 ZINC001351798677 886226898 /nfs/dbraw/zinc/22/68/98/886226898.db2.gz CBGXNESMVJKZSJ-UHFFFAOYSA-N 2 0 294.421 -1.178 20 0 CAADRP NC(=O)CN1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC001351801897 886229573 /nfs/dbraw/zinc/22/95/73/886229573.db2.gz UDRYUAZRRXGOQD-YIZRAAEISA-N 2 0 254.290 -1.661 20 0 CAADRP [NH3+]C[C@H]1C[C@H](NS(=O)(=O)C[C@H]2C[NH2+]CCO2)C1 ZINC001352777302 886248326 /nfs/dbraw/zinc/24/83/26/886248326.db2.gz PXBDJIHQUUOWPU-OPRDCNLKSA-N 2 0 263.363 -1.369 20 0 CAADRP O[C@@H]1CC[NH+](C/C=C\C[N@H+]2CC[C@@H](O)[C@@H](O)C2)C[C@@H]1O ZINC001352925484 886253548 /nfs/dbraw/zinc/25/35/48/886253548.db2.gz MRDIWEDKHWXNEK-YQQXMBKZSA-N 2 0 286.372 -1.602 20 0 CAADRP O=C(NCC[NH2+]C1CC1)[C@]12C[NH2+]C[C@H]1CS(=O)(=O)C2 ZINC001352987626 886254448 /nfs/dbraw/zinc/25/44/48/886254448.db2.gz JEWQAXJWQCGWKG-CABZTGNLSA-N 2 0 287.385 -1.511 20 0 CAADRP C[NH2+]C[C@@H](C)CNC(=O)[C@H]1CC(=O)N(C2C[NH2+]C2)C1 ZINC001353003745 886255015 /nfs/dbraw/zinc/25/50/15/886255015.db2.gz GNYYIYATOSQWME-ZJUUUORDSA-N 2 0 268.361 -1.222 20 0 CAADRP C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC001353005276 886255075 /nfs/dbraw/zinc/25/50/75/886255075.db2.gz QRPLKERWUSLSCR-AGIUHOORSA-N 2 0 281.404 -1.524 20 0 CAADRP C[C@H]([NH3+])CCNC(=O)C(=O)NCCOCC[NH+](C)C ZINC001353055981 886258748 /nfs/dbraw/zinc/25/87/48/886258748.db2.gz QDFXGIZJIKFQEB-JTQLQIEISA-N 2 0 274.365 -1.466 20 0 CAADRP CO[C@@H](C[NH3+])C(=O)N[C@H](C)CN1CC[NH+](C)CC1 ZINC001353065183 886258770 /nfs/dbraw/zinc/25/87/70/886258770.db2.gz ZREVQMGHTZEIEL-MNOVXSKESA-N 2 0 258.366 -1.288 20 0 CAADRP CO[C@@H](C[NH3+])C(=O)N[C@@H](C)CN1CC[NH+](C)CC1 ZINC001353065193 886260302 /nfs/dbraw/zinc/26/03/02/886260302.db2.gz ZREVQMGHTZEIEL-QWRGUYRKSA-N 2 0 258.366 -1.288 20 0 CAADRP C[NH+]1CCN(C[C@H](O)C[NH2+]CCN2CCOCC2)CC1 ZINC001353265723 886270339 /nfs/dbraw/zinc/27/03/39/886270339.db2.gz AUYAGLWDJLICDI-CQSZACIVSA-N 2 0 286.420 -1.484 20 0 CAADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC001353263087 886273465 /nfs/dbraw/zinc/27/34/65/886273465.db2.gz NWSCEEDLAODKRK-WOPDTQHZSA-N 2 0 297.403 -1.704 20 0 CAADRP C[C@@H](CNC(=O)[C@@H]1CC(=O)N(C2C[NH2+]C2)C1)[NH+](C)C ZINC001353508453 886278314 /nfs/dbraw/zinc/27/83/14/886278314.db2.gz KEXOCNRBGWYNSX-VHSXEESVSA-N 2 0 268.361 -1.127 20 0 CAADRP COCC[N@H+](C)CCNC(=O)[C@]1(C)C[C@@H](O)C[NH2+]1 ZINC001353526856 886278752 /nfs/dbraw/zinc/27/87/52/886278752.db2.gz PPWSLUIDXGLMMQ-PWSUYJOCSA-N 2 0 259.350 -1.206 20 0 CAADRP COCC[N@H+](C)CCNC(=O)[C@@]1(C)C[C@@H](O)C[NH2+]1 ZINC001353526858 886279064 /nfs/dbraw/zinc/27/90/64/886279064.db2.gz PPWSLUIDXGLMMQ-ZYHUDNBSSA-N 2 0 259.350 -1.206 20 0 CAADRP CN(C(=O)[C@H]1CC(=O)N(C2C[NH2+]C2)C1)C1CC([NH3+])C1 ZINC001353654669 886282914 /nfs/dbraw/zinc/28/29/14/886282914.db2.gz KBASEKAAPSHAST-IDKOKCKLSA-N 2 0 266.345 -1.245 20 0 CAADRP [NH3+]CCN1CCC[C@@H](C(=O)NCC2C[NH2+]C2)C1=O ZINC001353602858 886283287 /nfs/dbraw/zinc/28/32/87/886283287.db2.gz VQDUUFHXPIADEE-JTQLQIEISA-N 2 0 254.334 -1.481 20 0 CAADRP C[NH+](C)C1CCN(CCNC(=O)CNCC[NH3+])CC1 ZINC001353570165 886283526 /nfs/dbraw/zinc/28/35/26/886283526.db2.gz JBMGBEAKMFRPPF-UHFFFAOYSA-N 2 0 271.409 -1.323 20 0 CAADRP C[C@@H](C[NH3+])CNC(=O)[C@H]1CC(=O)N(C2C[NH2+]C2)C1 ZINC001353590859 886284738 /nfs/dbraw/zinc/28/47/38/886284738.db2.gz ABCCZMUOXFYLOO-IUCAKERBSA-N 2 0 254.334 -1.482 20 0 CAADRP CN(Cc1cnnn1[C@@H]1CCC[NH2+]C1)C[C@H](O)C[NH3+] ZINC001353943127 886294674 /nfs/dbraw/zinc/29/46/74/886294674.db2.gz LSRHIWRZROERGO-ZYHUDNBSSA-N 2 0 268.365 -1.046 20 0 CAADRP C[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1[C@H](C[NH3+])C1(F)F ZINC001354463017 886315337 /nfs/dbraw/zinc/31/53/37/886315337.db2.gz VRRYLWZSPKZXRE-CSMHCCOUSA-N 2 0 251.277 -1.135 20 0 CAADRP COCC1(C(=O)NCC2(O)C[NH2+]C2)CC[NH2+]CC1 ZINC001354222349 886307532 /nfs/dbraw/zinc/30/75/32/886307532.db2.gz FRERZNUDUSQGMD-UHFFFAOYSA-N 2 0 257.334 -1.547 20 0 CAADRP O=C(N[C@H]1C[NH2+]C[C@H]1O)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC001354344273 886310747 /nfs/dbraw/zinc/31/07/47/886310747.db2.gz VQXIUDOYQNNTMY-OOZYFLPDSA-N 2 0 267.251 -1.023 20 0 CAADRP C[NH2+]C[C@@H](O)CN(C)C(=O)C[C@@]1(O)CCC[NH2+]C1 ZINC001354463050 886314019 /nfs/dbraw/zinc/31/40/19/886314019.db2.gz WGBFGGJZLXJFTH-PWSUYJOCSA-N 2 0 259.350 -1.470 20 0 CAADRP CO[C@@H](C[NH3+])CC(=O)NCCN1CCC([NH3+])CC1 ZINC001354771397 886325749 /nfs/dbraw/zinc/32/57/49/886325749.db2.gz VXIBQZOHTIYJGA-LLVKDONJSA-N 2 0 258.366 -1.111 20 0 CAADRP [NH3+]C1CCN(CCNC(=O)CN2CC[NH2+]CC2)CC1 ZINC001354770897 886327056 /nfs/dbraw/zinc/32/70/56/886327056.db2.gz JPHWAEDHSFPIAO-UHFFFAOYSA-N 2 0 269.393 -1.569 20 0 CAADRP CO[C@H](C[NH3+])CC(=O)NCCN1CCC([NH3+])CC1 ZINC001354771398 886327386 /nfs/dbraw/zinc/32/73/86/886327386.db2.gz VXIBQZOHTIYJGA-NSHDSACASA-N 2 0 258.366 -1.111 20 0 CAADRP CN1CCN(C(=O)[C@@H]2CCCN(CC[NH3+])C2=O)[C@H](CO)C1 ZINC001356251616 886358748 /nfs/dbraw/zinc/35/87/48/886358748.db2.gz BXHBOVFLIKXHRI-NWDGAFQWSA-N 2 0 298.387 -1.681 20 0 CAADRP CN1CCN(C(=O)[C@@H]2CCCN(CC[NH3+])C2=O)[C@@H](CO)C1 ZINC001356251620 886360916 /nfs/dbraw/zinc/36/09/16/886360916.db2.gz BXHBOVFLIKXHRI-VXGBXAGGSA-N 2 0 298.387 -1.681 20 0 CAADRP C[NH+]1CCN(CC[NH2+]C[C@@H](O)C[C@@]2(O)CCOC2)CC1 ZINC001356543991 886369147 /nfs/dbraw/zinc/36/91/47/886369147.db2.gz CBWBKGHXOJZHHC-KBPBESRZSA-N 2 0 287.404 -1.274 20 0 CAADRP [NH3+]C1CCN(C(=O)[C@@H]2CC(=O)N(C3C[NH2+]C3)C2)CC1 ZINC001356608784 886369791 /nfs/dbraw/zinc/36/97/91/886369791.db2.gz SRRORDIKUPQURD-SECBINFHSA-N 2 0 266.345 -1.244 20 0 CAADRP [NH3+]C1CCN(C(=O)[C@H]2CC(=O)N(C3C[NH2+]C3)C2)CC1 ZINC001356608785 886372014 /nfs/dbraw/zinc/37/20/14/886372014.db2.gz SRRORDIKUPQURD-VIFPVBQESA-N 2 0 266.345 -1.244 20 0 CAADRP CN(C)C(=O)NCC[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC001356597980 886372225 /nfs/dbraw/zinc/37/22/25/886372225.db2.gz WUARZZIAEJKQST-GFCCVEGCSA-N 2 0 287.408 -1.545 20 0 CAADRP [NH3+]CC(=O)NCC(=O)NCC[C@@H]1CSCC[NH2+]1 ZINC001357658853 886412211 /nfs/dbraw/zinc/41/22/11/886412211.db2.gz CMGICZNBKMCFKW-MRVPVSSYSA-N 2 0 260.363 -1.727 20 0 CAADRP CCN(OC)C(=O)C[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC001357242533 886395270 /nfs/dbraw/zinc/39/52/70/886395270.db2.gz QCLNRPFNYURXDK-GFCCVEGCSA-N 2 0 288.392 -1.406 20 0 CAADRP CN(C)C(=O)OCC[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC001357242373 886397022 /nfs/dbraw/zinc/39/70/22/886397022.db2.gz MGZUSQDSIKQOEG-GFCCVEGCSA-N 2 0 288.392 -1.118 20 0 CAADRP CCN(OC)C(=O)C[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC001357242534 886397253 /nfs/dbraw/zinc/39/72/53/886397253.db2.gz QCLNRPFNYURXDK-LBPRGKRZSA-N 2 0 288.392 -1.406 20 0 CAADRP C[NH+]1CCN(CCNC(=O)[C@@H]([NH3+])C(C)(C)O)CC1 ZINC001357430834 886405561 /nfs/dbraw/zinc/40/55/61/886405561.db2.gz LMKZLEJROVIWOV-SNVBAGLBSA-N 2 0 258.366 -1.552 20 0 CAADRP [NH3+][C@H]1CCN(C(=O)[C@@H]2CC(=O)N(C3C[NH2+]C3)C2)C1 ZINC001357443666 886408507 /nfs/dbraw/zinc/40/85/07/886408507.db2.gz LKYNTMZFJOMHRK-BDAKNGLRSA-N 2 0 252.318 -1.634 20 0 CAADRP [NH3+][C@H]1CCN(C(=O)[C@H]2CC(=O)N(C3C[NH2+]C3)C2)C1 ZINC001357443668 886409797 /nfs/dbraw/zinc/40/97/97/886409797.db2.gz LKYNTMZFJOMHRK-IUCAKERBSA-N 2 0 252.318 -1.634 20 0 CAADRP O=C(NC[C@@H]1C[NH2+]CCCO1)N1CCNCC[NH2+]CC1 ZINC001357514916 886410125 /nfs/dbraw/zinc/41/01/25/886410125.db2.gz KMDGSJVAFXZXSL-LBPRGKRZSA-N 2 0 285.392 -1.431 20 0 CAADRP C[NH2+]CCN(C)C(=O)[C@H]1CC(=O)N(C2C[NH2+]C2)C1 ZINC001357444647 886410394 /nfs/dbraw/zinc/41/03/94/886410394.db2.gz PYXIQJYLVXQOPT-VIFPVBQESA-N 2 0 254.334 -1.516 20 0 CAADRP [NH3+]CC(=O)NCC(=O)NCC[C@H]1CSCC[NH2+]1 ZINC001357658868 886412724 /nfs/dbraw/zinc/41/27/24/886412724.db2.gz CMGICZNBKMCFKW-QMMMGPOBSA-N 2 0 260.363 -1.727 20 0 CAADRP C[C@@H]1Cn2nc(C(=O)NCC3(O)C[NH2+]C3)cc2CN1 ZINC001357820802 886414871 /nfs/dbraw/zinc/41/48/71/886414871.db2.gz IHVFIBXAPJBCMV-MRVPVSSYSA-N 2 0 265.317 -1.561 20 0 CAADRP C[C@H]([NH3+])C1(C(=O)NCC2(O)C[NH2+]C2)CCOCC1 ZINC001357821179 886416228 /nfs/dbraw/zinc/41/62/28/886416228.db2.gz TXJHHLCYENKFAS-VIFPVBQESA-N 2 0 257.334 -1.419 20 0 CAADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@H]1CC(=O)N(C2C[NH2+]C2)C1 ZINC001357958458 886417545 /nfs/dbraw/zinc/41/75/45/886417545.db2.gz WMCNFMVXOGRDHS-ATZCPNFKSA-N 2 0 266.345 -1.327 20 0 CAADRP O=C([C@H]1[C@@H]2C[NH2+]C[C@@H]21)N1NC(=O)C[C@]12CC[NH2+]C2 ZINC001357981125 886418839 /nfs/dbraw/zinc/41/88/39/886418839.db2.gz NJLUADDAQKUQJE-PUJIEXKFSA-N 2 0 250.302 -1.553 20 0 CAADRP C[C@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)NCCN1CCC([NH3+])CC1 ZINC001358112348 886420492 /nfs/dbraw/zinc/42/04/92/886420492.db2.gz YQNPABBJTSGWAP-GXTWGEPZSA-N 2 0 295.431 -1.086 20 0 CAADRP [NH3+]CC(=O)NCC(=O)NCCCCCN1CC[NH2+]CC1 ZINC001358214344 886422088 /nfs/dbraw/zinc/42/20/88/886422088.db2.gz SLYBWJYQWLGIRS-UHFFFAOYSA-N 2 0 285.392 -1.747 20 0 CAADRP CO[C@H]1C[NH2+][C@](C)(C(=O)N2CCNCC[NH2+]CC2)C1 ZINC001358240108 886423848 /nfs/dbraw/zinc/42/38/48/886423848.db2.gz QNWXREORJBXYPD-YPMHNXCESA-N 2 0 270.377 -1.225 20 0 CAADRP CO[C@@H]1C[NH2+][C@@](C)(C(=O)N2CCNCC[NH2+]CC2)C1 ZINC001358240106 886424607 /nfs/dbraw/zinc/42/46/07/886424607.db2.gz QNWXREORJBXYPD-WCQYABFASA-N 2 0 270.377 -1.225 20 0 CAADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)N2CCNCC[NH2+]CC2)C1 ZINC001358240104 886425148 /nfs/dbraw/zinc/42/51/48/886425148.db2.gz QNWXREORJBXYPD-AAEUAGOBSA-N 2 0 270.377 -1.225 20 0 CAADRP O=C(CNC(=O)[C@H]1CCC[NH2+]1)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC001358467029 886426636 /nfs/dbraw/zinc/42/66/36/886426636.db2.gz JTICYTSJZPRASU-LMLFDSFASA-N 2 0 266.345 -1.136 20 0 CAADRP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC001358458601 886427329 /nfs/dbraw/zinc/42/73/29/886427329.db2.gz JTICYTSJZPRASU-ZRUFSTJUSA-N 2 0 266.345 -1.136 20 0 CAADRP C[NH+](C)C[C@@H](CO)NC(=O)C[N@H+](C)[C@@H]1CCC[C@H]1O ZINC001362838342 886725919 /nfs/dbraw/zinc/72/59/19/886725919.db2.gz HBEYNAPIWIULPQ-QJPTWQEYSA-N 2 0 273.377 -1.130 20 0 CAADRP CN(CCC[NH+](C)C)CCNC(=O)Cn1nnc(N)n1 ZINC001363915754 887004789 /nfs/dbraw/zinc/00/47/89/887004789.db2.gz NGZXNBDWJINMQB-UHFFFAOYSA-N 2 0 284.368 -1.745 20 0 CAADRP CN1CCN(S(=O)(=O)N2CC(C[NH+](C)C)C2)CC1 ZINC001363977790 887012664 /nfs/dbraw/zinc/01/26/64/887012664.db2.gz AITCTMHQHGPTPY-UHFFFAOYSA-N 2 0 276.406 -1.028 20 0 CAADRP C[NH+]1CCC(NC(=O)C[NH2+]C2(C(N)=O)CCOCC2)CC1 ZINC001364449795 887086381 /nfs/dbraw/zinc/08/63/81/887086381.db2.gz PKKFTXOFTDTIDV-UHFFFAOYSA-N 2 0 298.387 -1.179 20 0 CAADRP CNC(=O)NC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001366156165 887276722 /nfs/dbraw/zinc/27/67/22/887276722.db2.gz PWWHCCSBYCSZPM-AOOOYVTPSA-N 2 0 299.375 -1.370 20 0 CAADRP CNC(=O)NC(=O)C[NH2+][C@@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001366314399 887290097 /nfs/dbraw/zinc/29/00/97/887290097.db2.gz YNSNQLZQMHBVRK-VHSXEESVSA-N 2 0 299.375 -1.370 20 0 CAADRP CNC(=O)C[NH2+]C[C@H](O)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001367576455 887393703 /nfs/dbraw/zinc/39/37/03/887393703.db2.gz HJCVEJWUQIGUMJ-VHSXEESVSA-N 2 0 272.349 -2.107 20 0 CAADRP CNC(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001367576446 887394584 /nfs/dbraw/zinc/39/45/84/887394584.db2.gz HJCVEJWUQIGUMJ-NXEZZACHSA-N 2 0 272.349 -2.107 20 0 CAADRP Cn1ccc(C[NH2+]C[C@H](O)CNC(=O)CC[NH+](C)C)n1 ZINC001367601279 887405395 /nfs/dbraw/zinc/40/53/95/887405395.db2.gz MHQSZZIFIWZGEX-LBPRGKRZSA-N 2 0 283.376 -1.062 20 0 CAADRP NC(=O)C[NH2+]C[C@H](O)CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001367595105 887406143 /nfs/dbraw/zinc/40/61/43/887406143.db2.gz UIQKXTUQVXUWCX-NSHDSACASA-N 2 0 298.387 -1.586 20 0 CAADRP NC(=O)C[NH2+]C[C@@H](O)CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001367595103 887406534 /nfs/dbraw/zinc/40/65/34/887406534.db2.gz UIQKXTUQVXUWCX-LLVKDONJSA-N 2 0 298.387 -1.586 20 0 CAADRP CNC(=O)C[NH2+]C[C@@H](O)CNC(=O)C[N@H+](C)C1CCC1 ZINC001367595474 887407440 /nfs/dbraw/zinc/40/74/40/887407440.db2.gz RVEDEHLHDPMLSO-LLVKDONJSA-N 2 0 286.376 -1.717 20 0 CAADRP C[NH+](C)CCC(=O)N[C@H](C[NH2+]CC(=O)NC(N)=O)C1CC1 ZINC001367915079 887438747 /nfs/dbraw/zinc/43/87/47/887438747.db2.gz YKYBBDATWAJSGI-SNVBAGLBSA-N 2 0 299.375 -1.383 20 0 CAADRP C[N@@H+]1CC[C@H](C(=O)NC[C@]2(O)CC[NH+](CCCO)C2)C1 ZINC001368291600 887469777 /nfs/dbraw/zinc/46/97/77/887469777.db2.gz WYIMGJNSSIRVRS-GXTWGEPZSA-N 2 0 285.388 -1.127 20 0 CAADRP C[NH+]1CCC(C(=O)N2CCO[C@H](C[NH2+]CC(N)=O)C2)CC1 ZINC001368503294 887490573 /nfs/dbraw/zinc/49/05/73/887490573.db2.gz GCYZLMKCCCQDOR-GFCCVEGCSA-N 2 0 298.387 -1.370 20 0 CAADRP CC[C@H](C(=O)N1CCO[C@@H](C[NH2+]CC(N)=O)C1)[NH+](C)C ZINC001368518316 887490987 /nfs/dbraw/zinc/49/09/87/887490987.db2.gz SOEJHPRQFKBRLO-WDEREUQCSA-N 2 0 286.376 -1.371 20 0 CAADRP CC[C@H](C(=O)N1CCO[C@H](C[NH2+]CC(N)=O)C1)[NH+](C)C ZINC001368518312 887491738 /nfs/dbraw/zinc/49/17/38/887491738.db2.gz SOEJHPRQFKBRLO-GHMZBOCLSA-N 2 0 286.376 -1.371 20 0 CAADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCC(O)(C[NH2+]CC(N)=O)CC1 ZINC001368679046 887497012 /nfs/dbraw/zinc/49/70/12/887497012.db2.gz OHNYDXGEZBATPR-LLVKDONJSA-N 2 0 298.387 -1.491 20 0 CAADRP C[C@H]([NH2+][C@H](CO)CNC(=O)C1([NH+](C)C)CCC1)C(N)=O ZINC001369322614 887538757 /nfs/dbraw/zinc/53/87/57/887538757.db2.gz IUHUONUWBUZJDG-UWVGGRQHSA-N 2 0 286.376 -1.589 20 0 CAADRP C[C@@H]([NH2+][C@@H](CO)CNC(=O)C1([NH+](C)C)CCC1)C(N)=O ZINC001369322610 887538883 /nfs/dbraw/zinc/53/88/83/887538883.db2.gz IUHUONUWBUZJDG-NXEZZACHSA-N 2 0 286.376 -1.589 20 0 CAADRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](CO)[NH2+]CCn1cncn1 ZINC001369349738 887550752 /nfs/dbraw/zinc/55/07/52/887550752.db2.gz FNZSMTPKUPRXEO-VXGBXAGGSA-N 2 0 296.375 -1.561 20 0 CAADRP C[NH+]1CCC(C(=O)NC[C@H](CO)[NH2+]CC(N)=O)CC1 ZINC001369350567 887554871 /nfs/dbraw/zinc/55/48/71/887554871.db2.gz RZROQZOSTLWTHQ-SNVBAGLBSA-N 2 0 272.349 -2.120 20 0 CAADRP CC(C)[N@H+](C)CC(=O)NC[C@@H](CO)[NH2+][C@@H](C)C(N)=O ZINC001369371435 887560934 /nfs/dbraw/zinc/56/09/34/887560934.db2.gz GUIDXSBZKWYDPZ-UWVGGRQHSA-N 2 0 274.365 -1.733 20 0 CAADRP CC(C)[N@H+](C)CC(=O)NC[C@H](CO)[NH2+][C@@H](C)C(N)=O ZINC001369371441 887562243 /nfs/dbraw/zinc/56/22/43/887562243.db2.gz GUIDXSBZKWYDPZ-VHSXEESVSA-N 2 0 274.365 -1.733 20 0 CAADRP Cn1cc(C[NH2+][C@H](CO)CNC(=O)[C@H]2CC[N@H+](C)C2)cn1 ZINC001369388901 887564938 /nfs/dbraw/zinc/56/49/38/887564938.db2.gz WXLAAHCMPXSATF-STQMWFEESA-N 2 0 295.387 -1.062 20 0 CAADRP Cn1cc(C[NH2+][C@@H](CO)CNC(=O)[C@H]2CC[N@H+](C)C2)cn1 ZINC001369388899 887566106 /nfs/dbraw/zinc/56/61/06/887566106.db2.gz WXLAAHCMPXSATF-QWHCGFSZSA-N 2 0 295.387 -1.062 20 0 CAADRP C[C@@H](C[NH+]1CCOCC1)C(=O)NC[C@H](CO)[NH2+]CCF ZINC001369390253 887566547 /nfs/dbraw/zinc/56/65/47/887566547.db2.gz ZZGLRBFEDNXCLR-NWDGAFQWSA-N 2 0 291.367 -1.009 20 0 CAADRP CN(C[C@H](O)C[NH2+]CC(N)=O)C(=O)C12CCC[NH+]1CCC2 ZINC001369470366 887573009 /nfs/dbraw/zinc/57/30/09/887573009.db2.gz FNQPVZKRYRANTO-LLVKDONJSA-N 2 0 298.387 -1.491 20 0 CAADRP C[C@@H](O)C[NH2+]C[C@H](O)CN(C)C(=O)C[NH+]1CCCC1 ZINC001369486379 887576892 /nfs/dbraw/zinc/57/68/92/887576892.db2.gz SIRUYMOIKXFPOT-NEPJUHHUSA-N 2 0 273.377 -1.128 20 0 CAADRP C[C@@H]([NH2+]C[C@H](O)CN(C)C(=O)C12CC[NH+](CC1)C2)C(N)=O ZINC001369482930 887577434 /nfs/dbraw/zinc/57/74/34/887577434.db2.gz KNZIEBKULRAKEZ-MNOVXSKESA-N 2 0 298.387 -1.635 20 0 CAADRP C[C@H](O)C[NH2+]C[C@@H](O)CN(C)C(=O)C[NH+]1CCCC1 ZINC001369486382 887578490 /nfs/dbraw/zinc/57/84/90/887578490.db2.gz SIRUYMOIKXFPOT-NWDGAFQWSA-N 2 0 273.377 -1.128 20 0 CAADRP O=C(NCCN1CC[NH+](CCO)CC1)C12CC[NH+](CC1)C2 ZINC001369931257 887596337 /nfs/dbraw/zinc/59/63/37/887596337.db2.gz FEXPUKUWUTXQBG-UHFFFAOYSA-N 2 0 296.415 -1.192 20 0 CAADRP C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001370628874 887614771 /nfs/dbraw/zinc/61/47/71/887614771.db2.gz TZIDTJBJGVIYQV-AEJSXWLSSA-N 2 0 297.359 -1.488 20 0 CAADRP C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]CC(=O)NC(N)=O ZINC001371186267 887652509 /nfs/dbraw/zinc/65/25/09/887652509.db2.gz JVGSVKRHZMKRCO-OPRDCNLKSA-N 2 0 299.375 -1.384 20 0 CAADRP CC[C@@H](CNC(=O)CC[NH+](C)C)[NH2+]CC(=O)NC(N)=O ZINC001373790035 887766989 /nfs/dbraw/zinc/76/69/89/887766989.db2.gz JISOFNGQQRNBFW-VIFPVBQESA-N 2 0 287.364 -1.383 20 0 CAADRP CC[C@H](CNC(=O)CC[NH+](C)C)[NH2+]CC(=O)NC(N)=O ZINC001373790032 887767412 /nfs/dbraw/zinc/76/74/12/887767412.db2.gz JISOFNGQQRNBFW-SECBINFHSA-N 2 0 287.364 -1.383 20 0 CAADRP C[C@@H](C[NH2+]CC(=O)NC(N)=O)N(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001374323461 887784197 /nfs/dbraw/zinc/78/41/97/887784197.db2.gz BREGLWZDMVQJBL-UWVGGRQHSA-N 2 0 299.375 -1.431 20 0 CAADRP CN(C)C(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001374631524 887817146 /nfs/dbraw/zinc/81/71/46/887817146.db2.gz CQOARBDSFVBULM-GHMZBOCLSA-N 2 0 286.376 -1.765 20 0 CAADRP C[NH+](C)CCC(=O)NC[C@H](O)C[NH2+]CC(=O)NC(N)=O ZINC001374641690 887819556 /nfs/dbraw/zinc/81/95/56/887819556.db2.gz KOUOLXZDRJPSGA-MRVPVSSYSA-N 2 0 289.336 -2.800 20 0 CAADRP COC[C@@H](O)C[NH2+]C[C@H](O)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001374632272 887819954 /nfs/dbraw/zinc/81/99/54/887819954.db2.gz IXLVTTQAFGWNLJ-SDDRHHMPSA-N 2 0 289.376 -1.845 20 0 CAADRP CNC(=O)C[NH2+]C[C@H](O)CNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001374650596 887823523 /nfs/dbraw/zinc/82/35/23/887823523.db2.gz FIDJMJJOWJAQFG-MNOVXSKESA-N 2 0 286.376 -1.859 20 0 CAADRP CN(C)C(=O)C[NH2+]C[C@@H](O)CNC(=O)C[NH+]1CCCC1 ZINC001374686330 887832281 /nfs/dbraw/zinc/83/22/81/887832281.db2.gz UJYSVHKGICLRJX-LLVKDONJSA-N 2 0 286.376 -1.763 20 0 CAADRP C[C@H](C[NH2+]CC(=O)NC(N)=O)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001374738452 887839278 /nfs/dbraw/zinc/83/92/78/887839278.db2.gz QLUXDXXYSKWPHO-BDAKNGLRSA-N 2 0 285.348 -1.630 20 0 CAADRP C[C@@H](C[NH2+]CC(=O)NC(N)=O)NC(=O)C[N@H+](C)C1CCC1 ZINC001374900529 887851342 /nfs/dbraw/zinc/85/13/42/887851342.db2.gz YAVOHTAZLKGNCI-VIFPVBQESA-N 2 0 299.375 -1.240 20 0 CAADRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@]1(O)CC[NH+](CCO)C1 ZINC001376005733 887898727 /nfs/dbraw/zinc/89/87/27/887898727.db2.gz NUGWXRLRWCFOPF-YPMHNXCESA-N 2 0 271.361 -1.374 20 0 CAADRP C[NH+](C)CCC(=O)NC[C@H]([NH2+]CC(=O)NC(N)=O)C1CC1 ZINC001376245189 887918669 /nfs/dbraw/zinc/91/86/69/887918669.db2.gz RPLRKVIRRSAJDG-JTQLQIEISA-N 2 0 299.375 -1.383 20 0 CAADRP CN(C)C(=O)C[NH2+][C@H]1CCN(C(=O)[C@H]2CN(C)CCO2)C1 ZINC001376321395 887922529 /nfs/dbraw/zinc/92/25/29/887922529.db2.gz RWTDPGICBJXXJW-NWDGAFQWSA-N 2 0 298.387 -1.404 20 0 CAADRP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@H]1C[C@H]([NH2+]CC(N)=O)C1 ZINC001376420059 887925345 /nfs/dbraw/zinc/92/53/45/887925345.db2.gz XWMHMLQASIQARW-IJLUTSLNSA-N 2 0 298.387 -1.323 20 0 CAADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCO[C@@H](C[NH2+]CC(N)=O)C1 ZINC001376847172 887963326 /nfs/dbraw/zinc/96/33/26/887963326.db2.gz BPCMWNSYAGVHCV-WDEREUQCSA-N 2 0 284.360 -1.617 20 0 CAADRP C[NH+](C)CCC(=O)N1CCO[C@H](C[NH2+][C@@H]2CCNC2=O)C1 ZINC001376843420 887963394 /nfs/dbraw/zinc/96/33/94/887963394.db2.gz MPGQCFQHYSFQOS-VXGBXAGGSA-N 2 0 298.387 -1.356 20 0 CAADRP C[C@H](C[NH+]1CCOCC1)C(=O)NC[C@H](C)[NH2+]CC(N)=O ZINC001376861340 887964106 /nfs/dbraw/zinc/96/41/06/887964106.db2.gz CVKJRAFTSHZUIB-MNOVXSKESA-N 2 0 286.376 -1.466 20 0 CAADRP C[C@@H](CNC(=O)[C@@H](C)C[NH+]1CCOCC1)[NH2+]CC(N)=O ZINC001376861343 887964488 /nfs/dbraw/zinc/96/44/88/887964488.db2.gz CVKJRAFTSHZUIB-QWRGUYRKSA-N 2 0 286.376 -1.466 20 0 CAADRP COC[C@@H](O)C[N@H+](C)CCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001377259922 887985484 /nfs/dbraw/zinc/98/54/84/887985484.db2.gz FQTODKCVTOEKFS-RYUDHWBXSA-N 2 0 273.377 -1.007 20 0 CAADRP C[C@@H](C[NH2+]CC(N)=O)N(C)C(=O)[C@@H]1CN(C)CCO1 ZINC001378756943 888068630 /nfs/dbraw/zinc/06/86/30/888068630.db2.gz QZVQAKOZAFIZOH-UWVGGRQHSA-N 2 0 272.349 -1.761 20 0 CAADRP C[C@H](C[NH2+]CC(N)=O)N(C)C(=O)[C@@H]1CN(C)CCO1 ZINC001378756948 888069271 /nfs/dbraw/zinc/06/92/71/888069271.db2.gz QZVQAKOZAFIZOH-ZJUUUORDSA-N 2 0 272.349 -1.761 20 0 CAADRP C[C@H](C[NH2+]CC(N)=O)N(C)C(=O)[C@H]1CN(C)CCO1 ZINC001378756942 888070883 /nfs/dbraw/zinc/07/08/83/888070883.db2.gz QZVQAKOZAFIZOH-NXEZZACHSA-N 2 0 272.349 -1.761 20 0 CAADRP Cn1nnnc1CNC[C@H](O)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001379191978 888098767 /nfs/dbraw/zinc/09/87/67/888098767.db2.gz UWWOWIRYSAHRHP-UWVGGRQHSA-N 2 0 297.363 -2.129 20 0 CAADRP CNC(=O)C[NH2+]C[C@H](O)CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001379204941 888104380 /nfs/dbraw/zinc/10/43/80/888104380.db2.gz CUYKZTBLPFIWCU-NWDGAFQWSA-N 2 0 298.387 -1.859 20 0 CAADRP CNC(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001379204937 888105468 /nfs/dbraw/zinc/10/54/68/888105468.db2.gz CUYKZTBLPFIWCU-NEPJUHHUSA-N 2 0 298.387 -1.859 20 0 CAADRP CN1CC[C@H]([NH2+]C[C@@H](O)CNC(=O)CC[NH+](C)C)C1=O ZINC001379239171 888110393 /nfs/dbraw/zinc/11/03/93/888110393.db2.gz GJGZAKZXKUGQKM-MNOVXSKESA-N 2 0 286.376 -1.765 20 0 CAADRP CC[C@H](C(=O)NC[C@H](O)C[NH2+]CC(=O)NC)[NH+](C)C ZINC001379259100 888115008 /nfs/dbraw/zinc/11/50/08/888115008.db2.gz OAIPWCZTAILTNT-NXEZZACHSA-N 2 0 274.365 -1.861 20 0 CAADRP C[N@@H+]1CC[C@H](C(=O)NC[C@@H](O)C[NH2+]CC(=O)N2CCC2)C1 ZINC001379289006 888117344 /nfs/dbraw/zinc/11/73/44/888117344.db2.gz NOKPRJIZFBJPAX-RYUDHWBXSA-N 2 0 298.387 -1.763 20 0 CAADRP C[C@@H]([NH2+]C[C@H](O)CNC(=O)C[NH+]1CCCC1)C(N)=O ZINC001379289989 888117536 /nfs/dbraw/zinc/11/75/36/888117536.db2.gz QDZPVPKQGRCJKI-ZJUUUORDSA-N 2 0 272.349 -1.977 20 0 CAADRP C[C@H]([NH2+]C[C@@H](O)CNC(=O)C[NH+]1CCCC1)C(N)=O ZINC001379289985 888119222 /nfs/dbraw/zinc/11/92/22/888119222.db2.gz QDZPVPKQGRCJKI-VHSXEESVSA-N 2 0 272.349 -1.977 20 0 CAADRP C[N@@H+]1CC[C@@H](C(=O)NC[C@H](O)C[NH2+]CC(=O)N2CCC2)C1 ZINC001379289009 888119585 /nfs/dbraw/zinc/11/95/85/888119585.db2.gz NOKPRJIZFBJPAX-VXGBXAGGSA-N 2 0 298.387 -1.763 20 0 CAADRP Cn1nccc1C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001379293605 888121694 /nfs/dbraw/zinc/12/16/94/888121694.db2.gz XEJSCHPHKBVTSO-DGCLKSJQSA-N 2 0 295.387 -1.062 20 0 CAADRP CC[C@@H]1[C@@H](C(=O)NC[C@@H](CO)[NH2+]CCO)CC[N@@H+]1C ZINC001379392248 888133844 /nfs/dbraw/zinc/13/38/44/888133844.db2.gz BYQPJWYWLIUEJL-SDDRHHMPSA-N 2 0 273.377 -1.224 20 0 CAADRP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](CO)[NH2+]CCO ZINC001379413661 888139528 /nfs/dbraw/zinc/13/95/28/888139528.db2.gz QDTSDCWWNHZJSF-RYUDHWBXSA-N 2 0 273.377 -1.080 20 0 CAADRP C[C@@H]([NH2+][C@H](CO)CNC(=O)C[N@H+](C)C1CCC1)C(N)=O ZINC001379406670 888140104 /nfs/dbraw/zinc/14/01/04/888140104.db2.gz ALCNNGSVYMZEPJ-ZJUUUORDSA-N 2 0 286.376 -1.589 20 0 CAADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](CO)[NH2+]CCO ZINC001379409758 888140703 /nfs/dbraw/zinc/14/07/03/888140703.db2.gz XFYGRVIEFLBZJM-VXGBXAGGSA-N 2 0 273.377 -1.082 20 0 CAADRP C[C@H](C[NH2+]CC(=O)NC(N)=O)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001379416626 888140795 /nfs/dbraw/zinc/14/07/95/888140795.db2.gz LNHMGCZUZQUMIT-NXEZZACHSA-N 2 0 299.375 -1.383 20 0 CAADRP C[C@@H]([NH2+][C@@H](CO)CNC(=O)C[N@H+](C)C1CCC1)C(N)=O ZINC001379406667 888141317 /nfs/dbraw/zinc/14/13/17/888141317.db2.gz ALCNNGSVYMZEPJ-NXEZZACHSA-N 2 0 286.376 -1.589 20 0 CAADRP CC(C)(C(=O)NC[C@H](CO)[NH2+]CCO)[NH+]1CCCC1 ZINC001379460213 888145636 /nfs/dbraw/zinc/14/56/36/888145636.db2.gz FNTRFLFEBAKPGX-LLVKDONJSA-N 2 0 273.377 -1.080 20 0 CAADRP C[NH+](C)CC1(C(=O)NC[C@@H](CO)[NH2+]CC(N)=O)CC1 ZINC001379478917 888149946 /nfs/dbraw/zinc/14/99/46/888149946.db2.gz OPMYKZUBEFKLEL-VIFPVBQESA-N 2 0 272.349 -2.120 20 0 CAADRP C[NH+]1CCC(CC(=O)NC[C@@H](CO)[NH2+]CCO)CC1 ZINC001379481367 888150530 /nfs/dbraw/zinc/15/05/30/888150530.db2.gz LNKJAHPHJCSMMI-LBPRGKRZSA-N 2 0 273.377 -1.223 20 0 CAADRP C[N@@H+]1CC[C@H](C(=O)NC[C@H](CO)[NH2+]CC(=O)NC2CC2)C1 ZINC001379524838 888159585 /nfs/dbraw/zinc/15/95/85/888159585.db2.gz GKKRJYYUJPUGFQ-CMPLNLGQSA-N 2 0 298.387 -1.717 20 0 CAADRP CNC(=O)[C@H](C)[NH2+][C@@H](CO)CNC(=O)C[N@H+](C)C(C)C ZINC001379526657 888159941 /nfs/dbraw/zinc/15/99/41/888159941.db2.gz RCLYTIKMZGSVMV-WDEREUQCSA-N 2 0 288.392 -1.472 20 0 CAADRP CNC(=O)[C@H](C)[NH2+][C@H](CO)CNC(=O)C[N@H+](C)C(C)C ZINC001379526656 888160604 /nfs/dbraw/zinc/16/06/04/888160604.db2.gz RCLYTIKMZGSVMV-QWRGUYRKSA-N 2 0 288.392 -1.472 20 0 CAADRP C[N@@H+]1CC[C@H](C(=O)NC[C@@H](CO)[NH2+]CC(=O)NC2CC2)C1 ZINC001379524842 888160629 /nfs/dbraw/zinc/16/06/29/888160629.db2.gz GKKRJYYUJPUGFQ-JQWIXIFHSA-N 2 0 298.387 -1.717 20 0 CAADRP CNC(=O)[C@@H](C)[NH2+][C@H](CO)CNC(=O)C[N@H+](C)C(C)C ZINC001379526654 888161209 /nfs/dbraw/zinc/16/12/09/888161209.db2.gz RCLYTIKMZGSVMV-MNOVXSKESA-N 2 0 288.392 -1.472 20 0 CAADRP CN(C[C@H](O)C[N@H+](C)CCO)C(=O)[C@@H]1CN(C)CCO1 ZINC001379921047 888179112 /nfs/dbraw/zinc/17/91/12/888179112.db2.gz XSLBLNDABVVMFP-NEPJUHHUSA-N 2 0 289.376 -1.940 20 0 CAADRP CCC[N@H+](C)CC(=O)NCC1([NH2+]CC(=O)NC(N)=O)CC1 ZINC001380161543 888194356 /nfs/dbraw/zinc/19/43/56/888194356.db2.gz ZUAAECSCGCPOKV-UHFFFAOYSA-N 2 0 299.375 -1.239 20 0 CAADRP C[C@@H](O)C[N@@H+]1CC[C@](O)(CNC(=O)CC[NH+](C)C)C1 ZINC001380553007 888209090 /nfs/dbraw/zinc/20/90/90/888209090.db2.gz MURUQAWVPPBRHI-YPMHNXCESA-N 2 0 273.377 -1.128 20 0 CAADRP C[C@H]1CC[N@H+](CC(=O)N2CCO[C@H](C[NH2+]CC(N)=O)C2)C1 ZINC001380909271 888234866 /nfs/dbraw/zinc/23/48/66/888234866.db2.gz AZCNLTQKNAZJJA-NWDGAFQWSA-N 2 0 298.387 -1.370 20 0 CAADRP C[NH+](C)CCCC(=O)N1CCO[C@@H](C[NH2+]CC(N)=O)C1 ZINC001380921915 888235077 /nfs/dbraw/zinc/23/50/77/888235077.db2.gz WGEJJBCEJJGCCA-NSHDSACASA-N 2 0 286.376 -1.370 20 0 CAADRP CN(C)C(=O)C[NH2+][C@H](CO)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001382184208 888289794 /nfs/dbraw/zinc/28/97/94/888289794.db2.gz NJGHVLHDYPIHFT-WDEREUQCSA-N 2 0 286.376 -1.765 20 0 CAADRP C[NH+](C)CCC(=O)NC[C@@H](CO)[NH2+][C@@H]1CCCNC1=O ZINC001382235705 888306982 /nfs/dbraw/zinc/30/69/82/888306982.db2.gz NKEMTKRYUIYDJX-WDEREUQCSA-N 2 0 286.376 -1.717 20 0 CAADRP C[N@H+](CC(=O)NC[C@H](CO)[NH2+]CC(N)=O)CC(C)(C)C ZINC001382258766 888318243 /nfs/dbraw/zinc/31/82/43/888318243.db2.gz YHIPDJBQHCUFEA-SNVBAGLBSA-N 2 0 288.392 -1.484 20 0 CAADRP CC[C@H](C(=O)N(C)C[C@@H](O)C[NH2+]CC(=O)NC)[NH+](C)C ZINC001382397270 888346905 /nfs/dbraw/zinc/34/69/05/888346905.db2.gz AMBWPYOWEMXIRX-WDEREUQCSA-N 2 0 288.392 -1.519 20 0 CAADRP C[NH+](C)CCC(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001389986938 888566777 /nfs/dbraw/zinc/56/67/77/888566777.db2.gz KHNQSSTWRAQHSU-DTORHVGOSA-N 2 0 285.348 -1.630 20 0 CAADRP C[C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)[NH2+]CC(=O)NC(N)=O ZINC001390453517 888580134 /nfs/dbraw/zinc/58/01/34/888580134.db2.gz LYDWDBTYLPDQTI-ZJUUUORDSA-N 2 0 299.375 -1.240 20 0 CAADRP C[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C)[NH2+]CC(=O)NC(N)=O ZINC001390464025 888585021 /nfs/dbraw/zinc/58/50/21/888585021.db2.gz XAPDEZQJJBADRO-DTWKUNHWSA-N 2 0 285.348 -1.630 20 0 CAADRP CC[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]CC(=O)NC(N)=O ZINC001391746980 888643127 /nfs/dbraw/zinc/64/31/27/888643127.db2.gz DHAHAEXXZZVOOQ-ZJUUUORDSA-N 2 0 299.375 -1.383 20 0 CAADRP CC[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]CC(=O)NC(N)=O ZINC001391746978 888643534 /nfs/dbraw/zinc/64/35/34/888643534.db2.gz DHAHAEXXZZVOOQ-UWVGGRQHSA-N 2 0 299.375 -1.383 20 0 CAADRP CNC(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001392384979 888689625 /nfs/dbraw/zinc/68/96/25/888689625.db2.gz IXQJDHVCDREHLB-MNOVXSKESA-N 2 0 286.376 -1.717 20 0 CAADRP C[C@@H]([NH2+]C[C@@H](O)CNC(=O)C1([NH+](C)C)CCC1)C(N)=O ZINC001392377469 888690245 /nfs/dbraw/zinc/69/02/45/888690245.db2.gz SGXBUDRRCHWDJS-NXEZZACHSA-N 2 0 286.376 -1.589 20 0 CAADRP C[C@@H]([NH2+]C[C@H](O)CNC(=O)C1([NH+](C)C)CCC1)C(N)=O ZINC001392377475 888690615 /nfs/dbraw/zinc/69/06/15/888690615.db2.gz SGXBUDRRCHWDJS-ZJUUUORDSA-N 2 0 286.376 -1.589 20 0 CAADRP CNC(=O)C[NH2+]C[C@H](O)CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001392392303 888694336 /nfs/dbraw/zinc/69/43/36/888694336.db2.gz KAPDKTLCFRQUAR-CMPLNLGQSA-N 2 0 288.392 -1.615 20 0 CAADRP CC(C)[C@@H](C(=O)NC[C@H](O)C[NH2+]CC(N)=O)[NH+](C)C ZINC001392420993 888703194 /nfs/dbraw/zinc/70/31/94/888703194.db2.gz KQGTWQPSWOERPL-KOLCDFICSA-N 2 0 274.365 -1.875 20 0 CAADRP Cn1nncc1C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001392421591 888704952 /nfs/dbraw/zinc/70/49/52/888704952.db2.gz GIXDEHUHQZGBPI-ZYHUDNBSSA-N 2 0 296.375 -1.667 20 0 CAADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H](O)C[NH2+]CC(N)=O ZINC001392434375 888705336 /nfs/dbraw/zinc/70/53/36/888705336.db2.gz XGFVXBBNSFQHSJ-WDEREUQCSA-N 2 0 286.376 -1.587 20 0 CAADRP O=C(NC[C@H](O)C[NH2+][C@@H]1CCNC1=O)C12CC[NH+](CC1)C2 ZINC001392422387 888705763 /nfs/dbraw/zinc/70/57/63/888705763.db2.gz KHTHKQPNBJLYBZ-GHMZBOCLSA-N 2 0 296.371 -1.963 20 0 CAADRP CNC(=O)C[NH2+]C[C@@H](O)CNC(=O)C[N@H+](C)C(C)C ZINC001392427037 888706710 /nfs/dbraw/zinc/70/67/10/888706710.db2.gz LJRDUYOGZLBBJA-SNVBAGLBSA-N 2 0 274.365 -1.861 20 0 CAADRP C[C@H]([NH2+]C[C@H](O)CNC(=O)C12CC[NH+](CC1)C2)C(N)=O ZINC001392424379 888707352 /nfs/dbraw/zinc/70/73/52/888707352.db2.gz NRGWWDDPNPKJCX-UWVGGRQHSA-N 2 0 284.360 -1.977 20 0 CAADRP C[C@H](C[NH2+]CC(=O)NC(N)=O)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001392478652 888716090 /nfs/dbraw/zinc/71/60/90/888716090.db2.gz YOCSSHOMVSRDJQ-OPRDCNLKSA-N 2 0 299.375 -1.384 20 0 CAADRP CNC(=O)NC(=O)C[NH2+]C[C@H](C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001392613755 888727610 /nfs/dbraw/zinc/72/76/10/888727610.db2.gz MGKKEGTXFRXITQ-VHSXEESVSA-N 2 0 299.375 -1.512 20 0 CAADRP CNC(=O)NC(=O)C[NH2+]C[C@H](C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001392613731 888728099 /nfs/dbraw/zinc/72/80/99/888728099.db2.gz MGKKEGTXFRXITQ-UWVGGRQHSA-N 2 0 299.375 -1.512 20 0 CAADRP CC[C@H](C(=O)NC[C@]1(O)CC[N@H+](CCO)C1)[NH+](C)C ZINC001393284903 888771674 /nfs/dbraw/zinc/77/16/74/888771674.db2.gz ONSNNKMJYXAYKL-DGCLKSJQSA-N 2 0 273.377 -1.128 20 0 CAADRP CC[C@H](C(=O)NC[C@@]1(O)CC[N@H+](CCO)C1)[NH+](C)C ZINC001393284910 888772803 /nfs/dbraw/zinc/77/28/03/888772803.db2.gz ONSNNKMJYXAYKL-YPMHNXCESA-N 2 0 273.377 -1.128 20 0 CAADRP C[N@@H+]1CC[C@H](C(=O)N2CCO[C@H](C[NH2+]CC(N)=O)C2)C1 ZINC001393587806 888794871 /nfs/dbraw/zinc/79/48/71/888794871.db2.gz TUNPTFGXJSDEKK-WDEREUQCSA-N 2 0 284.360 -1.760 20 0 CAADRP C[N@@H+]1CC[C@H](C(=O)N2CCO[C@@H](C[NH2+]CC(N)=O)C2)C1 ZINC001393587805 888796278 /nfs/dbraw/zinc/79/62/78/888796278.db2.gz TUNPTFGXJSDEKK-QWRGUYRKSA-N 2 0 284.360 -1.760 20 0 CAADRP C[C@H]([NH2+]C[C@H]1CN(C(=O)CC[NH+](C)C)CCO1)C(N)=O ZINC001393580018 888796307 /nfs/dbraw/zinc/79/63/07/888796307.db2.gz AJVXPCHZLHIXAU-QWRGUYRKSA-N 2 0 286.376 -1.371 20 0 CAADRP C[N@@H+]1CC[C@@H](C(=O)N2CCC(O)(C[NH2+]CC(N)=O)CC2)C1 ZINC001393778590 888804772 /nfs/dbraw/zinc/80/47/72/888804772.db2.gz VNGXZWMOZXNWLB-LLVKDONJSA-N 2 0 298.387 -1.634 20 0 CAADRP C[C@@H](NC(=O)C[NH+]1CCCC1)[C@@H](C)[NH2+]CC(=O)NC(N)=O ZINC001393996456 888810476 /nfs/dbraw/zinc/81/04/76/888810476.db2.gz RCZSYYNJBUGULD-NXEZZACHSA-N 2 0 299.375 -1.240 20 0 CAADRP C[C@@H]([NH2+]CC(=O)NC(N)=O)[C@H](C)NC(=O)C[NH+]1CCCC1 ZINC001393996477 888811424 /nfs/dbraw/zinc/81/14/24/888811424.db2.gz RCZSYYNJBUGULD-ZJUUUORDSA-N 2 0 299.375 -1.240 20 0 CAADRP CNC(=O)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001394349870 888826930 /nfs/dbraw/zinc/82/69/30/888826930.db2.gz WSUKVDGQOKCYSX-CNDDSTCGSA-N 2 0 282.388 -1.022 20 0 CAADRP CC[C@H](C(=O)NC[C@@H](CO)[NH2+]CC(=O)N(C)C)[NH+](C)C ZINC001394607025 888858381 /nfs/dbraw/zinc/85/83/81/888858381.db2.gz AWCRGKUAKYJQFD-WDEREUQCSA-N 2 0 288.392 -1.519 20 0 CAADRP C[NH+](C)C1(C(=O)NC[C@@H](CO)[NH2+][C@H]2CCNC2=O)CCC1 ZINC001394613805 888860304 /nfs/dbraw/zinc/86/03/04/888860304.db2.gz VSLPWSMVBOLTQX-QWRGUYRKSA-N 2 0 298.387 -1.574 20 0 CAADRP O=C(NC[C@H](CO)[NH2+]CCO)C12CCC[NH+]1CCC2 ZINC001394611975 888861818 /nfs/dbraw/zinc/86/18/18/888861818.db2.gz YSQVGBRVRQVFLF-LLVKDONJSA-N 2 0 271.361 -1.326 20 0 CAADRP O=C(NC[C@@H](CO)[NH2+]CCO)C12CCC[NH+]1CCC2 ZINC001394612006 888862372 /nfs/dbraw/zinc/86/23/72/888862372.db2.gz YSQVGBRVRQVFLF-NSHDSACASA-N 2 0 271.361 -1.326 20 0 CAADRP C[C@H](O)C[NH2+][C@@H](CO)CNC(=O)C1(C[NH+](C)C)CC1 ZINC001394621825 888866726 /nfs/dbraw/zinc/86/67/26/888866726.db2.gz NVYMTTNZAOIORV-WDEREUQCSA-N 2 0 273.377 -1.224 20 0 CAADRP C[C@@H](O)C[NH2+][C@H](CO)CNC(=O)C1(C[NH+](C)C)CC1 ZINC001394621821 888867044 /nfs/dbraw/zinc/86/70/44/888867044.db2.gz NVYMTTNZAOIORV-MNOVXSKESA-N 2 0 273.377 -1.224 20 0 CAADRP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H](CO)[NH2+]CCO ZINC001394642680 888868547 /nfs/dbraw/zinc/86/85/47/888868547.db2.gz CXMTVBQDDWGJBA-RYUDHWBXSA-N 2 0 273.377 -1.080 20 0 CAADRP O=C(CC[NH+]1CCCCC1)NC[C@H](CO)[NH2+]CCO ZINC001394642085 888870837 /nfs/dbraw/zinc/87/08/37/888870837.db2.gz BDTOYGHYLOBURS-GFCCVEGCSA-N 2 0 273.377 -1.079 20 0 CAADRP CC(C)[C@@H](C(=O)NC[C@@H](CO)[NH2+]CC(N)=O)[NH+](C)C ZINC001394640320 888870860 /nfs/dbraw/zinc/87/08/60/888870860.db2.gz BACLGZSPOUETGD-ONGXEEELSA-N 2 0 274.365 -1.875 20 0 CAADRP CC(C)[C@@H](C(=O)NC[C@H](CO)[NH2+]CC(N)=O)[NH+](C)C ZINC001394640318 888871031 /nfs/dbraw/zinc/87/10/31/888871031.db2.gz BACLGZSPOUETGD-KOLCDFICSA-N 2 0 274.365 -1.875 20 0 CAADRP CNC(=O)[C@@H](C)[NH2+][C@@H](CO)CNC(=O)C[NH+]1CCCC1 ZINC001394653451 888873155 /nfs/dbraw/zinc/87/31/55/888873155.db2.gz NSLUVNUDFKGQNX-GHMZBOCLSA-N 2 0 286.376 -1.717 20 0 CAADRP CNC(=O)[C@@H](C)[NH2+][C@H](CO)CNC(=O)C[NH+]1CCCC1 ZINC001394653454 888876035 /nfs/dbraw/zinc/87/60/35/888876035.db2.gz NSLUVNUDFKGQNX-MNOVXSKESA-N 2 0 286.376 -1.717 20 0 CAADRP Cn1nccc1C[NH2+][C@H](CO)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001394658509 888877904 /nfs/dbraw/zinc/87/79/04/888877904.db2.gz XMEDESRLRQEKNT-NEPJUHHUSA-N 2 0 295.387 -1.062 20 0 CAADRP Cn1nccc1C[NH2+][C@H](CO)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001394658518 888878214 /nfs/dbraw/zinc/87/82/14/888878214.db2.gz XMEDESRLRQEKNT-RYUDHWBXSA-N 2 0 295.387 -1.062 20 0 CAADRP CN(C[C@@H](O)C[NH2+]CC(N)=O)C(=O)C[N@H+](C)C1CCC1 ZINC001394743506 888888951 /nfs/dbraw/zinc/88/89/51/888888951.db2.gz RWCBZMDPQPPJRJ-NSHDSACASA-N 2 0 286.376 -1.635 20 0 CAADRP C[C@H]([NH2+]C[C@@H](O)CN(C)C(=O)CC[NH+](C)C)C(N)=O ZINC001394762705 888892748 /nfs/dbraw/zinc/89/27/48/888892748.db2.gz QJLJXKIEZITAFU-VHSXEESVSA-N 2 0 274.365 -1.779 20 0 CAADRP C[C@@H]([NH2+]C[C@@H](O)CN(C)C(=O)C[NH+]1CCCC1)C(N)=O ZINC001394753750 888893319 /nfs/dbraw/zinc/89/33/19/888893319.db2.gz LCYYZBJMHUOIHW-GHMZBOCLSA-N 2 0 286.376 -1.635 20 0 CAADRP CC(C)[N@H+](C)CC(=O)N(C)C[C@@H](O)C[NH2+]CC(N)=O ZINC001394765691 888893438 /nfs/dbraw/zinc/89/34/38/888893438.db2.gz RNFKCKHSKFLDFV-JTQLQIEISA-N 2 0 274.365 -1.779 20 0 CAADRP CNC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001399183847 889036419 /nfs/dbraw/zinc/03/64/19/889036419.db2.gz HLIQVMMMDQEPOJ-JTQLQIEISA-N 2 0 299.375 -1.416 20 0 CAADRP C[NH+](C)CCC(=O)NC[C@@H]1CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001399925299 889076130 /nfs/dbraw/zinc/07/61/30/889076130.db2.gz GPADCKHPXFLSES-JTQLQIEISA-N 2 0 299.375 -1.429 20 0 CAADRP C[NH+](C)CCC(=O)NC[C@H]1CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001399925304 889077282 /nfs/dbraw/zinc/07/72/82/889077282.db2.gz GPADCKHPXFLSES-SNVBAGLBSA-N 2 0 299.375 -1.429 20 0 CAADRP C[C@H](C[NH2+]CC(=O)NC(N)=O)N(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001401204021 889132776 /nfs/dbraw/zinc/13/27/76/889132776.db2.gz QGKIWLAWQNJFDZ-ZJUUUORDSA-N 2 0 299.375 -1.288 20 0 CAADRP C[C@@H]([NH2+]C[C@H](O)CNC(=O)C1CC[NH+](C)CC1)C(N)=O ZINC001401564122 889156402 /nfs/dbraw/zinc/15/64/02/889156402.db2.gz VSEPFXSXSNFHKD-KOLCDFICSA-N 2 0 286.376 -1.731 20 0 CAADRP C[C@H]([NH2+]C[C@H](O)CNC(=O)C1CC[NH+](C)CC1)C(N)=O ZINC001401564125 889156531 /nfs/dbraw/zinc/15/65/31/889156531.db2.gz VSEPFXSXSNFHKD-ONGXEEELSA-N 2 0 286.376 -1.731 20 0 CAADRP C[NH+](C)CCC(=O)NC[C@H](O)C[NH2+][C@H]1CCNC1=O ZINC001401568173 889159758 /nfs/dbraw/zinc/15/97/58/889159758.db2.gz ZXJQEEJCAONSLZ-ZJUUUORDSA-N 2 0 272.349 -2.107 20 0 CAADRP C[C@@H]([NH2+]C[C@H](O)CNC(=O)C1(C[NH+](C)C)CC1)C(N)=O ZINC001401567122 889161868 /nfs/dbraw/zinc/16/18/68/889161868.db2.gz KHEVDIMRTULPSX-ZJUUUORDSA-N 2 0 286.376 -1.731 20 0 CAADRP O=C(C[NH+]1CCCC1)NC[C@@H](O)C[NH2+]CC(=O)N1CCC1 ZINC001401567724 889162165 /nfs/dbraw/zinc/16/21/65/889162165.db2.gz NSLQPTKTMJAGOS-LBPRGKRZSA-N 2 0 298.387 -1.619 20 0 CAADRP CN(C)C(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001401574956 889163520 /nfs/dbraw/zinc/16/35/20/889163520.db2.gz FCBVZDSIZNFPPH-WDEREUQCSA-N 2 0 286.376 -1.907 20 0 CAADRP CN(C)C(=O)C[NH2+]C[C@H](O)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001401574949 889165399 /nfs/dbraw/zinc/16/53/99/889165399.db2.gz FCBVZDSIZNFPPH-QWRGUYRKSA-N 2 0 286.376 -1.907 20 0 CAADRP CNC(=O)NC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001401620348 889170560 /nfs/dbraw/zinc/17/05/60/889170560.db2.gz KIZLTGGKHPZHSX-ZJUUUORDSA-N 2 0 299.375 -1.370 20 0 CAADRP C[C@H](C[NH2+]CC(=O)NC(N)=O)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001401652659 889174102 /nfs/dbraw/zinc/17/41/02/889174102.db2.gz NQYZNKOTLWIIGP-NXEZZACHSA-N 2 0 299.375 -1.383 20 0 CAADRP CC(C)[N@H+](C)CC(=O)N[C@H](C)C[NH2+]CC(=O)NC(N)=O ZINC001401676942 889175656 /nfs/dbraw/zinc/17/56/56/889175656.db2.gz YRCQABVYCJRQMM-SECBINFHSA-N 2 0 287.364 -1.384 20 0 CAADRP O=C(C[NH+]1CCCC1)NCCN1CC[NH+](CCO)CC1 ZINC001402157260 889202614 /nfs/dbraw/zinc/20/26/14/889202614.db2.gz GMDNJDSHWKHUDW-UHFFFAOYSA-N 2 0 284.404 -1.192 20 0 CAADRP C[NH+](C)CCC(=O)NCC1([NH2+]CC(N)=O)CCOCC1 ZINC001402239963 889212449 /nfs/dbraw/zinc/21/24/49/889212449.db2.gz CHUZCWSUJIHJFP-UHFFFAOYSA-N 2 0 286.376 -1.322 20 0 CAADRP CC(C)[N@H+](C)CC(=O)N[C@H]1C[C@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001402545214 889248780 /nfs/dbraw/zinc/24/87/80/889248780.db2.gz ATCAFHCZSQGWSS-MGCOHNPYSA-N 2 0 299.375 -1.242 20 0 CAADRP CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CC[NH+](C)C)CCO1 ZINC001402613302 889255366 /nfs/dbraw/zinc/25/53/66/889255366.db2.gz YQECTQONWUXGQW-LLVKDONJSA-N 2 0 286.376 -1.499 20 0 CAADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@](CO)([NH2+]CC(N)=O)C1 ZINC001402727062 889257302 /nfs/dbraw/zinc/25/73/02/889257302.db2.gz QZEPPANVFWXINL-FZMZJTMJSA-N 2 0 298.387 -1.491 20 0 CAADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@](CO)([NH2+]CC(N)=O)C1 ZINC001402727064 889258788 /nfs/dbraw/zinc/25/87/88/889258788.db2.gz QZEPPANVFWXINL-RISCZKNCSA-N 2 0 298.387 -1.491 20 0 CAADRP C[C@@H](CCNC(=O)C[NH+]1CCCC1)[NH2+]CC(=O)NC(N)=O ZINC001403460118 889307595 /nfs/dbraw/zinc/30/75/95/889307595.db2.gz BVQDLJWUOMJNSA-JTQLQIEISA-N 2 0 299.375 -1.239 20 0 CAADRP CC[C@H](C(=O)NC[C@@H](CO)[NH2+]CC(=O)NC)[NH+](C)C ZINC001403714550 889355361 /nfs/dbraw/zinc/35/53/61/889355361.db2.gz CJLNDYNIHSHTRW-VHSXEESVSA-N 2 0 274.365 -1.861 20 0 CAADRP CC[C@H](C(=O)NC[C@H](CO)[NH2+]CC(=O)NC)[NH+](C)C ZINC001403714497 889356265 /nfs/dbraw/zinc/35/62/65/889356265.db2.gz CJLNDYNIHSHTRW-NXEZZACHSA-N 2 0 274.365 -1.861 20 0 CAADRP C[C@H]([NH2+][C@@H](CO)CNC(=O)C[NH+]1CCCC1)C(N)=O ZINC001403734145 889359844 /nfs/dbraw/zinc/35/98/44/889359844.db2.gz DDPDVBNQQNDSCL-VHSXEESVSA-N 2 0 272.349 -1.977 20 0 CAADRP NC(=O)C[NH2+][C@@H](CO)CNC(=O)C12CC[NH+](CC1)C2 ZINC001403730463 889361049 /nfs/dbraw/zinc/36/10/49/889361049.db2.gz RUFLHMOWBUYCTB-SECBINFHSA-N 2 0 270.333 -2.366 20 0 CAADRP NC(=O)C[NH2+][C@H](CO)CNC(=O)C12CC[NH+](CC1)C2 ZINC001403730474 889361721 /nfs/dbraw/zinc/36/17/21/889361721.db2.gz RUFLHMOWBUYCTB-VIFPVBQESA-N 2 0 270.333 -2.366 20 0 CAADRP Cn1cncc1C[NH2+][C@@H](CO)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001403747037 889365490 /nfs/dbraw/zinc/36/54/90/889365490.db2.gz NQWUYBNZQPMDJR-VXGBXAGGSA-N 2 0 295.387 -1.062 20 0 CAADRP Cn1cncc1C[NH2+][C@H](CO)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001403747004 889366238 /nfs/dbraw/zinc/36/62/38/889366238.db2.gz NQWUYBNZQPMDJR-NEPJUHHUSA-N 2 0 295.387 -1.062 20 0 CAADRP CN(C[C@@H](O)C[NH2+]CC(N)=O)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001403848323 889373497 /nfs/dbraw/zinc/37/34/97/889373497.db2.gz VUFCURHKVQVXRF-RYUDHWBXSA-N 2 0 298.387 -1.778 20 0 CAADRP CN(C(=O)CC[NH+](C)C)C1CC([NH2+]CC(=O)NC(N)=O)C1 ZINC001404018889 889398007 /nfs/dbraw/zinc/39/80/07/889398007.db2.gz PTDOKAALRLBXRJ-UHFFFAOYSA-N 2 0 299.375 -1.288 20 0 CAADRP C[N@@H+]1CCC[C@@H]1CCC(=O)NC[C@H](O)C[NH2+]CC(N)=O ZINC001406253198 889497637 /nfs/dbraw/zinc/49/76/37/889497637.db2.gz XEWHXHOODCZQJF-GHMZBOCLSA-N 2 0 286.376 -1.587 20 0 CAADRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](O)C[NH2+]CC(=O)NC1CC1 ZINC001406259600 889498909 /nfs/dbraw/zinc/49/89/09/889498909.db2.gz UEWAKWVGFJDEGQ-NWDGAFQWSA-N 2 0 298.387 -1.574 20 0 CAADRP C[NH+]1CCC(C(=O)NC[C@@H](O)C[NH2+][C@@H]2CCNC2=O)CC1 ZINC001406262639 889500786 /nfs/dbraw/zinc/50/07/86/889500786.db2.gz XCQTUZYUBNEJHN-NWDGAFQWSA-N 2 0 298.387 -1.717 20 0 CAADRP NC(=O)C[NH2+]C[C@H](O)CNC(=O)C12CC[NH+](CC1)C2 ZINC001406270112 889501894 /nfs/dbraw/zinc/50/18/94/889501894.db2.gz AKSJYSMTIRVLAC-VIFPVBQESA-N 2 0 270.333 -2.366 20 0 CAADRP C[NH+]1CCC(C(=O)NC[C@H](O)C[NH2+][C@H]2CCNC2=O)CC1 ZINC001406262631 889502991 /nfs/dbraw/zinc/50/29/91/889502991.db2.gz XCQTUZYUBNEJHN-NEPJUHHUSA-N 2 0 298.387 -1.717 20 0 CAADRP Cn1cc(C[NH2+]C[C@H](O)CNC(=O)[C@@H]2CC[N@H+](C)C2)cn1 ZINC001406275508 889507676 /nfs/dbraw/zinc/50/76/76/889507676.db2.gz CGDVUQVGHCGSCZ-OLZOCXBDSA-N 2 0 295.387 -1.062 20 0 CAADRP CC(C)[N@H+](C)CC(=O)NC[C@H](O)C[NH2+]CC(=O)N(C)C ZINC001406301185 889509670 /nfs/dbraw/zinc/50/96/70/889509670.db2.gz KTSAWXRAIAJWTD-LLVKDONJSA-N 2 0 288.392 -1.519 20 0 CAADRP C[C@@H]([NH2+]C[C@H](C)NC(=O)[C@H]1CCC[N@@H+]1C)C(=O)NC(N)=O ZINC001406517176 889523837 /nfs/dbraw/zinc/52/38/37/889523837.db2.gz NGGQUHRFQILHOZ-IVZWLZJFSA-N 2 0 299.375 -1.242 20 0 CAADRP C[C@@H](C[NH2+][C@@H](C)C(=O)NC(N)=O)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001406517190 889525468 /nfs/dbraw/zinc/52/54/68/889525468.db2.gz NGGQUHRFQILHOZ-LPEHRKFASA-N 2 0 299.375 -1.242 20 0 CAADRP C[C@H]([NH2+]C1(CNC(=O)CC[NH+](C)C)CC1)C(=O)NC(N)=O ZINC001406961177 889549151 /nfs/dbraw/zinc/54/91/51/889549151.db2.gz UYCGQYLDMDXVTH-VIFPVBQESA-N 2 0 299.375 -1.240 20 0 CAADRP O=C(NC[C@@]1(O)CC[N@@H+](CCO)C1)C12CC[NH+](CC1)C2 ZINC001407373842 889567226 /nfs/dbraw/zinc/56/72/26/889567226.db2.gz QCDJAQQNIHYXCY-AWEZNQCLSA-N 2 0 283.372 -1.373 20 0 CAADRP NC(=O)C[NH2+]C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)CCO1 ZINC001407865146 889593653 /nfs/dbraw/zinc/59/36/53/889593653.db2.gz LJGJDAVCPFSJCN-LLVKDONJSA-N 2 0 296.371 -1.616 20 0 CAADRP C[C@@H](O)C[NH2+][C@H](CO)CNC(=O)C[N@H+](C)C1CCC1 ZINC001410646807 889694475 /nfs/dbraw/zinc/69/44/75/889694475.db2.gz DEHFTWRPICUBSO-MNOVXSKESA-N 2 0 273.377 -1.082 20 0 CAADRP CNC(=O)C[NH2+][C@H](CO)CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001410657685 889695652 /nfs/dbraw/zinc/69/56/52/889695652.db2.gz NMQGVTLCEGGGNW-RYUDHWBXSA-N 2 0 298.387 -1.859 20 0 CAADRP CNC(=O)C[NH2+][C@@H](CO)CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001410657693 889696114 /nfs/dbraw/zinc/69/61/14/889696114.db2.gz NMQGVTLCEGGGNW-VXGBXAGGSA-N 2 0 298.387 -1.859 20 0 CAADRP CN(C)C(=O)C[NH2+][C@@H](CO)CNC(=O)C12CC[NH+](CC1)C2 ZINC001410754480 889710432 /nfs/dbraw/zinc/71/04/32/889710432.db2.gz OKHWVDZKHOPYFE-LLVKDONJSA-N 2 0 298.387 -1.763 20 0 CAADRP CCNC(=O)C[NH2+][C@H](CO)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001410780325 889712948 /nfs/dbraw/zinc/71/29/48/889712948.db2.gz DXXFTNGCQPGMJY-QWRGUYRKSA-N 2 0 286.376 -1.859 20 0 CAADRP CNC(=O)C[NH2+][C@@H](CO)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001410783305 889713896 /nfs/dbraw/zinc/71/38/96/889713896.db2.gz ICBZCGVTEFXRAG-NXEZZACHSA-N 2 0 272.349 -2.249 20 0 CAADRP CC[N@H+](C)CCC(=O)NC[C@@H](CO)[NH2+][C@H]1CCNC1=O ZINC001410768198 889713941 /nfs/dbraw/zinc/71/39/41/889713941.db2.gz HUTSLCHOFIQSQQ-QWRGUYRKSA-N 2 0 286.376 -1.717 20 0 CAADRP CNC(=O)C[NH2+][C@@H](CO)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001410783318 889714903 /nfs/dbraw/zinc/71/49/03/889714903.db2.gz ICBZCGVTEFXRAG-VHSXEESVSA-N 2 0 272.349 -2.249 20 0 CAADRP CC[C@H]([NH2+][C@H](CO)CNC(=O)C[NH+]1CCCC1)C(N)=O ZINC001410792587 889717687 /nfs/dbraw/zinc/71/76/87/889717687.db2.gz TUANWDZTESLKGK-QWRGUYRKSA-N 2 0 286.376 -1.587 20 0 CAADRP C[C@H]1C[C@H]([NH2+]CC(=O)NC(N)=O)CN1C(=O)CC[NH+](C)C ZINC001410844053 889722436 /nfs/dbraw/zinc/72/24/36/889722436.db2.gz CYZKHMMERGWWGE-UWVGGRQHSA-N 2 0 299.375 -1.288 20 0 CAADRP C[C@H]1C[C@@H]([NH2+]CC(=O)NC(N)=O)CN1C(=O)CC[NH+](C)C ZINC001410844063 889722660 /nfs/dbraw/zinc/72/26/60/889722660.db2.gz CYZKHMMERGWWGE-VHSXEESVSA-N 2 0 299.375 -1.288 20 0 CAADRP CN(C[C@H](O)C[NH2+][C@H]1CCNC1=O)C(=O)CC[NH+](C)C ZINC001411069145 889730434 /nfs/dbraw/zinc/73/04/34/889730434.db2.gz CNEFBBGIAHWSCG-MNOVXSKESA-N 2 0 286.376 -1.765 20 0 CAADRP CN(C[C@@H](O)C[NH2+][C@@H]1CCNC1=O)C(=O)CC[NH+](C)C ZINC001411069173 889730988 /nfs/dbraw/zinc/73/09/88/889730988.db2.gz CNEFBBGIAHWSCG-WDEREUQCSA-N 2 0 286.376 -1.765 20 0 CAADRP C[N@@H+]1CC[C@@H](C(=O)NCCN2CC[NH+](CCO)CC2)C1 ZINC001417928997 890179248 /nfs/dbraw/zinc/17/92/48/890179248.db2.gz OCOQTVLOJIFCQT-CYBMUJFWSA-N 2 0 284.404 -1.336 20 0 CAADRP CC[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)NC(N)=O)C1)[NH+](C)C ZINC001418103012 890190957 /nfs/dbraw/zinc/19/09/57/890190957.db2.gz HFHRRBWEDDBJJO-AEJSXWLSSA-N 2 0 299.375 -1.242 20 0 CAADRP CC[C@H](C(=O)NC[C@@H](C)[NH2+]CC(=O)NC(N)=O)[NH+](C)C ZINC001418234176 890199118 /nfs/dbraw/zinc/19/91/18/890199118.db2.gz GXXLDUMWNFJIOT-RKDXNWHRSA-N 2 0 287.364 -1.384 20 0 CAADRP C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]CC(=O)NC(N)=O ZINC001418320659 890206643 /nfs/dbraw/zinc/20/66/43/890206643.db2.gz VJVOPVLUMFDYNY-RKDXNWHRSA-N 2 0 285.348 -1.773 20 0 CAADRP C[C@H]([NH2+]CCN(C)C(=O)[C@H]1CCC[N@@H+]1C)C(=O)NC(N)=O ZINC001418818543 890265938 /nfs/dbraw/zinc/26/59/38/890265938.db2.gz VHPSNZULCPDVSV-VHSXEESVSA-N 2 0 299.375 -1.288 20 0 CAADRP C[C@@H]([NH2+]CCN(C)C(=O)[C@H]1CCC[N@@H+]1C)C(=O)NC(N)=O ZINC001418818535 890267181 /nfs/dbraw/zinc/26/71/81/890267181.db2.gz VHPSNZULCPDVSV-NXEZZACHSA-N 2 0 299.375 -1.288 20 0 CAADRP C[C@@H]([NH2+]CCN(C)C(=O)[C@@H]1CCC[N@@H+]1C)C(=O)NC(N)=O ZINC001418818548 890268180 /nfs/dbraw/zinc/26/81/80/890268180.db2.gz VHPSNZULCPDVSV-ZJUUUORDSA-N 2 0 299.375 -1.288 20 0 CAADRP C[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)C[NH2+]CC(=O)NC(N)=O ZINC001419460003 890328082 /nfs/dbraw/zinc/32/80/82/890328082.db2.gz WLAWBVFENKHQJI-UWVGGRQHSA-N 2 0 299.375 -1.383 20 0 CAADRP C[C@H](CNC(=O)CC[NH+](C)C)C[NH2+]CC(=O)NC(N)=O ZINC001419525341 890331112 /nfs/dbraw/zinc/33/11/12/890331112.db2.gz ZIMYIFOOILBXKY-VIFPVBQESA-N 2 0 287.364 -1.525 20 0 CAADRP C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)C[NH2+]CC(=O)NC(N)=O ZINC001419553999 890335569 /nfs/dbraw/zinc/33/55/69/890335569.db2.gz YVBYVUUYCCETOR-VHSXEESVSA-N 2 0 299.375 -1.525 20 0 CAADRP C[C@H](C[NH2+]CC(=O)NC(N)=O)N(C)C(=O)CC[NH+](C)C ZINC001419710768 890346543 /nfs/dbraw/zinc/34/65/43/890346543.db2.gz LUDJGNDGMYTHFO-SECBINFHSA-N 2 0 287.364 -1.431 20 0 CAADRP C[C@H](CCNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]CC(=O)NC(N)=O ZINC001420163729 890401905 /nfs/dbraw/zinc/40/19/05/890401905.db2.gz QNLAVPZYZCXSRV-ZJUUUORDSA-N 2 0 299.375 -1.383 20 0 CAADRP CC(C)(C(=O)NC[C@@H](O)C[NH2+]CC(N)=O)[NH+]1CCCC1 ZINC001420152348 890403503 /nfs/dbraw/zinc/40/35/03/890403503.db2.gz BVCGAHLHHKITMX-JTQLQIEISA-N 2 0 286.376 -1.587 20 0 CAADRP C[C@H](CCNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]CC(=O)NC(N)=O ZINC001420163725 890403697 /nfs/dbraw/zinc/40/36/97/890403697.db2.gz QNLAVPZYZCXSRV-NXEZZACHSA-N 2 0 299.375 -1.383 20 0 CAADRP C[N@@H+]1CC[C@@H](C(=O)NC[C@@H](O)C[NH2+]CC(=O)NC2CC2)C1 ZINC001420195982 890411297 /nfs/dbraw/zinc/41/12/97/890411297.db2.gz ZGKBOFHEWQKFGY-PWSUYJOCSA-N 2 0 298.387 -1.717 20 0 CAADRP CC[N@H+](C)CCC(=O)NC[C@@H](O)C[NH2+][C@H]1CCNC1=O ZINC001420193047 890412117 /nfs/dbraw/zinc/41/21/17/890412117.db2.gz IFCCHGNFPOAUJH-QWRGUYRKSA-N 2 0 286.376 -1.717 20 0 CAADRP C[N@@H+]1CC[C@H](C(=O)NC[C@H](O)C[NH2+]CC(=O)NC2CC2)C1 ZINC001420195980 890412222 /nfs/dbraw/zinc/41/22/22/890412222.db2.gz ZGKBOFHEWQKFGY-CMPLNLGQSA-N 2 0 298.387 -1.717 20 0 CAADRP COC[C@@H](O)C[NH+]1CC(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001421184494 890492257 /nfs/dbraw/zinc/49/22/57/890492257.db2.gz COFLHCHGJWJNFD-OLZOCXBDSA-N 2 0 285.388 -1.007 20 0 CAADRP COC[C@H](O)C[NH+]1CC(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001421184500 890492276 /nfs/dbraw/zinc/49/22/76/890492276.db2.gz COFLHCHGJWJNFD-QWHCGFSZSA-N 2 0 285.388 -1.007 20 0 CAADRP C[N@@H+]1CCC[C@@H]1C(=O)N(CCO)CC[NH2+][C@@H]1CCNC1=O ZINC001421635745 890520581 /nfs/dbraw/zinc/52/05/81/890520581.db2.gz MULTZTVSJWDKSQ-VXGBXAGGSA-N 2 0 298.387 -1.620 20 0 CAADRP C[N@@H+]1CCC[C@@H]1C(=O)N(CCO)CC[NH2+][C@H]1CCNC1=O ZINC001421635735 890520891 /nfs/dbraw/zinc/52/08/91/890520891.db2.gz MULTZTVSJWDKSQ-NWDGAFQWSA-N 2 0 298.387 -1.620 20 0 CAADRP C[N@@H+]1CCCC[C@@H]1C(=O)N1CCO[C@@H](C[NH2+]CC(N)=O)C1 ZINC001421788107 890533152 /nfs/dbraw/zinc/53/31/52/890533152.db2.gz IEJWELURHQTAQQ-NWDGAFQWSA-N 2 0 298.387 -1.227 20 0 CAADRP C[C@@H](C[NH2+]CC(=O)NC(N)=O)N(C)C(=O)C[NH+]1CCCC1 ZINC001421983705 890547048 /nfs/dbraw/zinc/54/70/48/890547048.db2.gz BYNROMOPXHMHKM-JTQLQIEISA-N 2 0 299.375 -1.286 20 0 CAADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](O)C[NH2+]CC(N)=O ZINC001422319532 890575578 /nfs/dbraw/zinc/57/55/78/890575578.db2.gz LACYHIBNIFZZPC-WDEREUQCSA-N 2 0 286.376 -1.587 20 0 CAADRP C[NH+](C)CCC(=O)NC[C@H](O)C[NH2+]CC(=O)N1CCC1 ZINC001422345019 890580919 /nfs/dbraw/zinc/58/09/19/890580919.db2.gz IQMFQLPSQRUHPN-LLVKDONJSA-N 2 0 286.376 -1.763 20 0 CAADRP C[NH+](C)CCC(=O)NC[C@@H](O)C[NH2+]CC(=O)N1CCC1 ZINC001422345022 890581633 /nfs/dbraw/zinc/58/16/33/890581633.db2.gz IQMFQLPSQRUHPN-NSHDSACASA-N 2 0 286.376 -1.763 20 0 CAADRP C[N@@H+]1CC[C@H](CC(=O)NC[C@H](O)C[NH2+]CC(N)=O)C1 ZINC001422400851 890586603 /nfs/dbraw/zinc/58/66/03/890586603.db2.gz PSZACIDSZALDSO-NXEZZACHSA-N 2 0 272.349 -2.120 20 0 CAADRP CN1CC[C@H]([NH2+]C[C@H](O)CNC(=O)C[NH+]2CCCC2)C1=O ZINC001422399354 890586713 /nfs/dbraw/zinc/58/67/13/890586713.db2.gz BAQWBPZLMKARHO-RYUDHWBXSA-N 2 0 298.387 -1.620 20 0 CAADRP Cn1cncc1C[NH2+]C[C@@H](O)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001422399345 890586772 /nfs/dbraw/zinc/58/67/72/890586772.db2.gz AXPPWZMVLYLVCP-WCQYABFASA-N 2 0 295.387 -1.062 20 0 CAADRP Cn1cncc1C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001422399343 890588610 /nfs/dbraw/zinc/58/86/10/890588610.db2.gz AXPPWZMVLYLVCP-DGCLKSJQSA-N 2 0 295.387 -1.062 20 0 CAADRP Cn1cncc1C[NH2+]C[C@H](O)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001422399342 890588747 /nfs/dbraw/zinc/58/87/47/890588747.db2.gz AXPPWZMVLYLVCP-AAEUAGOBSA-N 2 0 295.387 -1.062 20 0 CAADRP Cn1ccc(C[NH2+]C[C@H](O)CNC(=O)[C@@H]2CC[N@H+](C)C2)n1 ZINC001422403120 890590795 /nfs/dbraw/zinc/59/07/95/890590795.db2.gz LGGVQHQNHDTMPD-YPMHNXCESA-N 2 0 295.387 -1.062 20 0 CAADRP Cn1ccc(C[NH2+]C[C@H](O)CNC(=O)[C@H]2CC[N@H+](C)C2)n1 ZINC001422403075 890591446 /nfs/dbraw/zinc/59/14/46/890591446.db2.gz LGGVQHQNHDTMPD-AAEUAGOBSA-N 2 0 295.387 -1.062 20 0 CAADRP C[C@H](C[NH2+]CC(N)=O)NC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001422602259 890604088 /nfs/dbraw/zinc/60/40/88/890604088.db2.gz KMAZLQDQOQGXSA-GHMZBOCLSA-N 2 0 286.376 -1.466 20 0 CAADRP CNC(=O)NC(=O)C[NH2+]C[C@H](C)NC(=O)CC[NH+](C)C ZINC001422698173 890609903 /nfs/dbraw/zinc/60/99/03/890609903.db2.gz SZUBPKBXSFSZSQ-VIFPVBQESA-N 2 0 287.364 -1.512 20 0 CAADRP NC(=O)C[NH2+][C@@H](CO)CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001423217717 890645635 /nfs/dbraw/zinc/64/56/35/890645635.db2.gz KMFQBLPNKAAKQT-MNOVXSKESA-N 2 0 284.360 -2.120 20 0 CAADRP O=C(NC[C@@H](CO)[NH2+]CCO)C12CCC[NH+](CCC1)C2 ZINC001423225733 890648039 /nfs/dbraw/zinc/64/80/39/890648039.db2.gz KCMIZBUPJDELFM-LBPRGKRZSA-N 2 0 285.388 -1.079 20 0 CAADRP CNC(=O)[C@@H](C)[NH2+][C@@H](CO)CNC(=O)CC[NH+](C)C ZINC001423256493 890654461 /nfs/dbraw/zinc/65/44/61/890654461.db2.gz FVBZUHFAKMCUAC-NXEZZACHSA-N 2 0 274.365 -1.861 20 0 CAADRP CNC(=O)[C@H](C)[NH2+][C@@H](CO)CNC(=O)CC[NH+](C)C ZINC001423256507 890654728 /nfs/dbraw/zinc/65/47/28/890654728.db2.gz FVBZUHFAKMCUAC-VHSXEESVSA-N 2 0 274.365 -1.861 20 0 CAADRP C[C@@H](O)C[NH2+][C@H](CO)CNC(=O)C1CC[NH+](C)CC1 ZINC001423255921 890655044 /nfs/dbraw/zinc/65/50/44/890655044.db2.gz CVBIHXUIAGIIRK-PWSUYJOCSA-N 2 0 273.377 -1.224 20 0 CAADRP C[C@H]1C[C@@H](C(=O)NC[C@H](CO)[NH2+]CCO)CC[N@@H+]1C ZINC001423253971 890655055 /nfs/dbraw/zinc/65/50/55/890655055.db2.gz DKIVHODBEZXRRL-SDDRHHMPSA-N 2 0 273.377 -1.224 20 0 CAADRP O=C(C[NH+]1CCCC1)NC[C@H](CO)[NH2+]CCn1cncn1 ZINC001423303766 890663469 /nfs/dbraw/zinc/66/34/69/890663469.db2.gz ONSQQNFXKYUGBH-GFCCVEGCSA-N 2 0 296.375 -1.559 20 0 CAADRP CC(C)[N@H+](C)CC(=O)NC[C@H](CO)[NH2+][C@@H]1CCNC1=O ZINC001423306964 890663832 /nfs/dbraw/zinc/66/38/32/890663832.db2.gz YAXUDCIXPOWFCU-GHMZBOCLSA-N 2 0 286.376 -1.718 20 0 CAADRP CC(C)[N@H+](C)CC(=O)NC[C@@H](CO)[NH2+][C@H]1CCNC1=O ZINC001423306992 890665400 /nfs/dbraw/zinc/66/54/00/890665400.db2.gz YAXUDCIXPOWFCU-QWRGUYRKSA-N 2 0 286.376 -1.718 20 0 CAADRP C[N@@H+]1CCC[C@@H]1C(=O)NCC1([NH2+]CC(N)=O)CCOCC1 ZINC001423710620 890688452 /nfs/dbraw/zinc/68/84/52/890688452.db2.gz BKLFDEHGHCNCRJ-LLVKDONJSA-N 2 0 298.387 -1.179 20 0 CAADRP COCC[N@H+](CCO)CCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001423641054 890688777 /nfs/dbraw/zinc/68/87/77/890688777.db2.gz JLPRDGJGZRQMFR-GFCCVEGCSA-N 2 0 273.377 -1.005 20 0 CAADRP C[N@@H+]1CC[C@@H](C(=O)NCC2([NH2+]CC(N)=O)CCOCC2)C1 ZINC001423731741 890688850 /nfs/dbraw/zinc/68/88/50/890688850.db2.gz VVBSSGYLOOWYHU-LLVKDONJSA-N 2 0 298.387 -1.322 20 0 CAADRP COCC[N@H+](CCO)CCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001423641057 890689519 /nfs/dbraw/zinc/68/95/19/890689519.db2.gz JLPRDGJGZRQMFR-LBPRGKRZSA-N 2 0 273.377 -1.005 20 0 CAADRP C[N@@H+]1CC[C@H](C(=O)NCC2([NH2+]CC(N)=O)CCOCC2)C1 ZINC001423731742 890690628 /nfs/dbraw/zinc/69/06/28/890690628.db2.gz VVBSSGYLOOWYHU-NSHDSACASA-N 2 0 298.387 -1.322 20 0 CAADRP O=C(NC[C@@]1(O)CC[N@@H+](CCO)C1)[C@@H]1C[NH+]2CCC1CC2 ZINC001423768416 890692069 /nfs/dbraw/zinc/69/20/69/890692069.db2.gz TYMXWNLUCMLZDF-HIFRSBDPSA-N 2 0 297.399 -1.127 20 0 CAADRP O=C(NC[C@@]1(O)CC[N@@H+](CCO)C1)[C@H]1C[NH+]2CCC1CC2 ZINC001423768424 890693072 /nfs/dbraw/zinc/69/30/72/890693072.db2.gz TYMXWNLUCMLZDF-ZFWWWQNUSA-N 2 0 297.399 -1.127 20 0 CAADRP C[C@@H]1CC[N@H+](CC(=O)NC[C@@]2(O)CC[NH+](CCO)C2)C1 ZINC001423782632 890699438 /nfs/dbraw/zinc/69/94/38/890699438.db2.gz ASZGZRCNKPLHRE-OCCSQVGLSA-N 2 0 285.388 -1.127 20 0 CAADRP CC[N@H+](C)CCC(=O)N1CCO[C@@H](C[NH2+]CC(N)=O)C1 ZINC001424235482 890725801 /nfs/dbraw/zinc/72/58/01/890725801.db2.gz HDNVNSYIJMOZDV-NSHDSACASA-N 2 0 286.376 -1.370 20 0 CAADRP CC[N@H+](C)CCC(=O)N1CCO[C@H](C[NH2+]CC(N)=O)C1 ZINC001424235480 890726389 /nfs/dbraw/zinc/72/63/89/890726389.db2.gz HDNVNSYIJMOZDV-LLVKDONJSA-N 2 0 286.376 -1.370 20 0 CAADRP CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C[NH+]2CCCC2)CCO1 ZINC001424238956 890727469 /nfs/dbraw/zinc/72/74/69/890727469.db2.gz LVUJLZJUUHHWBP-GFCCVEGCSA-N 2 0 298.387 -1.355 20 0 CAADRP C[NH+](C)CCC(=O)N1CCO[C@H](C[NH2+]CC(N)=O)C1 ZINC001424227796 890728205 /nfs/dbraw/zinc/72/82/05/890728205.db2.gz JBZRDZGHKITIDB-SNVBAGLBSA-N 2 0 272.349 -1.760 20 0 CAADRP CNC(=O)C[NH2+][C@H](CO)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001425752514 890811288 /nfs/dbraw/zinc/81/12/88/890811288.db2.gz HOYQXWMWEAUHFW-OUAUKWLOSA-N 2 0 286.376 -1.861 20 0 CAADRP CNC(=O)C[NH2+][C@@H](CO)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001425752510 890811588 /nfs/dbraw/zinc/81/15/88/890811588.db2.gz HOYQXWMWEAUHFW-GMTAPVOTSA-N 2 0 286.376 -1.861 20 0 CAADRP C[N@H+](CC(=O)NC[C@@H](CO)[NH2+]CC(N)=O)C1CCC1 ZINC001425756350 890813824 /nfs/dbraw/zinc/81/38/24/890813824.db2.gz WSOVVJSALLNTLJ-VIFPVBQESA-N 2 0 272.349 -1.977 20 0 CAADRP C[NH+](C)CC1(C(=O)NC[C@@H](CO)[NH2+][C@H]2CCNC2=O)CC1 ZINC001425789052 890817888 /nfs/dbraw/zinc/81/78/88/890817888.db2.gz AMEVAZBYZLTZJE-QWRGUYRKSA-N 2 0 298.387 -1.717 20 0 CAADRP COC[C@H](O)C[NH2+][C@H](CO)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001425786048 890819575 /nfs/dbraw/zinc/81/95/75/890819575.db2.gz ARDDIJXTAAHXEI-QJPTWQEYSA-N 2 0 289.376 -1.845 20 0 CAADRP Cn1nccc1C[NH2+][C@H](CO)CNC(=O)CC[NH+](C)C ZINC001425802923 890823047 /nfs/dbraw/zinc/82/30/47/890823047.db2.gz HLJIEYMOQIYFBH-NSHDSACASA-N 2 0 283.376 -1.062 20 0 CAADRP CCC[N@H+](C)CC(=O)NC[C@@H](CO)[NH2+][C@H]1CCNC1=O ZINC001425840078 890827448 /nfs/dbraw/zinc/82/74/48/890827448.db2.gz MBUCMXOKNAOSFR-QWRGUYRKSA-N 2 0 286.376 -1.717 20 0 CAADRP CCC[N@H+](C)CC(=O)NC[C@@H](CO)[NH2+][C@@H]1CCNC1=O ZINC001425840086 890830019 /nfs/dbraw/zinc/83/00/19/890830019.db2.gz MBUCMXOKNAOSFR-WDEREUQCSA-N 2 0 286.376 -1.717 20 0 CAADRP C[C@@H](O)C[NH2+][C@H](CO)CNC(=O)C12CC[NH+](CC1)C2 ZINC001425830031 890830379 /nfs/dbraw/zinc/83/03/79/890830379.db2.gz IBMYKPOPWSFVJV-MNOVXSKESA-N 2 0 271.361 -1.470 20 0 CAADRP O=C(C[NH+]1CCCC1)NC[C@H](CO)[NH2+][C@@H]1CCCNC1=O ZINC001425844965 890833295 /nfs/dbraw/zinc/83/32/95/890833295.db2.gz VOGGPGFOGQTMEC-VXGBXAGGSA-N 2 0 298.387 -1.573 20 0 CAADRP O=C(C[NH+]1CCCC1)NC[C@@H](CO)[NH2+][C@H]1CCCNC1=O ZINC001425844961 890833973 /nfs/dbraw/zinc/83/39/73/890833973.db2.gz VOGGPGFOGQTMEC-RYUDHWBXSA-N 2 0 298.387 -1.573 20 0 CAADRP CC[NH+]1CCN(C2CN(c3nc(N)[nH+]c(N)n3)C2)CC1 ZINC001434447557 891118654 /nfs/dbraw/zinc/11/86/54/891118654.db2.gz DPTBWFKSVBLXIC-UHFFFAOYSA-N 2 0 278.364 -1.138 20 0 CAADRP C[NH+]1CCC(OCC(=O)N[C@H]2C[C@H]([NH2+]CC(N)=O)C2)CC1 ZINC001436913527 891158950 /nfs/dbraw/zinc/15/89/50/891158950.db2.gz PWGUXGYPSYFASS-XYPYZODXSA-N 2 0 298.387 -1.181 20 0 CAADRP C[C@H](CNC(=O)CC[NH+](C)C)[NH2+]CC(=O)NC(N)=O ZINC001437203281 891167719 /nfs/dbraw/zinc/16/77/19/891167719.db2.gz RLIAWGGVLKNEPB-MRVPVSSYSA-N 2 0 273.337 -1.773 20 0 CAADRP C[C@@H](CNC(=O)CC[NH+](C)C)[NH2+]CC(=O)NC(N)=O ZINC001437203294 891168662 /nfs/dbraw/zinc/16/86/62/891168662.db2.gz RLIAWGGVLKNEPB-QMMMGPOBSA-N 2 0 273.337 -1.773 20 0 CAADRP C[C@@H](CNC(=O)CC[NH+](C)C)[NH2+][C@@H](C)C(=O)NC(N)=O ZINC001437196921 891169100 /nfs/dbraw/zinc/16/91/00/891169100.db2.gz FYXBVJBTASRZFW-IUCAKERBSA-N 2 0 287.364 -1.384 20 0 CAADRP C[C@@H]([NH2+]CCN(C)C(=O)[C@H]1CC[N@H+](C)C1)C(=O)NC(N)=O ZINC001437851348 891196400 /nfs/dbraw/zinc/19/64/00/891196400.db2.gz XFVJOCFWRUHHBU-ZJUUUORDSA-N 2 0 299.375 -1.431 20 0 CAADRP C[C@@H]([NH2+]CCN(C)C(=O)[C@@H]1CC[N@H+](C)C1)C(=O)NC(N)=O ZINC001437851330 891197656 /nfs/dbraw/zinc/19/76/56/891197656.db2.gz XFVJOCFWRUHHBU-NXEZZACHSA-N 2 0 299.375 -1.431 20 0 CAADRP C[C@H]([NH2+]CCN(C)C(=O)[C@@H]1CC[N@H+](C)C1)C(=O)NC(N)=O ZINC001437851343 891197738 /nfs/dbraw/zinc/19/77/38/891197738.db2.gz XFVJOCFWRUHHBU-VHSXEESVSA-N 2 0 299.375 -1.431 20 0 CAADRP CN(CCN(C)C(=O)CCN1CCOCC1)CC(N)=O ZINC001438923472 891235896 /nfs/dbraw/zinc/23/58/96/891235896.db2.gz SXZBUVSHHJXCNT-UHFFFAOYSA-N 2 0 286.376 -1.416 20 0 CAADRP C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](O)C[NH2+]CC(=O)NC1CC1 ZINC001438986949 891253034 /nfs/dbraw/zinc/25/30/34/891253034.db2.gz UEWAKWVGFJDEGQ-RYUDHWBXSA-N 2 0 298.387 -1.574 20 0 CAADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](O)C[NH2+]CC(N)=O ZINC001438996516 891258602 /nfs/dbraw/zinc/25/86/02/891258602.db2.gz PNVPDSOQRMEJBK-QWRGUYRKSA-N 2 0 286.376 -1.589 20 0 CAADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@H](O)C[NH2+]CC(N)=O ZINC001438996515 891261428 /nfs/dbraw/zinc/26/14/28/891261428.db2.gz PNVPDSOQRMEJBK-MNOVXSKESA-N 2 0 286.376 -1.589 20 0 CAADRP CC(C)[N@H+](C)CC(=O)NC[C@H](O)C[NH2+][C@@H](C)C(N)=O ZINC001439061400 891278617 /nfs/dbraw/zinc/27/86/17/891278617.db2.gz UZPGNIYJMMLCTR-VHSXEESVSA-N 2 0 274.365 -1.733 20 0 CAADRP CC(C)[N@H+](C)CC(=O)NC[C@@H](O)C[NH2+][C@H](C)C(N)=O ZINC001439061402 891279661 /nfs/dbraw/zinc/27/96/61/891279661.db2.gz UZPGNIYJMMLCTR-ZJUUUORDSA-N 2 0 274.365 -1.733 20 0 CAADRP C[C@H](C[NH2+]CC(=O)NC(N)=O)NC(=O)C[NH+]1CCCC1 ZINC001439179801 891286503 /nfs/dbraw/zinc/28/65/03/891286503.db2.gz SEAXWPVNYAHSEN-SECBINFHSA-N 2 0 285.348 -1.629 20 0 CAADRP CCC[N@H+](C)CC(=O)N[C@H](C)C[NH2+]CC(=O)NC(N)=O ZINC001439177331 891286823 /nfs/dbraw/zinc/28/68/23/891286823.db2.gz XACPDSYBDJLYML-SECBINFHSA-N 2 0 287.364 -1.383 20 0 CAADRP C[NH+](C)CCC(=O)NC[C@]1(O)CC[N@H+](CCCO)C1 ZINC001440009424 891343798 /nfs/dbraw/zinc/34/37/98/891343798.db2.gz KZKBTLCSMCKDMT-CYBMUJFWSA-N 2 0 273.377 -1.127 20 0 CAADRP C[N@@H+]1CC[C@@H](C(=O)N[C@@]2(CO)CCC[NH+](CCO)C2)C1 ZINC001440186168 891355261 /nfs/dbraw/zinc/35/52/61/891355261.db2.gz BBHNQSQBURLUQG-OCCSQVGLSA-N 2 0 285.388 -1.127 20 0 CAADRP C[NH+](C)CCC(=O)N(CCO)CC[NH2+][C@H]1CCNC1=O ZINC001440210682 891362719 /nfs/dbraw/zinc/36/27/19/891362719.db2.gz XQBIQNYNBDARLI-NSHDSACASA-N 2 0 286.376 -1.763 20 0 CAADRP C[C@H]([NH2+]CCN(CCO)C(=O)C12CC[NH+](CC1)C2)C(N)=O ZINC001440204869 891362856 /nfs/dbraw/zinc/36/28/56/891362856.db2.gz JNHGXHDAYQFYKO-NSHDSACASA-N 2 0 298.387 -1.634 20 0 CAADRP C[N@@H+]1CC[C@@H](CC(=O)N2CCO[C@H](C[NH2+]CC(N)=O)C2)C1 ZINC001440378731 891371152 /nfs/dbraw/zinc/37/11/52/891371152.db2.gz VAHPJYFJRAPBIW-NWDGAFQWSA-N 2 0 298.387 -1.370 20 0 CAADRP C[N@@H+]1CC[C@H](C(=O)N2CCC[C@](CO)([NH2+]CC(N)=O)C2)C1 ZINC001440554588 891374803 /nfs/dbraw/zinc/37/48/03/891374803.db2.gz NEEMZRKFAJMHDR-FZMZJTMJSA-N 2 0 298.387 -1.634 20 0 CAADRP C[NH+](C)CCC(=O)NCCN1CC[NH+](CCO)CC1 ZINC001441070511 891399283 /nfs/dbraw/zinc/39/92/83/891399283.db2.gz OKCIEWZJYVAVLX-UHFFFAOYSA-N 2 0 272.393 -1.336 20 0 CAADRP C[C@H]([NH2+]CC(N)=O)[C@H]1CN(C(=O)C[NH+]2CCCC2)CCO1 ZINC001441330423 891407609 /nfs/dbraw/zinc/40/76/09/891407609.db2.gz OCTMINICCIDUFH-NWDGAFQWSA-N 2 0 298.387 -1.227 20 0 CAADRP C[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)CC[NH+](C)C)C1)C(=O)NC(N)=O ZINC001441508483 891416529 /nfs/dbraw/zinc/41/65/29/891416529.db2.gz UXOHRLFFHJNDSM-BBBLOLIVSA-N 2 0 299.375 -1.242 20 0 CAADRP C[C@@H](CN(C)C(=O)[C@H]1CC[N@H+](C)C1)[NH2+]CC(=O)NC(N)=O ZINC001441661072 891423951 /nfs/dbraw/zinc/42/39/51/891423951.db2.gz SKCKUPYARDICSN-UWVGGRQHSA-N 2 0 299.375 -1.431 20 0 CAADRP Cn1cncc1C[NH2+][C@@H](CO)CNC(=O)CC[NH+](C)C ZINC001441746751 891443465 /nfs/dbraw/zinc/44/34/65/891443465.db2.gz POASSMIWQOYJDI-LLVKDONJSA-N 2 0 283.376 -1.062 20 0 CAADRP C[NH+](C)CCC(=O)NC[C@@H](CO)[NH2+]CC(=O)NC(N)=O ZINC001441751739 891444180 /nfs/dbraw/zinc/44/41/80/891444180.db2.gz UXTISJUKINEUOL-QMMMGPOBSA-N 2 0 289.336 -2.800 20 0 CAADRP CNC(=O)C[NH2+][C@H](CO)CNC(=O)C12CC[NH+](CC1)C2 ZINC001441781586 891450929 /nfs/dbraw/zinc/45/09/29/891450929.db2.gz FWNNGMSSYWTQSU-JTQLQIEISA-N 2 0 284.360 -2.105 20 0 CAADRP CC[C@H]([NH2+][C@H](CO)CNC(=O)C12CC[NH+](CC1)C2)C(N)=O ZINC001441797804 891454133 /nfs/dbraw/zinc/45/41/33/891454133.db2.gz WWRKSZKCWCIPSX-QWRGUYRKSA-N 2 0 298.387 -1.587 20 0 CAADRP CNC(=O)NC(=O)C[NH2+][C@@H](C)CNC(=O)CC[NH+](C)C ZINC001441949744 891466019 /nfs/dbraw/zinc/46/60/19/891466019.db2.gz ZLQIXPUZCCEYLZ-VIFPVBQESA-N 2 0 287.364 -1.512 20 0 CAADRP C[C@@H](CNC(=O)C1(C[NH+](C)C)CC1)[NH2+]CC(=O)NC(N)=O ZINC001441951935 891466130 /nfs/dbraw/zinc/46/61/30/891466130.db2.gz YWNZQUQNSBVXQC-VIFPVBQESA-N 2 0 299.375 -1.383 20 0 CAADRP C[C@@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)[NH2+]CC(=O)NC(N)=O ZINC001441942482 891466197 /nfs/dbraw/zinc/46/61/97/891466197.db2.gz CJUROZJICNZOMF-UWVGGRQHSA-N 2 0 299.375 -1.383 20 0 CAADRP C[C@H](CNC(=O)C1CC[NH+](C)CC1)[NH2+]CC(=O)NC(N)=O ZINC001441941880 891466223 /nfs/dbraw/zinc/46/62/23/891466223.db2.gz QPUGJBWACLLEJE-SECBINFHSA-N 2 0 299.375 -1.383 20 0 CAADRP CN(C[C@@H](O)C[N@H+](C)CCO)C(=O)[C@@H]1CCC[NH+]1C ZINC001442046758 891477226 /nfs/dbraw/zinc/47/72/26/891477226.db2.gz DNVPJHKUCHUBOU-RYUDHWBXSA-N 2 0 273.377 -1.176 20 0 CAADRP CNC(=O)NC(=O)C[NH2+][C@@H](C)CNC(=O)C[NH+]1CCCC1 ZINC001442054599 891478209 /nfs/dbraw/zinc/47/82/09/891478209.db2.gz SDFUMESJGPBWGG-JTQLQIEISA-N 2 0 299.375 -1.368 20 0 CAADRP C[C@H](CNC(=O)C[NH+]1CCCC1)C[NH2+]CC(=O)NC(N)=O ZINC001444400197 891572732 /nfs/dbraw/zinc/57/27/32/891572732.db2.gz AVUDWKNQVLJWGA-JTQLQIEISA-N 2 0 299.375 -1.381 20 0 CAADRP NC(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001445176051 891613302 /nfs/dbraw/zinc/61/33/02/891613302.db2.gz GSNSJGAUBBGXKL-GHMZBOCLSA-N 2 0 284.360 -2.120 20 0 CAADRP CC[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc1cnnn1C)[NH+](C)C ZINC001445194875 891617742 /nfs/dbraw/zinc/61/77/42/891617742.db2.gz AHBFWWCEVMRGGD-NWDGAFQWSA-N 2 0 298.391 -1.278 20 0 CAADRP C[NH+](C)CCC(=O)NC[C@@H](O)C[NH2+][C@@H]1CCCNC1=O ZINC001445225004 891621861 /nfs/dbraw/zinc/62/18/61/891621861.db2.gz LWQLKSNZKLJYEO-WDEREUQCSA-N 2 0 286.376 -1.717 20 0 CAADRP C[C@H](O)C[NH2+]C[C@H](O)CNC(=O)C12CC[NH+](CC1)C2 ZINC001445265820 891623571 /nfs/dbraw/zinc/62/35/71/891623571.db2.gz WJOVNIITTXPUAB-QWRGUYRKSA-N 2 0 271.361 -1.470 20 0 CAADRP CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001445273800 891624452 /nfs/dbraw/zinc/62/44/52/891624452.db2.gz RELCYWSBIKYRIR-GHMZBOCLSA-N 2 0 286.376 -1.859 20 0 CAADRP C[C@H](O)C[NH2+]C[C@@H](O)CNC(=O)C12CC[NH+](CC1)C2 ZINC001445265821 891625014 /nfs/dbraw/zinc/62/50/14/891625014.db2.gz WJOVNIITTXPUAB-WDEREUQCSA-N 2 0 271.361 -1.470 20 0 CAADRP CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001445273807 891625585 /nfs/dbraw/zinc/62/55/85/891625585.db2.gz RELCYWSBIKYRIR-QWRGUYRKSA-N 2 0 286.376 -1.859 20 0 CAADRP C[C@H](C[NH2+]CC(=O)NC(N)=O)NC(=O)CC[NH+](C)C ZINC001445431843 891636086 /nfs/dbraw/zinc/63/60/86/891636086.db2.gz CBEOKUGSLGSLHN-MRVPVSSYSA-N 2 0 273.337 -1.773 20 0 CAADRP C[C@@H]1[C@H](C(=O)NC[C@]2(O)CC[NH+](CCO)C2)CC[N@@H+]1C ZINC001446770742 891691296 /nfs/dbraw/zinc/69/12/96/891691296.db2.gz SGEJJTRZYGSXAR-YRGRVCCFSA-N 2 0 285.388 -1.128 20 0 CAADRP C[N@H+](CC(=O)N1CCO[C@H](C[NH2+]CC(N)=O)C1)C1CCC1 ZINC001447288755 891722103 /nfs/dbraw/zinc/72/21/03/891722103.db2.gz RFYPSZYIHMPTFK-GFCCVEGCSA-N 2 0 298.387 -1.227 20 0 CAADRP C[NH+](C)CCC(=O)N1CCC[C@](CO)([NH2+]CC(N)=O)C1 ZINC001447452576 891729375 /nfs/dbraw/zinc/72/93/75/891729375.db2.gz YMHOKYFDKQBHNB-ZDUSSCGKSA-N 2 0 286.376 -1.634 20 0 CAADRP C[N@@H+]1CCC[C@H]1CCC(=O)NC[C@H](CO)[NH2+]CC(N)=O ZINC001448860869 891794893 /nfs/dbraw/zinc/79/48/93/891794893.db2.gz FAQNBYAZXZSQGM-MNOVXSKESA-N 2 0 286.376 -1.587 20 0 CAADRP C[C@@H]([NH2+][C@@H](CO)CNC(=O)C1(C[NH+](C)C)CC1)C(N)=O ZINC001448894832 891808614 /nfs/dbraw/zinc/80/86/14/891808614.db2.gz LNGINWVXFBJWMW-NXEZZACHSA-N 2 0 286.376 -1.731 20 0 CAADRP CC1CC[NH+](CC(=O)NC[C@H](CO)[NH2+]CCO)CC1 ZINC001448919197 891810966 /nfs/dbraw/zinc/81/09/66/891810966.db2.gz IZODMUOUEQKCMK-GFCCVEGCSA-N 2 0 273.377 -1.223 20 0 CAADRP CNC(=O)[C@H](C)[NH2+][C@@H](CO)CNC(=O)C12CC[NH+](CC1)C2 ZINC001448937764 891815526 /nfs/dbraw/zinc/81/55/26/891815526.db2.gz BHNSJLSMOPSVMD-WDEREUQCSA-N 2 0 298.387 -1.717 20 0 CAADRP C[N@@H+]1CC[C@H](C(=O)NC[C@H](CO)[NH2+]CCn2cccn2)C1 ZINC001448949470 891816290 /nfs/dbraw/zinc/81/62/90/891816290.db2.gz GBDQIIAOUDBCOP-QWHCGFSZSA-N 2 0 295.387 -1.099 20 0 CAADRP CNC(=O)[C@@H](C)[NH2+][C@H](CO)CNC(=O)C12CC[NH+](CC1)C2 ZINC001448937760 891816935 /nfs/dbraw/zinc/81/69/35/891816935.db2.gz BHNSJLSMOPSVMD-MNOVXSKESA-N 2 0 298.387 -1.717 20 0 CAADRP C[N@@H+]1CC[C@@H](C(=O)NC[C@@H](CO)[NH2+]CCn2cccn2)C1 ZINC001448949468 891817326 /nfs/dbraw/zinc/81/73/26/891817326.db2.gz GBDQIIAOUDBCOP-OLZOCXBDSA-N 2 0 295.387 -1.099 20 0 CAADRP CN(C[C@@H](O)C[NH2+]CC(N)=O)C(=O)C1CC[NH+](C)CC1 ZINC001449144403 891832386 /nfs/dbraw/zinc/83/23/86/891832386.db2.gz HEJCIKVAYYQYCS-NSHDSACASA-N 2 0 286.376 -1.778 20 0 CAADRP C[C@H]1CC[N@H+](CC(=O)N(C)C[C@@H](O)C[NH2+]CC(N)=O)C1 ZINC001449163370 891837599 /nfs/dbraw/zinc/83/75/99/891837599.db2.gz UNHZZTSHSDRMSW-QWRGUYRKSA-N 2 0 286.376 -1.778 20 0 CAADRP CC(C)[N@H+](C)CC(=O)N(C)C[C@@H](O)C[NH2+][C@H](C)C(N)=O ZINC001449201956 891841269 /nfs/dbraw/zinc/84/12/69/891841269.db2.gz ZMOMGBLWKXTBFE-MNOVXSKESA-N 2 0 288.392 -1.391 20 0 CAADRP CN(C[C@@H](O)C[N@H+](C)CCO)C(=O)[C@H]1CC[NH+](C)C1 ZINC001449249318 891845095 /nfs/dbraw/zinc/84/50/95/891845095.db2.gz UUOPROBAVZCHFP-RYUDHWBXSA-N 2 0 273.377 -1.319 20 0 CAADRP O=C(NCC[NH+]1CCC(O)CC1)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC001472563004 892404466 /nfs/dbraw/zinc/40/44/66/892404466.db2.gz AOQFUKYPOZCXJL-AWEZNQCLSA-N 2 0 296.415 -1.051 20 0 CAADRP CC[C@H](C(=O)N[C@H]1C[C@H]([NH2+]CC(=O)NC(N)=O)C1)[NH+](C)C ZINC001480144362 892501395 /nfs/dbraw/zinc/50/13/95/892501395.db2.gz HFHRRBWEDDBJJO-OPRDCNLKSA-N 2 0 299.375 -1.242 20 0 CAADRP C[N@@H+]1CC[C@H](C(=O)N[C@H]2C[C@H]([NH2+]CC(=O)NC(N)=O)C2)C1 ZINC001480170870 892505560 /nfs/dbraw/zinc/50/55/60/892505560.db2.gz GUUXTKHBMRDXAH-GUBZILKMSA-N 2 0 297.359 -1.630 20 0 CAADRP C[N@@H+]1CC[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]CC(=O)NC(N)=O)C2)C1 ZINC001480236925 892506807 /nfs/dbraw/zinc/50/68/07/892506807.db2.gz GUUXTKHBMRDXAH-BBBLOLIVSA-N 2 0 297.359 -1.630 20 0 CAADRP C[N@@H+]1CC[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]CC(=O)NC(N)=O)C2)C1 ZINC001480236926 892508735 /nfs/dbraw/zinc/50/87/35/892508735.db2.gz GUUXTKHBMRDXAH-LPEHRKFASA-N 2 0 297.359 -1.630 20 0 CAADRP CNC(=O)NC(=O)C[NH2+][C@@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001480436842 892515835 /nfs/dbraw/zinc/51/58/35/892515835.db2.gz YNSNQLZQMHBVRK-UWVGGRQHSA-N 2 0 299.375 -1.370 20 0 CAADRP C[C@H](CNC(=O)c1cnn(CC[NH+](C)C)c1)[NH2+]CC(N)=O ZINC001480551980 892528674 /nfs/dbraw/zinc/52/86/74/892528674.db2.gz AUULUXRKNZYXIV-SNVBAGLBSA-N 2 0 296.375 -1.362 20 0 CAADRP C[C@@H](O)C[NH2+]C[C@H](O)CNC(=O)C[N@H+](C)C1CCC1 ZINC001482737490 892679693 /nfs/dbraw/zinc/67/96/93/892679693.db2.gz NTNCEWPJMZAWDT-PWSUYJOCSA-N 2 0 273.377 -1.082 20 0 CAADRP C[C@H](O)C[NH2+]C[C@@H](O)CNC(=O)C[N@H+](C)C1CCC1 ZINC001482737488 892679824 /nfs/dbraw/zinc/67/98/24/892679824.db2.gz NTNCEWPJMZAWDT-CMPLNLGQSA-N 2 0 273.377 -1.082 20 0 CAADRP C[NH+](C)CC1(C(=O)NC[C@@H](O)C[NH2+][C@@H]2CCNC2=O)CC1 ZINC001482763503 892692592 /nfs/dbraw/zinc/69/25/92/892692592.db2.gz VOKYZWOHXGRVQA-WDEREUQCSA-N 2 0 298.387 -1.717 20 0 CAADRP C[C@H]1CC[N@H+](CC(=O)NC[C@H](O)C[NH2+]CC(N)=O)C1 ZINC001482767484 892696056 /nfs/dbraw/zinc/69/60/56/892696056.db2.gz NNAUXWQSHDOCJA-VHSXEESVSA-N 2 0 272.349 -2.120 20 0 CAADRP C[NH+]1CCC(CC(=O)NC[C@H](O)C[NH2+]CC(N)=O)CC1 ZINC001482774638 892698899 /nfs/dbraw/zinc/69/88/99/892698899.db2.gz LXZZRLBVSNORFU-LLVKDONJSA-N 2 0 286.376 -1.730 20 0 CAADRP C[C@@H](O)C[NH2+]C[C@H](O)CNC(=O)C[NH+]1CCCC1 ZINC001482791677 892705281 /nfs/dbraw/zinc/70/52/81/892705281.db2.gz DOTZJZORWSCSBY-MNOVXSKESA-N 2 0 259.350 -1.470 20 0 CAADRP Cn1ccnc1C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001482790449 892705883 /nfs/dbraw/zinc/70/58/83/892705883.db2.gz CHPTUAOSNKUZAF-VXGBXAGGSA-N 2 0 295.387 -1.062 20 0 CAADRP C[C@@H](O)C[NH2+]C[C@@H](O)CNC(=O)C[NH+]1CCCC1 ZINC001482791676 892706440 /nfs/dbraw/zinc/70/64/40/892706440.db2.gz DOTZJZORWSCSBY-GHMZBOCLSA-N 2 0 259.350 -1.470 20 0 CAADRP C[C@@H](C[NH+]1CCOCC1)C(=O)NC[C@@H](O)C[NH2+]CCF ZINC001482794752 892709547 /nfs/dbraw/zinc/70/95/47/892709547.db2.gz ZNXRXLWEYDLZSC-RYUDHWBXSA-N 2 0 291.367 -1.009 20 0 CAADRP CNC(=O)NC(=O)C[NH2+]C[C@@H](C)NC(=O)CC[NH+](C)C ZINC001483162997 892736533 /nfs/dbraw/zinc/73/65/33/892736533.db2.gz SZUBPKBXSFSZSQ-SECBINFHSA-N 2 0 287.364 -1.512 20 0 CAADRP C[C@H](C[NH2+]CCN1C(=O)CNC1=O)NC(=O)CC[NH+](C)C ZINC001483162686 892737762 /nfs/dbraw/zinc/73/77/62/892737762.db2.gz KTDXVAOXWFOTSS-SNVBAGLBSA-N 2 0 299.375 -1.416 20 0 CAADRP C[C@H](C[NH2+][C@H]1CCC(=O)NC1=O)NC(=O)C[NH+]1CCCC1 ZINC001483192732 892740442 /nfs/dbraw/zinc/74/04/42/892740442.db2.gz DFAVBFDFYKQGLW-MNOVXSKESA-N 2 0 296.371 -1.018 20 0 CAADRP CNC(=O)C[NH2+]C[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001483214339 892743908 /nfs/dbraw/zinc/74/39/08/892743908.db2.gz JFAPPPJGGBBFPM-UWVGGRQHSA-N 2 0 256.350 -1.079 20 0 CAADRP C[N@@H+]1CCCC[C@@H]1C(=O)N(CCO)CC[NH2+]CC(N)=O ZINC001484487464 892867146 /nfs/dbraw/zinc/86/71/46/892867146.db2.gz LIUVBVDLGJZUHJ-LLVKDONJSA-N 2 0 286.376 -1.634 20 0 CAADRP O=C([C@@H]1C[NH+]2CCC1CC2)N(CCO)CC[NH2+]CCO ZINC001484483744 892867804 /nfs/dbraw/zinc/86/78/04/892867804.db2.gz ZGCNBOIYVZKRGA-CYBMUJFWSA-N 2 0 285.388 -1.269 20 0 CAADRP O=C(C[NH+]1CCCC1)N(CCO)CC[NH2+][C@H]1CCNC1=O ZINC001484501141 892871423 /nfs/dbraw/zinc/87/14/23/892871423.db2.gz MNRLGUJPBVNZLE-LBPRGKRZSA-N 2 0 298.387 -1.619 20 0 CAADRP C[NH+](C)CCC(=O)N1CCC[C@@](CO)([NH2+]CCO)C1 ZINC001484847837 892893372 /nfs/dbraw/zinc/89/33/72/892893372.db2.gz RREPLFLDDFUWHK-CYBMUJFWSA-N 2 0 273.377 -1.127 20 0 CAADRP C[NH+](C)CCC(=O)N1CCC[C@](CO)([NH2+]CCO)C1 ZINC001484847839 892893814 /nfs/dbraw/zinc/89/38/14/892893814.db2.gz RREPLFLDDFUWHK-ZDUSSCGKSA-N 2 0 273.377 -1.127 20 0 CAADRP C[N@@H+]1CC[C@H](C(=O)N2CCC[C@@](CO)([NH2+]CCO)C2)C1 ZINC001484855127 892894538 /nfs/dbraw/zinc/89/45/38/892894538.db2.gz YSXBGMBGJRWLEO-GXTWGEPZSA-N 2 0 285.388 -1.127 20 0 CAADRP CN(C)C(=O)C[NH2+][C@H](CO)CNC(=O)CC[NH+](C)C ZINC001486031609 892993573 /nfs/dbraw/zinc/99/35/73/892993573.db2.gz UOTBUMISLREIJI-JTQLQIEISA-N 2 0 274.365 -1.907 20 0 CAADRP C[N@@H+]1CC[C@@H](CC(=O)NC[C@@H](CO)[NH2+]CC(N)=O)C1 ZINC001486052026 893003128 /nfs/dbraw/zinc/00/31/28/893003128.db2.gz BBNVPWFTBKMRJT-UWVGGRQHSA-N 2 0 272.349 -2.120 20 0 CAADRP O=C(NC[C@@H](CO)[NH2+][C@H]1CCNC1=O)C12CC[NH+](CC1)C2 ZINC001486052291 893003268 /nfs/dbraw/zinc/00/32/68/893003268.db2.gz FCIAITKTMYRLNY-QWRGUYRKSA-N 2 0 296.371 -1.963 20 0 CAADRP CNC(=O)[C@H](C)[NH2+]C[C@@H](O)CN(C)C(=O)CC[NH+](C)C ZINC001486298535 893041360 /nfs/dbraw/zinc/04/13/60/893041360.db2.gz QSRUTTSLFZXQNF-WDEREUQCSA-N 2 0 288.392 -1.519 20 0 CAADRP CNC(=O)[C@H](C)[NH2+]C[C@H](O)CN(C)C(=O)CC[NH+](C)C ZINC001486298534 893043385 /nfs/dbraw/zinc/04/33/85/893043385.db2.gz QSRUTTSLFZXQNF-QWRGUYRKSA-N 2 0 288.392 -1.519 20 0 CAADRP CC(C)[N@H+](C)CC(=O)N(C)C[C@H](O)C[NH2+]CCO ZINC001486317386 893052979 /nfs/dbraw/zinc/05/29/79/893052979.db2.gz HFDKJUJZEDIWSQ-LLVKDONJSA-N 2 0 261.366 -1.272 20 0 CAADRP CN(CCOCC[NH2+]CCO)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001486499121 893071972 /nfs/dbraw/zinc/07/19/72/893071972.db2.gz LVVLHVQYBPFADG-GFCCVEGCSA-N 2 0 273.377 -1.005 20 0 CAADRP CN(CCOCC[NH2+]CC(N)=O)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001486498799 893075878 /nfs/dbraw/zinc/07/58/78/893075878.db2.gz GQCUCDZTTNIPAM-LLVKDONJSA-N 2 0 286.376 -1.512 20 0 CAADRP C[N@H+](CCCNC(=O)[C@H]1CC[NH+](C)C1)CC(N)=O ZINC001490280264 893195763 /nfs/dbraw/zinc/19/57/63/893195763.db2.gz WBMPJEXVTMWHHE-JTQLQIEISA-N 2 0 256.350 -1.139 20 0 CAADRP C[C@H](CNC(=O)C12CC[NH+](CC1)C2)[NH2+]CC(=O)NC(N)=O ZINC001491643386 893302454 /nfs/dbraw/zinc/30/24/54/893302454.db2.gz ZCBPLVNKNYABBL-SECBINFHSA-N 2 0 297.359 -1.629 20 0 CAADRP C[C@H](CNC(=O)C[NH+]1CCCC1)[NH2+][C@H]1CCC(=O)NC1=O ZINC001491676191 893307013 /nfs/dbraw/zinc/30/70/13/893307013.db2.gz ZCHNXQFTVPMOQB-MNOVXSKESA-N 2 0 296.371 -1.018 20 0 CAADRP C[C@@H](CNC(=O)C[NH+]1CCCC1)[NH2+][C@H]1CCC(=O)NC1=O ZINC001491676192 893307182 /nfs/dbraw/zinc/30/71/82/893307182.db2.gz ZCHNXQFTVPMOQB-QWRGUYRKSA-N 2 0 296.371 -1.018 20 0 CAADRP C[N@@H+]1CC[C@@H](C(=O)N2CC[C@@H](C[NH2+]CC(N)=O)C2)C1 ZINC001491855799 893313930 /nfs/dbraw/zinc/31/39/30/893313930.db2.gz HNVDWIXXEZGAGE-WDEREUQCSA-N 2 0 268.361 -1.139 20 0 CAADRP CN(CC[NH2+][C@H]1CCC(=O)NC1=O)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001493499041 893399395 /nfs/dbraw/zinc/39/93/95/893399395.db2.gz GGHOULRSJSIMDG-QWRGUYRKSA-N 2 0 296.371 -1.066 20 0 CAADRP CN(CC[NH2+][C@@H]1CCC(=O)NC1=O)C(=O)[C@H]1CCC[N@@H+]1C ZINC001493499034 893400298 /nfs/dbraw/zinc/40/02/98/893400298.db2.gz GGHOULRSJSIMDG-GHMZBOCLSA-N 2 0 296.371 -1.066 20 0 CAADRP CN(CC[NH2+]CCOCCO)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001493794718 893418203 /nfs/dbraw/zinc/41/82/03/893418203.db2.gz YYBKOIHTHRETPW-GFCCVEGCSA-N 2 0 273.377 -1.005 20 0 CAADRP C[C@H](CNC(=O)CC[NH+](C)C)C[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001495732150 893487838 /nfs/dbraw/zinc/48/78/38/893487838.db2.gz WTYXIRBQXVVRGG-JTQLQIEISA-N 2 0 298.391 -1.098 20 0 CAADRP C[C@H](C[NH2+]CC(N)=O)N(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001496229457 893511412 /nfs/dbraw/zinc/51/14/12/893511412.db2.gz IEGWRTPXXVOSMU-NXEZZACHSA-N 2 0 256.350 -1.140 20 0 CAADRP C[C@H](C[NH2+]CC(N)=O)N(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001496229460 893514679 /nfs/dbraw/zinc/51/46/79/893514679.db2.gz IEGWRTPXXVOSMU-ZJUUUORDSA-N 2 0 256.350 -1.140 20 0 CAADRP CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001496956023 893559314 /nfs/dbraw/zinc/55/93/14/893559314.db2.gz XHAZRBPGXNLIOP-QWRGUYRKSA-N 2 0 286.376 -1.717 20 0 CAADRP C[C@H](O)C[NH2+]C[C@H](O)CNC(=O)C1CC[NH+](C)CC1 ZINC001497045541 893591149 /nfs/dbraw/zinc/59/11/49/893591149.db2.gz FSSHYLKXSFOUPE-JQWIXIFHSA-N 2 0 273.377 -1.224 20 0 CAADRP CNC(=O)C[NH2+]C[C@@H](O)CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001497091010 893602347 /nfs/dbraw/zinc/60/23/47/893602347.db2.gz CXCOZJIHBFCIRB-GHMZBOCLSA-N 2 0 286.376 -1.859 20 0 CAADRP CNC(=O)[C@H](C)[NH2+]C[C@H](O)CNC(=O)C12CC[NH+](CC1)C2 ZINC001497092326 893604132 /nfs/dbraw/zinc/60/41/32/893604132.db2.gz QLYIWMWZUQXOEI-QWRGUYRKSA-N 2 0 298.387 -1.717 20 0 CAADRP O=C(NC[C@H](O)C[NH2+]CCO)C12CC[NH+](CC1)C2 ZINC001497092679 893604587 /nfs/dbraw/zinc/60/45/87/893604587.db2.gz UIEFICMEKUIHRY-SNVBAGLBSA-N 2 0 257.334 -1.859 20 0 CAADRP O=C(NC[C@@H](O)C[NH2+]CCO)C12CC[NH+](CC1)C2 ZINC001497092678 893604847 /nfs/dbraw/zinc/60/48/47/893604847.db2.gz UIEFICMEKUIHRY-JTQLQIEISA-N 2 0 257.334 -1.859 20 0 CAADRP CNC(=O)[C@@H](C)[NH2+]C[C@H](O)CNC(=O)C12CC[NH+](CC1)C2 ZINC001497092325 893606193 /nfs/dbraw/zinc/60/61/93/893606193.db2.gz QLYIWMWZUQXOEI-MNOVXSKESA-N 2 0 298.387 -1.717 20 0 CAADRP C[N@@H+]1CCC[C@@H]1C(=O)NC/C=C/C[NH2+]CC(N)=O ZINC001497650618 893626642 /nfs/dbraw/zinc/62/66/42/893626642.db2.gz QVMLYFFUDRBZJP-VMZHVLLKSA-N 2 0 254.334 -1.172 20 0 CAADRP C[C@H](C[NH2+]CC(N)=O)NC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001497817914 893637379 /nfs/dbraw/zinc/63/73/79/893637379.db2.gz MAEFGFQFZPKAGH-SNVBAGLBSA-N 2 0 296.375 -1.362 20 0 CAADRP C[C@H](C[NH2+][C@H](C)C(=O)NC(N)=O)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001497877374 893639638 /nfs/dbraw/zinc/63/96/38/893639638.db2.gz NGGQUHRFQILHOZ-OPRDCNLKSA-N 2 0 299.375 -1.242 20 0 CAADRP C[C@@H](C[NH2+]CC(=O)NC(N)=O)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001498190323 893663632 /nfs/dbraw/zinc/66/36/32/893663632.db2.gz NNTQZDJXURMTQP-IUCAKERBSA-N 2 0 285.348 -1.773 20 0 CAADRP C[N@@H+]1CC[C@@H](C(=O)N[C@@H](C[NH2+]CC(N)=O)C2CC2)C1 ZINC001498860597 893693636 /nfs/dbraw/zinc/69/36/36/893693636.db2.gz AKYUKXCSFWRJHH-MNOVXSKESA-N 2 0 268.361 -1.092 20 0 CAADRP C[N@@H+]1CC[C@@H](C(=O)N[C@H](C[NH2+]CC(N)=O)C2CC2)C1 ZINC001498860590 893694131 /nfs/dbraw/zinc/69/41/31/893694131.db2.gz AKYUKXCSFWRJHH-GHMZBOCLSA-N 2 0 268.361 -1.092 20 0 CAADRP C[N@@H+]1CC[C@@H](CC(=O)NC[C@]2(O)CC[NH+](CCO)C2)C1 ZINC001500751663 893750964 /nfs/dbraw/zinc/75/09/64/893750964.db2.gz ZBABAKMZILISJM-GXTWGEPZSA-N 2 0 285.388 -1.127 20 0 CAADRP C[N@@H+]1CC[C@@H](CC(=O)NC[C@@]2(O)CC[NH+](CCO)C2)C1 ZINC001500751664 893752315 /nfs/dbraw/zinc/75/23/15/893752315.db2.gz ZBABAKMZILISJM-JSGCOSHPSA-N 2 0 285.388 -1.127 20 0 CAADRP C[NH+](C)CC1(C(=O)NC[C@@]2(O)CC[N@H+](CCO)C2)CC1 ZINC001500718811 893753500 /nfs/dbraw/zinc/75/35/00/893753500.db2.gz ZCWZOFUKOPUFJT-AWEZNQCLSA-N 2 0 285.388 -1.127 20 0 CAADRP CC(C)[N@H+](C)CC(=O)NC[C@@]1(O)CC[NH+](CCO)C1 ZINC001500765449 893756496 /nfs/dbraw/zinc/75/64/96/893756496.db2.gz ADUOAXSUXXVMPQ-ZDUSSCGKSA-N 2 0 273.377 -1.128 20 0 CAADRP C[NH+](C)CCC(=O)N[C@]1(CO)CCC[N@H+](CCO)C1 ZINC001501346210 893784559 /nfs/dbraw/zinc/78/45/59/893784559.db2.gz ZAISJYJYPRJQTB-CYBMUJFWSA-N 2 0 273.377 -1.127 20 0 CAADRP C[N@@H+]1CC[C@H](CC(=O)N(CCO)CC[NH2+]CC(N)=O)C1 ZINC001501506182 893811433 /nfs/dbraw/zinc/81/14/33/893811433.db2.gz ONQOBCCMHAMNDX-LLVKDONJSA-N 2 0 286.376 -1.776 20 0 CAADRP C[N@@H+]1CC[C@@H](C(=O)N(CCO)CC[NH2+][C@@H]2CCNC2=O)C1 ZINC001501511242 893814934 /nfs/dbraw/zinc/81/49/34/893814934.db2.gz HLHGDQYBZFELJT-VXGBXAGGSA-N 2 0 298.387 -1.763 20 0 CAADRP C[C@@H]([NH2+]C[C@@H]1CN(C(=O)C[NH+]2CCCC2)CCO1)C(N)=O ZINC001502091757 893841404 /nfs/dbraw/zinc/84/14/04/893841404.db2.gz AISZVXVRJGVBDP-VXGBXAGGSA-N 2 0 298.387 -1.227 20 0 CAADRP C[N@@H+]1CCC[C@H]1C(=O)NC1(C[NH2+]CC(N)=O)CCOCC1 ZINC001502615983 893853542 /nfs/dbraw/zinc/85/35/42/893853542.db2.gz IVAIUXDFQHQIKE-NSHDSACASA-N 2 0 298.387 -1.179 20 0 CAADRP C[C@@H](NC(=O)CC[NH+](C)C)[C@H](C)[NH2+]CC(=O)NC(N)=O ZINC001505685120 893889181 /nfs/dbraw/zinc/88/91/81/893889181.db2.gz FBEUMANYGRELOL-DTWKUNHWSA-N 2 0 287.364 -1.384 20 0 CAADRP C[C@H](NC(=O)CC[NH+](C)C)[C@H](C)[NH2+]CC(=O)NC(N)=O ZINC001505685121 893889609 /nfs/dbraw/zinc/88/96/09/893889609.db2.gz FBEUMANYGRELOL-IUCAKERBSA-N 2 0 287.364 -1.384 20 0 CAADRP C[C@H]([NH2+]CC(N)=O)[C@@H]1CN(C(=O)CC[NH+](C)C)CCO1 ZINC001506846808 893947711 /nfs/dbraw/zinc/94/77/11/893947711.db2.gz ZXGZJAJTBZNHJW-QWRGUYRKSA-N 2 0 286.376 -1.371 20 0 CAADRP C[C@H](CN(C)C(=O)C[NH+]1CCCC1)[NH2+]CC(=O)NC(N)=O ZINC001507154472 893959223 /nfs/dbraw/zinc/95/92/23/893959223.db2.gz NZZBCSMTOBELRY-SNVBAGLBSA-N 2 0 299.375 -1.286 20 0 CAADRP C[NH+](C)CCCC(=O)NC[C@H](CO)[NH2+][C@@H]1CCNC1=O ZINC001507229709 894011973 /nfs/dbraw/zinc/01/19/73/894011973.db2.gz QFVBXIRAOYWJGP-GHMZBOCLSA-N 2 0 286.376 -1.717 20 0 CAADRP CN1CC[C@H]([NH2+][C@@H](CO)CNC(=O)CC[NH+](C)C)C1=O ZINC001507232103 894012165 /nfs/dbraw/zinc/01/21/65/894012165.db2.gz LYHNELTZEUBAGP-MNOVXSKESA-N 2 0 286.376 -1.765 20 0 CAADRP CN(C)C(=O)C[NH2+][C@H](CO)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001507260778 894026841 /nfs/dbraw/zinc/02/68/41/894026841.db2.gz NPKHIUOPZCYGRK-QWRGUYRKSA-N 2 0 286.376 -1.907 20 0 CAADRP CN(C)C(=O)C[NH2+][C@@H](CO)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001507260775 894028328 /nfs/dbraw/zinc/02/83/28/894028328.db2.gz NPKHIUOPZCYGRK-GHMZBOCLSA-N 2 0 286.376 -1.907 20 0 CAADRP C[N@@H+]1CC[C@@H](C(=O)NC[C@H](CO)[NH2+]CCCO)C1 ZINC001507261748 894031712 /nfs/dbraw/zinc/03/17/12/894031712.db2.gz UNIZEGTUWJMSBO-GHMZBOCLSA-N 2 0 259.350 -1.613 20 0 CAADRP O=C(C[NH+]1CCCC1)NC[C@@H](CO)[NH2+][C@@H]1CCNC1=O ZINC001507262757 894032118 /nfs/dbraw/zinc/03/21/18/894032118.db2.gz ZSFQOBFUDMIBRN-WDEREUQCSA-N 2 0 284.360 -1.963 20 0 CAADRP C[N@@H+]1CC[C@@H](C(=O)NC[C@H](CO)[NH2+]CC(=O)N2CCC2)C1 ZINC001507262137 894032328 /nfs/dbraw/zinc/03/23/28/894032328.db2.gz VOXHWZNUIPCAAH-VXGBXAGGSA-N 2 0 298.387 -1.763 20 0 CAADRP C[N@@H+]1CC[C@@H](C(=O)NC[C@@H](CO)[NH2+]CC(=O)N2CCC2)C1 ZINC001507262120 894035019 /nfs/dbraw/zinc/03/50/19/894035019.db2.gz VOXHWZNUIPCAAH-NEPJUHHUSA-N 2 0 298.387 -1.763 20 0 CAADRP C[N@@H+]1CC[C@H](C(=O)NC[C@@H](CO)[NH2+]CCCO)C1 ZINC001507261750 894035565 /nfs/dbraw/zinc/03/55/65/894035565.db2.gz UNIZEGTUWJMSBO-QWRGUYRKSA-N 2 0 259.350 -1.613 20 0 CAADRP CNC(=O)C[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001507469766 894051692 /nfs/dbraw/zinc/05/16/92/894051692.db2.gz BUHNXBMYGACHBR-QWRGUYRKSA-N 2 0 286.376 -1.765 20 0 CAADRP CN(C[C@H](O)C[NH2+]CC(N)=O)C(=O)CC[NH+](C)C ZINC001507503257 894061761 /nfs/dbraw/zinc/06/17/61/894061761.db2.gz ZDYIQVMUASFYMI-SECBINFHSA-N 2 0 260.338 -2.168 20 0 CAADRP COCC[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001507560751 894066180 /nfs/dbraw/zinc/06/61/80/894066180.db2.gz APDVYJAOIVAVJY-NEPJUHHUSA-N 2 0 273.377 -1.007 20 0 CAADRP CN(C[C@@H](O)C[NH2+][C@@H]1CCNC1=O)C(=O)C[NH+]1CCCC1 ZINC001507560732 894068259 /nfs/dbraw/zinc/06/82/59/894068259.db2.gz ALEGYTQDBUYICL-NWDGAFQWSA-N 2 0 298.387 -1.620 20 0 CAADRP C[C@H](NC(=O)[C@H]1C[NH2+]CCN1C)[C@H]1C[N@H+](C)CCN1C ZINC001515355951 894185672 /nfs/dbraw/zinc/18/56/72/894185672.db2.gz AALIYUVOLSSJJG-YNEHKIRRSA-N 2 0 283.420 -1.360 20 0 CAADRP C[C@H](NC(=O)[C@@H]1C[NH2+]CCN1C)[C@H]1C[N@H+](C)CCN1C ZINC001515355944 894186062 /nfs/dbraw/zinc/18/60/62/894186062.db2.gz AALIYUVOLSSJJG-RWMBFGLXSA-N 2 0 283.420 -1.360 20 0 CAADRP C[C@H](NC(=O)[C@H]1C[NH2+]CCN1C)[C@@H]1C[N@H+](C)CCN1C ZINC001515355946 894186708 /nfs/dbraw/zinc/18/67/08/894186708.db2.gz AALIYUVOLSSJJG-XQQFMLRXSA-N 2 0 283.420 -1.360 20 0 CAADRP C[NH2+]C[C@@H](O)[C@H](C)C(=O)NCCN1CC[NH2+]CC1 ZINC001521150597 894202630 /nfs/dbraw/zinc/20/26/30/894202630.db2.gz ARQXCVUORRGCEU-WDEREUQCSA-N 2 0 258.366 -1.776 20 0 CAADRP C[NH2+]C[C@@H](O)[C@@H](C)C(=O)NCCCN1CC[NH2+]CC1 ZINC001521145337 894202815 /nfs/dbraw/zinc/20/28/15/894202815.db2.gz SMBTXMNTJDGLQI-VXGBXAGGSA-N 2 0 272.393 -1.386 20 0 CAADRP C[NH2+]C[C@@H](O)[C@H](C)C(=O)NCCCN1CC[NH2+]CC1 ZINC001521145335 894203383 /nfs/dbraw/zinc/20/33/83/894203383.db2.gz SMBTXMNTJDGLQI-NWDGAFQWSA-N 2 0 272.393 -1.386 20 0 CAADRP [NH3+][C@@H](CNC(=O)[C@@H]1CC(=O)N(C2C[NH2+]C2)C1)C1CC1 ZINC001521508522 894208196 /nfs/dbraw/zinc/20/81/96/894208196.db2.gz VWHRGIROMBKRSW-KOLCDFICSA-N 2 0 266.345 -1.340 20 0 CAADRP [NH3+][C@H](CNC(=O)[C@@H]1CC(=O)N(C2C[NH2+]C2)C1)C1CC1 ZINC001521508524 894208801 /nfs/dbraw/zinc/20/88/01/894208801.db2.gz VWHRGIROMBKRSW-MWLCHTKSSA-N 2 0 266.345 -1.340 20 0 CAADRP [NH3+]CCNCC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001521476629 894209926 /nfs/dbraw/zinc/20/99/26/894209926.db2.gz MHQPFKWQFJAHJU-UHFFFAOYSA-N 2 0 297.403 -1.699 20 0 CAADRP [NH3+][C@@H](CNC(=O)[C@H]1CC(=O)N(C2C[NH2+]C2)C1)C1CC1 ZINC001521508527 894210333 /nfs/dbraw/zinc/21/03/33/894210333.db2.gz VWHRGIROMBKRSW-ONGXEEELSA-N 2 0 266.345 -1.340 20 0 CAADRP C[C@@H](NC(=O)[C@@H]1CC(=O)N(C2C[NH2+]C2)C1)[C@H](C)[NH3+] ZINC001521547770 894210479 /nfs/dbraw/zinc/21/04/79/894210479.db2.gz ZMNMJXOOSIFZFU-DJLDLDEBSA-N 2 0 254.334 -1.341 20 0 CAADRP C[NH2+]C[C@@H](O)[C@H](C)C(=O)N1CCNCC[NH2+]CC1 ZINC001522984065 894262798 /nfs/dbraw/zinc/26/27/98/894262798.db2.gz PGCMLAGZAGLMEK-WDEREUQCSA-N 2 0 258.366 -1.776 20 0 CAADRP COC[C@]1(C(=O)N[C@@H]2C[NH2+]C[C@@H]2O)CCCC[NH2+]1 ZINC001522082070 894215743 /nfs/dbraw/zinc/21/57/43/894215743.db2.gz HFCXQODLHGTYJG-SCVCMEIPSA-N 2 0 257.334 -1.406 20 0 CAADRP O=C(N[C@H]1C[NH2+]C[C@H]1O)[C@H]1[NH2+]CC12CCOCC2 ZINC001522083166 894216240 /nfs/dbraw/zinc/21/62/40/894216240.db2.gz MGPGSRKULPYLBG-IVZWLZJFSA-N 2 0 255.318 -1.796 20 0 CAADRP O=C(N[C@H]1C[NH2+]C[C@H]1O)[C@@H]1[NH2+]CC12CCOCC2 ZINC001522083161 894217259 /nfs/dbraw/zinc/21/72/59/894217259.db2.gz MGPGSRKULPYLBG-AEJSXWLSSA-N 2 0 255.318 -1.796 20 0 CAADRP COC[C@@]1(C(=O)N[C@@H]2C[NH2+]C[C@@H]2O)CCCC[NH2+]1 ZINC001522082067 894217653 /nfs/dbraw/zinc/21/76/53/894217653.db2.gz HFCXQODLHGTYJG-JFGNBEQYSA-N 2 0 257.334 -1.406 20 0 CAADRP CN1CC[NH2+]C[C@H]1C(=O)N1NC(=O)C[C@@]12CC[NH2+]C2 ZINC001522310655 894218581 /nfs/dbraw/zinc/21/85/81/894218581.db2.gz CHDFCNDOOBWDFC-JOYOIKCWSA-N 2 0 267.333 -2.114 20 0 CAADRP CN1CC[NH2+]C[C@@H]1C(=O)N1NC(=O)C[C@]12CC[NH2+]C2 ZINC001522310657 894220611 /nfs/dbraw/zinc/22/06/11/894220611.db2.gz CHDFCNDOOBWDFC-SKDRFNHKSA-N 2 0 267.333 -2.114 20 0 CAADRP COCC[NH2+]CC(=O)N1C[C@@H]2C[C@@H]([NH3+])C[C@]2(C(=O)OC)C1 ZINC001522580282 894236297 /nfs/dbraw/zinc/23/62/97/894236297.db2.gz ALGJXROWLXSFJW-WDMOLILDSA-N 2 0 299.371 -1.039 20 0 CAADRP [NH3+]C1CCN(CCNC(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)CC1 ZINC001522638349 894243079 /nfs/dbraw/zinc/24/30/79/894243079.db2.gz FYDTZZJIUZAFFF-GDNZZTSVSA-N 2 0 252.362 -1.009 20 0 CAADRP C[C@@H]1CN(C(=O)[C@H]2CCCN(CC[NH3+])C2=O)C[C@H]1[NH3+] ZINC001523038238 894260891 /nfs/dbraw/zinc/26/08/91/894260891.db2.gz LIAPNILEEOPTCM-OUAUKWLOSA-N 2 0 268.361 -1.011 20 0 CAADRP C[C@@H]1CN(C(=O)[C@@H]2CCCN(CC[NH3+])C2=O)C[C@H]1[NH3+] ZINC001523038237 894261078 /nfs/dbraw/zinc/26/10/78/894261078.db2.gz LIAPNILEEOPTCM-GMTAPVOTSA-N 2 0 268.361 -1.011 20 0 CAADRP CN1CCN(C(=O)CNCC[NH3+])CC[N@H+](C)CC1 ZINC001523482195 894267696 /nfs/dbraw/zinc/26/76/96/894267696.db2.gz KXZBZIBEDUDEGJ-UHFFFAOYSA-N 2 0 257.382 -1.760 20 0 CAADRP COCC[NH2+]CC(=O)N[C@H](C)[C@@H]1C[N@H+](C)CCN1C ZINC001524029464 894271316 /nfs/dbraw/zinc/27/13/16/894271316.db2.gz NLIZASCNXANLMH-NEPJUHHUSA-N 2 0 272.393 -1.027 20 0 CAADRP COCC[NH2+]CC(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCN1C ZINC001524029474 894276646 /nfs/dbraw/zinc/27/66/46/894276646.db2.gz NLIZASCNXANLMH-NWDGAFQWSA-N 2 0 272.393 -1.027 20 0 CAADRP O=C(C[C@]1(O)CCC[NH2+]C1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC001548557151 894485846 /nfs/dbraw/zinc/48/58/46/894485846.db2.gz RZFNTZCWOAJUJR-UKRRQHHQSA-N 2 0 296.415 -1.003 20 0 CAADRP [NH3+]C[C@H](O)CC(=O)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC001548554812 894485899 /nfs/dbraw/zinc/48/58/99/894485899.db2.gz WYYFLBSRYSKSHE-WOPDTQHZSA-N 2 0 271.361 -1.246 20 0 CAADRP [NH3+]C[C@@H](O)CC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001548554204 894486073 /nfs/dbraw/zinc/48/60/73/894486073.db2.gz SEIRSQNPOCGPHP-LBPRGKRZSA-N 2 0 298.387 -1.537 20 0 CAADRP C[C@@H]1COCCN1CCNC(=O)[C@H]1C[NH2+]CCN1C ZINC001548554508 894486376 /nfs/dbraw/zinc/48/63/76/894486376.db2.gz VSYMGQCAHGAPFK-VXGBXAGGSA-N 2 0 270.377 -1.273 20 0 CAADRP [NH3+]C[C@H](O)CC(=O)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC001548554541 894486714 /nfs/dbraw/zinc/48/67/14/894486714.db2.gz WYYFLBSRYSKSHE-IJLUTSLNSA-N 2 0 271.361 -1.246 20 0 CAADRP CN1CC[NH2+]C[C@H]1CNC(=O)[C@H]1C[NH2+]CCN1C ZINC001548558790 894486778 /nfs/dbraw/zinc/48/67/78/894486778.db2.gz KCNYVJJFJJBVMG-WDEREUQCSA-N 2 0 255.366 -2.090 20 0 CAADRP O=C(NC[C@@H]1C[NH2+]CCO1)C1=NO[C@]2(C1)CCC[NH2+]C2 ZINC001548562434 894486839 /nfs/dbraw/zinc/48/68/39/894486839.db2.gz OTPUYZJMMRPVJM-GWCFXTLKSA-N 2 0 282.344 -1.011 20 0 CAADRP CN1CC[NH2+]C[C@@H]1CNC(=O)[C@@H]1C[NH2+]CCN1C ZINC001548558788 894487089 /nfs/dbraw/zinc/48/70/89/894487089.db2.gz KCNYVJJFJJBVMG-MNOVXSKESA-N 2 0 255.366 -2.090 20 0 CAADRP CN1CC[NH2+]C[C@@H]1CNC(=O)C1=NOC2(C1)CC[NH2+]CC2 ZINC001548558774 894487275 /nfs/dbraw/zinc/48/72/75/894487275.db2.gz JPAYCUDBDXPXPB-LLVKDONJSA-N 2 0 295.387 -1.095 20 0 CAADRP [NH3+]C[C@H](O)CC(=O)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC001548554542 894487330 /nfs/dbraw/zinc/48/73/30/894487330.db2.gz WYYFLBSRYSKSHE-UTUOFQBUSA-N 2 0 271.361 -1.246 20 0 CAADRP [NH3+]C[C@H](O)CC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001548554203 894487424 /nfs/dbraw/zinc/48/74/24/894487424.db2.gz SEIRSQNPOCGPHP-GFCCVEGCSA-N 2 0 298.387 -1.537 20 0 CAADRP O=C(C[C@@]1(O)CCC[NH2+]C1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC001548557154 894487547 /nfs/dbraw/zinc/48/75/47/894487547.db2.gz RZFNTZCWOAJUJR-ZFWWWQNUSA-N 2 0 296.415 -1.003 20 0 CAADRP CN1CC[NH2+]C[C@@H]1CNC(=O)C[C@]1(O)CCC[NH2+]C1 ZINC001548558823 894487559 /nfs/dbraw/zinc/48/75/59/894487559.db2.gz LAFHVWSFFLYSNE-DGCLKSJQSA-N 2 0 270.377 -1.489 20 0 CAADRP CN1CC[NH2+]C[C@@H]1C(=O)NC[C@H]1C[NH2+]CCN1C ZINC001548558787 894487605 /nfs/dbraw/zinc/48/76/05/894487605.db2.gz KCNYVJJFJJBVMG-GHMZBOCLSA-N 2 0 255.366 -2.090 20 0 CAADRP C[NH+]1CCN(c2cc(C(=O)NC[C@@H](O)C[NH3+])ccn2)CC1 ZINC001548570588 894488624 /nfs/dbraw/zinc/48/86/24/894488624.db2.gz JIZMZWWDKWGJMH-LBPRGKRZSA-N 2 0 293.371 -1.117 20 0 CAADRP CCO[C@@H]1C[C@@]([NH3+])(C(=O)N[C@@H]2C[NH2+]C[C@@H]2O)C1(C)C ZINC001548573691 894489546 /nfs/dbraw/zinc/48/95/46/894489546.db2.gz VATPNTXYCZSKIT-BSTOTGJRSA-N 2 0 271.361 -1.032 20 0 CAADRP O=C(C[C@@H]1COCC[NH2+]1)N1CCC[C@H]([NH2+]CCO)C1 ZINC001548575133 894489594 /nfs/dbraw/zinc/48/95/94/894489594.db2.gz XORSDVXPZGPIHR-NWDGAFQWSA-N 2 0 271.361 -1.062 20 0 CAADRP CC1(C)CN(C(=O)[C@@H]2C[NH2+]CCO2)CC2(C[NH2+]C2)O1 ZINC001548575445 894489839 /nfs/dbraw/zinc/48/98/39/894489839.db2.gz DITZUPPCKUZUNW-JTQLQIEISA-N 2 0 269.345 -1.046 20 0 CAADRP CC1(C)CN(C(=O)[C@H]2C[NH2+]CCO2)CC2(C[NH2+]C2)O1 ZINC001548575446 894489849 /nfs/dbraw/zinc/48/98/49/894489849.db2.gz DITZUPPCKUZUNW-SNVBAGLBSA-N 2 0 269.345 -1.046 20 0 CAADRP CN1CC[NH2+]C[C@H]1C(=O)N1CCC[C@@H]([NH2+]CCO)C1 ZINC001548574540 894489866 /nfs/dbraw/zinc/48/98/66/894489866.db2.gz GAMNEQAWXLJMSD-NEPJUHHUSA-N 2 0 270.377 -1.537 20 0 CAADRP O=C(N1CCC[C@@H]([NH2+]CCO)C1)[C@]12C[NH2+]C[C@H]1COC2 ZINC001548575052 894489881 /nfs/dbraw/zinc/48/98/81/894489881.db2.gz VMPBPHDUTMVTCJ-SCRDCRAPSA-N 2 0 283.372 -1.205 20 0 CAADRP O=C(N[C@H]1C[NH2+]C[C@H]1O)c1cnn([C@H]2CCC[NH2+]C2)c1 ZINC001548573239 894489906 /nfs/dbraw/zinc/48/99/06/894489906.db2.gz JFTBRPSABYQWBO-SDDRHHMPSA-N 2 0 279.344 -1.130 20 0 CAADRP O=C(CN1CC[NH2+]CC1)N1CCC[C@@H]([NH2+]CCO)C1 ZINC001548574538 894490082 /nfs/dbraw/zinc/49/00/82/894490082.db2.gz FZTGEQBNHQIIJX-GFCCVEGCSA-N 2 0 270.377 -1.536 20 0 CAADRP O=C(N1CCC[C@H]([NH2+]CCO)C1)[C@]12C[NH2+]C[C@H]1CCO2 ZINC001548574627 894490416 /nfs/dbraw/zinc/49/04/16/894490416.db2.gz HCIBOASTKOFXGC-DYEKYZERSA-N 2 0 283.372 -1.062 20 0 CAADRP C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC001548726883 894497088 /nfs/dbraw/zinc/49/70/88/894497088.db2.gz OLDGGXWSWBTPDH-XJFOESAGSA-N 2 0 294.399 -1.348 20 0 CAADRP C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC001548726882 894499648 /nfs/dbraw/zinc/49/96/48/894499648.db2.gz OLDGGXWSWBTPDH-RQJABVFESA-N 2 0 294.399 -1.348 20 0 CAADRP C[C@H]1CN2CC[N@@H+]1C[C@H]2C(=O)NCC[NH+]1CC[C@@H](O)C1 ZINC001548733282 894503174 /nfs/dbraw/zinc/50/31/74/894503174.db2.gz BRYAXHQTMCCCLD-XQQFMLRXSA-N 2 0 282.388 -1.443 20 0 CAADRP Cn1cc([C@@H]2CN(C(=O)[C@@H]3C[NH2+]CCOC3)C[C@@H]2[NH3+])cn1 ZINC001548945412 894506515 /nfs/dbraw/zinc/50/65/15/894506515.db2.gz PHGVFUDJQXCRKD-AGIUHOORSA-N 2 0 293.371 -1.091 20 0 CAADRP CO[C@@H]1C[NH2+][C@H](C(=O)N2CC[C@@H]3OCC[NH2+][C@@H]3C2)C1 ZINC001549044839 894506621 /nfs/dbraw/zinc/50/66/21/894506621.db2.gz LBAJBBPEONSMDR-YFKTTZPYSA-N 2 0 269.345 -1.047 20 0 CAADRP Cn1ccnc1[C@@H]1C[NH2+]CCN1CC(=O)N1CC[NH2+]CC1 ZINC001549041492 894506826 /nfs/dbraw/zinc/50/68/26/894506826.db2.gz PIXVVRKZKTWJSR-LBPRGKRZSA-N 2 0 292.387 -1.202 20 0 CAADRP O=C(C[C@H]1C[NH2+]CCO1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC001549044514 894506988 /nfs/dbraw/zinc/50/69/88/894506988.db2.gz SGNNUUSSSMLWDR-STQMWFEESA-N 2 0 282.388 -1.129 20 0 CAADRP CO[C@@H]1C[NH2+][C@@H](C(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)C1 ZINC001549045524 894507024 /nfs/dbraw/zinc/50/70/24/894507024.db2.gz CKUMMJZEEFPTIT-RWMBFGLXSA-N 2 0 282.388 -1.131 20 0 CAADRP O=C(C[C@@H]1C[NH2+]CCO1)N1CC[C@@H]2OCC[NH2+][C@H]2C1 ZINC001549045390 894507632 /nfs/dbraw/zinc/50/76/32/894507632.db2.gz VKLWWCUWKLBSDZ-WOPDTQHZSA-N 2 0 269.345 -1.046 20 0 CAADRP O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)NC[C@H]1C[NH2+]CCCO1 ZINC001549046102 894507724 /nfs/dbraw/zinc/50/77/24/894507724.db2.gz HALYPFPDUFZMEY-NEPJUHHUSA-N 2 0 298.387 -1.261 20 0 CAADRP COC[C@@H]([NH3+])C(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC001549045662 894507755 /nfs/dbraw/zinc/50/77/55/894507755.db2.gz GFSRREKLLJVPRK-GHMZBOCLSA-N 2 0 256.350 -1.534 20 0 CAADRP CO[C@@H]1C[NH2+][C@H](C(=O)N2CC[C@@H]3OCC[NH2+][C@H]3C2)C1 ZINC001549044836 894507831 /nfs/dbraw/zinc/50/78/31/894507831.db2.gz LBAJBBPEONSMDR-BJDJZHNGSA-N 2 0 269.345 -1.047 20 0 CAADRP O=C([C@@H]1C[NH2+]CCO1)N1CC[C@H]2OCC[NH2+][C@@H]2C1 ZINC001549044830 894507899 /nfs/dbraw/zinc/50/78/99/894507899.db2.gz KWUIFHATNKTRLQ-MXWKQRLJSA-N 2 0 255.318 -1.436 20 0 CAADRP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)N1CC[C@@H]2OCC[NH2+][C@H]2C1 ZINC001549044840 894507920 /nfs/dbraw/zinc/50/79/20/894507920.db2.gz LOUNOSUXAZVZGW-SRVKXCTJSA-N 2 0 296.371 -1.556 20 0 CAADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CC[C@H]2OCC[NH2+][C@H]2C1 ZINC001549045004 894508281 /nfs/dbraw/zinc/50/82/81/894508281.db2.gz OQKZQDFRTSELKY-LOWVWBTDSA-N 2 0 298.387 -1.325 20 0 CAADRP O=C([C@@H]1C[NH2+]CCO1)N1CC[C@@H]2OCC[NH2+][C@H]2C1 ZINC001549044829 894508545 /nfs/dbraw/zinc/50/85/45/894508545.db2.gz KWUIFHATNKTRLQ-DCAQKATOSA-N 2 0 255.318 -1.436 20 0 CAADRP Cn1cc([C@@H]2CN(C(=O)[C@H]3C[NH2+]CCOC3)C[C@@H]2[NH3+])cn1 ZINC001548945415 894508617 /nfs/dbraw/zinc/50/86/17/894508617.db2.gz PHGVFUDJQXCRKD-AVGNSLFASA-N 2 0 293.371 -1.091 20 0 CAADRP O=C(C[C@@H]1C[NH2+]CCO1)N1CC[C@H]2OCC[NH2+][C@H]2C1 ZINC001549045387 894508811 /nfs/dbraw/zinc/50/88/11/894508811.db2.gz VKLWWCUWKLBSDZ-GRYCIOLGSA-N 2 0 269.345 -1.046 20 0 CAADRP O=C(N1CC[C@@H]2OCC[NH2+][C@@H]2C1)[C@@]12C[NH2+]C[C@@H]1COC2 ZINC001549122263 894509963 /nfs/dbraw/zinc/50/99/63/894509963.db2.gz SONMPOVXJNMIHL-NRWUCQMLSA-N 2 0 281.356 -1.188 20 0 CAADRP [NH3+]CC(=O)NCC(=O)N1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1 ZINC001549132788 894510173 /nfs/dbraw/zinc/51/01/73/894510173.db2.gz SAQJTRIDENTIIJ-IJLUTSLNSA-N 2 0 298.387 -1.051 20 0 CAADRP CC(C)[C@@H]([NH3+])C(=O)NCC(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC001549050623 894510737 /nfs/dbraw/zinc/51/07/37/894510737.db2.gz OZFOPPQUAYZCFJ-CMPLNLGQSA-N 2 0 286.376 -1.338 20 0 CAADRP [NH3+]CC(=O)NCC(=O)N1C[C@H]2CCC[C@]2(C[NH3+])C1 ZINC001549128434 894511222 /nfs/dbraw/zinc/51/12/22/894511222.db2.gz MFAGPBXVAXBXRL-SKDRFNHKSA-N 2 0 254.334 -1.351 20 0 CAADRP O=C(N1CC[C@@H]2OCC[NH2+][C@@H]2C1)[C@]12C[NH2+]C[C@@H]1COC2 ZINC001549122262 894511398 /nfs/dbraw/zinc/51/13/98/894511398.db2.gz SONMPOVXJNMIHL-NMKXLXIOSA-N 2 0 281.356 -1.188 20 0 CAADRP CO[C@@H](C[NH3+])CC(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC001549046630 894511523 /nfs/dbraw/zinc/51/15/23/894511523.db2.gz YQKDBCZJKSAPQG-NWDGAFQWSA-N 2 0 270.377 -1.144 20 0 CAADRP O=C(NC[C@@H]1C[NH2+]CCCO1)N1CC[N@@H+]2C[C@@H](O)C[C@@H]2C1 ZINC001549176891 894511686 /nfs/dbraw/zinc/51/16/86/894511686.db2.gz ZVXDOYLTNAERTL-AGIUHOORSA-N 2 0 298.387 -1.175 20 0 CAADRP [NH3+]C[C@@H]1CN(C(=O)CCNC(=O)[C@H]2CCC[NH2+]2)CCCO1 ZINC001549048788 894511918 /nfs/dbraw/zinc/51/19/18/894511918.db2.gz GZXLIVGUCIIXGF-VXGBXAGGSA-N 2 0 298.387 -1.179 20 0 CAADRP CO[C@H](C[NH3+])CC(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC001549046631 894511926 /nfs/dbraw/zinc/51/19/26/894511926.db2.gz YQKDBCZJKSAPQG-RYUDHWBXSA-N 2 0 270.377 -1.144 20 0 CAADRP O=C(N1CC[C@@H]2OCC[NH2+][C@@H]2C1)[C@@]12C[NH2+]C[C@H]1COC2 ZINC001549122261 894511959 /nfs/dbraw/zinc/51/19/59/894511959.db2.gz SONMPOVXJNMIHL-KZVDOYCCSA-N 2 0 281.356 -1.188 20 0 CAADRP O=C(N1CC[C@H](N2CC[NH2+]CC2)C1)[C@@]12C[NH2+]C[C@@H]1COC2 ZINC001549121276 894512061 /nfs/dbraw/zinc/51/20/61/894512061.db2.gz CSRVPXPPEIHHDE-VNHYZAJKSA-N 2 0 294.399 -1.272 20 0 CAADRP CC(C)[C@@H]([NH3+])C(=O)NCC(=O)NC[C@H]1C[NH2+]CCCO1 ZINC001549046438 894512168 /nfs/dbraw/zinc/51/21/68/894512168.db2.gz YLHALPPKIRPRJI-ZYHUDNBSSA-N 2 0 286.376 -1.419 20 0 CAADRP [NH3+]C[C@@H]1CN(C(=O)CNC(=O)[C@H]2CCC[NH2+]2)CCCO1 ZINC001549048798 894512279 /nfs/dbraw/zinc/51/22/79/894512279.db2.gz HEMFNKJBNPPICJ-GHMZBOCLSA-N 2 0 284.360 -1.569 20 0 CAADRP O=C(NC[C@@H]1C[NH2+]CCCO1)[C@]12C[NH2+]C[C@@H]1COC2 ZINC001549125898 894512357 /nfs/dbraw/zinc/51/23/57/894512357.db2.gz ULXFJALRAMVIOT-MDZLAQPJSA-N 2 0 269.345 -1.283 20 0 CAADRP [NH3+]CC(=O)NCC(=O)N1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC001549047294 894512592 /nfs/dbraw/zinc/51/25/92/894512592.db2.gz NRCXTQVSVRXDGT-RISCZKNCSA-N 2 0 298.387 -1.194 20 0 CAADRP O=C(CN1CC[C@H]2OCC[NH2+][C@@H]2C1)N1CC[NH2+]CC1 ZINC001549112930 894512636 /nfs/dbraw/zinc/51/26/36/894512636.db2.gz IEZNTWISTFXJSX-VXGBXAGGSA-N 2 0 268.361 -1.519 20 0 CAADRP [NH3+]C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC001549291095 894513948 /nfs/dbraw/zinc/51/39/48/894513948.db2.gz XLGMSTINEPNJHS-XQQFMLRXSA-N 2 0 282.388 -1.144 20 0 CAADRP [NH3+]C[C@@H]1OCC[C@@H]1C(=O)N1CC[C@H]2OCC[NH2+][C@@H]2C1 ZINC001549290762 894514298 /nfs/dbraw/zinc/51/42/98/894514298.db2.gz FTWPZMWDFFOJLU-QCNOEVLYSA-N 2 0 269.345 -1.061 20 0 CAADRP [NH3+]C[C@@H]1CCO[C@@H]1C(=O)N1CC[C@H]2OCC[NH2+][C@H]2C1 ZINC001549294536 894514811 /nfs/dbraw/zinc/51/48/11/894514811.db2.gz WUZBJZCHLDCBFF-YFKTTZPYSA-N 2 0 269.345 -1.061 20 0 CAADRP CC(C)[C@@H]([NH3+])C(=O)NCC(=O)NCC12CC(C1)C[NH2+]2 ZINC001549299881 894515043 /nfs/dbraw/zinc/51/50/43/894515043.db2.gz NMLMVXPDJLQVOK-DMLGSKKGSA-N 2 0 268.361 -1.046 20 0 CAADRP C[C@@H]1C[NH2+]C[C@@H](C(=O)NC[C@H]2C[NH2+]CCCO2)O1 ZINC001549286961 894515325 /nfs/dbraw/zinc/51/53/25/894515325.db2.gz KPNUZWMTUIKBCJ-MXWKQRLJSA-N 2 0 257.334 -1.142 20 0 CAADRP O=C(NC[C@@H]1C[NH2+]CCCO1)N1CC[N@@H+]2C[C@H](O)C[C@@H]2C1 ZINC001549176899 894515499 /nfs/dbraw/zinc/51/54/99/894515499.db2.gz ZVXDOYLTNAERTL-UPJWGTAASA-N 2 0 298.387 -1.175 20 0 CAADRP [NH3+]C[C@@H]1OCC[C@@H]1C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC001549291093 894516018 /nfs/dbraw/zinc/51/60/18/894516018.db2.gz XLGMSTINEPNJHS-AVGNSLFASA-N 2 0 282.388 -1.144 20 0 CAADRP O=C(N1CCC(n2ncc3c2C[NH2+]C3)CC1)C1(O)C[NH2+]C1 ZINC001549291980 894516062 /nfs/dbraw/zinc/51/60/62/894516062.db2.gz GIAYTLARDZRPTD-UHFFFAOYSA-N 2 0 291.355 -1.016 20 0 CAADRP Cn1cnc([C@@H]2CN(C(=O)[C@@H]3C[NH2+]CCO3)C[C@H]2[NH3+])c1 ZINC001549735430 894521313 /nfs/dbraw/zinc/52/13/13/894521313.db2.gz KSBKRVKOIGDTSN-FOGDFJRCSA-N 2 0 279.344 -1.338 20 0 CAADRP [NH3+]CC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC001549729029 894521369 /nfs/dbraw/zinc/52/13/69/894521369.db2.gz XDRWYLFLFQBJPC-SKDRFNHKSA-N 2 0 254.334 -1.292 20 0 CAADRP Cn1cnc([C@H]2CN(C(=O)CN3CC[NH2+]CC3)C[C@H]2[NH3+])c1 ZINC001549737892 894522658 /nfs/dbraw/zinc/52/26/58/894522658.db2.gz PEVJYJPKVUVGKK-NWDGAFQWSA-N 2 0 292.387 -1.422 20 0 CAADRP C[NH2+]CC(=O)N[C@@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1 ZINC001549728982 894523112 /nfs/dbraw/zinc/52/31/12/894523112.db2.gz WCEXZKBXDGMNKS-ZWNOBZJWSA-N 2 0 268.361 -1.031 20 0 CAADRP Cn1cnc([C@@H]2CN(C(=O)[C@H]3C[NH2+]CCO3)C[C@@H]2[NH3+])c1 ZINC001549735432 894523251 /nfs/dbraw/zinc/52/32/51/894523251.db2.gz KSBKRVKOIGDTSN-JFGNBEQYSA-N 2 0 279.344 -1.338 20 0 CAADRP Cn1cnc([C@H]2CN(C(=O)C3(O)C[NH2+]C3)C[C@H]2[NH3+])c1 ZINC001549739928 894523622 /nfs/dbraw/zinc/52/36/22/894523622.db2.gz VKEZTLLZZRTBKM-DTWKUNHWSA-N 2 0 265.317 -1.993 20 0 CAADRP Cn1cc([C@@H]2CN(C(=O)[C@@H]3OCC[C@@H]3[NH3+])C[C@@H]2[NH3+])cn1 ZINC001550066845 894524914 /nfs/dbraw/zinc/52/49/14/894524914.db2.gz IPKQPMVWMLZFAR-FIQHERPVSA-N 2 0 279.344 -1.211 20 0 CAADRP O=C(CN1CC[NH2+]CC1)N1CC[C@@H]2OCC[NH2+][C@@H]2C1 ZINC001550061157 894525362 /nfs/dbraw/zinc/52/53/62/894525362.db2.gz WAXBEEXJKNFANR-NEPJUHHUSA-N 2 0 268.361 -1.519 20 0 CAADRP Cn1cc([C@H]2CN(C(=O)CN3CC[NH2+]CC3)C[C@H]2[NH3+])cn1 ZINC001550067744 894525716 /nfs/dbraw/zinc/52/57/16/894525716.db2.gz UJMXUSZDAQFOIJ-CHWSQXEVSA-N 2 0 292.387 -1.422 20 0 CAADRP O=C(CN1CC[NH2+]CC1)N1CC[C@H]2OCC[NH2+][C@H]2C1 ZINC001550061159 894526087 /nfs/dbraw/zinc/52/60/87/894526087.db2.gz WAXBEEXJKNFANR-NWDGAFQWSA-N 2 0 268.361 -1.519 20 0 CAADRP [NH3+][C@@H]1CCO[C@@H]1C(=O)N1CC[C@@H]2OCC[NH2+][C@@H]2C1 ZINC001550060722 894526111 /nfs/dbraw/zinc/52/61/11/894526111.db2.gz NATHQKLZPAHXIT-ZNSHCXBVSA-N 2 0 255.318 -1.308 20 0 CAADRP O=C(CN1CC[NH2+]CC1)N1CC[C@@H]2OCC[NH2+][C@H]2C1 ZINC001550061160 894527394 /nfs/dbraw/zinc/52/73/94/894527394.db2.gz WAXBEEXJKNFANR-RYUDHWBXSA-N 2 0 268.361 -1.519 20 0 CAADRP O=C(NCc1cn([C@@H]2CC[NH2+]C2)nn1)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC001550087146 894528495 /nfs/dbraw/zinc/52/84/95/894528495.db2.gz NWFCVBQOTKFCOX-WYUUTHIRSA-N 2 0 276.344 -1.106 20 0 CAADRP [NH3+][C@@H]1C[C@@H]1C(=O)NCc1cn([C@H]2CC[NH2+]C2)nn1 ZINC001550087447 894528631 /nfs/dbraw/zinc/52/86/31/894528631.db2.gz USFGIXWDYFODOY-LPEHRKFASA-N 2 0 250.306 -1.224 20 0 CAADRP C[NH+]1CCN([C@H]2CCN(C(=O)C3(O)C[NH2+]C3)C2)CC1 ZINC001550116006 894528700 /nfs/dbraw/zinc/52/87/00/894528700.db2.gz IDRGUQRZAAVALK-NSHDSACASA-N 2 0 268.361 -1.831 20 0 CAADRP O=C(NC[C@@H]1CC2(CO1)CC[NH2+]CC2)[C@H]1C[C@@H](O)C[NH2+]1 ZINC001550114406 894528741 /nfs/dbraw/zinc/52/87/41/894528741.db2.gz FNKYPUBVPKINCG-GRYCIOLGSA-N 2 0 283.372 -1.016 20 0 CAADRP C[NH+]1CCN([C@@H]2CCN(C(=O)[C@@H]3C[NH2+]CCO3)C2)CC1 ZINC001550115796 894528811 /nfs/dbraw/zinc/52/88/11/894528811.db2.gz FYWWRNNTBUEVNO-OLZOCXBDSA-N 2 0 282.388 -1.177 20 0 CAADRP [NH3+]CC(=O)NCC(=O)N[C@H]1C[NH2+]C[C@@H]1c1ccccc1 ZINC001550078032 894528830 /nfs/dbraw/zinc/52/88/30/894528830.db2.gz TZZBRQXWWCAWLC-NEPJUHHUSA-N 2 0 276.340 -1.067 20 0 CAADRP [NH3+]CC(=O)NCC(=O)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC001550090028 894528842 /nfs/dbraw/zinc/52/88/42/894528842.db2.gz BESNHJGBSJSCJH-LBPRGKRZSA-N 2 0 298.387 -1.322 20 0 CAADRP C[NH+]1CCN([C@@H]2CCN(C(=O)[C@@H]3OCC[C@H]3[NH3+])C2)CC1 ZINC001550115780 894529228 /nfs/dbraw/zinc/52/92/28/894529228.db2.gz FXEPSMFFNDMNCC-JHJVBQTASA-N 2 0 282.388 -1.049 20 0 CAADRP [NH3+]Cc1cn([C@H]2CCN(C(=O)[C@@H]3C[NH2+]CCOC3)C2)nn1 ZINC001550095112 894529313 /nfs/dbraw/zinc/52/93/13/894529313.db2.gz GHROINLZKNFKMG-PWSUYJOCSA-N 2 0 294.359 -1.254 20 0 CAADRP [NH3+]Cc1cn([C@@H]2CCN(C(=O)[C@H]3C[NH2+]CCOC3)C2)nn1 ZINC001550095108 894529508 /nfs/dbraw/zinc/52/95/08/894529508.db2.gz GHROINLZKNFKMG-CMPLNLGQSA-N 2 0 294.359 -1.254 20 0 CAADRP C[NH+](C)CC(=O)NCc1cn([C@@H]2CC[NH2+]C2)nn1 ZINC001550087168 894529546 /nfs/dbraw/zinc/52/95/46/894529546.db2.gz PBBSWCBKQHZRDC-SNVBAGLBSA-N 2 0 252.322 -1.010 20 0 CAADRP [NH3+]CC(=O)NCC(=O)N[C@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC001550078033 894529607 /nfs/dbraw/zinc/52/96/07/894529607.db2.gz TZZBRQXWWCAWLC-RYUDHWBXSA-N 2 0 276.340 -1.067 20 0 CAADRP O=C(NC[C@@H]1CC2(CO1)CC[NH2+]CC2)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC001550114420 894529673 /nfs/dbraw/zinc/52/96/73/894529673.db2.gz FNKYPUBVPKINCG-WOPDTQHZSA-N 2 0 283.372 -1.016 20 0 CAADRP CN1CC[C@H]([NH+]2CCC(NC(=O)C3(O)C[NH2+]C3)CC2)C1=O ZINC001550092571 894529697 /nfs/dbraw/zinc/52/96/97/894529697.db2.gz IRXCMPVTUKHSEA-NSHDSACASA-N 2 0 296.371 -1.868 20 0 CAADRP O=C(NCc1cn([C@H]2CC[NH2+]C2)nn1)[C@@H]1C[NH2+]CCOC1 ZINC001550087513 894529765 /nfs/dbraw/zinc/52/97/65/894529765.db2.gz WHWAXLXPRZSAGZ-PWSUYJOCSA-N 2 0 294.359 -1.335 20 0 CAADRP C[NH+]1CCN([C@H]2CCN(C(=O)[C@H]3C[NH2+]CCO3)C2)CC1 ZINC001550115797 894530096 /nfs/dbraw/zinc/53/00/96/894530096.db2.gz FYWWRNNTBUEVNO-QWHCGFSZSA-N 2 0 282.388 -1.177 20 0 CAADRP O=C(NCc1cn([C@H]2CC[NH2+]C2)nn1)[C@H]1C[NH2+]CCOC1 ZINC001550087511 894530454 /nfs/dbraw/zinc/53/04/54/894530454.db2.gz WHWAXLXPRZSAGZ-JQWIXIFHSA-N 2 0 294.359 -1.335 20 0 CAADRP C[C@@]1(C(=O)NCc2cn([C@@H]3CC[NH2+]C3)nn2)C[NH2+]CCO1 ZINC001550087643 894530703 /nfs/dbraw/zinc/53/07/03/894530703.db2.gz HNEXYBTZOWFRNT-YPMHNXCESA-N 2 0 294.359 -1.193 20 0 CAADRP C[C@@]1(C(=O)NCc2cn([C@H]3CC[NH2+]C3)nn2)C[NH2+]CCO1 ZINC001550087636 894530802 /nfs/dbraw/zinc/53/08/02/894530802.db2.gz HNEXYBTZOWFRNT-AAEUAGOBSA-N 2 0 294.359 -1.193 20 0 CAADRP C[C@]1(C(=O)NCc2cn([C@H]3CC[NH2+]C3)nn2)C[NH2+]CCO1 ZINC001550087640 894530922 /nfs/dbraw/zinc/53/09/22/894530922.db2.gz HNEXYBTZOWFRNT-WCQYABFASA-N 2 0 294.359 -1.193 20 0 CAADRP [NH3+][C@@H]1COCCN(C(=O)NC[C@H]2C[NH2+]CCCO2)C1 ZINC001550266680 894533176 /nfs/dbraw/zinc/53/31/76/894533176.db2.gz FXWHHKUECKPFBV-WDEREUQCSA-N 2 0 272.349 -1.266 20 0 CAADRP COC[C@@]1(C(=O)NC23CC(C[NH3+])(C2)C3)C[NH2+]CCO1 ZINC001550117933 894533203 /nfs/dbraw/zinc/53/32/03/894533203.db2.gz LDRQJTPTTQZMBR-WXRRBKDZSA-N 2 0 269.345 -1.011 20 0 CAADRP CO[C@H](C[NH3+])C(=O)N1CC[C@@H](N2CC[NH+](C)CC2)C1 ZINC001550192255 894533474 /nfs/dbraw/zinc/53/34/74/894533474.db2.gz FWQWVINTXCIQJC-VXGBXAGGSA-N 2 0 270.377 -1.192 20 0 CAADRP CO[C@@H](C[NH3+])C(=O)N1CC[C@H](N2CC[NH+](C)CC2)C1 ZINC001550192253 894533560 /nfs/dbraw/zinc/53/35/60/894533560.db2.gz FWQWVINTXCIQJC-RYUDHWBXSA-N 2 0 270.377 -1.192 20 0 CAADRP O=C(NCC12CC(C1)C[NH2+]2)N1CC[NH2+]C[C@@H](O)C1 ZINC001550735985 894537268 /nfs/dbraw/zinc/53/72/68/894537268.db2.gz OCBAWIXFPUTYGZ-SQLBVSGCSA-N 2 0 254.334 -1.286 20 0 CAADRP COC[C@H]1C[NH2+]CCN1C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC001550731889 894537451 /nfs/dbraw/zinc/53/74/51/894537451.db2.gz PARMOAUYJIGYTA-VXGBXAGGSA-N 2 0 286.376 -1.005 20 0 CAADRP O=C(NCC12CC(C1)C[NH2+]2)N1CC[NH2+]C[C@H](O)C1 ZINC001550735992 894537561 /nfs/dbraw/zinc/53/75/61/894537561.db2.gz OCBAWIXFPUTYGZ-YZRBJQDESA-N 2 0 254.334 -1.286 20 0 CAADRP CNC(=O)[C@@]12C[N@@H+]([C@@H]3C[C@@H]([NH3+])C[C@H]3O)C[C@H]1COCC2 ZINC001551405347 894537785 /nfs/dbraw/zinc/53/77/85/894537785.db2.gz ARJXUTZTKXDHKP-KSFQGOMNSA-N 2 0 283.372 -1.079 20 0 CAADRP O=C(NC[C@@H]1C[NH2+]CCCO1)N[C@@H]1C[NH2+]C[C@@H]1F ZINC001550732895 894537840 /nfs/dbraw/zinc/53/78/40/894537840.db2.gz VJWGGHRVQXNDFF-LPEHRKFASA-N 2 0 260.313 -1.026 20 0 CAADRP [NH3+][C@]1(CO)CCCN(C(=O)NC[C@H]2C[NH2+]CCCO2)C1 ZINC001550730261 894537864 /nfs/dbraw/zinc/53/78/64/894537864.db2.gz GNJVIJHVYOUVLA-DGCLKSJQSA-N 2 0 286.376 -1.140 20 0 CAADRP O=S(=O)(N[C@@]12CCC[C@H]1C[NH2+]C2)N1CC[NH2+]CC1 ZINC001551391862 894538016 /nfs/dbraw/zinc/53/80/16/894538016.db2.gz HHVHTUBEUSMYBX-WDEREUQCSA-N 2 0 274.390 -1.132 20 0 CAADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)[C@@]23C[NH2+]C[C@H]2COC3)CCO1 ZINC001552195287 894542855 /nfs/dbraw/zinc/54/28/55/894542855.db2.gz RQKUMQUMBIBJHB-MRBYEJRBSA-N 2 0 269.345 -1.203 20 0 CAADRP O=C(N[C@@H]1CC[NH2+]C1)c1cn([C@H]2CC[NH2+]C2)nn1 ZINC001552162560 894542981 /nfs/dbraw/zinc/54/29/81/894542981.db2.gz BKLLPMUWIACSDX-BDAKNGLRSA-N 2 0 250.306 -1.096 20 0 CAADRP CO[C@H]1C[NH2+]C[C@H]1c1cn(CC(=O)N2CC[NH2+]CC2)nn1 ZINC001552163151 894543080 /nfs/dbraw/zinc/54/30/80/894543080.db2.gz ULTZPDPOCSNGEM-JQWIXIFHSA-N 2 0 294.359 -1.588 20 0 CAADRP CO[C@H]1C[NH2+]C[C@H]1c1cn(CC(=O)N(C)CC[NH3+])nn1 ZINC001552089747 894543122 /nfs/dbraw/zinc/54/31/22/894543122.db2.gz IDLDPZTYXMEIKB-ONGXEEELSA-N 2 0 282.348 -1.603 20 0 CAADRP CO[C@@H]1C[NH2+]C[C@H]1c1cn(CC(=O)NCC(C)(C)[NH3+])nn1 ZINC001552160203 894543186 /nfs/dbraw/zinc/54/31/86/894543186.db2.gz BRUAKLQJEAEATI-GXSJLCMTSA-N 2 0 296.375 -1.167 20 0 CAADRP O=C(NCCN1CC[NH2+]CC1)[C@@H]1C[NH2+]CCOC1 ZINC001552162687 894543406 /nfs/dbraw/zinc/54/34/06/894543406.db2.gz DZXUSKZTOSNEEK-LLVKDONJSA-N 2 0 256.350 -1.756 20 0 CAADRP O=C(NCCN1CC[NH2+]CC1)[C@]12C[NH2+]C[C@@H]1COC2 ZINC001552194014 894543496 /nfs/dbraw/zinc/54/34/96/894543496.db2.gz IPSFYMVHZQWMTE-YPMHNXCESA-N 2 0 268.361 -1.756 20 0 CAADRP CO[C@@H]1C[NH2+]C[C@H]1c1cn(CC(=O)NC(C)(C)C[NH3+])nn1 ZINC001552163943 894544105 /nfs/dbraw/zinc/54/41/05/894544105.db2.gz ZNGGMNGNYLSSKQ-GXSJLCMTSA-N 2 0 296.375 -1.167 20 0 CAADRP CN(CCN1CC[NH2+]CC1)C(=O)[C@@]12C[NH2+]C[C@@H]1COC2 ZINC001552195296 894544328 /nfs/dbraw/zinc/54/43/28/894544328.db2.gz ZNCRCHUHBCRJEP-TZMCWYRMSA-N 2 0 282.388 -1.414 20 0 CAADRP CN1CCN(C(=O)c2cn([C@H]3CC[NH2+]C3)nn2)[C@H](C[NH3+])C1 ZINC001552161064 894544412 /nfs/dbraw/zinc/54/44/12/894544412.db2.gz KOARRVFEBZHBSV-WDEREUQCSA-N 2 0 293.375 -1.473 20 0 CAADRP O=C(NCCN1CC[NH2+]CC1)c1cn([C@@H]2CC[NH2+]C2)nn1 ZINC001552163802 894544463 /nfs/dbraw/zinc/54/44/63/894544463.db2.gz WIKAQDVXXBDDAZ-LLVKDONJSA-N 2 0 293.375 -1.553 20 0 CAADRP O=C([C@@H]1C[NH2+]CCOC1)N1CCO[C@@H]2C[NH2+]C[C@H]21 ZINC001552090742 894544562 /nfs/dbraw/zinc/54/45/62/894544562.db2.gz SYQRFGFJCVIFPI-GMTAPVOTSA-N 2 0 255.318 -1.578 20 0 CAADRP CO[C@H]1C[NH2+]C[C@H]1c1cn(CC(=O)NCC(C)(C)[NH3+])nn1 ZINC001552160206 894544648 /nfs/dbraw/zinc/54/46/48/894544648.db2.gz BRUAKLQJEAEATI-ONGXEEELSA-N 2 0 296.375 -1.167 20 0 CAADRP CO[C@@H]1C[NH2+]C[C@@H]1c1cn(CC(=O)N(C)[C@@H](C)C[NH3+])nn1 ZINC001552163155 894544744 /nfs/dbraw/zinc/54/47/44/894544744.db2.gz WFCRWFFYRWMYKM-HOSYDEDBSA-N 2 0 296.375 -1.215 20 0 CAADRP CN(CCN1CC[NH2+]CC1)C(=O)[C@@H]1C[NH2+]CCOC1 ZINC001552163010 894544780 /nfs/dbraw/zinc/54/47/80/894544780.db2.gz IVTYSDVGHBFTRS-GFCCVEGCSA-N 2 0 270.377 -1.414 20 0 CAADRP CO[C@H]1C[NH2+]C[C@@H]1c1cn(CC(=O)NCC(C)(C)[NH3+])nn1 ZINC001552160204 894545388 /nfs/dbraw/zinc/54/53/88/894545388.db2.gz BRUAKLQJEAEATI-KOLCDFICSA-N 2 0 296.375 -1.167 20 0 CAADRP O=C(CNC(=O)[C@@]12C[NH2+]C[C@H]1COC2)N1CC[NH2+]CC1 ZINC001552194707 894545472 /nfs/dbraw/zinc/54/54/72/894545472.db2.gz PLWBGHDQEBGMQG-GXFFZTMASA-N 2 0 282.344 -2.230 20 0 CAADRP CC[NH+]1CCN(CCNC(=O)[C@@]23C[NH2+]C[C@H]2COC3)CC1 ZINC001552203258 894546230 /nfs/dbraw/zinc/54/62/30/894546230.db2.gz XERHBYGVJNDPCG-DZGCQCFKSA-N 2 0 296.415 -1.024 20 0 CAADRP CC[NH+]1CCN(CCNC(=O)[C@]23C[NH2+]C[C@@H]2COC3)CC1 ZINC001552203259 894547030 /nfs/dbraw/zinc/54/70/30/894547030.db2.gz XERHBYGVJNDPCG-HIFRSBDPSA-N 2 0 296.415 -1.024 20 0 CAADRP O=C(N1CCN([C@@H]2CC[NH2+]C2)CC1)[C@@]12C[NH2+]C[C@H]1COC2 ZINC001552202523 894547466 /nfs/dbraw/zinc/54/74/66/894547466.db2.gz IKNMAZKJYODHCU-GZBFAFLISA-N 2 0 294.399 -1.272 20 0 CAADRP [NH3+][C@@H]1C[C@@H]2CN(C(=O)[C@]34C[NH2+]C[C@@H]3COC4)CCN2C1=O ZINC001552212975 894550139 /nfs/dbraw/zinc/55/01/39/894550139.db2.gz MZSYMIHMUYKEJO-BIAAXOCRSA-N 2 0 294.355 -2.007 20 0 CAADRP [NH3+][C@@H]1COCCN(C(=O)[C@@]23C[NH2+]C[C@@H]2COC3)C1 ZINC001552261611 894550179 /nfs/dbraw/zinc/55/01/79/894550179.db2.gz QJYOUTFTZCIOIQ-JFGNBEQYSA-N 2 0 255.318 -1.592 20 0 CAADRP [NH3+]CC1(O)CCN(C(=O)[C@]23C[NH2+]C[C@@H]2COC3)CC1 ZINC001552203938 894550187 /nfs/dbraw/zinc/55/01/87/894550187.db2.gz JGKCPILHTYBCKX-MFKMUULPSA-N 2 0 269.345 -1.465 20 0 CAADRP [NH3+][C@@H]1C[C@@H]2CN(C(=O)[C@@]34C[NH2+]C[C@@H]3COC4)CCN2C1=O ZINC001552212977 894550204 /nfs/dbraw/zinc/55/02/04/894550204.db2.gz MZSYMIHMUYKEJO-ZHSDAYTOSA-N 2 0 294.355 -2.007 20 0 CAADRP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)[C@H]2C[NH2+]CCOC2)n1 ZINC001552217096 894550701 /nfs/dbraw/zinc/55/07/01/894550701.db2.gz ZXWKTWPMKKMKBS-QMMMGPOBSA-N 2 0 281.316 -1.507 20 0 CAADRP CO[C@@H]1C[NH2+]C[C@H]1c1cn(CC(=O)N(C)C[C@H](C)[NH3+])nn1 ZINC001552257541 894550823 /nfs/dbraw/zinc/55/08/23/894550823.db2.gz MKPUUWZHUONXDL-JBLDHEPKSA-N 2 0 296.375 -1.215 20 0 CAADRP O=C(NC[C@@H]1C[NH2+]CCO1)[C@@]12C[NH2+]C[C@@H]1COC2 ZINC001552203874 894550894 /nfs/dbraw/zinc/55/08/94/894550894.db2.gz IOEFEFPTEZLJTM-JFGNBEQYSA-N 2 0 255.318 -1.673 20 0 CAADRP [NH3+][C@@H]1COCCN(C(=O)[C@]23C[NH2+]C[C@H]2COC3)C1 ZINC001552261613 894551934 /nfs/dbraw/zinc/55/19/34/894551934.db2.gz QJYOUTFTZCIOIQ-NHCYSSNCSA-N 2 0 255.318 -1.592 20 0 CAADRP [NH3+][C@@H]1CN(C(=O)[C@]23C[NH2+]C[C@H]2COC3)C[C@H]1n1ccnn1 ZINC001552255684 894551814 /nfs/dbraw/zinc/55/18/14/894551814.db2.gz IXDJWZZRTDRTRO-WGBDABJCSA-N 2 0 292.343 -1.775 20 0 CAADRP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)[C@]23C[NH2+]C[C@@H]2COC3)n1 ZINC001552218835 894551991 /nfs/dbraw/zinc/55/19/91/894551991.db2.gz YCEDBMOSTFPUDA-OQPBUACISA-N 2 0 293.327 -1.507 20 0 CAADRP O=C(NC[C@@H]1COCC[NH2+]1)c1cn([C@@H]2CC[NH2+]C2)nn1 ZINC001552274638 894553420 /nfs/dbraw/zinc/55/34/20/894553420.db2.gz RELBTNOKDUBRGH-NXEZZACHSA-N 2 0 280.332 -1.469 20 0 CAADRP O=C(NC[C@H]1COCC[NH2+]1)c1cn([C@@H]2CC[NH2+]C2)nn1 ZINC001552274641 894554098 /nfs/dbraw/zinc/55/40/98/894554098.db2.gz RELBTNOKDUBRGH-VHSXEESVSA-N 2 0 280.332 -1.469 20 0 CAADRP [NH3+]CC1(NC(=O)[C@H]2C[NH2+]CCOC2)CCOCC1 ZINC001552275408 894554226 /nfs/dbraw/zinc/55/42/26/894554226.db2.gz YQXUVAMDPSXHFJ-JTQLQIEISA-N 2 0 257.334 -1.154 20 0 CAADRP [NH3+]C1(CNC(=O)[C@H]2C[NH2+]CCOC2)CCOCC1 ZINC001552273592 894554836 /nfs/dbraw/zinc/55/48/36/894554836.db2.gz HNOLXIAVDFGWKP-JTQLQIEISA-N 2 0 257.334 -1.154 20 0 CAADRP [NH3+]C1(CNC(=O)[C@@]23C[NH2+]C[C@H]2COC3)CCOCC1 ZINC001552274317 894555018 /nfs/dbraw/zinc/55/50/18/894555018.db2.gz LYMJMTMUVLLTPG-GXFFZTMASA-N 2 0 269.345 -1.154 20 0 CAADRP N[C@@H]1CN(C(=O)N[C@]23CCC[C@H]2[NH2+]CC3)C[C@@H]1[NH3+] ZINC001552961195 894557207 /nfs/dbraw/zinc/55/72/07/894557207.db2.gz ULUWXOCDKIQQNR-KLBPJQLPSA-N 2 0 253.350 -1.049 20 0 CAADRP N[C@@H]1CN(C(=O)N[C@]23CCC[C@H]2[NH2+]CC3)C[C@H]1[NH3+] ZINC001552961182 894557312 /nfs/dbraw/zinc/55/73/12/894557312.db2.gz ULUWXOCDKIQQNR-BFLSOPEQSA-N 2 0 253.350 -1.049 20 0 CAADRP N[C@@H]1CN(C(=O)N[C@]23CCC[C@@H]2[NH2+]CC3)C[C@@H]1[NH3+] ZINC001552961197 894557772 /nfs/dbraw/zinc/55/77/72/894557772.db2.gz ULUWXOCDKIQQNR-WYFGTUCQSA-N 2 0 253.350 -1.049 20 0 CAADRP [NH3+][C@@H]1CN(C[C@@H]2CCC3(C[NH2+]C3)O2)C[C@H]1n1ccnn1 ZINC001552681362 894557962 /nfs/dbraw/zinc/55/79/62/894557962.db2.gz VULOBLVMUBQHES-QJPTWQEYSA-N 2 0 278.360 -1.017 20 0 CAADRP O=C(CNC(=O)[C@@H]1C[C@@H]2OCC[C@@H]2[NH2+]1)N1CC[NH2+]CC1 ZINC001553403279 894558912 /nfs/dbraw/zinc/55/89/12/894558912.db2.gz XGSVRHISUDYSIE-DCAQKATOSA-N 2 0 282.344 -1.946 20 0 CAADRP C[N@@H+]1CC[C@]2(C(=O)NCCN3CC[NH2+]CC3)C[NH2+]C[C@@H]2C1 ZINC001553355810 894559193 /nfs/dbraw/zinc/55/91/93/894559193.db2.gz VYBPBIFADAXDDV-HIFRSBDPSA-N 3 0 295.431 -1.451 20 0 CAADRP CN(C)C(=O)CNC(=O)[C@@]12C[NH2+]C[C@@H]1C[N@H+](C)CC2 ZINC001553377840 894559391 /nfs/dbraw/zinc/55/93/91/894559391.db2.gz YBSGWJJEADKUFG-MFKMUULPSA-N 2 0 268.361 -1.268 20 0 CAADRP O=C(NCCN1CC[NH2+]CC1)[C@@H]1C[C@H]2OCC[C@@H]2[NH2+]1 ZINC001553401667 894559491 /nfs/dbraw/zinc/55/94/91/894559491.db2.gz KLKZZJTYEFMGCW-SDDRHHMPSA-N 2 0 268.361 -1.473 20 0 CAADRP O=C(NCCN1CC[NH2+]CC1)[C@@]12C[NH2+]C[C@@H]1COCC2 ZINC001553351829 894559506 /nfs/dbraw/zinc/55/95/06/894559506.db2.gz OSCDSAGRCWMDLE-OCCSQVGLSA-N 2 0 282.388 -1.366 20 0 CAADRP O=C(CNC(=O)[C@@H]1C[C@H]2OCC[C@H]2[NH2+]1)N1CC[NH2+]CC1 ZINC001553403286 894559763 /nfs/dbraw/zinc/55/97/63/894559763.db2.gz XGSVRHISUDYSIE-OUAUKWLOSA-N 2 0 282.344 -1.946 20 0 CAADRP O=C(NCCN1CC[NH2+]CC1)[C@@]12C[NH2+]C[C@H]1CCOC2 ZINC001553350881 894559812 /nfs/dbraw/zinc/55/98/12/894559812.db2.gz JVCCOELEIUAKQT-TZMCWYRMSA-N 2 0 282.388 -1.366 20 0 CAADRP O=C(NCCN1CC[NH2+]CC1)[C@@H]1[NH2+]CC12CCOCC2 ZINC001553356371 894560203 /nfs/dbraw/zinc/56/02/03/894560203.db2.gz XEZJWAKFUKFIGL-LBPRGKRZSA-N 2 0 282.388 -1.224 20 0 CAADRP CNC(=O)CNC(=O)[C@@]12C[NH2+]C[C@@H]1C[N@H+](C)CC2 ZINC001553398921 894560222 /nfs/dbraw/zinc/56/02/22/894560222.db2.gz CODIRKQPRLCXOX-SKDRFNHKSA-N 2 0 254.334 -1.610 20 0 CAADRP [NH3+][C@@H]1C[C@@H]2C[C@@H](C(=O)NCC(=O)N3CC[NH2+]CC3)C[C@@H]12 ZINC001553356316 894560748 /nfs/dbraw/zinc/56/07/48/894560748.db2.gz WPTOIZQMUCUCNG-IRCOFANPSA-N 2 0 280.372 -1.092 20 0 CAADRP O=C(NCCN1CC[NH2+]CC1)[C@@H]1C[C@@H]2OCC[C@H]2[NH2+]1 ZINC001553401669 894561060 /nfs/dbraw/zinc/56/10/60/894561060.db2.gz KLKZZJTYEFMGCW-WOPDTQHZSA-N 2 0 268.361 -1.473 20 0 CAADRP O=C(NCCN1CC[NH2+]CC1)[C@]12C[NH2+]C[C@@H]1CCOC2 ZINC001553350877 894561467 /nfs/dbraw/zinc/56/14/67/894561467.db2.gz JVCCOELEIUAKQT-JSGCOSHPSA-N 2 0 282.388 -1.366 20 0 CAADRP O=C(CNC(=O)[C@@]12C[NH2+]C[C@@H]1CCOC2)N1CC[NH2+]CC1 ZINC001553350706 894561551 /nfs/dbraw/zinc/56/15/51/894561551.db2.gz ISOBUJUEEAPKDI-SMDDNHRTSA-N 2 0 296.371 -1.840 20 0 CAADRP [NH3+][C@@H]1C[C@@H]2C[N@H+](C[C@H]3C[C@]4(CC[NH2+]C4)CO3)CCN2C1=O ZINC001553304917 894561592 /nfs/dbraw/zinc/56/15/92/894561592.db2.gz PABKHVZTTVURHU-BHPKHCPMSA-N 3 0 294.399 -1.001 20 0 CAADRP CC(=O)NCCNC(=O)[C@@]12C[NH2+]C[C@H]1C[N@H+](C)CC2 ZINC001553368745 894561623 /nfs/dbraw/zinc/56/16/23/894561623.db2.gz MYIUMYFMQICERO-AAEUAGOBSA-N 2 0 268.361 -1.220 20 0 CAADRP O=C(NCCN1CC[NH2+]CC1)[C@]12C[NH2+]C[C@@H]1COCC2 ZINC001553351831 894561702 /nfs/dbraw/zinc/56/17/02/894561702.db2.gz OSCDSAGRCWMDLE-TZMCWYRMSA-N 2 0 282.388 -1.366 20 0 CAADRP CNC(=O)CNC(=O)[C@@]12C[NH2+]C[C@H]1C[N@H+](C)CC2 ZINC001553398919 894561762 /nfs/dbraw/zinc/56/17/62/894561762.db2.gz CODIRKQPRLCXOX-CABZTGNLSA-N 2 0 254.334 -1.610 20 0 CAADRP O=C(NCCN1CC[NH2+]CC1)[C@@H]1C[C@H]2OCC[C@H]2[NH2+]1 ZINC001553401666 894562117 /nfs/dbraw/zinc/56/21/17/894562117.db2.gz KLKZZJTYEFMGCW-GRYCIOLGSA-N 2 0 268.361 -1.473 20 0 CAADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)[C@@H]1C[C@@H]2OCC[C@@H]2[NH2+]1 ZINC001553410703 894563806 /nfs/dbraw/zinc/56/38/06/894563806.db2.gz PDXJAETUOLGYAY-VOAKCMCISA-N 2 0 282.388 -1.132 20 0 CAADRP [NH3+][C@@H]1COCCN(C(=O)[C@@H]2C[C@H]3OCC[C@H]3[NH2+]2)C1 ZINC001553429827 894563946 /nfs/dbraw/zinc/56/39/46/894563946.db2.gz LECGKECDPZQDDC-ZRUFSTJUSA-N 2 0 255.318 -1.308 20 0 CAADRP O=C(NC[C@@H]1C[NH2+]CCO1)[C@@H]1C[C@H]2OCC[C@H]2[NH2+]1 ZINC001553408021 894564401 /nfs/dbraw/zinc/56/44/01/894564401.db2.gz IWYJEQWUXDVFKJ-ZRUFSTJUSA-N 2 0 255.318 -1.390 20 0 CAADRP O=C([C@@H]1C[C@@H]2OCC[C@@H]2[NH2+]1)N1CC[NH2+]C[C@@H](O)C1 ZINC001553429119 894565758 /nfs/dbraw/zinc/56/57/58/894565758.db2.gz POQBDMDBQYBHFZ-RCWTZXSCSA-N 2 0 255.318 -1.702 20 0 CAADRP [NH3+][C@@]12CC[C@@H]1CN(C(=O)NCC(=O)N1CC[NH2+]CC1)C2 ZINC001553488342 894567056 /nfs/dbraw/zinc/56/70/56/894567056.db2.gz BTDGJGNGDWHBRW-ZWNOBZJWSA-N 2 0 281.360 -1.449 20 0 CAADRP [NH3+][C@@H]1CN(C(=O)[C@@H]2C[C@@H]3OCC[C@H]3[NH2+]2)C[C@@H]1n1ccnn1 ZINC001553437078 894567730 /nfs/dbraw/zinc/56/77/30/894567730.db2.gz YGXFQECYXJBQGH-GCHJQGSQSA-N 2 0 292.343 -1.492 20 0 CAADRP O=C(CNC(=O)N1CCC[C@]12CC[NH2+]C2)N1CC[NH2+]CC1 ZINC001553491500 894567796 /nfs/dbraw/zinc/56/77/96/894567796.db2.gz LCDURYCALIWZPN-CQSZACIVSA-N 2 0 295.387 -1.044 20 0 CAADRP N[C@@H]1CN(C(=O)N[C@]23CCC[C@@H]2C[NH2+]C3)C[C@@H]1[NH3+] ZINC001553529192 894568442 /nfs/dbraw/zinc/56/84/42/894568442.db2.gz PNBXDRQRSMIHSS-SVDPJWKOSA-N 2 0 253.350 -1.192 20 0 CAADRP CN1CC[N@H+](C)CC(C(=O)N[C@H]2C[NH+](C)C[C@H]2O)C1 ZINC001553647654 894568525 /nfs/dbraw/zinc/56/85/25/894568525.db2.gz HDBRWJAMVTUHKQ-NWDGAFQWSA-N 2 0 270.377 -1.729 20 0 CAADRP CN1CC[N@H+](C)CC(C(=O)N[C@@H]2C[NH+](C)C[C@@H]2O)C1 ZINC001553647653 894568698 /nfs/dbraw/zinc/56/86/98/894568698.db2.gz HDBRWJAMVTUHKQ-NEPJUHHUSA-N 2 0 270.377 -1.729 20 0 CAADRP [NH3+][C@]1(CO)CCCN(C(=O)[C@@H]2C[C@H]3OCC[C@@H]3[NH2+]2)C1 ZINC001553437838 894569249 /nfs/dbraw/zinc/56/92/49/894569249.db2.gz ZUKMHRJPHCIEKX-MEWQQHAOSA-N 2 0 269.345 -1.182 20 0 CAADRP C[NH+](C)CCN1C[C@H](C(=O)NCC2C[NH2+]C2)CC1=O ZINC000261732467 230221721 /nfs/dbraw/zinc/22/17/21/230221721.db2.gz AJPHVVIAHSOCHG-LLVKDONJSA-N 2 0 268.361 -1.268 20 0 CAADRP C[NH+](C)CCN1C[C@@H](C(=O)NCC2C[NH2+]C2)CC1=O ZINC000261732469 230222338 /nfs/dbraw/zinc/22/23/38/230222338.db2.gz AJPHVVIAHSOCHG-NSHDSACASA-N 2 0 268.361 -1.268 20 0 CAADRP [NH3+]CC(=O)NCC(=O)N1CC[NH+](C2CCC2)CC1 ZINC000262236920 230226242 /nfs/dbraw/zinc/22/62/42/230226242.db2.gz OQGNGYNLNXETGS-UHFFFAOYSA-N 2 0 254.334 -1.242 20 0 CAADRP O=C(C[NH+]1CCCC1)N1CCN(C(=O)C2C[NH2+]C2)CC1 ZINC000262250521 230226458 /nfs/dbraw/zinc/22/64/58/230226458.db2.gz PLJZUJBZUJVPFZ-UHFFFAOYSA-N 2 0 280.372 -1.028 20 0 CAADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000262545010 230228196 /nfs/dbraw/zinc/22/81/96/230228196.db2.gz RUGFGXBCMJDHLA-IJLUTSLNSA-N 2 0 271.361 -1.064 20 0 CAADRP COCCC[N@H+](C)CCNC(=O)C(=O)N1CC[NH2+]CC1 ZINC000419448396 230254414 /nfs/dbraw/zinc/25/44/14/230254414.db2.gz IKJDGFSPZUDUCC-UHFFFAOYSA-N 2 0 286.376 -1.497 20 0 CAADRP NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)[C@@H]1C[NH2+]CCO1 ZINC000430904688 230310284 /nfs/dbraw/zinc/31/02/84/230310284.db2.gz UXAMRMHGVURGTK-QWRGUYRKSA-N 2 0 284.360 -1.569 20 0 CAADRP CN1C[C@@H]([NH2+][C@@H]2CC(=O)N(CC[NH+](C)C)C2=O)CCC1=O ZINC000573455287 334939322 /nfs/dbraw/zinc/93/93/22/334939322.db2.gz GVXMERVLQHCECB-WDEREUQCSA-N 2 0 296.371 -1.114 20 0 CAADRP C[C@H]([NH3+])CNC(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000194916580 545591943 /nfs/dbraw/zinc/59/19/43/545591943.db2.gz SWKWFNHZDQWAJG-VHSXEESVSA-N 2 0 256.350 -1.140 20 0 CAADRP 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 545598699 /nfs/dbraw/zinc/59/86/99/545598699.db2.gz DFDUAOXDIGMPGT-ZWTHYHLESA-N 2 0 286.372 -1.602 20 0 CAADRP COCC[NH2+]CCNC(=O)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000574276275 335006168 /nfs/dbraw/zinc/00/61/68/335006168.db2.gz SBSIKWLYAFLHOH-LLVKDONJSA-N 2 0 296.375 -1.004 20 0 CAADRP O=C([C@H]1C[NH2+]CCO1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000343643251 296138099 /nfs/dbraw/zinc/13/80/99/296138099.db2.gz PVHYAIKYIAACKC-NWDGAFQWSA-N 2 0 268.361 -1.519 20 0 CAADRP COC(=O)C[C@H]([NH3+])C(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000574399007 335016244 /nfs/dbraw/zinc/01/62/44/335016244.db2.gz SYFQGXIDCJRECN-BQBZGAKWSA-N 2 0 265.260 -1.010 20 0 CAADRP COC(=O)C[C@H]([NH3+])C(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000574399008 335016323 /nfs/dbraw/zinc/01/63/23/335016323.db2.gz SYFQGXIDCJRECN-NKWVEPMBSA-N 2 0 265.260 -1.010 20 0 CAADRP CC(C)[C@H]([NH3+])C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000574414427 335018042 /nfs/dbraw/zinc/01/80/42/335018042.db2.gz RIOYHDZNIDMRTB-GUBZILKMSA-N 2 0 254.334 -1.260 20 0 CAADRP C[C@H]1C[C@H](NC(=O)C(=O)NC2C[NH2+]C2)C[N@@H+]1C1CC1 ZINC000642718075 372807733 /nfs/dbraw/zinc/80/77/33/372807733.db2.gz AQDQRJQRZLTVSS-IUCAKERBSA-N 2 0 266.345 -1.184 20 0 CAADRP CC[NH2+][C@H](C)CNC(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000584052665 372813428 /nfs/dbraw/zinc/81/34/28/372813428.db2.gz YGJYHHDVDDUJNM-ZJUUUORDSA-N 2 0 256.350 -1.031 20 0 CAADRP COCC[N@H+](C)CCNC(=O)C(=O)N[C@@H](C)C[C@@H](C)[NH3+] ZINC000584053731 372815015 /nfs/dbraw/zinc/81/50/15/372815015.db2.gz WGIBBGAPPAXSMM-MNOVXSKESA-N 2 0 288.392 -1.077 20 0 CAADRP COCC[N@H+](C)C[C@@H](O)CN1CC[NH+](CCO)C[C@@H]1C ZINC000568181077 372839292 /nfs/dbraw/zinc/83/92/92/372839292.db2.gz JUZRRWPTCJCDKB-UONOGXRCSA-N 2 0 289.420 -1.076 20 0 CAADRP CC[N@@H+]1CC[C@H]2OCCN(c3nc(N)[nH+]c(N)n3)[C@H]2C1 ZINC000624245418 372844250 /nfs/dbraw/zinc/84/42/50/372844250.db2.gz BZPWRCYJJDYWND-DTWKUNHWSA-N 2 0 279.348 -1.004 20 0 CAADRP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)NC1C[NH2+]C1 ZINC000557250828 372849121 /nfs/dbraw/zinc/84/91/21/372849121.db2.gz GVWRQQOVQPQIER-VIFPVBQESA-N 2 0 256.350 -1.079 20 0 CAADRP [NH3+]CC(=O)NCC(=O)N1CC[NH+](CC2CC2)CC1 ZINC000037816852 372908117 /nfs/dbraw/zinc/90/81/17/372908117.db2.gz RQEWWPTYZGPBAL-UHFFFAOYSA-N 2 0 254.334 -1.385 20 0 CAADRP CC(C)C[NH+]1CCN(C(=O)CNC(=O)C[NH3+])CC1 ZINC000037821738 372909847 /nfs/dbraw/zinc/90/98/47/372909847.db2.gz FZBJJUVCXUTKBU-UHFFFAOYSA-N 2 0 256.350 -1.139 20 0 CAADRP C[NH2+]CC(=O)NCCN1CCN(c2ncccn2)CC1 ZINC000237224472 372915391 /nfs/dbraw/zinc/91/53/91/372915391.db2.gz LGQNOGUNBFDNJI-UHFFFAOYSA-N 2 0 278.360 -1.066 20 0 CAADRP COCCCNC(=O)[C@@H](C)N1CCN(C(=O)C[NH3+])CC1 ZINC000237214619 372915471 /nfs/dbraw/zinc/91/54/71/372915471.db2.gz QBLNXBLCBFMQSF-LLVKDONJSA-N 2 0 286.376 -1.370 20 0 CAADRP O=C(NC1C[NH2+]C1)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000562825474 372951776 /nfs/dbraw/zinc/95/17/76/372951776.db2.gz NMEWHOIKTYZEDP-WDEREUQCSA-N 2 0 266.345 -1.183 20 0 CAADRP O=C(NC1C[NH2+]C1)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000642925894 372925580 /nfs/dbraw/zinc/92/55/80/372925580.db2.gz JJOYFCOCCPOMBG-UHFFFAOYSA-N 2 0 289.339 -1.182 20 0 CAADRP CN(CC(=O)N1CC[NH2+]CC1)C(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000575123466 372952951 /nfs/dbraw/zinc/95/29/51/372952951.db2.gz INPHXYIRLABECW-AOOOYVTPSA-N 2 0 254.334 -1.386 20 0 CAADRP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C(=O)NC1C[NH2+]C1 ZINC000642926318 372926132 /nfs/dbraw/zinc/92/61/32/372926132.db2.gz GNCXAYVPZIGBOQ-GFCCVEGCSA-N 2 0 298.387 -1.356 20 0 CAADRP CCN(CCC[NH+](C)C)C(=O)C(=O)NC1C[NH2+]C1 ZINC000562827587 372953060 /nfs/dbraw/zinc/95/30/60/372953060.db2.gz HMSXIRAUHYGIOI-UHFFFAOYSA-N 2 0 256.350 -1.125 20 0 CAADRP C[NH+]1CCC(NS(=O)(=O)C[C@H]2C[NH2+]CCO2)CC1 ZINC000385722165 372931074 /nfs/dbraw/zinc/93/10/74/372931074.db2.gz NESKPHVUTIZTGG-LLVKDONJSA-N 2 0 277.390 -1.012 20 0 CAADRP C[C@]1(C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)CC[NH2+]C1 ZINC000566573044 372935517 /nfs/dbraw/zinc/93/55/17/372935517.db2.gz VYMXBXYCCPGPCY-CWSCBRNRSA-N 2 0 266.345 -1.244 20 0 CAADRP COC[C@]1(C(=O)NC[C@H]2C[NH2+]CCO2)CCC[NH2+]1 ZINC000643801267 372936457 /nfs/dbraw/zinc/93/64/57/372936457.db2.gz VHRGKIHEBVWGNQ-PWSUYJOCSA-N 2 0 257.334 -1.140 20 0 CAADRP C[NH2+]CC(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000572600870 372940245 /nfs/dbraw/zinc/94/02/45/372940245.db2.gz QMVLJQARQCDCSG-LLVKDONJSA-N 2 0 268.361 -1.124 20 0 CAADRP CN1CC[NH2+]C[C@@H]1CNC(=O)CCOC1C[NH2+]C1 ZINC000572952382 372961976 /nfs/dbraw/zinc/96/19/76/372961976.db2.gz LRDAYGFAANFXEH-SNVBAGLBSA-N 2 0 256.350 -1.615 20 0 CAADRP NC(=O)NC(=O)CC[NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000572714732 372962513 /nfs/dbraw/zinc/96/25/13/372962513.db2.gz WOSWYRHMSVZPHH-JTQLQIEISA-N 2 0 299.375 -1.252 20 0 CAADRP [NH3+][C@H]1C[C@@H]2CN(C(=O)CCOC3C[NH2+]C3)CCN2C1=O ZINC000583452190 372962885 /nfs/dbraw/zinc/96/28/85/372962885.db2.gz WIXDWUNGMCGLCT-KOLCDFICSA-N 2 0 282.344 -1.865 20 0 CAADRP C[NH+](C)[C@H]1CN(C(=O)[C@H]2C[N@@H+]3CCC[C@H]3CO2)C[C@@H]1O ZINC000635948170 372978397 /nfs/dbraw/zinc/97/83/97/372978397.db2.gz JRLIIRRPHPMZCI-ZDEQEGDKSA-N 2 0 283.372 -1.017 20 0 CAADRP O=C(CNC(=O)[C@H]1CCCC[NH2+]1)N1CC[NH2+]CC1 ZINC000572643020 372992952 /nfs/dbraw/zinc/99/29/52/372992952.db2.gz GMMPGAQICCJNIB-SNVBAGLBSA-N 2 0 254.334 -1.324 20 0 CAADRP COC(=O)C[C@H]1C(=O)NCCN1CCOCC[NH3+] ZINC000570632929 372999859 /nfs/dbraw/zinc/99/98/59/372999859.db2.gz LMCWKDUIALKLOG-VIFPVBQESA-N 2 0 259.306 -1.675 20 0 CAADRP CN(C(=O)CNC(=O)[C@H]1CCC[NH2+]1)C1CC([NH3+])C1 ZINC000570800248 373001287 /nfs/dbraw/zinc/00/12/87/373001287.db2.gz IUONSJFGMKLUQA-UDNWOFFPSA-N 2 0 254.334 -1.197 20 0 CAADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000570841589 373004445 /nfs/dbraw/zinc/00/44/45/373004445.db2.gz IJPWBVCYHXQVQR-OUAUKWLOSA-N 2 0 268.361 -1.031 20 0 CAADRP CC1CC[NH+](C[C@H](O)CNC(=O)CNC(=O)C[NH3+])CC1 ZINC000569719997 372983862 /nfs/dbraw/zinc/98/38/62/372983862.db2.gz KEZHIOIDJOQFRJ-LLVKDONJSA-N 2 0 286.376 -1.730 20 0 CAADRP CNS(=O)(=O)[C@H]1CCC[N@H+](CCOCC[NH3+])C1 ZINC000569972248 372986329 /nfs/dbraw/zinc/98/63/29/372986329.db2.gz TZRAXMSOKVBPKS-JTQLQIEISA-N 2 0 265.379 -1.025 20 0 CAADRP C[NH+](C)[C@@]1(CNc2nc(N)[nH+]c(N)n2)CCSC1 ZINC000624017845 373028608 /nfs/dbraw/zinc/02/86/08/373028608.db2.gz GIJSBLJPTKJGCH-SNVBAGLBSA-N 2 0 269.378 -1.032 20 0 CAADRP C[NH+](C)[C@]1(CNc2nc(N)[nH+]c(N)n2)CCSC1 ZINC000624017844 373030059 /nfs/dbraw/zinc/03/00/59/373030059.db2.gz GIJSBLJPTKJGCH-JTQLQIEISA-N 2 0 269.378 -1.032 20 0 CAADRP O[C@H](CN1CCOCC1)C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000311017651 373037367 /nfs/dbraw/zinc/03/73/67/373037367.db2.gz LBIFMAFSIXLLDC-RWMBFGLXSA-N 2 0 255.362 -1.169 20 0 CAADRP COC(=O)C[C@H]([NH3+])C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000580191063 373014546 /nfs/dbraw/zinc/01/45/46/373014546.db2.gz GOZHDAKKDWNKJL-QWRGUYRKSA-N 2 0 284.360 -1.617 20 0 CAADRP COC[C@]1(C(=O)N2CCO[C@H](C[NH3+])C2)CC[NH2+]C1 ZINC000580192777 373015352 /nfs/dbraw/zinc/01/53/52/373015352.db2.gz GRKLEQBXPKNBNX-PWSUYJOCSA-N 2 0 257.334 -1.201 20 0 CAADRP COC(=O)[C@H]1C[NH2+]CCCN1C(=O)[C@H]1C[NH2+]CCO1 ZINC000592547655 373074633 /nfs/dbraw/zinc/07/46/33/373074633.db2.gz IZXZTSHOFCESLA-NXEZZACHSA-N 2 0 271.317 -1.662 20 0 CAADRP COCC[NH2+]CC(=O)N1CCC[NH2+]C[C@H]1C(=O)OC ZINC000592547683 373074812 /nfs/dbraw/zinc/07/48/12/373074812.db2.gz JRQWKTFCGSZFIM-JTQLQIEISA-N 2 0 273.333 -1.414 20 0 CAADRP COC(=O)[C@@H]1C[NH2+]CCCN1CCC(=O)N1CC[NH2+]CC1 ZINC000592489797 373075129 /nfs/dbraw/zinc/07/51/29/373075129.db2.gz WEIDWANMEKQGLU-LBPRGKRZSA-N 2 0 298.387 -1.355 20 0 CAADRP COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)C[C@@H](C[NH3+])OC ZINC000592550598 373077189 /nfs/dbraw/zinc/07/71/89/373077189.db2.gz ABJAFXMNXVKWTK-UWVGGRQHSA-N 2 0 273.333 -1.286 20 0 CAADRP COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)C[C@@H]1COCC[NH2+]1 ZINC000592550621 373077368 /nfs/dbraw/zinc/07/73/68/373077368.db2.gz ALEMADDEWRBHKI-MNOVXSKESA-N 2 0 285.344 -1.272 20 0 CAADRP COC(=O)[C@H]1C[NH2+]CCCN1C(=O)C[C@@H]1C[NH2+]CCO1 ZINC000592548394 373077733 /nfs/dbraw/zinc/07/77/33/373077733.db2.gz OQQLNYYVRRXJCF-GHMZBOCLSA-N 2 0 285.344 -1.272 20 0 CAADRP [NH3+][C@H]1C[C@@H]2CN(C(=O)[C@@H]3C[C@H]4C[C@H]4[NH2+]3)CCN2C1=O ZINC000594879628 373106629 /nfs/dbraw/zinc/10/66/29/373106629.db2.gz CKHDWDPXZIMQLB-NZFPMDFQSA-N 2 0 264.329 -1.493 20 0 CAADRP [NH3+][C@H]1C[C@H]2CN(C(=O)CC[NH2+]C3CC3)CCN2C1=O ZINC000594878055 373106642 /nfs/dbraw/zinc/10/66/42/373106642.db2.gz BVNAGWROYRORMI-QWRGUYRKSA-N 2 0 266.345 -1.101 20 0 CAADRP COC[C@]1(C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)CCC[NH2+]1 ZINC000594878323 373106702 /nfs/dbraw/zinc/10/67/02/373106702.db2.gz ZLCHWPBVFXJBCN-WDMOLILDSA-N 2 0 296.371 -1.475 20 0 CAADRP [NH3+][C@@H]1C[C@@H]2CN(C(=O)C[C@H]3CCC[NH2+]3)CCN2C1=O ZINC000594873922 373106719 /nfs/dbraw/zinc/10/67/19/373106719.db2.gz SDWMIYNVBDNEBJ-GMTAPVOTSA-N 2 0 266.345 -1.101 20 0 CAADRP C[C@@H](C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1)[NH+](C)C ZINC000594880471 373106731 /nfs/dbraw/zinc/10/67/31/373106731.db2.gz NLZHTEKGVKEJOQ-AEJSXWLSSA-N 2 0 254.334 -1.293 20 0 CAADRP COC[C@]1(C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)CCC[NH2+]1 ZINC000594878316 373107133 /nfs/dbraw/zinc/10/71/33/373107133.db2.gz ZLCHWPBVFXJBCN-GYSYKLTISA-N 2 0 296.371 -1.475 20 0 CAADRP C[C@@H](C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1)[NH+](C)C ZINC000594880473 373107353 /nfs/dbraw/zinc/10/73/53/373107353.db2.gz NLZHTEKGVKEJOQ-IVZWLZJFSA-N 2 0 254.334 -1.293 20 0 CAADRP COC[C@]1(C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)CCC[NH2+]1 ZINC000594878320 373107439 /nfs/dbraw/zinc/10/74/39/373107439.db2.gz ZLCHWPBVFXJBCN-MJVIPROJSA-N 2 0 296.371 -1.475 20 0 CAADRP [NH3+][C@@H]1C[C@@H]2CN(C(=O)[C@@H]3C[C@H]4C[C@H]4[NH2+]3)CCN2C1=O ZINC000594879626 373107686 /nfs/dbraw/zinc/10/76/86/373107686.db2.gz CKHDWDPXZIMQLB-ILAIQSSSSA-N 2 0 264.329 -1.493 20 0 CAADRP [NH3+][C@@H]1C[C@H]2CN(C(=O)C[C@@H]3CCC[NH2+]3)CCN2C1=O ZINC000594873921 373107702 /nfs/dbraw/zinc/10/77/02/373107702.db2.gz SDWMIYNVBDNEBJ-GARJFASQSA-N 2 0 266.345 -1.101 20 0 CAADRP [NH3+][C@H]1C[C@H]2CN(C(=O)[C@@H]3C[C@H]4C[C@H]4[NH2+]3)CCN2C1=O ZINC000594879627 373107845 /nfs/dbraw/zinc/10/78/45/373107845.db2.gz CKHDWDPXZIMQLB-KJPMQGKISA-N 2 0 264.329 -1.493 20 0 CAADRP CC(C)OC[C@H]([NH3+])C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000594879769 373107900 /nfs/dbraw/zinc/10/79/00/373107900.db2.gz PILPFWQSQFLLQI-MXWKQRLJSA-N 2 0 284.360 -1.491 20 0 CAADRP CC[C@H]([NH2+]C)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000594879374 373108006 /nfs/dbraw/zinc/10/80/06/373108006.db2.gz NIDPJJUIJTZYNA-AEJSXWLSSA-N 2 0 254.334 -1.245 20 0 CAADRP [NH3+][C@@H]1C[C@H]2CN(C(=O)NC[C@H]3CCC[NH2+]3)CCN2C1=O ZINC000595268460 373109021 /nfs/dbraw/zinc/10/90/21/373109021.db2.gz UORKJPIIOAMXPQ-OUAUKWLOSA-N 2 0 281.360 -1.308 20 0 CAADRP [NH3+]C[C@H](NC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1)C1CC1 ZINC000595268433 373109411 /nfs/dbraw/zinc/10/94/11/373109411.db2.gz TVVXRVGWWHOROK-VWYCJHECSA-N 2 0 281.360 -1.323 20 0 CAADRP [NH3+][C@@H]1C[C@H]2CN(C(=O)NCC[NH2+]C3CC3)CCN2C1=O ZINC000595267458 373109468 /nfs/dbraw/zinc/10/94/68/373109468.db2.gz LHXRKBVPHUEMGC-WDEREUQCSA-N 2 0 281.360 -1.308 20 0 CAADRP [NH3+][C@@H]1C[C@@H]2CN(C(=O)NC[C@@H]3CCC[NH2+]3)CCN2C1=O ZINC000595268459 373109643 /nfs/dbraw/zinc/10/96/43/373109643.db2.gz UORKJPIIOAMXPQ-HBNTYKKESA-N 2 0 281.360 -1.308 20 0 CAADRP [NH3+][C@H]1C[C@H]2CN(C(=O)NCC34CC(C3)C[NH2+]4)CCN2C1=O ZINC000595273193 373109772 /nfs/dbraw/zinc/10/97/72/373109772.db2.gz KGZYASBGQOQBNL-JXJNQWLDSA-N 2 0 293.371 -1.308 20 0 CAADRP [NH3+]C[C@H](NC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1)C1CC1 ZINC000595268432 373110244 /nfs/dbraw/zinc/11/02/44/373110244.db2.gz TVVXRVGWWHOROK-MXWKQRLJSA-N 2 0 281.360 -1.323 20 0 CAADRP C[NH2+]C[C@H](C)NC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000595276241 373111091 /nfs/dbraw/zinc/11/10/91/373111091.db2.gz WJGNOQBAHHKUQM-GUBZILKMSA-N 2 0 269.349 -1.452 20 0 CAADRP [NH3+][C@H]1C[C@@H]2CN(C(=O)NCC34CC(C3)C[NH2+]4)CCN2C1=O ZINC000595273195 373112248 /nfs/dbraw/zinc/11/22/48/373112248.db2.gz KGZYASBGQOQBNL-PYUIQPRZSA-N 2 0 293.371 -1.308 20 0 CAADRP CC[C@H]([NH3+])CNC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000595273818 373112490 /nfs/dbraw/zinc/11/24/90/373112490.db2.gz NGAQXMFXYFJHRN-IVZWLZJFSA-N 2 0 269.349 -1.323 20 0 CAADRP C[NH2+]C[C@H](C)NC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000595276243 373112983 /nfs/dbraw/zinc/11/29/83/373112983.db2.gz WJGNOQBAHHKUQM-IVZWLZJFSA-N 2 0 269.349 -1.452 20 0 CAADRP [NH3+][C@@H]1C[C@@H]2CN(C[C@@H]3CCC4(C[NH2+]C4)O3)CCN2C1=O ZINC000595902688 373123254 /nfs/dbraw/zinc/12/32/54/373123254.db2.gz GCZXHRMSAHTVJO-GRYCIOLGSA-N 2 0 280.372 -1.249 20 0 CAADRP [NH3+][C@@H]1C[C@H]2CN(C[C@H]3CCC4(C[NH2+]C4)O3)CCN2C1=O ZINC000595902690 373123405 /nfs/dbraw/zinc/12/34/05/373123405.db2.gz GCZXHRMSAHTVJO-QJPTWQEYSA-N 2 0 280.372 -1.249 20 0 CAADRP COC(=O)C1CC[NH+](CCCNC(=O)C2(O)C[NH2+]C2)CC1 ZINC000595956566 373124375 /nfs/dbraw/zinc/12/43/75/373124375.db2.gz RQTIAPVBCLGLNN-UHFFFAOYSA-N 2 0 299.371 -1.288 20 0 CAADRP [NH3+][C@@H]1C[C@@H]2CN(C(=O)[C@@]3(O)CCC[NH2+]C3)CCN2C1=O ZINC000595969026 373126609 /nfs/dbraw/zinc/12/66/09/373126609.db2.gz BEPZDRIVCFFACL-GIPNMCIBSA-N 2 0 282.344 -2.129 20 0 CAADRP [NH3+][C@H]1C[C@H](C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)C1 ZINC000595969871 373127385 /nfs/dbraw/zinc/12/73/85/373127385.db2.gz HZDONRBTOMLEOO-KYXWUPHJSA-N 2 0 252.318 -1.506 20 0 CAADRP [NH3+][C@H]1C[C@H](C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)C1 ZINC000595969872 373127808 /nfs/dbraw/zinc/12/78/08/373127808.db2.gz HZDONRBTOMLEOO-XKNYDFJKSA-N 2 0 252.318 -1.506 20 0 CAADRP C[NH+](C)CCOCCNC(=O)NCC[N@@H+]1CC[C@H](O)C1 ZINC000637079021 373226279 /nfs/dbraw/zinc/22/62/79/373226279.db2.gz RHGTUCVZEMPBOY-LBPRGKRZSA-N 2 0 288.392 -1.070 20 0 CAADRP C[C@@H]1C[C@H](NC(=O)CN2CCNCC2=O)CC[NH2+]1 ZINC000563109515 373218183 /nfs/dbraw/zinc/21/81/83/373218183.db2.gz JMBZSTZBBAVOCX-NXEZZACHSA-N 2 0 254.334 -1.325 20 0 CAADRP C[C@H]1C[C@@H](NC(=O)CN2CCNCC2=O)CC[NH2+]1 ZINC000563109521 373218687 /nfs/dbraw/zinc/21/86/87/373218687.db2.gz JMBZSTZBBAVOCX-UWVGGRQHSA-N 2 0 254.334 -1.325 20 0 CAADRP [NH3+]C[C@@H](NC(=O)CNC(=O)[C@@H]1CCC[NH2+]1)C1CC1 ZINC000563102308 373219791 /nfs/dbraw/zinc/21/97/91/373219791.db2.gz SGYXGYFAPJTMJS-VHSXEESVSA-N 2 0 254.334 -1.292 20 0 CAADRP C[NH+](C)CCOCCNC(=O)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000637079020 373226578 /nfs/dbraw/zinc/22/65/78/373226578.db2.gz RHGTUCVZEMPBOY-GFCCVEGCSA-N 2 0 288.392 -1.070 20 0 CAADRP CN(CC(=O)N1CC[NH2+]CC1)C(=O)[C@]12C[C@H]1CC[NH2+]2 ZINC000563146236 373222722 /nfs/dbraw/zinc/22/27/22/373222722.db2.gz KNKSSLRLRWEOQK-MFKMUULPSA-N 2 0 266.345 -1.371 20 0 CAADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000599941133 373186631 /nfs/dbraw/zinc/18/66/31/373186631.db2.gz WTRFVQZCPCBBPZ-ZRUFSTJUSA-N 2 0 281.360 -1.310 20 0 CAADRP [NH3+][C@@H]1C[C@@H]2CN(CC34CC(C3)C[NH2+]4)CCN2C1=O ZINC000602023455 373191312 /nfs/dbraw/zinc/19/13/12/373191312.db2.gz WLEKOCJFWADWLJ-QRVCZOOMSA-N 2 0 250.346 -1.018 20 0 CAADRP [NH3+][C@@H]1C[C@H]2CN(CC34CC(C3)C[NH2+]4)CCN2C1=O ZINC000602023436 373192745 /nfs/dbraw/zinc/19/27/45/373192745.db2.gz WLEKOCJFWADWLJ-PCQVFGIUSA-N 2 0 250.346 -1.018 20 0 CAADRP CN(C)C(=O)C[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000063179693 373198166 /nfs/dbraw/zinc/19/81/66/373198166.db2.gz NDNHGQQSRMLZDU-SNVBAGLBSA-N 2 0 256.350 -1.139 20 0 CAADRP C[C@H](C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1)[NH+](C)C ZINC000602526014 373200329 /nfs/dbraw/zinc/20/03/29/373200329.db2.gz NLZHTEKGVKEJOQ-UTLUCORTSA-N 2 0 254.334 -1.293 20 0 CAADRP C[C@H](C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1)[NH+](C)C ZINC000602526010 373200667 /nfs/dbraw/zinc/20/06/67/373200667.db2.gz NLZHTEKGVKEJOQ-KXUCPTDWSA-N 2 0 254.334 -1.293 20 0 CAADRP COC(=O)[C@H]1C[NH2+]CCCN1C(=O)CN1CC[NH2+]CC1 ZINC000602490607 373201170 /nfs/dbraw/zinc/20/11/70/373201170.db2.gz CYWJRBKXGCUVJZ-LLVKDONJSA-N 2 0 284.360 -1.745 20 0 CAADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)C1 ZINC000602526846 373202282 /nfs/dbraw/zinc/20/22/82/373202282.db2.gz PXIULIJZPCUWGX-DEKYYXRVSA-N 2 0 296.371 -1.476 20 0 CAADRP CNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000063180350 373256826 /nfs/dbraw/zinc/25/68/26/373256826.db2.gz MSEJZNJFMWANGF-UWVGGRQHSA-N 2 0 299.375 -1.383 20 0 CAADRP COCC[N@@H+]1CC[C@H](Nc2nc(N)[nH+]c(N)n2)C1 ZINC000623955028 373302424 /nfs/dbraw/zinc/30/24/24/373302424.db2.gz JPHHNYNKMQOGJJ-ZETCQYMHSA-N 2 0 253.310 -1.749 20 0 CAADRP CN1CCN(C(=O)[C@@H]2CC[C@H](C[NH3+])O2)[C@@H](C[NH3+])C1 ZINC000571639698 373313558 /nfs/dbraw/zinc/31/35/58/373313558.db2.gz FMPOLLNCDIOSLY-AXFHLTTASA-N 2 0 256.350 -1.406 20 0 CAADRP CO[C@H]1C[NH2+][C@@](C)(C(=O)NCCN2CC[NH2+]CC2)C1 ZINC000637812286 373350511 /nfs/dbraw/zinc/35/05/11/373350511.db2.gz WWGGETGPVNOUJW-DGCLKSJQSA-N 2 0 270.377 -1.225 20 0 CAADRP O=C(CNC(=O)[C@H]1C[N@@H+]2CCC[C@H]2CO1)N1CC[NH2+]CC1 ZINC000637812804 373350549 /nfs/dbraw/zinc/35/05/49/373350549.db2.gz CPBJWMDESDCRNI-NWDGAFQWSA-N 2 0 296.371 -1.602 20 0 CAADRP C[C@]1(C(=O)NCCCN2CC[NH2+]CC2)C[NH2+]CCO1 ZINC000637797782 373350802 /nfs/dbraw/zinc/35/08/02/373350802.db2.gz IZZUXOYPWISWGD-CYBMUJFWSA-N 2 0 270.377 -1.224 20 0 CAADRP C[C@]1(C(=O)NCC(=O)N2CC[NH2+]CC2)C[NH2+]CCO1 ZINC000637813139 373351783 /nfs/dbraw/zinc/35/17/83/373351783.db2.gz KTTRBMUBRPKJDB-GFCCVEGCSA-N 2 0 270.333 -2.087 20 0 CAADRP CO[C@H]1C[NH2+][C@](C)(C(=O)NCCN2CC[NH2+]CC2)C1 ZINC000637812288 373352341 /nfs/dbraw/zinc/35/23/41/373352341.db2.gz WWGGETGPVNOUJW-YPMHNXCESA-N 2 0 270.377 -1.225 20 0 CAADRP CO[C@H]1C[NH2+][C@@](C)(C(=O)N(C)CC(=O)N2CC[NH2+]CC2)C1 ZINC000637811408 373353015 /nfs/dbraw/zinc/35/30/15/373353015.db2.gz UJKXNTAWBPCEEL-BXUZGUMPSA-N 2 0 298.387 -1.356 20 0 CAADRP CN(CC(=O)N1CC[NH2+]CC1)C(=O)[C@]1(C)C[NH2+]CCO1 ZINC000637811571 373353457 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CN(CC(=O)N1CC[NH2+]CC1)C(=O)CN1CC[NH2+]CC1 ZINC000637811078 373354967 /nfs/dbraw/zinc/35/49/67/373354967.db2.gz QCFPVXOBMVNPKH-UHFFFAOYSA-N 2 0 283.376 -2.218 20 0 CAADRP CO[C@H]1C[NH2+][C@](C)(C(=O)NCC(=O)N2CC[NH2+]CC2)C1 ZINC000637811073 373355019 /nfs/dbraw/zinc/35/50/19/373355019.db2.gz QBJFZQBURPSUEU-MFKMUULPSA-N 2 0 284.360 -1.699 20 0 CAADRP CN1CCN(C(=O)CN2CC[NH2+]CC2)[C@H](C[NH3+])C1 ZINC000637864054 373357215 /nfs/dbraw/zinc/35/72/15/373357215.db2.gz KXHJACLDKMMDTL-LLVKDONJSA-N 2 0 255.366 -2.007 20 0 CAADRP CO[C@@H](C[NH3+])C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000353470359 373378806 /nfs/dbraw/zinc/37/88/06/373378806.db2.gz QUCMXZLQTRDGHU-LBPRGKRZSA-N 2 0 298.387 -1.273 20 0 CAADRP C[NH+](CCOCC[N@@H+](C)[C@@H]1CCNC1=O)[C@@H]1CCNC1=O ZINC000340225442 373401854 /nfs/dbraw/zinc/40/18/54/373401854.db2.gz JCXARJBMNLYAPU-VXGBXAGGSA-N 2 0 298.387 -1.356 20 0 CAADRP COC[C@]1(CNC(=O)[C@@H]2OCC[C@@H]2[NH3+])CCC[NH2+]1 ZINC000638230939 373402005 /nfs/dbraw/zinc/40/20/05/373402005.db2.gz XXFQFLQGEFUNBT-HOSYDEDBSA-N 2 0 257.334 -1.013 20 0 CAADRP [NH3+]CC[C@H](NC(=O)CN1CC[NH2+]CC1)C(F)F ZINC000638260418 373403419 /nfs/dbraw/zinc/40/34/19/373403419.db2.gz ZTPUMCJKEXAZGD-QMMMGPOBSA-N 2 0 250.293 -1.010 20 0 CAADRP C[C@@]1(C(=O)NC[C@H]2C[NH2+]CCCO2)C[NH2+]CCO1 ZINC000638265350 373404244 /nfs/dbraw/zinc/40/42/44/373404244.db2.gz LKGFGIGTWAHOEB-PWSUYJOCSA-N 2 0 257.334 -1.140 20 0 CAADRP [NH3+]CC[C@@H](NC(=O)CN1CC[NH2+]CC1)C(F)F ZINC000638260417 373404499 /nfs/dbraw/zinc/40/44/99/373404499.db2.gz ZTPUMCJKEXAZGD-MRVPVSSYSA-N 2 0 250.293 -1.010 20 0 CAADRP CN(CCCN1CC[NH+](C)CC1)C(=O)CN1CC[NH2+]CC1 ZINC000638279234 373405896 /nfs/dbraw/zinc/40/58/96/373405896.db2.gz OSXBRSAUQLFPMV-UHFFFAOYSA-N 2 0 297.447 -1.013 20 0 CAADRP C[C@]1(C(=O)NC[C@H]2C[NH2+]CCCO2)C[NH2+]CCO1 ZINC000638265351 373406038 /nfs/dbraw/zinc/40/60/38/373406038.db2.gz LKGFGIGTWAHOEB-ZYHUDNBSSA-N 2 0 257.334 -1.140 20 0 CAADRP CO[C@@H]1C[NH2+][C@@](C)(C(=O)NC[C@@H]2C[NH2+]CCO2)C1 ZINC000638337955 373413484 /nfs/dbraw/zinc/41/34/84/373413484.db2.gz NTXRLMYAKGLCNH-JBLDHEPKSA-N 2 0 257.334 -1.142 20 0 CAADRP [NH3+]C[C@]1(C(=O)NC[C@@H]2C[NH2+]CCO2)CCCOC1 ZINC000638337888 373413508 /nfs/dbraw/zinc/41/35/08/373413508.db2.gz LVNXNABORYDGJB-CMPLNLGQSA-N 2 0 257.334 -1.154 20 0 CAADRP [NH3+]C[C@@]1(C(=O)NC[C@H]2C[NH2+]CCO2)CCCOC1 ZINC000638337890 373415185 /nfs/dbraw/zinc/41/51/85/373415185.db2.gz LVNXNABORYDGJB-PWSUYJOCSA-N 2 0 257.334 -1.154 20 0 CAADRP C[C@]1(C(=O)N2CCCO[C@H](C[NH3+])C2)C[NH2+]CCO1 ZINC000638344565 373416655 /nfs/dbraw/zinc/41/66/55/373416655.db2.gz OGCHBAIQWYXVIZ-ZYHUDNBSSA-N 2 0 257.334 -1.059 20 0 CAADRP C[C@@]1(C(=O)N2CCCO[C@H](C[NH3+])C2)C[NH2+]CCO1 ZINC000638344563 373417520 /nfs/dbraw/zinc/41/75/20/373417520.db2.gz OGCHBAIQWYXVIZ-PWSUYJOCSA-N 2 0 257.334 -1.059 20 0 CAADRP CN(CCC[NH+](C)C)CCNC(=O)CN1CC[NH2+]CC1 ZINC000638407496 373419657 /nfs/dbraw/zinc/41/96/57/373419657.db2.gz AJDXNJJKACKNNR-UHFFFAOYSA-N 2 0 285.436 -1.109 20 0 CAADRP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)CN1CC[NH2+]CC1 ZINC000638413854 373420767 /nfs/dbraw/zinc/42/07/67/373420767.db2.gz HCHDSIAYQPBPLZ-UHFFFAOYSA-N 2 0 299.419 -1.630 20 0 CAADRP C[C@]1(C(=O)NC[C@H]2C[N@@H+]3CCN2CCC3)C[NH2+]CCO1 ZINC000638427956 373422212 /nfs/dbraw/zinc/42/22/12/373422212.db2.gz XXETUGAAZCJNQV-GXTWGEPZSA-N 2 0 282.388 -1.129 20 0 CAADRP [NH3+]C[C@]1(C(=O)N2CCOC3(C[NH2+]C3)C2)CCCOC1 ZINC000638436820 373422506 /nfs/dbraw/zinc/42/25/06/373422506.db2.gz DZAGHZGPIYCEIZ-GFCCVEGCSA-N 2 0 269.345 -1.057 20 0 CAADRP C[C@@]1(C(=O)N2CCOC3(C[NH2+]C3)C2)C[NH2+]CCO1 ZINC000638437854 373422831 /nfs/dbraw/zinc/42/28/31/373422831.db2.gz PNPARKZIWDYQPX-NSHDSACASA-N 2 0 255.318 -1.434 20 0 CAADRP [NH3+]CC(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000638476106 373424604 /nfs/dbraw/zinc/42/46/04/373424604.db2.gz GYEMOIWOAXYGBR-UHFFFAOYSA-N 2 0 255.322 -1.886 20 0 CAADRP [NH3+]CCCC(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000638478203 373425431 /nfs/dbraw/zinc/42/54/31/373425431.db2.gz XUVGTSUWALUBNT-UHFFFAOYSA-N 2 0 283.376 -1.105 20 0 CAADRP O=C(N1CC[NH2+]CC1)N1CCN(C(=O)C2(O)C[NH2+]C2)CC1 ZINC000638481366 373425571 /nfs/dbraw/zinc/42/55/71/373425571.db2.gz HQPRBUOGDKAYLI-UHFFFAOYSA-N 2 0 297.359 -2.510 20 0 CAADRP O=C([C@@H]1CCC[NH2+]1)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000638475986 373426071 /nfs/dbraw/zinc/42/60/71/373426071.db2.gz FFKMPUUNXACBNZ-LBPRGKRZSA-N 2 0 295.387 -1.092 20 0 CAADRP C[NH2+][C@@H](C)C(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000638481082 373426107 /nfs/dbraw/zinc/42/61/07/373426107.db2.gz DBWHZJRHYPWJMB-NSHDSACASA-N 2 0 283.376 -1.236 20 0 CAADRP [NH3+]CCOCC(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000638477785 373426361 /nfs/dbraw/zinc/42/63/61/373426361.db2.gz QVTYNYCKJOQZPV-UHFFFAOYSA-N 2 0 299.375 -1.869 20 0 CAADRP C[C@@H]([NH3+])C(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000638478034 373426417 /nfs/dbraw/zinc/42/64/17/373426417.db2.gz WBCLDJDTBQLFLI-SNVBAGLBSA-N 2 0 269.349 -1.497 20 0 CAADRP C[NH2+]CCC(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000638480339 373426639 /nfs/dbraw/zinc/42/66/39/373426639.db2.gz MGIAWOWIPXXTDL-UHFFFAOYSA-N 2 0 283.376 -1.235 20 0 CAADRP C[C@]1(C(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)C[NH2+]CCO1 ZINC000638496518 373427631 /nfs/dbraw/zinc/42/76/31/373427631.db2.gz SMLRXWIMHWBVKO-SMDDNHRTSA-N 2 0 298.387 -1.179 20 0 CAADRP NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000638495315 373427794 /nfs/dbraw/zinc/42/77/94/373427794.db2.gz ADPUSRLSIPQAMQ-WHOHXGKFSA-N 2 0 280.372 -1.092 20 0 CAADRP O=C(CN1CC[NH2+]CC1)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000638103513 373385930 /nfs/dbraw/zinc/38/59/30/373385930.db2.gz PRUNZPFCQUTJQI-KBPBESRZSA-N 2 0 296.415 -1.051 20 0 CAADRP O=C(CN1CC[NH2+]CC1)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000638103514 373386135 /nfs/dbraw/zinc/38/61/35/373386135.db2.gz PRUNZPFCQUTJQI-KGLIPLIRSA-N 2 0 296.415 -1.051 20 0 CAADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)CN1CC[NH2+]CC1 ZINC000638141374 373387385 /nfs/dbraw/zinc/38/73/85/373387385.db2.gz TUMKQFIXUTWSND-CYBMUJFWSA-N 2 0 283.420 -1.356 20 0 CAADRP C[NH+]1CCN(CCNC(=O)[C@@]2(C)C[NH2+]CCO2)CC1 ZINC000638137187 373388760 /nfs/dbraw/zinc/38/87/60/373388760.db2.gz RVIOABJYSZGIOR-CYBMUJFWSA-N 2 0 270.377 -1.272 20 0 CAADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)N2CCO[C@@H](C[NH3+])C2)C1 ZINC000638171588 373394019 /nfs/dbraw/zinc/39/40/19/373394019.db2.gz MFMVZKLDMFFMDK-NHCYSSNCSA-N 2 0 257.334 -1.061 20 0 CAADRP [NH3+]C[C@H]1CN(C(=O)[C@]2(C[NH3+])CCCOC2)CCO1 ZINC000638171919 373395578 /nfs/dbraw/zinc/39/55/78/373395578.db2.gz MPMULRQSSNZLEF-JQWIXIFHSA-N 2 0 257.334 -1.072 20 0 CAADRP COC[C@@]1(CNC(=O)[C@@H]2OCC[C@@H]2[NH3+])CCC[NH2+]1 ZINC000638230941 373400009 /nfs/dbraw/zinc/40/00/09/373400009.db2.gz XXFQFLQGEFUNBT-UMNHJUIQSA-N 2 0 257.334 -1.013 20 0 CAADRP C[NH+](CCOCC[N@@H+](C)[C@@H]1CCNC1=O)[C@H]1CCNC1=O ZINC000340225441 373400704 /nfs/dbraw/zinc/40/07/04/373400704.db2.gz JCXARJBMNLYAPU-TXEJJXNPSA-N 2 0 298.387 -1.356 20 0 CAADRP C[C@]1(C(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)C[NH2+]CCO1 ZINC000638226596 373400755 /nfs/dbraw/zinc/40/07/55/373400755.db2.gz HBBUXRIAVZJAFM-GXTWGEPZSA-N 2 0 282.388 -1.129 20 0 CAADRP C[C@]1(C(=O)N2CC[C@H]3OCC[NH2+][C@H]3C2)C[NH2+]CCO1 ZINC000638227653 373400986 /nfs/dbraw/zinc/40/09/86/373400986.db2.gz RBLVWIHVYQMIQC-DMDPSCGWSA-N 2 0 269.345 -1.046 20 0 CAADRP C[NH2+]CCOCCNC(=O)[C@]1(COC)CC[NH2+]C1 ZINC000638576363 373438801 /nfs/dbraw/zinc/43/88/01/373438801.db2.gz FLBRAVJFOXBHLT-GFCCVEGCSA-N 2 0 259.350 -1.035 20 0 CAADRP C[NH2+]CCOCCN(C)C(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000638591120 373439560 /nfs/dbraw/zinc/43/95/60/373439560.db2.gz DFGBWMMPKLKITD-NSHDSACASA-N 2 0 286.376 -1.451 20 0 CAADRP C[NH2+]CCOCCN(C)C(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000638591118 373440306 /nfs/dbraw/zinc/44/03/06/373440306.db2.gz DFGBWMMPKLKITD-LLVKDONJSA-N 2 0 286.376 -1.451 20 0 CAADRP CN1CCOC[C@H]1CNC(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC000638608552 373441566 /nfs/dbraw/zinc/44/15/66/373441566.db2.gz BOXSKHKQHAYXAD-LOWVWBTDSA-N 2 0 269.345 -1.331 20 0 CAADRP CN1CCOC[C@@H]1CNC(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000638609101 373442991 /nfs/dbraw/zinc/44/29/91/373442991.db2.gz DSGAJVDPKIRNDE-QWRGUYRKSA-N 2 0 284.360 -1.699 20 0 CAADRP CN1CCOC[C@@H]1CNC(=O)CN1CCCC[C@H]([NH3+])C1=O ZINC000638609919 373443015 /nfs/dbraw/zinc/44/30/15/373443015.db2.gz HQEPKBLLOITYNJ-RYUDHWBXSA-N 2 0 298.387 -1.227 20 0 CAADRP COC[C@@]1(C(=O)NC[C@H]2COCC[NH2+]2)CCC[NH2+]1 ZINC000638617311 373444542 /nfs/dbraw/zinc/44/45/42/373444542.db2.gz TZIUOVCTQHPFRI-CMPLNLGQSA-N 2 0 257.334 -1.140 20 0 CAADRP CC[NH+]1CCN(CC(=O)NC[C@@H]2COCC[NH2+]2)CC1 ZINC000638617506 373444734 /nfs/dbraw/zinc/44/47/34/373444734.db2.gz IJHLKVCONYLZOQ-GFCCVEGCSA-N 2 0 270.377 -1.272 20 0 CAADRP CC[NH+]1CCN(CC(=O)NC[C@H]2COCC[NH2+]2)CC1 ZINC000638617507 373445299 /nfs/dbraw/zinc/44/52/99/373445299.db2.gz IJHLKVCONYLZOQ-LBPRGKRZSA-N 2 0 270.377 -1.272 20 0 CAADRP CO[C@@H]1C[NH2+][C@@](C)(C(=O)NC[C@@H]2COCC[NH2+]2)C1 ZINC000638613616 373445615 /nfs/dbraw/zinc/44/56/15/373445615.db2.gz YYUXXJPRYWINPB-JFGNBEQYSA-N 2 0 257.334 -1.142 20 0 CAADRP COC[C@@]1(C(=O)NC[C@@H]2COCC[NH2+]2)CC[NH2+]C1 ZINC000638615923 373445955 /nfs/dbraw/zinc/44/59/55/373445955.db2.gz GPFIJBNCRFRDGY-ZYHUDNBSSA-N 2 0 257.334 -1.283 20 0 CAADRP [NH3+]C[C@@]1(C(=O)NC[C@H]2COCC[NH2+]2)CCCOC1 ZINC000638612264 373446135 /nfs/dbraw/zinc/44/61/35/373446135.db2.gz NYXAFGHYLKNLLO-JQWIXIFHSA-N 2 0 257.334 -1.154 20 0 CAADRP O=C(NC[C@@H]1COCC[NH2+]1)[C@]12C[NH2+]C[C@H]1COC2 ZINC000638612500 373446290 /nfs/dbraw/zinc/44/62/90/373446290.db2.gz CFLKEEGCQXCYEV-UMNHJUIQSA-N 2 0 255.318 -1.673 20 0 CAADRP COC[C@@]1(C(=O)NC[C@@H]2COCC[NH2+]2)CCC[NH2+]1 ZINC000638617315 373448028 /nfs/dbraw/zinc/44/80/28/373448028.db2.gz TZIUOVCTQHPFRI-ZYHUDNBSSA-N 2 0 257.334 -1.140 20 0 CAADRP CN(CCOCC[NH3+])C(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000638673861 373455359 /nfs/dbraw/zinc/45/53/59/373455359.db2.gz AJEWRVWPBYPADS-SNVBAGLBSA-N 2 0 272.349 -1.712 20 0 CAADRP CN(CCOCC[NH3+])C(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000638673858 373456244 /nfs/dbraw/zinc/45/62/44/373456244.db2.gz AJEWRVWPBYPADS-JTQLQIEISA-N 2 0 272.349 -1.712 20 0 CAADRP O=C(CCNC(=O)[C@H]1CCC[NH2+]1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000638914808 373481614 /nfs/dbraw/zinc/48/16/14/373481614.db2.gz DMJJZNJHCDYEHP-GARJFASQSA-N 2 0 266.345 -1.183 20 0 CAADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000638768340 373469927 /nfs/dbraw/zinc/46/99/27/373469927.db2.gz WICIYWPGHOFBJH-NGZCFLSTSA-N 2 0 256.350 -1.048 20 0 CAADRP O=C(N1CCC(CO[C@H]2CC[NH2+]C2)CC1)C1(O)C[NH2+]C1 ZINC000638785181 373473300 /nfs/dbraw/zinc/47/33/00/373473300.db2.gz MCZZUDPQEDGNGV-LBPRGKRZSA-N 2 0 283.372 -1.062 20 0 CAADRP O=C(N1CCC(CO[C@@H]2CC[NH2+]C2)CC1)C1(O)C[NH2+]C1 ZINC000638785177 373474572 /nfs/dbraw/zinc/47/45/72/373474572.db2.gz MCZZUDPQEDGNGV-GFCCVEGCSA-N 2 0 283.372 -1.062 20 0 CAADRP CN(CC[NH3+])C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000572868763 373495700 /nfs/dbraw/zinc/49/57/00/373495700.db2.gz BJYZGSHNOMLJJR-UHFFFAOYSA-N 3 0 287.408 -1.645 20 0 CAADRP C[C@@H](CNC(=O)CNC(=O)C[NH3+])C[NH+]1CCCC1 ZINC000059930907 373501609 /nfs/dbraw/zinc/50/16/09/373501609.db2.gz CLCOSKXQUKUASE-JTQLQIEISA-N 2 0 256.350 -1.091 20 0 CAADRP C[C@@H]1[C@H]([NH3+])CCN1C(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000343590535 373510709 /nfs/dbraw/zinc/51/07/09/373510709.db2.gz INUNJYOWIRBMQL-BBBLOLIVSA-N 2 0 254.334 -1.197 20 0 CAADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000638915494 373483307 /nfs/dbraw/zinc/48/33/07/373483307.db2.gz NFMFPKDFUKKEJF-QXEWZRGKSA-N 2 0 254.334 -1.341 20 0 CAADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000638938055 373484211 /nfs/dbraw/zinc/48/42/11/373484211.db2.gz WBLPHSYQWZPGJX-BBBLOLIVSA-N 2 0 254.334 -1.197 20 0 CAADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000638938068 373484237 /nfs/dbraw/zinc/48/42/37/373484237.db2.gz WBLPHSYQWZPGJX-UTLUCORTSA-N 2 0 254.334 -1.197 20 0 CAADRP COC(=O)CNC(=O)CC[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000609536215 373488192 /nfs/dbraw/zinc/48/81/92/373488192.db2.gz IQVWPVPKNOVVLY-UWVGGRQHSA-N 2 0 255.318 -1.183 20 0 CAADRP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)CNC(=O)C[NH3+] ZINC000125205600 373489905 /nfs/dbraw/zinc/48/99/05/373489905.db2.gz PPBOJBRUTPWHIN-SNVBAGLBSA-N 2 0 256.350 -1.139 20 0 CAADRP O=C1NC[C@H]2C[N@H+](CC3CC[NH2+]CC3)CCN2C1=O ZINC000346977941 373539812 /nfs/dbraw/zinc/53/98/12/373539812.db2.gz NQBHGOPFNMRPCL-NSHDSACASA-N 2 0 266.345 -1.371 20 0 CAADRP C[NH+]1CCC(O)(CNC(=O)[C@@H]2C[N@@H+]3CCN2CCC3)CC1 ZINC000535724223 373559497 /nfs/dbraw/zinc/55/94/97/373559497.db2.gz DODVVCVJBBNWSB-ZDUSSCGKSA-N 2 0 296.415 -1.051 20 0 CAADRP O=C(CCNC(=O)[C@H]1CCC[NH2+]1)NCCN1CC[NH2+]CC1 ZINC000519398125 373563217 /nfs/dbraw/zinc/56/32/17/373563217.db2.gz AZIMDIFRAVCNCA-GFCCVEGCSA-N 2 0 297.403 -1.734 20 0 CAADRP C[NH+](C)CCCNC(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000351542260 373575306 /nfs/dbraw/zinc/57/53/06/373575306.db2.gz QUTWDFRPNSDSAM-SNVBAGLBSA-N 2 0 256.350 -1.078 20 0 CAADRP C[C@@H](CNC(=O)CNC(=O)[C@@H]1CCC[NH2+]1)[NH+](C)C ZINC000351557319 373577843 /nfs/dbraw/zinc/57/78/43/373577843.db2.gz QASFEHCFBLBASW-UWVGGRQHSA-N 2 0 256.350 -1.079 20 0 CAADRP CN1CCN(C(=O)CN2CCN(C)C[C@@H]2CO)CC1 ZINC000639871176 373625409 /nfs/dbraw/zinc/62/54/09/373625409.db2.gz YTDRJBJVYDHPLA-GFCCVEGCSA-N 2 0 270.377 -1.631 20 0 CAADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CC[NH2+]C[C@@H]1C ZINC000582361038 373628329 /nfs/dbraw/zinc/62/83/29/373628329.db2.gz HFUZEWINJOTHPV-ONGXEEELSA-N 2 0 256.350 -1.094 20 0 CAADRP C[NH2+]C[C@@](C)(O)CN(C)CC(=O)N1CC[NH2+]CC1 ZINC000583757765 373639960 /nfs/dbraw/zinc/63/99/60/373639960.db2.gz GRBZTDSLWXJSFB-GFCCVEGCSA-N 2 0 258.366 -1.680 20 0 CAADRP [NH3+][C@H]1C[C@H]2CN(C(=O)[C@@H]3CCC[NH2+]3)CCN2C1=O ZINC000583824301 373640534 /nfs/dbraw/zinc/64/05/34/373640534.db2.gz ZRWDJYNHOSXIOS-GUBZILKMSA-N 2 0 252.318 -1.491 20 0 CAADRP COC[C@]1(C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)CC[NH2+]C1 ZINC000583274128 373640738 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Nc1cc[nH+]cc1C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000582241770 373600837 /nfs/dbraw/zinc/60/08/37/373600837.db2.gz JBYIFZRNZPZPKA-UHFFFAOYSA-N 2 0 263.301 -1.344 20 0 CAADRP C[C@]1(NC(=O)NCC(=O)N2CC[NH2+]CC2)CC[NH2+]C1 ZINC000612910992 373714137 /nfs/dbraw/zinc/71/41/37/373714137.db2.gz CCQCVPZOBORHCN-LBPRGKRZSA-N 2 0 269.349 -1.531 20 0 CAADRP C[C@@]1(NC(=O)NCC(=O)N2CC[NH2+]CC2)CC[NH2+]C1 ZINC000612910990 373714355 /nfs/dbraw/zinc/71/43/55/373714355.db2.gz CCQCVPZOBORHCN-GFCCVEGCSA-N 2 0 269.349 -1.531 20 0 CAADRP C[C@H]1[C@@H](NC(=O)C(=O)N(C)[C@H]2C[NH2+]C[C@@H]2O)CCC[N@@H+]1C ZINC000419542879 373671458 /nfs/dbraw/zinc/67/14/58/373671458.db2.gz FYLQHDDAPBODJL-BJDJZHNGSA-N 2 0 298.387 -1.624 20 0 CAADRP [NH3+][C@@H]1C[C@H]2CN(C(=O)[C@H]3CCCC[NH2+]3)CCN2C1=O ZINC000571893947 373677873 /nfs/dbraw/zinc/67/78/73/373677873.db2.gz BFMFYJPCOKPPMY-HBNTYKKESA-N 2 0 266.345 -1.101 20 0 CAADRP [NH3+][C@@H]1C[C@@H]2CN(C(=O)[C@H]3CCCC[NH2+]3)CCN2C1=O ZINC000571893945 373678483 /nfs/dbraw/zinc/67/84/83/373678483.db2.gz BFMFYJPCOKPPMY-GMTAPVOTSA-N 2 0 266.345 -1.101 20 0 CAADRP C[NH+](C)CCN1C(=O)C[C@@H]([NH2+]CCN2CCOCC2)C1=O ZINC000572131657 373681454 /nfs/dbraw/zinc/68/14/54/373681454.db2.gz JZXSSGICJCHTFW-GFCCVEGCSA-N 2 0 298.387 -1.403 20 0 CAADRP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)N1CC[NH2+]CC1 ZINC000423731343 373693505 /nfs/dbraw/zinc/69/35/05/373693505.db2.gz XTRRLUKBLSEHRP-NSHDSACASA-N 2 0 268.361 -1.029 20 0 CAADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NCCC[NH3+] ZINC000572501791 373772054 /nfs/dbraw/zinc/77/20/54/373772054.db2.gz UNJOZHBVZGILEL-UHFFFAOYSA-N 3 0 287.408 -1.597 20 0 CAADRP C[NH2+]CCOCC[N@H+](C)Cc1cc(=O)n(C)c(=O)n1C ZINC000629568299 373777196 /nfs/dbraw/zinc/77/71/96/373777196.db2.gz IUEPUHHAYUYJBP-UHFFFAOYSA-N 2 0 284.360 -1.248 20 0 CAADRP [NH3+][C@@H](C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1)C1CCC1 ZINC000515171623 373724450 /nfs/dbraw/zinc/72/44/50/373724450.db2.gz SOEDSSVLIRDXBE-GMTAPVOTSA-N 2 0 266.345 -1.116 20 0 CAADRP C[C@H]([NH3+])[C@H](C)NC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000514950452 373724570 /nfs/dbraw/zinc/72/45/70/373724570.db2.gz GATOFPYBKFCAHG-QEYWKRMJSA-N 2 0 269.349 -1.325 20 0 CAADRP C[C@H](CN1CCOCC1)NC(=O)NC[C@@H]1COCC[NH2+]1 ZINC000626934197 373728020 /nfs/dbraw/zinc/72/80/20/373728020.db2.gz CKEFFUFCSHGNNE-VXGBXAGGSA-N 2 0 286.376 -1.005 20 0 CAADRP O=C(NCCCN1CCOCC1)NC[C@H]1COCC[NH2+]1 ZINC000626918274 373728396 /nfs/dbraw/zinc/72/83/96/373728396.db2.gz WOVSACKINKWNPS-LBPRGKRZSA-N 2 0 286.376 -1.004 20 0 CAADRP C[C@@H](CN1CCOCC1)NC(=O)NC[C@H]1COCC[NH2+]1 ZINC000626934181 373729279 /nfs/dbraw/zinc/72/92/79/373729279.db2.gz CKEFFUFCSHGNNE-RYUDHWBXSA-N 2 0 286.376 -1.005 20 0 CAADRP O=C(C(=O)N1CC[N@@H+]2CCC[C@H]2C1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000643513462 373734653 /nfs/dbraw/zinc/73/46/53/373734653.db2.gz WVNOJYAHRKAXIO-XQQFMLRXSA-N 2 0 292.383 -1.029 20 0 CAADRP O=C(N[C@H](CO)C[NH+]1CCCC1)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000640324184 373753873 /nfs/dbraw/zinc/75/38/73/373753873.db2.gz ZDBLMHWRBNNBAN-KBPBESRZSA-N 2 0 296.415 -1.051 20 0 CAADRP O=C(N[C@@H](CO)C[NH+]1CCCC1)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000640324197 373754404 /nfs/dbraw/zinc/75/44/04/373754404.db2.gz ZDBLMHWRBNNBAN-ZIAGYGMSSA-N 2 0 296.415 -1.051 20 0 CAADRP CC[NH+]1CCN(CC(=O)NCC[N@@H+]2CC[C@@H](O)C2)CC1 ZINC000629174376 373758194 /nfs/dbraw/zinc/75/81/94/373758194.db2.gz XOGACFOEMKPUNK-CYBMUJFWSA-N 2 0 284.404 -1.193 20 0 CAADRP O=C(N1CC[NH2+]CC1)N1CCN(C[C@H]2C[NH2+]CCO2)CC1 ZINC000629546118 373776120 /nfs/dbraw/zinc/77/61/20/373776120.db2.gz NEKREGWLAXMGJN-CYBMUJFWSA-N 2 0 297.403 -1.382 20 0 CAADRP C[NH2+]CCOCC[N@H+](C)CCC(=O)N1CC[NH2+]CC1 ZINC000629570487 373776418 /nfs/dbraw/zinc/77/64/18/373776418.db2.gz LEWFGZVSELHPDX-UHFFFAOYSA-N 3 0 272.393 -1.024 20 0 CAADRP CN(C1CC[NH2+]CC1)S(=O)(=O)N1CC[NH2+]CC1 ZINC000631900465 373816671 /nfs/dbraw/zinc/81/66/71/373816671.db2.gz AIRPADQXTIKSMR-UHFFFAOYSA-N 2 0 262.379 -1.180 20 0 CAADRP C[C@@H]1CN(S(=O)(=O)C[C@@H]2C[NH2+]CCO2)CC[C@@H]1[NH3+] ZINC000631905115 373820089 /nfs/dbraw/zinc/82/00/89/373820089.db2.gz GELLLEPMPHBPPO-VWYCJHECSA-N 2 0 277.390 -1.026 20 0 CAADRP O=S(=O)(C[C@@H]1C[NH2+]CCO1)NCC[C@H]1CC[NH2+]C1 ZINC000631903266 373820237 /nfs/dbraw/zinc/82/02/37/373820237.db2.gz DCZTZNWIBFESDM-MNOVXSKESA-N 2 0 277.390 -1.106 20 0 CAADRP [NH3+]C[C@@H](NS(=O)(=O)C[C@H]1C[NH2+]CCO1)C1CC1 ZINC000631906249 373820363 /nfs/dbraw/zinc/82/03/63/373820363.db2.gz HUXIFEZZEATHPL-NXEZZACHSA-N 2 0 263.363 -1.369 20 0 CAADRP CN1CCN(S(=O)(=O)C[C@H]2C[NH2+]CCO2)[C@@H](C[NH3+])C1 ZINC000631907273 373820607 /nfs/dbraw/zinc/82/06/07/373820607.db2.gz HMUOBYCZSVOOLZ-WDEREUQCSA-N 2 0 292.405 -2.121 20 0 CAADRP CC[NH2+]CCNS(=O)(=O)C[C@@H]1C[NH2+]CCO1 ZINC000631903729 373820660 /nfs/dbraw/zinc/82/06/60/373820660.db2.gz SLHDXOZZNIRFDO-VIFPVBQESA-N 2 0 251.352 -1.496 20 0 CAADRP [NH3+]C[C@@H](NS(=O)(=O)C[C@@H]1C[NH2+]CCO1)C1CC1 ZINC000631906251 373820866 /nfs/dbraw/zinc/82/08/66/373820866.db2.gz HUXIFEZZEATHPL-VHSXEESVSA-N 2 0 263.363 -1.369 20 0 CAADRP C[NH2+]C[C@H]1CCCN1S(=O)(=O)C[C@H]1C[NH2+]CCO1 ZINC000631907211 373821015 /nfs/dbraw/zinc/82/10/15/373821015.db2.gz GALNJSMGLSJXEH-GHMZBOCLSA-N 2 0 277.390 -1.012 20 0 CAADRP C[C@H](C[NH3+])N(C)S(=O)(=O)C[C@H]1C[NH2+]CCO1 ZINC000631904014 373821075 /nfs/dbraw/zinc/82/10/75/373821075.db2.gz AVEVSXFXLCURKM-RKDXNWHRSA-N 2 0 251.352 -1.416 20 0 CAADRP O=S(=O)(C[C@H]1C[NH2+]CCO1)NC[C@@H]1CCC[NH2+]1 ZINC000631903946 373821228 /nfs/dbraw/zinc/82/12/28/373821228.db2.gz ZNWLZMOBMMEVMV-VHSXEESVSA-N 2 0 263.363 -1.354 20 0 CAADRP C[C@@H](C[NH3+])N(C)S(=O)(=O)C[C@@H]1C[NH2+]CCO1 ZINC000631904013 373821571 /nfs/dbraw/zinc/82/15/71/373821571.db2.gz AVEVSXFXLCURKM-IUCAKERBSA-N 2 0 251.352 -1.416 20 0 CAADRP C[C@H]([NH3+])[C@@H]1CN(S(=O)(=O)C[C@H]2C[NH2+]CCO2)CCO1 ZINC000631907185 373821652 /nfs/dbraw/zinc/82/16/52/373821652.db2.gz FNLBGNKRZMIGPM-AXFHLTTASA-N 2 0 293.389 -1.647 20 0 CAADRP C[C@@H]1CN(S(=O)(=O)C[C@@H]2C[NH2+]CCO2)CC[C@H]1[NH3+] ZINC000631905114 373821691 /nfs/dbraw/zinc/82/16/91/373821691.db2.gz GELLLEPMPHBPPO-OUAUKWLOSA-N 2 0 277.390 -1.026 20 0 CAADRP C[NH2+]C[C@H]1CCCN1S(=O)(=O)C[C@@H]1C[NH2+]CCO1 ZINC000631907212 373821759 /nfs/dbraw/zinc/82/17/59/373821759.db2.gz GALNJSMGLSJXEH-MNOVXSKESA-N 2 0 277.390 -1.012 20 0 CAADRP COCC[NH2+]CCNC(=O)NCC[N@@H+]1CC[C@H](O)C1 ZINC000627083902 373839663 /nfs/dbraw/zinc/83/96/63/373839663.db2.gz WZFHOKLZRHTAKI-NSHDSACASA-N 2 0 274.365 -1.412 20 0 CAADRP C[NH+](C)C1(CNS(=O)(=O)C[C@@H]2C[NH2+]CCO2)CC1 ZINC000397954893 373822306 /nfs/dbraw/zinc/82/23/06/373822306.db2.gz BOCWORQLVLYHKT-JTQLQIEISA-N 2 0 277.390 -1.012 20 0 CAADRP [NH3+][C@@H](CNS(=O)(=O)C[C@@H]1C[NH2+]CCO1)C1CC1 ZINC000631932147 373822913 /nfs/dbraw/zinc/82/29/13/373822913.db2.gz QHPVHLOOUJXADA-UWVGGRQHSA-N 2 0 263.363 -1.369 20 0 CAADRP C[C@@H]1CC[NH2+]C[C@H]1NS(=O)(=O)C[C@H]1C[NH2+]CCO1 ZINC000631934774 373823169 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CN1CCOC[C@@H]1CNC(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000623600686 373824763 /nfs/dbraw/zinc/82/47/63/373824763.db2.gz XWUWZYBVEFYQFN-STQMWFEESA-N 2 0 299.419 -1.138 20 0 CAADRP [NH3+]CC12CC(C1)CN2S(=O)(=O)C[C@@H]1C[NH2+]CCO1 ZINC000631951435 373825341 /nfs/dbraw/zinc/82/53/41/373825341.db2.gz HRYMIXXIXHDCKG-YVNMAJEFSA-N 2 0 275.374 -1.272 20 0 CAADRP O=S(=O)(C[C@@H]1C[NH2+]CCO1)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000631938603 373825695 /nfs/dbraw/zinc/82/56/95/373825695.db2.gz IABLPUREOIJYGH-AXTSPUMRSA-N 2 0 261.347 -1.888 20 0 CAADRP O=S(=O)(C[C@@H]1C[NH2+]CCO1)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000631938902 373825805 /nfs/dbraw/zinc/82/58/05/373825805.db2.gz OWGVRLFWGGXVHA-SRVKXCTJSA-N 2 0 289.401 -1.012 20 0 CAADRP CN1CCOC[C@H]1CNC(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000623600685 373825947 /nfs/dbraw/zinc/82/59/47/373825947.db2.gz XWUWZYBVEFYQFN-QWHCGFSZSA-N 2 0 299.419 -1.138 20 0 CAADRP C[C@@H]1CC[NH2+]C[C@H]1NS(=O)(=O)C[C@@H]1C[NH2+]CCO1 ZINC000631934776 373826512 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CC[C@@H](C(=O)NCC(=O)N1CC[NH2+]CC1)[NH+](C)C ZINC000629614845 373781307 /nfs/dbraw/zinc/78/13/07/373781307.db2.gz OHMGWVYUMVWTGF-JTQLQIEISA-N 2 0 256.350 -1.125 20 0 CAADRP CC[C@H](C(=O)NCC(=O)N1CC[NH2+]CC1)[NH+](C)C ZINC000629614846 373782123 /nfs/dbraw/zinc/78/21/23/373782123.db2.gz OHMGWVYUMVWTGF-SNVBAGLBSA-N 2 0 256.350 -1.125 20 0 CAADRP O=C(NCCCN1CC[NH2+]CC1)NC[C@@H]1COCC[NH2+]1 ZINC000627064311 373837261 /nfs/dbraw/zinc/83/72/61/373837261.db2.gz RHWJRDOWKDGADD-GFCCVEGCSA-N 2 0 285.392 -1.431 20 0 CAADRP CCN(CC[NH3+])C(=O)C(=O)N(C)CCN1CCOCC1 ZINC000629795179 373783233 /nfs/dbraw/zinc/78/32/33/373783233.db2.gz HNTBJSDZVRTBEK-UHFFFAOYSA-N 2 0 286.376 -1.416 20 0 CAADRP O=C(NCCCN1CC[NH2+]CC1)N[C@@H]1CC[NH2+]C1 ZINC000627063032 373837487 /nfs/dbraw/zinc/83/74/87/373837487.db2.gz GMIZWTAFKSHREP-LLVKDONJSA-N 2 0 255.366 -1.057 20 0 CAADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000627062580 373837552 /nfs/dbraw/zinc/83/75/52/373837552.db2.gz AGZGAIKFOUBBRP-WDEREUQCSA-N 2 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C[NH2+]CCOCCNC(=O)NCC[N@@H+]1CC[C@H](O)C1 ZINC000627169155 373843175 /nfs/dbraw/zinc/84/31/75/373843175.db2.gz FECSGTYEQGMDCM-NSHDSACASA-N 2 0 274.365 -1.412 20 0 CAADRP C[NH2+]CCOCCNC(=O)N1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000627170451 373843374 /nfs/dbraw/zinc/84/33/74/373843374.db2.gz ADXPSDJWARVFPF-WDEREUQCSA-N 2 0 274.365 -1.020 20 0 CAADRP C[NH2+]CCOCCNC(=O)N1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC000627170448 373843547 /nfs/dbraw/zinc/84/35/47/373843547.db2.gz ADXPSDJWARVFPF-MNOVXSKESA-N 2 0 274.365 -1.020 20 0 CAADRP C[NH2+]CCOCCNC(=O)N1CCOC2(C[NH2+]C2)C1 ZINC000627170501 373843884 /nfs/dbraw/zinc/84/38/84/373843884.db2.gz BHVDBWGZTKOWKG-UHFFFAOYSA-N 2 0 272.349 -1.394 20 0 CAADRP C[NH2+]CCOCCNC(=O)NC[C@@]1(O)CC[N@H+](C)C1 ZINC000627173690 373845326 /nfs/dbraw/zinc/84/53/26/373845326.db2.gz FVCDZNFESYDYJV-LBPRGKRZSA-N 2 0 274.365 -1.412 20 0 CAADRP C[NH2+]CCOCCNC(=O)NC[C@]1(O)CC[N@H+](C)C1 ZINC000627173689 373845428 /nfs/dbraw/zinc/84/54/28/373845428.db2.gz FVCDZNFESYDYJV-GFCCVEGCSA-N 2 0 274.365 -1.412 20 0 CAADRP C[N@@H+]1CC[C@](O)(CNC(=O)NC[C@H]2COCC[NH2+]2)C1 ZINC000627190095 373847262 /nfs/dbraw/zinc/84/72/62/373847262.db2.gz UTDGGUGMDBMLSK-JQWIXIFHSA-N 2 0 272.349 -1.659 20 0 CAADRP O=C(NC[C@@H]1COCC[NH2+]1)NC[C@@H]1COCC[NH2+]1 ZINC000627192222 373847292 /nfs/dbraw/zinc/84/72/92/373847292.db2.gz QQVCAGAXLQIWGH-NXEZZACHSA-N 2 0 258.322 -1.738 20 0 CAADRP O=C(NCC[N@H+]1CC[C@@H](O)C1)NC[C@@H]1COCC[NH2+]1 ZINC000627191886 373847941 /nfs/dbraw/zinc/84/79/41/373847941.db2.gz JASREXSLHRZDDO-GHMZBOCLSA-N 2 0 272.349 -1.659 20 0 CAADRP C[NH2+]CCOCCN(C)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000627191251 373848006 /nfs/dbraw/zinc/84/80/06/373848006.db2.gz MKPPIPXKYOIENT-LLVKDONJSA-N 2 0 274.365 -1.148 20 0 CAADRP [NH3+]CCCOCCNC(=O)NCC[N@@H+]1CC[C@H](O)C1 ZINC000627220078 373853537 /nfs/dbraw/zinc/85/35/37/373853537.db2.gz KTJBRLOWSKRWNB-NSHDSACASA-N 2 0 274.365 -1.282 20 0 CAADRP [NH3+]CCCOCCNC(=O)N1CCOC2(C[NH2+]C2)C1 ZINC000627219244 373853771 /nfs/dbraw/zinc/85/37/71/373853771.db2.gz SYTZYIAULHSBJD-UHFFFAOYSA-N 2 0 272.349 -1.264 20 0 CAADRP C[NH+](C)C[C@](C)(O)CNC(=O)NCCOCCC[NH3+] ZINC000627216719 373853827 /nfs/dbraw/zinc/85/38/27/373853827.db2.gz YKBDWJWTYQNIJM-GFCCVEGCSA-N 2 0 276.381 -1.036 20 0 CAADRP [NH3+]CCCOCCNC(=O)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000627220077 373854563 /nfs/dbraw/zinc/85/45/63/373854563.db2.gz KTJBRLOWSKRWNB-LLVKDONJSA-N 2 0 274.365 -1.282 20 0 CAADRP COCC[NH2+]CC(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000566007943 373943441 /nfs/dbraw/zinc/94/34/41/373943441.db2.gz ARQSKMVAPTUVCR-GFCCVEGCSA-N 2 0 270.377 -1.272 20 0 CAADRP COCC[NH2+]CCNC(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000566206565 373943791 /nfs/dbraw/zinc/94/37/91/373943791.db2.gz PZHYDTOGBGQNRL-JTQLQIEISA-N 2 0 272.349 -1.793 20 0 CAADRP CN1CCN(C(=O)C[C@@H]2COCC[NH2+]2)[C@@H](C[NH3+])C1 ZINC000566854462 373949774 /nfs/dbraw/zinc/94/97/74/373949774.db2.gz PXQRKUYBVHYKSD-MNOVXSKESA-N 2 0 256.350 -1.534 20 0 CAADRP CN1CCN(C(=O)C[C@H]2COCC[NH2+]2)[C@@H](C[NH3+])C1 ZINC000566854463 373951178 /nfs/dbraw/zinc/95/11/78/373951178.db2.gz PXQRKUYBVHYKSD-QWRGUYRKSA-N 2 0 256.350 -1.534 20 0 CAADRP COCC[NH2+]CC(=O)Nc1nc(N2CC[NH2+]CC2)n[nH]1 ZINC000566795715 373951846 /nfs/dbraw/zinc/95/18/46/373951846.db2.gz VHLWTCFLOLTFRE-UHFFFAOYSA-N 2 0 283.336 -1.611 20 0 CAADRP CC[NH+]1CCN(CC(=O)NCC(=O)N2CC[NH2+]CC2)CC1 ZINC000567169912 373952746 /nfs/dbraw/zinc/95/27/46/373952746.db2.gz FOCQHARLXVMZEI-UHFFFAOYSA-N 2 0 297.403 -1.828 20 0 CAADRP C[NH2+][C@@H]1CCN(C(=O)CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000567383571 373956213 /nfs/dbraw/zinc/95/62/13/373956213.db2.gz JPSXKLPNSJAPQH-ZJUUUORDSA-N 2 0 254.334 -1.325 20 0 CAADRP CCN1C[C@@H]([NH2+]C[C@H](O)CN2CC[NH+](C)CC2)CC1=O ZINC000567464904 373956323 /nfs/dbraw/zinc/95/63/23/373956323.db2.gz ABMYNDKDPQOTAH-STQMWFEESA-N 2 0 284.404 -1.195 20 0 CAADRP CN(C)C(=O)CC[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000567407977 373956980 /nfs/dbraw/zinc/95/69/80/373956980.db2.gz RGHJUYRAFIZFDM-UWVGGRQHSA-N 2 0 254.334 -1.292 20 0 CAADRP C[C@H](C[NH3+])CNC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000567470197 373957131 /nfs/dbraw/zinc/95/71/31/373957131.db2.gz UFKWYOFACKEAAM-ZJUUUORDSA-N 2 0 256.350 -1.044 20 0 CAADRP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)N[C@@H]1C[NH2+]CCC1(F)F ZINC000567470291 373957160 /nfs/dbraw/zinc/95/71/60/373957160.db2.gz ZASIHXAADYOFBD-DTWKUNHWSA-N 2 0 290.314 -1.032 20 0 CAADRP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)NC1C[NH2+]C1 ZINC000567649024 373958865 /nfs/dbraw/zinc/95/88/65/373958865.db2.gz MSBPIOPCKIYBHZ-JTQLQIEISA-N 2 0 254.334 -1.373 20 0 CAADRP O=C(CCOC1C[NH2+]C1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000567817057 373962081 /nfs/dbraw/zinc/96/20/81/373962081.db2.gz GWCRNKRPYZVSII-LBPRGKRZSA-N 2 0 282.388 -1.129 20 0 CAADRP O=C(C[C@H]1C[NH2+]CCO1)NCCN1CC[NH2+]CC1 ZINC000564797630 373931594 /nfs/dbraw/zinc/93/15/94/373931594.db2.gz UECBHTAUSGXPTH-NSHDSACASA-N 2 0 256.350 -1.614 20 0 CAADRP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000564957541 373933250 /nfs/dbraw/zinc/93/32/50/373933250.db2.gz NZPBUHJJZXWZEQ-QCBRBAQYSA-N 2 0 252.318 -1.811 20 0 CAADRP C[C@]1(C(=O)NCC(=O)N2CC[NH2+]CC2)CCC[NH2+]C1 ZINC000564983327 373933322 /nfs/dbraw/zinc/93/33/22/373933322.db2.gz RFXLPFBYUXUOLH-ZDUSSCGKSA-N 2 0 268.361 -1.076 20 0 CAADRP [NH3+][C@@H]1C[C@H]2CN(C(=O)NC3C[NH2+]C3)CCN2C1=O ZINC000565251033 373935446 /nfs/dbraw/zinc/93/54/46/373935446.db2.gz SQDUBFGFLIRHPV-DTWKUNHWSA-N 2 0 253.306 -2.088 20 0 CAADRP COCC[NH2+]CCNC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000565669694 373937913 /nfs/dbraw/zinc/93/79/13/373937913.db2.gz HUHGCYHCMIQZPF-QWRGUYRKSA-N 2 0 299.375 -1.824 20 0 CAADRP CCS(=O)(=O)NCC(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000565479912 373939101 /nfs/dbraw/zinc/93/91/01/373939101.db2.gz QETXCXFIENHPNV-SECBINFHSA-N 2 0 278.378 -1.973 20 0 CAADRP CC1(C)COCCN1CCNC(=O)C(=O)NC1C[NH2+]C1 ZINC000565882736 373942034 /nfs/dbraw/zinc/94/20/34/373942034.db2.gz PUJOEYFJNWTLDC-UHFFFAOYSA-N 2 0 284.360 -1.699 20 0 CAADRP CCNC(=O)NC(=O)CN1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000578906384 373995341 /nfs/dbraw/zinc/99/53/41/373995341.db2.gz NVOOLAOGQMDFNE-RKDXNWHRSA-N 2 0 283.332 -1.924 20 0 CAADRP COCC[N@@H+]1CC[C@@H](NC(=O)N2CCN(C)C[C@@H]2C[NH3+])C1 ZINC000578742606 373995632 /nfs/dbraw/zinc/99/56/32/373995632.db2.gz AXYDALOIPWHJMB-OLZOCXBDSA-N 2 0 299.419 -1.009 20 0 CAADRP [NH3+][C@@H]1CCCC[C@H]1NC(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000578740490 373996217 /nfs/dbraw/zinc/99/62/17/373996217.db2.gz JQEBSGXTHGYVMD-GHMZBOCLSA-N 2 0 283.376 -1.013 20 0 CAADRP CN1CCN(C(=O)CNC(=O)C2CC2)[C@H](C[NH3+])C1 ZINC000578889139 373996617 /nfs/dbraw/zinc/99/66/17/373996617.db2.gz BSNYVCCDXYPDSL-SNVBAGLBSA-N 2 0 254.334 -1.386 20 0 CAADRP CO[C@@H](C[NH3+])C(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000579590479 374002493 /nfs/dbraw/zinc/00/24/93/374002493.db2.gz KJVVXFISFMVJQU-RYUDHWBXSA-N 2 0 298.387 -1.370 20 0 CAADRP CO[C@@H](C[NH3+])C(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000579590477 374003967 /nfs/dbraw/zinc/00/39/67/374003967.db2.gz KJVVXFISFMVJQU-NEPJUHHUSA-N 2 0 298.387 -1.370 20 0 CAADRP O=C(CNC(=O)[C@@H]1C[C@]12CC[NH2+]C2)N1CC[NH2+]CC1 ZINC000579956017 374007643 /nfs/dbraw/zinc/00/76/43/374007643.db2.gz WPSMRKOTUKKMFA-GWCFXTLKSA-N 2 0 266.345 -1.466 20 0 CAADRP O=C(C[C@@H]1COCC[NH2+]1)Nc1nc(N2CC[NH2+]CC2)n[nH]1 ZINC000579949940 374008066 /nfs/dbraw/zinc/00/80/66/374008066.db2.gz JNRHDCZBTFSRNO-SECBINFHSA-N 2 0 295.347 -1.469 20 0 CAADRP CC(C)[NH2+]CC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000568267405 373970495 /nfs/dbraw/zinc/97/04/95/373970495.db2.gz FZBRBYDIWNLFIW-VHSXEESVSA-N 2 0 254.334 -1.245 20 0 CAADRP CO[C@@H](C[NH3+])CC(=O)N(C)CC(=O)N1CC[NH2+]CC1 ZINC000568875925 373971954 /nfs/dbraw/zinc/97/19/54/373971954.db2.gz QGHXLBKWIFYZJB-SNVBAGLBSA-N 2 0 272.349 -1.760 20 0 CAADRP CN1CCN(C(=O)C[C@H]2C[NH2+]CCO2)[C@H](C[NH3+])C1 ZINC000572840229 373977740 /nfs/dbraw/zinc/97/77/40/373977740.db2.gz XZZGRYDYKUBQJT-MNOVXSKESA-N 2 0 256.350 -1.534 20 0 CAADRP CN(CC(=O)N1CC[NH2+]CC1)C(=O)CCOC1C[NH2+]C1 ZINC000573319466 373980073 /nfs/dbraw/zinc/98/00/73/373980073.db2.gz KHOIPXHJWKNZGO-UHFFFAOYSA-N 2 0 284.360 -1.745 20 0 CAADRP O=C(CNC(=O)[C@H]1CCC[NH2+]1)NCC[C@H]1CC[NH2+]C1 ZINC000573367222 373980102 /nfs/dbraw/zinc/98/01/02/373980102.db2.gz NPWZFRSAVGGIGP-GHMZBOCLSA-N 2 0 268.361 -1.030 20 0 CAADRP NC(=O)C[N@@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000573121434 373980391 /nfs/dbraw/zinc/98/03/91/373980391.db2.gz BLDQOVFFPATILQ-JTQLQIEISA-N 2 0 254.334 -1.385 20 0 CAADRP C[C@H]([NH2+]C1CC1)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000573267379 373980978 /nfs/dbraw/zinc/98/09/78/373980978.db2.gz GRCMTRMZFZVTSX-JMJZKYOTSA-N 2 0 266.345 -1.103 20 0 CAADRP CCN1CCO[C@H](C(=O)NC[C@@H]2C[NH2+]CCO2)C1 ZINC000578236296 373991392 /nfs/dbraw/zinc/99/13/92/373991392.db2.gz IHSLJSIFFJUFQD-QWRGUYRKSA-N 2 0 257.334 -1.188 20 0 CAADRP C[NH2+]C[C@H](C)CNC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000578454444 373992624 /nfs/dbraw/zinc/99/26/24/373992624.db2.gz ZHHONNRISCOPTN-GARJFASQSA-N 2 0 283.376 -1.205 20 0 CAADRP C[NH2+]C[C@H](C)CNC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000578454442 373994022 /nfs/dbraw/zinc/99/40/22/373994022.db2.gz ZHHONNRISCOPTN-AXFHLTTASA-N 2 0 283.376 -1.205 20 0 CAADRP COCC[N@H+](C)CCNC(=O)CN1CCN(C)CC1 ZINC000111596669 374066641 /nfs/dbraw/zinc/06/66/41/374066641.db2.gz SXFMAXMVBBZBRJ-UHFFFAOYSA-N 2 0 272.393 -1.072 20 0 CAADRP C[N@H+](CCNC(=O)C(=O)N[C@@H]1CC[NH2+]C1)C1CC1 ZINC000627319574 374071275 /nfs/dbraw/zinc/07/12/75/374071275.db2.gz YICIRKXJTCWVEI-SECBINFHSA-N 2 0 254.334 -1.325 20 0 CAADRP [NH3+]CC(=O)NCC(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000621491032 374071650 /nfs/dbraw/zinc/07/16/50/374071650.db2.gz QNWSUMXYCLMRQB-UHFFFAOYSA-N 2 0 277.328 -1.195 20 0 CAADRP C[NH2+]CCOCCNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000627325263 374073791 /nfs/dbraw/zinc/07/37/91/374073791.db2.gz DBYXBLRAMAGHKS-LLVKDONJSA-N 2 0 298.387 -1.309 20 0 CAADRP CN(CCOCC[NH3+])C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000627325220 374074464 /nfs/dbraw/zinc/07/44/64/374074464.db2.gz BZXYCYCPLPMFKF-LLVKDONJSA-N 2 0 298.387 -1.227 20 0 CAADRP C[C@H](CC[NH+](C)C)NC(=O)C(=O)NC[C@H]1COCC[NH2+]1 ZINC000627325495 374074714 /nfs/dbraw/zinc/07/47/14/374074714.db2.gz LVAHJZPZTRYHAX-MNOVXSKESA-N 2 0 286.376 -1.453 20 0 CAADRP O=C(NC[C@@H]1COCC[NH2+]1)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000627325758 374074831 /nfs/dbraw/zinc/07/48/31/374074831.db2.gz TUUHIHPNHDNFBG-GHMZBOCLSA-N 2 0 296.371 -1.556 20 0 CAADRP C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N(C)CCOCC[NH3+] ZINC000627325387 374075161 /nfs/dbraw/zinc/07/51/61/374075161.db2.gz HXLNMJCNMNIAGE-NSHDSACASA-N 2 0 288.392 -1.124 20 0 CAADRP O=C(NC[C@H]1COCC[NH2+]1)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000627325759 374075385 /nfs/dbraw/zinc/07/53/85/374075385.db2.gz TUUHIHPNHDNFBG-MNOVXSKESA-N 2 0 296.371 -1.556 20 0 CAADRP C[C@@H]1C(=O)N(CC[NH+](C)C)CN1c1nc(N)[nH+]c(N)n1 ZINC000624331275 374111551 /nfs/dbraw/zinc/11/15/51/374111551.db2.gz UUIQNCBJESSWIB-SSDOTTSWSA-N 2 0 280.336 -1.747 20 0 CAADRP Nc1nc(NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)nc(N)[nH+]1 ZINC000624256207 374111913 /nfs/dbraw/zinc/11/19/13/374111913.db2.gz GNVLWQLULLRTTH-OCAPTIKFSA-N 2 0 265.321 -1.606 20 0 CAADRP C[C@H](CNC(=O)C(=O)NC[C@@H]1COCC[NH2+]1)[N@H+](C)C1CC1 ZINC000627372747 374115681 /nfs/dbraw/zinc/11/56/81/374115681.db2.gz WDFQOBNSROXWBP-GHMZBOCLSA-N 2 0 298.387 -1.310 20 0 CAADRP CC[N@H+](CCNC(=O)C(=O)NC[C@@H]1COCC[NH2+]1)C1CC1 ZINC000627365282 374116725 /nfs/dbraw/zinc/11/67/25/374116725.db2.gz KPDRSPUSHSWVCD-LLVKDONJSA-N 2 0 298.387 -1.309 20 0 CAADRP C[C@@H](CNC(=O)C(=O)NC[C@@H]1COCC[NH2+]1)[N@H+](C)C1CC1 ZINC000627372750 374116814 /nfs/dbraw/zinc/11/68/14/374116814.db2.gz WDFQOBNSROXWBP-WDEREUQCSA-N 2 0 298.387 -1.310 20 0 CAADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@@H]2CC[NH2+]C2)C1 ZINC000627386265 374118118 /nfs/dbraw/zinc/11/81/18/374118118.db2.gz KNRCFFJMYFJAEO-MNOVXSKESA-N 2 0 284.360 -1.699 20 0 CAADRP CC[NH+](CC)CCNC(=O)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000627389493 374118856 /nfs/dbraw/zinc/11/88/56/374118856.db2.gz GMVOBEGIZHRALB-LLVKDONJSA-N 2 0 286.376 -1.451 20 0 CAADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)NC[C@H]2COCC[NH2+]2)C1 ZINC000627429057 374122415 /nfs/dbraw/zinc/12/24/15/374122415.db2.gz WPJLMATUZPPYJX-RYUDHWBXSA-N 2 0 298.387 -1.309 20 0 CAADRP C[N@@H+]1CCC[C@H](NC(=O)C(=O)NCC2([NH3+])CCOCC2)C1 ZINC000627452084 374125017 /nfs/dbraw/zinc/12/50/17/374125017.db2.gz AFUWSECOIITSCH-NSHDSACASA-N 2 0 298.387 -1.179 20 0 CAADRP CN(CC[NH+]1CCCC1)C(=O)C(=O)NC[C@H]1COCC[NH2+]1 ZINC000627470311 374127924 /nfs/dbraw/zinc/12/79/24/374127924.db2.gz ORHHKUKIGNBGPD-LBPRGKRZSA-N 2 0 298.387 -1.355 20 0 CAADRP CN(CCC[NH+](C)C)C(=O)C(=O)NC[C@H]1COCC[NH2+]1 ZINC000627470330 374128088 /nfs/dbraw/zinc/12/80/88/374128088.db2.gz PDGHRGFDJYSELM-NSHDSACASA-N 2 0 286.376 -1.499 20 0 CAADRP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000627475867 374130228 /nfs/dbraw/zinc/13/02/28/374130228.db2.gz WEWOCFCIFRHICD-NEPJUHHUSA-N 2 0 298.387 -1.356 20 0 CAADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000627473632 374131965 /nfs/dbraw/zinc/13/19/65/374131965.db2.gz RPMJDRJTVWQKFL-VXGBXAGGSA-N 2 0 298.387 -1.309 20 0 CAADRP Nc1nc(N2CCC[N@H+](CCO)CC2)nc(N)[nH+]1 ZINC000623941215 374093786 /nfs/dbraw/zinc/09/37/86/374093786.db2.gz MKJRKXZXWBWJLU-UHFFFAOYSA-N 2 0 253.310 -1.799 20 0 CAADRP CC[NH+]1CCN([C@H](C)CNc2nc(N)[nH+]c(N)n2)CC1 ZINC000623858564 374094004 /nfs/dbraw/zinc/09/40/04/374094004.db2.gz PLJOICIEQHAKNU-SECBINFHSA-N 2 0 280.380 -1.443 20 0 CAADRP CC[NH+]1CCN([C@@H](C)CNc2nc(N)[nH+]c(N)n2)CC1 ZINC000623858565 374096025 /nfs/dbraw/zinc/09/60/25/374096025.db2.gz PLJOICIEQHAKNU-VIFPVBQESA-N 2 0 280.380 -1.443 20 0 CAADRP C[NH+]1CCC(N2CC[C@@H](Nc3nc(N)[nH+]c(N)n3)C2)CC1 ZINC000623966332 374098203 /nfs/dbraw/zinc/09/82/03/374098203.db2.gz MYEZDAPIESWYLT-SECBINFHSA-N 2 0 292.391 -1.301 20 0 CAADRP C[NH+](C)C1(CNc2nc(N)[nH+]c(N)n2)CCOCC1 ZINC000623970936 374098936 /nfs/dbraw/zinc/09/89/36/374098936.db2.gz FQHKBXHPEKSCLK-UHFFFAOYSA-N 2 0 267.337 -1.359 20 0 CAADRP Nc1nc(N2CC[NH+](C3CCOCC3)CC2)nc(N)[nH+]1 ZINC000624016711 374102646 /nfs/dbraw/zinc/10/26/46/374102646.db2.gz CNOLHAWDDZPDDI-UHFFFAOYSA-N 2 0 279.348 -1.002 20 0 CAADRP C[NH+](C)[C@H]1CCCN(C(=O)C(=O)NC[C@H]2COCC[NH2+]2)C1 ZINC000627475907 374133498 /nfs/dbraw/zinc/13/34/98/374133498.db2.gz WQRHIAAEBHZEMS-RYUDHWBXSA-N 2 0 298.387 -1.356 20 0 CAADRP C[N@@H+]1CCC[C@H](NC(=O)C(=O)NCCOCCC[NH3+])C1 ZINC000627488836 374133592 /nfs/dbraw/zinc/13/35/92/374133592.db2.gz KAOMYQMWNZWOIA-NSHDSACASA-N 2 0 286.376 -1.322 20 0 CAADRP C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)NC[C@H]2COCC[NH2+]2)C1 ZINC000627475906 374133659 /nfs/dbraw/zinc/13/36/59/374133659.db2.gz WQRHIAAEBHZEMS-NWDGAFQWSA-N 2 0 298.387 -1.356 20 0 CAADRP CN(CC[NH+](C)C)C(=O)C(=O)NCCOCCC[NH3+] ZINC000627488156 374133672 /nfs/dbraw/zinc/13/36/72/374133672.db2.gz SGFJZUJXZQEYST-UHFFFAOYSA-N 2 0 274.365 -1.512 20 0 CAADRP Nc1nc(N[C@@H]2CCC[N@H+](CCCO)C2)nc(N)[nH+]1 ZINC000624249108 374108067 /nfs/dbraw/zinc/10/80/67/374108067.db2.gz UKSYQEYRXKWPBE-MRVPVSSYSA-N 2 0 267.337 -1.623 20 0 CAADRP Nc1nc(N[C@@H](CO)C[NH+]2CCCCC2)nc(N)[nH+]1 ZINC000624209609 374108164 /nfs/dbraw/zinc/10/81/64/374108164.db2.gz MFXLAZNPCGGWPP-MRVPVSSYSA-N 2 0 267.337 -1.623 20 0 CAADRP Nc1nc(NC[C@H]2CCC[N@@H+]2CCCO)nc(N)[nH+]1 ZINC000624248525 374108429 /nfs/dbraw/zinc/10/84/29/374108429.db2.gz QTFAKDQMVVUNLL-MRVPVSSYSA-N 2 0 267.337 -1.623 20 0 CAADRP Nc1nc(NC[C@@H]2CCCC[N@@H+]2CCO)nc(N)[nH+]1 ZINC000624248875 374108506 /nfs/dbraw/zinc/10/85/06/374108506.db2.gz HNSLAVFOKIPZGT-QMMMGPOBSA-N 2 0 267.337 -1.623 20 0 CAADRP O=S(=O)(C[C@@H]1C[NH2+]CCO1)N[C@@H]1CCC[NH2+]C1 ZINC000631900505 374151206 /nfs/dbraw/zinc/15/12/06/374151206.db2.gz BXRUWZDHFVPCMO-ZJUUUORDSA-N 2 0 263.363 -1.354 20 0 CAADRP [NH3+][C@H]1CCCN(S(=O)(=O)C[C@@H]2C[NH2+]CCO2)C1 ZINC000631900190 374151310 /nfs/dbraw/zinc/15/13/10/374151310.db2.gz KDKYAOJZJCZCON-UWVGGRQHSA-N 2 0 263.363 -1.272 20 0 CAADRP O=S(=O)(C[C@H]1C[NH2+]CCO1)NC[C@H]1CCC[NH2+]C1 ZINC000631902003 374151373 /nfs/dbraw/zinc/15/13/73/374151373.db2.gz ROMGDVRAQUGOFK-WDEREUQCSA-N 2 0 277.390 -1.106 20 0 CAADRP C[C@H]([NH3+])CCNS(=O)(=O)C[C@H]1C[NH2+]CCO1 ZINC000631902064 374151395 /nfs/dbraw/zinc/15/13/95/374151395.db2.gz CWZPUBXUOMUISU-DTWKUNHWSA-N 2 0 251.352 -1.369 20 0 CAADRP O=S(=O)(C[C@H]1C[NH2+]CCO1)N[C@H]1CCC[NH2+]C1 ZINC000631900504 374151571 /nfs/dbraw/zinc/15/15/71/374151571.db2.gz BXRUWZDHFVPCMO-VHSXEESVSA-N 2 0 263.363 -1.354 20 0 CAADRP CC[NH2+]CCCNS(=O)(=O)C[C@@H]1C[NH2+]CCO1 ZINC000631902236 374151598 /nfs/dbraw/zinc/15/15/98/374151598.db2.gz WDMCNGQWEZZLPR-JTQLQIEISA-N 2 0 265.379 -1.106 20 0 CAADRP C[NH+](C)CCCS(=O)(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000631901646 374151764 /nfs/dbraw/zinc/15/17/64/374151764.db2.gz KCFRIZTUAZTMAU-UHFFFAOYSA-N 2 0 292.405 -1.711 20 0 CAADRP O=S(=O)(C[C@H]1C[NH2+]CCO1)NCC[C@H]1CC[NH2+]C1 ZINC000631903265 374151900 /nfs/dbraw/zinc/15/19/00/374151900.db2.gz DCZTZNWIBFESDM-GHMZBOCLSA-N 2 0 277.390 -1.106 20 0 CAADRP O=S(=O)(C[C@@H]1C[NH2+]CCO1)NC[C@H]1CCC[NH2+]C1 ZINC000631902002 374151954 /nfs/dbraw/zinc/15/19/54/374151954.db2.gz ROMGDVRAQUGOFK-QWRGUYRKSA-N 2 0 277.390 -1.106 20 0 CAADRP C[C@@H]1CN(S(=O)(=O)C[C@H]2C[NH2+]CCO2)[C@H](C)C[NH2+]1 ZINC000631930068 374153557 /nfs/dbraw/zinc/15/35/57/374153557.db2.gz WHVWYHBOYNXWTC-GMTAPVOTSA-N 2 0 277.390 -1.013 20 0 CAADRP CN1CCN(S(=O)(=O)C[C@@H]2C[NH2+]CCO2)[C@@H](C[NH3+])C1 ZINC000631907272 374153898 /nfs/dbraw/zinc/15/38/98/374153898.db2.gz HMUOBYCZSVOOLZ-QWRGUYRKSA-N 2 0 292.405 -2.121 20 0 CAADRP C[C@@H](C[NH3+])CNS(=O)(=O)C[C@H]1C[NH2+]CCO1 ZINC000631931053 374153990 /nfs/dbraw/zinc/15/39/90/374153990.db2.gz FFNJQHWAOIBABM-DTWKUNHWSA-N 2 0 251.352 -1.511 20 0 CAADRP C[C@H](CC[NH3+])NS(=O)(=O)C[C@@H]1C[NH2+]CCO1 ZINC000631931333 374154010 /nfs/dbraw/zinc/15/40/10/374154010.db2.gz ILKOVVXNFDNOHL-BDAKNGLRSA-N 2 0 251.352 -1.369 20 0 CAADRP C[C@@H]1C[C@H](C[NH3+])CN1S(=O)(=O)C[C@@H]1C[NH2+]CCO1 ZINC000631931113 374154101 /nfs/dbraw/zinc/15/41/01/374154101.db2.gz GGTGSYOZZWOGEL-MXWKQRLJSA-N 2 0 277.390 -1.026 20 0 CAADRP [NH3+]C1(CNS(=O)(=O)C[C@H]2C[NH2+]CCO2)CCC1 ZINC000631929546 374154171 /nfs/dbraw/zinc/15/41/71/374154171.db2.gz JBFPAYDJPRMMEQ-SECBINFHSA-N 2 0 263.363 -1.224 20 0 CAADRP C[NH+](C)CCCS(=O)(=O)N1CCO[C@H](C[NH3+])C1 ZINC000631929283 374154574 /nfs/dbraw/zinc/15/45/74/374154574.db2.gz AXASYMNYIGGMPV-SNVBAGLBSA-N 2 0 265.379 -1.073 20 0 CAADRP CN1CCN(S(=O)(=O)C[C@H]2C[NH2+]CCO2)[C@H](C[NH3+])C1 ZINC000631907270 374154651 /nfs/dbraw/zinc/15/46/51/374154651.db2.gz HMUOBYCZSVOOLZ-GHMZBOCLSA-N 2 0 292.405 -2.121 20 0 CAADRP C[C@H](C[NH3+])CNS(=O)(=O)C[C@@H]1C[NH2+]CCO1 ZINC000631931052 374154673 /nfs/dbraw/zinc/15/46/73/374154673.db2.gz FFNJQHWAOIBABM-BDAKNGLRSA-N 2 0 251.352 -1.511 20 0 CAADRP C[C@@]1(C[NH3+])CCN(S(=O)(=O)C[C@H]2C[NH2+]CCO2)C1 ZINC000631935120 374155612 /nfs/dbraw/zinc/15/56/12/374155612.db2.gz DMRIGEYSPFTPQY-MNOVXSKESA-N 2 0 277.390 -1.025 20 0 CAADRP C[C@@H]1[NH2+]CCN(S(=O)(=O)C[C@H]2C[NH2+]CCO2)[C@H]1C ZINC000631936130 374155685 /nfs/dbraw/zinc/15/56/85/374155685.db2.gz UVACAQYPVAVIEW-GARJFASQSA-N 2 0 277.390 -1.013 20 0 CAADRP C[NH2+][C@H]1CCCN(S(=O)(=O)C[C@H]2C[NH2+]CCO2)C1 ZINC000631934076 374155705 /nfs/dbraw/zinc/15/57/05/374155705.db2.gz ONTWYQIWEKBAMP-WDEREUQCSA-N 2 0 277.390 -1.012 20 0 CAADRP CN([C@H](C[NH3+])C1CC1)S(=O)(=O)C[C@H]1C[NH2+]CCO1 ZINC000631938382 374155775 /nfs/dbraw/zinc/15/57/75/374155775.db2.gz BYMSTMHVIVJZCN-GHMZBOCLSA-N 2 0 277.390 -1.026 20 0 CAADRP CC[C@H]([NH3+])CNS(=O)(=O)C[C@H]1C[NH2+]CCO1 ZINC000631939778 374155793 /nfs/dbraw/zinc/15/57/93/374155793.db2.gz JCWGLNJJGHIAHW-DTWKUNHWSA-N 2 0 251.352 -1.369 20 0 CAADRP O=S(=O)(C[C@H]1C[NH2+]CCO1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000631933857 374155840 /nfs/dbraw/zinc/15/58/40/374155840.db2.gz KRWRYRGHWCZEEK-OUAUKWLOSA-N 2 0 275.374 -1.544 20 0 CAADRP C[C@@]1(C[NH3+])CCN(S(=O)(=O)C[C@@H]2C[NH2+]CCO2)C1 ZINC000631935121 374155874 /nfs/dbraw/zinc/15/58/74/374155874.db2.gz DMRIGEYSPFTPQY-QWRGUYRKSA-N 2 0 277.390 -1.025 20 0 CAADRP C[NH+](C)CCCS(=O)(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000631944166 374156137 /nfs/dbraw/zinc/15/61/37/374156137.db2.gz PQTCZCCEIWQTKN-JTQLQIEISA-N 2 0 265.379 -1.154 20 0 CAADRP C[C@@H](NS(=O)(=O)C[C@H]1C[NH2+]CCO1)[C@H](C)[NH3+] ZINC000631939821 374156358 /nfs/dbraw/zinc/15/63/58/374156358.db2.gz KGWZVVZVFAQYIZ-DJLDLDEBSA-N 2 0 251.352 -1.370 20 0 CAADRP COCC[NH2+]CCNS(=O)(=O)N(C)C1CC[NH2+]CC1 ZINC000631933129 374156392 /nfs/dbraw/zinc/15/63/92/374156392.db2.gz CFZKSXYMZGBBEJ-UHFFFAOYSA-N 2 0 294.421 -1.259 20 0 CAADRP C[C@@H](CC[NH3+])NS(=O)(=O)C[C@@H]1C[NH2+]CCO1 ZINC000631931335 374156699 /nfs/dbraw/zinc/15/66/99/374156699.db2.gz ILKOVVXNFDNOHL-IUCAKERBSA-N 2 0 251.352 -1.369 20 0 CAADRP CN(C1C[NH2+]C1)S(=O)(=O)N(C)C1CC[NH2+]CC1 ZINC000631938085 374156737 /nfs/dbraw/zinc/15/67/37/374156737.db2.gz UBOVYFUZMWYOCX-UHFFFAOYSA-N 2 0 262.379 -1.181 20 0 CAADRP O=S(=O)(C[C@H]1C[NH2+]CCO1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000631968889 374158300 /nfs/dbraw/zinc/15/83/00/374158300.db2.gz MSFBTCYMDBUMFK-LPEHRKFASA-N 2 0 261.347 -1.649 20 0 CAADRP C[NH2+]C[C@@H](C)NS(=O)(=O)C[C@H]1C[NH2+]CCO1 ZINC000631952594 374158330 /nfs/dbraw/zinc/15/83/30/374158330.db2.gz NBHBXXSVINKOGU-RKDXNWHRSA-N 2 0 251.352 -1.498 20 0 CAADRP C[NH2+]CCOCCNS(=O)(=O)C[C@H]1C[NH2+]CCO1 ZINC000631954326 374158394 /nfs/dbraw/zinc/15/83/94/374158394.db2.gz IGFXDQXAGZIJLC-SNVBAGLBSA-N 2 0 281.378 -1.870 20 0 CAADRP O=S(=O)(C[C@@H]1C[NH2+]CCO1)NCC12CC(C1)C[NH2+]2 ZINC000631952781 374158714 /nfs/dbraw/zinc/15/87/14/374158714.db2.gz SLVGHPHHJDTYAK-YVNMAJEFSA-N 2 0 275.374 -1.354 20 0 CAADRP C[C@@H]1C[C@@H]([NH3+])CN1S(=O)(=O)C[C@H]1C[NH2+]CCO1 ZINC000631976039 374158776 /nfs/dbraw/zinc/15/87/76/374158776.db2.gz UCMYQVDTTBMTOT-OPRDCNLKSA-N 2 0 263.363 -1.274 20 0 CAADRP CN(CCOCC[NH3+])S(=O)(=O)C[C@H]1C[NH2+]CCO1 ZINC000631956406 374158876 /nfs/dbraw/zinc/15/88/76/374158876.db2.gz VTEQRWDFIFWFRL-SNVBAGLBSA-N 2 0 281.378 -1.788 20 0 CAADRP O=S(=O)(C[C@H]1C[NH2+]CCO1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000631971384 374158931 /nfs/dbraw/zinc/15/89/31/374158931.db2.gz QCCIAGSAFWGLQI-OUAUKWLOSA-N 2 0 275.374 -1.259 20 0 CAADRP C[NH2+]C[C@H](C)NS(=O)(=O)C[C@H]1C[NH2+]CCO1 ZINC000631952592 374159088 /nfs/dbraw/zinc/15/90/88/374159088.db2.gz NBHBXXSVINKOGU-DTWKUNHWSA-N 2 0 251.352 -1.498 20 0 CAADRP C[C@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000633118278 374186940 /nfs/dbraw/zinc/18/69/40/374186940.db2.gz IVXRXYPUYUODPU-WHOHXGKFSA-N 2 0 296.371 -1.788 20 0 CAADRP C[C@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000633118276 374186975 /nfs/dbraw/zinc/18/69/75/374186975.db2.gz IVXRXYPUYUODPU-FIQHERPVSA-N 2 0 296.371 -1.788 20 0 CAADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000633118277 374187211 /nfs/dbraw/zinc/18/72/11/374187211.db2.gz IVXRXYPUYUODPU-NOOOWODRSA-N 2 0 296.371 -1.788 20 0 CAADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN([C@@H]2COC[C@H]2O)CC1 ZINC000574735230 335043342 /nfs/dbraw/zinc/04/33/42/335043342.db2.gz UFTUVMLLKHGHTP-JHJVBQTASA-N 2 0 283.372 -1.016 20 0 CAADRP CN(CC(N)=O)[C@@H]1CCN(C(=O)COCC[NH+](C)C)C1 ZINC001193487530 781970527 /nfs/dbraw/zinc/97/05/27/781970527.db2.gz AUGGXADTRBVIQW-LLVKDONJSA-N 2 0 286.376 -1.417 20 0 CAADRP C[C@H](C(=O)NC(N)=O)[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000063180359 252077677 /nfs/dbraw/zinc/07/76/77/252077677.db2.gz FHEPOWHMIPZKDY-BDAKNGLRSA-N 2 0 285.348 -1.643 20 0 CAADRP CCNC(=O)NC(=O)C[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000063180493 252077755 /nfs/dbraw/zinc/07/77/55/252077755.db2.gz CBVJUXCYBZCVQN-SNVBAGLBSA-N 2 0 299.375 -1.381 20 0 CAADRP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](CCN2C(=O)CCC2=O)C1 ZINC000063180447 252077953 /nfs/dbraw/zinc/07/79/53/252077953.db2.gz RNNIHCVQRUZFBP-LLVKDONJSA-N 2 0 296.371 -1.078 20 0 CAADRP CNC(=O)NC(=O)CC[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000063180453 252078636 /nfs/dbraw/zinc/07/86/36/252078636.db2.gz ZPDHIHVNHAKMBM-SNVBAGLBSA-N 2 0 299.375 -1.381 20 0 CAADRP CNC(=O)NC(=O)C[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000063179842 252078913 /nfs/dbraw/zinc/07/89/13/252078913.db2.gz GAAZWDNXEVSUCF-VIFPVBQESA-N 2 0 285.348 -1.771 20 0 CAADRP CS(=O)(=O)N[C@H]1CC[N@H+](CCOCC[NH3+])C1 ZINC000357089902 252145309 /nfs/dbraw/zinc/14/53/09/252145309.db2.gz ZTIMSYXUSROBBY-VIFPVBQESA-N 2 0 251.352 -1.415 20 0 CAADRP CNS(=O)(=O)C[C@@H]1CCC[N@@H+]1CCOCC[NH3+] ZINC000357074356 252145708 /nfs/dbraw/zinc/14/57/08/252145708.db2.gz GNPXEPQOCJCXJT-JTQLQIEISA-N 2 0 265.379 -1.025 20 0 CAADRP COC[C@@]1(CNC(=O)[C@@H]2C[NH2+]CCO2)CCC[NH2+]1 ZINC000357277405 252147168 /nfs/dbraw/zinc/14/71/68/252147168.db2.gz XBAOJOHYDFVOLS-JQWIXIFHSA-N 2 0 257.334 -1.140 20 0 CAADRP COCC[N@H+](C)CCCNC(=O)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000357928970 252154083 /nfs/dbraw/zinc/15/40/83/252154083.db2.gz MUBNJWZGSFTBMF-QWRGUYRKSA-N 2 0 259.350 -1.206 20 0 CAADRP CC[NH+]1CCN(CC(=O)N2CCO[C@H](C[NH3+])C2)CC1 ZINC000358510681 252155746 /nfs/dbraw/zinc/15/57/46/252155746.db2.gz LTBZXYJFLMXZRL-GFCCVEGCSA-N 2 0 270.377 -1.190 20 0 CAADRP C[NH+](C)CCN1C(=O)C[C@H]([NH+]2CCC(C(N)=O)CC2)C1=O ZINC000359230568 252159702 /nfs/dbraw/zinc/15/97/02/252159702.db2.gz QUETWYSYUWPFRH-NSHDSACASA-N 2 0 296.371 -1.127 20 0 CAADRP Cn1cc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c(=O)n(C)c1=O ZINC000359457177 252161436 /nfs/dbraw/zinc/16/14/36/252161436.db2.gz HWRIZXVMLNIAOC-AOOOYVTPSA-N 2 0 264.329 -1.265 20 0 CAADRP Cn1cc(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)c(=O)n(C)c1=O ZINC000359457178 252161485 /nfs/dbraw/zinc/16/14/85/252161485.db2.gz HWRIZXVMLNIAOC-NXEZZACHSA-N 2 0 264.329 -1.265 20 0 CAADRP CC(CNC(=O)C[NH+](C)C)CNC(=O)C[NH+](C)C ZINC000360623891 252168101 /nfs/dbraw/zinc/16/81/01/252168101.db2.gz BWENZTRMIHGLER-UHFFFAOYSA-N 2 0 258.366 -1.022 20 0 CAADRP C[NH+](C)CCN1C[C@@H](C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)CC1=O ZINC000366462193 252181758 /nfs/dbraw/zinc/18/17/58/252181758.db2.gz NGRGAQMCKKOKOL-MEWQQHAOSA-N 2 0 280.372 -1.270 20 0 CAADRP CNC(=O)[C@H]1CN(CCC(=O)N2CCN(C)CC2)CCO1 ZINC000364960633 252181902 /nfs/dbraw/zinc/18/19/02/252181902.db2.gz ZTGDOFCIMLPPLB-GFCCVEGCSA-N 2 0 298.387 -1.403 20 0 CAADRP COCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2C[NH2+]CCO2)C1 ZINC000372500746 252196242 /nfs/dbraw/zinc/19/62/42/252196242.db2.gz DTBJLSLTMUHLEO-GHMZBOCLSA-N 2 0 257.334 -1.188 20 0 CAADRP COCC[N@@H+]1CC[C@H](NC(=O)[C@H]2COCCN2)C1 ZINC000376719547 252203273 /nfs/dbraw/zinc/20/32/73/252203273.db2.gz DKQNZHJPWRRGQS-WDEREUQCSA-N 2 0 257.334 -1.188 20 0 CAADRP COCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2COCCN2)C1 ZINC000376719545 252204329 /nfs/dbraw/zinc/20/43/29/252204329.db2.gz DKQNZHJPWRRGQS-QWRGUYRKSA-N 2 0 257.334 -1.188 20 0 CAADRP C[NH+](C)C[C@@](C)(O)CNC(=O)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000378307824 252207770 /nfs/dbraw/zinc/20/77/70/252207770.db2.gz QHENGAVCZYQORR-JSGCOSHPSA-N 2 0 284.404 -1.195 20 0 CAADRP CC(=O)NCC[NH2+][C@H]1CC(=O)N(CCC[NH+](C)C)C1=O ZINC000516191599 252254006 /nfs/dbraw/zinc/25/40/06/252254006.db2.gz RSXWFOCZAASCIK-NSHDSACASA-N 2 0 284.360 -1.209 20 0 CAADRP [NH3+]CCOCC[N@@H+]1CCC[C@@H](N2CCNCC2=O)C1 ZINC000516468607 252255442 /nfs/dbraw/zinc/25/54/42/252255442.db2.gz ZZTPSJMJIFXWMJ-GFCCVEGCSA-N 2 0 270.377 -1.142 20 0 CAADRP COC[C@@]1(C(=O)N(C)CC(=O)N2CC[NH2+]CC2)CC[NH2+]C1 ZINC000515056715 252252474 /nfs/dbraw/zinc/25/24/74/252252474.db2.gz OFHKRPXTSVKLPU-CQSZACIVSA-N 2 0 298.387 -1.497 20 0 CAADRP C[C@@]1(C(=O)NCC(=O)N2CC[NH2+]CC2)CC[NH2+]C1 ZINC000515165675 252252480 /nfs/dbraw/zinc/25/24/80/252252480.db2.gz VVKCBQAVSPADHZ-GFCCVEGCSA-N 2 0 254.334 -1.466 20 0 CAADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CC[NH2+]C[C@@H]2C)C1 ZINC000419727457 532975751 /nfs/dbraw/zinc/97/57/51/532975751.db2.gz LJGVKCWLMLQHDC-NWDGAFQWSA-N 2 0 298.387 -1.356 20 0 CAADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CC[NH2+]C[C@H]2C)C1 ZINC000419727459 532975174 /nfs/dbraw/zinc/97/51/74/532975174.db2.gz LJGVKCWLMLQHDC-VXGBXAGGSA-N 2 0 298.387 -1.356 20 0 CAADRP CC[C@H](C(=O)N[C@@H]1C[N@H+](CCCO)C[C@H]1O)[NH+](C)C ZINC001194095914 781984358 /nfs/dbraw/zinc/98/43/58/781984358.db2.gz VSYYVWIZEYIKQQ-IJLUTSLNSA-N 2 0 273.377 -1.130 20 0 CAADRP COCC[N@H+](C)CCCNC(=O)CNC(=O)C[NH3+] ZINC000347652585 533311192 /nfs/dbraw/zinc/31/11/92/533311192.db2.gz JUVXVLJJHRCWJX-UHFFFAOYSA-N 2 0 260.338 -1.854 20 0 CAADRP C[C@@H]1C[C@@H](NC(=O)CNC(=O)C[NH3+])C[N@@H+]1C1CC1 ZINC000347662788 533604460 /nfs/dbraw/zinc/60/44/60/533604460.db2.gz FCBXRIHLLVHBBR-RKDXNWHRSA-N 2 0 254.334 -1.197 20 0 CAADRP CC[N@H+](C)CCNc1nc(NCCO)[nH+]c(NC(C)C)n1 ZINC000341801194 130038883 /nfs/dbraw/zinc/03/88/83/130038883.db2.gz TVQSWENDWBXGHF-UHFFFAOYSA-N 2 0 297.407 -1.275 20 0 CAADRP Cn1cc(C(=O)N(CCCC[NH3+])C(N)=[NH2+])c(=O)n(C)c1=O ZINC001195541902 782008491 /nfs/dbraw/zinc/00/84/91/782008491.db2.gz YYQCJWZKSDKDHR-UHFFFAOYSA-N 2 0 296.331 -1.841 20 0 CAADRP C[NH+](C)CC1(C(=O)N[C@@H]2C[N@H+](CCCO)C[C@H]2O)CC1 ZINC001195676545 782011103 /nfs/dbraw/zinc/01/11/03/782011103.db2.gz GBIVPZDJPAIEEI-VXGBXAGGSA-N 2 0 285.388 -1.128 20 0 CAADRP CC1(OCC(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)C[NH2+]C1 ZINC000648136246 409322711 /nfs/dbraw/zinc/32/27/11/409322711.db2.gz LTJOGFVDBICEHY-LBPRGKRZSA-N 2 0 282.388 -1.129 20 0 CAADRP [NH3+]CCN(C[C@H](O)CO)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662285888 409324675 /nfs/dbraw/zinc/32/46/75/409324675.db2.gz LCGZEJVSCLJDTD-WDEREUQCSA-N 2 0 259.350 -1.879 20 0 CAADRP C[C@@H]1CC[NH2+][C@@H](C(=O)NCC(=O)N2CC[NH2+]CC2)C1 ZINC000647689903 409383686 /nfs/dbraw/zinc/38/36/86/409383686.db2.gz OUXKHWFTYLAXTB-GHMZBOCLSA-N 2 0 268.361 -1.078 20 0 CAADRP C[C@H]1CC[NH2+][C@@H](C(=O)NCC(=O)N2CC[NH2+]CC2)C1 ZINC000647689906 409383955 /nfs/dbraw/zinc/38/39/55/409383955.db2.gz OUXKHWFTYLAXTB-WDEREUQCSA-N 2 0 268.361 -1.078 20 0 CAADRP CN(CC(=O)N1CC[NH2+]CC1)C(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000647689147 409383993 /nfs/dbraw/zinc/38/39/93/409383993.db2.gz WJNQHWNXBGUQLF-IAZYJMLFSA-N 2 0 266.345 -1.658 20 0 CAADRP C[C@@H]1[C@H](C(=O)NCC(=O)N2CC[NH2+]CC2)CC[N@@H+]1C ZINC000647690359 409384247 /nfs/dbraw/zinc/38/42/47/409384247.db2.gz HTZRBXXGEUYDNE-GHMZBOCLSA-N 2 0 268.361 -1.125 20 0 CAADRP C[C@@H]1CC[NH2+][C@H](C(=O)NCC(=O)N2CC[NH2+]CC2)C1 ZINC000647689904 409384341 /nfs/dbraw/zinc/38/43/41/409384341.db2.gz OUXKHWFTYLAXTB-MNOVXSKESA-N 2 0 268.361 -1.078 20 0 CAADRP CCO[C@@H]1CN(C(=O)NC[C@H]2C[NH2+]CCO2)C[C@H]1C[NH3+] ZINC000652223374 409392988 /nfs/dbraw/zinc/39/29/88/409392988.db2.gz DPUWKPIWMCFJHC-IJLUTSLNSA-N 2 0 286.376 -1.020 20 0 CAADRP [NH3+]C[C@@H](NC(=O)CNC(=O)[C@@H]1CCC[NH2+]1)C(F)(F)F ZINC000655516825 409393970 /nfs/dbraw/zinc/39/39/70/409393970.db2.gz ZNQPCYZKYNIKBF-NKWVEPMBSA-N 2 0 282.266 -1.140 20 0 CAADRP CCO[C@@H]1CN(C(=O)NC[C@@H]2C[NH2+]CCO2)C[C@H]1C[NH3+] ZINC000652223373 409394771 /nfs/dbraw/zinc/39/47/71/409394771.db2.gz DPUWKPIWMCFJHC-GRYCIOLGSA-N 2 0 286.376 -1.020 20 0 CAADRP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000647083974 409330629 /nfs/dbraw/zinc/33/06/29/409330629.db2.gz FSCFEAHKIUFSTK-VWYCJHECSA-N 2 0 266.345 -1.325 20 0 CAADRP C[NH+]1CCN(CCCNC(=O)[C@]23C[NH2+]C[C@H]2COC3)CC1 ZINC000653124165 409331769 /nfs/dbraw/zinc/33/17/69/409331769.db2.gz SBQVHBGXQMEWTL-ZFWWWQNUSA-N 2 0 296.415 -1.024 20 0 CAADRP COCC[N@H+](C)CCNC(=O)[C@@H](N)CC[NH+](C)C ZINC000653114653 409332733 /nfs/dbraw/zinc/33/27/33/409332733.db2.gz QPCVBFLLZSMYDK-NSHDSACASA-N 2 0 260.382 -1.040 20 0 CAADRP C[C@H](CNC(=O)[C@]12C[NH2+]C[C@H]1COC2)N1CC[NH+](C)CC1 ZINC000653124888 409333231 /nfs/dbraw/zinc/33/32/31/409333231.db2.gz KQTMUEGXVQRKQI-IPYPFGDCSA-N 2 0 296.415 -1.026 20 0 CAADRP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)[C@H]1C[NH2+]CCO1 ZINC000662660917 409333448 /nfs/dbraw/zinc/33/34/48/409333448.db2.gz ZUEXMKHMOHRITI-LLVKDONJSA-N 2 0 286.376 -1.547 20 0 CAADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653125348 409333806 /nfs/dbraw/zinc/33/38/06/409333806.db2.gz WSQQZXFITJVTQV-OBJOEFQTSA-N 2 0 282.388 -1.416 20 0 CAADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653125353 409333841 /nfs/dbraw/zinc/33/38/41/409333841.db2.gz WSQQZXFITJVTQV-SCRDCRAPSA-N 2 0 282.388 -1.416 20 0 CAADRP CN(CCC[NH3+])C(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000662965393 409338234 /nfs/dbraw/zinc/33/82/34/409338234.db2.gz JLTSCYNEWZRUFH-WDEREUQCSA-N 2 0 284.360 -1.929 20 0 CAADRP [NH3+]C[C@H]1CN(C(=O)[C@]23C[NH2+]C[C@H]2COC3)CCCO1 ZINC000653163860 409342129 /nfs/dbraw/zinc/34/21/29/409342129.db2.gz XCWSYFPJSWXXEU-GVXVVHGQSA-N 2 0 269.345 -1.201 20 0 CAADRP CN(CC(=O)N1CC[NH2+]CC1)C[C@@]12C[C@@H]1C[NH2+]C2 ZINC000663496582 409344063 /nfs/dbraw/zinc/34/40/63/409344063.db2.gz WQYFSMWJRJKQHG-YPMHNXCESA-N 2 0 252.362 -1.041 20 0 CAADRP CC1(C)C[NH2+][C@H]1C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000644098042 409350772 /nfs/dbraw/zinc/35/07/72/409350772.db2.gz ACABDXJPOOMMKB-JTQLQIEISA-N 2 0 254.334 -1.468 20 0 CAADRP CC1(C)C[NH2+][C@@H]1C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000644098043 409350874 /nfs/dbraw/zinc/35/08/74/409350874.db2.gz ACABDXJPOOMMKB-SNVBAGLBSA-N 2 0 254.334 -1.468 20 0 CAADRP CC1(OCC(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)C[NH2+]C1 ZINC000647728272 409401552 /nfs/dbraw/zinc/40/15/52/409401552.db2.gz USVIGITUGWUHFI-NSHDSACASA-N 2 0 298.387 -1.322 20 0 CAADRP C[N@H+](CCN1C(=O)CNC1=O)CCN1CC[NH2+]CC1 ZINC000071150315 409402783 /nfs/dbraw/zinc/40/27/83/409402783.db2.gz IWGCFDVZZHIDBO-UHFFFAOYSA-N 2 0 269.349 -1.625 20 0 CAADRP CN(CC(=O)N1CC[NH2+]CC1)C(=O)[C@H]1[NH2+]CC1(C)C ZINC000645134193 409408455 /nfs/dbraw/zinc/40/84/55/409408455.db2.gz ADTPOEBPYNCFIH-LLVKDONJSA-N 2 0 268.361 -1.125 20 0 CAADRP C[C@H]1[NH2+]CC[C@@H]1C(=O)N(C)CC(=O)N1CC[NH2+]CC1 ZINC000645134221 409408840 /nfs/dbraw/zinc/40/88/40/409408840.db2.gz ALSWAZKSNHDKFU-MNOVXSKESA-N 2 0 268.361 -1.125 20 0 CAADRP CN(CCN1CC[NH2+]CC1)C(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000647777665 409409259 /nfs/dbraw/zinc/40/92/59/409409259.db2.gz VQWHBKGVCJQKJR-LBPRGKRZSA-N 2 0 297.403 -1.782 20 0 CAADRP CCN1C(=O)[C@H]2C[N@H+](CCOCC[NH3+])CCN2C1=O ZINC000647891543 409414069 /nfs/dbraw/zinc/41/40/69/409414069.db2.gz OSKKRQULWOYCDB-SNVBAGLBSA-N 2 0 270.333 -1.070 20 0 CAADRP CO[C@H]1C[NH2+][C@@H](C(=O)N2CCO[C@H]([C@@H](C)[NH3+])C2)C1 ZINC000647877292 409414301 /nfs/dbraw/zinc/41/43/01/409414301.db2.gz NACFSYMGSXSHGT-DBIOUOCHSA-N 2 0 257.334 -1.062 20 0 CAADRP C[C@@H]([NH3+])[C@H]1CN(CCC(=O)N2CC[NH2+]CC2)CCO1 ZINC000647865169 409414320 /nfs/dbraw/zinc/41/43/20/409414320.db2.gz AWYBNYDTTKFBPE-VXGBXAGGSA-N 2 0 270.377 -1.144 20 0 CAADRP CN(CC(=O)N1CCN(C)C[C@@H]1C[NH3+])C(=O)C1CC1 ZINC000647872613 409414787 /nfs/dbraw/zinc/41/47/87/409414787.db2.gz HMPBQEUAHBSHNW-NSHDSACASA-N 2 0 268.361 -1.044 20 0 CAADRP C[C@H]([NH3+])[C@H]1CN(CCC(=O)N2CC[NH2+]CC2)CCO1 ZINC000647865167 409414997 /nfs/dbraw/zinc/41/49/97/409414997.db2.gz AWYBNYDTTKFBPE-NWDGAFQWSA-N 2 0 270.377 -1.144 20 0 CAADRP C[C@@H]([NH3+])[C@H]1CN(C(=O)COC2(C)C[NH2+]C2)CCO1 ZINC000647877470 409415070 /nfs/dbraw/zinc/41/50/70/409415070.db2.gz RHSDXVQUVYFSDA-NXEZZACHSA-N 2 0 257.334 -1.061 20 0 CAADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)COC2(C)C[NH2+]C2)CCO1 ZINC000647877471 409415194 /nfs/dbraw/zinc/41/51/94/409415194.db2.gz RHSDXVQUVYFSDA-UWVGGRQHSA-N 2 0 257.334 -1.061 20 0 CAADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000647876813 409415413 /nfs/dbraw/zinc/41/54/13/409415413.db2.gz AOEKAQWHPCKVIL-NHCYSSNCSA-N 2 0 286.376 -1.340 20 0 CAADRP CS(=O)(=O)N[C@H]1CCCN(CCOCC[NH3+])C1 ZINC000647877180 409415740 /nfs/dbraw/zinc/41/57/40/409415740.db2.gz KFVHGIHTFCYTTG-JTQLQIEISA-N 2 0 265.379 -1.025 20 0 CAADRP [NH3+]CC12CC(C1)CN2C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000659507046 409418599 /nfs/dbraw/zinc/41/85/99/409418599.db2.gz FRNMPXALKOUHMT-UHFFFAOYSA-N 2 0 281.360 -1.449 20 0 CAADRP C[C@H]([NH3+])CNC(=O)N(CC[NH+](C)C)CC(=O)N(C)C ZINC000659535590 409420904 /nfs/dbraw/zinc/42/09/04/409420904.db2.gz ALQSVLFKPBPHNG-JTQLQIEISA-N 2 0 273.381 -1.005 20 0 CAADRP CCNC(=O)C[N@H+](C)CCC(=O)N1CC[NH2+]CC1 ZINC000053298849 409424531 /nfs/dbraw/zinc/42/45/31/409424531.db2.gz KNGIJBARLHAYSG-UHFFFAOYSA-N 2 0 256.350 -1.124 20 0 CAADRP C[NH+]1CCN(CCNC(=O)CCOC2C[NH2+]C2)CC1 ZINC000349000310 409442092 /nfs/dbraw/zinc/44/20/92/409442092.db2.gz MPNUQBLSINCFOD-UHFFFAOYSA-N 2 0 270.377 -1.272 20 0 CAADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)CCOC1C[NH2+]C1 ZINC000348986156 409443427 /nfs/dbraw/zinc/44/34/27/409443427.db2.gz BJNMHBUGHJYZRX-LLVKDONJSA-N 2 0 270.377 -1.273 20 0 CAADRP CN1CC[NH2+]C[C@@H]1CNC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000520228281 409446745 /nfs/dbraw/zinc/44/67/45/409446745.db2.gz DPGQGQGHHGVRFC-NEPJUHHUSA-N 2 0 297.403 -1.736 20 0 CAADRP CN1CCN(C(=O)CNC(=O)[C@@H]2CCC[NH2+]2)[C@@H](C[NH3+])C1 ZINC000519600101 409448030 /nfs/dbraw/zinc/44/80/30/409448030.db2.gz NUBAHOQJJUWGBM-QWRGUYRKSA-N 3 0 283.376 -2.044 20 0 CAADRP CN1CCN(C(=O)CNC(=O)[C@H]2CCC[NH2+]2)[C@H](C[NH3+])C1 ZINC000519600030 409448367 /nfs/dbraw/zinc/44/83/67/409448367.db2.gz NUBAHOQJJUWGBM-GHMZBOCLSA-N 3 0 283.376 -2.044 20 0 CAADRP CN(CC(=O)N1CC[NH2+]CC1)C(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653045759 409471865 /nfs/dbraw/zinc/47/18/65/409471865.db2.gz KCMBJFWJNLXGRR-FZMZJTMJSA-N 2 0 296.371 -1.887 20 0 CAADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)NC2C[NH2+]C2)C1 ZINC000659715392 409472027 /nfs/dbraw/zinc/47/20/27/409472027.db2.gz SZYRXATXSNQKIA-VIFPVBQESA-N 2 0 254.334 -1.325 20 0 CAADRP C[C@@H]([NH3+])[C@@H]1CN(C(=O)[C@]23C[NH2+]C[C@H]2COC3)CCO1 ZINC000653056025 409472177 /nfs/dbraw/zinc/47/21/77/409472177.db2.gz RQKUMQUMBIBJHB-BLFANLJRSA-N 2 0 269.345 -1.203 20 0 CAADRP C[C@H]([NH3+])[C@H]1CN(C(=O)[C@]23C[NH2+]C[C@H]2COC3)CCO1 ZINC000653056026 409472575 /nfs/dbraw/zinc/47/25/75/409472575.db2.gz RQKUMQUMBIBJHB-KQXIARHKSA-N 2 0 269.345 -1.203 20 0 CAADRP COCC[N@H+](C)CCNC(=O)C(=O)N(C)CC(C)(C)[NH3+] ZINC000659696701 409470707 /nfs/dbraw/zinc/47/07/07/409470707.db2.gz OWJMMNAZWJXPMO-UHFFFAOYSA-N 2 0 288.392 -1.124 20 0 CAADRP CC(C)[C@H]1CN(C)CCN1C(=O)C(=O)NCC[NH3+] ZINC000419824661 409476312 /nfs/dbraw/zinc/47/63/12/409476312.db2.gz ZUHIMQDTFIBQBG-SNVBAGLBSA-N 2 0 256.350 -1.140 20 0 CAADRP C[NH2+]C[C@@H](C)NC(=O)C(=O)N1CCN([C@@H]2CCOC2)CC1 ZINC000659753236 409477112 /nfs/dbraw/zinc/47/71/12/409477112.db2.gz MIMSVWDTMDBFBY-VXGBXAGGSA-N 2 0 298.387 -1.356 20 0 CAADRP CC(C)[C@@H]1CN(C(=O)C(=O)NCC[NH3+])CCN1C ZINC000419841917 409477149 /nfs/dbraw/zinc/47/71/49/409477149.db2.gz VBMQWYDZOFERQR-JTQLQIEISA-N 2 0 256.350 -1.140 20 0 CAADRP C[N@@H+]1CC[C@@H]2OCCN(C(=O)[C@H]3C[NH2+]CCO3)[C@H]2C1 ZINC000424186722 409478980 /nfs/dbraw/zinc/47/89/80/409478980.db2.gz TVUCXPWGTADKGH-SDDRHHMPSA-N 2 0 269.345 -1.094 20 0 CAADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)C1 ZINC000659738128 409474689 /nfs/dbraw/zinc/47/46/89/409474689.db2.gz AGGABRZXPDWZNY-RYUDHWBXSA-N 2 0 298.387 -1.227 20 0 CAADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCO[C@H](C[NH3+])C2)C1 ZINC000659738127 409474716 /nfs/dbraw/zinc/47/47/16/409474716.db2.gz AGGABRZXPDWZNY-NWDGAFQWSA-N 2 0 298.387 -1.227 20 0 CAADRP C[C@@H]1CN(C(=O)CNC(=O)[C@H]2CCC[NH2+]2)CC[NH2+]1 ZINC000646320406 409487477 /nfs/dbraw/zinc/48/74/77/409487477.db2.gz HDSXPUUTZQSWLC-NXEZZACHSA-N 2 0 254.334 -1.325 20 0 CAADRP C[C@@H]1CN(C(=O)CNC(=O)[C@@H]2CCC[NH2+]2)CC[NH2+]1 ZINC000646320407 409488085 /nfs/dbraw/zinc/48/80/85/409488085.db2.gz HDSXPUUTZQSWLC-ZJUUUORDSA-N 2 0 254.334 -1.325 20 0 CAADRP C[NH2+]CCC(=O)Nc1nc(N2CC[NH2+]CC2)n[nH]1 ZINC000646803697 409495789 /nfs/dbraw/zinc/49/57/89/409495789.db2.gz CIGPGTDELUZGLA-UHFFFAOYSA-N 2 0 253.310 -1.238 20 0 CAADRP CN1CCN(C(=O)C[NH2+]C[C@H]2CCCO2)[C@H](C[NH3+])C1 ZINC000646835535 409496143 /nfs/dbraw/zinc/49/61/43/409496143.db2.gz ZDOGXVFAGRLNCT-VXGBXAGGSA-N 2 0 270.377 -1.144 20 0 CAADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)CNC(=O)[C@H]2CCC[NH2+]2)CCO1 ZINC000646843965 409497013 /nfs/dbraw/zinc/49/70/13/409497013.db2.gz MTVXVFLBSCOSHQ-AXFHLTTASA-N 2 0 284.360 -1.571 20 0 CAADRP C[C@H]([NH3+])[C@H]1CN(C(=O)CCNC(=O)[C@H]2CCC[NH2+]2)CCO1 ZINC000646843311 409497067 /nfs/dbraw/zinc/49/70/67/409497067.db2.gz IKELBWKOGSMFGU-QJPTWQEYSA-N 2 0 298.387 -1.181 20 0 CAADRP [NH3+]C1(CC(=O)NCC(=O)N2CC[NH2+]CC2)CCC1 ZINC000646637980 409492633 /nfs/dbraw/zinc/49/26/33/409492633.db2.gz QPJUQOGRYJOXNO-UHFFFAOYSA-N 2 0 254.334 -1.194 20 0 CAADRP C[C@@H]1C[NH2+]CCN1C(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000646657915 409492682 /nfs/dbraw/zinc/49/26/82/409492682.db2.gz APJWBVWCDKGCJI-NXEZZACHSA-N 2 0 254.334 -1.325 20 0 CAADRP [NH3+][C@@H]1C[C@@H]1C(=O)Nc1nc(N2CC[NH2+]CC2)n[nH]1 ZINC000646801494 409494152 /nfs/dbraw/zinc/49/41/52/409494152.db2.gz OCUTWCUGHOPLBS-NKWVEPMBSA-N 2 0 251.294 -1.500 20 0 CAADRP C[NH2+]CCNC(=O)N(CC[NH+](C)C)CC(=O)N(C)C ZINC000659514737 409557467 /nfs/dbraw/zinc/55/74/67/409557467.db2.gz NWFVLUNDKYHVFK-UHFFFAOYSA-N 2 0 273.381 -1.133 20 0 CAADRP C[NH2+]C[C@@H](C)NC(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000659509102 409558387 /nfs/dbraw/zinc/55/83/87/409558387.db2.gz VTPALYWDLUJUJH-SECBINFHSA-N 2 0 257.338 -1.675 20 0 CAADRP C[NH2+]C[C@H](C)NC(=O)C(=O)NCC[N@H+](C)C1CC1 ZINC000659685113 409560699 /nfs/dbraw/zinc/56/06/99/409560699.db2.gz NXWJHFOXYXMTJS-VIFPVBQESA-N 2 0 256.350 -1.079 20 0 CAADRP C[C@H](NC(=O)C(=O)N(C)CCC[NH3+])[C@@H]1CN(C)CCO1 ZINC000659698446 409563896 /nfs/dbraw/zinc/56/38/96/409563896.db2.gz ZWMAJQAVFNYFBD-QWRGUYRKSA-N 2 0 286.376 -1.371 20 0 CAADRP C[NH2+]C[C@H](C)NC(=O)C(=O)N[C@H](C)[C@@H]1CN(C)CCO1 ZINC000659697694 409564058 /nfs/dbraw/zinc/56/40/58/409564058.db2.gz UGTLATITXNOEDV-AXFHLTTASA-N 2 0 286.376 -1.454 20 0 CAADRP C[NH+](C)CCOCCNC(=O)C(=O)N1CC2CC1(C[NH3+])C2 ZINC000659707196 409564379 /nfs/dbraw/zinc/56/43/79/409564379.db2.gz BHYZPZAAYPIRIV-UHFFFAOYSA-N 2 0 298.387 -1.370 20 0 CAADRP C[C@@H](NC(=O)C(=O)N[C@H]1CC[NH2+]C1)[C@H]1CN(C)CCO1 ZINC000659697768 409565289 /nfs/dbraw/zinc/56/52/89/409565289.db2.gz VIBTUBHNZYBZEE-OUAUKWLOSA-N 2 0 284.360 -1.700 20 0 CAADRP CN(CC(C)(C)[NH3+])C(=O)C(=O)NCCOCC[NH+](C)C ZINC000659707484 409565354 /nfs/dbraw/zinc/56/53/54/409565354.db2.gz DTTUSJYWWNAHBS-UHFFFAOYSA-N 2 0 288.392 -1.124 20 0 CAADRP C[C@H](NC(=O)C(=O)N[C@H]1CC[NH2+]C1)[C@@H]1CN(C)CCO1 ZINC000659697760 409565735 /nfs/dbraw/zinc/56/57/35/409565735.db2.gz VIBTUBHNZYBZEE-DCAQKATOSA-N 2 0 284.360 -1.700 20 0 CAADRP C[NH2+]C[C@@H](C)NC(=O)C(=O)NCCOCC[NH+](C)C ZINC000659708583 409566639 /nfs/dbraw/zinc/56/66/39/409566639.db2.gz WVAKVOSYFPYGBN-SNVBAGLBSA-N 2 0 274.365 -1.595 20 0 CAADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)C[C@@H]2C[NH2+]CCO2)CCO1 ZINC000646843843 409497572 /nfs/dbraw/zinc/49/75/72/409497572.db2.gz MMISKXBHLPPILI-AXFHLTTASA-N 2 0 257.334 -1.061 20 0 CAADRP C[C@H]1CN(C(=O)CNC(=O)[C@@H]2CCC[NH2+]2)CC[NH2+]1 ZINC000573442214 409510221 /nfs/dbraw/zinc/51/02/21/409510221.db2.gz HDSXPUUTZQSWLC-UWVGGRQHSA-N 2 0 254.334 -1.325 20 0 CAADRP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NC[C@@H]2C[NH2+]CCO2)C1 ZINC000659730067 409568012 /nfs/dbraw/zinc/56/80/12/409568012.db2.gz UWGKXZZNUNMQEG-NEPJUHHUSA-N 2 0 298.387 -1.309 20 0 CAADRP O=C(NCCN1CC[NH2+]CC1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000655961262 409520370 /nfs/dbraw/zinc/52/03/70/409520370.db2.gz LCIMLLSPLJKELU-QWHCGFSZSA-N 2 0 297.403 -1.648 20 0 CAADRP O=C(N[C@H]1CC[NH2+]C1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000655963809 409521826 /nfs/dbraw/zinc/52/18/26/409521826.db2.gz LWQUEOJUNZOKGY-GARJFASQSA-N 2 0 254.334 -1.191 20 0 CAADRP CC[NH2+]CCNC(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000656021901 409525267 /nfs/dbraw/zinc/52/52/67/409525267.db2.gz OBNKEUZCOCZACP-WDEREUQCSA-N 2 0 284.360 -2.011 20 0 CAADRP CC[NH2+]CCCNC(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000656020975 409525716 /nfs/dbraw/zinc/52/57/16/409525716.db2.gz ZNBNEBATZXBWGO-NWDGAFQWSA-N 2 0 298.387 -1.620 20 0 CAADRP C[C@H](C[NH3+])NC(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000656022686 409525966 /nfs/dbraw/zinc/52/59/66/409525966.db2.gz JUAXQPMTHOWCTK-KXUCPTDWSA-N 2 0 270.333 -2.273 20 0 CAADRP O=C(NC[C@@H]1CCC[NH2+]1)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000656021899 409526108 /nfs/dbraw/zinc/52/61/08/409526108.db2.gz NXFXZGJZFIHSPY-SDDRHHMPSA-N 2 0 296.371 -1.868 20 0 CAADRP [NH3+][C@@H](CNC(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)C1CC1 ZINC000656019736 409526269 /nfs/dbraw/zinc/52/62/69/409526269.db2.gz IHFJYEVQFODVJM-TUAOUCFPSA-N 2 0 296.371 -1.883 20 0 CAADRP C[C@H](CNC(=O)C(=O)NCC[NH3+])N1C[C@@H](C)O[C@@H](C)C1 ZINC000656018162 409526537 /nfs/dbraw/zinc/52/65/37/409526537.db2.gz PXUHVUWALKNNAZ-MXWKQRLJSA-N 2 0 286.376 -1.325 20 0 CAADRP C[C@@H]([NH3+])C[C@@H](C)NC(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000656024918 409526572 /nfs/dbraw/zinc/52/65/72/409526572.db2.gz XOPIWMFWFNTDHW-WISYIIOYSA-N 2 0 298.387 -1.494 20 0 CAADRP [NH3+][C@H](CNC(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)C1CC1 ZINC000656019735 409526747 /nfs/dbraw/zinc/52/67/47/409526747.db2.gz IHFJYEVQFODVJM-QJPTWQEYSA-N 2 0 296.371 -1.883 20 0 CAADRP C[C@@H](C[NH3+])CNC(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000656023235 409526815 /nfs/dbraw/zinc/52/68/15/409526815.db2.gz ZNTSIHKGTZWCOX-GARJFASQSA-N 2 0 284.360 -2.025 20 0 CAADRP C[C@H]([NH3+])CNC(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000656021987 409527478 /nfs/dbraw/zinc/52/74/78/409527478.db2.gz QXHYHSVITLBKFV-LPEHRKFASA-N 2 0 270.333 -2.273 20 0 CAADRP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000656102015 409528582 /nfs/dbraw/zinc/52/85/82/409528582.db2.gz ATBMQRLZTSPLSB-GRYCIOLGSA-N 2 0 296.371 -1.916 20 0 CAADRP C[C@H]1CN(C(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)CC[NH2+]1 ZINC000656104109 409531035 /nfs/dbraw/zinc/53/10/35/409531035.db2.gz HMLVNZZQCDGFRC-SDDRHHMPSA-N 2 0 296.371 -1.916 20 0 CAADRP [NH3+][C@H]1CCN(C(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)C1 ZINC000656102373 409531265 /nfs/dbraw/zinc/53/12/65/409531265.db2.gz JESSXOGILUZVAB-GARJFASQSA-N 2 0 282.344 -2.177 20 0 CAADRP CC[NH+](CC)CC[C@H](CO)Nc1nc(N)[nH+]c(N)n1 ZINC000624178882 409546198 /nfs/dbraw/zinc/54/61/98/409546198.db2.gz DINAARCNBMGGLE-MRVPVSSYSA-N 2 0 269.353 -1.377 20 0 CAADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@]1(C)CC[NH2+]C1 ZINC000663012728 409618352 /nfs/dbraw/zinc/61/83/52/409618352.db2.gz YGGRGZMYDVCTEE-CMPLNLGQSA-N 2 0 256.350 -1.046 20 0 CAADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@@]1(C)CC[NH2+]C1 ZINC000663012729 409619221 /nfs/dbraw/zinc/61/92/21/409619221.db2.gz YGGRGZMYDVCTEE-JQWIXIFHSA-N 2 0 256.350 -1.046 20 0 CAADRP C[NH2+]C[C@H](C)NC(=O)C(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000659750267 409571435 /nfs/dbraw/zinc/57/14/35/409571435.db2.gz FRFJONMTVKZJEU-UWVGGRQHSA-N 2 0 256.350 -1.079 20 0 CAADRP C[NH2+]C[C@@H](C)NC(=O)C(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000659750266 409571554 /nfs/dbraw/zinc/57/15/54/409571554.db2.gz FRFJONMTVKZJEU-NXEZZACHSA-N 2 0 256.350 -1.079 20 0 CAADRP CN(CC[NH+](C)C)C(=O)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659744275 409573512 /nfs/dbraw/zinc/57/35/12/409573512.db2.gz UDSQFQVYOGHKRJ-UHFFFAOYSA-N 2 0 268.361 -1.125 20 0 CAADRP O[C@@H]1COCCN(C/C=C/C[N@@H+]2CCOC[C@@H](O)C2)C1 ZINC000660668034 409578728 /nfs/dbraw/zinc/57/87/28/409578728.db2.gz BVHUNMXFYIXEMV-FAVCQXFFSA-N 2 0 286.372 -1.071 20 0 CAADRP CC(C)[N@H+](C)C[C@H](O)CN1C[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC000660722963 409578950 /nfs/dbraw/zinc/57/89/50/409578950.db2.gz QZOBLTYLHIROCF-GARJFASQSA-N 2 0 269.345 -1.108 20 0 CAADRP CN(CC(=O)N1CC[NH2+]CC1)C[C@H]1C[NH2+]CCO1 ZINC000662238412 409586606 /nfs/dbraw/zinc/58/66/06/409586606.db2.gz PLDDUAQLTXUSDK-LLVKDONJSA-N 2 0 256.350 -1.662 20 0 CAADRP CN(CC(=O)N1CC[NH2+]CC1)C[C@@H]1C[NH2+]CCO1 ZINC000662238417 409587214 /nfs/dbraw/zinc/58/72/14/409587214.db2.gz PLDDUAQLTXUSDK-NSHDSACASA-N 2 0 256.350 -1.662 20 0 CAADRP CN(CC(=O)N1CC[NH2+]CC1)C(=O)CC1([NH3+])CC1 ZINC000662402171 409593704 /nfs/dbraw/zinc/59/37/04/409593704.db2.gz YSIJVANUAOPNML-UHFFFAOYSA-N 2 0 254.334 -1.242 20 0 CAADRP [NH3+][C@@H]1CCC[C@@H]1C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000662401498 409595871 /nfs/dbraw/zinc/59/58/71/409595871.db2.gz ORZBTEOHIHAJSL-VHSXEESVSA-N 2 0 254.334 -1.338 20 0 CAADRP C[C@H]1C[NH+](CCCNC(=O)C2(O)C[NH2+]C2)C[C@H](C)O1 ZINC000662671140 409602182 /nfs/dbraw/zinc/60/21/82/409602182.db2.gz MISITBZOWBOKPB-QWRGUYRKSA-N 2 0 271.361 -1.064 20 0 CAADRP COCCN(CC[NH+](C)C)C(=O)c1cn(CC[NH3+])nn1 ZINC000662792941 409606185 /nfs/dbraw/zinc/60/61/85/409606185.db2.gz ZZLTZWIUCSPYKU-UHFFFAOYSA-N 2 0 284.364 -1.113 20 0 CAADRP C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)C2(O)C[NH2+]C2)CC1 ZINC000662792906 409606832 /nfs/dbraw/zinc/60/68/32/409606832.db2.gz YVHFTHFSNCBJET-ZDUSSCGKSA-N 2 0 296.415 -1.051 20 0 CAADRP O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)C1(O)C[NH2+]C1 ZINC000662775261 409606888 /nfs/dbraw/zinc/60/68/88/409606888.db2.gz WLLMCNWULLWXQD-MRVPVSSYSA-N 2 0 296.293 -1.727 20 0 CAADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)C2(O)C[NH2+]C2)CC1 ZINC000662757758 409607365 /nfs/dbraw/zinc/60/73/65/409607365.db2.gz MWHYQCWZXCRJCH-LBPRGKRZSA-N 2 0 284.404 -1.290 20 0 CAADRP CCN1CC[NH+](C[C@H](C)CNC(=O)C2(O)C[NH2+]C2)CC1 ZINC000662757757 409607573 /nfs/dbraw/zinc/60/75/73/409607573.db2.gz MWHYQCWZXCRJCH-GFCCVEGCSA-N 2 0 284.404 -1.290 20 0 CAADRP CC[NH+]1CCN([C@@H](C)CNC(=O)C2(O)C[NH2+]C2)CC1 ZINC000662758268 409607628 /nfs/dbraw/zinc/60/76/28/409607628.db2.gz PQWXJZKZLOFFSQ-NSHDSACASA-N 2 0 270.377 -1.537 20 0 CAADRP CC[NH+]1CCN(CCNC(=O)C2(O)C[NH2+]C2)CC1 ZINC000662759917 409607660 /nfs/dbraw/zinc/60/76/60/409607660.db2.gz ZSVVWILQKHZBAW-UHFFFAOYSA-N 2 0 256.350 -1.926 20 0 CAADRP O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)C1(O)C[NH2+]C1 ZINC000662775264 409608107 /nfs/dbraw/zinc/60/81/07/409608107.db2.gz WLLMCNWULLWXQD-QMMMGPOBSA-N 2 0 296.293 -1.727 20 0 CAADRP C[NH+](C)CCC[C@@H]1CN(C(=O)C2(O)C[NH2+]C2)CCO1 ZINC000662972033 409614898 /nfs/dbraw/zinc/61/48/98/409614898.db2.gz HHMUMPAUZQEDSU-LLVKDONJSA-N 2 0 271.361 -1.110 20 0 CAADRP C[NH2+]C[C@H](C)NC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000662966916 409615248 /nfs/dbraw/zinc/61/52/48/409615248.db2.gz VVESAAYKAFXQCM-UWVGGRQHSA-N 2 0 256.350 -1.031 20 0 CAADRP C[NH+](C)CCC[C@H]1CN(C(=O)C2(O)C[NH2+]C2)CCO1 ZINC000662972034 409615483 /nfs/dbraw/zinc/61/54/83/409615483.db2.gz HHMUMPAUZQEDSU-NSHDSACASA-N 2 0 271.361 -1.110 20 0 CAADRP C[NH+](C)CCn1ccc(NC(=O)CN2CC[NH2+]CC2)n1 ZINC000638088567 409644535 /nfs/dbraw/zinc/64/45/35/409644535.db2.gz IFPWTKHYSMLYCP-UHFFFAOYSA-N 2 0 280.376 -0.712 20 0 CAADRP C[C@@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001195702079 782013669 /nfs/dbraw/zinc/01/36/69/782013669.db2.gz XARGVPHWKAVPLM-IJLUTSLNSA-N 2 0 273.377 -1.130 20 0 CAADRP C[NH+](C)CCCC(=O)N[C@@H]1C[N@H+](CCO)C[C@H]1O ZINC001195709280 782015317 /nfs/dbraw/zinc/01/53/17/782015317.db2.gz ZKKPFRUMYQLNTM-GHMZBOCLSA-N 2 0 259.350 -1.518 20 0 CAADRP C[NH+](C)CCCC(=O)N[C@@H]1C[N@H+](CCCO)C[C@H]1O ZINC001195709009 782015519 /nfs/dbraw/zinc/01/55/19/782015519.db2.gz VRWLBBYRHKDLFE-VXGBXAGGSA-N 2 0 273.377 -1.128 20 0 CAADRP CN(C)C(=O)CC[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000038031614 174025917 /nfs/dbraw/zinc/02/59/17/174025917.db2.gz DIBYFAMVLBUNQN-UHFFFAOYSA-N 2 0 256.350 -1.172 20 0 CAADRP C[NH+](C)[C@]1(CNC(=O)CNC(=O)C[NH3+])CCSC1 ZINC000347606574 226198695 /nfs/dbraw/zinc/19/86/95/226198695.db2.gz ALHIDWYLHIBZML-NSHDSACASA-N 2 0 274.390 -1.385 20 0 CAADRP C[C@H](C[NH3+])NC(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000347704988 226240019 /nfs/dbraw/zinc/24/00/19/226240019.db2.gz WAYUQGLDLHXQCH-NXEZZACHSA-N 2 0 256.350 -1.140 20 0 CAADRP CN(CC[NH+](C)C)C(=O)C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000347963627 226389601 /nfs/dbraw/zinc/38/96/01/226389601.db2.gz JUHBXQUTULKQIT-GFCCVEGCSA-N 2 0 299.419 -1.632 20 0 CAADRP CN(CC[NH+](C)C)C(=O)C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000347963628 226389706 /nfs/dbraw/zinc/38/97/06/226389706.db2.gz JUHBXQUTULKQIT-LBPRGKRZSA-N 2 0 299.419 -1.632 20 0 CAADRP C[C@H](C[NH3+])C(=O)N[C@@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000262416612 230229410 /nfs/dbraw/zinc/22/94/10/230229410.db2.gz RFMMXGQBEUPUQF-VXGBXAGGSA-N 2 0 298.387 -1.370 20 0 CAADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)NCC[NH3+] ZINC000419819215 230256893 /nfs/dbraw/zinc/25/68/93/230256893.db2.gz PRYIKOZEORELKR-NSHDSACASA-N 2 0 286.376 -1.370 20 0 CAADRP COCCN(CC[NH+](C)C)C(=O)C(=O)N(C)CC[NH3+] ZINC000423263548 230268258 /nfs/dbraw/zinc/26/82/58/230268258.db2.gz OTBJRBMVABGZMB-UHFFFAOYSA-N 2 0 274.365 -1.560 20 0 CAADRP COCCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000423258531 230269495 /nfs/dbraw/zinc/26/94/95/230269495.db2.gz BSLZCPQPPGHOQW-LLVKDONJSA-N 2 0 286.376 -1.417 20 0 CAADRP COCC[N@@H+]1CC[C@H](NC(=O)COC2C[NH2+]C2)C1 ZINC000430714111 230307469 /nfs/dbraw/zinc/30/74/69/230307469.db2.gz MJXQZAPEQDSIQB-JTQLQIEISA-N 2 0 257.334 -1.188 20 0 CAADRP NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)COC1C[NH2+]C1 ZINC000430889795 230311047 /nfs/dbraw/zinc/31/10/47/230311047.db2.gz MPYSIZSFDWELIE-NSHDSACASA-N 2 0 284.360 -1.569 20 0 CAADRP O[C@@H]1C[NH+](CCCCC[NH+]2C[C@H](O)[C@@H](O)C2)C[C@H]1O ZINC000444710242 230336860 /nfs/dbraw/zinc/33/68/60/230336860.db2.gz USGZRCGDMMGZDG-KVVVAFMNSA-N 2 0 274.361 -1.769 20 0 CAADRP CC[C@@H](C(=O)N[C@@H]1C[N@H+](CCCO)C[C@H]1O)[NH+](C)C ZINC001196252227 782030684 /nfs/dbraw/zinc/03/06/84/782030684.db2.gz VSYYVWIZEYIKQQ-GRYCIOLGSA-N 2 0 273.377 -1.130 20 0 CAADRP [NH3+][C@@H]1C[C@@H]2CN(C(=O)[C@H]3CCC[NH2+]3)CCN2C1=O ZINC000518398784 260398480 /nfs/dbraw/zinc/39/84/80/260398480.db2.gz ZRWDJYNHOSXIOS-OPRDCNLKSA-N 2 0 252.318 -1.491 20 0 CAADRP C[NH+](C)CCN1C[C@H](C(=O)N2CC[NH2+]CC2)CC1=O ZINC000237161757 269086965 /nfs/dbraw/zinc/08/69/65/269086965.db2.gz PFENOYXXUIWBMX-LLVKDONJSA-N 2 0 268.361 -1.172 20 0 CAADRP CCNS(=O)(=O)[C@@H]1CC[N@H+](CCOCC[NH3+])C1 ZINC000517567244 269088618 /nfs/dbraw/zinc/08/86/18/269088618.db2.gz FHNODDNULJZYNG-SNVBAGLBSA-N 2 0 265.379 -1.025 20 0 CAADRP CC(C)(C[NH3+])C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000516980795 269088490 /nfs/dbraw/zinc/08/84/90/269088490.db2.gz CHZFLHBRLROHRD-IUCAKERBSA-N 2 0 254.334 -1.258 20 0 CAADRP CC(C)(C[NH3+])C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000516980794 269088573 /nfs/dbraw/zinc/08/85/73/269088573.db2.gz CHZFLHBRLROHRD-DTWKUNHWSA-N 2 0 254.334 -1.258 20 0 CAADRP CC(C)(C[NH3+])C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000516980797 269088727 /nfs/dbraw/zinc/08/87/27/269088727.db2.gz CHZFLHBRLROHRD-RKDXNWHRSA-N 2 0 254.334 -1.258 20 0 CAADRP C[C@@H]1C[N@@H+](C[C@H](O)CNC[C@@H](O)C[NH+](C)C)C[C@H](C)O1 ZINC000517741919 269088730 /nfs/dbraw/zinc/08/87/30/269088730.db2.gz IVTUDXCQHBEUNQ-XJFOESAGSA-N 2 0 289.420 -1.031 20 0 CAADRP CN1CCN(C(=O)CCN2C(=O)CCC2=O)[C@H](C[NH3+])C1 ZINC000517564943 269088748 /nfs/dbraw/zinc/08/87/48/269088748.db2.gz PBZNRIOAUMLYOY-SNVBAGLBSA-N 2 0 282.344 -1.373 20 0 CAADRP CC(C)NC(=O)CN(C)CC(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000517235240 269088843 /nfs/dbraw/zinc/08/88/43/269088843.db2.gz JMRLHRMOXLAUSK-LBPRGKRZSA-N 2 0 299.419 -1.537 20 0 CAADRP [NH3+]CC(=O)NCC(=O)NCCNc1cc[nH+]cc1 ZINC000521620257 269089471 /nfs/dbraw/zinc/08/94/71/269089471.db2.gz FOJXMHSKMZKKMJ-UHFFFAOYSA-N 2 0 251.290 -1.894 20 0 CAADRP CO[C@@H](C[NH3+])CC(=O)Nc1nc(N2CC[NH2+]CC2)n[nH]1 ZINC000519820912 269089735 /nfs/dbraw/zinc/08/97/35/269089735.db2.gz CPMHRJPEBYOBIZ-MRVPVSSYSA-N 2 0 283.336 -1.483 20 0 CAADRP [NH3+][C@@H]1C[C@@H]2CN(CC(=O)NC(=O)NC3CC3)CCN2C1=O ZINC000522015658 269089968 /nfs/dbraw/zinc/08/99/68/269089968.db2.gz YVBFLSPOTVXOJM-NXEZZACHSA-N 2 0 295.343 -1.782 20 0 CAADRP [NH3+][C@H]1C[C@@H]2CN(CC(=O)NC(=O)NC3CC3)CCN2C1=O ZINC000522015661 269090096 /nfs/dbraw/zinc/09/00/96/269090096.db2.gz YVBFLSPOTVXOJM-ZJUUUORDSA-N 2 0 295.343 -1.782 20 0 CAADRP CCN1C[C@@H](C(=O)N2CCN(C)C[C@H]2C[NH3+])CC1=O ZINC000522001312 269090146 /nfs/dbraw/zinc/09/01/46/269090146.db2.gz PKYSRISQMMVKGF-WDEREUQCSA-N 2 0 268.361 -1.044 20 0 CAADRP C[N@@H+]1CC[C@H](C(=O)NCC(=O)NCCN2CCOCC2)C1 ZINC000522137991 269090270 /nfs/dbraw/zinc/09/02/70/269090270.db2.gz WFJVJMDZVBOIFQ-LBPRGKRZSA-N 2 0 298.387 -1.497 20 0 CAADRP O=C(NC[C@H]1COCC[NH2+]1)NC[C@H]1C[NH2+]CCO1 ZINC000529344189 269092279 /nfs/dbraw/zinc/09/22/79/269092279.db2.gz QZUUWYJGVVVZFH-VHSXEESVSA-N 2 0 258.322 -1.738 20 0 CAADRP O=C(NC[C@@H]1COCC[NH2+]1)NC[C@@H]1C[NH2+]CCO1 ZINC000529344190 269092308 /nfs/dbraw/zinc/09/23/08/269092308.db2.gz QZUUWYJGVVVZFH-ZJUUUORDSA-N 2 0 258.322 -1.738 20 0 CAADRP O=C(NC[C@@H]1COCC[NH2+]1)NC[C@H]1C[NH2+]CCO1 ZINC000529344187 269092464 /nfs/dbraw/zinc/09/24/64/269092464.db2.gz QZUUWYJGVVVZFH-NXEZZACHSA-N 2 0 258.322 -1.738 20 0 CAADRP CN1CC[NH2+]C[C@H]1CNC(=O)NC[C@@H]1COCC[NH2+]1 ZINC000529342179 269092581 /nfs/dbraw/zinc/09/25/81/269092581.db2.gz LHGPEBYXVZSBJK-MNOVXSKESA-N 2 0 271.365 -1.822 20 0 CAADRP C[C@H](C[NH3+])NC(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000529334284 269092767 /nfs/dbraw/zinc/09/27/67/269092767.db2.gz KNINXFJUJYPNKQ-LLVKDONJSA-N 2 0 298.391 -1.314 20 0 CAADRP C[C@H]([NH3+])CNC(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000529338619 269092867 /nfs/dbraw/zinc/09/28/67/269092867.db2.gz MVUFROFKTIBQMK-NSHDSACASA-N 2 0 298.391 -1.314 20 0 CAADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)NC[C@H]2COCC[NH2+]2)CCO1 ZINC000529390481 269093156 /nfs/dbraw/zinc/09/31/56/269093156.db2.gz USILTHIUBVNNCQ-DCAQKATOSA-N 2 0 272.349 -1.268 20 0 CAADRP O=C(NC[C@H]1COCC[NH2+]1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000529387774 269093255 /nfs/dbraw/zinc/09/32/55/269093255.db2.gz MEGHRKZJZKPZCF-VWYCJHECSA-N 2 0 254.334 -1.022 20 0 CAADRP O=C(NC[C@@H]1COCC[NH2+]1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000529385021 269093280 /nfs/dbraw/zinc/09/32/80/269093280.db2.gz FXCLWHVDSGIIFJ-OUAUKWLOSA-N 2 0 254.334 -1.164 20 0 CAADRP O=C(NC[C@H]1COCC[NH2+]1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000529385009 269093558 /nfs/dbraw/zinc/09/35/58/269093558.db2.gz FXCLWHVDSGIIFJ-AXFHLTTASA-N 2 0 254.334 -1.164 20 0 CAADRP C[C@H]([NH3+])[C@H]1CN(C(=O)NC[C@@H]2COCC[NH2+]2)CCO1 ZINC000529390483 269093717 /nfs/dbraw/zinc/09/37/17/269093717.db2.gz USILTHIUBVNNCQ-HBNTYKKESA-N 2 0 272.349 -1.268 20 0 CAADRP C[NH2+]C[C@](C)(O)CN1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000530222387 269094804 /nfs/dbraw/zinc/09/48/04/269094804.db2.gz JZORRDUVHDKFGN-AWEZNQCLSA-N 2 0 299.419 -1.400 20 0 CAADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)CN1CC(=O)NC1=O ZINC000530641185 269094881 /nfs/dbraw/zinc/09/48/81/269094881.db2.gz GMGIURJDPYFDIM-UHFFFAOYSA-N 2 0 299.375 -1.510 20 0 CAADRP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](C[C@H](C)O)C[C@H]1O ZINC001197057558 782047250 /nfs/dbraw/zinc/04/72/50/782047250.db2.gz DPZFKDSBXXYSMO-QJPTWQEYSA-N 2 0 273.377 -1.130 20 0 CAADRP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](CCO)C[C@H]1O ZINC001197048949 782045885 /nfs/dbraw/zinc/04/58/85/782045885.db2.gz IVAJCFIBIDTVOF-GHMZBOCLSA-N 2 0 259.350 -1.518 20 0 CAADRP COCCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H](C)CC[NH3+] ZINC000420000651 277216138 /nfs/dbraw/zinc/21/61/38/277216138.db2.gz UHEYTBITFRVUKV-NSHDSACASA-N 2 0 288.392 -1.124 20 0 CAADRP C[C@@H]1C[N@H+](CCC(=O)N2CC[NH2+]CC2)C[C@H](C(N)=O)O1 ZINC000262036760 288155098 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O=C(CNC(=O)[C@@H]1CCC[NH2+]1)NCCN1CC[NH2+]CC1 ZINC000575309690 335091956 /nfs/dbraw/zinc/09/19/56/335091956.db2.gz SOZUOAWXTWSUBT-NSHDSACASA-N 2 0 283.376 -2.124 20 0 CAADRP [NH3+]CCC(=O)NC[C@H]1CCCCN1C(=O)[C@H]1C[NH2+]CCO1 ZINC000262763101 303373483 /nfs/dbraw/zinc/37/34/83/303373483.db2.gz IVRWJLUVOYLUPG-VXGBXAGGSA-N 2 0 298.387 -1.179 20 0 CAADRP [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)[C@@H]2C[C@@H]2[NH3+])C1 ZINC000424064509 303383008 /nfs/dbraw/zinc/38/30/08/303383008.db2.gz ZSHDNUSWARDMNL-AEJSXWLSSA-N 2 0 254.334 -1.353 20 0 CAADRP C[C@H](C[NH3+])CNC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000570818128 327621339 /nfs/dbraw/zinc/62/13/39/327621339.db2.gz LRZXHZXBLZTCOB-OPRDCNLKSA-N 2 0 269.349 -1.465 20 0 CAADRP [NH3+]C[C@@H]1CN(C(=O)CCOC2C[NH2+]C2)CCCO1 ZINC000570842150 327624662 /nfs/dbraw/zinc/62/46/62/327624662.db2.gz SCJGTRWWEHCELU-SNVBAGLBSA-N 2 0 257.334 -1.059 20 0 CAADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000570841591 327625760 /nfs/dbraw/zinc/62/57/60/327625760.db2.gz IJPWBVCYHXQVQR-VWYCJHECSA-N 2 0 268.361 -1.031 20 0 CAADRP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@H+](C[C@@H](C)O)C[C@H]1O ZINC001199111785 782074965 /nfs/dbraw/zinc/07/49/65/782074965.db2.gz MACLMMFWXSUYTQ-IJLUTSLNSA-N 2 0 273.377 -1.131 20 0 CAADRP C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000580054940 327684771 /nfs/dbraw/zinc/68/47/71/327684771.db2.gz PLDGQZIPLKPMRD-NWDGAFQWSA-N 2 0 299.419 -1.456 20 0 CAADRP COC[C@]1(C(=O)N2CCO[C@@H](C[NH3+])C2)CC[NH2+]C1 ZINC000580192776 327727796 /nfs/dbraw/zinc/72/77/96/327727796.db2.gz GRKLEQBXPKNBNX-JQWIXIFHSA-N 2 0 257.334 -1.201 20 0 CAADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000580192976 327728081 /nfs/dbraw/zinc/72/80/81/327728081.db2.gz WMWFMOWYPVDKQE-UMNHJUIQSA-N 2 0 268.361 -1.236 20 0 CAADRP C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)NC2C[NH2+]C2)C1 ZINC000582350605 328967649 /nfs/dbraw/zinc/96/76/49/328967649.db2.gz BVNMDFKYRDHSCZ-SNVBAGLBSA-N 2 0 254.334 -1.373 20 0 CAADRP [NH3+]C[C@@H](NC(=O)CNC(=O)[C@H]1CCC[NH2+]1)C1CC1 ZINC000563102306 327924544 /nfs/dbraw/zinc/92/45/44/327924544.db2.gz SGYXGYFAPJTMJS-NXEZZACHSA-N 2 0 254.334 -1.292 20 0 CAADRP [NH3+][C@@H]1C[C@@H]2CN(C(=O)NCC3CC[NH2+]CC3)CCN2C1=O ZINC000563451759 328066231 /nfs/dbraw/zinc/06/62/31/328066231.db2.gz NMMRHBYMJZSJNK-VXGBXAGGSA-N 2 0 295.387 -1.061 20 0 CAADRP CC(C)[C@H]([NH3+])CNC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000563452135 328066435 /nfs/dbraw/zinc/06/64/35/328066435.db2.gz SESZPFYZXXWDIO-GARJFASQSA-N 2 0 283.376 -1.077 20 0 CAADRP CC(C)[C@H]([NH3+])CNC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000563452138 328066518 /nfs/dbraw/zinc/06/65/18/328066518.db2.gz SESZPFYZXXWDIO-OUAUKWLOSA-N 2 0 283.376 -1.077 20 0 CAADRP CC(C)[C@H]([NH3+])CNC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000563452137 328066669 /nfs/dbraw/zinc/06/66/69/328066669.db2.gz SESZPFYZXXWDIO-HBNTYKKESA-N 2 0 283.376 -1.077 20 0 CAADRP C[NH2+]CCCNC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000563452524 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ZINC000569487690 327185642 /nfs/dbraw/zinc/18/56/42/327185642.db2.gz RQKWIKFYHHFVPH-RYUDHWBXSA-N 2 0 269.345 -1.094 20 0 CAADRP COC[C@]1(CNC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)CCC[NH2+]1 ZINC000564948619 327252308 /nfs/dbraw/zinc/25/23/08/327252308.db2.gz JDJDKPFFFRCXRI-SMDDNHRTSA-N 2 0 298.387 -1.261 20 0 CAADRP CN1CC[NH2+]C[C@@H]1CNC(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000574082446 327288393 /nfs/dbraw/zinc/28/83/93/327288393.db2.gz UMEJBPSKEGAKGV-MNOVXSKESA-N 2 0 283.376 -2.126 20 0 CAADRP CN1CC[NH2+]C[C@H]1CNC(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000574082448 327288407 /nfs/dbraw/zinc/28/84/07/327288407.db2.gz UMEJBPSKEGAKGV-WDEREUQCSA-N 2 0 283.376 -2.126 20 0 CAADRP [NH3+][C@@H]1C[C@H]2CN(C(=O)C[C@@H]3CSCC[NH2+]3)CCN2C1=O ZINC000566495877 327399409 /nfs/dbraw/zinc/39/94/09/327399409.db2.gz LNNYDEDSUYKFCI-OUAUKWLOSA-N 2 0 298.412 -1.148 20 0 CAADRP C[C@]1(C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)CC[NH2+]C1 ZINC000566573046 327413583 /nfs/dbraw/zinc/41/35/83/327413583.db2.gz VYMXBXYCCPGPCY-NRUUGDAUSA-N 2 0 266.345 -1.244 20 0 CAADRP O=C(C[NH2+]C[C@@H]1CCCO1)NCC(=O)N1CC[NH2+]CC1 ZINC000569802844 327548341 /nfs/dbraw/zinc/54/83/41/327548341.db2.gz NELGVNDSRPNENR-NSHDSACASA-N 2 0 284.360 -1.697 20 0 CAADRP [NH3+][C@@H](CNC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1)C1CC1 ZINC000569989682 327560652 /nfs/dbraw/zinc/56/06/52/327560652.db2.gz PAVYSLZKDKQMEN-AXFHLTTASA-N 2 0 281.360 -1.323 20 0 CAADRP [NH3+][C@H](CNC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1)C1CC1 ZINC000569989683 327560770 /nfs/dbraw/zinc/56/07/70/327560770.db2.gz PAVYSLZKDKQMEN-GMTAPVOTSA-N 2 0 281.360 -1.323 20 0 CAADRP C[NH2+]C[C@H](C)C(=O)N(C)CC(=O)N1CC[NH2+]CC1 ZINC000582357541 328969539 /nfs/dbraw/zinc/96/95/39/328969539.db2.gz ZTONFSIQBPZCER-JTQLQIEISA-N 2 0 256.350 -1.268 20 0 CAADRP CC(C)(C(N)=O)N1CCN(C(=O)N[C@H]2CC[NH2+]C2)CC1 ZINC000583705289 329086496 /nfs/dbraw/zinc/08/64/96/329086496.db2.gz RKMZOYWYCDLLOM-JTQLQIEISA-N 2 0 283.376 -1.061 20 0 CAADRP [NH3+][C@H]1C[C@H]2CN(C(=O)N[C@H]3CCC[NH2+]C3)CCN2C1=O ZINC000582617470 329118441 /nfs/dbraw/zinc/11/84/41/329118441.db2.gz PNYCJXONHWPSIF-DCAQKATOSA-N 2 0 281.360 -1.308 20 0 CAADRP [NH3+][C@H]1C[C@@H]2CN(C(=O)N[C@H]3CCC[NH2+]C3)CCN2C1=O ZINC000582617466 329118467 /nfs/dbraw/zinc/11/84/67/329118467.db2.gz PNYCJXONHWPSIF-AXFHLTTASA-N 2 0 281.360 -1.308 20 0 CAADRP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C(=O)NC1C[NH2+]C1 ZINC000582715721 329129591 /nfs/dbraw/zinc/12/95/91/329129591.db2.gz SJRNXVOTBHXVBS-SNVBAGLBSA-N 2 0 268.361 -1.125 20 0 CAADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CC[NH2+]CC1 ZINC000583806433 329479798 /nfs/dbraw/zinc/47/97/98/329479798.db2.gz FIOFLMQHVXRECS-UHFFFAOYSA-N 3 0 299.419 -1.630 20 0 CAADRP C[C@@H]([NH3+])C[C@H](C)NC(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000583811047 329480705 /nfs/dbraw/zinc/48/07/05/329480705.db2.gz XJSPAYSHLAOLAN-ZJUUUORDSA-N 2 0 271.365 -1.157 20 0 CAADRP CC[NH2+]CCNC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000580429438 330134093 /nfs/dbraw/zinc/13/40/93/330134093.db2.gz GENFXMCYWPWGRE-JTQLQIEISA-N 2 0 256.350 -1.030 20 0 CAADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000516939449 333087072 /nfs/dbraw/zinc/08/70/72/333087072.db2.gz ZHGVBKQMCGVVAY-RYUDHWBXSA-N 2 0 298.387 -1.309 20 0 CAADRP CC(C)N(CC[NH+](C)C)C(=O)C(=O)NC1C[NH2+]C1 ZINC000575902657 335129632 /nfs/dbraw/zinc/12/96/32/335129632.db2.gz JLSJSPOSMRUKRC-UHFFFAOYSA-N 2 0 256.350 -1.127 20 0 CAADRP C[NH+](C)CCOCCNC(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000564208992 333612900 /nfs/dbraw/zinc/61/29/00/333612900.db2.gz FMIDSQOVWWBJSA-LLVKDONJSA-N 2 0 286.376 -1.451 20 0 CAADRP [NH3+]CC(=O)NCC(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000576157801 335161889 /nfs/dbraw/zinc/16/18/89/335161889.db2.gz QSFTYZHKRZXMJB-JTQLQIEISA-N 2 0 250.302 -1.123 20 0 CAADRP C[C@@H](C[NH+](C)C)NC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000576174004 335165285 /nfs/dbraw/zinc/16/52/85/335165285.db2.gz PBUKCBPYVCCUDX-HBNTYKKESA-N 2 0 283.376 -1.110 20 0 CAADRP C[C@@H](C[NH+](C)C)NC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000576174003 335165452 /nfs/dbraw/zinc/16/54/52/335165452.db2.gz PBUKCBPYVCCUDX-GARJFASQSA-N 2 0 283.376 -1.110 20 0 CAADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NC1C[NH2+]C1 ZINC000564310518 334051776 /nfs/dbraw/zinc/05/17/76/334051776.db2.gz CEUXPMHPGATPQZ-SNVBAGLBSA-N 2 0 254.334 -1.325 20 0 CAADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NC1C[NH2+]C1 ZINC000576256049 335178679 /nfs/dbraw/zinc/17/86/79/335178679.db2.gz GVCNBXKFAMFPBC-UHFFFAOYSA-N 3 0 285.392 -1.974 20 0 CAADRP C[C@@H]([NH3+])C[C@@H](C)NC(=O)C(=O)NCCOCC[NH+](C)C ZINC000564656194 334515237 /nfs/dbraw/zinc/51/52/37/334515237.db2.gz JELKSEWNKIYZJC-GHMZBOCLSA-N 2 0 288.392 -1.077 20 0 CAADRP C[C@H]([NH3+])[C@H](C)C(=O)N(C)CC(=O)N1CC[NH2+]CC1 ZINC000564894711 334526666 /nfs/dbraw/zinc/52/66/66/334526666.db2.gz RGRMBINDHZIKAZ-UWVGGRQHSA-N 2 0 256.350 -1.140 20 0 CAADRP C[C@@H](C(=O)N(C)CC(=O)N1CC[NH2+]CC1)[C@H](C)[NH3+] ZINC000564894713 334526730 /nfs/dbraw/zinc/52/67/30/334526730.db2.gz RGRMBINDHZIKAZ-ZJUUUORDSA-N 2 0 256.350 -1.140 20 0 CAADRP CN(C(=O)CNC(=O)[C@H]1CCC[NH2+]1)[C@H]1CC[NH2+]C1 ZINC000564944570 334529625 /nfs/dbraw/zinc/52/96/25/334529625.db2.gz ULHRQUOKJVTEAB-VHSXEESVSA-N 2 0 254.334 -1.325 20 0 CAADRP CN(C(=O)CNC(=O)[C@@H]1CCC[NH2+]1)[C@H]1CC[NH2+]C1 ZINC000564944569 334529637 /nfs/dbraw/zinc/52/96/37/334529637.db2.gz ULHRQUOKJVTEAB-UWVGGRQHSA-N 2 0 254.334 -1.325 20 0 CAADRP O=C(CC[C@H]1CC[NH2+]C1)NCC(=O)N1CC[NH2+]CC1 ZINC000564947917 334529831 /nfs/dbraw/zinc/52/98/31/334529831.db2.gz LOUAUXUGVAPCAI-NSHDSACASA-N 2 0 268.361 -1.076 20 0 CAADRP O=C(CC[C@@H]1CC[NH2+]C1)NCC(=O)N1CC[NH2+]CC1 ZINC000564947916 334529845 /nfs/dbraw/zinc/52/98/45/334529845.db2.gz LOUAUXUGVAPCAI-LLVKDONJSA-N 2 0 268.361 -1.076 20 0 CAADRP COC[C@@]1(CNC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)CCC[NH2+]1 ZINC000564948616 334529850 /nfs/dbraw/zinc/52/98/50/334529850.db2.gz JDJDKPFFFRCXRI-FZMZJTMJSA-N 2 0 298.387 -1.261 20 0 CAADRP [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)COC2C[NH2+]C2)C1 ZINC000564947318 334529902 /nfs/dbraw/zinc/52/99/02/334529902.db2.gz JXVICPIDWBOSLJ-JTQLQIEISA-N 2 0 284.360 -1.712 20 0 CAADRP [NH3+][C@H]1C[C@@H]2CN(C(=O)NC3C[NH2+]C3)CCN2C1=O ZINC000565251030 334548091 /nfs/dbraw/zinc/54/80/91/334548091.db2.gz SQDUBFGFLIRHPV-BDAKNGLRSA-N 2 0 253.306 -2.088 20 0 CAADRP [NH3+][C@H]1C[C@H]2CN(C(=O)NC3C[NH2+]C3)CCN2C1=O ZINC000565251044 334548116 /nfs/dbraw/zinc/54/81/16/334548116.db2.gz SQDUBFGFLIRHPV-IUCAKERBSA-N 2 0 253.306 -2.088 20 0 CAADRP C[C@H](CC[NH+](C)C)NC(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000565253140 334548218 /nfs/dbraw/zinc/54/82/18/334548218.db2.gz HKSAYTQQDRCOIO-ZJUUUORDSA-N 2 0 256.350 -1.079 20 0 CAADRP COC[C@H]([NH3+])C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000565891005 334606170 /nfs/dbraw/zinc/60/61/70/334606170.db2.gz DRCHHWTZTZJWLK-DTWKUNHWSA-N 2 0 298.309 -1.088 20 0 CAADRP CN(CC(=O)N1CC[NH2+]CC1)C(=O)[C@H]1C[C@]12CC[NH2+]C2 ZINC000566151341 334628727 /nfs/dbraw/zinc/62/87/27/334628727.db2.gz YULMDVMBBPEOSB-RISCZKNCSA-N 2 0 280.372 -1.124 20 0 CAADRP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)NC[C@@H]1CCC[NH2+]1 ZINC000566203933 334635423 /nfs/dbraw/zinc/63/54/23/334635423.db2.gz YQAXVJXYVSCHHN-UWVGGRQHSA-N 2 0 254.334 -1.277 20 0 CAADRP CCC[C@H](O)[C@H](CO)[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC000566230695 334637097 /nfs/dbraw/zinc/63/70/97/334637097.db2.gz BEXAHGNEIUGFJC-IHRRRGAJSA-N 2 0 289.420 -1.294 20 0 CAADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)NC[C@H]1CCC[NH2+]1 ZINC000566237469 334637755 /nfs/dbraw/zinc/63/77/55/334637755.db2.gz VULLOXVUDGGDEZ-KOLCDFICSA-N 2 0 256.350 -1.046 20 0 CAADRP C[C@@H]1C[C@@H](C)N(C(=O)CNC(=O)C[NH3+])C[C@@H]1C[NH3+] ZINC000566680152 334660060 /nfs/dbraw/zinc/66/00/60/334660060.db2.gz PGQFBLPDZMUDAJ-BBBLOLIVSA-N 2 0 256.350 -1.107 20 0 CAADRP C[C@@H]1C[C@@H](C)N(C(=O)CNC(=O)C[NH3+])C[C@H]1C[NH3+] ZINC000566680154 334660113 /nfs/dbraw/zinc/66/01/13/334660113.db2.gz PGQFBLPDZMUDAJ-OPRDCNLKSA-N 2 0 256.350 -1.107 20 0 CAADRP COC[C@@]1(C(=O)NC[C@H]2C[NH2+]CCO2)CC[NH2+]C1 ZINC000566909885 334668950 /nfs/dbraw/zinc/66/89/50/334668950.db2.gz QDWKPMHFLADAEC-ZYHUDNBSSA-N 2 0 257.334 -1.283 20 0 CAADRP COC[C@@]1(C(=O)NC[C@@H]2C[NH2+]CCO2)CC[NH2+]C1 ZINC000566909882 334669016 /nfs/dbraw/zinc/66/90/16/334669016.db2.gz QDWKPMHFLADAEC-CMPLNLGQSA-N 2 0 257.334 -1.283 20 0 CAADRP C[NH2+][C@H]1CCN(C(=O)CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000567383569 334711167 /nfs/dbraw/zinc/71/11/67/334711167.db2.gz JPSXKLPNSJAPQH-UWVGGRQHSA-N 2 0 254.334 -1.325 20 0 CAADRP CO[C@@H](C[NH3+])C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000567581040 334736680 /nfs/dbraw/zinc/73/66/80/334736680.db2.gz OAVIHOQGILZSNI-IUCAKERBSA-N 2 0 298.309 -1.088 20 0 CAADRP CC(C)[NH2+]CC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000568267403 334810857 /nfs/dbraw/zinc/81/08/57/334810857.db2.gz FZBRBYDIWNLFIW-NXEZZACHSA-N 2 0 254.334 -1.245 20 0 CAADRP O=C(C[NH2+]C1CC1)Nc1nc(N2CC[NH2+]CC2)n[nH]1 ZINC000568391425 334822198 /nfs/dbraw/zinc/82/21/98/334822198.db2.gz ZIVLUPJMTZNOCE-UHFFFAOYSA-N 2 0 265.321 -1.095 20 0 CAADRP C[C@]1(C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)CCC[NH2+]1 ZINC000576598480 335224943 /nfs/dbraw/zinc/22/49/43/335224943.db2.gz NVQMTIJDNLTKMW-OPQQBVKSSA-N 2 0 266.345 -1.101 20 0 CAADRP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000576599675 335225241 /nfs/dbraw/zinc/22/52/41/335225241.db2.gz LGDWDFSAZAEPQH-WYUUTHIRSA-N 2 0 295.387 -1.062 20 0 CAADRP O=C(C[C@H]1C[NH2+]CCO1)Nc1nc(N2CC[NH2+]CC2)n[nH]1 ZINC000576753484 335243475 /nfs/dbraw/zinc/24/34/75/335243475.db2.gz JBHPTMNVIKVMTQ-VIFPVBQESA-N 2 0 295.347 -1.469 20 0 CAADRP C[NH2+]CCCNC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000580643624 335310117 /nfs/dbraw/zinc/31/01/17/335310117.db2.gz BPMVYMLHRNENJG-JTQLQIEISA-N 2 0 256.350 -1.030 20 0 CAADRP C[NH2+]CCCNC(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000580643625 335310344 /nfs/dbraw/zinc/31/03/44/335310344.db2.gz BPMVYMLHRNENJG-SNVBAGLBSA-N 2 0 256.350 -1.030 20 0 CAADRP CN(CC(=O)N1CC[NH2+]CC1)C(=O)[C@]1(C)CC[NH2+]C1 ZINC000577174147 335315751 /nfs/dbraw/zinc/31/57/51/335315751.db2.gz NBSBGCVKCMRGCC-CYBMUJFWSA-N 2 0 268.361 -1.124 20 0 CAADRP O=C(CCOC1C[NH2+]C1)NCCCN1CC[NH2+]CC1 ZINC000577175585 335315936 /nfs/dbraw/zinc/31/59/36/335315936.db2.gz CWTJEAZPLSHXDZ-UHFFFAOYSA-N 2 0 270.377 -1.224 20 0 CAADRP O=C(NCCCC[NH+]1CCOCC1)C(=O)N[C@H]1CC[NH2+]C1 ZINC000577232629 335327735 /nfs/dbraw/zinc/32/77/35/335327735.db2.gz MXNGJVCGRPXCMT-LBPRGKRZSA-N 2 0 298.387 -1.307 20 0 CAADRP CC(C)[C@H]([NH3+])C(=O)N(C)CC(=O)N1CC[NH2+]CC1 ZINC000577503936 335361015 /nfs/dbraw/zinc/36/10/15/335361015.db2.gz NYVXKEQYXCZVPK-NSHDSACASA-N 2 0 256.350 -1.140 20 0 CAADRP CNC(=O)C[N@@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000577611653 335377946 /nfs/dbraw/zinc/37/79/46/335377946.db2.gz ZLHLKDWSGMMDRX-NSHDSACASA-N 2 0 268.361 -1.124 20 0 CAADRP CNC(=O)C[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000577611652 335378059 /nfs/dbraw/zinc/37/80/59/335378059.db2.gz ZLHLKDWSGMMDRX-LLVKDONJSA-N 2 0 268.361 -1.124 20 0 CAADRP CN(CCC[NH+](C)C)C(=O)C(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000577740327 335394951 /nfs/dbraw/zinc/39/49/51/335394951.db2.gz VDMIYCIJQFLUAX-LBPRGKRZSA-N 2 0 299.419 -1.502 20 0 CAADRP CC[C@H]1[NH2+]CC[C@@H]1C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000578131125 335511280 /nfs/dbraw/zinc/51/12/80/335511280.db2.gz DKSVPSIKRLUNLZ-WDEREUQCSA-N 2 0 268.361 -1.078 20 0 CAADRP CC[C@H]1[NH2+]CC[C@H]1C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000578131122 335511289 /nfs/dbraw/zinc/51/12/89/335511289.db2.gz DKSVPSIKRLUNLZ-GHMZBOCLSA-N 2 0 268.361 -1.078 20 0 CAADRP CCC[C@H]([NH3+])C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000578767427 335672619 /nfs/dbraw/zinc/67/26/19/335672619.db2.gz UTLANZFJJZXLDR-GUBZILKMSA-N 2 0 254.334 -1.116 20 0 CAADRP CCC[C@H]([NH3+])C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000578767430 335672828 /nfs/dbraw/zinc/67/28/28/335672828.db2.gz UTLANZFJJZXLDR-UTLUCORTSA-N 2 0 254.334 -1.116 20 0 CAADRP O=C(C[C@H]1COCC[NH2+]1)NCCN1CC[NH2+]CC1 ZINC000579229053 335723774 /nfs/dbraw/zinc/72/37/74/335723774.db2.gz YKIFVQUNVFKSNK-NSHDSACASA-N 2 0 256.350 -1.614 20 0 CAADRP O=C(C[C@@H]1COCC[NH2+]1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000579470572 335766232 /nfs/dbraw/zinc/76/62/32/335766232.db2.gz LVMYIICUSSJFAH-OLZOCXBDSA-N 2 0 282.388 -1.129 20 0 CAADRP C[NH+]1CCN(C[C@@H](O)C[NH2+][C@@H]2CC(=O)N(C3CC3)C2)CC1 ZINC000579827397 335899611 /nfs/dbraw/zinc/89/96/11/335899611.db2.gz NBSFIRALCMJAHP-OCCSQVGLSA-N 2 0 296.415 -1.052 20 0 CAADRP [NH3+][C@H]1C[C@H]2CN(C(=O)N[C@@H]3CCC[NH2+]C3)CCN2C1=O ZINC000581381623 336066019 /nfs/dbraw/zinc/06/60/19/336066019.db2.gz PNYCJXONHWPSIF-VWYCJHECSA-N 2 0 281.360 -1.308 20 0 CAADRP [NH3+][C@@H]1C[C@H]2CN(C(=O)N[C@@H]3CCC[NH2+]C3)CCN2C1=O ZINC000581381622 336066171 /nfs/dbraw/zinc/06/61/71/336066171.db2.gz PNYCJXONHWPSIF-OUAUKWLOSA-N 2 0 281.360 -1.308 20 0 CAADRP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000581428384 336075736 /nfs/dbraw/zinc/07/57/36/336075736.db2.gz CQTMUTUYJDLSSZ-AXFHLTTASA-N 2 0 266.345 -1.468 20 0 CAADRP O=C(C[C@@H]1C[NH2+]CCO1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000581605879 336111002 /nfs/dbraw/zinc/11/10/02/336111002.db2.gz FAZHEPDREVDASZ-QWHCGFSZSA-N 2 0 282.388 -1.129 20 0 CAADRP O=C(C[C@H]1C[NH2+]CCO1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000581605880 336111100 /nfs/dbraw/zinc/11/11/00/336111100.db2.gz FAZHEPDREVDASZ-STQMWFEESA-N 2 0 282.388 -1.129 20 0 CAADRP CN(CCC[NH3+])C(=O)C(=O)NCCOCC[NH+](C)C ZINC000581678250 336127683 /nfs/dbraw/zinc/12/76/83/336127683.db2.gz GRUOFLORODZBFJ-UHFFFAOYSA-N 2 0 274.365 -1.512 20 0 CAADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@H](C[NH3+])C1CC1 ZINC000581727222 336138629 /nfs/dbraw/zinc/13/86/29/336138629.db2.gz RTSIMONDTMPGHX-KOLCDFICSA-N 2 0 256.350 -1.061 20 0 CAADRP [NH3+]CC(=O)NCC(=O)Nc1ccc(N2CC[NH2+]CC2)cn1 ZINC000581823274 336147488 /nfs/dbraw/zinc/14/74/88/336147488.db2.gz WMWBGZJZXVERDP-UHFFFAOYSA-N 2 0 292.343 -1.495 20 0 CAADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)NC[C@@H]([NH3+])C1CC1 ZINC000581825182 336147865 /nfs/dbraw/zinc/14/78/65/336147865.db2.gz GCOPOLZBGHDIGG-KOLCDFICSA-N 2 0 256.350 -1.061 20 0 CAADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)NC[C@H]([NH3+])C1CC1 ZINC000581825183 336147974 /nfs/dbraw/zinc/14/79/74/336147974.db2.gz GCOPOLZBGHDIGG-ONGXEEELSA-N 2 0 256.350 -1.061 20 0 CAADRP CC(C)[C@@H]([NH3+])C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000581895859 336162368 /nfs/dbraw/zinc/16/23/68/336162368.db2.gz RIOYHDZNIDMRTB-LPEHRKFASA-N 2 0 254.334 -1.260 20 0 CAADRP CC(C)[C@@H]([NH3+])C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000581895860 336162508 /nfs/dbraw/zinc/16/25/08/336162508.db2.gz RIOYHDZNIDMRTB-OPRDCNLKSA-N 2 0 254.334 -1.260 20 0 CAADRP [NH3+][C@@H](C(=O)NCC(=O)N1CC[NH2+]CC1)C1CCC1 ZINC000581942769 336173586 /nfs/dbraw/zinc/17/35/86/336173586.db2.gz SPODUJWOHPGQCB-LLVKDONJSA-N 2 0 254.334 -1.338 20 0 CAADRP NC(=O)C[NH2+]C[C@H]1CN(C(=O)Cc2cnc[nH]2)CCCO1 ZINC001201483694 782105329 /nfs/dbraw/zinc/10/53/29/782105329.db2.gz NUNZJIVAQAVDLT-NSHDSACASA-N 2 0 295.343 -1.355 20 0 CAADRP C[N@@H+]1CC[C@@H](C(=O)N2CCCO[C@@H](C[NH2+]CC(N)=O)C2)C1 ZINC001202057169 782109821 /nfs/dbraw/zinc/10/98/21/782109821.db2.gz DOQGQLBZYDQGAY-NEPJUHHUSA-N 2 0 298.387 -1.370 20 0 CAADRP NC(=O)C[NH2+]C[C@H]1CN(C(=O)C[NH+]2CCCC2)CCCO1 ZINC001202050215 782110628 /nfs/dbraw/zinc/11/06/28/782110628.db2.gz UGSWWDPDUYZHHO-LBPRGKRZSA-N 2 0 298.387 -1.225 20 0 CAADRP COC(=O)[C@@H](O)C[NH2+]CCN1CCC[N@H+](C)CC1 ZINC001252445856 782115146 /nfs/dbraw/zinc/11/51/46/782115146.db2.gz OKBCDIFETPGXNR-NSHDSACASA-N 2 0 259.350 -1.253 20 0 CAADRP COC(=O)[C@H](O)C[NH2+]CCN1CCC[N@H+](C)CC1 ZINC001252445855 782115379 /nfs/dbraw/zinc/11/53/79/782115379.db2.gz OKBCDIFETPGXNR-LLVKDONJSA-N 2 0 259.350 -1.253 20 0 CAADRP [NH3+]C1CC2(C1)CC(NS(=O)(=O)N1CC[NH2+]CC1)C2 ZINC000923634252 782122302 /nfs/dbraw/zinc/12/23/02/782122302.db2.gz DBDCWKOMJQWARE-UHFFFAOYSA-N 2 0 274.390 -1.004 20 0 CAADRP [NH3+][C@@H]1CC[C@H]2CN(S(=O)(=O)N3CC[NH2+]CC3)C[C@H]12 ZINC000923635613 782122579 /nfs/dbraw/zinc/12/25/79/782122579.db2.gz OIOBDEKXJQETDW-GARJFASQSA-N 2 0 274.390 -1.195 20 0 CAADRP C[C@@H]1CN(S(=O)(=O)N2CC[NH2+]CC2)[C@H](C)C[NH2+]1 ZINC000923634630 782123057 /nfs/dbraw/zinc/12/30/57/782123057.db2.gz PWNVWQNDURASBJ-NXEZZACHSA-N 2 0 262.379 -1.181 20 0 CAADRP C[NH+](C)CCN1CC[C@@]2(CC[N@H+](CC(N)=O)C2)C1=O ZINC001274062185 782132409 /nfs/dbraw/zinc/13/24/09/782132409.db2.gz MYXNMHRSURBEBI-CYBMUJFWSA-N 2 0 268.361 -1.042 20 0 CAADRP C[NH+](C)CCN1CC[C@]2(CC[N@H+](CC(N)=O)C2)C1=O ZINC001274062188 782132723 /nfs/dbraw/zinc/13/27/23/782132723.db2.gz MYXNMHRSURBEBI-ZDUSSCGKSA-N 2 0 268.361 -1.042 20 0 CAADRP C[N@@H+]1CC[C@H](C(=O)N2CCO[C@@H](C[NH2+]CCO)C2)C1 ZINC001280665740 782137194 /nfs/dbraw/zinc/13/71/94/782137194.db2.gz DTDMIGVGPNBESS-RYUDHWBXSA-N 2 0 271.361 -1.253 20 0 CAADRP CC[C@H](C(=O)NC/C=C/C[NH2+]CC(=O)NC(N)=O)[NH+](C)C ZINC001274124916 782137128 /nfs/dbraw/zinc/13/71/28/782137128.db2.gz LCGPYWGNMILARN-BRAIEQGRSA-N 2 0 299.375 -1.217 20 0 CAADRP C[N@@H+]1CC[C@H](C(=O)N2CCO[C@H](C[NH2+]CCO)C2)C1 ZINC001280665739 782137472 /nfs/dbraw/zinc/13/74/72/782137472.db2.gz DTDMIGVGPNBESS-NWDGAFQWSA-N 2 0 271.361 -1.253 20 0 CAADRP C[N@@H+]1CC[C@@H](C(=O)N2CCO[C@H](C[NH2+]CCO)C2)C1 ZINC001280665741 782137222 /nfs/dbraw/zinc/13/72/22/782137222.db2.gz DTDMIGVGPNBESS-VXGBXAGGSA-N 2 0 271.361 -1.253 20 0 CAADRP C[NH+](C)CCN1CC[C@@]2(CCC[N@@H+]2C[C@H](O)CO)C1=O ZINC001274565715 782151498 /nfs/dbraw/zinc/15/14/98/782151498.db2.gz SEOTZKGWNHTKGF-JSGCOSHPSA-N 2 0 285.388 -1.032 20 0 CAADRP C[NH+](C)CCN1CC[C@]2(CCC[N@@H+]2C[C@H](O)CO)C1=O ZINC001274565714 782151667 /nfs/dbraw/zinc/15/16/67/782151667.db2.gz SEOTZKGWNHTKGF-GXTWGEPZSA-N 2 0 285.388 -1.032 20 0 CAADRP C[NH+](C)CCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2C[C@H](O)CO ZINC001274564628 782151684 /nfs/dbraw/zinc/15/16/84/782151684.db2.gz KJOHBZBBYZDKSH-YNEHKIRRSA-N 2 0 285.388 -1.034 20 0 CAADRP C[C@H]([NH3+])CN(C)S(=O)(=O)C[C@@H]1C[NH2+]CCO1 ZINC000866782028 582254296 /nfs/dbraw/zinc/25/42/96/582254296.db2.gz ZNXQXMLKXPMNAH-IUCAKERBSA-N 2 0 251.352 -1.416 20 0 CAADRP C[C@@H](C[NH3+])NC(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000262547810 533805321 /nfs/dbraw/zinc/80/53/21/533805321.db2.gz WAYUQGLDLHXQCH-VHSXEESVSA-N 2 0 256.350 -1.140 20 0 CAADRP C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CNC(=O)C[NH3+] ZINC000094459954 533997448 /nfs/dbraw/zinc/99/74/48/533997448.db2.gz NAPHPWVMYYANSS-VHSXEESVSA-N 2 0 254.334 -1.244 20 0 CAADRP C[C@H]1C[NH2+]CCN1C(=O)C(=O)N(C)CC[NH+](C)C ZINC000423612851 534007606 /nfs/dbraw/zinc/00/76/06/534007606.db2.gz UYIYFESBWFHPDU-JTQLQIEISA-N 2 0 256.350 -1.173 20 0 CAADRP CNC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001274883363 782161526 /nfs/dbraw/zinc/16/15/26/782161526.db2.gz JFAPPPJGGBBFPM-NXEZZACHSA-N 2 0 256.350 -1.079 20 0 CAADRP O=C(CC[N@@H+]1CCN2C(=O)NC[C@H]2C1)N1CC[NH2+]CC1 ZINC000091753241 534404098 /nfs/dbraw/zinc/40/40/98/534404098.db2.gz JPZRUFKCQUDQOA-NSHDSACASA-N 2 0 281.360 -1.482 20 0 CAADRP NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)[C@H]2C[NH2+]CCO2)C1 ZINC000430899124 534449332 /nfs/dbraw/zinc/44/93/32/534449332.db2.gz YVRPFAOUCOCZMS-NWDGAFQWSA-N 2 0 298.387 -1.322 20 0 CAADRP NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)[C@H]1CC[NH2+]1 ZINC000444175199 534453740 /nfs/dbraw/zinc/45/37/40/534453740.db2.gz JIXCWZMATURWJE-NXEZZACHSA-N 2 0 254.334 -1.196 20 0 CAADRP NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)C[C@H]1C[NH2+]CCO1 ZINC000430900288 534454724 /nfs/dbraw/zinc/45/47/24/534454724.db2.gz PGUWBFPIHDYCCH-NWDGAFQWSA-N 2 0 298.387 -1.179 20 0 CAADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C[NH3+])CC1 ZINC000236838270 520571068 /nfs/dbraw/zinc/57/10/68/520571068.db2.gz JPULRMABBINJHC-UHFFFAOYSA-N 2 0 256.350 -1.042 20 0 CAADRP [NH3+]CC1CC[NH+](CC(=O)N2CCNC(=O)C2)CC1 ZINC000430604237 534597023 /nfs/dbraw/zinc/59/70/23/534597023.db2.gz MDUYZPDVXFAOKA-UHFFFAOYSA-N 2 0 254.334 -1.385 20 0 CAADRP O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)[C@@H]1C[NH2+]CCO1 ZINC000091668001 534602130 /nfs/dbraw/zinc/60/21/30/534602130.db2.gz ZYIVUGIDTLTXGV-TUAOUCFPSA-N 2 0 269.345 -1.046 20 0 CAADRP COCC[N@H+](C)CCNC(=O)CN1CC[NH2+]CC1 ZINC000061380654 523589268 /nfs/dbraw/zinc/58/92/68/523589268.db2.gz NHEIYYOQWTYBJP-UHFFFAOYSA-N 2 0 258.366 -1.414 20 0 CAADRP C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)CNC(=O)C[NH3+] ZINC000246501134 524689606 /nfs/dbraw/zinc/68/96/06/524689606.db2.gz NAPHPWVMYYANSS-UWVGGRQHSA-N 2 0 254.334 -1.244 20 0 CAADRP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)CNC(=O)C[NH3+] ZINC000246501144 525088850 /nfs/dbraw/zinc/08/88/50/525088850.db2.gz NAPHPWVMYYANSS-ZJUUUORDSA-N 2 0 254.334 -1.244 20 0 CAADRP CCO[C@H](CC[NH+](C)C)CNC(=O)CNC(=O)C[NH3+] ZINC000347649683 528032866 /nfs/dbraw/zinc/03/28/66/528032866.db2.gz IMIDRVNIMZGVLB-SNVBAGLBSA-N 2 0 274.365 -1.466 20 0 CAADRP CC1CC[NH+](CCNC(=O)C(=O)NCC[NH3+])CC1 ZINC000040770949 528243124 /nfs/dbraw/zinc/24/31/24/528243124.db2.gz KZGOFWNKCTVWKJ-UHFFFAOYSA-N 2 0 256.350 -1.091 20 0 CAADRP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N(CC[NH3+])CCO ZINC000419786112 528263085 /nfs/dbraw/zinc/26/30/85/528263085.db2.gz UGVUFCWTDGYFNG-LLVKDONJSA-N 2 0 288.392 -1.388 20 0 CAADRP CC[NH+]1CCN(CC(=O)NCCN2CC[NH2+]CC2)CC1 ZINC000428650359 529137905 /nfs/dbraw/zinc/13/79/05/529137905.db2.gz INHFAGUTOBBAJA-UHFFFAOYSA-N 2 0 283.420 -1.355 20 0 CAADRP CC[NH+]1CCN(CC(=O)NCC[NH2+]CCOC)CC1 ZINC000262087872 529137913 /nfs/dbraw/zinc/13/79/13/529137913.db2.gz GJJBJPFLXMFJRB-UHFFFAOYSA-N 2 0 272.393 -1.024 20 0 CAADRP CC[C@@H]1CN(C(=O)CNC(=O)C[NH3+])CC[N@@H+]1CCOC ZINC000125230860 529362946 /nfs/dbraw/zinc/36/29/46/529362946.db2.gz FBNOTKSRRMXALK-LLVKDONJSA-N 2 0 286.376 -1.370 20 0 CAADRP CO[C@H](C[NH3+])CC(=O)NC[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000394371993 545498123 /nfs/dbraw/zinc/49/81/23/545498123.db2.gz GPZSQDJORNWALF-NEPJUHHUSA-N 2 0 270.377 -1.144 20 0 CAADRP C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)NC(CO)CO ZINC000665758947 545499610 /nfs/dbraw/zinc/49/96/10/545499610.db2.gz UVSXZQVCOKBEPB-NSHDSACASA-N 2 0 290.408 -1.089 20 0 CAADRP CCO[C@@H]1CN(C(=O)[C@@H]2C[NH2+]CCO2)C[C@H]1C[NH3+] ZINC000653243516 545502775 /nfs/dbraw/zinc/50/27/75/545502775.db2.gz FRLTWBZSNNAFBP-OUAUKWLOSA-N 2 0 257.334 -1.203 20 0 CAADRP CC1(OCC(=O)NC[C@@H]2C[N@@H+]3CCN2CCC3)C[NH2+]C1 ZINC000394392560 545498484 /nfs/dbraw/zinc/49/84/84/545498484.db2.gz RMZUIKBVMXSXDQ-GFCCVEGCSA-N 2 0 282.388 -1.129 20 0 CAADRP O=C(CNC(=O)[C@@H]1C[C@]12CCC[NH2+]C2)N1CC[NH2+]CC1 ZINC000655415476 545505126 /nfs/dbraw/zinc/50/51/26/545505126.db2.gz UYQBACFGEXUYGS-FZMZJTMJSA-N 2 0 280.372 -1.076 20 0 CAADRP O=C(CNC(=O)[C@@H]1C[C@@]12CCC[NH2+]C2)N1CC[NH2+]CC1 ZINC000655415478 545505187 /nfs/dbraw/zinc/50/51/87/545505187.db2.gz UYQBACFGEXUYGS-SMDDNHRTSA-N 2 0 280.372 -1.076 20 0 CAADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1 ZINC000664083472 545509715 /nfs/dbraw/zinc/50/97/15/545509715.db2.gz RJUQBUQHXBGCOC-AGIUHOORSA-N 2 0 299.419 -1.452 20 0 CAADRP C[NH+](C)CCNC(=O)c1cc(C(=O)NCC[NH+](C)C)[nH]n1 ZINC000220269958 545524675 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CC(C)[C@H]1C[N@H+](C)CCN1C(=O)CNC(=O)C[NH3+] ZINC000648155619 582110202 /nfs/dbraw/zinc/11/02/02/582110202.db2.gz TWZRWNKMZZDBMD-SNVBAGLBSA-N 2 0 256.350 -1.140 20 0 CAADRP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)CNC(=O)C[NH3+] ZINC000648155618 582110227 /nfs/dbraw/zinc/11/02/27/582110227.db2.gz TWZRWNKMZZDBMD-JTQLQIEISA-N 2 0 256.350 -1.140 20 0 CAADRP C[C@]12C[NH2+]C[C@H]1CN(C(=O)NCC(=O)N1CC[NH2+]CC1)C2 ZINC000891970760 582110528 /nfs/dbraw/zinc/11/05/28/582110528.db2.gz NNMMGYBUIMBXCJ-SMDDNHRTSA-N 2 0 295.387 -1.331 20 0 CAADRP [NH3+]C[C@H]1CCCCN1C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000891969867 582110573 /nfs/dbraw/zinc/11/05/73/582110573.db2.gz BVMVYYGERQKOTF-LLVKDONJSA-N 2 0 283.376 -1.059 20 0 CAADRP [NH3+][C@H]1CCC[C@@H](NC(=O)NCC(=O)N2CC[NH2+]CC2)C1 ZINC000891970362 582110592 /nfs/dbraw/zinc/11/05/92/582110592.db2.gz FUOGGDSDPYKSNR-WDEREUQCSA-N 2 0 283.376 -1.013 20 0 CAADRP [NH3+][C@H]1CCC[C@H](NC(=O)NCC(=O)N2CC[NH2+]CC2)C1 ZINC000891970361 582110662 /nfs/dbraw/zinc/11/06/62/582110662.db2.gz 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O=C(C1C[NH+]([C@@H]2CCOC2)C1)N1CC(N2CC[C@@H](O)C2)C1 ZINC000898084781 582119168 /nfs/dbraw/zinc/11/91/68/582119168.db2.gz NKYDCCWTSSMDGU-TZMCWYRMSA-N 2 0 295.383 -1.016 20 0 CAADRP O=C(NCC[N@H+]1CC[C@H](O)C1)C1C[NH+]([C@H]2CCOC2)C1 ZINC000899154115 582120491 /nfs/dbraw/zinc/12/04/91/582120491.db2.gz LORCZFAHLCUCPI-STQMWFEESA-N 2 0 283.372 -1.110 20 0 CAADRP C[C@H](C[NH+]1CCOCC1)C(=O)NCC[N@H+](C)CCO ZINC000899736463 582122206 /nfs/dbraw/zinc/12/22/06/582122206.db2.gz GJJSDXGSRPRYFL-GFCCVEGCSA-N 2 0 273.377 -1.005 20 0 CAADRP C[N@H+](CCO)CCNC(=O)[C@@H]1C[NH+]2CCN1CCC2 ZINC000899736776 582122251 /nfs/dbraw/zinc/12/22/51/582122251.db2.gz TZKAQDCEMRKJCY-LBPRGKRZSA-N 2 0 270.377 -1.583 20 0 CAADRP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)c1cn(CC[NH3+])nn1 ZINC000659306585 582123238 /nfs/dbraw/zinc/12/32/38/582123238.db2.gz DYLQPWUQVPLXPN-IUCAKERBSA-N 2 0 252.322 -1.035 20 0 CAADRP COC[C@@]1(C(=O)NC[C@@H]([NH3+])C2CC2)C[NH2+]CCO1 ZINC000876791670 582123308 /nfs/dbraw/zinc/12/33/08/582123308.db2.gz 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GPBDEQJXIHOKKL-LBPRGKRZSA-N 2 0 270.377 -1.224 20 0 CAADRP O=C(CO[C@@H]1CCC[NH2+]C1)NCC(=O)N1CC[NH2+]CC1 ZINC000843316593 582213811 /nfs/dbraw/zinc/21/38/11/582213811.db2.gz WDTGAIVCPCMZKF-LLVKDONJSA-N 2 0 284.360 -1.697 20 0 CAADRP CN1CCN(C(=O)CO[C@@H]2CCC[NH2+]C2)[C@H](C[NH3+])C1 ZINC000843356718 582213925 /nfs/dbraw/zinc/21/39/25/582213925.db2.gz WTPAAPKKYIFGOT-VXGBXAGGSA-N 2 0 270.377 -1.144 20 0 CAADRP [NH3+]CCc1ccc(CNC(=O)CNC(=O)C[NH3+])cc1 ZINC000843326941 582213967 /nfs/dbraw/zinc/21/39/67/582213967.db2.gz ZDNHYZPQNRNIMN-UHFFFAOYSA-N 2 0 264.329 -1.121 20 0 CAADRP [NH3+]C[C@@H]1CN(C(=O)CO[C@H]2CCC[NH2+]C2)CCO1 ZINC000843463118 582214616 /nfs/dbraw/zinc/21/46/16/582214616.db2.gz ZCWSDXDBVIEXPW-WDEREUQCSA-N 2 0 257.334 -1.059 20 0 CAADRP O=C(CO[C@@H]1CCC[NH2+]C1)NC[C@@H]1C[NH2+]CCO1 ZINC000843497161 582214996 /nfs/dbraw/zinc/21/49/96/582214996.db2.gz FTBGFOZANAJDPE-MNOVXSKESA-N 2 0 257.334 -1.140 20 0 CAADRP C[NH2+]CCN(C)C(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000848637149 582226849 /nfs/dbraw/zinc/22/68/49/582226849.db2.gz JWUZRLCUABOZEF-WDEREUQCSA-N 2 0 284.360 -2.058 20 0 CAADRP C[NH2+]C[C@H](C)NC(=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000851684556 582228994 /nfs/dbraw/zinc/22/89/94/582228994.db2.gz JAPXUUQGURTVKS-TUAOUCFPSA-N 2 0 298.387 -1.310 20 0 CAADRP O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)C(=O)N[C@H]1CC[NH2+]C1 ZINC000851685998 582229149 /nfs/dbraw/zinc/22/91/49/582229149.db2.gz YIPVSKUINVKVRN-SDDRHHMPSA-N 2 0 296.371 -1.556 20 0 CAADRP O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)C(=O)N[C@H]1CC[NH2+]C1 ZINC000851685993 582229156 /nfs/dbraw/zinc/22/91/56/582229156.db2.gz YIPVSKUINVKVRN-QJPTWQEYSA-N 2 0 296.371 -1.556 20 0 CAADRP CN(CCC[NH3+])C(=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000851685003 582229173 /nfs/dbraw/zinc/22/91/73/582229173.db2.gz OMSUAPGYZFWCNG-NEPJUHHUSA-N 2 0 298.387 -1.227 20 0 CAADRP C[NH2+]C[C@H](C)NC(=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000851684555 582229177 /nfs/dbraw/zinc/22/91/77/582229177.db2.gz JAPXUUQGURTVKS-SRVKXCTJSA-N 2 0 298.387 -1.310 20 0 CAADRP C[NH2+]C[C@H](C)NC(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000851684554 582229191 /nfs/dbraw/zinc/22/91/91/582229191.db2.gz JAPXUUQGURTVKS-SDDRHHMPSA-N 2 0 298.387 -1.310 20 0 CAADRP [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)C2=NO[C@@H](C[NH3+])C2)C1 ZINC000852795555 582230607 /nfs/dbraw/zinc/23/06/07/582230607.db2.gz XVGFLDUKXRLIOA-NXEZZACHSA-N 2 0 297.359 -1.597 20 0 CAADRP [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)C2=NO[C@@H](C[NH3+])C2)C1 ZINC000852795588 582230611 /nfs/dbraw/zinc/23/06/11/582230611.db2.gz XVGFLDUKXRLIOA-VHSXEESVSA-N 2 0 297.359 -1.597 20 0 CAADRP [NH3+]C[C@@H]1CC(C(=O)NCCN2CC[NH2+]CC2)=NO1 ZINC000852793167 582230627 /nfs/dbraw/zinc/23/06/27/582230627.db2.gz SOAZAJUWRHCNDF-VIFPVBQESA-N 2 0 255.322 -1.889 20 0 CAADRP O=C(NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)C1(O)C[NH2+]C1 ZINC000852863651 582231532 /nfs/dbraw/zinc/23/15/32/582231532.db2.gz HVKCWANUUIIPAC-UWVGGRQHSA-N 2 0 255.318 -1.700 20 0 CAADRP COCC[N@@H+]1CC[C@@H](NC(=O)C2=NO[C@H](C[NH3+])C2)C1 ZINC000852867530 582231563 /nfs/dbraw/zinc/23/15/63/582231563.db2.gz XCBNDOJSCVXVPT-ZJUUUORDSA-N 2 0 270.333 -1.073 20 0 CAADRP CC[NH+]1CCN(CCNC(=O)C2=NO[C@H](C[NH3+])C2)CC1 ZINC000852873303 582231591 /nfs/dbraw/zinc/23/15/91/582231591.db2.gz REXWTDYRRZZAMB-NSHDSACASA-N 2 0 283.376 -1.156 20 0 CAADRP COC(=O)[C@H]1C[NH2+]CCCN1C(=O)C1=NO[C@H](C[NH3+])C1 ZINC000852879858 582231714 /nfs/dbraw/zinc/23/17/14/582231714.db2.gz HJXBSBDVRXJYQJ-WCBMZHEXSA-N 2 0 284.316 -1.547 20 0 CAADRP COC[C@@]1(CNC(=O)C2=NO[C@H](C[NH3+])C2)CCC[NH2+]1 ZINC000852879398 582231738 /nfs/dbraw/zinc/23/17/38/582231738.db2.gz DUGQJHMNCCPTJV-CABZTGNLSA-N 2 0 270.333 -1.025 20 0 CAADRP [NH3+]C[C@@H]1CC(C(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)=NO1 ZINC000852880244 582231742 /nfs/dbraw/zinc/23/17/42/582231742.db2.gz KZYGYPLQGDTJHJ-MNOVXSKESA-N 2 0 281.360 -1.404 20 0 CAADRP [NH3+]C[C@H]1CC(C(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)=NO1 ZINC000852881610 582231872 /nfs/dbraw/zinc/23/18/72/582231872.db2.gz YMTORSFXQSMKRF-GHMZBOCLSA-N 2 0 281.360 -1.404 20 0 CAADRP [NH3+]C[C@@H]1CC(C(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)=NO1 ZINC000852880245 582231879 /nfs/dbraw/zinc/23/18/79/582231879.db2.gz KZYGYPLQGDTJHJ-QWRGUYRKSA-N 2 0 281.360 -1.404 20 0 CAADRP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)C1=NO[C@H](C[NH3+])C1 ZINC000852908020 582232561 /nfs/dbraw/zinc/23/25/61/582232561.db2.gz REFMLJWXTFITBX-JTQLQIEISA-N 2 0 299.375 -1.432 20 0 CAADRP C[C@H]([NH3+])CN(C)C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000861639188 582244365 /nfs/dbraw/zinc/24/43/65/582244365.db2.gz JARMIGDNZDYYFT-VIFPVBQESA-N 2 0 257.338 -1.593 20 0 CAADRP C[C@H]([NH3+])CN(C)C(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000861754708 582244836 /nfs/dbraw/zinc/24/48/36/582244836.db2.gz JOQFNVUESYFJML-SDDRHHMPSA-N 2 0 298.387 -1.229 20 0 CAADRP C[C@H]([NH3+])CN(C)C(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000861754700 582244901 /nfs/dbraw/zinc/24/49/01/582244901.db2.gz JOQFNVUESYFJML-QJPTWQEYSA-N 2 0 298.387 -1.229 20 0 CAADRP CCN(CC[NH3+])C(=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000861755038 582244918 /nfs/dbraw/zinc/24/49/18/582244918.db2.gz LYWJHIUHNPYFHA-RYUDHWBXSA-N 2 0 298.387 -1.227 20 0 CAADRP CCN(CC[NH3+])C(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000861755037 582244921 /nfs/dbraw/zinc/24/49/21/582244921.db2.gz LYWJHIUHNPYFHA-NWDGAFQWSA-N 2 0 298.387 -1.227 20 0 CAADRP COCCC[N@H+](C)CCNC(=O)C(=O)N(C)C[C@@H](C)[NH3+] ZINC000861757999 582244951 /nfs/dbraw/zinc/24/49/51/582244951.db2.gz OIGPJWRFFNMJAT-LLVKDONJSA-N 2 0 288.392 -1.124 20 0 CAADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N(C)C[C@@H](C)[NH3+])C1 ZINC000861769175 582245050 /nfs/dbraw/zinc/24/50/50/582245050.db2.gz XBHBAFWEKYPDQV-MNOVXSKESA-N 2 0 286.376 -1.371 20 0 CAADRP COCC[N@H+](C)CCNC(=O)C(=O)N(C)C[C@@H](C)[NH3+] ZINC000861755891 582245080 /nfs/dbraw/zinc/24/50/80/582245080.db2.gz VAFHKQDZZYIOED-SNVBAGLBSA-N 2 0 274.365 -1.514 20 0 CAADRP C[C@H]([NH3+])CN(C)C(=O)C(=O)NCCOCC[NH+](C)C ZINC000861770698 582245086 /nfs/dbraw/zinc/24/50/86/582245086.db2.gz BXLKYORFAIGZSE-JTQLQIEISA-N 2 0 274.365 -1.514 20 0 CAADRP COCCN(CC[NH+](C)C)C(=O)C(=O)N(C)C[C@H](C)[NH3+] ZINC000863755150 582249787 /nfs/dbraw/zinc/24/97/87/582249787.db2.gz JVLPNGKHXJTHHH-NSHDSACASA-N 2 0 288.392 -1.171 20 0 CAADRP C[N@@H+]1C[C@@H](O)C[C@]1(C)C(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC000864059917 582250712 /nfs/dbraw/zinc/25/07/12/582250712.db2.gz UDRFNWRAGDGYOI-KZVDOYCCSA-N 2 0 283.372 -1.281 20 0 CAADRP C[NH+](C)CCNC(=O)C(F)C(=O)NCC[NH+](C)C ZINC000864415992 582252428 /nfs/dbraw/zinc/25/24/28/582252428.db2.gz KZCIJDACIXMJFO-UHFFFAOYSA-N 2 0 262.329 -1.320 20 0 CAADRP [NH3+]C[C@@H]1CCCN(S(=O)(=O)C[C@@H]2C[NH2+]CCO2)C1 ZINC000866737773 582254073 /nfs/dbraw/zinc/25/40/73/582254073.db2.gz IFXCVJTYQYTFIA-QWRGUYRKSA-N 2 0 277.390 -1.025 20 0 CAADRP [NH3+]C[C@@H]1CCCN(S(=O)(=O)C[C@H]2C[NH2+]CCO2)C1 ZINC000866737775 582254167 /nfs/dbraw/zinc/25/41/67/582254167.db2.gz IFXCVJTYQYTFIA-WDEREUQCSA-N 2 0 277.390 -1.025 20 0 CAADRP O=S(=O)(C[C@H]1C[NH2+]CCO1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000866768085 582254195 /nfs/dbraw/zinc/25/41/95/582254195.db2.gz NLEZPBVGWKTCJY-MXWKQRLJSA-N 2 0 275.374 -1.402 20 0 CAADRP C[C@H]([NH3+])CN(C)S(=O)(=O)C[C@H]1C[NH2+]CCO1 ZINC000866782026 582254333 /nfs/dbraw/zinc/25/43/33/582254333.db2.gz ZNXQXMLKXPMNAH-DTWKUNHWSA-N 2 0 251.352 -1.416 20 0 CAADRP O=S(=O)(C[C@@H]1C[NH2+]CCO1)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000866769379 582254378 /nfs/dbraw/zinc/25/43/78/582254378.db2.gz LPGVMBRBGVCBPH-SDDRHHMPSA-N 2 0 289.401 -1.012 20 0 CAADRP C[N@@H+]1CC[C@H]2CN(C(=O)C(=O)N3CC[NH2+]CC3)CC[C@@H]21 ZINC000868385076 582256169 /nfs/dbraw/zinc/25/61/69/582256169.db2.gz JJZJLAOOMXYACI-RYUDHWBXSA-N 2 0 280.372 -1.029 20 0 CAADRP CN(CC[NH3+])C(=O)C(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000868390375 582256185 /nfs/dbraw/zinc/25/61/85/582256185.db2.gz ITYNYWVRRDIOGP-WDEREUQCSA-N 2 0 268.361 -1.044 20 0 CAADRP CN(CC[NH3+])C(=O)C(=O)N1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000868390371 582256209 /nfs/dbraw/zinc/25/62/09/582256209.db2.gz ITYNYWVRRDIOGP-MNOVXSKESA-N 2 0 268.361 -1.044 20 0 CAADRP CN(CC[NH3+])C(=O)C(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000868390373 582256237 /nfs/dbraw/zinc/25/62/37/582256237.db2.gz ITYNYWVRRDIOGP-QWRGUYRKSA-N 2 0 268.361 -1.044 20 0 CAADRP O=C(CC[NH2+]CC1CC1)NCC(=O)N1CC[NH2+]CC1 ZINC000870933286 582257645 /nfs/dbraw/zinc/25/76/45/582257645.db2.gz SYVCHTKPNDTPNV-UHFFFAOYSA-N 2 0 268.361 -1.076 20 0 CAADRP C[NH+](C)CC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000871000616 582257838 /nfs/dbraw/zinc/25/78/38/582257838.db2.gz LKXSXMGRESAHHJ-AXFHLTTASA-N 2 0 282.344 -1.059 20 0 CAADRP C[NH2+][C@H]1CCN(C(=O)[C@]2(COC)C[NH2+]CCO2)C1 ZINC000876506765 582262462 /nfs/dbraw/zinc/26/24/62/582262462.db2.gz ZAAKJMVNBUANFN-CMPLNLGQSA-N 2 0 257.334 -1.188 20 0 CAADRP [NH3+]C[C@@H]1[C@H](C(=O)NCC(=O)N2CC[NH2+]CC2)C1(F)F ZINC000876511567 582262478 /nfs/dbraw/zinc/26/24/78/582262478.db2.gz MVCUZFNKTKGHCE-VXNVDRBHSA-N 2 0 276.287 -1.626 20 0 CAADRP COC[C@]1(C(=O)N[C@H]2CCC[NH2+]C2)C[NH2+]CCO1 ZINC000876507577 582262484 /nfs/dbraw/zinc/26/24/84/582262484.db2.gz KKMXYYGUKTYSDG-JQWIXIFHSA-N 2 0 257.334 -1.140 20 0 CAADRP C[NH2+][C@H]1CCN(C(=O)[C@@]2(COC)C[NH2+]CCO2)C1 ZINC000876506767 582262492 /nfs/dbraw/zinc/26/24/92/582262492.db2.gz ZAAKJMVNBUANFN-JQWIXIFHSA-N 2 0 257.334 -1.188 20 0 CAADRP CC1(C)[C@H](C(=O)NCC(=O)N2CC[NH2+]CC2)C[C@@H]1[NH3+] ZINC000876512654 582262534 /nfs/dbraw/zinc/26/25/34/582262534.db2.gz VJQIHJHDNZHCBJ-UWVGGRQHSA-N 2 0 268.361 -1.092 20 0 CAADRP COC[C@]1(C(=O)NCC[NH2+]C2CC2)C[NH2+]CCO1 ZINC000876522075 582262632 /nfs/dbraw/zinc/26/26/32/582262632.db2.gz GZFGPNRNZDCGRT-LBPRGKRZSA-N 2 0 257.334 -1.140 20 0 CAADRP CN(CC(=O)N1CC[NH2+]CC1)C(=O)[C@H](F)[C@H]1CC[NH2+]C1 ZINC000876511699 582262652 /nfs/dbraw/zinc/26/26/52/582262652.db2.gz SLOMBYZJPSJHJO-CMPLNLGQSA-N 2 0 286.351 -1.176 20 0 CAADRP C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000876512018 582262654 /nfs/dbraw/zinc/26/26/54/582262654.db2.gz DJWURMYEDSXABY-JGLYPNHGSA-N 2 0 280.372 -1.054 20 0 CAADRP C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000876512012 582262666 /nfs/dbraw/zinc/26/26/66/582262666.db2.gz DJWURMYEDSXABY-JDEDCZITSA-N 2 0 280.372 -1.054 20 0 CAADRP COCCC[N@H+](C)CCNC(=O)[C@@H](N)C[NH+](C)C ZINC000876770579 582263039 /nfs/dbraw/zinc/26/30/39/582263039.db2.gz HPSQUXVVOWYFRF-NSHDSACASA-N 2 0 260.382 -1.040 20 0 CAADRP COC[C@]1(C(=O)NCC2([NH3+])CCC2)C[NH2+]CCO1 ZINC000876798157 582263049 /nfs/dbraw/zinc/26/30/49/582263049.db2.gz FIUZMMJULHLTAU-LBPRGKRZSA-N 2 0 257.334 -1.011 20 0 CAADRP COCC[N@@H+]1CC[C@@H](NC(=O)[C@@H](N)C[NH+](C)C)C1 ZINC000876756583 582263071 /nfs/dbraw/zinc/26/30/71/582263071.db2.gz VQGGCBVXELCIOA-MNOVXSKESA-N 2 0 258.366 -1.288 20 0 CAADRP C[NH+](C)C[C@H](N)C(=O)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000876753086 582263125 /nfs/dbraw/zinc/26/31/25/582263125.db2.gz IFKWVYZZDHSXST-RWMBFGLXSA-N 2 0 284.404 -1.067 20 0 CAADRP COC[C@]1(C(=O)N2CCO[C@H](C[NH3+])C2)C[NH2+]CCO1 ZINC000876807745 582263302 /nfs/dbraw/zinc/26/33/02/582263302.db2.gz JOCKTUQDPWCRSW-PWSUYJOCSA-N 2 0 273.333 -1.823 20 0 CAADRP COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)[C@@H](N)C[NH+](C)C ZINC000876847383 582263400 /nfs/dbraw/zinc/26/34/00/582263400.db2.gz JDFNHJAWHXTLPH-UWVGGRQHSA-N 2 0 272.349 -1.761 20 0 CAADRP COC[C@@]1(C(=O)NC[C@@H]2C[NH2+]CCCO2)C[NH2+]CCO1 ZINC000876871815 582263587 /nfs/dbraw/zinc/26/35/87/582263587.db2.gz YMGMDIHDIGULAU-WCQYABFASA-N 2 0 287.360 -1.514 20 0 CAADRP CN(CCCN1CC[NH+](C)CC1)C(=O)[C@@H](N)C[NH+](C)C ZINC000876880927 582263598 /nfs/dbraw/zinc/26/35/98/582263598.db2.gz QGPYLAFKAMARJV-ZDUSSCGKSA-N 2 0 285.436 -1.029 20 0 CAADRP COCCN(CC[NH+](C)C)C(=O)[C@@H](N)C[NH+](C)C ZINC000876880056 582263613 /nfs/dbraw/zinc/26/36/13/582263613.db2.gz YQYHKDIDRSUGHU-NSHDSACASA-N 2 0 260.382 -1.088 20 0 CAADRP COC[C@@]1(C(=O)NC[C@H]2C[NH2+]CCCO2)C[NH2+]CCO1 ZINC000876871814 582263623 /nfs/dbraw/zinc/26/36/23/582263623.db2.gz YMGMDIHDIGULAU-DGCLKSJQSA-N 2 0 287.360 -1.514 20 0 CAADRP COC[C@]1(C(=O)N2CCCO[C@H](C[NH3+])C2)C[NH2+]CCO1 ZINC000876917697 582263703 /nfs/dbraw/zinc/26/37/03/582263703.db2.gz BOIGSRLWUFGITN-YPMHNXCESA-N 2 0 287.360 -1.432 20 0 CAADRP COC[C@]1(C(=O)NC[C@@H]2C[NH2+]CCO2)C[NH2+]CCO1 ZINC000876917891 582263816 /nfs/dbraw/zinc/26/38/16/582263816.db2.gz XKUNDHSHNCEUKQ-JQWIXIFHSA-N 2 0 273.333 -1.904 20 0 CAADRP CN(CCC[NH+](C)C)CCNC(=O)[C@@H](N)C[NH+](C)C ZINC000876961467 582263863 /nfs/dbraw/zinc/26/38/63/582263863.db2.gz UYVRCVIZWZXDPZ-LBPRGKRZSA-N 2 0 273.425 -1.125 20 0 CAADRP O=C(NC[C@@H]1COCC[NH2+]1)c1[nH]nc2c1C[NH2+]CC2 ZINC000877039024 582264012 /nfs/dbraw/zinc/26/40/12/582264012.db2.gz DZULQSPVSFVNMK-MRVPVSSYSA-N 2 0 265.317 -1.226 20 0 CAADRP O=C(NC[C@H]1COCC[NH2+]1)c1[nH]nc2c1C[NH2+]CC2 ZINC000877039025 582264035 /nfs/dbraw/zinc/26/40/35/582264035.db2.gz DZULQSPVSFVNMK-QMMMGPOBSA-N 2 0 265.317 -1.226 20 0 CAADRP COC[C@]1(C(=O)NC[C@@H]2COCC[NH2+]2)C[NH2+]CCO1 ZINC000877038703 582264077 /nfs/dbraw/zinc/26/40/77/582264077.db2.gz WLTMTTJIXHFMBM-PWSUYJOCSA-N 2 0 273.333 -1.904 20 0 CAADRP O=C(CO[C@@H]1CCC[NH2+]C1)NC[C@H]1COCC[NH2+]1 ZINC000877042714 582264158 /nfs/dbraw/zinc/26/41/58/582264158.db2.gz VHJUAOSSGPHKBQ-WDEREUQCSA-N 2 0 257.334 -1.140 20 0 CAADRP O=C(CO[C@H]1CCC[NH2+]C1)NC[C@H]1COCC[NH2+]1 ZINC000877042713 582264187 /nfs/dbraw/zinc/26/41/87/582264187.db2.gz VHJUAOSSGPHKBQ-QWRGUYRKSA-N 2 0 257.334 -1.140 20 0 CAADRP COC[C@@]1(C(=O)NCCOCCC[NH3+])C[NH2+]CCO1 ZINC000877053627 582264198 /nfs/dbraw/zinc/26/41/98/582264198.db2.gz UJXNNYRONVLLOR-GFCCVEGCSA-N 2 0 275.349 -1.527 20 0 CAADRP COC[C@@]1(C(=O)N[C@@H]2CC[NH2+][C@H]2C)C[NH2+]CCO1 ZINC000877111353 582264463 /nfs/dbraw/zinc/26/44/63/582264463.db2.gz JMNCTMIJYZEDPJ-HOSYDEDBSA-N 2 0 257.334 -1.142 20 0 CAADRP COC[C@]1(C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)C[NH2+]CCO1 ZINC000877168910 582264538 /nfs/dbraw/zinc/26/45/38/582264538.db2.gz YHNNKYFIDBYTHF-NHCYSSNCSA-N 2 0 255.318 -1.436 20 0 CAADRP [NH3+]C[C@H]1CN(C(=O)C2(O)C[NH2+]C2)C[C@H]1C(F)(F)F ZINC000877356427 582265113 /nfs/dbraw/zinc/26/51/13/582265113.db2.gz NNKYRWZIGZDWOE-NKWVEPMBSA-N 2 0 267.251 -1.084 20 0 CAADRP COC(=O)[C@H]1C[NH2+]CCCN1C(=O)[C@H](C[NH3+])OC ZINC000884286354 582274436 /nfs/dbraw/zinc/27/44/36/582274436.db2.gz BZZSLYNMQDJCJS-BDAKNGLRSA-N 2 0 259.306 -1.676 20 0 CAADRP COCC[C@H]([NH3+])C(=O)N(CC[NH+](C)C)CC(=O)N(C)C ZINC000884406259 582274780 /nfs/dbraw/zinc/27/47/80/582274780.db2.gz PLVFGRUNRUSXFP-NSHDSACASA-N 2 0 288.392 -1.171 20 0 CAADRP CO[C@@H](C[NH3+])C(=O)N(CC[NH+](C)C)CC(=O)N(C)C ZINC000884406569 582274808 /nfs/dbraw/zinc/27/48/08/582274808.db2.gz YHJRXVIZLPWYGS-JTQLQIEISA-N 2 0 274.365 -1.562 20 0 CAADRP CO[C@@H](C[NH3+])C(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000884430645 582274824 /nfs/dbraw/zinc/27/48/24/582274824.db2.gz XPZNYLHSWATVEP-NSHDSACASA-N 2 0 299.375 -1.871 20 0 CAADRP COCC[C@@H]([NH3+])C(=O)N(CC[NH+](C)C)CC(=O)N(C)C ZINC000884406258 582274850 /nfs/dbraw/zinc/27/48/50/582274850.db2.gz PLVFGRUNRUSXFP-LLVKDONJSA-N 2 0 288.392 -1.171 20 0 CAADRP COCC[N@H+](C)CCNC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000884563003 582275439 /nfs/dbraw/zinc/27/54/39/582275439.db2.gz QUIWNFNVPANVPY-TXEJJXNPSA-N 2 0 298.387 -1.356 20 0 CAADRP COCC[N@H+](C)CCNC(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000884563042 582275520 /nfs/dbraw/zinc/27/55/20/582275520.db2.gz SNHDLUVGKWGLKA-QWRGUYRKSA-N 2 0 284.360 -1.747 20 0 CAADRP COCC[N@H+](C)CCNC(=O)C(=O)N1C[C@@H]([NH3+])C[C@H]1C ZINC000884563034 582275592 /nfs/dbraw/zinc/27/55/92/582275592.db2.gz SDGVWKAXIABTAF-MNOVXSKESA-N 2 0 286.376 -1.371 20 0 CAADRP COCC[N@H+](C)CCCNC(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000884637180 582275619 /nfs/dbraw/zinc/27/56/19/582275619.db2.gz DHBQJWXPDDNLBV-RYUDHWBXSA-N 2 0 298.387 -1.356 20 0 CAADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)C1 ZINC000884643138 582275818 /nfs/dbraw/zinc/27/58/18/582275818.db2.gz YEALGQLIFDRGMF-WOPDTQHZSA-N 2 0 296.371 -1.604 20 0 CAADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2C[C@H]([NH3+])C[C@H]2C)C1 ZINC000884642357 582275840 /nfs/dbraw/zinc/27/58/40/582275840.db2.gz HBRXXRRFCGEHRL-UTUOFQBUSA-N 2 0 298.387 -1.229 20 0 CAADRP C[N@@H+]1CC[C@H]2CN(C(=O)C(=O)NCC[NH3+])CC[C@H]21 ZINC000884673412 582275862 /nfs/dbraw/zinc/27/58/62/582275862.db2.gz WFSQRFLCVZLXIW-VHSXEESVSA-N 2 0 254.334 -1.386 20 0 CAADRP C[NH+](C)CCOCCNC(=O)C(=O)N1CCC[C@@H]1C[NH3+] ZINC000884662227 582275872 /nfs/dbraw/zinc/27/58/72/582275872.db2.gz KXIYDVYLGGLUNZ-LLVKDONJSA-N 2 0 286.376 -1.370 20 0 CAADRP C[NH2+]CCNC(=O)C(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000884686510 582276065 /nfs/dbraw/zinc/27/60/65/582276065.db2.gz MKJBYYWLOJXQPI-GHMZBOCLSA-N 2 0 268.361 -1.125 20 0 CAADRP CCN([C@H]1CC[NH2+]C1)S(=O)(=O)C[C@H]1C[NH2+]CCO1 ZINC000886893335 582279276 /nfs/dbraw/zinc/27/92/76/582279276.db2.gz PPWXEGIKZGYIES-WDEREUQCSA-N 2 0 277.390 -1.012 20 0 CAADRP CCN([C@H]1CC[NH2+]C1)S(=O)(=O)C[C@@H]1C[NH2+]CCO1 ZINC000886893334 582279364 /nfs/dbraw/zinc/27/93/64/582279364.db2.gz PPWXEGIKZGYIES-QWRGUYRKSA-N 2 0 277.390 -1.012 20 0 CAADRP C[NH+]1CCC(C(=O)NC[C@H]2C[N@H+](CCO)C[C@H]2O)CC1 ZINC000958375788 616167101 /nfs/dbraw/zinc/16/71/01/616167101.db2.gz WCFMDILIOXPMIS-QWHCGFSZSA-N 2 0 285.388 -1.271 20 0 CAADRP CN1CCO[C@H](C(=O)N2CC[C@@H]([N@H+](C)CCO)C2)C1 ZINC000971266226 616258056 /nfs/dbraw/zinc/25/80/56/616258056.db2.gz GYLOQWBDEVOQRT-NEPJUHHUSA-N 2 0 271.361 -1.158 20 0 CAADRP C[N@@H+]1CC[C@@H](C(=O)N2CC[C@@H]([NH2+]CC(N)=O)C2)C1 ZINC000970713498 616265074 /nfs/dbraw/zinc/26/50/74/616265074.db2.gz ZBISBSSVBYUPKD-NXEZZACHSA-N 2 0 254.334 -1.386 20 0 CAADRP 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 616266699 /nfs/dbraw/zinc/26/66/99/616266699.db2.gz MKFVARQIOHWLMY-KKOKHZNYSA-N 2 0 280.372 -1.283 20 0 CAADRP C[N@@H+]1CC[C@H](C(=O)N2CCN(C3CN(CCO)C3)CC2)C1 ZINC000941666452 616359698 /nfs/dbraw/zinc/35/96/98/616359698.db2.gz ZVQWGDIPUVPLHB-ZDUSSCGKSA-N 2 0 296.415 -1.241 20 0 CAADRP 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 616373576 /nfs/dbraw/zinc/37/35/76/616373576.db2.gz MKFVARQIOHWLMY-FIQHERPVSA-N 2 0 280.372 -1.283 20 0 CAADRP CNC(=O)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC000979076252 616640456 /nfs/dbraw/zinc/64/04/56/616640456.db2.gz VOQHSQAXBRXBJF-ZDEQEGDKSA-N 2 0 294.399 -1.022 20 0 CAADRP CNC(=O)CN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[N@H+](C)C1 ZINC000962551212 616645204 /nfs/dbraw/zinc/64/52/04/616645204.db2.gz HLMDKNUXWGHFQW-MEWQQHAOSA-N 2 0 280.372 -1.270 20 0 CAADRP C[C@@H]1C[C@@H](NS(=O)(=O)N2CC[NH2+]CC2)CC[NH2+]1 ZINC000923635843 656811263 /nfs/dbraw/zinc/81/12/63/656811263.db2.gz IFZVQGMXAIOVSJ-ZJUUUORDSA-N 2 0 262.379 -1.134 20 0 CAADRP NC(=O)C[NH2+][C@H]1C[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001021051960 656010611 /nfs/dbraw/zinc/01/06/11/656010611.db2.gz SOJZYTIQHHQLBY-MGCOHNPYSA-N 2 0 254.334 -1.196 20 0 CAADRP NC(=O)C[NH2+][C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC000970490548 656015891 /nfs/dbraw/zinc/01/58/91/656015891.db2.gz TZSXAAFOECKFFT-SNVBAGLBSA-N 2 0 266.345 -1.242 20 0 CAADRP NC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC001022119825 656026452 /nfs/dbraw/zinc/02/64/52/656026452.db2.gz JBYKFMOWFBZSJJ-KXNHARMFSA-N 2 0 296.371 -1.428 20 0 CAADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC(N)=O)C1 ZINC001022720505 656033503 /nfs/dbraw/zinc/03/35/03/656033503.db2.gz QYHWEIDRXYDZRG-UKKRHICBSA-N 2 0 268.361 -1.094 20 0 CAADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC(N)=O)C1 ZINC001022720506 656033627 /nfs/dbraw/zinc/03/36/27/656033627.db2.gz QYHWEIDRXYDZRG-ZNSHCXBVSA-N 2 0 268.361 -1.094 20 0 CAADRP 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 656035268 /nfs/dbraw/zinc/03/52/68/656035268.db2.gz LRIKCOMAGCMAEV-KKOKHZNYSA-N 2 0 298.387 -1.779 20 0 CAADRP NC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001022981383 656040929 /nfs/dbraw/zinc/04/09/29/656040929.db2.gz MPSLSVMQPAIKRB-AOOOYVTPSA-N 2 0 266.345 -1.196 20 0 CAADRP 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 656067819 /nfs/dbraw/zinc/06/78/19/656067819.db2.gz BREQHONJPUEZCG-ODXJTPSBSA-N 2 0 295.383 -1.112 20 0 CAADRP 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 656068158 /nfs/dbraw/zinc/06/81/58/656068158.db2.gz BREQHONJPUEZCG-RGDJUOJXSA-N 2 0 295.383 -1.112 20 0 CAADRP CNC(=O)CN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[N@H+](C)C[C@@H]1C ZINC001026044679 656070941 /nfs/dbraw/zinc/07/09/41/656070941.db2.gz QTQUWUIASKWQOL-SVPLCASGSA-N 2 0 294.399 -1.024 20 0 CAADRP CNC(=O)CN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@H+](C)C[C@@H]1C ZINC001026044680 656071006 /nfs/dbraw/zinc/07/10/06/656071006.db2.gz QTQUWUIASKWQOL-ZXPJVPCYSA-N 2 0 294.399 -1.024 20 0 CAADRP CNC(=O)CN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@H+](C)C[C@H]1C ZINC001026044677 656071040 /nfs/dbraw/zinc/07/10/40/656071040.db2.gz QTQUWUIASKWQOL-MOWSAHLDSA-N 2 0 294.399 -1.024 20 0 CAADRP 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 656071700 /nfs/dbraw/zinc/07/17/00/656071700.db2.gz YEVDKETVKFFRSQ-KIJLLGNVSA-N 2 0 292.383 -1.127 20 0 CAADRP COCC[N@H+](C)C[C@H](O)CN1CCO[C@H](C[NH3+])C1 ZINC000311133899 656076644 /nfs/dbraw/zinc/07/66/44/656076644.db2.gz JZUJDWOVDMKVDH-NWDGAFQWSA-N 2 0 261.366 -1.415 20 0 CAADRP COCC[N@H+](C)C[C@H](O)CN1CCCO[C@@H](C[NH3+])C1 ZINC000313374275 656081143 /nfs/dbraw/zinc/08/11/43/656081143.db2.gz KSGJEFTZVGYOFA-STQMWFEESA-N 2 0 275.393 -1.025 20 0 CAADRP COCC[N@H+](C)C[C@@H](O)CN1CCCO[C@H](C[NH3+])C1 ZINC000313374271 656081373 /nfs/dbraw/zinc/08/13/73/656081373.db2.gz KSGJEFTZVGYOFA-CHWSQXEVSA-N 2 0 275.393 -1.025 20 0 CAADRP C[C@]1(NC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)CC[NH2+]C1 ZINC000663009214 656089494 /nfs/dbraw/zinc/08/94/94/656089494.db2.gz BFAOVBODXHFYEK-CABZTGNLSA-N 2 0 254.334 -1.277 20 0 CAADRP CN1CCO[C@@H](C(=O)NC[C@H]2CC[N@H+](CCO)C2)C1 ZINC001028461270 656114663 /nfs/dbraw/zinc/11/46/63/656114663.db2.gz NIMKHFINKWSWSJ-VXGBXAGGSA-N 2 0 271.361 -1.253 20 0 CAADRP CN1CCO[C@@H](C(=O)NC[C@@H]2CC[N@H+](CCO)C2)C1 ZINC001028461268 656115002 /nfs/dbraw/zinc/11/50/02/656115002.db2.gz NIMKHFINKWSWSJ-NWDGAFQWSA-N 2 0 271.361 -1.253 20 0 CAADRP CN1C[C@H](O)C[C@]1(C)C(=O)NC[C@H]1C[C@@H](O)C[N@@H+]1C ZINC000924973722 656121208 /nfs/dbraw/zinc/12/12/08/656121208.db2.gz FNXFFUXASMJQNT-PRULPYPASA-N 2 0 271.361 -1.377 20 0 CAADRP CN1C[C@H](O)C[C@@]1(C)C(=O)NC[C@H]1C[C@@H](O)C[N@@H+]1C ZINC000924973723 656121756 /nfs/dbraw/zinc/12/17/56/656121756.db2.gz FNXFFUXASMJQNT-UZWSLXQKSA-N 2 0 271.361 -1.377 20 0 CAADRP C[N@H+](CCO)CCNC(=O)[C@]1(C)C[C@@H](O)C[NH+]1C ZINC000925004307 656123193 /nfs/dbraw/zinc/12/31/93/656123193.db2.gz VZFIHTAKKJYDJN-PWSUYJOCSA-N 2 0 259.350 -1.518 20 0 CAADRP C[N@@H+]1CC[C@H](C(=O)NC[C@H]2CC[NH+](CC(N)=O)C2)C1 ZINC001028985031 656123950 /nfs/dbraw/zinc/12/39/50/656123950.db2.gz HDBZKBICSQHZTD-MNOVXSKESA-N 2 0 268.361 -1.139 20 0 CAADRP C[NH+]1CC[C@H]1CNC(=O)COCC(=O)NC[C@@H]1CC[N@H+]1C ZINC000928563784 656127393 /nfs/dbraw/zinc/12/73/93/656127393.db2.gz RPMAHEHJPBQONW-RYUDHWBXSA-N 2 0 298.387 -1.356 20 0 CAADRP CN1CCO[C@@H](C(=O)N[C@@H]2CCC[N@H+](CCO)C2)C1 ZINC001007005929 656129838 /nfs/dbraw/zinc/12/98/38/656129838.db2.gz AAOLDGBCNLXSNY-VXGBXAGGSA-N 2 0 271.361 -1.110 20 0 CAADRP C[C@H]([NH2+]C1CCN(C(=O)[C@@H]2CN(C)CCO2)CC1)C(N)=O ZINC000990571534 656162391 /nfs/dbraw/zinc/16/23/91/656162391.db2.gz UQMWLKHBBSKRAT-JQWIXIFHSA-N 2 0 298.387 -1.229 20 0 CAADRP C[C@H]([NH2+]C1CCN(C(=O)[C@H]2CN(C)CCO2)CC1)C(N)=O ZINC000990571486 656162426 /nfs/dbraw/zinc/16/24/26/656162426.db2.gz UQMWLKHBBSKRAT-CMPLNLGQSA-N 2 0 298.387 -1.229 20 0 CAADRP CN1CCO[C@H](C(=O)N2CCC([NH2+]CCO)CC2)C1 ZINC000990571449 656162437 /nfs/dbraw/zinc/16/24/37/656162437.db2.gz UEMMSSVQTBHJJX-LBPRGKRZSA-N 2 0 271.361 -1.110 20 0 CAADRP O=S(=O)(N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)N1CC[NH2+]CC1 ZINC000903563832 656185021 /nfs/dbraw/zinc/18/50/21/656185021.db2.gz IWSLRVAKOHQNEP-KXUCPTDWSA-N 2 0 260.363 -1.381 20 0 CAADRP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)N(S(=O)(=O)N1CC[NH2+]CC1)C2 ZINC000903580412 656185156 /nfs/dbraw/zinc/18/51/56/656185156.db2.gz XJPRJNMDESHUGM-AXFHLTTASA-N 2 0 274.390 -1.052 20 0 CAADRP CC1(C)CN(S(=O)(=O)C[C@@H]2C[NH2+]CCO2)C[C@H]1[NH3+] ZINC000903587397 656185192 /nfs/dbraw/zinc/18/51/92/656185192.db2.gz UQWWLTLRGCNISG-VHSXEESVSA-N 2 0 277.390 -1.026 20 0 CAADRP C[C@@H]1C[NH2+]C[C@H]1NS(=O)(=O)C[C@H]1C[NH2+]CCO1 ZINC000903527414 656185280 /nfs/dbraw/zinc/18/52/80/656185280.db2.gz YPYPYFCUSQKABS-OPRDCNLKSA-N 2 0 263.363 -1.498 20 0 CAADRP CC1(C)C[NH2+]C[C@H]1NS(=O)(=O)C[C@H]1C[NH2+]CCO1 ZINC000903550726 656185302 /nfs/dbraw/zinc/18/53/02/656185302.db2.gz LJZWSVFTGUVSTJ-NXEZZACHSA-N 2 0 277.390 -1.108 20 0 CAADRP CC1(C)C[NH2+]C[C@@H]1NS(=O)(=O)C[C@@H]1C[NH2+]CCO1 ZINC000903550727 656185553 /nfs/dbraw/zinc/18/55/53/656185553.db2.gz LJZWSVFTGUVSTJ-UWVGGRQHSA-N 2 0 277.390 -1.108 20 0 CAADRP O=S(=O)(C[C@H]1C[NH2+]CCO1)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000903559570 656185658 /nfs/dbraw/zinc/18/56/58/656185658.db2.gz XQHZPEGCSBMWFV-LNFKQOIKSA-N 2 0 275.374 -1.213 20 0 CAADRP O=S(=O)(C[C@@H]1C[NH2+]CCO1)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000903563305 656185789 /nfs/dbraw/zinc/18/57/89/656185789.db2.gz XQHZPEGCSBMWFV-VPOLOUISSA-N 2 0 275.374 -1.213 20 0 CAADRP [NH3+]CCN(C[C@@H](O)CO)C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903767901 656186022 /nfs/dbraw/zinc/18/60/22/656186022.db2.gz JDIBZVVIGWVLRA-OLZOCXBDSA-N 2 0 287.404 -1.241 20 0 CAADRP CN(CC[NH+](C)C)C(=O)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000903719246 656186357 /nfs/dbraw/zinc/18/63/57/656186357.db2.gz JEUKMNXXDKHZQF-JTQLQIEISA-N 2 0 256.350 -1.044 20 0 CAADRP [NH3+]CCN(C[C@@H](O)C[NH+]1CCCC1)C[C@H](O)CO ZINC000903767512 656186380 /nfs/dbraw/zinc/18/63/80/656186380.db2.gz GPZKLUFDWZQFCY-RYUDHWBXSA-N 2 0 261.366 -1.943 20 0 CAADRP [NH3+]CCN(C[C@@H](O)CO)C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903767900 656186496 /nfs/dbraw/zinc/18/64/96/656186496.db2.gz JDIBZVVIGWVLRA-CHWSQXEVSA-N 2 0 287.404 -1.241 20 0 CAADRP [NH3+]CCN(C[C@@H](O)CO)C[C@@H](O)C[NH+]1CCCC1 ZINC000903767511 656186531 /nfs/dbraw/zinc/18/65/31/656186531.db2.gz GPZKLUFDWZQFCY-NWDGAFQWSA-N 2 0 261.366 -1.943 20 0 CAADRP O[C@@H](CN1CC[NH2+]CC[NH2+]CC1)C[NH+]1CCCC1 ZINC000903787661 656186799 /nfs/dbraw/zinc/18/67/99/656186799.db2.gz XYXSKJKJQLYPOV-CYBMUJFWSA-N 3 0 256.394 -1.062 20 0 CAADRP C[C@@](Cn1cccn1)([NH2+]CCN1CC[NH2+]CC1)C(N)=O ZINC000903829869 656187359 /nfs/dbraw/zinc/18/73/59/656187359.db2.gz MXTAFMBBPCGQFC-ZDUSSCGKSA-N 2 0 280.376 -1.378 20 0 CAADRP C[N@@H+]1C[C@@H]2CN(C(=O)C(=O)N3CC[C@@H]([NH3+])C3)C[C@]2(C)C1 ZINC000904955438 656188682 /nfs/dbraw/zinc/18/86/82/656188682.db2.gz CRPDDPWLOQKDID-GYSYKLTISA-N 2 0 280.372 -1.044 20 0 CAADRP CN(CC[NH3+])C(=O)C(=O)N1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000904961221 656188690 /nfs/dbraw/zinc/18/86/90/656188690.db2.gz NSTYTPIGFZMACC-GXFFZTMASA-N 2 0 268.361 -1.186 20 0 CAADRP CN(CC[NH3+])C(=O)C(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000904991949 656189458 /nfs/dbraw/zinc/18/94/58/656189458.db2.gz ZOZYSESCRNNGDJ-NEPJUHHUSA-N 2 0 298.387 -1.539 20 0 CAADRP [NH3+]C[C@@H]1CN(S(=O)(=O)CC2CC[NH2+]CC2)CCO1 ZINC000905341567 656191076 /nfs/dbraw/zinc/19/10/76/656191076.db2.gz AEGZMUNDFGLZAL-LLVKDONJSA-N 2 0 277.390 -1.025 20 0 CAADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)C1CN(C)CC[NH+](C)C1 ZINC000906649926 656193951 /nfs/dbraw/zinc/19/39/51/656193951.db2.gz IXOBLPOFAQBVRH-AWEZNQCLSA-N 2 0 297.447 -1.158 20 0 CAADRP CN1CC[N@H+](C)CC(C(=O)NC[C@@](C)(O)C[NH+](C)C)C1 ZINC000907114967 656195229 /nfs/dbraw/zinc/19/52/29/656195229.db2.gz HTZIODKBAAFJDW-CQSZACIVSA-N 2 0 286.420 -1.091 20 0 CAADRP CN1CC[N@H+](C)CC(C(=O)NC[C@](C)(O)C[NH+](C)C)C1 ZINC000907114966 656195654 /nfs/dbraw/zinc/19/56/54/656195654.db2.gz HTZIODKBAAFJDW-AWEZNQCLSA-N 2 0 286.420 -1.091 20 0 CAADRP CN1CC[N@H+](C)CC(C(=O)NC[C@@]2(O)CC[NH+](C)C2)C1 ZINC000907388536 656197916 /nfs/dbraw/zinc/19/79/16/656197916.db2.gz PEHQINMEUNDZPI-AWEZNQCLSA-N 2 0 284.404 -1.337 20 0 CAADRP CN1CC[N@H+](C)CC(C(=O)NC[C@]2(O)CC[NH+](C)C2)C1 ZINC000907388537 656198133 /nfs/dbraw/zinc/19/81/33/656198133.db2.gz PEHQINMEUNDZPI-CQSZACIVSA-N 2 0 284.404 -1.337 20 0 CAADRP C[N@@H+]1C[C@H](O)C[C@]1(C)C(=O)NC[C@@H]1C[NH+]2CCN1CCC2 ZINC000908026698 656205444 /nfs/dbraw/zinc/20/54/44/656205444.db2.gz BBPMOYUDHMGFOF-UMVBOHGHSA-N 2 0 296.415 -1.052 20 0 CAADRP C[NH+](C)C[C@@H](CO)NC(=O)C1C[NH+]([C@H]2CCOC2)C1 ZINC000908200440 656210333 /nfs/dbraw/zinc/21/03/33/656210333.db2.gz KAXHONKYKUZGEL-RYUDHWBXSA-N 2 0 271.361 -1.254 20 0 CAADRP C[NH+](C)C[C@H](CO)NC(=O)[C@@]1(C)C[C@@H](O)C[N@@H+]1C ZINC000908200319 656210476 /nfs/dbraw/zinc/21/04/76/656210476.db2.gz IRZHNNHGESSEJF-CKYFFXLPSA-N 2 0 259.350 -1.520 20 0 CAADRP C[NH+](C)C[C@@H](CO)NC(=O)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000908200439 656210509 /nfs/dbraw/zinc/21/05/09/656210509.db2.gz KAXHONKYKUZGEL-NWDGAFQWSA-N 2 0 271.361 -1.254 20 0 CAADRP CN1CC[N@H+](C)CC(C(=O)N[C@@H](CO)C[NH+](C)C)C1 ZINC000908201544 656210569 /nfs/dbraw/zinc/21/05/69/656210569.db2.gz QNRSSNHCVIBVMM-GFCCVEGCSA-N 2 0 272.393 -1.482 20 0 CAADRP C[NH+](C)C[C@H](CO)NC(=O)C1C[NH+]([C@H]2CCOC2)C1 ZINC000908200436 656210637 /nfs/dbraw/zinc/21/06/37/656210637.db2.gz KAXHONKYKUZGEL-NEPJUHHUSA-N 2 0 271.361 -1.254 20 0 CAADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000911033309 656232773 /nfs/dbraw/zinc/23/27/73/656232773.db2.gz ZPINXSKKKDLYPU-RYUDHWBXSA-N 2 0 297.403 -1.702 20 0 CAADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000911033308 656233145 /nfs/dbraw/zinc/23/31/45/656233145.db2.gz ZPINXSKKKDLYPU-NWDGAFQWSA-N 2 0 297.403 -1.702 20 0 CAADRP COC[C@H]1C[NH2+]CCN1C(=O)C(=O)NCC[N@H+](C)C1CC1 ZINC000911060331 656233623 /nfs/dbraw/zinc/23/36/23/656233623.db2.gz LANCQFLVJMEZIX-GFCCVEGCSA-N 2 0 298.387 -1.356 20 0 CAADRP C[C@H](CC[NH+](C)C)NC(=O)C(=O)N1CCNCC[NH2+]CC1 ZINC000911071663 656233665 /nfs/dbraw/zinc/23/36/65/656233665.db2.gz CEFVTZVCEQFWGO-GFCCVEGCSA-N 2 0 299.419 -1.536 20 0 CAADRP COCC[N@H+](C)CCNC(=O)C(=O)N1C[C@@H](C)[C@H]([NH3+])C1 ZINC000911155241 656236137 /nfs/dbraw/zinc/23/61/37/656236137.db2.gz HKEBXYJMQKHTES-GHMZBOCLSA-N 2 0 286.376 -1.514 20 0 CAADRP COCCC[N@H+](C)CCNC(=O)C(=O)NCC1([NH3+])CC1 ZINC000911176915 656236423 /nfs/dbraw/zinc/23/64/23/656236423.db2.gz QIUOCKKHUXCZPF-UHFFFAOYSA-N 2 0 286.376 -1.322 20 0 CAADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2C[C@@H](C)[C@H]([NH3+])C2)C1 ZINC000911243768 656237790 /nfs/dbraw/zinc/23/77/90/656237790.db2.gz ZWSUYWJSMGQLAI-IJLUTSLNSA-N 2 0 298.387 -1.371 20 0 CAADRP CC[NH+](CC)CCNC(=O)C(=O)N1CCNCC[NH2+]CC1 ZINC000911244493 656238858 /nfs/dbraw/zinc/23/88/58/656238858.db2.gz NWNWPXIOPIDKPZ-UHFFFAOYSA-N 2 0 299.419 -1.534 20 0 CAADRP C[NH+](C)CCOCCNC(=O)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000911257297 656239458 /nfs/dbraw/zinc/23/94/58/656239458.db2.gz GMBUWKPXNPZNMH-NSHDSACASA-N 2 0 286.376 -1.370 20 0 CAADRP C[C@@H]1CN(C(=O)C(=O)NCCOCC[NH+](C)C)C[C@H]1[NH3+] ZINC000911259220 656239588 /nfs/dbraw/zinc/23/95/88/656239588.db2.gz WEYWGLJROHQYHD-GHMZBOCLSA-N 2 0 286.376 -1.514 20 0 CAADRP CCO[C@@H](CNC(=O)C(=O)NCC[NH2+]C)C[NH+](C)C ZINC000911280461 656239737 /nfs/dbraw/zinc/23/97/37/656239737.db2.gz KASHEPPQXZOULX-JTQLQIEISA-N 2 0 274.365 -1.595 20 0 CAADRP C[NH2+]CCNC(=O)C(=O)N1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000911280851 656239949 /nfs/dbraw/zinc/23/99/49/656239949.db2.gz MFHITBHHKSHZTO-GXFFZTMASA-N 2 0 268.361 -1.268 20 0 CAADRP C[C@@H](C[NH3+])NC(=O)C(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC000911299041 656240143 /nfs/dbraw/zinc/24/01/43/656240143.db2.gz YZHQAGKMWNSFQB-QJPTWQEYSA-N 2 0 298.387 -1.493 20 0 CAADRP [NH3+]CCNC(=O)C(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC000911268069 656240191 /nfs/dbraw/zinc/24/01/91/656240191.db2.gz UILGPNIITOOFOL-WDEREUQCSA-N 2 0 284.360 -1.881 20 0 CAADRP [NH3+]CCNC(=O)C(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC000911268056 656240213 /nfs/dbraw/zinc/24/02/13/656240213.db2.gz UILGPNIITOOFOL-GHMZBOCLSA-N 2 0 284.360 -1.881 20 0 CAADRP C[C@@H](C[NH3+])NC(=O)C(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000911299046 656240239 /nfs/dbraw/zinc/24/02/39/656240239.db2.gz YZHQAGKMWNSFQB-TUAOUCFPSA-N 2 0 298.387 -1.493 20 0 CAADRP C[C@H](C[NH3+])NC(=O)C(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000911299048 656240285 /nfs/dbraw/zinc/24/02/85/656240285.db2.gz YZHQAGKMWNSFQB-UTUOFQBUSA-N 2 0 298.387 -1.493 20 0 CAADRP C[C@H](C[NH3+])NC(=O)C(=O)N1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000911293806 656240303 /nfs/dbraw/zinc/24/03/03/656240303.db2.gz DZRGESNZVRYFAS-GBIKHYSHSA-N 2 0 268.361 -1.140 20 0 CAADRP C[C@@H](C[NH3+])NC(=O)C(=O)N1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000911293810 656240492 /nfs/dbraw/zinc/24/04/92/656240492.db2.gz DZRGESNZVRYFAS-OUJBWJOFSA-N 2 0 268.361 -1.140 20 0 CAADRP CCO[C@@H](CNC(=O)C(=O)N[C@@H](C)CC[NH3+])C[NH+](C)C ZINC000911298735 656240714 /nfs/dbraw/zinc/24/07/14/656240714.db2.gz VTDCILJRKNPVAX-QWRGUYRKSA-N 2 0 288.392 -1.077 20 0 CAADRP C[C@H](C[NH3+])NC(=O)C(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000911299050 656240718 /nfs/dbraw/zinc/24/07/18/656240718.db2.gz YZHQAGKMWNSFQB-WOPDTQHZSA-N 2 0 298.387 -1.493 20 0 CAADRP C[C@H]([NH3+])CNC(=O)C(=O)N1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000911284016 656240854 /nfs/dbraw/zinc/24/08/54/656240854.db2.gz YLUVNAJGRCGNGR-OUJBWJOFSA-N 2 0 268.361 -1.140 20 0 CAADRP C[C@@H]([NH3+])CNC(=O)C(=O)N1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000911284015 656241048 /nfs/dbraw/zinc/24/10/48/656241048.db2.gz YLUVNAJGRCGNGR-GBIKHYSHSA-N 2 0 268.361 -1.140 20 0 CAADRP CCO[C@@H](CNC(=O)C(=O)NC[C@@H](C)[NH3+])C[NH+](C)C ZINC000911282260 656241111 /nfs/dbraw/zinc/24/11/11/656241111.db2.gz SGVSXVGMHUQRGX-ZJUUUORDSA-N 2 0 274.365 -1.467 20 0 CAADRP O=C(NC1C[NH2+]C1)C(=O)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC000911289060 656241713 /nfs/dbraw/zinc/24/17/13/656241713.db2.gz YGFBAYVIFFTBPF-NWDGAFQWSA-N 2 0 296.371 -1.868 20 0 CAADRP O=C(NC1C[NH2+]C1)C(=O)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC000911289062 656241774 /nfs/dbraw/zinc/24/17/74/656241774.db2.gz YGFBAYVIFFTBPF-RYUDHWBXSA-N 2 0 296.371 -1.868 20 0 CAADRP O=C(NC1C[NH2+]C1)C(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC000911289057 656241858 /nfs/dbraw/zinc/24/18/58/656241858.db2.gz YGFBAYVIFFTBPF-NEPJUHHUSA-N 2 0 296.371 -1.868 20 0 CAADRP O=C(NC1C[NH2+]C1)C(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC000911289065 656241877 /nfs/dbraw/zinc/24/18/77/656241877.db2.gz YGFBAYVIFFTBPF-VXGBXAGGSA-N 2 0 296.371 -1.868 20 0 CAADRP CCO[C@@H](CNC(=O)C(=O)N[C@H](C)C[NH2+]C)C[NH+](C)C ZINC000911338315 656242157 /nfs/dbraw/zinc/24/21/57/656242157.db2.gz JIPINIWGIQQWPP-MNOVXSKESA-N 2 0 288.392 -1.207 20 0 CAADRP C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000911367874 656242654 /nfs/dbraw/zinc/24/26/54/656242654.db2.gz RYYRKNDENSLSSC-WRWGMCAJSA-N 2 0 296.371 -2.012 20 0 CAADRP C[C@@H]1C[NH2+]C[C@H]1CNC(=O)C(=O)N(C)CC[NH+](C)C ZINC000911381439 656242724 /nfs/dbraw/zinc/24/27/24/656242724.db2.gz WYPZQWBIQUBASM-MNOVXSKESA-N 2 0 270.377 -1.022 20 0 CAADRP CCO[C@@H](CNC(=O)C(=O)N(C)C[C@@H](C)[NH3+])C[NH+](C)C ZINC000911434382 656243441 /nfs/dbraw/zinc/24/34/41/656243441.db2.gz HQXIZODMCYATLD-MNOVXSKESA-N 2 0 288.392 -1.125 20 0 CAADRP CN(CC[NH+](C)C)C(=O)C(=O)NCCN1CCC([NH3+])CC1 ZINC000911411234 656243630 /nfs/dbraw/zinc/24/36/30/656243630.db2.gz HHFUKFZPIPSXSS-UHFFFAOYSA-N 2 0 299.419 -1.454 20 0 CAADRP CCO[C@@H](CNC(=O)C(=O)N(C)[C@H](C)C[NH3+])C[NH+](C)C ZINC000911435851 656243977 /nfs/dbraw/zinc/24/39/77/656243977.db2.gz QGOSQUOGHQDWGO-MNOVXSKESA-N 2 0 288.392 -1.125 20 0 CAADRP CCO[C@@H](CNC(=O)C(=O)N1CC[C@@H]([NH3+])C1)C[NH+](C)C ZINC000911435288 656244010 /nfs/dbraw/zinc/24/40/10/656244010.db2.gz LDAJIZQDQMFDJY-MNOVXSKESA-N 2 0 286.376 -1.371 20 0 CAADRP CCO[C@H](CNC(=O)C(=O)N1CC[C@@H]([NH3+])C1)C[NH+](C)C ZINC000911435286 656244061 /nfs/dbraw/zinc/24/40/61/656244061.db2.gz LDAJIZQDQMFDJY-GHMZBOCLSA-N 2 0 286.376 -1.371 20 0 CAADRP [NH3+]C1(CNC(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)CC1 ZINC000911506349 656249033 /nfs/dbraw/zinc/24/90/33/656249033.db2.gz LGSHDQCIKZTLRV-VHSXEESVSA-N 2 0 282.344 -2.129 20 0 CAADRP O=C(C[C@@]1(O)CCC[NH2+]C1)NCCCN1CC[NH2+]CC1 ZINC000911628067 656251631 /nfs/dbraw/zinc/25/16/31/656251631.db2.gz HOJIMWKAESLGRB-AWEZNQCLSA-N 2 0 284.404 -1.098 20 0 CAADRP [NH3+]CCN1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1=O ZINC000911647312 656251786 /nfs/dbraw/zinc/25/17/86/656251786.db2.gz ZNISUCJIQPUMNS-JTQLQIEISA-N 2 0 254.334 -1.385 20 0 CAADRP [NH3+]CCN1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1=O ZINC000911647313 656251920 /nfs/dbraw/zinc/25/19/20/656251920.db2.gz ZNISUCJIQPUMNS-SNVBAGLBSA-N 2 0 254.334 -1.385 20 0 CAADRP [NH3+]CCN1CCC[C@H](C(=O)NCCN2CC[NH2+]CC2)C1=O ZINC000911694455 656252385 /nfs/dbraw/zinc/25/23/85/656252385.db2.gz ZAYYOXCFJVSSHB-GFCCVEGCSA-N 2 0 297.403 -1.795 20 0 CAADRP CC(C)[C@H]([NH3+])C(=O)NCCC(=O)NCCN1CC[NH2+]CC1 ZINC000911694716 656252436 /nfs/dbraw/zinc/25/24/36/656252436.db2.gz BLNLBZSZQGXJHR-ZDUSSCGKSA-N 2 0 299.419 -1.503 20 0 CAADRP CC(C)[C@@H]([NH3+])C(=O)NCCC(=O)N[C@H]1CC[NH2+]C1 ZINC000911696938 656252448 /nfs/dbraw/zinc/25/24/48/656252448.db2.gz YBPHZUQTDVJFRN-GXSJLCMTSA-N 2 0 256.350 -1.046 20 0 CAADRP O=C(NCCN1CC[NH2+]CC1)C1=NO[C@]2(C1)CCC[NH2+]C2 ZINC000911696242 656252470 /nfs/dbraw/zinc/25/24/70/656252470.db2.gz UHQQLWLDMPVVGU-AWEZNQCLSA-N 2 0 295.387 -1.094 20 0 CAADRP O=C(CNC(=O)C12CCC(CC1)[NH2+]2)N1CC[NH2+]CC1 ZINC000911702492 656252747 /nfs/dbraw/zinc/25/27/47/656252747.db2.gz LJPAUGPSYKXPIA-UHFFFAOYSA-N 2 0 266.345 -1.181 20 0 CAADRP O=C(CNC(=O)[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)N1CC[NH2+]CC1 ZINC000911702164 656252943 /nfs/dbraw/zinc/25/29/43/656252943.db2.gz JSUFZWXZJMPCGR-HBNTYKKESA-N 2 0 266.345 -1.325 20 0 CAADRP O=C(CNC(=O)[C@]12C[NH2+]C[C@H]1CCOC2)N1CC[NH2+]CC1 ZINC000911702123 656252979 /nfs/dbraw/zinc/25/29/79/656252979.db2.gz ISOBUJUEEAPKDI-RISCZKNCSA-N 2 0 296.371 -1.840 20 0 CAADRP C[NH2+]C1CC(C(=O)NCC(=O)N2CC[NH2+]CC2)C1 ZINC000911702888 656253093 /nfs/dbraw/zinc/25/30/93/656253093.db2.gz RIDZQMOIHSMOFG-UHFFFAOYSA-N 2 0 254.334 -1.468 20 0 CAADRP C[C@H](C[NH3+])N(C)C(=O)[C@@H]1CCCN(CC[NH3+])C1=O ZINC000911814550 656253495 /nfs/dbraw/zinc/25/34/95/656253495.db2.gz SZUXXSBIVQYQKJ-ZJUUUORDSA-N 2 0 256.350 -1.011 20 0 CAADRP CN(CCN1CC[NH2+]CC1)C(=O)[C@@H]1C[NH2+]CCN1C ZINC000911774042 656253747 /nfs/dbraw/zinc/25/37/47/656253747.db2.gz GQZZXFBSDLDMJO-LBPRGKRZSA-N 2 0 269.393 -1.746 20 0 CAADRP CN1CCN(C(=O)C[C@]2(O)CCC[NH2+]C2)[C@@H](C[NH3+])C1 ZINC000911874658 656253895 /nfs/dbraw/zinc/25/38/95/656253895.db2.gz COQDDWIGOZDGML-WCQYABFASA-N 2 0 270.377 -1.408 20 0 CAADRP CN1CCN(C(=O)C2=NOC3(C2)CC[NH2+]CC3)[C@H](C[NH3+])C1 ZINC000911875001 656255055 /nfs/dbraw/zinc/25/50/55/656255055.db2.gz HZLMZVUUONIDKC-LLVKDONJSA-N 2 0 295.387 -1.014 20 0 CAADRP CN1CCN(C(=O)C2=NO[C@@]3(C2)CCC[NH2+]C3)[C@@H](C[NH3+])C1 ZINC000911875816 656255067 /nfs/dbraw/zinc/25/50/67/656255067.db2.gz UTSCBNYNHIVDBG-SMDDNHRTSA-N 2 0 295.387 -1.014 20 0 CAADRP C[C@H]([NH3+])[C@H]1CN(C(=O)[C@H]2C[NH2+]CCN2C)CCO1 ZINC000911882245 656255219 /nfs/dbraw/zinc/25/52/19/656255219.db2.gz UIKDDWUIWRHHNL-HBNTYKKESA-N 2 0 256.350 -1.535 20 0 CAADRP CN1CCN(C(=O)[C@H]2[C@@H]3CC[NH2+]C[C@@H]32)[C@@H](C[NH3+])C1 ZINC000911875969 656255229 /nfs/dbraw/zinc/25/52/29/656255229.db2.gz VMBKLPRWQPPEOQ-USZNOCQGSA-N 2 0 252.362 -1.057 20 0 CAADRP CN1CCN(C(=O)C2=NO[C@@]3(C2)CCC[NH2+]C3)[C@H](C[NH3+])C1 ZINC000911875813 656255231 /nfs/dbraw/zinc/25/52/31/656255231.db2.gz UTSCBNYNHIVDBG-BXUZGUMPSA-N 2 0 295.387 -1.014 20 0 CAADRP CN(CC[N@H+](C)CCO)C(=O)[C@]1(C)C[C@@H](O)C[NH+]1C ZINC000912601011 656261812 /nfs/dbraw/zinc/26/18/12/656261812.db2.gz SJLXFTFQMOUDIP-YPMHNXCESA-N 2 0 273.377 -1.176 20 0 CAADRP CN(CC[N@H+](C)CCO)C(=O)[C@]1(C)C[C@H](O)C[NH+]1C ZINC000912600997 656262858 /nfs/dbraw/zinc/26/28/58/656262858.db2.gz SJLXFTFQMOUDIP-AAEUAGOBSA-N 2 0 273.377 -1.176 20 0 CAADRP COCC[N@H+](C)C[C@@H](O)CN1CCO[C@@H](C[NH3+])C1 ZINC000311133897 656281116 /nfs/dbraw/zinc/28/11/16/656281116.db2.gz JZUJDWOVDMKVDH-NEPJUHHUSA-N 2 0 261.366 -1.415 20 0 CAADRP C[C@H](C(=O)NC[C@H](CO)NC(=O)[C@@H](C)[NH+](C)C)[NH+](C)C ZINC000913919676 656341422 /nfs/dbraw/zinc/34/14/22/656341422.db2.gz VUOSELUACAZBEI-GMTAPVOTSA-N 2 0 288.392 -1.520 20 0 CAADRP C[C@@H](C(=O)NC[C@H](CO)NC(=O)[C@H](C)[NH+](C)C)[NH+](C)C ZINC000913917116 656341708 /nfs/dbraw/zinc/34/17/08/656341708.db2.gz VUOSELUACAZBEI-GARJFASQSA-N 2 0 288.392 -1.520 20 0 CAADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C[C@H](O)CO)CC1 ZINC000929848637 656353871 /nfs/dbraw/zinc/35/38/71/656353871.db2.gz OWVKBVIGGXRJDV-RYUDHWBXSA-N 2 0 271.361 -1.422 20 0 CAADRP NC(=O)CN1CC(CNC(=O)[C@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC001031689631 656382771 /nfs/dbraw/zinc/38/27/71/656382771.db2.gz XWFJWSWZHDLNCW-NWDGAFQWSA-N 2 0 296.371 -1.617 20 0 CAADRP O=C(NCC1C[NH+](CCO)C1)[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001031688276 656382855 /nfs/dbraw/zinc/38/28/55/656382855.db2.gz CDPMKRIXJZLFFR-STQMWFEESA-N 2 0 283.372 -1.110 20 0 CAADRP O=C(NCC1C[NH+](CCO)C1)[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001031688275 656383067 /nfs/dbraw/zinc/38/30/67/656383067.db2.gz CDPMKRIXJZLFFR-QWHCGFSZSA-N 2 0 283.372 -1.110 20 0 CAADRP O=C(NCC1C[NH+](CCO)C1)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001031688273 656383439 /nfs/dbraw/zinc/38/34/39/656383439.db2.gz CDPMKRIXJZLFFR-CHWSQXEVSA-N 2 0 283.372 -1.110 20 0 CAADRP O=C(NCC1C[NH+](CCO)C1)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001031688274 656383460 /nfs/dbraw/zinc/38/34/60/656383460.db2.gz CDPMKRIXJZLFFR-OLZOCXBDSA-N 2 0 283.372 -1.110 20 0 CAADRP C[NH+](C)CCNC(=O)[C@@H]1C[C@@H]1C(=O)NCC[NH+](C)C ZINC000242879566 656402603 /nfs/dbraw/zinc/40/26/03/656402603.db2.gz GKZHVPOBAQNFKU-PHIMTYICSA-N 2 0 270.377 -1.022 20 0 CAADRP CN1CCO[C@@H](C(=O)NCC2CC[NH+](CC(N)=O)CC2)C1 ZINC001001278245 656620727 /nfs/dbraw/zinc/62/07/27/656620727.db2.gz JQBIFJLNBGOJCJ-GFCCVEGCSA-N 2 0 298.387 -1.370 20 0 CAADRP C[N@@H+]1C[C@@H]2CN(C(=O)C(=O)N3CC[NH2+]CC3)C[C@]2(C)C1 ZINC000702401056 656739233 /nfs/dbraw/zinc/73/92/33/656739233.db2.gz SCEBXVDVZOFJKP-RISCZKNCSA-N 2 0 280.372 -1.172 20 0 CAADRP CC1(C)C[NH2+]CCN1S(=O)(=O)N1CC[NH2+]CC1 ZINC000923574591 656807286 /nfs/dbraw/zinc/80/72/86/656807286.db2.gz UXPSBMIDEBPUAO-UHFFFAOYSA-N 2 0 262.379 -1.180 20 0 CAADRP COC[C@]1(C(=O)N2CCC[NH2+]CC2)C[NH2+]CCO1 ZINC000710829832 656797793 /nfs/dbraw/zinc/79/77/93/656797793.db2.gz PBZDKJDLWZANMS-LBPRGKRZSA-N 2 0 257.334 -1.187 20 0 CAADRP COC[C@@]1(C(=O)N2CCC[NH2+]CC2)C[NH2+]CCO1 ZINC000710829831 656798319 /nfs/dbraw/zinc/79/83/19/656798319.db2.gz PBZDKJDLWZANMS-GFCCVEGCSA-N 2 0 257.334 -1.187 20 0 CAADRP C[C@H]1[NH2+]CCC[C@H]1NS(=O)(=O)N1CC[NH2+]CC1 ZINC000923639339 656811702 /nfs/dbraw/zinc/81/17/02/656811702.db2.gz LGYIOPPQTNMBJK-NXEZZACHSA-N 2 0 262.379 -1.134 20 0 CAADRP C[C@@H]1C[C@H](NS(=O)(=O)N2CC[NH2+]CC2)CC[NH2+]1 ZINC000923635838 656811710 /nfs/dbraw/zinc/81/17/10/656811710.db2.gz IFZVQGMXAIOVSJ-NXEZZACHSA-N 2 0 262.379 -1.134 20 0 CAADRP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@@H+]2CCC[C@H](N3CCNCC3=O)C2)C1 ZINC000923334340 656802561 /nfs/dbraw/zinc/80/25/61/656802561.db2.gz WNDNODNBLSXNKI-CYDGBPFRSA-N 3 0 282.388 -1.267 20 0 CAADRP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)C1 ZINC000923281894 656802856 /nfs/dbraw/zinc/80/28/56/656802856.db2.gz IUUOHJGTUFVVHK-XUXIUFHCSA-N 2 0 296.415 -1.019 20 0 CAADRP [NH3+]C[C@@H]1CN(S(=O)(=O)[C@H]2CCC[NH2+]C2)CCO1 ZINC000923636465 656811729 /nfs/dbraw/zinc/81/17/29/656811729.db2.gz ZNMBICMRGZIRPP-ZJUUUORDSA-N 2 0 263.363 -1.272 20 0 CAADRP CNS(=O)(=O)C[C@@H]1CCCN1[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923315400 656803219 /nfs/dbraw/zinc/80/32/19/656803219.db2.gz VIRPEYAINOKKIZ-NAKRPEOUSA-N 2 0 277.390 -1.149 20 0 CAADRP O=C(CCN1CCC[C@@H]([NH2+]CCO)C1)N1CC[NH2+]CC1 ZINC000923407520 656803577 /nfs/dbraw/zinc/80/35/77/656803577.db2.gz ZCIOMOPZQNOAOQ-CYBMUJFWSA-N 2 0 284.404 -1.145 20 0 CAADRP COCC[N@H+](C)C[C@@H](O)CN1CCO[C@@H]2C[NH2+]C[C@@H]21 ZINC000923381757 656804218 /nfs/dbraw/zinc/80/42/18/656804218.db2.gz WNHCYSXVSYHRCT-FRRDWIJNSA-N 2 0 273.377 -1.402 20 0 CAADRP C[C@H]1C[C@H]([NH3+])CCN1S(=O)(=O)N1CC[NH2+]CC1 ZINC000923651983 656812196 /nfs/dbraw/zinc/81/21/96/656812196.db2.gz JZPAXQBBWUUQDH-VHSXEESVSA-N 2 0 262.379 -1.052 20 0 CAADRP CN(C)S(=O)(=O)CCCN1CC[NH2+]CC[NH2+]CC1 ZINC000923461147 656804809 /nfs/dbraw/zinc/80/48/09/656804809.db2.gz MMOKLQLKHZZXIG-UHFFFAOYSA-N 2 0 278.422 -1.237 20 0 CAADRP COCC[N@H+](C)C[C@H](O)CN1CCC[C@@]([NH3+])(CO)C1 ZINC000923474165 656804944 /nfs/dbraw/zinc/80/49/44/656804944.db2.gz WQVYFTWMAOSWIQ-STQMWFEESA-N 2 0 275.393 -1.289 20 0 CAADRP COCC[N@H+](C)C[C@@H](O)CN1CCC[C@]([NH3+])(CO)C1 ZINC000923474162 656804996 /nfs/dbraw/zinc/80/49/96/656804996.db2.gz WQVYFTWMAOSWIQ-CHWSQXEVSA-N 2 0 275.393 -1.289 20 0 CAADRP O=S(=O)(NC[C@H]1C[NH2+]CCO1)N1CC[NH2+]CC1 ZINC000923648150 656812228 /nfs/dbraw/zinc/81/22/28/656812228.db2.gz QXKRXLDICINSGI-SECBINFHSA-N 2 0 264.351 -2.286 20 0 CAADRP [NH3+][C@@H]1CC[C@H](C[N@@H+]2CCN3[C@@H](CNS3(=O)=O)C2)C1 ZINC000923548889 656806082 /nfs/dbraw/zinc/80/60/82/656806082.db2.gz BLGJRRMGIOQIAY-AXFHLTTASA-N 2 0 274.390 -1.052 20 0 CAADRP [NH3+]CC[C@@H]1CC[N@H+](CC(=O)N2CCNC(=O)C2)C1 ZINC000923487791 656806116 /nfs/dbraw/zinc/80/61/16/656806116.db2.gz NUPAXSUFMZCLGE-SNVBAGLBSA-N 2 0 254.334 -1.385 20 0 CAADRP O=S1(=O)NC[C@@H]2C[N@H+](CC[C@@H]3CC[NH2+]C3)CCN21 ZINC000923549209 656806132 /nfs/dbraw/zinc/80/61/32/656806132.db2.gz GHBRPDRTOUKBQU-WDEREUQCSA-N 2 0 274.390 -1.180 20 0 CAADRP C[C@@H]1C[N@H+](CC(=O)N2CCNC(=O)C2)CC[C@@H]1C[NH3+] ZINC000923500114 656806246 /nfs/dbraw/zinc/80/62/46/656806246.db2.gz ODBSVEIBVAPENY-GHMZBOCLSA-N 2 0 268.361 -1.139 20 0 CAADRP C[C@@H]([NH3+])[C@H]1CN(S(=O)(=O)N2CC[NH2+]CC2)CCO1 ZINC000923576410 656806745 /nfs/dbraw/zinc/80/67/45/656806745.db2.gz IKGHSYWBLCFGEK-NXEZZACHSA-N 2 0 278.378 -1.816 20 0 CAADRP C[C@H]1CN(S(=O)(=O)N2CC[NH2+]CC2)CC[C@@H]1[NH3+] ZINC000923568167 656806859 /nfs/dbraw/zinc/80/68/59/656806859.db2.gz FNUAUSOYEQDNFK-UWVGGRQHSA-N 2 0 262.379 -1.195 20 0 CAADRP CC(C)[C@@H]([NH3+])CNS(=O)(=O)N1CC[NH2+]CC1 ZINC000923572664 656806992 /nfs/dbraw/zinc/80/69/92/656806992.db2.gz KOKYKHNGLRLTRL-VIFPVBQESA-N 2 0 250.368 -1.291 20 0 CAADRP CN1CCN(S(=O)(=O)[C@H]2CCC[NH2+]C2)[C@@H](C[NH3+])C1 ZINC000923577790 656806996 /nfs/dbraw/zinc/80/69/96/656806996.db2.gz VPHMQBVLEVRFPZ-QWRGUYRKSA-N 2 0 276.406 -1.357 20 0 CAADRP CN1CCN(S(=O)(=O)N2CC[NH2+]CC2)[C@H](C[NH3+])C1 ZINC000923578044 656807230 /nfs/dbraw/zinc/80/72/30/656807230.db2.gz XBXXTJOWECWRHY-SNVBAGLBSA-N 2 0 277.394 -2.289 20 0 CAADRP [NH3+]C[C@H]1CCCN(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000923564650 656807355 /nfs/dbraw/zinc/80/73/55/656807355.db2.gz AWUFHKGAUUQYMP-SNVBAGLBSA-N 2 0 262.379 -1.193 20 0 CAADRP C[C@H](CN1CC[NH+](C)CC1)NS(=O)(=O)C1C[NH2+]C1 ZINC000923606681 656809745 /nfs/dbraw/zinc/80/97/45/656809745.db2.gz MVXSMEUCVGJWLO-SNVBAGLBSA-N 2 0 276.406 -1.487 20 0 CAADRP C[C@@H](CN1CC[NH+](C)CC1)NS(=O)(=O)C1C[NH2+]C1 ZINC000923606680 656809964 /nfs/dbraw/zinc/80/99/64/656809964.db2.gz MVXSMEUCVGJWLO-JTQLQIEISA-N 2 0 276.406 -1.487 20 0 CAADRP C[C@@H](CNS(=O)(=O)C1C[NH2+]C1)N1CC[NH+](C)CC1 ZINC000923616524 656810293 /nfs/dbraw/zinc/81/02/93/656810293.db2.gz JJSLDJNAJVZZTJ-JTQLQIEISA-N 2 0 276.406 -1.487 20 0 CAADRP C[C@@H](O)CN1CCN(S(=O)(=O)C2C[NH2+]C2)C[C@H]1C ZINC000923620628 656810390 /nfs/dbraw/zinc/81/03/90/656810390.db2.gz KGNCYWDLHAGBJE-NXEZZACHSA-N 2 0 277.390 -1.325 20 0 CAADRP O=S(=O)(C1C[NH2+]C1)N1CC[C@H](CN2CCOCC2)C1 ZINC000923621674 656810409 /nfs/dbraw/zinc/81/04/09/656810409.db2.gz XRSWESREJWRQST-LLVKDONJSA-N 2 0 289.401 -1.058 20 0 CAADRP O=S(=O)(C1C[NH2+]C1)N1CCN(C[C@H]2CCOC2)CC1 ZINC000923624428 656810423 /nfs/dbraw/zinc/81/04/23/656810423.db2.gz FEXPSJJQFYPEST-LLVKDONJSA-N 2 0 289.401 -1.058 20 0 CAADRP COCCC[N@H+](C)CCNS(=O)(=O)N1CC[NH2+]CC1 ZINC000923620712 656810601 /nfs/dbraw/zinc/81/06/01/656810601.db2.gz YETTWDQQWVGSMF-UHFFFAOYSA-N 2 0 294.421 -1.306 20 0 CAADRP O=S(=O)(C1C[NH2+]C1)N1CC[C@@H](CN2CCOCC2)C1 ZINC000923621676 656810663 /nfs/dbraw/zinc/81/06/63/656810663.db2.gz XRSWESREJWRQST-NSHDSACASA-N 2 0 289.401 -1.058 20 0 CAADRP O=S(=O)(C1C[NH2+]C1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000923643837 656811296 /nfs/dbraw/zinc/81/12/96/656811296.db2.gz MWXGPWXNVUMOST-JTQLQIEISA-N 2 0 274.390 -1.733 20 0 CAADRP C[C@@H]([NH3+])[C@@H]1CCN(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000923637628 656811308 /nfs/dbraw/zinc/81/13/08/656811308.db2.gz RMIIOINGRJTAJK-NXEZZACHSA-N 2 0 262.379 -1.195 20 0 CAADRP O=S(=O)(N[C@H]1CC12CC[NH2+]CC2)N1CC[NH2+]CC1 ZINC000923641474 656811348 /nfs/dbraw/zinc/81/13/48/656811348.db2.gz UUHZXXFQRDPYCK-JTQLQIEISA-N 2 0 274.390 -1.132 20 0 CAADRP C[C@H]1CC[NH2+]C[C@H]1NS(=O)(=O)N1CC[NH2+]CC1 ZINC000923639046 656811457 /nfs/dbraw/zinc/81/14/57/656811457.db2.gz WIAQRBJOBBWQOU-VHSXEESVSA-N 2 0 262.379 -1.276 20 0 CAADRP C[C@@H]1C[NH2+]CC[C@H]1NS(=O)(=O)N1CC[NH2+]CC1 ZINC000923640085 656811546 /nfs/dbraw/zinc/81/15/46/656811546.db2.gz XPBUJSSQXLJGQV-NXEZZACHSA-N 2 0 262.379 -1.276 20 0 CAADRP [NH3+][C@@H]1CC[C@@H]2CN(S(=O)(=O)N3CC[NH2+]CC3)C[C@H]12 ZINC000923635621 656811623 /nfs/dbraw/zinc/81/16/23/656811623.db2.gz OIOBDEKXJQETDW-OUAUKWLOSA-N 2 0 274.390 -1.195 20 0 CAADRP O=S(=O)(NCCC[NH2+]C1CC1)N1CC[NH2+]CC1 ZINC000923640534 656811877 /nfs/dbraw/zinc/81/18/77/656811877.db2.gz FMZMPQMAAPVTRU-UHFFFAOYSA-N 2 0 262.379 -1.132 20 0 CAADRP C[C@@H]([NH3+])[C@H]1CCN(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000923637633 656811961 /nfs/dbraw/zinc/81/19/61/656811961.db2.gz RMIIOINGRJTAJK-ZJUUUORDSA-N 2 0 262.379 -1.195 20 0 CAADRP C[C@H]1[NH2+]CCN(S(=O)(=O)N2CC[NH2+]CC2)[C@@H]1C ZINC000923639247 656812007 /nfs/dbraw/zinc/81/20/07/656812007.db2.gz INLJRTSLRZKGEU-NXEZZACHSA-N 2 0 262.379 -1.181 20 0 CAADRP [NH3+]C1(CNS(=O)(=O)N2CC[NH2+]CC2)CCCC1 ZINC000923654073 656812238 /nfs/dbraw/zinc/81/22/38/656812238.db2.gz FCSNPIQQRLZCCT-UHFFFAOYSA-N 2 0 262.379 -1.003 20 0 CAADRP [NH3+]C[C@@H]1CN(S(=O)(=O)N2CC[NH2+]CC2)CCCO1 ZINC000923648149 656812255 /nfs/dbraw/zinc/81/22/55/656812255.db2.gz QVHYMEFLBJIXLS-SNVBAGLBSA-N 2 0 278.378 -1.814 20 0 CAADRP COCC1(CNS(=O)(=O)C2C[NH2+]C2)CC[NH2+]CC1 ZINC000923647554 656812359 /nfs/dbraw/zinc/81/23/59/656812359.db2.gz ZUVCVHIJIPRMIC-UHFFFAOYSA-N 2 0 277.390 -1.106 20 0 CAADRP O=S(=O)(NC[C@H]1C[NH2+]CCCO1)N1CC[NH2+]CC1 ZINC000923644501 656812395 /nfs/dbraw/zinc/81/23/95/656812395.db2.gz IDQWWGQGQXOYEL-SNVBAGLBSA-N 2 0 278.378 -1.896 20 0 CAADRP O=S(=O)([C@@H]1CCC[NH2+]C1)N1CCO[C@@H]2C[NH2+]C[C@@H]21 ZINC000923649535 656812401 /nfs/dbraw/zinc/81/24/01/656812401.db2.gz VVOURBCLYXHFLV-OUAUKWLOSA-N 2 0 275.374 -1.259 20 0 CAADRP [NH3+][C@@H]1CCCC[C@H]1NS(=O)(=O)N1CC[NH2+]CC1 ZINC000923650239 656812620 /nfs/dbraw/zinc/81/26/20/656812620.db2.gz KSCRSTFMHIKHPG-NXEZZACHSA-N 2 0 262.379 -1.004 20 0 CAADRP O=S(=O)(NC[C@@H]1C[NH2+]CCO1)[C@@H]1CCC[NH2+]C1 ZINC000923648146 656812669 /nfs/dbraw/zinc/81/26/69/656812669.db2.gz QQOATTYXCREPER-VHSXEESVSA-N 2 0 263.363 -1.354 20 0 CAADRP CC(C)(CC[NH3+])NS(=O)(=O)N1CC[NH2+]CC1 ZINC000923648921 656812684 /nfs/dbraw/zinc/81/26/84/656812684.db2.gz JWKQEDAWXDZSCT-UHFFFAOYSA-N 2 0 250.368 -1.147 20 0 CAADRP Cn1cc([C@@H]2CN(S(=O)(=O)C3C[NH2+]C3)C[C@H]2[NH3+])cn1 ZINC000923651731 656812730 /nfs/dbraw/zinc/81/27/30/656812730.db2.gz XKQLNQVICFBJII-WDEREUQCSA-N 2 0 285.373 -1.552 20 0 CAADRP C[C@@H]1C[C@H]([NH3+])CCN1S(=O)(=O)N1CC[NH2+]CC1 ZINC000923651981 656812766 /nfs/dbraw/zinc/81/27/66/656812766.db2.gz JZPAXQBBWUUQDH-NXEZZACHSA-N 2 0 262.379 -1.052 20 0 CAADRP [NH3+][C@]12CCC[C@H]1CN(S(=O)(=O)N1CC[NH2+]CC1)C2 ZINC000923659629 656812999 /nfs/dbraw/zinc/81/29/99/656812999.db2.gz OOEOFGUSCOWIMG-QWRGUYRKSA-N 2 0 274.390 -1.050 20 0 CAADRP C[C@H]1CN(S(=O)(=O)N2CC[NH2+]CC2)C[C@H]1C[NH3+] ZINC000923667051 656813040 /nfs/dbraw/zinc/81/30/40/656813040.db2.gz RGJKCGJXYYYRSC-VHSXEESVSA-N 2 0 262.379 -1.337 20 0 CAADRP [NH3+][C@@]12CCC[C@H]1CN(S(=O)(=O)N1CC[NH2+]CC1)C2 ZINC000923659630 656813050 /nfs/dbraw/zinc/81/30/50/656813050.db2.gz OOEOFGUSCOWIMG-WDEREUQCSA-N 2 0 274.390 -1.050 20 0 CAADRP CN([C@@H](C[NH3+])C(F)(F)F)S(=O)(=O)N1CC[NH2+]CC1 ZINC000923659136 656813067 /nfs/dbraw/zinc/81/30/67/656813067.db2.gz LCGQFCYJQOWNNE-ZETCQYMHSA-N 2 0 290.311 -1.042 20 0 CAADRP O=S(=O)(NCC12CC(C1)C[NH2+]2)N1CC[NH2+]CC1 ZINC000923657992 656813093 /nfs/dbraw/zinc/81/30/93/656813093.db2.gz GPKXFKWOQXFZNT-UHFFFAOYSA-N 2 0 260.363 -1.522 20 0 CAADRP CN([C@H](C[NH3+])C(F)(F)F)S(=O)(=O)N1CC[NH2+]CC1 ZINC000923659135 656813235 /nfs/dbraw/zinc/81/32/35/656813235.db2.gz LCGQFCYJQOWNNE-SSDOTTSWSA-N 2 0 290.311 -1.042 20 0 CAADRP C[C@H]1CC[C@@H](NS(=O)(=O)N2CC[NH2+]CC2)C[NH2+]1 ZINC000923661652 656813326 /nfs/dbraw/zinc/81/33/26/656813326.db2.gz HIMMTPGPZHMCPS-VHSXEESVSA-N 2 0 262.379 -1.134 20 0 CAADRP [NH3+]CC12CC(C1)CN2S(=O)(=O)N1CC[NH2+]CC1 ZINC000923655183 656813418 /nfs/dbraw/zinc/81/34/18/656813418.db2.gz OJLZNHKNRLWBOD-UHFFFAOYSA-N 2 0 260.363 -1.441 20 0 CAADRP CN(CC(C)(C)[NH3+])S(=O)(=O)N1CC[NH2+]CC1 ZINC000923656821 656813446 /nfs/dbraw/zinc/81/34/46/656813446.db2.gz ZEEIMSOIOVGAIX-UHFFFAOYSA-N 2 0 250.368 -1.195 20 0 CAADRP CN(CCOCC[NH3+])S(=O)(=O)[C@H]1CCC[NH2+]C1 ZINC000923662023 656813479 /nfs/dbraw/zinc/81/34/79/656813479.db2.gz JGZSBWWCSGMQIC-JTQLQIEISA-N 2 0 265.379 -1.025 20 0 CAADRP CO[C@@H]1CN(S(=O)(=O)N2CC[NH2+]CC2)[C@@](C)(C[NH3+])C1 ZINC000923661272 656813633 /nfs/dbraw/zinc/81/36/33/656813633.db2.gz CTNODHAZCSFDCI-WDEREUQCSA-N 2 0 292.405 -1.426 20 0 CAADRP [NH3+]CCCOCCNS(=O)(=O)N1CC[NH2+]CC1 ZINC000923664178 656813721 /nfs/dbraw/zinc/81/37/21/656813721.db2.gz UXJJPGYDYIZETP-UHFFFAOYSA-N 2 0 266.367 -1.909 20 0 CAADRP [NH3+]C1CCN(CCNS(=O)(=O)N2CC[NH2+]CC2)CC1 ZINC000923677839 656814075 /nfs/dbraw/zinc/81/40/75/656814075.db2.gz OEWGXRRDNOAXRP-UHFFFAOYSA-N 2 0 291.421 -1.851 20 0 CAADRP [NH3+]C1CCN(CCNS(=O)(=O)C2C[NH2+]C2)CC1 ZINC000923676833 656814113 /nfs/dbraw/zinc/81/41/13/656814113.db2.gz ATVUAAJVTYEVDX-UHFFFAOYSA-N 2 0 262.379 -1.699 20 0 CAADRP O=S(=O)(NC[C@H]1C[NH2+]CCC1(F)F)N1CC[NH2+]CC1 ZINC000923674621 656814157 /nfs/dbraw/zinc/81/41/57/656814157.db2.gz SCEYKOBXVMUKGS-SECBINFHSA-N 2 0 298.359 -1.029 20 0 CAADRP CCO[C@H](CNS(=O)(=O)N1CC[NH2+]CC1)C[NH+](C)C ZINC000923675501 656814352 /nfs/dbraw/zinc/81/43/52/656814352.db2.gz BEYLMNYBZHYSFA-LLVKDONJSA-N 2 0 294.421 -1.307 20 0 CAADRP CC1(C)CN(S(=O)(=O)N2CC[NH2+]CC2)C[C@H]1[NH3+] ZINC000923678006 656814367 /nfs/dbraw/zinc/81/43/67/656814367.db2.gz QQAHMJHZOQQJLB-SECBINFHSA-N 2 0 262.379 -1.195 20 0 CAADRP CC(C)([NH3+])CCNS(=O)(=O)N1CC[NH2+]CC1 ZINC000923675367 656814386 /nfs/dbraw/zinc/81/43/86/656814386.db2.gz SMLFLEIQCWYOEM-UHFFFAOYSA-N 2 0 250.368 -1.147 20 0 CAADRP C(C[N@@H+]1CC[C@@H](N[C@@H]2C[NH2+]CCOC2)C1)N1CCOCC1 ZINC000925498932 656815430 /nfs/dbraw/zinc/81/54/30/656815430.db2.gz TXUMMTXAGBQENU-HUUCEWRRSA-N 2 0 298.431 -1.029 20 0 CAADRP O=S(=O)(C[C@@H]1C[NH2+]CCO1)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923719091 656815725 /nfs/dbraw/zinc/81/57/25/656815725.db2.gz IZFGQXAIGRLHJG-TUAOUCFPSA-N 2 0 289.401 -1.154 20 0 CAADRP [NH3+][C@]1(CO)CCCN(S(=O)(=O)[C@H]2CCC[NH2+]C2)C1 ZINC000923697140 656816153 /nfs/dbraw/zinc/81/61/53/656816153.db2.gz YMPXEXWLZBTSTB-WDEREUQCSA-N 2 0 277.390 -1.146 20 0 CAADRP O=S(=O)(C[C@H]1C[NH2+]CCO1)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923719089 656816177 /nfs/dbraw/zinc/81/61/77/656816177.db2.gz IZFGQXAIGRLHJG-QJPTWQEYSA-N 2 0 289.401 -1.154 20 0 CAADRP [NH3+]CC[C@@H]1CCN(S(=O)(=O)C[C@H]2C[NH2+]CCO2)C1 ZINC000923697717 656816203 /nfs/dbraw/zinc/81/62/03/656816203.db2.gz AIICOXJQPIXFMO-GHMZBOCLSA-N 2 0 277.390 -1.025 20 0 CAADRP C[NH+](C)CCCS(=O)(=O)N1CCNCC[NH2+]CC1 ZINC000923694455 656816292 /nfs/dbraw/zinc/81/62/92/656816292.db2.gz YNKSMWSUHBIDTR-UHFFFAOYSA-N 2 0 278.422 -1.237 20 0 CAADRP C[C@@H]1CN(C(=O)C(=O)N2CC[C@H]([NH+](C)C)C2)C[C@H]1[NH3+] ZINC000926328969 656821650 /nfs/dbraw/zinc/82/16/50/656821650.db2.gz ACWAZFJHWNGXIJ-OUAUKWLOSA-N 2 0 268.361 -1.046 20 0 CAADRP CN(CCC[NH+](C)C)C(=O)C(=O)N1CCNCC[NH2+]CC1 ZINC000926301075 656821852 /nfs/dbraw/zinc/82/18/52/656821852.db2.gz WXCALJVDTAZCCP-UHFFFAOYSA-N 2 0 299.419 -1.582 20 0 CAADRP C[NH+](C)[C@H]1CCN(C(=O)C(=O)N2CCNCC[NH2+]CC2)C1 ZINC000926332786 656821889 /nfs/dbraw/zinc/82/18/89/656821889.db2.gz ZQZVLBMKYSJBDH-LBPRGKRZSA-N 2 0 297.403 -1.830 20 0 CAADRP O=C(NC[C@@H]1C[N@H+](CCCO)C[C@H]1O)C12CC[NH+](CC1)C2 ZINC000958595224 656975919 /nfs/dbraw/zinc/97/59/19/656975919.db2.gz PUNGIFYVPIQGHS-CHWSQXEVSA-N 2 0 297.399 -1.127 20 0 CAADRP O=C(NC[C@H]1C[N@H+](CCCO)C[C@H]1O)C12CC[NH+](CC1)C2 ZINC000958595226 656976322 /nfs/dbraw/zinc/97/63/22/656976322.db2.gz PUNGIFYVPIQGHS-QWHCGFSZSA-N 2 0 297.399 -1.127 20 0 CAADRP C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CC(N)=O)C1 ZINC001018636591 657237287 /nfs/dbraw/zinc/23/72/87/657237287.db2.gz VYJMWHGLYXRPCE-UWVGGRQHSA-N 2 0 254.334 -1.244 20 0 CAADRP NC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC001020178929 657289860 /nfs/dbraw/zinc/28/98/60/657289860.db2.gz JBYKFMOWFBZSJJ-KKOKHZNYSA-N 2 0 296.371 -1.428 20 0 CAADRP NC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC001020178927 657290082 /nfs/dbraw/zinc/29/00/82/657290082.db2.gz JBYKFMOWFBZSJJ-DDHJBXDOSA-N 2 0 296.371 -1.428 20 0 CAADRP NC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC001020178928 657290382 /nfs/dbraw/zinc/29/03/82/657290382.db2.gz JBYKFMOWFBZSJJ-FIQHERPVSA-N 2 0 296.371 -1.428 20 0 CAADRP COCC[N@H+](C)C[C@H](O)CN(C)CCN1CC[NH2+]CC1 ZINC000380728949 782231794 /nfs/dbraw/zinc/23/17/94/782231794.db2.gz RRNORNBEMZAUAM-CQSZACIVSA-N 2 0 288.436 -1.238 20 0 CAADRP CN(C(=O)[C@H]1C[NH+]2CCC1CC2)[C@H]1C[N@H+](CCO)C[C@@H]1O ZINC001047384299 782469326 /nfs/dbraw/zinc/46/93/26/782469326.db2.gz VQIBUSBCEFSUOD-IHRRRGAJSA-N 2 0 297.399 -1.176 20 0 CAADRP C[C@@H](O)C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001047483688 782481282 /nfs/dbraw/zinc/48/12/82/782481282.db2.gz HHOZNLKIWKDSBW-NDBYEHHHSA-N 2 0 285.388 -1.035 20 0 CAADRP CN(C(=O)C12CC[NH+](CC1)C2)[C@H]1C[N@H+](CCO)C[C@@H]1O ZINC001047598336 782496240 /nfs/dbraw/zinc/49/62/40/782496240.db2.gz HEGDNLVAFBMHSN-RYUDHWBXSA-N 2 0 283.372 -1.422 20 0 CAADRP CN(C(=O)[C@@H]1CC[NH+](C)C1)[C@H]1C[N@H+](CCCO)C[C@@H]1O ZINC001047628830 782499461 /nfs/dbraw/zinc/49/94/61/782499461.db2.gz LHVHMYRILZHTJO-AGIUHOORSA-N 2 0 285.388 -1.176 20 0 CAADRP C[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](CC(N)=O)C[C@@H]2C1 ZINC001048719928 782514347 /nfs/dbraw/zinc/51/43/47/782514347.db2.gz FOSNTTTVOIIPDX-TUAOUCFPSA-N 2 0 280.372 -1.044 20 0 CAADRP C[N@@H+]1CC[C@@H](C(=O)N2C[C@@H]3C[NH+](CC(N)=O)C[C@@H]3C2)C1 ZINC001049213437 782531379 /nfs/dbraw/zinc/53/13/79/782531379.db2.gz QIDDIUKADHZGEM-UTUOFQBUSA-N 2 0 280.372 -1.186 20 0 CAADRP NC(=O)C[N@H+]1C[C@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@H]2C1 ZINC001049174185 782532399 /nfs/dbraw/zinc/53/23/99/782532399.db2.gz NDRLZKHXJYCQIB-TXEJJXNPSA-N 2 0 292.383 -1.042 20 0 CAADRP O=C1CCC(=O)N1CCN1CC[NH2+]CC[NH2+]CC1 ZINC001262195291 782544503 /nfs/dbraw/zinc/54/45/03/782544503.db2.gz WJZPKUZDTKUXQQ-UHFFFAOYSA-N 2 0 254.334 -1.370 20 0 CAADRP [NH3+][C@@H](CNC(=O)N1CCNCC[NH2+]CC1)C1CC1 ZINC001262584550 782548443 /nfs/dbraw/zinc/54/84/43/782548443.db2.gz FKJZMCCCNSSPOL-NSHDSACASA-N 2 0 255.366 -1.072 20 0 CAADRP CCS(=O)(=O)NCC[NH2+]CCNC(=O)CC[NH+](C)C ZINC001133291724 776773394 /nfs/dbraw/zinc/77/33/94/776773394.db2.gz XQYPTFTUDIWSJN-UHFFFAOYSA-N 2 0 294.421 -1.417 20 0 CAADRP CNC(=O)NC(=O)C[NH2+]CCNC(=O)C1CC[NH+](C)CC1 ZINC001133288099 776774466 /nfs/dbraw/zinc/77/44/66/776774466.db2.gz RQMNFTPRJBNHKG-UHFFFAOYSA-N 2 0 299.375 -1.510 20 0 CAADRP C[NH+]1CCC(C(=O)NCC[NH2+][C@@H]2CCNC2=O)CC1 ZINC001133286995 776774693 /nfs/dbraw/zinc/77/46/93/776774693.db2.gz BIKAXDFVADHBGX-LLVKDONJSA-N 2 0 268.361 -1.078 20 0 CAADRP COCCOC[C@H](O)C[NH2+]CCNC(=O)CC[NH+](C)C ZINC001133288476 776774801 /nfs/dbraw/zinc/77/48/01/776774801.db2.gz XRQFHMXBONCWPF-GFCCVEGCSA-N 2 0 291.392 -1.332 20 0 CAADRP C[NH+]1CCC(NC(=O)C(=O)N2CCC[C@@]([NH3+])(CO)C2)CC1 ZINC001120419642 779635291 /nfs/dbraw/zinc/63/52/91/779635291.db2.gz WLUGIMGDHHONBG-AWEZNQCLSA-N 2 0 298.387 -1.491 20 0 CAADRP COCC[NH+]1CCC(NC(=O)C(=O)NCC2([NH3+])CC2)CC1 ZINC001120419955 779635515 /nfs/dbraw/zinc/63/55/15/779635515.db2.gz YWQQUWFYHRBNTM-UHFFFAOYSA-N 2 0 298.387 -1.179 20 0 CAADRP O=C(NCC[N@@H+]1CCCOCC1)N1CCNCC[NH2+]CC1 ZINC001120622653 779643369 /nfs/dbraw/zinc/64/33/69/779643369.db2.gz AOVSECYGCJSBBR-UHFFFAOYSA-N 2 0 299.419 -1.087 20 0 CAADRP [NH3+]C1CCN(CCNC(=O)NCC2C[NH2+]C2)CC1 ZINC001120629587 779643395 /nfs/dbraw/zinc/64/33/95/779643395.db2.gz HKHPHNVNQSHXAB-UHFFFAOYSA-N 2 0 255.366 -1.072 20 0 CAADRP O=C(C[C@@H]1CSCC[NH2+]1)N1CC[NH2+]C[C@H]1CO ZINC001122208335 779662262 /nfs/dbraw/zinc/66/22/62/779662262.db2.gz LOYUCEOPJNJMCG-ZJUUUORDSA-N 2 0 259.375 -1.126 20 0 CAADRP O=C(NCC[NH2+]CCNC(=O)[C@@H]1CCC[NH2+]1)[C@@H]1CCC[NH2+]1 ZINC001122364314 779666294 /nfs/dbraw/zinc/66/62/94/779666294.db2.gz GCQQFEBHUMATJN-RYUDHWBXSA-N 3 0 297.403 -1.688 20 0 CAADRP [NH3+][C@H]1C[C@H](NC(=O)CCNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC001122578936 779672173 /nfs/dbraw/zinc/67/21/73/779672173.db2.gz NQJYPKTUMGTVFL-OPRDCNLKSA-N 2 0 254.334 -1.149 20 0 CAADRP [NH3+]CCNCC(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC001122535656 779672473 /nfs/dbraw/zinc/67/24/73/779672473.db2.gz DSXULQIVFDNFBB-NEPJUHHUSA-N 2 0 270.377 -1.408 20 0 CAADRP CC(C)(O)CC[NH+]1CCN(C(=O)[C@@H]2C[NH2+]CCN2)CC1 ZINC001161177103 779727748 /nfs/dbraw/zinc/72/77/48/779727748.db2.gz ZXNJBPNGMIPOGQ-LBPRGKRZSA-N 2 0 284.404 -1.147 20 0 CAADRP C[C@@H]1C[C@@H](NC(=O)C(=O)NC[C@H]2COCC[NH2+]2)CC[N@@H+]1C ZINC001118864236 779591623 /nfs/dbraw/zinc/59/16/23/779591623.db2.gz ANKDGEVINIUICL-WOPDTQHZSA-N 2 0 298.387 -1.310 20 0 CAADRP [NH3+]CCSC[C@H]([NH3+])C(=O)N1CC[C@@H]([NH3+])[C@H](O)C1 ZINC001160656273 779974889 /nfs/dbraw/zinc/97/48/89/779974889.db2.gz UTMLBQBYDGSTGD-HRDYMLBCSA-N 3 0 262.379 -2.074 20 0 CAADRP O=S(=O)(C[C@H]1C[NH2+]CCO1)NCC1=CC[NH2+]CC1 ZINC001118995894 779602117 /nfs/dbraw/zinc/60/21/17/779602117.db2.gz KKVSODDBIRWHSP-LLVKDONJSA-N 2 0 275.374 -1.186 20 0 CAADRP [NH3+]CCS(=O)(=O)N1CCCC[C@@](O)(C[NH3+])C1 ZINC001238944221 780526214 /nfs/dbraw/zinc/52/62/14/780526214.db2.gz PHWVQSIZXJIJSW-SECBINFHSA-N 2 0 251.352 -1.549 20 0 CAADRP CNC(=O)[C@H](CCCC[NH3+])NS(=O)(=O)CC[NH3+] ZINC001238917890 780526285 /nfs/dbraw/zinc/52/62/85/780526285.db2.gz POPNGOPCWCYGOM-QMMMGPOBSA-N 2 0 266.367 -1.892 20 0 CAADRP [NH3+]C[C@@]1(O)CCCN(S(=O)(=O)[C@H]2CC[NH2+]C2)CC1 ZINC001238934668 780526439 /nfs/dbraw/zinc/52/64/39/780526439.db2.gz MGXACHDYRCPYCR-WDEREUQCSA-N 2 0 277.390 -1.146 20 0 CAADRP [NH3+]C[C@]1(O)CCCN(S(=O)(=O)[C@H]2CC[NH2+]C2)CC1 ZINC001238934667 780526496 /nfs/dbraw/zinc/52/64/96/780526496.db2.gz MGXACHDYRCPYCR-QWRGUYRKSA-N 2 0 277.390 -1.146 20 0 CAADRP [NH3+]C[C@]1(O)CCCCN(S(=O)(=O)[C@H]2CC[NH2+]C2)C1 ZINC001238944252 780526539 /nfs/dbraw/zinc/52/65/39/780526539.db2.gz PYJUXCYQSPBKGW-WDEREUQCSA-N 2 0 277.390 -1.146 20 0 CAADRP [NH3+]CCS(=O)(=O)N1CCOC[C@@]2(C[NH2+]CCO2)C1 ZINC001238999784 780527287 /nfs/dbraw/zinc/52/72/87/780527287.db2.gz LAGASYKPZKKXRJ-SNVBAGLBSA-N 2 0 279.362 -2.034 20 0 CAADRP [NH3+]CCS(=O)(=O)N1CC(=O)NC[C@@]12CC[NH2+]C2 ZINC001239005803 780527441 /nfs/dbraw/zinc/52/74/41/780527441.db2.gz ROVGDMJMTPCJHU-VIFPVBQESA-N 2 0 262.335 -2.561 20 0 CAADRP [NH3+]CCS(=O)(=O)N1CCC2(CC1)C[NH2+]CCO2 ZINC001239001556 780527593 /nfs/dbraw/zinc/52/75/93/780527593.db2.gz UKGOAGMNABIERY-UHFFFAOYSA-N 2 0 263.363 -1.271 20 0 CAADRP [NH3+]CCS(=O)(=O)N1CCOCC2(CC[NH2+]CC2)C1 ZINC001239004909 780527615 /nfs/dbraw/zinc/52/76/15/780527615.db2.gz JSXOGVKQKICQOI-UHFFFAOYSA-N 2 0 277.390 -1.023 20 0 CAADRP [NH3+]CCN1CCN(S(=O)(=O)CC2CC[NH2+]CC2)CC1 ZINC001238986872 780527725 /nfs/dbraw/zinc/52/77/25/780527725.db2.gz VXGKXKVJTOFSLZ-UHFFFAOYSA-N 2 0 290.433 -1.108 20 0 CAADRP [NH3+]C[C@H]1CN(S(=O)(=O)CC2CC[NH2+]CC2)C[C@H]1O ZINC001238973008 780527815 /nfs/dbraw/zinc/52/78/15/780527815.db2.gz ZZZQANBINRZFCX-WDEREUQCSA-N 2 0 277.390 -1.433 20 0 CAADRP [NH3+]CCS(=O)(=O)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1 ZINC001239012215 780527904 /nfs/dbraw/zinc/52/79/04/780527904.db2.gz KKTXOBYOPBARHY-NSHDSACASA-N 2 0 288.373 -2.314 20 0 CAADRP [NH3+]C[C@H]1CN(S(=O)(=O)CC2CC[NH2+]CC2)C[C@@H]1O ZINC001238972345 780527985 /nfs/dbraw/zinc/52/79/85/780527985.db2.gz ZZZQANBINRZFCX-QWRGUYRKSA-N 2 0 277.390 -1.433 20 0 CAADRP COC(=O)[C@@H]1C[C@H]([NH3+])CN(S(=O)(=O)CC[NH3+])C1 ZINC001239088874 780530086 /nfs/dbraw/zinc/53/00/86/780530086.db2.gz NAFYSQNKDITCPZ-SFYZADRCSA-N 2 0 265.335 -1.903 20 0 CAADRP C[NH+]1CCN(C2CCN(S(=O)(=O)CC[NH3+])CC2)CC1 ZINC001239084001 780530246 /nfs/dbraw/zinc/53/02/46/780530246.db2.gz PUDCIFROKCOVLA-UHFFFAOYSA-N 2 0 290.433 -1.013 20 0 CAADRP COCCN(C1CC[NH2+]CC1)S(=O)(=O)CC[NH3+] ZINC001239100603 780530303 /nfs/dbraw/zinc/53/03/03/780530303.db2.gz CKKBECXXEGLMBJ-UHFFFAOYSA-N 2 0 265.379 -1.025 20 0 CAADRP COC(=O)[C@H]1C[C@@H]([NH3+])CN(S(=O)(=O)CC[NH3+])C1 ZINC001239088873 780530403 /nfs/dbraw/zinc/53/04/03/780530403.db2.gz NAFYSQNKDITCPZ-JGVFFNPUSA-N 2 0 265.335 -1.903 20 0 CAADRP [NH3+]CCS(=O)(=O)N(C1COC1)C1CC[NH2+]CC1 ZINC001239098680 780530474 /nfs/dbraw/zinc/53/04/74/780530474.db2.gz BBCARWVHCXWANQ-UHFFFAOYSA-N 2 0 263.363 -1.272 20 0 CAADRP COC(=O)[C@H]1CN(S(=O)(=O)CC[NH3+])C[C@@H]1[NH3+] ZINC001239134927 780532765 /nfs/dbraw/zinc/53/27/65/780532765.db2.gz KSINBWMCXNTOLJ-BQBZGAKWSA-N 2 0 251.308 -2.293 20 0 CAADRP COCCN([C@@H]1CCC[NH2+]C1)S(=O)(=O)CC[NH3+] ZINC001239134150 780532949 /nfs/dbraw/zinc/53/29/49/780532949.db2.gz YOTWAHKVBMKBMV-SNVBAGLBSA-N 2 0 265.379 -1.025 20 0 CAADRP COC(=O)[C@@H]1CN(S(=O)(=O)CC[NH3+])C[C@H]1[NH3+] ZINC001239134929 780533210 /nfs/dbraw/zinc/53/32/10/780533210.db2.gz KSINBWMCXNTOLJ-RNFRBKRXSA-N 2 0 251.308 -2.293 20 0 CAADRP COC(=O)[C@H]1CN(S(=O)(=O)C2CC[NH2+]CC2)C[C@H]1[NH3+] ZINC001239135209 780533352 /nfs/dbraw/zinc/53/33/52/780533352.db2.gz MUSPGRFIYGWWRG-VHSXEESVSA-N 2 0 291.373 -1.500 20 0 CAADRP COC(=O)[C@@H]1CN(S(=O)(=O)C2CC[NH2+]CC2)C[C@@H]1[NH3+] ZINC001239135210 780533364 /nfs/dbraw/zinc/53/33/64/780533364.db2.gz MUSPGRFIYGWWRG-ZJUUUORDSA-N 2 0 291.373 -1.500 20 0 CAADRP COC(=O)[C@]12CC[NH2+][C@H]1CN(S(=O)(=O)CC[NH3+])CC2 ZINC001239171980 780534596 /nfs/dbraw/zinc/53/45/96/780534596.db2.gz DRYAMPSLERFBTQ-ONGXEEELSA-N 2 0 291.373 -1.498 20 0 CAADRP [NH3+]CCS(=O)(=O)N1CC[C@@H](N2CCC([NH3+])CC2)C1 ZINC001239160936 780534741 /nfs/dbraw/zinc/53/47/41/780534741.db2.gz IEYWDIRGUMEPGU-LLVKDONJSA-N 2 0 276.406 -1.228 20 0 CAADRP C[NH+](C)CC(=O)N[C@@H]1CCCN(S(=O)(=O)CC[NH3+])C1 ZINC001239146911 780534835 /nfs/dbraw/zinc/53/48/35/780534835.db2.gz GNCQQGQYKVOCEA-SNVBAGLBSA-N 2 0 292.405 -1.583 20 0 CAADRP [NH3+]CCNC(=S)NC[C@]1(O)CC[NH2+]C[C@@H]1F ZINC001239353456 780534862 /nfs/dbraw/zinc/53/48/62/780534862.db2.gz IIWNAIXDUPKMDQ-IONNQARKSA-N 2 0 250.343 -1.528 20 0 CAADRP COC(=O)[C@@]12CC[NH2+][C@H]1CN(S(=O)(=O)CC[NH3+])CC2 ZINC001239171976 780534894 /nfs/dbraw/zinc/53/48/94/780534894.db2.gz DRYAMPSLERFBTQ-GXSJLCMTSA-N 2 0 291.373 -1.498 20 0 CAADRP [NH3+]CCNC(=S)NC1CN(C2CC[NH2+]CC2)C1 ZINC001239371608 780535729 /nfs/dbraw/zinc/53/57/29/780535729.db2.gz RIQIKPCSJJTBTD-UHFFFAOYSA-N 2 0 257.407 -1.155 20 0 CAADRP [NH3+]CCNC(=S)N1CCNCC[NH2+]CCNCC1 ZINC001239438170 780535830 /nfs/dbraw/zinc/53/58/30/780535830.db2.gz CRUGQDBDTWMXNP-UHFFFAOYSA-N 2 0 274.438 -2.096 20 0 CAADRP [NH3+]CCNC(=S)N1CCNC2(CC[NH2+]CC2)C1 ZINC001239417821 780536192 /nfs/dbraw/zinc/53/61/92/780536192.db2.gz TZXABLWJSDTAHL-UHFFFAOYSA-N 2 0 257.407 -1.153 20 0 CAADRP C[NH+](C)CCNC(=S)N[C@@]12CC[NH2+][C@@H]1CC(=O)N2 ZINC001239366182 780536250 /nfs/dbraw/zinc/53/62/50/780536250.db2.gz IDDZJPWEAGACPB-KCJUWKMLSA-N 2 0 271.390 -1.410 20 0 CAADRP COC(=O)[C@@H]1C[C@H]([NH3+])CN1C(=S)NCC[NH+](C)C ZINC001239447518 780536313 /nfs/dbraw/zinc/53/63/13/780536313.db2.gz DZDCHMMFNWMJBS-IUCAKERBSA-N 2 0 274.390 -1.003 20 0 CAADRP COC(=O)[C@@H]1C[C@@H]([NH3+])CN1C(=S)NCC[NH+](C)C ZINC001239447517 780536481 /nfs/dbraw/zinc/53/64/81/780536481.db2.gz DZDCHMMFNWMJBS-BDAKNGLRSA-N 2 0 274.390 -1.003 20 0 CAADRP CCOC(=O)[C@H]1C[NH2+]CCN1[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246599068 780558277 /nfs/dbraw/zinc/55/82/77/780558277.db2.gz CESDRXIMNKHQSR-NWDGAFQWSA-N 2 0 282.388 -1.083 20 0 CAADRP C1[NH2+]CC12C[C@H](N1CC3(C1)C[NH2+]CCO3)CCN2 ZINC001246617436 780558363 /nfs/dbraw/zinc/55/83/63/780558363.db2.gz CBKOMEIMZUTZBF-LLVKDONJSA-N 2 0 252.362 -1.245 20 0 CAADRP O=C1C[N@@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)CC2(CC[NH2+]CC2)N1 ZINC001246624830 780558396 /nfs/dbraw/zinc/55/83/96/780558396.db2.gz FVEOBIHLEAINMP-GFCCVEGCSA-N 3 0 293.415 -1.366 20 0 CAADRP C1[NH2+]CC12C[C@H](N1CCN3CC[NH2+]C[C@H]3C1)CCN2 ZINC001246624793 780558660 /nfs/dbraw/zinc/55/86/60/780558660.db2.gz OZXDLHKVADFKJZ-OLZOCXBDSA-N 2 0 265.405 -1.330 20 0 CAADRP COC(=O)[C@@H]1C[C@@H]([N@@H+]2CCNC3(CC[NH2+]CC3)C2)CN1 ZINC001246599695 780558678 /nfs/dbraw/zinc/55/86/78/780558678.db2.gz DGWUGDNUQYFXLM-NEPJUHHUSA-N 2 0 282.388 -1.083 20 0 CAADRP C1[NH2+]CC12C[C@@H](N1CCN3CC[NH2+]C[C@H]3C1)CCN2 ZINC001246624795 780558962 /nfs/dbraw/zinc/55/89/62/780558962.db2.gz OZXDLHKVADFKJZ-STQMWFEESA-N 2 0 265.405 -1.330 20 0 CAADRP O=C1C[N@@H+]([C@H]2CCNC3(C[NH2+]C3)C2)CC2(CC[NH2+]CC2)N1 ZINC001246624831 780559081 /nfs/dbraw/zinc/55/90/81/780559081.db2.gz FVEOBIHLEAINMP-LBPRGKRZSA-N 3 0 293.415 -1.366 20 0 CAADRP C1[NH2+]CC12C[C@@H](N1CCNC[C@]13CC[NH2+]C3)CCN2 ZINC001246623750 780559228 /nfs/dbraw/zinc/55/92/28/780559228.db2.gz KZPBOXKADJIQPN-GXTWGEPZSA-N 2 0 265.405 -1.282 20 0 CAADRP CS(=O)(=O)N1CCC([NH2+]CCOCC[NH3+])CC1 ZINC001257224461 780627973 /nfs/dbraw/zinc/62/79/73/780627973.db2.gz HKODPESHQPPBNH-UHFFFAOYSA-N 2 0 265.379 -1.025 20 0 CAADRP CS(=O)(=O)N1CCC([NH2+]C[C@@H](O)C[NH3+])CC1 ZINC001257222827 780628534 /nfs/dbraw/zinc/62/85/34/780628534.db2.gz FYMKLXHREZZBML-VIFPVBQESA-N 2 0 251.352 -1.680 20 0 CAADRP CS(=O)(=O)N1CCC([NH2+][C@@H]2COC[C@H]2N)CC1 ZINC001257226784 780628722 /nfs/dbraw/zinc/62/87/22/780628722.db2.gz KLKHETUORURJNN-NXEZZACHSA-N 2 0 263.363 -1.274 20 0 CAADRP COC(=O)CCS(=O)(=O)CC[C@@H](C)[NH2+]C[C@H](O)C[NH3+] ZINC001257915024 780630833 /nfs/dbraw/zinc/63/08/33/780630833.db2.gz KUALXQMMMRMLSK-NXEZZACHSA-N 2 0 296.389 -1.348 20 0 CAADRP COC(=O)[C@H](CCC[NH3+])NC(=O)[C@H]([NH3+])CCC[NH3+] ZINC001221188327 780405172 /nfs/dbraw/zinc/40/51/72/780405172.db2.gz SKHZCBDKNIXIBH-BDAKNGLRSA-N 3 0 260.338 -1.551 20 0 CAADRP COC(=O)[C@H](CCC[NH3+])NC(=O)[C@@H]1C[C@@H]([NH3+])CN1 ZINC001221190518 780405571 /nfs/dbraw/zinc/40/55/71/780405571.db2.gz QLTXCNCGKSAPOQ-VGMNWLOBSA-N 2 0 258.322 -1.928 20 0 CAADRP COC(=O)[C@H](CCC[NH3+])NC(=O)[C@@H]([NH3+])CSCC[NH3+] ZINC001221190566 780405586 /nfs/dbraw/zinc/40/55/86/780405586.db2.gz RTMXDVIBUIKQRA-IUCAKERBSA-N 3 0 292.405 -1.598 20 0 CAADRP COC(=O)[C@H](CCC[NH3+])NC(=O)[C@@H]([NH3+])COC(C)=O ZINC001221187952 780405765 /nfs/dbraw/zinc/40/57/65/780405765.db2.gz KVRHJIXXUPIPRT-IUCAKERBSA-N 2 0 275.305 -1.727 20 0 CAADRP COC(=O)[C@H](CCC[NH3+])NC(=O)[C@@H]([NH3+])CCC[NH3+] ZINC001221188328 780405833 /nfs/dbraw/zinc/40/58/33/780405833.db2.gz SKHZCBDKNIXIBH-IUCAKERBSA-N 3 0 260.338 -1.551 20 0 CAADRP COC(=O)[C@H](CCC[NH3+])NC(=O)[C@H]([NH3+])Cc1cnc[nH]1 ZINC001221188615 780405973 /nfs/dbraw/zinc/40/59/73/780405973.db2.gz ZFJZZQIRTINAKB-ZJUUUORDSA-N 2 0 283.332 -1.324 20 0 CAADRP COC(=O)[C@H](CCC[NH3+])NC(=O)[C@@H]1C[C@H](O)C[NH2+]1 ZINC001221188261 780406014 /nfs/dbraw/zinc/40/60/14/780406014.db2.gz QXNJRWIZDSKUKW-CIUDSAMLSA-N 2 0 259.306 -1.894 20 0 CAADRP COC(=O)[C@H](CCC[NH3+])NC(=O)[C@]1(N)CCC[NH2+]C1 ZINC001221187641 780406100 /nfs/dbraw/zinc/40/61/00/780406100.db2.gz CSUVDSGKPAEATE-CABZTGNLSA-N 2 0 272.349 -1.536 20 0 CAADRP COC(=O)[C@H](CCC[NH3+])NC(=O)[C@H]1C[C@@H](O)C[NH2+]1 ZINC001221188262 780406181 /nfs/dbraw/zinc/40/61/81/780406181.db2.gz QXNJRWIZDSKUKW-HRDYMLBCSA-N 2 0 259.306 -1.894 20 0 CAADRP COC(=O)[C@H](CCC[NH3+])NC(=O)[C@@]1(N)CCC[NH2+]C1 ZINC001221187642 780406183 /nfs/dbraw/zinc/40/61/83/780406183.db2.gz CSUVDSGKPAEATE-JOYOIKCWSA-N 2 0 272.349 -1.536 20 0 CAADRP COC(=O)[C@H](CCC[NH3+])NC(=O)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001221187957 780406220 /nfs/dbraw/zinc/40/62/20/780406220.db2.gz LCXSMZFRSMCZNV-ZJUUUORDSA-N 3 0 284.360 -1.808 20 0 CAADRP COC(=O)[C@H](CCC[NH3+])NC(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001221187955 780406281 /nfs/dbraw/zinc/40/62/81/780406281.db2.gz LCXSMZFRSMCZNV-UWVGGRQHSA-N 3 0 284.360 -1.808 20 0 CAADRP O=C(N[C@@H]1CCCNC(=O)C1)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001221268818 780412811 /nfs/dbraw/zinc/41/28/11/780412811.db2.gz DIIOWYYPRWFKDG-ZJUUUORDSA-N 2 0 266.345 -1.420 20 0 CAADRP O=C(N[C@@H]1CCCNC(=O)C1)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001221268815 780412863 /nfs/dbraw/zinc/41/28/63/780412863.db2.gz DIIOWYYPRWFKDG-NXEZZACHSA-N 2 0 266.345 -1.420 20 0 CAADRP [NH3+]CCSC[C@H]([NH3+])C(=O)N[C@H]1CCCNC(=O)C1 ZINC001221269040 780413045 /nfs/dbraw/zinc/41/30/45/780413045.db2.gz GUOWVLWKSCUZJU-IUCAKERBSA-N 2 0 274.390 -1.210 20 0 CAADRP O=C(CNC(=O)[C@H]1C[NH2+]CC12C[NH2+]C2)NCC(F)(F)F ZINC001221278084 780413430 /nfs/dbraw/zinc/41/34/30/780413430.db2.gz HDCKJQQAJZZODZ-SSDOTTSWSA-N 2 0 294.277 -1.410 20 0 CAADRP CC1(C)[NH2+]C[C@@H](CN2CC(=O)NC[C@]23CC[NH2+]C3)O1 ZINC001222372876 780425927 /nfs/dbraw/zinc/42/59/27/780425927.db2.gz GGIIVQVDWMEPCG-GXFFZTMASA-N 2 0 268.361 -1.125 20 0 CAADRP [NH3+]CCS(=O)(=O)NC[C@]1(O)CCCC[NH2+]C1 ZINC001238089254 780512257 /nfs/dbraw/zinc/51/22/57/780512257.db2.gz DXKOUWWFHLFCMV-VIFPVBQESA-N 2 0 251.352 -1.631 20 0 CAADRP O=S(=O)(CC1CC[NH2+]CC1)N[C@@H]1C[NH2+]CCOC1 ZINC001238111423 780512696 /nfs/dbraw/zinc/51/26/96/780512696.db2.gz VJZKCUOANMSTGA-LLVKDONJSA-N 2 0 277.390 -1.106 20 0 CAADRP [NH3+]CCS(=O)(=O)NC[C@H]1CC2(CC[NH2+]CC2)O1 ZINC001238291735 780515406 /nfs/dbraw/zinc/51/54/06/780515406.db2.gz GFAFEYKLDAEVGG-SECBINFHSA-N 2 0 263.363 -1.224 20 0 CAADRP [NH3+]CCS(=O)(=O)N[C@H]1COC2(C1)CC[NH2+]CC2 ZINC001238271697 780515575 /nfs/dbraw/zinc/51/55/75/780515575.db2.gz OMIHFERIAUBNBS-SECBINFHSA-N 2 0 263.363 -1.224 20 0 CAADRP [NH3+]CCS(=O)(=O)NC[C@H]1OC[C@H]2C[NH2+]CC[C@H]21 ZINC001238300784 780515958 /nfs/dbraw/zinc/51/59/58/780515958.db2.gz BQWXWWLLOLRZRV-OPRDCNLKSA-N 2 0 263.363 -1.511 20 0 CAADRP [NH3+]CCS(=O)(=O)NC[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001238244219 780516166 /nfs/dbraw/zinc/51/61/66/780516166.db2.gz YFOVVESOOPCIEW-SNVBAGLBSA-N 3 0 276.406 -1.261 20 0 CAADRP [NH3+]CCS(=O)(=O)N[C@H]1CCO[C@]2(CC[NH2+]C2)C1 ZINC001238349089 780516310 /nfs/dbraw/zinc/51/63/10/780516310.db2.gz WIFNZGUZOLKQFF-VHSXEESVSA-N 2 0 263.363 -1.224 20 0 CAADRP [NH3+]CCS(=O)(=O)N[C@H]1CCS(=O)(=O)C12C[NH2+]C2 ZINC001238240244 780516320 /nfs/dbraw/zinc/51/63/20/780516320.db2.gz AZYLTAVXEJSWRV-ZETCQYMHSA-N 2 0 283.375 -2.606 20 0 CAADRP [NH3+]CCS(=O)(=O)NC[C@@H]1OC[C@@H]2CC[NH2+]C[C@@H]21 ZINC001238302336 780516393 /nfs/dbraw/zinc/51/63/93/780516393.db2.gz YWWZSICPWXAEPN-GUBZILKMSA-N 2 0 263.363 -1.511 20 0 CAADRP [NH3+]CCS(=O)(=O)NC[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001238244218 780516432 /nfs/dbraw/zinc/51/64/32/780516432.db2.gz YFOVVESOOPCIEW-JTQLQIEISA-N 3 0 276.406 -1.261 20 0 CAADRP O=S(=O)(CC1CC[NH2+]CC1)N[C@@H]1C[NH2+][C@@H]2COC[C@H]12 ZINC001238303374 780516437 /nfs/dbraw/zinc/51/64/37/780516437.db2.gz WGXKVTCJVCUYPZ-IJLUTSLNSA-N 2 0 289.401 -1.108 20 0 CAADRP CCOC(=O)[C@H]1C[NH2+]CC[C@H]1NS(=O)(=O)CC[NH3+] ZINC001238411842 780518542 /nfs/dbraw/zinc/51/85/42/780518542.db2.gz GZDNZNVPGDNWSC-DTWKUNHWSA-N 2 0 279.362 -1.594 20 0 CAADRP [NH3+]CCS(=O)(=O)NCc1ncn2c1C[NH2+]CCC2 ZINC001238526377 780518802 /nfs/dbraw/zinc/51/88/02/780518802.db2.gz CAGHLPUHAKTZHE-UHFFFAOYSA-N 2 0 273.362 -1.246 20 0 CAADRP [NH3+]CCS(=O)(=O)N[C@H]1CO[C@]2(C1)CCC[NH2+]C2 ZINC001238540269 780518850 /nfs/dbraw/zinc/51/88/50/780518850.db2.gz CQCFHYGTAKGGOC-ZJUUUORDSA-N 2 0 263.363 -1.224 20 0 CAADRP [NH3+]CCS(=O)(=O)NC1CN(C2CC[NH2+]CC2)C1 ZINC001238474222 780519186 /nfs/dbraw/zinc/51/91/86/780519186.db2.gz IFGYTIJJGWCSJO-UHFFFAOYSA-N 2 0 262.379 -1.699 20 0 CAADRP CCOC(=O)[C@H]1C[NH2+]CC[C@@H]1NS(=O)(=O)CC[NH3+] ZINC001238411844 780519242 /nfs/dbraw/zinc/51/92/42/780519242.db2.gz GZDNZNVPGDNWSC-IUCAKERBSA-N 2 0 279.362 -1.594 20 0 CAADRP O=S(=O)(N[C@H]1C[NH2+]C[C@H]1CO)C1CC[NH2+]CC1 ZINC001238647069 780522002 /nfs/dbraw/zinc/52/20/02/780522002.db2.gz VMGDWOQWCHPXBD-WPRPVWTQSA-N 2 0 263.363 -1.762 20 0 CAADRP O=S(=O)(CC1CC[NH2+]CC1)N[C@H]1CC[NH2+]C[C@@H]1O ZINC001238659151 780522159 /nfs/dbraw/zinc/52/21/59/780522159.db2.gz NWOLFIBXXPBFHE-QWRGUYRKSA-N 2 0 277.390 -1.372 20 0 CAADRP COC(=O)[C@H](NS(=O)(=O)CC[NH3+])C1CC[NH2+]CC1 ZINC001238712255 780522273 /nfs/dbraw/zinc/52/22/73/780522273.db2.gz AKBATAYBFNPUFG-SECBINFHSA-N 2 0 279.362 -1.594 20 0 CAADRP O=S(=O)(N[C@@H]1C[NH2+]C[C@@H]1CO)C1CC[NH2+]CC1 ZINC001238647065 780522314 /nfs/dbraw/zinc/52/23/14/780522314.db2.gz VMGDWOQWCHPXBD-PSASIEDQSA-N 2 0 263.363 -1.762 20 0 CAADRP O=S(=O)(N[C@@H]1C[NH2+]CC[C@@H]1F)[C@H]1CC[NH2+]C1 ZINC001238899094 780524150 /nfs/dbraw/zinc/52/41/50/780524150.db2.gz QKNRBYXFDVUHQP-XHNCKOQMSA-N 2 0 251.327 -1.032 20 0 CAADRP CCOC(=O)C1(NS(=O)(=O)CC[NH3+])CC[NH2+]CC1 ZINC001238886312 780524219 /nfs/dbraw/zinc/52/42/19/780524219.db2.gz CYCALOHSNBKHRQ-UHFFFAOYSA-N 2 0 279.362 -1.450 20 0 CAADRP [NH3+]CCC[NH2+]CCCNS(=O)(=O)[C@@H]1CC[NH2+]C1 ZINC001238878521 780524258 /nfs/dbraw/zinc/52/42/58/780524258.db2.gz HMVNOWMOMJBQPI-SNVBAGLBSA-N 3 0 264.395 -1.404 20 0 CAADRP CC1(C)C[NH2+]C[C@H](CNS(=O)(=O)CC[NH3+])O1 ZINC001238845032 780524615 /nfs/dbraw/zinc/52/46/15/780524615.db2.gz DUBJRZROGYRZAL-MRVPVSSYSA-N 2 0 251.352 -1.369 20 0 CAADRP C[NH+]1CCC(CO)(NS(=O)(=O)CC[NH3+])CC1 ZINC001238910846 780525125 /nfs/dbraw/zinc/52/51/25/780525125.db2.gz DPJGFLSDMIZGNP-UHFFFAOYSA-N 2 0 251.352 -1.679 20 0 CAADRP COC(=O)[C@H](NS(=O)(=O)CC[NH3+])[C@@H]1CC[NH2+]C1 ZINC001238897374 780525372 /nfs/dbraw/zinc/52/53/72/780525372.db2.gz KDTUWCFSPSEDHG-HTQZYQBOSA-N 2 0 265.335 -1.984 20 0 CAADRP [NH3+][C@@H]1CCN(S(=O)(=O)C2CC[NH2+]CC2)C[C@H]1O ZINC001238948068 780525858 /nfs/dbraw/zinc/52/58/58/780525858.db2.gz JIDKZFIDIHMVLE-NXEZZACHSA-N 2 0 263.363 -1.538 20 0 CAADRP [NH3+]CCS(=O)(=O)N1CCCC[C@](O)(C[NH3+])C1 ZINC001238944222 780526106 /nfs/dbraw/zinc/52/61/06/780526106.db2.gz PHWVQSIZXJIJSW-VIFPVBQESA-N 2 0 251.352 -1.549 20 0 CAADRP [NH3+]CC(=O)NCC(=O)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC001261459426 780664229 /nfs/dbraw/zinc/66/42/29/780664229.db2.gz MDBQBVCZRDZUCM-NSHDSACASA-N 2 0 268.361 -1.091 20 0 CAADRP [NH3+]CCN1CCC[C@H](C(=O)N2CC[C@@H](C[NH3+])C2)C1=O ZINC001262553955 780716158 /nfs/dbraw/zinc/71/61/58/780716158.db2.gz OHIYWEGREKEHJN-QWRGUYRKSA-N 2 0 268.361 -1.009 20 0 CAADRP [NH3+]C1(CNC(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)CC1 ZINC001262598316 780716987 /nfs/dbraw/zinc/71/69/87/780716987.db2.gz OQZAVMKFHBVQTR-VHSXEESVSA-N 2 0 254.334 -1.062 20 0 CAADRP CC[NH+]1CCN(CCCNC(=O)C[C@H](O)C[NH3+])CC1 ZINC001263103048 780719835 /nfs/dbraw/zinc/71/98/35/780719835.db2.gz MJTLZIOPIJXMKG-LBPRGKRZSA-N 2 0 272.393 -1.160 20 0 CAADRP C[NH2+]C[C@H](O)[C@@H](C)C(=O)NCCCN1CC[NH+](C)CC1 ZINC001263103366 780720307 /nfs/dbraw/zinc/72/03/07/780720307.db2.gz XFBVVOKCAFPNGK-OLZOCXBDSA-N 2 0 286.420 -1.044 20 0 CAADRP C[NH2+]C[C@H](O)[C@H](C)C(=O)NCCCN1CC[NH+](C)CC1 ZINC001263103368 780720319 /nfs/dbraw/zinc/72/03/19/780720319.db2.gz XFBVVOKCAFPNGK-STQMWFEESA-N 2 0 286.420 -1.044 20 0 CAADRP CC[NH2+]CC(=O)N1CCNCCN(C(=O)C[NH2+]CC)CC1 ZINC001263203165 780724147 /nfs/dbraw/zinc/72/41/47/780724147.db2.gz WAKCIJHCHSAAGA-UHFFFAOYSA-N 3 0 299.419 -1.534 20 0 CAADRP COC(=O)[C@@H]1C[N@@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)CCO1 ZINC001246565124 781454548 /nfs/dbraw/zinc/45/45/48/781454548.db2.gz ACEWGEIMMGLFCK-MNOVXSKESA-N 2 0 269.345 -1.046 20 0 CAADRP C[NH+](C)CCC(=O)N[C@@H]1CC[N@H+](CCO)C[C@H]1O ZINC001099988121 782847255 /nfs/dbraw/zinc/84/72/55/782847255.db2.gz CMMQLILGXWMAHX-GHMZBOCLSA-N 2 0 259.350 -1.518 20 0 CAADRP C[NH+](C)CCCC(=O)N[C@@H]1CC[N@H+](CCO)C[C@@H]1O ZINC001099974185 782845186 /nfs/dbraw/zinc/84/51/86/782845186.db2.gz ODUGGNIZGCURPS-NEPJUHHUSA-N 2 0 273.377 -1.128 20 0 CAADRP C[NH+](C)CCC(=O)N[C@H]1CC[N@H+](CCCO)C[C@H]1O ZINC001099988254 782846855 /nfs/dbraw/zinc/84/68/55/782846855.db2.gz FVWGTARKHQXXAQ-NWDGAFQWSA-N 2 0 273.377 -1.128 20 0 CAADRP CC[N@H+](C)CCC(=O)N[C@H]1CC[NH+](CCO)C[C@@H]1O ZINC001100067430 782850194 /nfs/dbraw/zinc/85/01/94/782850194.db2.gz RMAWJWFVYVUYRH-RYUDHWBXSA-N 2 0 273.377 -1.128 20 0 CAADRP CC[N@H+](C)CCC(=O)N[C@@H]1CC[NH+](CCO)C[C@@H]1O ZINC001100067428 782851461 /nfs/dbraw/zinc/85/14/61/782851461.db2.gz RMAWJWFVYVUYRH-NEPJUHHUSA-N 2 0 273.377 -1.128 20 0 CAADRP CCC[N@H+](C)CC(=O)N[C@H]1CC[NH+](CCO)C[C@H]1O ZINC001100080125 782851880 /nfs/dbraw/zinc/85/18/80/782851880.db2.gz DURPOJVYQATREV-NWDGAFQWSA-N 2 0 273.377 -1.128 20 0 CAADRP C[C@@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)COCC[NH+](C)C ZINC001115125642 782879510 /nfs/dbraw/zinc/87/95/10/782879510.db2.gz ACEDCXPOGPJFDE-NMKXLXIOSA-N 2 0 285.388 -1.008 20 0 CAADRP C[NH+](C)CCOCC(=O)N[C@@H]1[C@H]2C[N@H+](CCO)C[C@H]21 ZINC001115126179 782879713 /nfs/dbraw/zinc/87/97/13/782879713.db2.gz JNIHJMBTPMSMKY-PJXYFTJBSA-N 2 0 271.361 -1.397 20 0 CAADRP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1[C@H]2C[N@H+](CCO)C[C@H]21 ZINC001115245314 782880686 /nfs/dbraw/zinc/88/06/86/782880686.db2.gz PERRDPGEPFEYMM-MQYQWHSLSA-N 2 0 297.399 -1.007 20 0 CAADRP [NH3+][C@H]1CN(c2ccc(N3CC[NH2+]CC3)nn2)C[C@H]1O ZINC001167090440 775116197 /nfs/dbraw/zinc/11/61/97/775116197.db2.gz SYFAUDUPBYMCCB-VHSXEESVSA-N 2 0 264.333 -1.606 20 0 CAADRP [NH3+]C[C@H](O)CC(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000705604220 775122814 /nfs/dbraw/zinc/12/28/14/775122814.db2.gz XQCPVQPLZAIVLG-HBNTYKKESA-N 2 0 257.334 -1.325 20 0 CAADRP CCN(C(=O)[C@@H]1COC2(C[NH2+]C2)CN1)[C@H]1CCC[NH2+]C1 ZINC001161332800 775158532 /nfs/dbraw/zinc/15/85/32/775158532.db2.gz PHIKGPBZCALVOM-RYUDHWBXSA-N 2 0 282.388 -1.083 20 0 CAADRP CCN(C(=O)[C@H]1COC2(C[NH2+]C2)CN1)[C@@H]1CCC[NH2+]C1 ZINC001161332801 775158554 /nfs/dbraw/zinc/15/85/54/775158554.db2.gz PHIKGPBZCALVOM-VXGBXAGGSA-N 2 0 282.388 -1.083 20 0 CAADRP CCN(C(=O)[C@H]1COC2(C[NH2+]C2)CN1)[C@H]1CCC[NH2+]C1 ZINC001161332799 775159478 /nfs/dbraw/zinc/15/94/78/775159478.db2.gz PHIKGPBZCALVOM-NWDGAFQWSA-N 2 0 282.388 -1.083 20 0 CAADRP CCN(C(=O)[C@H](C)NC(=O)[C@@H]([NH3+])CO)[C@H]1CCC[NH2+]C1 ZINC001161339597 775161428 /nfs/dbraw/zinc/16/14/28/775161428.db2.gz LZODCNLPVWIHFQ-DCAQKATOSA-N 2 0 286.376 -1.589 20 0 CAADRP CNC(=O)C[NH2+]CCN(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001266803870 775173191 /nfs/dbraw/zinc/17/31/91/775173191.db2.gz UXFTXRNBWWTCLU-SNVBAGLBSA-N 2 0 256.350 -1.125 20 0 CAADRP CC(=O)OC[C@H]([NH3+])C(=O)N1CC[C@H](N2CCC([NH3+])CC2)C1 ZINC001161376660 775188911 /nfs/dbraw/zinc/18/89/11/775188911.db2.gz CCMLFEPEUFZRPK-STQMWFEESA-N 2 0 298.387 -1.099 20 0 CAADRP C[NH+](C)CCC(=O)N1CC[C@H]([NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001267016537 775195426 /nfs/dbraw/zinc/19/54/26/775195426.db2.gz WYLTULSFZCEJSN-WDEREUQCSA-N 2 0 296.371 -1.066 20 0 CAADRP COC[C@H](O)C[NH2+]CCN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001267072263 775200350 /nfs/dbraw/zinc/20/03/50/775200350.db2.gz XBLLEWZEYXAEFL-NWDGAFQWSA-N 2 0 273.377 -1.007 20 0 CAADRP COC[C@H](O)C[NH2+]CCN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001267072264 775200419 /nfs/dbraw/zinc/20/04/19/775200419.db2.gz XBLLEWZEYXAEFL-VXGBXAGGSA-N 2 0 273.377 -1.007 20 0 CAADRP N[C@@H](CC[NH3+])C(=O)N1CCO[C@H](C[NH+]2CCCC2)C1 ZINC001161389210 775201709 /nfs/dbraw/zinc/20/17/09/775201709.db2.gz PGCOGFSDIUNPFF-NEPJUHHUSA-N 2 0 270.377 -1.014 20 0 CAADRP C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC001161413323 775247406 /nfs/dbraw/zinc/24/74/06/775247406.db2.gz PFFFNVKFCXSECH-HHKYUTTNSA-N 2 0 284.360 -1.994 20 0 CAADRP NC(=O)NCCC[C@@H]([NH3+])C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC001161414712 775248911 /nfs/dbraw/zinc/24/89/11/775248911.db2.gz YUJYYAGYZQFKHD-ZRUFSTJUSA-N 2 0 283.376 -1.042 20 0 CAADRP NC(=O)NCCC[C@@H]([NH3+])C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC001161414710 775249335 /nfs/dbraw/zinc/24/93/35/775249335.db2.gz YUJYYAGYZQFKHD-UKKRHICBSA-N 2 0 283.376 -1.042 20 0 CAADRP CN(CCNCc1nc(=O)n(C)[nH]1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001267469988 775249681 /nfs/dbraw/zinc/24/96/81/775249681.db2.gz RTHRVBBIILTZQQ-SNVBAGLBSA-N 2 0 296.375 -1.392 20 0 CAADRP C[NH+](C)CCN(C(=O)[C@H]1C[C@@H](O)C[NH2+]1)[C@@H]1CCC[NH2+]C1 ZINC001161447615 775283232 /nfs/dbraw/zinc/28/32/32/775283232.db2.gz YFQSGNNSONCMIC-JHJVBQTASA-N 3 0 284.404 -1.149 20 0 CAADRP C[NH+](C)CCN(C(=O)[C@H]1[NH2+]CC[C@H]1O)[C@H]1CCC[NH2+]C1 ZINC001161448504 775284411 /nfs/dbraw/zinc/28/44/11/775284411.db2.gz DGOWOADUQPHRRL-XQQFMLRXSA-N 3 0 284.404 -1.149 20 0 CAADRP NC(=O)C[NH2+]CCN(CCO)C(=O)C12CCC[NH+]1CCC2 ZINC001279753293 775288318 /nfs/dbraw/zinc/28/83/18/775288318.db2.gz GARJJSGCGSWFTG-UHFFFAOYSA-N 2 0 298.387 -1.489 20 0 CAADRP CC(C)N1CC(NC(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)C1 ZINC001220159161 775293618 /nfs/dbraw/zinc/29/36/18/775293618.db2.gz NCOIUOXDDAZKHE-ZDUSSCGKSA-N 2 0 283.420 -1.054 20 0 CAADRP N=c1cc(C[NH3+])ncn1C(=O)[C@]12C[NH2+]C[C@@H]1CCN2 ZINC001220020675 775294860 /nfs/dbraw/zinc/29/48/60/775294860.db2.gz RDWCSJZLWLTORC-UFBFGSQYSA-N 2 0 262.317 -1.587 20 0 CAADRP [NH3+]CCCC[C@H]([NH3+])CC(=O)N1C[C@H](O)C[C@@H]1CO ZINC001220481438 775297056 /nfs/dbraw/zinc/29/70/56/775297056.db2.gz HFYZLBAEMFGRBX-HBNTYKKESA-N 2 0 259.350 -1.213 20 0 CAADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)NCc1cn[nH]n1 ZINC001220329608 775297214 /nfs/dbraw/zinc/29/72/14/775297214.db2.gz UUZCFWACQNZWQS-SNVBAGLBSA-N 2 0 267.337 -1.829 20 0 CAADRP O=C(N[C@H]1CCC[NH2+]C1)[C@H]1COC2(C[NH2+]C2)CN1 ZINC001220884673 775298473 /nfs/dbraw/zinc/29/84/73/775298473.db2.gz KMAVKUQSVCFLKU-VHSXEESVSA-N 2 0 254.334 -1.815 20 0 CAADRP COC(=O)[C@@]12CC[NH2+][C@@H]1CN(C(=O)[C@H]1C[NH2+]C[C@@H]1N)CC2 ZINC001161476430 775298597 /nfs/dbraw/zinc/29/85/97/775298597.db2.gz AQEIQNUWZZABFF-KZWBYHQPSA-N 2 0 296.371 -1.713 20 0 CAADRP O=C(N[C@H]1CCC[NH2+]C1)[C@@H]1CCS(=O)(=O)C12C[NH2+]C2 ZINC001220885030 775298840 /nfs/dbraw/zinc/29/88/40/775298840.db2.gz WHRQTMUNVJOOET-UWVGGRQHSA-N 2 0 287.385 -1.369 20 0 CAADRP O=C(N[C@@H]1CCC[NH2+]C1)[C@@H]1COC2(C[NH2+]C2)CN1 ZINC001220884674 775299938 /nfs/dbraw/zinc/29/99/38/775299938.db2.gz KMAVKUQSVCFLKU-ZJUUUORDSA-N 2 0 254.334 -1.815 20 0 CAADRP O=C(N[C@H]1CCC[NH2+]C1)[C@H]1CCS(=O)(=O)C12C[NH2+]C2 ZINC001220885031 775300020 /nfs/dbraw/zinc/30/00/20/775300020.db2.gz WHRQTMUNVJOOET-VHSXEESVSA-N 2 0 287.385 -1.369 20 0 CAADRP COC(=O)[C@]12CC[NH2+][C@@H]1CN(C(=O)[C@H]1C[NH2+]C[C@@H]1N)CC2 ZINC001161476429 775300117 /nfs/dbraw/zinc/30/01/17/775300117.db2.gz AQEIQNUWZZABFF-DYNIEEOBSA-N 2 0 296.371 -1.713 20 0 CAADRP COC(=O)[C@]12CC[NH2+][C@@H]1CN(C(=O)[C@]1(N)CC[NH2+]C1)CC2 ZINC001161476447 775301848 /nfs/dbraw/zinc/30/18/48/775301848.db2.gz AWFGPIBSTIVXNX-SWHYSGLUSA-N 2 0 296.371 -1.569 20 0 CAADRP C[C@]1(C[NH3+])CCCN(C(=O)[C@@H]2COC3(C[NH2+]C3)CN2)C1 ZINC001161488229 775307569 /nfs/dbraw/zinc/30/75/69/775307569.db2.gz BFDLWBYCIKKUPT-WCQYABFASA-N 2 0 282.388 -1.096 20 0 CAADRP C[NH+](C)CCC(=O)N1CC(n2cc(CNCCO)nn2)C1 ZINC001105320806 775319550 /nfs/dbraw/zinc/31/95/50/775319550.db2.gz KIPYSKJWVOIVHO-UHFFFAOYSA-N 2 0 296.375 -1.305 20 0 CAADRP C[C@@H](CNC(=O)Cc1cncn1C)C[NH2+]CC(N)=O ZINC001268009598 775330508 /nfs/dbraw/zinc/33/05/08/775330508.db2.gz JCNCOHOFAABNOK-SECBINFHSA-N 2 0 267.333 -1.210 20 0 CAADRP C[C@H](CNC(=O)Cc1cncn1C)C[NH2+]CC(N)=O ZINC001268009599 775331121 /nfs/dbraw/zinc/33/11/21/775331121.db2.gz JCNCOHOFAABNOK-VIFPVBQESA-N 2 0 267.333 -1.210 20 0 CAADRP C[NH2+]CCN(C)S(=O)(=O)C[C@H]1C[NH2+]CCO1 ZINC000722228552 775345639 /nfs/dbraw/zinc/34/56/39/775345639.db2.gz FHMGBBPDHZEJQJ-SECBINFHSA-N 2 0 251.352 -1.544 20 0 CAADRP C[NH2+]CCN(C)S(=O)(=O)C[C@@H]1C[NH2+]CCO1 ZINC000722228554 775345870 /nfs/dbraw/zinc/34/58/70/775345870.db2.gz FHMGBBPDHZEJQJ-VIFPVBQESA-N 2 0 251.352 -1.544 20 0 CAADRP [NH3+][C@@H]1CN(C(=O)[C@@]23C[NH2+]C[C@@H]2CCN3)CC12COC2 ZINC001161508195 775349884 /nfs/dbraw/zinc/34/98/84/775349884.db2.gz BZSVJPLRLRYJMU-OPQQBVKSSA-N 2 0 266.345 -1.876 20 0 CAADRP CC[C@H](C)[C@H]([NH3+])C(=O)NCC(=O)N1C[C@H]([NH3+])C2(COC2)C1 ZINC001161510818 775351068 /nfs/dbraw/zinc/35/10/68/775351068.db2.gz SAAASAHZSARDTQ-NHCYSSNCSA-N 2 0 298.387 -1.338 20 0 CAADRP [NH3+]CCc1nnn(-c2nccnc2N2CC[NH2+]CC2)n1 ZINC001167787583 775359350 /nfs/dbraw/zinc/35/93/50/775359350.db2.gz CNKMETMPFWUBJY-UHFFFAOYSA-N 2 0 275.320 -1.637 20 0 CAADRP C[C@H]1CN(c2ccc(-n3nnc(CC[NH3+])n3)nn2)CC[NH2+]1 ZINC001167790718 775362384 /nfs/dbraw/zinc/36/23/84/775362384.db2.gz CVGOIQKZEIRRBO-VIFPVBQESA-N 2 0 289.347 -1.248 20 0 CAADRP [NH3+]CCc1nnn(-c2cnc(O[C@@H]3CC[NH2+]C3)nc2)n1 ZINC001167791461 775364118 /nfs/dbraw/zinc/36/41/18/775364118.db2.gz ZQSBCESFWRXRNY-SECBINFHSA-N 2 0 276.304 -1.306 20 0 CAADRP [NH3+]CCc1nnn(-c2cncc(N3CCC([NH3+])CC3)n2)n1 ZINC001167791677 775364626 /nfs/dbraw/zinc/36/46/26/775364626.db2.gz QVRWSHJRZPFSJL-UHFFFAOYSA-N 2 0 289.347 -1.119 20 0 CAADRP [NH3+]CCc1nnn(-c2ccc(OC3C[NH2+]C3)cn2)n1 ZINC001167792011 775365183 /nfs/dbraw/zinc/36/51/83/775365183.db2.gz PXFNOSMCJNLUFW-UHFFFAOYSA-N 2 0 261.289 -1.091 20 0 CAADRP [NH3+]CC(=O)N1CCC[C@H]1C(=O)N1CC[NH2+]C2(CC2)C1 ZINC001161550882 775371013 /nfs/dbraw/zinc/37/10/13/775371013.db2.gz SMNWTYSRSVBBLB-JTQLQIEISA-N 2 0 266.345 -1.100 20 0 CAADRP COCC[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001268294744 775392446 /nfs/dbraw/zinc/39/24/46/775392446.db2.gz AMRUCRRRKHYXSY-MNOVXSKESA-N 2 0 259.350 -1.206 20 0 CAADRP COCC[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001268294746 775393571 /nfs/dbraw/zinc/39/35/71/775393571.db2.gz AMRUCRRRKHYXSY-QWRGUYRKSA-N 2 0 259.350 -1.206 20 0 CAADRP O=C(NC[C@H](O)C[NH2+]CCO)[C@@H]1C[NH+]2CCC1CC2 ZINC001268308584 775396436 /nfs/dbraw/zinc/39/64/36/775396436.db2.gz QKMDUNDDRZBWIV-VXGBXAGGSA-N 2 0 271.361 -1.613 20 0 CAADRP O=C(NC[C@H](O)C[NH2+]CCO)[C@H]1C[NH+]2CCC1CC2 ZINC001268308581 775397246 /nfs/dbraw/zinc/39/72/46/775397246.db2.gz QKMDUNDDRZBWIV-NEPJUHHUSA-N 2 0 271.361 -1.613 20 0 CAADRP C[N@@H+]1CC[C@H](C(=O)NC[C@H](O)C[NH2+]CCCO)C1 ZINC001268335763 775408382 /nfs/dbraw/zinc/40/83/82/775408382.db2.gz OZVGFLALASIDEY-WDEREUQCSA-N 2 0 259.350 -1.613 20 0 CAADRP [NH3+]C[C@@]1(F)CCN(C(=O)[C@@H]2COC3(C[NH2+]C3)CN2)C1 ZINC001161239574 775415860 /nfs/dbraw/zinc/41/58/60/775415860.db2.gz MPAVMMRUZMFDJP-ONGXEEELSA-N 2 0 272.324 -1.784 20 0 CAADRP [NH3+]C[C@]1(F)CCN(C(=O)[C@@]23C[NH2+]C[C@H]2CCN3)C1 ZINC001161239450 775416565 /nfs/dbraw/zinc/41/65/65/775416565.db2.gz LTOSQSBMTNEXLM-YUSALJHKSA-N 2 0 256.325 -1.163 20 0 CAADRP CCN(CC[NH2+]CC(=O)NC(N)=O)C(=O)[C@H]1CCC[N@@H+]1C ZINC001268471827 775420483 /nfs/dbraw/zinc/42/04/83/775420483.db2.gz SMVHGQNBLNQXJW-SNVBAGLBSA-N 2 0 299.375 -1.286 20 0 CAADRP CCN(CC[NH2+]CC(N)=O)C(=O)[C@@H]1CN(CC)CCO1 ZINC001268500996 775424741 /nfs/dbraw/zinc/42/47/41/775424741.db2.gz UDLSWIPQDAYJIM-NSHDSACASA-N 2 0 286.376 -1.370 20 0 CAADRP CNC(=O)C[NH2+]C[C@H](C)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001268699516 775468881 /nfs/dbraw/zinc/46/88/81/775468881.db2.gz JFAPPPJGGBBFPM-VHSXEESVSA-N 2 0 256.350 -1.079 20 0 CAADRP C[C@@H](C[NH2+][C@@H]1CCNC1=O)NC(=O)CC[NH+](C)C ZINC001268700636 775470156 /nfs/dbraw/zinc/47/01/56/775470156.db2.gz MHHFEWNDDZQHQI-VHSXEESVSA-N 2 0 256.350 -1.079 20 0 CAADRP CN(CCC[NH2+]CC(N)=O)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001268947032 775481472 /nfs/dbraw/zinc/48/14/72/775481472.db2.gz YSRQIKZEDLEMNG-SNVBAGLBSA-N 2 0 256.350 -1.139 20 0 CAADRP CN(CC(=O)N1CC[C@H]2CN(CC[NH+](C)C)C[C@H]21)C(N)=[NH2+] ZINC001268997294 775482732 /nfs/dbraw/zinc/48/27/32/775482732.db2.gz YSUQQQASICYBJL-NWDGAFQWSA-N 2 0 296.419 -1.094 20 0 CAADRP CN(C[C@@H](O)C[NH2+]CCO)C(=O)C[N@H+](C)C1CCC1 ZINC001284414956 775492505 /nfs/dbraw/zinc/49/25/05/775492505.db2.gz AADZQWGJXXAYEB-LBPRGKRZSA-N 2 0 273.377 -1.128 20 0 CAADRP C[C@@H]1[C@H](C(=O)N[C@@H]2C[NH+](CCO)C[C@@H]2O)CC[N@@H+]1C ZINC001083473378 775697391 /nfs/dbraw/zinc/69/73/91/775697391.db2.gz YVTRNUBYHJBGDA-KKOKHZNYSA-N 2 0 271.361 -1.520 20 0 CAADRP O=C(N[C@@H]1C[N@H+](CCCO)C[C@H]1O)[C@@H]1C[NH+]2CCC1CC2 ZINC001077002859 775787712 /nfs/dbraw/zinc/78/77/12/775787712.db2.gz JSVHBETZCZRURG-MGPQQGTHSA-N 2 0 297.399 -1.128 20 0 CAADRP C[C@@H]1[C@H](C(=O)N[C@@H]2C[NH+](CCO)C[C@H]2O)CC[N@@H+]1C ZINC001077024941 775790780 /nfs/dbraw/zinc/79/07/80/775790780.db2.gz YVTRNUBYHJBGDA-DDHJBXDOSA-N 2 0 271.361 -1.520 20 0 CAADRP COCC[N@H+]1C[C@@H](NC(=O)Cn2cncc2C)[C@@H](O)C1 ZINC001083645071 775842632 /nfs/dbraw/zinc/84/26/32/775842632.db2.gz JSRCFXCVDYRUQB-NEPJUHHUSA-N 2 0 282.344 -1.001 20 0 CAADRP [NH3+]C[C@H]1C[C@H](NC(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)C1 ZINC001120541766 775878544 /nfs/dbraw/zinc/87/85/44/775878544.db2.gz BZSBXJBIHVLHNR-FIQHERPVSA-N 2 0 296.371 -1.883 20 0 CAADRP [NH3+][C@H]1C[C@H](CNC(=O)N2CCNCC[NH2+]CC2)C1 ZINC001120552944 775880151 /nfs/dbraw/zinc/88/01/51/775880151.db2.gz SABASLJKQZTYPN-XYPYZODXSA-N 2 0 255.366 -1.072 20 0 CAADRP C[NH2+][C@H](C)CCNC(=O)[C@@H]1CC(=O)N(C2C[NH2+]C2)C1 ZINC001121898438 775920118 /nfs/dbraw/zinc/92/01/18/775920118.db2.gz YZRQCFAYXXLRMQ-NXEZZACHSA-N 2 0 268.361 -1.079 20 0 CAADRP [NH3+]CCNCC(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC001121936470 775920403 /nfs/dbraw/zinc/92/04/03/775920403.db2.gz LMDSIIBXZJKZNA-VIFPVBQESA-N 2 0 297.325 -1.513 20 0 CAADRP C[C@H]1C[NH2+]CCN1C(=O)[C@@H]1CC(=O)N(C2C[NH2+]C2)C1 ZINC001121896521 775920682 /nfs/dbraw/zinc/92/06/82/775920682.db2.gz IBBJLYIEPPZVNW-VHSXEESVSA-N 2 0 266.345 -1.373 20 0 CAADRP C[C@@H]1C[NH2+]CCN1C(=O)[C@@H]1CC(=O)N(C2C[NH2+]C2)C1 ZINC001121896519 775921135 /nfs/dbraw/zinc/92/11/35/775921135.db2.gz IBBJLYIEPPZVNW-NXEZZACHSA-N 2 0 266.345 -1.373 20 0 CAADRP C[NH2+][C@@H](C)CCNC(=O)[C@H]1CC(=O)N(C2C[NH2+]C2)C1 ZINC001121898439 775921161 /nfs/dbraw/zinc/92/11/61/775921161.db2.gz YZRQCFAYXXLRMQ-UWVGGRQHSA-N 2 0 268.361 -1.079 20 0 CAADRP CN1CC[NH2+]C[C@H]1C(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC001122018077 775926110 /nfs/dbraw/zinc/92/61/10/775926110.db2.gz CUYAENMUGGZIKY-OLZOCXBDSA-N 2 0 281.404 -1.604 20 0 CAADRP CN1CC[NH2+]C[C@@H]1C(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC001122018076 775926666 /nfs/dbraw/zinc/92/66/66/775926666.db2.gz CUYAENMUGGZIKY-CHWSQXEVSA-N 2 0 281.404 -1.604 20 0 CAADRP C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)NC[C@H]1COCC[NH2+]1 ZINC001122090082 775934135 /nfs/dbraw/zinc/93/41/35/775934135.db2.gz RGWAJRDEUNGLLF-WOPDTQHZSA-N 2 0 268.361 -1.521 20 0 CAADRP [NH3+]C[C@@]1(C(=O)N[C@H]2COC3(C[NH2+]C3)C2)CCCOC1 ZINC001122142359 775935219 /nfs/dbraw/zinc/93/52/19/775935219.db2.gz ODJDGFSCPKYWMC-PWSUYJOCSA-N 2 0 269.345 -1.011 20 0 CAADRP CCN(CC[NH3+])C(=O)[C@@H]1CC(=O)N(C2C[NH2+]C2)C1 ZINC001122165273 775937898 /nfs/dbraw/zinc/93/78/98/775937898.db2.gz ADKGNAIYQSSWSC-SECBINFHSA-N 2 0 254.334 -1.386 20 0 CAADRP [NH3+]C[C@@H]1CC2(CO1)CCN(C(=O)C1(O)C[NH2+]C1)CC2 ZINC001122289342 775943838 /nfs/dbraw/zinc/94/38/38/775943838.db2.gz YCHYFNROYAOXHT-JTQLQIEISA-N 2 0 269.345 -1.323 20 0 CAADRP [NH3+]C[C@H]1CC2(CO1)CCN(C(=O)C1(O)C[NH2+]C1)CC2 ZINC001122289385 775944419 /nfs/dbraw/zinc/94/44/19/775944419.db2.gz YCHYFNROYAOXHT-SNVBAGLBSA-N 2 0 269.345 -1.323 20 0 CAADRP C[C@H]1C[C@@H](C(=O)N[C@@H]2C[NH+](CCO)C[C@@H]2O)CC[N@@H+]1C ZINC001083728108 775952781 /nfs/dbraw/zinc/95/27/81/775952781.db2.gz GFKVEHLVFMUOCN-RVMXOQNASA-N 2 0 285.388 -1.130 20 0 CAADRP C[C@H](O)C[N@H+]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001083749581 775975784 /nfs/dbraw/zinc/97/57/84/775975784.db2.gz HICHZHIGCMDIEC-UHTWSYAYSA-N 2 0 285.388 -1.130 20 0 CAADRP NC(=O)C[NH2+]CCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001127473925 775985336 /nfs/dbraw/zinc/98/53/36/775985336.db2.gz DOCYPXQMQUPAGP-JTQLQIEISA-N 2 0 254.334 -1.481 20 0 CAADRP CNC(=O)C[NH2+]CCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001127474535 775986230 /nfs/dbraw/zinc/98/62/30/775986230.db2.gz NMIBOIPDJXRYBF-LLVKDONJSA-N 2 0 268.361 -1.220 20 0 CAADRP C[C@H]([NH2+]CCNC(=O)[C@H]1C[NH+]2CCC1CC2)C(N)=O ZINC001127466505 775986553 /nfs/dbraw/zinc/98/65/53/775986553.db2.gz QHPOULOXNOWPEG-ONGXEEELSA-N 2 0 268.361 -1.092 20 0 CAADRP C[NH+](C)CCn1ccc(C(=O)NCC[NH2+]CC(N)=O)n1 ZINC001127558105 775992932 /nfs/dbraw/zinc/99/29/32/775992932.db2.gz DACHWXHQSUDIGF-UHFFFAOYSA-N 2 0 282.348 -1.751 20 0 CAADRP C[N@@H+]1CCC[C@@H]1C(=O)NCC[NH2+]CCN1C(=O)CNC1=O ZINC001124879586 776015173 /nfs/dbraw/zinc/01/51/73/776015173.db2.gz WVPNGNOGNRPHNQ-SNVBAGLBSA-N 2 0 297.359 -1.662 20 0 CAADRP C[N@@H+]1CCC[C@@H]1C(=O)NCC[NH2+][C@H]1CCC(=O)NC1=O ZINC001124877364 776016632 /nfs/dbraw/zinc/01/66/32/776016632.db2.gz GNZFKPREYWQUBG-VHSXEESVSA-N 2 0 282.344 -1.408 20 0 CAADRP C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2C[NH+](CCCO)C[C@@H]2O)C1 ZINC001083781623 776021020 /nfs/dbraw/zinc/02/10/20/776021020.db2.gz PCNOPGYAFZURTQ-UPJWGTAASA-N 2 0 285.388 -1.128 20 0 CAADRP [NH3+]CCS(=O)(=O)NC[C@H]1CO[C@@]2(C1)C[NH2+]CCOC2 ZINC001238328694 776029397 /nfs/dbraw/zinc/02/93/97/776029397.db2.gz TUDDUMBIVKODEL-QWRGUYRKSA-N 2 0 293.389 -1.740 20 0 CAADRP CCOC(=O)C1=C(NS(=O)(=O)CC[NH3+])CC[NH2+]C1 ZINC001238624679 776033576 /nfs/dbraw/zinc/03/35/76/776033576.db2.gz BURKKYZNTADKTR-UHFFFAOYSA-N 2 0 277.346 -1.325 20 0 CAADRP CN(C)C(=O)C[NH2+]CCNC(=O)[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001127779579 776039992 /nfs/dbraw/zinc/03/99/92/776039992.db2.gz OHBYDTDWVCGDRA-RYUDHWBXSA-N 2 0 298.387 -1.356 20 0 CAADRP CNC(=O)C[NH2+]CCNC(=O)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001127778429 776040566 /nfs/dbraw/zinc/04/05/66/776040566.db2.gz DUISSKIRMREXKI-GHMZBOCLSA-N 2 0 284.360 -1.699 20 0 CAADRP O=C(NCC[NH2+]CCCO)[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001127760622 776041079 /nfs/dbraw/zinc/04/10/79/776041079.db2.gz NXRCFYCWRLAYGT-RYUDHWBXSA-N 2 0 271.361 -1.062 20 0 CAADRP NC(=O)C[NH2+]CCNC(=O)[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001127777751 776041094 /nfs/dbraw/zinc/04/10/94/776041094.db2.gz BNMWKLJPCVZCMB-UWVGGRQHSA-N 2 0 270.333 -1.959 20 0 CAADRP CNC(=O)C[NH2+]CCNC(=O)[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001127778431 776041462 /nfs/dbraw/zinc/04/14/62/776041462.db2.gz DUISSKIRMREXKI-QWRGUYRKSA-N 2 0 284.360 -1.699 20 0 CAADRP CN(C)C(=O)C[NH2+]CCNC(=O)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001127779577 776041954 /nfs/dbraw/zinc/04/19/54/776041954.db2.gz OHBYDTDWVCGDRA-NEPJUHHUSA-N 2 0 298.387 -1.356 20 0 CAADRP C[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CCO)C[C@H]2O)CC1 ZINC001077618256 776047746 /nfs/dbraw/zinc/04/77/46/776047746.db2.gz DBAZRNNSAZQCEU-VXGBXAGGSA-N 2 0 271.361 -1.518 20 0 CAADRP C[C@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001077618397 776048146 /nfs/dbraw/zinc/04/81/46/776048146.db2.gz HICHZHIGCMDIEC-CYZMBNFOSA-N 2 0 285.388 -1.130 20 0 CAADRP O=C(NCC[NH2+]CCO)[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001127786303 776048678 /nfs/dbraw/zinc/04/86/78/776048678.db2.gz XWTHZGOJEKAUMQ-QWRGUYRKSA-N 2 0 257.334 -1.452 20 0 CAADRP O=C(NCC[NH2+]CCO)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001127786302 776048826 /nfs/dbraw/zinc/04/88/26/776048826.db2.gz XWTHZGOJEKAUMQ-MNOVXSKESA-N 2 0 257.334 -1.452 20 0 CAADRP O=S(=O)([C@H]1CC[NH2+]C1)N1CCNC[C@]12CC[NH2+]C2 ZINC001239028337 776052198 /nfs/dbraw/zinc/05/21/98/776052198.db2.gz YGSOOIGOGCIZBF-WDEREUQCSA-N 2 0 274.390 -1.685 20 0 CAADRP O=S(=O)(C1CC[NH2+]CC1)N1CCNC[C@]12CC[NH2+]C2 ZINC001239026456 776053466 /nfs/dbraw/zinc/05/34/66/776053466.db2.gz QCBRQDKWQMNVIJ-GFCCVEGCSA-N 2 0 288.417 -1.295 20 0 CAADRP O=S(=O)(CC1CC[NH2+]CC1)N1CCO[C@H]2C[NH2+]C[C@H]21 ZINC001239049186 776053894 /nfs/dbraw/zinc/05/38/94/776053894.db2.gz UBRMAUDFVSKMGV-NEPJUHHUSA-N 2 0 289.401 -1.012 20 0 CAADRP O=S(=O)(C1CC[NH2+]CC1)N1CCNC[C@@]12CC[NH2+]C2 ZINC001239026458 776054071 /nfs/dbraw/zinc/05/40/71/776054071.db2.gz QCBRQDKWQMNVIJ-LBPRGKRZSA-N 2 0 288.417 -1.295 20 0 CAADRP C[C@H]1CC[N@H+](CC(=O)N[C@@H]2C[NH+](CCCO)C[C@H]2O)C1 ZINC001077679342 776057602 /nfs/dbraw/zinc/05/76/02/776057602.db2.gz PCNOPGYAFZURTQ-YNEHKIRRSA-N 2 0 285.388 -1.128 20 0 CAADRP C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2C[NH+](CCCO)C[C@H]2O)C1 ZINC001077679341 776059230 /nfs/dbraw/zinc/05/92/30/776059230.db2.gz PCNOPGYAFZURTQ-JHJVBQTASA-N 2 0 285.388 -1.128 20 0 CAADRP [NH3+]CCCNC(=O)CN(CCC[NH3+])C(=S)NCC[NH3+] ZINC001239452175 776074638 /nfs/dbraw/zinc/07/46/38/776074638.db2.gz NYJAPANOWSFVPM-UHFFFAOYSA-N 3 0 290.437 -2.065 20 0 CAADRP Cn1cncc1[C@@H]1C[C@H]1C(=O)N[C@@H]1C[N@H+](CCO)C[C@@H]1O ZINC001083789465 776074914 /nfs/dbraw/zinc/07/49/14/776074914.db2.gz CICJTIQCGLWKFS-UZWSLXQKSA-N 2 0 294.355 -1.323 20 0 CAADRP C[C@@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001078010617 776111149 /nfs/dbraw/zinc/11/11/49/776111149.db2.gz CNKLWZOCOHNFNF-IJLUTSLNSA-N 2 0 283.372 -1.376 20 0 CAADRP C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2C[NH+](CCCO)C[C@H]2O)C1 ZINC001078007608 776111894 /nfs/dbraw/zinc/11/18/94/776111894.db2.gz VWOMKZUQODURLS-YNEHKIRRSA-N 2 0 285.388 -1.128 20 0 CAADRP C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2C[NH+](CCO)C[C@H]2O)C1 ZINC001078007727 776112117 /nfs/dbraw/zinc/11/21/17/776112117.db2.gz YFCJJEMXLOMOFM-IJLUTSLNSA-N 2 0 271.361 -1.518 20 0 CAADRP CS(=O)(=O)N(CC[NH3+])c1nccc(C2C[NH2+]C2)n1 ZINC001162127591 776190050 /nfs/dbraw/zinc/19/00/50/776190050.db2.gz ZKZMXVIRFDKGLB-UHFFFAOYSA-N 2 0 271.346 -1.112 20 0 CAADRP CC[NH+](CC)CC(=O)NCCC[NH2+]CC(=O)NC(N)=O ZINC001168755050 776227582 /nfs/dbraw/zinc/22/75/82/776227582.db2.gz GGPCAFLRAYWAQO-UHFFFAOYSA-N 2 0 287.364 -1.381 20 0 CAADRP C[C@@H]([NH3+])[C@H]1CN(CC(=O)N2CC[NH2+]CC2)CCO1 ZINC001118260732 776282513 /nfs/dbraw/zinc/28/25/13/776282513.db2.gz HFHLLQYKCLUFGO-GHMZBOCLSA-N 2 0 256.350 -1.534 20 0 CAADRP C[C@H]([NH3+])[C@@H]1CN(CC(=O)N2CC[NH2+]CC2)CCO1 ZINC001118260734 776282724 /nfs/dbraw/zinc/28/27/24/776282724.db2.gz HFHLLQYKCLUFGO-QWRGUYRKSA-N 2 0 256.350 -1.534 20 0 CAADRP C[C@@H]([NH3+])CNC(=O)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC001118486190 776320332 /nfs/dbraw/zinc/32/03/32/776320332.db2.gz LFVSSVPYPSEVHU-ZYHUDNBSSA-N 2 0 298.387 -1.181 20 0 CAADRP CO[C@@H]1C[N@H+](CCO)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001082370264 776412648 /nfs/dbraw/zinc/41/26/48/776412648.db2.gz ZLYCFZZBUSNERA-IJLUTSLNSA-N 2 0 271.361 -1.254 20 0 CAADRP C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2C[NH+](CCCO)C[C@@H]2O)C1 ZINC001083955081 776438592 /nfs/dbraw/zinc/43/85/92/776438592.db2.gz VWOMKZUQODURLS-XQQFMLRXSA-N 2 0 285.388 -1.128 20 0 CAADRP C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2C[NH+](CCO)C[C@@H]2O)C1 ZINC001083955139 776438613 /nfs/dbraw/zinc/43/86/13/776438613.db2.gz YFCJJEMXLOMOFM-TUAOUCFPSA-N 2 0 271.361 -1.518 20 0 CAADRP C[C@@H]1CN(C)C[C@H](C(=O)NC[C@H]2C[C@@H]([NH2+]CC(N)=O)C2)O1 ZINC001086120374 776499577 /nfs/dbraw/zinc/49/95/77/776499577.db2.gz XAYGGRSKAJOKNC-WISYIIOYSA-N 2 0 298.387 -1.325 20 0 CAADRP C[N@@H+]1CC[C@H](C(=O)NC[C@H]2C[C@@H]([NH2+]CC(N)=O)C2)C1 ZINC001086271812 776504821 /nfs/dbraw/zinc/50/48/21/776504821.db2.gz LTGIOMOHOHSETF-GARJFASQSA-N 2 0 268.361 -1.092 20 0 CAADRP CCNC(=O)C[NH2+]CCCNC(=O)[C@H]1CN(C)CCO1 ZINC001156145212 776512941 /nfs/dbraw/zinc/51/29/41/776512941.db2.gz KDQHNZGIUKCKOO-LLVKDONJSA-N 2 0 286.376 -1.451 20 0 CAADRP CN1CCO[C@H](C(=O)NCCC[NH2+][C@H]2CCCNC2=O)C1 ZINC001156145518 776513016 /nfs/dbraw/zinc/51/30/16/776513016.db2.gz MOZWHBLCYYXHJP-RYUDHWBXSA-N 2 0 298.387 -1.309 20 0 CAADRP CN1CCO[C@@H](C(=O)NCCC[NH2+]CC(=O)NC2CC2)C1 ZINC001156144193 776513243 /nfs/dbraw/zinc/51/32/43/776513243.db2.gz BDRMPWZAWIUNTL-GFCCVEGCSA-N 2 0 298.387 -1.309 20 0 CAADRP CN1CC[C@@H]([NH2+]CCCNC(=O)[C@H]2CN(C)CCO2)C1=O ZINC001156124920 776513264 /nfs/dbraw/zinc/51/32/64/776513264.db2.gz BPGCFUCNWVRFJZ-VXGBXAGGSA-N 2 0 298.387 -1.356 20 0 CAADRP C[C@@H]([NH2+]CCCNC(=O)[C@H]1CN(C)CCO1)C(N)=O ZINC001156125920 776513323 /nfs/dbraw/zinc/51/33/23/776513323.db2.gz QJMVORKJGFKCHJ-NXEZZACHSA-N 2 0 272.349 -1.713 20 0 CAADRP CNC(=O)C[NH2+]CCCNC(=O)[C@@H]1CN(C)CCO1 ZINC001156145205 776513894 /nfs/dbraw/zinc/51/38/94/776513894.db2.gz KBWPLYDHWIYECE-JTQLQIEISA-N 2 0 272.349 -1.841 20 0 CAADRP C[C@@H]([NH2+]CCCNC(=O)[C@@H]1CN(C)CCO1)C(N)=O ZINC001156125923 776514173 /nfs/dbraw/zinc/51/41/73/776514173.db2.gz QJMVORKJGFKCHJ-ZJUUUORDSA-N 2 0 272.349 -1.713 20 0 CAADRP CN1CC[C@H]([NH2+]CCCNC(=O)[C@@H]2CN(C)CCO2)C1=O ZINC001156124919 776514308 /nfs/dbraw/zinc/51/43/08/776514308.db2.gz BPGCFUCNWVRFJZ-RYUDHWBXSA-N 2 0 298.387 -1.356 20 0 CAADRP CN1CC[C@H]([NH2+]CCCNC(=O)[C@H]2CN(C)CCO2)C1=O ZINC001156124918 776514332 /nfs/dbraw/zinc/51/43/32/776514332.db2.gz BPGCFUCNWVRFJZ-NWDGAFQWSA-N 2 0 298.387 -1.356 20 0 CAADRP [NH3+]Cc1nnnn1-c1ncccc1N1CC[NH2+]CC1 ZINC001168918439 776517877 /nfs/dbraw/zinc/51/78/77/776517877.db2.gz DBNUAOXXHNHDFM-UHFFFAOYSA-N 2 0 260.305 -1.074 20 0 CAADRP [NH3+]Cc1nnnn1-c1nccc(N2CC[NH2+]CC2)n1 ZINC001168918263 776518103 /nfs/dbraw/zinc/51/81/03/776518103.db2.gz TUCOEBOQFBVQHC-UHFFFAOYSA-N 2 0 261.293 -1.679 20 0 CAADRP CN(c1ncnc2c1CC[NH2+]CC2)S(=O)(=O)CC[NH3+] ZINC001156231952 776518113 /nfs/dbraw/zinc/51/81/13/776518113.db2.gz RLKYWNGNEXMZLO-UHFFFAOYSA-N 2 0 285.373 -1.111 20 0 CAADRP CN(c1ncc2c(n1)CC[NH2+]C2)S(=O)(=O)CC[NH3+] ZINC001156231869 776518397 /nfs/dbraw/zinc/51/83/97/776518397.db2.gz PUYNHKIRIUSIEN-UHFFFAOYSA-N 2 0 271.346 -1.153 20 0 CAADRP CN(c1ncnc2c1CC[NH2+]C2)S(=O)(=O)CC[NH3+] ZINC001156231866 776518606 /nfs/dbraw/zinc/51/86/06/776518606.db2.gz PNZHWZQPWPTZCW-UHFFFAOYSA-N 2 0 271.346 -1.153 20 0 CAADRP COc1c(C2C[NH2+]C2)ncnc1-n1nnnc1C[NH3+] ZINC001168921185 776518666 /nfs/dbraw/zinc/51/86/66/776518666.db2.gz UCOLJYUWHTUHOY-UHFFFAOYSA-N 2 0 262.277 -1.394 20 0 CAADRP [NH3+]Cc1cnnn1-c1nccc(N2CC[NH2+]CC2)n1 ZINC001169303679 776524199 /nfs/dbraw/zinc/52/41/99/776524199.db2.gz BRKJSVTXDRLGKN-UHFFFAOYSA-N 2 0 260.305 -1.074 20 0 CAADRP CC(=O)N1CC[C@@H]([NH2+]CCN(CC[NH3+])N(O)N=O)C1 ZINC001169513483 776530682 /nfs/dbraw/zinc/53/06/82/776530682.db2.gz NFWWIIFIIKZXAI-SNVBAGLBSA-N 2 0 274.325 -1.255 20 0 CAADRP CNC(=O)NC(=O)C[NH2+]CCNC(=O)C1([NH+](C)C)CCC1 ZINC001129356165 776540762 /nfs/dbraw/zinc/54/07/62/776540762.db2.gz CSIXDGRBEOFYHV-UHFFFAOYSA-N 2 0 299.375 -1.368 20 0 CAADRP C[C@H](O)C[NH2+]CCNC(=O)[C@H](Cn1cccn1)N(C)C ZINC001129384968 776549377 /nfs/dbraw/zinc/54/93/77/776549377.db2.gz BHFZWZLHDDSVDH-RYUDHWBXSA-N 2 0 283.376 -1.100 20 0 CAADRP CC(C)[N@H+](C)CC(=O)N[C@@H]1CC[NH+](CCO)C[C@H]1O ZINC001100132506 776552939 /nfs/dbraw/zinc/55/29/39/776552939.db2.gz UYUHOZYPSSDPAT-VXGBXAGGSA-N 2 0 273.377 -1.130 20 0 CAADRP [NH3+]CC(=O)NCC(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000062973177 776554350 /nfs/dbraw/zinc/55/43/50/776554350.db2.gz GAXAFOIJSOQKMB-SNVBAGLBSA-N 2 0 254.334 -1.242 20 0 CAADRP Cc1cnc(-n2nnc(CC[NH3+])n2)nc1C1C[NH2+]C1 ZINC001156990246 776554955 /nfs/dbraw/zinc/55/49/55/776554955.db2.gz YEMHIJYAFVSQDZ-UHFFFAOYSA-N 2 0 260.305 -1.051 20 0 CAADRP CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H]1C[NH2+]CC[C@H]1O ZINC001157323466 776572190 /nfs/dbraw/zinc/57/21/90/776572190.db2.gz RDHACKYIBHUEEZ-OUAUKWLOSA-N 2 0 286.376 -1.683 20 0 CAADRP CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H]1C[NH2+]CC[C@H]1O ZINC001157323465 776572426 /nfs/dbraw/zinc/57/24/26/776572426.db2.gz RDHACKYIBHUEEZ-GARJFASQSA-N 2 0 286.376 -1.683 20 0 CAADRP CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001157323483 776572486 /nfs/dbraw/zinc/57/24/86/776572486.db2.gz ROEFTGIJTFTZSI-QWRGUYRKSA-N 3 0 297.403 -1.845 20 0 CAADRP CCOC(=O)CC1([NH3+])CCN(C(=O)[C@@H]2C[NH2+]C[C@@H]2O)CC1 ZINC001157448879 776576803 /nfs/dbraw/zinc/57/68/03/776576803.db2.gz NRCQOQDICLWIOZ-MNOVXSKESA-N 2 0 299.371 -1.160 20 0 CAADRP CCOC(=O)CC1([NH3+])CCN(C(=O)[C@@H]2C[NH2+]C[C@H]2O)CC1 ZINC001157448878 776577929 /nfs/dbraw/zinc/57/79/29/776577929.db2.gz NRCQOQDICLWIOZ-GHMZBOCLSA-N 2 0 299.371 -1.160 20 0 CAADRP CCOC(=O)CC1([NH3+])CCN(C(=O)[C@H]2C[NH2+]C[C@@H]2O)CC1 ZINC001157448880 776577935 /nfs/dbraw/zinc/57/79/35/776577935.db2.gz NRCQOQDICLWIOZ-QWRGUYRKSA-N 2 0 299.371 -1.160 20 0 CAADRP [NH3+][C@H]1CN(C(=O)CN2CCCC[C@H]([NH3+])C2=O)C[C@H]1F ZINC001157538045 776584112 /nfs/dbraw/zinc/58/41/12/776584112.db2.gz GVCLXHVOAUABSE-UTLUCORTSA-N 2 0 272.324 -1.166 20 0 CAADRP [NH3+][C@H]1CN(C(=O)[C@@H]2CNC(=O)C23CC[NH2+]CC3)C[C@H]1F ZINC001157536704 776584802 /nfs/dbraw/zinc/58/48/02/776584802.db2.gz ONZFWYDHBDQBTO-AEJSXWLSSA-N 2 0 284.335 -1.390 20 0 CAADRP NC(=O)NCCC[C@@H]([NH3+])C(=O)N1C[C@@H](F)[C@@H]([NH3+])C1 ZINC001157535620 776585129 /nfs/dbraw/zinc/58/51/29/776585129.db2.gz CTDWSPDRUWFAHJ-PRJMDXOYSA-N 2 0 261.301 -1.730 20 0 CAADRP CN(C[C@H]1C[NH2+]CCO1)C(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001157717329 776599947 /nfs/dbraw/zinc/59/99/47/776599947.db2.gz ZHXPJPZIKWKZPT-YRGRVCCFSA-N 3 0 282.388 -1.368 20 0 CAADRP COC(=O)[C@@]1(F)CCN(C(=O)[C@@H]2C[C@@H]([NH3+])CN2)C1 ZINC001157717337 776600211 /nfs/dbraw/zinc/60/02/11/776600211.db2.gz ZNGSWDGLGHBUAV-VHSKPIJISA-N 2 0 259.281 -1.211 20 0 CAADRP C[NH+](C)[C@H](C(=O)NCC[NH2+][C@@H]1CCNC1=O)C1CC1 ZINC001129436543 776620544 /nfs/dbraw/zinc/62/05/44/776620544.db2.gz QUUPCZKGIVINPV-MNOVXSKESA-N 2 0 268.361 -1.079 20 0 CAADRP [NH3+][C@@H](C(=O)N1CC(=O)N(C2CC2)C(=O)C1)C1CC[NH2+]CC1 ZINC001157863442 776620860 /nfs/dbraw/zinc/62/08/60/776620860.db2.gz YILWRLINVJFZDI-CYBMUJFWSA-N 2 0 294.355 -1.327 20 0 CAADRP C[NH+](C)[C@H](C(=O)NCC[NH2+]CC(=O)NC(N)=O)C1CC1 ZINC001129435075 776621095 /nfs/dbraw/zinc/62/10/95/776621095.db2.gz AKKLNUVZTUPQPQ-JTQLQIEISA-N 2 0 285.348 -1.773 20 0 CAADRP C[C@H]([NH2+]CCNC(=O)[C@@H](C1CC1)[NH+](C)C)C(=O)NC(N)=O ZINC001129448624 776621251 /nfs/dbraw/zinc/62/12/51/776621251.db2.gz DDCVMGATUJRWQV-WCBMZHEXSA-N 2 0 299.375 -1.384 20 0 CAADRP CNC(=O)NC(=O)C[NH2+]CCNC(=O)C[N@H+](C)C1CCC1 ZINC001129532114 776621758 /nfs/dbraw/zinc/62/17/58/776621758.db2.gz RHFJETLJGJLNMH-UHFFFAOYSA-N 2 0 299.375 -1.368 20 0 CAADRP C[NH+](C)[C@@H](C(=O)NCC[NH2+][C@@H]1CCNC1=O)C1CC1 ZINC001129436542 776621509 /nfs/dbraw/zinc/62/15/09/776621509.db2.gz QUUPCZKGIVINPV-GHMZBOCLSA-N 2 0 268.361 -1.079 20 0 CAADRP C[NH+](C)[C@H](C(=O)NCC[NH2+][C@@H]1CCC(=O)NC1=O)C1CC1 ZINC001129435783 776621556 /nfs/dbraw/zinc/62/15/56/776621556.db2.gz IXZRGASGRCHVMS-PWSUYJOCSA-N 2 0 296.371 -1.162 20 0 CAADRP CNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001129435547 776621614 /nfs/dbraw/zinc/62/16/14/776621614.db2.gz HIRBJEMDNYKMGJ-LLVKDONJSA-N 2 0 299.375 -1.512 20 0 CAADRP C[C@@H]([NH2+]CCNC(=O)[C@@H](C1CC1)[NH+](C)C)C(=O)NC(N)=O ZINC001129448622 776621731 /nfs/dbraw/zinc/62/17/31/776621731.db2.gz DDCVMGATUJRWQV-PSASIEDQSA-N 2 0 299.375 -1.384 20 0 CAADRP C[N@@H+]1CCC[C@@H]1CCC(=O)NCC[NH2+]CC(=O)NC(N)=O ZINC001129841437 776629364 /nfs/dbraw/zinc/62/93/64/776629364.db2.gz NFROZKCCFQDAGL-SNVBAGLBSA-N 2 0 299.375 -1.239 20 0 CAADRP CC[C@H](C(=O)NCC[NH2+][C@@H](C)C(=O)NC(N)=O)[NH+](C)C ZINC001130200231 776646431 /nfs/dbraw/zinc/64/64/31/776646431.db2.gz GSKXMNWEFRYDDE-DTWKUNHWSA-N 2 0 287.364 -1.384 20 0 CAADRP CC[C@H](C(=O)NCC[NH2+]CCN1C(=O)CNC1=O)[NH+](C)C ZINC001130205460 776646528 /nfs/dbraw/zinc/64/65/28/776646528.db2.gz MHIHPKXIDZPKEJ-SNVBAGLBSA-N 2 0 299.375 -1.416 20 0 CAADRP CC[C@H](C(=O)NCC[NH2+][C@H](C)C(=O)NC(N)=O)[NH+](C)C ZINC001130200233 776646806 /nfs/dbraw/zinc/64/68/06/776646806.db2.gz GSKXMNWEFRYDDE-RKDXNWHRSA-N 2 0 287.364 -1.384 20 0 CAADRP CC[C@H](C(=O)NCC[NH2+][C@@H]1CCC(=O)NC1=O)[NH+](C)C ZINC001130203710 776646941 /nfs/dbraw/zinc/64/69/41/776646941.db2.gz UMRQCCIULYADFQ-NXEZZACHSA-N 2 0 284.360 -1.162 20 0 CAADRP C[C@@H]([NH2+]CCNC(=O)[C@@H]1CCCC[N@@H+]1C)C(=O)NC(N)=O ZINC001130306283 776647835 /nfs/dbraw/zinc/64/78/35/776647835.db2.gz UQMSALGCIKBFCL-ZJUUUORDSA-N 2 0 299.375 -1.240 20 0 CAADRP [NH3+]CCSC[C@H]([NH3+])C(=O)N1CC[C@H](O)[C@H](CO)C1 ZINC001157934611 776647846 /nfs/dbraw/zinc/64/78/46/776647846.db2.gz MPSXVPODBGRXDM-GUBZILKMSA-N 2 0 277.390 -1.793 20 0 CAADRP [NH3+]CCSC[C@H]([NH3+])C(=O)N1CC[C@H](O)[C@@H](CO)C1 ZINC001157934614 776648330 /nfs/dbraw/zinc/64/83/30/776648330.db2.gz MPSXVPODBGRXDM-UTLUCORTSA-N 2 0 277.390 -1.793 20 0 CAADRP C[C@H]([NH2+]CCNC(=O)[C@H]1CCCC[N@@H+]1C)C(=O)NC(N)=O ZINC001130306282 776648434 /nfs/dbraw/zinc/64/84/34/776648434.db2.gz UQMSALGCIKBFCL-VHSXEESVSA-N 2 0 299.375 -1.240 20 0 CAADRP C[N@@H+]1CCCC[C@@H]1C(=O)NCC[NH2+][C@H]1CCC(=O)NC1=O ZINC001130299904 776649167 /nfs/dbraw/zinc/64/91/67/776649167.db2.gz DFQOPJZDLIFFOR-WDEREUQCSA-N 2 0 296.371 -1.018 20 0 CAADRP C[N@@H+]1CCCC[C@H]1C(=O)NCC[NH2+][C@H]1CCC(=O)NC1=O ZINC001130299903 776649304 /nfs/dbraw/zinc/64/93/04/776649304.db2.gz DFQOPJZDLIFFOR-QWRGUYRKSA-N 2 0 296.371 -1.018 20 0 CAADRP C[N@@H+]1CCCC[C@@H]1C(=O)NCC[NH2+][C@@H]1CCC(=O)NC1=O ZINC001130299901 776649311 /nfs/dbraw/zinc/64/93/11/776649311.db2.gz DFQOPJZDLIFFOR-GHMZBOCLSA-N 2 0 296.371 -1.018 20 0 CAADRP [NH3+]CCSC[C@H]([NH3+])C(=O)N1CC[C@@H](O)[C@H](CO)C1 ZINC001157934613 776649328 /nfs/dbraw/zinc/64/93/28/776649328.db2.gz MPSXVPODBGRXDM-LPEHRKFASA-N 2 0 277.390 -1.793 20 0 CAADRP C[C@@]1(CO)CCN(C(=O)[C@@H]([NH3+])CSCC[NH3+])C[C@H]1O ZINC001157944285 776649947 /nfs/dbraw/zinc/64/99/47/776649947.db2.gz JKEPDVXDKMOGSD-UMNHJUIQSA-N 2 0 291.417 -1.403 20 0 CAADRP C[C@]1(CO)CN(C(=O)[C@@H]([NH3+])CSCC[NH3+])CC[C@@H]1O ZINC001157945824 776653354 /nfs/dbraw/zinc/65/33/54/776653354.db2.gz LVIXQTKYMSSBQA-JBLDHEPKSA-N 2 0 291.417 -1.403 20 0 CAADRP C[C@@]1(CO)CN(C(=O)[C@@H]([NH3+])CSCC[NH3+])CC[C@H]1O ZINC001157945842 776653438 /nfs/dbraw/zinc/65/34/38/776653438.db2.gz LVIXQTKYMSSBQA-UMNHJUIQSA-N 2 0 291.417 -1.403 20 0 CAADRP [NH3+]Cc1nnnn1-c1ccc(N2CC[NH2+]CC2)cn1 ZINC001158077124 776672594 /nfs/dbraw/zinc/67/25/94/776672594.db2.gz OYJGBBSPFVSDBB-UHFFFAOYSA-N 2 0 260.305 -1.074 20 0 CAADRP O=C([C@H]1C[NH2+]CC12C[NH2+]C2)N1CC(=O)NC[C@@]12CC[NH2+]C2 ZINC001158093980 776674164 /nfs/dbraw/zinc/67/41/64/776674164.db2.gz ZCLSAPGXLXVCNZ-YGRLFVJLSA-N 3 0 293.371 -2.514 20 0 CAADRP CC(C)(C)OC[C@H]([NH3+])C(=O)N1CC(=O)NC[C@]12CC[NH2+]C2 ZINC001158100759 776674407 /nfs/dbraw/zinc/67/44/07/776674407.db2.gz BRDQMZBIGVFFIW-IINYFYTJSA-N 2 0 298.387 -1.181 20 0 CAADRP NC(=O)C[NH2+]CCNC(=O)C12CCC[NH+]1CCC2 ZINC001130805774 776675628 /nfs/dbraw/zinc/67/56/28/776675628.db2.gz MEFOODGSKMDQEM-UHFFFAOYSA-N 2 0 254.334 -1.194 20 0 CAADRP NC1(C(=O)N2CCO[C@@H]3C[NH2+]C[C@@H]3C2)CC[NH2+]CC1 ZINC001158166684 776679029 /nfs/dbraw/zinc/67/90/29/776679029.db2.gz BVCLQILGRHWLHH-GHMZBOCLSA-N 2 0 268.361 -1.486 20 0 CAADRP [NH3+]CC12CC(C1)CN2C(=O)[C@@H]1COC2(C[NH2+]C2)CN1 ZINC001158187450 776680795 /nfs/dbraw/zinc/68/07/95/776680795.db2.gz QFWMXULABBVJAD-YZRBJQDESA-N 2 0 266.345 -1.734 20 0 CAADRP [NH3+]C[C@H](O)CC(=O)N1Cc2ncnn2C2(CC[NH2+]CC2)C1 ZINC001158260827 776686789 /nfs/dbraw/zinc/68/67/89/776686789.db2.gz IDOLNXOMIIBCHU-SNVBAGLBSA-N 2 0 294.359 -1.591 20 0 CAADRP C[C@H](O)C[NH2+]CCNC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001131520482 776693151 /nfs/dbraw/zinc/69/31/51/776693151.db2.gz ZBBBQIOKCSZSLS-ATWGWHJKSA-N 2 0 283.372 -1.064 20 0 CAADRP C[C@@H](O)C[NH2+]CCNC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001131520484 776693170 /nfs/dbraw/zinc/69/31/70/776693170.db2.gz ZBBBQIOKCSZSLS-KTEZZQQRSA-N 2 0 283.372 -1.064 20 0 CAADRP O=C(NCC[NH2+]CCO)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001131522198 776693469 /nfs/dbraw/zinc/69/34/69/776693469.db2.gz WLFSODSZBKKCPY-AKJDGMEZSA-N 2 0 269.345 -1.452 20 0 CAADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)N1CCC[C@@H]2[NH2+]C[C@H]21 ZINC001158425332 776694745 /nfs/dbraw/zinc/69/47/45/776694745.db2.gz WUEBJLRZEFVWHW-RWMBFGLXSA-N 3 0 281.404 -1.300 20 0 CAADRP C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N1CCC[C@@H]2[NH2+]C[C@@H]21 ZINC001158425004 776695804 /nfs/dbraw/zinc/69/58/04/776695804.db2.gz VJNRALMJYGQCKM-XKNYDFJKSA-N 2 0 270.333 -2.227 20 0 CAADRP C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N1CCC[C@H]2[NH2+]C[C@H]21 ZINC001158424999 776697697 /nfs/dbraw/zinc/69/76/97/776697697.db2.gz VJNRALMJYGQCKM-AXTSPUMRSA-N 2 0 270.333 -2.227 20 0 CAADRP CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)[C@H]1C[NH2+]C[C@@H]1N ZINC001158497704 776709255 /nfs/dbraw/zinc/70/92/55/776709255.db2.gz DUJDXMDLIDRBSF-UHFZAUJKSA-N 2 0 296.371 -1.715 20 0 CAADRP [NH3+][C@@H]1CN[C@H](C(=O)N2CC[C@@]34C[NH2+]C[C@@H](C[C@@H]3C2)O4)C1 ZINC001158546790 776715271 /nfs/dbraw/zinc/71/52/71/776715271.db2.gz MBMHCCIVJWDRLC-GHMOJZLGSA-N 2 0 280.372 -1.345 20 0 CAADRP CC(C)[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+]CCO)C1 ZINC001132848944 776753109 /nfs/dbraw/zinc/75/31/09/776753109.db2.gz XDYKEJJQAFSUTQ-LLVKDONJSA-N 2 0 259.350 -1.206 20 0 CAADRP CC(C)[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+][C@@H]2CCNC2=O)C1 ZINC001132858839 776753218 /nfs/dbraw/zinc/75/32/18/776753218.db2.gz LNPYPFWXFFRABT-VXGBXAGGSA-N 2 0 298.387 -1.310 20 0 CAADRP CC(C)[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+][C@H](C)C(N)=O)C1 ZINC001132848415 776753275 /nfs/dbraw/zinc/75/32/75/776753275.db2.gz HSAFMBQSUZOVFF-GHMZBOCLSA-N 2 0 286.376 -1.325 20 0 CAADRP C[C@H]1C[C@@H](C(=O)NCC[NH2+]CC(N)=O)CC[N@@H+]1C ZINC001132886890 776754380 /nfs/dbraw/zinc/75/43/80/776754380.db2.gz VSWIUXWBYWQNDW-UWVGGRQHSA-N 2 0 256.350 -1.092 20 0 CAADRP C[NH+](C)CC1(C(=O)NCC[NH2+][C@@H]2CCNC2=O)CC1 ZINC001132992894 776756432 /nfs/dbraw/zinc/75/64/32/776756432.db2.gz IRSVWDSJSKFLIX-SNVBAGLBSA-N 2 0 268.361 -1.078 20 0 CAADRP C[C@H]([NH2+]CCNC(=O)C1(C[NH+](C)C)CC1)C(N)=O ZINC001132993023 776756698 /nfs/dbraw/zinc/75/66/98/776756698.db2.gz JXKAWNUMBUYBRQ-VIFPVBQESA-N 2 0 256.350 -1.092 20 0 CAADRP C[NH+](C)CCCC(=O)NCC[NH2+][C@@H]1CCC(=O)NC1=O ZINC001133043038 776757408 /nfs/dbraw/zinc/75/74/08/776757408.db2.gz PPPNLOIUFRSCQE-SNVBAGLBSA-N 2 0 284.360 -1.161 20 0 CAADRP C[NH+](C)CCCC(=O)NCC[NH2+]CCNS(C)(=O)=O ZINC001133052026 776757896 /nfs/dbraw/zinc/75/78/96/776757896.db2.gz YSMSAWZVYNUVPU-UHFFFAOYSA-N 2 0 294.421 -1.417 20 0 CAADRP CCNC(=O)NC(=O)C[NH2+]CCNC(=O)CC[NH+](C)C ZINC001133294707 776775358 /nfs/dbraw/zinc/77/53/58/776775358.db2.gz QEKUUSQJFCQQRE-UHFFFAOYSA-N 2 0 287.364 -1.510 20 0 CAADRP C[NH+](C)CCC(=O)NCC[NH2+][C@H]1CCCNC1=O ZINC001133297394 776775403 /nfs/dbraw/zinc/77/54/03/776775403.db2.gz MRJQHNRWLFMZST-JTQLQIEISA-N 2 0 256.350 -1.078 20 0 CAADRP C[NH+](C)CCC(=O)NCC[NH2+][C@@H]1CCC(=O)NC1=O ZINC001133297360 776775423 /nfs/dbraw/zinc/77/54/23/776775423.db2.gz LSHPEXCZTXRCAX-SECBINFHSA-N 2 0 270.333 -1.551 20 0 CAADRP C[NH+](C)CCC(=O)NCC[NH2+][C@H]1CCC(=O)NC1=O ZINC001133297361 776776220 /nfs/dbraw/zinc/77/62/20/776776220.db2.gz LSHPEXCZTXRCAX-VIFPVBQESA-N 2 0 270.333 -1.551 20 0 CAADRP C[NH+](C)CCC(=O)NCC[NH2+]CC(=O)N1CCOCC1 ZINC001133294315 776776697 /nfs/dbraw/zinc/77/66/97/776776697.db2.gz CAWQHTRWOPAZSB-UHFFFAOYSA-N 2 0 286.376 -1.497 20 0 CAADRP C[NH+](C)CCC(=O)NCC[NH2+]C[C@H](O)Cn1cccn1 ZINC001133294289 776776759 /nfs/dbraw/zinc/77/67/59/776776759.db2.gz BFZHFXWZOXHCTE-LBPRGKRZSA-N 2 0 283.376 -1.099 20 0 CAADRP CNC(=O)C[NH2+]CCNC(=O)[C@H]1C[N@H+](C)C[C@@H]1C ZINC001133863090 776789807 /nfs/dbraw/zinc/78/98/07/776789807.db2.gz JREJEFHHEIHQJF-UWVGGRQHSA-N 2 0 256.350 -1.364 20 0 CAADRP C[C@H]1CC[N@H+](CC(=O)NCC[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001133846267 776788845 /nfs/dbraw/zinc/78/88/45/776788845.db2.gz XNQNQOHGMQEBNC-WDEREUQCSA-N 2 0 296.371 -1.161 20 0 CAADRP C[C@@H]([NH2+]CCNC(=O)C[N@@H+]1CCC[C@H]1C)C(=O)NC(N)=O ZINC001133833815 776789099 /nfs/dbraw/zinc/78/90/99/776789099.db2.gz GXQXEFLPHIXVKD-NXEZZACHSA-N 2 0 299.375 -1.240 20 0 CAADRP C[C@H]([NH2+]CCNC(=O)C[N@@H+]1CC[C@H](C)C1)C(N)=O ZINC001133845529 776789257 /nfs/dbraw/zinc/78/92/57/776789257.db2.gz IDKRVZBOIOMKLE-UWVGGRQHSA-N 2 0 256.350 -1.092 20 0 CAADRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCC[NH2+]CC(=O)N(C)C ZINC001133863547 776789418 /nfs/dbraw/zinc/78/94/18/776789418.db2.gz NWAKOMWBLQPVDV-QWRGUYRKSA-N 2 0 270.377 -1.022 20 0 CAADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCC[NH2+]CCOCCO ZINC001133862142 776789589 /nfs/dbraw/zinc/78/95/89/776789589.db2.gz AWESWPYFFHAWND-NEPJUHHUSA-N 2 0 273.377 -1.101 20 0 CAADRP C[C@H]1CC[N@H+](CC(=O)NCC[NH2+]CC(=O)NC(N)=O)C1 ZINC001133845677 776789726 /nfs/dbraw/zinc/78/97/26/776789726.db2.gz LNIUAUYXULTOJS-VIFPVBQESA-N 2 0 285.348 -1.771 20 0 CAADRP CNC(=O)C[NH2+]CCNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001133845468 776789887 /nfs/dbraw/zinc/78/98/87/776789887.db2.gz GPFXFTURQIYWSL-JTQLQIEISA-N 2 0 256.350 -1.220 20 0 CAADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCC[NH2+]CC(=O)NC(N)=O ZINC001133864326 776789950 /nfs/dbraw/zinc/78/99/50/776789950.db2.gz ZBXGHROERIFYBZ-BDAKNGLRSA-N 2 0 285.348 -1.915 20 0 CAADRP CNC(=O)NC(=O)C[NH2+]CCNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001133845887 776789993 /nfs/dbraw/zinc/78/99/93/776789993.db2.gz PKUNQHSVCCWZCK-SNVBAGLBSA-N 2 0 299.375 -1.510 20 0 CAADRP C[C@H]1CCC[N@@H+]1CC(=O)NCC[NH2+][C@@H]1CCC(=O)NC1=O ZINC001133819879 776790173 /nfs/dbraw/zinc/79/01/73/776790173.db2.gz QCAQUTCPQQSJQC-WDEREUQCSA-N 2 0 296.371 -1.018 20 0 CAADRP C[C@@H]([NH2+]CCNC(=O)C[N@@H+]1CC[C@H](C)C1)C(=O)NC(N)=O ZINC001133851038 776790311 /nfs/dbraw/zinc/79/03/11/776790311.db2.gz VHSJDUUIUUXDQI-VHSXEESVSA-N 2 0 299.375 -1.383 20 0 CAADRP CNC(=O)C[NH2+]CCNC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001133823348 776790394 /nfs/dbraw/zinc/79/03/94/776790394.db2.gz CQSUNIMKKUCWIE-JTQLQIEISA-N 2 0 256.350 -1.078 20 0 CAADRP C[C@H]([NH2+]CCNC(=O)C[N@@H+]1CC[C@H](C)C1)C(=O)NC(N)=O ZINC001133851037 776790534 /nfs/dbraw/zinc/79/05/34/776790534.db2.gz VHSJDUUIUUXDQI-UWVGGRQHSA-N 2 0 299.375 -1.383 20 0 CAADRP CNC(=O)C[NH2+]CCNC(=O)[C@@H]1C[N@H+](C)C[C@H]1C ZINC001133863089 776790586 /nfs/dbraw/zinc/79/05/86/776790586.db2.gz JREJEFHHEIHQJF-NXEZZACHSA-N 2 0 256.350 -1.364 20 0 CAADRP C[C@@H]1CCC[N@@H+]1CC(=O)NCC[NH2+]CC(=O)NC(N)=O ZINC001133819592 776790840 /nfs/dbraw/zinc/79/08/40/776790840.db2.gz IFEZWCURUOTYTC-SECBINFHSA-N 2 0 285.348 -1.629 20 0 CAADRP C[C@@H]1CC[N@H+](CC(=O)NCC[NH2+]CC(=O)NC(N)=O)C1 ZINC001133845676 776790856 /nfs/dbraw/zinc/79/08/56/776790856.db2.gz LNIUAUYXULTOJS-SECBINFHSA-N 2 0 285.348 -1.771 20 0 CAADRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCC[NH2+]CCOCCO ZINC001133862157 776790915 /nfs/dbraw/zinc/79/09/15/776790915.db2.gz AWESWPYFFHAWND-RYUDHWBXSA-N 2 0 273.377 -1.101 20 0 CAADRP C[C@H]([NH2+]CCNC(=O)C[N@@H+]1CC[C@@H](C)C1)C(N)=O ZINC001133845531 776790930 /nfs/dbraw/zinc/79/09/30/776790930.db2.gz IDKRVZBOIOMKLE-ZJUUUORDSA-N 2 0 256.350 -1.092 20 0 CAADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCC[NH2+]CCS(C)(=O)=O ZINC001133870952 776791638 /nfs/dbraw/zinc/79/16/38/776791638.db2.gz XWHKGDUFXTVRSD-MNOVXSKESA-N 2 0 291.417 -1.066 20 0 CAADRP CC1(C)CC[N@H+](CC(=O)NCC[NH2+]CC(N)=O)C1 ZINC001133893337 776792050 /nfs/dbraw/zinc/79/20/50/776792050.db2.gz DGISHECYVSATFX-UHFFFAOYSA-N 2 0 256.350 -1.091 20 0 CAADRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCC[NH2+]CC(=O)NC(N)=O ZINC001133864328 776792299 /nfs/dbraw/zinc/79/22/99/776792299.db2.gz ZBXGHROERIFYBZ-IUCAKERBSA-N 2 0 285.348 -1.915 20 0 CAADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCC[NH2+]CC(=O)NC(N)=O ZINC001133864327 776792644 /nfs/dbraw/zinc/79/26/44/776792644.db2.gz ZBXGHROERIFYBZ-DTWKUNHWSA-N 2 0 285.348 -1.915 20 0 CAADRP CNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H]1C[N@H+](C)C[C@H]1C ZINC001133869836 776792684 /nfs/dbraw/zinc/79/26/84/776792684.db2.gz MHUHXPBCQMNWQT-ZJUUUORDSA-N 2 0 299.375 -1.655 20 0 CAADRP CC1(C)CC[N@H+](CC(=O)NCC[NH2+]CC(=O)NC(N)=O)C1 ZINC001133894209 776793176 /nfs/dbraw/zinc/79/31/76/776793176.db2.gz XPLVVYJACOMMNK-UHFFFAOYSA-N 2 0 299.375 -1.381 20 0 CAADRP C[C@@H](COCC(=O)NCC[NH2+]CC(N)=O)[NH+]1CCCC1 ZINC001134058636 776805406 /nfs/dbraw/zinc/80/54/06/776805406.db2.gz WWFFNQQLHZKZAV-NSHDSACASA-N 2 0 286.376 -1.322 20 0 CAADRP OC[C@H]1C[NH2+]C[C@@H]1Nc1nccnc1N1CC[NH2+]CC1 ZINC001170771715 776826805 /nfs/dbraw/zinc/82/68/05/776826805.db2.gz FVOWLBLYNMGLOA-MNOVXSKESA-N 2 0 278.360 -1.122 20 0 CAADRP OC[C@H]1C[NH2+]C[C@H]1Nc1nccnc1N1CC[NH2+]CC1 ZINC001170771714 776827347 /nfs/dbraw/zinc/82/73/47/776827347.db2.gz FVOWLBLYNMGLOA-GHMZBOCLSA-N 2 0 278.360 -1.122 20 0 CAADRP OC[C@@H]1C[NH2+]C[C@H]1Nc1nccnc1N1CC[NH2+]CC1 ZINC001170771928 776827693 /nfs/dbraw/zinc/82/76/93/776827693.db2.gz FVOWLBLYNMGLOA-WDEREUQCSA-N 2 0 278.360 -1.122 20 0 CAADRP OC[C@@H]1C[NH2+]C[C@H]1Nc1ccnc(N2CC[NH2+]CC2)n1 ZINC001170771081 776827990 /nfs/dbraw/zinc/82/79/90/776827990.db2.gz BENOMCBDZPSAFK-WDEREUQCSA-N 2 0 278.360 -1.122 20 0 CAADRP C[NH+](C)CCn1cc(C(=O)NCC[NH2+]CC(N)=O)cn1 ZINC001135117962 776835879 /nfs/dbraw/zinc/83/58/79/776835879.db2.gz FGUJEBOLIAKIKZ-UHFFFAOYSA-N 2 0 282.348 -1.751 20 0 CAADRP C[NH+](C)CC1(C(=O)NC[C@H](CO)[NH2+]CCO)CC1 ZINC001283796705 777918078 /nfs/dbraw/zinc/91/80/78/777918078.db2.gz KMPMNKFPHPTEBB-SNVBAGLBSA-N 2 0 259.350 -1.613 20 0 CAADRP O=C(NC[C@@H](CO)[NH2+]CCCO)C12CC[NH+](CC1)C2 ZINC001283816444 777921259 /nfs/dbraw/zinc/92/12/59/777921259.db2.gz JIVRBNPDSDZLIH-NSHDSACASA-N 2 0 271.361 -1.469 20 0 CAADRP C[C@H](O)C[NH2+]C[C@@H](O)CN(C)C(=O)CC[NH+](C)C ZINC001284444337 777942551 /nfs/dbraw/zinc/94/25/51/777942551.db2.gz JJIVNTMAQIIVNZ-WDEREUQCSA-N 2 0 261.366 -1.272 20 0 CAADRP C[C@H](O)C[NH2+]C[C@H](O)CN(C)C(=O)CC[NH+](C)C ZINC001284444336 777942565 /nfs/dbraw/zinc/94/25/65/777942565.db2.gz JJIVNTMAQIIVNZ-QWRGUYRKSA-N 2 0 261.366 -1.272 20 0 CAADRP CN(C[C@@H](O)C[NH2+]CCCO)C(=O)[C@H]1CCC[N@@H+]1C ZINC001284435448 777942577 /nfs/dbraw/zinc/94/25/77/777942577.db2.gz HSDWTZYLXKGHBD-NWDGAFQWSA-N 2 0 273.377 -1.128 20 0 CAADRP Cn1cc([C@@H]2CN(C(=O)NCC[NH3+])C[C@H]2[NH3+])cn1 ZINC001118086787 779547331 /nfs/dbraw/zinc/54/73/31/779547331.db2.gz ZPHRJGCNJQCFJC-VHSXEESVSA-N 2 0 252.322 -1.185 20 0 CAADRP C[NH+](C)CCOCC[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC001118089819 779547412 /nfs/dbraw/zinc/54/74/12/779547412.db2.gz AEPVIYRVPINPFE-CQSZACIVSA-N 3 0 288.436 -1.238 20 0 CAADRP [NH3+]CCOCC(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC001118137353 779549715 /nfs/dbraw/zinc/54/97/15/779549715.db2.gz ALIHQTRDPJXALB-LLVKDONJSA-N 2 0 256.350 -1.532 20 0 CAADRP [NH3+]CC(=O)NCC(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC001118161090 779550285 /nfs/dbraw/zinc/55/02/85/779550285.db2.gz HLXZTENATSXIIS-LURJTMIESA-N 2 0 250.249 -1.825 20 0 CAADRP C[NH+]1CCN(C[C@H](O)C[NH2+]C[C@H](O)C2CC2)CC1 ZINC001118179464 779550765 /nfs/dbraw/zinc/55/07/65/779550765.db2.gz VEDVZMNMDBOJEM-OLZOCXBDSA-N 2 0 257.378 -1.045 20 0 CAADRP [NH3+]CCCn1cc(C(=O)NC[C@@H]2C[NH2+]CCO2)nn1 ZINC001118195618 779551602 /nfs/dbraw/zinc/55/16/02/779551602.db2.gz PFIPJOUYVPSNQS-VIFPVBQESA-N 2 0 268.321 -1.655 20 0 CAADRP [NH3+]CCCn1cc(C(=O)NC[C@H]2C[NH2+]CCO2)nn1 ZINC001118195617 779551910 /nfs/dbraw/zinc/55/19/10/779551910.db2.gz PFIPJOUYVPSNQS-SECBINFHSA-N 2 0 268.321 -1.655 20 0 CAADRP O=C([C@@H]1C[NH2+]CCO1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC001118201760 779552982 /nfs/dbraw/zinc/55/29/82/779552982.db2.gz SAFTVJFATZZOQE-RYUDHWBXSA-N 2 0 268.361 -1.519 20 0 CAADRP [NH3+]C[C@@H]1CCN(C(=O)CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC001118203905 779553043 /nfs/dbraw/zinc/55/30/43/779553043.db2.gz ZOIVDLFWYGAFIK-UWVGGRQHSA-N 2 0 254.334 -1.338 20 0 CAADRP O=C(NCCCN1CC[NH2+]CC1)[C@H]1C[NH2+]CCO1 ZINC001118201030 779553191 /nfs/dbraw/zinc/55/31/91/779553191.db2.gz QOSXLZDUDSXNKD-LLVKDONJSA-N 2 0 256.350 -1.614 20 0 CAADRP [NH3+]CCCCn1cc(C(=O)NC[C@@H]2C[NH2+]CCO2)nn1 ZINC001118229204 779556054 /nfs/dbraw/zinc/55/60/54/779556054.db2.gz YKZFDBQSHIIPRA-JTQLQIEISA-N 2 0 282.348 -1.265 20 0 CAADRP CN(CC[NH3+])C(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC001118330226 779564498 /nfs/dbraw/zinc/56/44/98/779564498.db2.gz IFSXDXPIXLFEHO-UHFFFAOYSA-N 2 0 282.348 -1.200 20 0 CAADRP C[C@@H](C[NH3+])NC(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC001118330630 779565167 /nfs/dbraw/zinc/56/51/67/779565167.db2.gz UXULSEKNRGCXMB-VIFPVBQESA-N 2 0 282.348 -1.153 20 0 CAADRP C[C@H]([NH3+])CNC(=O)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC001118486187 779570698 /nfs/dbraw/zinc/57/06/98/779570698.db2.gz LFVSSVPYPSEVHU-JQWIXIFHSA-N 2 0 298.387 -1.181 20 0 CAADRP C[C@H]([NH3+])CNC(=O)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC001118486186 779570853 /nfs/dbraw/zinc/57/08/53/779570853.db2.gz LFVSSVPYPSEVHU-CMPLNLGQSA-N 2 0 298.387 -1.181 20 0 CAADRP O=C(NC1C[NH2+]C1)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC001118486476 779570889 /nfs/dbraw/zinc/57/08/89/779570889.db2.gz NIZVVACVXVPBBB-GFCCVEGCSA-N 2 0 296.371 -1.556 20 0 CAADRP Cn1cc([C@@H]2CN(C(=O)C3(O)C[NH2+]C3)C[C@H]2[NH3+])cn1 ZINC001118506021 779571807 /nfs/dbraw/zinc/57/18/07/779571807.db2.gz JNBHQJBQTYYTNC-VHSXEESVSA-N 2 0 265.317 -1.993 20 0 CAADRP NC(=O)CN1CCC[C@@H](NC(=O)CC2([NH3+])CC2)C1 ZINC001118569665 779576847 /nfs/dbraw/zinc/57/68/47/779576847.db2.gz IZRGCPXRWHZHQS-SECBINFHSA-N 2 0 254.334 -1.066 20 0 CAADRP CN(CCOCC[NH3+])C(=O)NC[C@H]1C[NH2+]CCO1 ZINC001118862201 779591097 /nfs/dbraw/zinc/59/10/97/779591097.db2.gz VJRWWVSJXMNMKX-SNVBAGLBSA-N 2 0 260.338 -1.409 20 0 CAADRP CC(=O)NCC(=O)N1CCC[N@H+](CCOCC[NH3+])CC1 ZINC001118898803 779595907 /nfs/dbraw/zinc/59/59/07/779595907.db2.gz ZVANBTCKDRGYON-UHFFFAOYSA-N 2 0 286.376 -1.368 20 0 CAADRP CN(C1CC[NH2+]CC1)S(=O)(=O)N[C@H]1CC[NH2+]C1 ZINC001118933261 779598392 /nfs/dbraw/zinc/59/83/92/779598392.db2.gz KCEUKSKKKFDHRV-VIFPVBQESA-N 2 0 262.379 -1.134 20 0 CAADRP COC[C@@]1(C(=O)N2CCC([NH3+])CC2)C[NH2+]CCO1 ZINC001119232273 779608581 /nfs/dbraw/zinc/60/85/81/779608581.db2.gz CJVBFKKXOLRFHW-GFCCVEGCSA-N 2 0 257.334 -1.059 20 0 CAADRP C[NH2+]C[C@H](C)CNC(=O)[C@]1(COC)C[NH2+]CCO1 ZINC001119234833 779608618 /nfs/dbraw/zinc/60/86/18/779608618.db2.gz GJFPDEAACYIPIT-CMPLNLGQSA-N 2 0 259.350 -1.037 20 0 CAADRP Cn1ncc(C[NH3+])c1C(=O)NCCN1CC[NH2+]CC1 ZINC001119235940 779609025 /nfs/dbraw/zinc/60/90/25/779609025.db2.gz SNSOCHQHIFXKSR-UHFFFAOYSA-N 2 0 266.349 -1.486 20 0 CAADRP C[NH2+]CCOCCN(C)C(=O)[C@H](N)CC[NH+](C)C ZINC001119243502 779609089 /nfs/dbraw/zinc/60/90/89/779609089.db2.gz UTVJMSHZWQPSJP-LLVKDONJSA-N 2 0 260.382 -1.040 20 0 CAADRP C[NH2+]CCOCCN(C)C(=O)c1cn(CC[NH3+])nn1 ZINC001119299174 779611103 /nfs/dbraw/zinc/61/11/03/779611103.db2.gz DYRBUQOCDNRUHB-UHFFFAOYSA-N 2 0 270.337 -1.455 20 0 CAADRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)NCC[NH3+])C[C@H]1C[NH+](C)C ZINC001119418972 779614334 /nfs/dbraw/zinc/61/43/34/779614334.db2.gz YCSORCQQQBCVJS-VXGBXAGGSA-N 3 0 299.419 -1.741 20 0 CAADRP COC[C@@H](C)OC[C@H](O)CN1CC[NH2+]CC[NH2+]CC1 ZINC001119619302 779619849 /nfs/dbraw/zinc/61/98/49/779619849.db2.gz YRNKHSJWIGJRNB-CHWSQXEVSA-N 2 0 275.393 -1.106 20 0 CAADRP [NH3+][C@]1(CO)CCCN(CC(=O)N2CC[NH2+]CC2)C1 ZINC001119617824 779619984 /nfs/dbraw/zinc/61/99/84/779619984.db2.gz WNSJPDIAGNURSR-GFCCVEGCSA-N 2 0 256.350 -1.796 20 0 CAADRP [NH3+]CCN(CCO)Cc1cnnn1[C@H]1CCC[NH2+]C1 ZINC001119610795 779620068 /nfs/dbraw/zinc/62/00/68/779620068.db2.gz GVIFSCXWKUSVLA-NSHDSACASA-N 2 0 268.365 -1.044 20 0 CAADRP COCC[N@H+](C)C[C@H](O)CN1CC[NH2+]CC[NH2+]CC1 ZINC001119682684 779623200 /nfs/dbraw/zinc/62/32/00/779623200.db2.gz QXNFJJPSXOKKMR-ZDUSSCGKSA-N 3 0 274.409 -1.580 20 0 CAADRP CCO[C@H](CNC(=O)C(=O)N(C)CC[NH2+]C)C[NH+](C)C ZINC001120442836 779637531 /nfs/dbraw/zinc/63/75/31/779637531.db2.gz GNSJXBPKZHFXKI-LLVKDONJSA-N 2 0 288.392 -1.253 20 0 CAADRP [NH3+]C1CC(CC(=O)NCC(=O)N2CC[NH2+]CC2)C1 ZINC001120452893 779638343 /nfs/dbraw/zinc/63/83/43/779638343.db2.gz NIYRCVNAUXTPMR-UHFFFAOYSA-N 2 0 254.334 -1.338 20 0 CAADRP CN1CC[NH2+]C[C@@H]1C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC001120546395 779641751 /nfs/dbraw/zinc/64/17/51/779641751.db2.gz AZMMDDBXMPCUOU-SNVBAGLBSA-N 2 0 269.349 -2.562 20 0 CAADRP C[C@@H]1C[NH2+]C[C@H]1NC(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC001120554244 779642126 /nfs/dbraw/zinc/64/21/26/779642126.db2.gz ICFMHMMCCCYSHX-GMTAPVOTSA-N 2 0 255.366 -1.121 20 0 CAADRP C[C@H]1CN2CC[N@@H+]1C[C@H]2C(=O)N(C)CCN1CC[NH2+]CC1 ZINC001121810628 779650809 /nfs/dbraw/zinc/65/08/09/779650809.db2.gz LQAKCNDEAJYRIW-KBPBESRZSA-N 2 0 295.431 -1.262 20 0 CAADRP C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)N(C)CCN1CC[NH2+]CC1 ZINC001121810636 779650839 /nfs/dbraw/zinc/65/08/39/779650839.db2.gz LQAKCNDEAJYRIW-ZIAGYGMSSA-N 2 0 295.431 -1.262 20 0 CAADRP C[NH+](C)CCNC(=O)[C@@H]1CC(=O)N(C2C[NH2+]C2)C1 ZINC001121935661 779652685 /nfs/dbraw/zinc/65/26/85/779652685.db2.gz ASWHTAMMUNHPPQ-SECBINFHSA-N 2 0 254.334 -1.516 20 0 CAADRP [NH3+][C@@H]1CCCN(C(=O)[C@H]2CC(=O)N(C3C[NH2+]C3)C2)C1 ZINC001121936293 779652938 /nfs/dbraw/zinc/65/29/38/779652938.db2.gz ABVGTQIGOZRIDI-VHSXEESVSA-N 2 0 266.345 -1.244 20 0 CAADRP C[C@@H](CNC(=O)CNCC[NH3+])C[NH+]1CCN(C)CC1 ZINC001121928768 779652944 /nfs/dbraw/zinc/65/29/44/779652944.db2.gz TXWHHLJLSLMBPM-LBPRGKRZSA-N 2 0 271.409 -1.466 20 0 CAADRP C[C@H](CNC(=O)CNCC[NH3+])C[NH+]1CCN(C)CC1 ZINC001121928767 779653027 /nfs/dbraw/zinc/65/30/27/779653027.db2.gz TXWHHLJLSLMBPM-GFCCVEGCSA-N 2 0 271.409 -1.466 20 0 CAADRP CC1(C)CN(CCNC(=O)CNCC[NH3+])CCO1 ZINC001121997581 779654205 /nfs/dbraw/zinc/65/42/05/779654205.db2.gz XJACYLYPBYUITR-UHFFFAOYSA-N 2 0 258.366 -1.238 20 0 CAADRP CN1CC[NH2+]C[C@@H]1C(=O)N[C@@H](CC[NH3+])C(F)F ZINC001121943644 779654267 /nfs/dbraw/zinc/65/42/67/779654267.db2.gz LPXMUHMZZGGILJ-JGVFFNPUSA-N 2 0 250.293 -1.011 20 0 CAADRP C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001122022733 779655052 /nfs/dbraw/zinc/65/50/52/779655052.db2.gz VJDHCADSLXTTCV-GCHJQGSQSA-N 2 0 250.346 -1.291 20 0 CAADRP [NH3+]C1(CNC(=O)[C@H]2CC(=O)N(C3C[NH2+]C3)C2)CCC1 ZINC001122011603 779655390 /nfs/dbraw/zinc/65/53/90/779655390.db2.gz SHJGLYDIYDZZOD-VIFPVBQESA-N 2 0 266.345 -1.196 20 0 CAADRP [NH3+]CCNCC(=O)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC001121998113 779655413 /nfs/dbraw/zinc/65/54/13/779655413.db2.gz QBVGIOJCEYBBIF-NEPJUHHUSA-N 2 0 270.377 -1.408 20 0 CAADRP O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)[C@@H]1CC(=O)N(C2C[NH2+]C2)C1 ZINC001122023970 779655475 /nfs/dbraw/zinc/65/54/75/779655475.db2.gz RZSORLQBISXBLH-BXSSEVMYSA-N 2 0 264.329 -1.859 20 0 CAADRP C[NH2+]C[C@H](O)[C@@H](C)C(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC001122070811 779656350 /nfs/dbraw/zinc/65/63/50/779656350.db2.gz ZIONRGKTGIUQEU-VWYCJHECSA-N 2 0 259.350 -1.221 20 0 CAADRP O=C(/C=C\CN1CCOCC1)N[C@H]1C[NH2+]C[C@H]1O ZINC001122078998 779656503 /nfs/dbraw/zinc/65/65/03/779656503.db2.gz FBPPBFIAJCFXEC-WQJDUCKJSA-N 2 0 255.318 -1.676 20 0 CAADRP O=C(C[C@]1(O)CCC[NH2+]C1)NC[C@H]1COCC[NH2+]1 ZINC001122090319 779657106 /nfs/dbraw/zinc/65/71/06/779657106.db2.gz VLJVRVZTUIXXCB-CMPLNLGQSA-N 2 0 257.334 -1.404 20 0 CAADRP CC(C)(O)[C@H]([NH3+])C(=O)N1CCC[C@@H]([NH2+]CCO)C1 ZINC001122094363 779657115 /nfs/dbraw/zinc/65/71/15/779657115.db2.gz LUJWLLINLGANGX-NXEZZACHSA-N 2 0 259.350 -1.343 20 0 CAADRP C[C@]1(C(=O)N2CCOC3(C[NH2+]C3)C2)C[C@H](O)C[NH2+]1 ZINC001122081370 779657216 /nfs/dbraw/zinc/65/72/16/779657216.db2.gz BUEFKBSFOQGWAE-GXSJLCMTSA-N 2 0 255.318 -1.700 20 0 CAADRP O=C(NC[C@H]1COCC[NH2+]1)[C@@H]1[NH2+]CC12CCOCC2 ZINC001122089916 779657789 /nfs/dbraw/zinc/65/77/89/779657789.db2.gz POTQJEHRMHHCFY-QWRGUYRKSA-N 2 0 269.345 -1.140 20 0 CAADRP O=C(NC[C@@H]1COCC[NH2+]1)[C@H]1[NH2+]CC12CCOCC2 ZINC001122089914 779657981 /nfs/dbraw/zinc/65/79/81/779657981.db2.gz POTQJEHRMHHCFY-GHMZBOCLSA-N 2 0 269.345 -1.140 20 0 CAADRP C[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]([NH2+]C)c1cnn(C)c1 ZINC001122100475 779658344 /nfs/dbraw/zinc/65/83/44/779658344.db2.gz RQHSSQKGMPTKLC-MNOVXSKESA-N 2 0 269.349 -1.281 20 0 CAADRP C[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]([NH2+]C)c1cnn(C)c1 ZINC001122100477 779658363 /nfs/dbraw/zinc/65/83/63/779658363.db2.gz RQHSSQKGMPTKLC-QWRGUYRKSA-N 2 0 269.349 -1.281 20 0 CAADRP C[NH2+]C[C@H](O)CN(C)C(=O)[C@H]([NH2+]C)c1cnn(C)c1 ZINC001122100479 779658467 /nfs/dbraw/zinc/65/84/67/779658467.db2.gz RQHSSQKGMPTKLC-WDEREUQCSA-N 2 0 269.349 -1.281 20 0 CAADRP [NH3+]C1(C(=O)NCC2(O)C[NH2+]C2)Cc2ccccc2C1 ZINC001122137135 779658543 /nfs/dbraw/zinc/65/85/43/779658543.db2.gz USUNJWZASWCCGD-UHFFFAOYSA-N 2 0 261.325 -1.067 20 0 CAADRP [NH3+][C@H]1C[C@H](CNC(=O)[C@@H]2CC(=O)N(C3C[NH2+]C3)C2)C1 ZINC001122108039 779658730 /nfs/dbraw/zinc/65/87/30/779658730.db2.gz MFCCYUCIJZAKRK-OPRDCNLKSA-N 2 0 266.345 -1.340 20 0 CAADRP CN(CCC[NH3+])C(=O)[C@@H]1CC(=O)N(C2C[NH2+]C2)C1 ZINC001122110793 779658783 /nfs/dbraw/zinc/65/87/83/779658783.db2.gz LQXZSVGPPSYMNE-SECBINFHSA-N 2 0 254.334 -1.386 20 0 CAADRP O=C(NCC1(O)C[NH2+]C1)[C@]12C[NH2+]C[C@H]1CCOC2 ZINC001122137151 779658948 /nfs/dbraw/zinc/65/89/48/779658948.db2.gz UZZCHTMFQUDVLZ-SKDRFNHKSA-N 2 0 255.318 -1.937 20 0 CAADRP CC[NH+]1CCN(CCC(=O)NC[C@H](O)C[NH3+])CC1 ZINC001122149040 779659693 /nfs/dbraw/zinc/65/96/93/779659693.db2.gz RBBMKKCWXKZFOF-LLVKDONJSA-N 2 0 258.366 -1.550 20 0 CAADRP C[NH2+]CCOCCNC(=O)[C@H]1C[N@@H+]2CCN1C[C@H]2C ZINC001122169193 779659808 /nfs/dbraw/zinc/65/98/08/779659808.db2.gz XKZDBUMIDMMTCM-VXGBXAGGSA-N 2 0 270.377 -1.273 20 0 CAADRP CN1CC[NH2+]C[C@@H]1C(=O)NC1(C[NH3+])CCOCC1 ZINC001122172454 779660019 /nfs/dbraw/zinc/66/00/19/779660019.db2.gz VCYZAGJHSGGBPC-SNVBAGLBSA-N 2 0 256.350 -1.486 20 0 CAADRP C[NH2+]CCOCCNC(=O)[C@H]1C[N@@H+]2CCN1C[C@@H]2C ZINC001122169191 779660077 /nfs/dbraw/zinc/66/00/77/779660077.db2.gz XKZDBUMIDMMTCM-NWDGAFQWSA-N 2 0 270.377 -1.273 20 0 CAADRP C[NH2+]C[C@H](O)CN(C)C(=O)COC1CC[NH2+]CC1 ZINC001122182503 779660605 /nfs/dbraw/zinc/66/06/05/779660605.db2.gz QHIJJELVNADUPS-JTQLQIEISA-N 2 0 259.350 -1.206 20 0 CAADRP C[C@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)N(C)CCOCC[NH3+] ZINC001122172969 779661126 /nfs/dbraw/zinc/66/11/26/779661126.db2.gz ZBNFWSYQPJKATF-NWDGAFQWSA-N 2 0 270.377 -1.192 20 0 CAADRP O=C(C1=NOC2(C1)CC[NH2+]CC2)N1CCNCC[NH2+]CC1 ZINC001122288287 779662998 /nfs/dbraw/zinc/66/29/98/779662998.db2.gz QOFSFLKYHYAFBZ-UHFFFAOYSA-N 2 0 295.387 -1.094 20 0 CAADRP [NH3+]C[C@@]1(C(=O)N2CCNCC[NH2+]CC2)CCCOC1 ZINC001122288733 779663209 /nfs/dbraw/zinc/66/32/09/779663209.db2.gz ZJSRWRGICBBNCY-ZDUSSCGKSA-N 2 0 270.377 -1.237 20 0 CAADRP O=C(C1=NO[C@@]2(C1)CCC[NH2+]C2)N1CCNCC[NH2+]CC1 ZINC001122288277 779663295 /nfs/dbraw/zinc/66/32/95/779663295.db2.gz QIXIJKJCEODZKZ-CQSZACIVSA-N 2 0 295.387 -1.094 20 0 CAADRP C[C@]1(C(=O)N2CCNCC[NH2+]CC2)C[C@@H](O)C[NH2+]1 ZINC001122288603 779663397 /nfs/dbraw/zinc/66/33/97/779663397.db2.gz LWJFAKOXLRPIRW-ZYHUDNBSSA-N 2 0 256.350 -1.879 20 0 CAADRP COC[C@H]1C[NH2+]CCN1C(=O)c1cn(CC[NH3+])nn1 ZINC001122331577 779665304 /nfs/dbraw/zinc/66/53/04/779665304.db2.gz LYENXUHSOPWWFI-SECBINFHSA-N 2 0 268.321 -1.703 20 0 CAADRP O=C(N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO)C1(O)C[NH2+]C1 ZINC001122442451 779668771 /nfs/dbraw/zinc/66/87/71/779668771.db2.gz PLMDNIIUCYSIOH-MNOVXSKESA-N 2 0 269.345 -1.622 20 0 CAADRP CO[C@@H](C[NH3+])C(=O)N[C@H](C)[C@@H]1C[N@H+](C)CCN1C ZINC001122449686 779669080 /nfs/dbraw/zinc/66/90/80/779669080.db2.gz WPKMRRMFJVNEOS-VWYCJHECSA-N 2 0 258.366 -1.289 20 0 CAADRP CN(C(=O)c1cn(CC[NH3+])nn1)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001122474691 779671328 /nfs/dbraw/zinc/67/13/28/779671328.db2.gz LXDJUAAIJBYMLV-MBTKJCJQSA-N 2 0 250.306 -1.473 20 0 CAADRP C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)NCCN1CC[NH+](C)CC1 ZINC001123484350 779689008 /nfs/dbraw/zinc/68/90/08/779689008.db2.gz RRGJLJXIPJNBIX-ZIAGYGMSSA-N 2 0 295.431 -1.262 20 0 CAADRP C[N@@H+]1CCC[C@@H]1C(=O)NCC[NH2+]CCOCCO ZINC001124878456 779719383 /nfs/dbraw/zinc/71/93/83/779719383.db2.gz MSNSBNCPXRAHAK-LLVKDONJSA-N 2 0 259.350 -1.205 20 0 CAADRP CNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001124877104 779719354 /nfs/dbraw/zinc/71/93/54/779719354.db2.gz BOKISNBWTUGVFN-ZJUUUORDSA-N 2 0 256.350 -1.079 20 0 CAADRP C[C@H]([NH2+]CCNC(=O)[C@H]1CCC[N@@H+]1C)C(=O)NC(N)=O ZINC001124866345 779719614 /nfs/dbraw/zinc/71/96/14/779719614.db2.gz AOQJJLFUGKEVIZ-DTWKUNHWSA-N 2 0 285.348 -1.630 20 0 CAADRP C[N@@H+]1CCC[C@@H]1C(=O)NCC[NH2+]CCN1C(=O)CCC1=O ZINC001124867462 779719653 /nfs/dbraw/zinc/71/96/53/779719653.db2.gz WCGAYTZWDZAUTP-LLVKDONJSA-N 2 0 296.371 -1.065 20 0 CAADRP COC[C@H](O)C[NH2+]CCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001124877641 779719704 /nfs/dbraw/zinc/71/97/04/779719704.db2.gz HIZNJHQYLWMMTN-MNOVXSKESA-N 2 0 259.350 -1.206 20 0 CAADRP COC[C@@H](O)C[NH2+]CCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001124877643 779719764 /nfs/dbraw/zinc/71/97/64/779719764.db2.gz HIZNJHQYLWMMTN-QWRGUYRKSA-N 2 0 259.350 -1.206 20 0 CAADRP C[N@@H+]1CCC[C@@H]1C(=O)NCC[NH2+]CCNS(C)(=O)=O ZINC001124878542 779719797 /nfs/dbraw/zinc/71/97/97/779719797.db2.gz NKIBEZNJEPKXBP-SNVBAGLBSA-N 2 0 292.405 -1.664 20 0 CAADRP CNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001124877097 779719864 /nfs/dbraw/zinc/71/98/64/779719864.db2.gz BOKISNBWTUGVFN-NXEZZACHSA-N 2 0 256.350 -1.079 20 0 CAADRP CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001124872260 779719921 /nfs/dbraw/zinc/71/99/21/779719921.db2.gz CLRLQNLSBJUJKM-JTQLQIEISA-N 2 0 256.350 -1.078 20 0 CAADRP CNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001124867728 779720080 /nfs/dbraw/zinc/72/00/80/779720080.db2.gz YQVHSNZZZZYWQK-VHSXEESVSA-N 2 0 299.375 -1.370 20 0 CAADRP CC(C)(O)CC[NH+]1CCN(C(=O)[C@H]2C[NH2+]C[C@@H]2N)CC1 ZINC001161176377 779726689 /nfs/dbraw/zinc/72/66/89/779726689.db2.gz TWNNBHHJUKNEQI-RYUDHWBXSA-N 2 0 284.404 -1.162 20 0 CAADRP NC(=[NH2+])N(CCCC[NH3+])C(=O)Cn1cccnc1=O ZINC001141957666 779746049 /nfs/dbraw/zinc/74/60/49/779746049.db2.gz HRIWUJIEERNLJD-UHFFFAOYSA-N 2 0 266.305 -1.296 20 0 CAADRP NC(=[NH2+])N(CCCC[NH3+])C(=O)CN1CC(=O)NC1=O ZINC001142093075 779749620 /nfs/dbraw/zinc/74/96/20/779749620.db2.gz RLEOZSSDRXHQNV-UHFFFAOYSA-N 2 0 270.293 -2.001 20 0 CAADRP CC(C)[N@H+](C)CC(=O)NCCN(CC[NH3+])N(O)N=O ZINC001142590895 779760168 /nfs/dbraw/zinc/76/01/68/779760168.db2.gz USQVMNZBKQJYAE-UHFFFAOYSA-N 2 0 276.341 -1.009 20 0 CAADRP CC[C@H]([NH2+]CCNC(=O)[C@H]1CC[N@H+](C)C1)C(N)=O ZINC001151064368 779801593 /nfs/dbraw/zinc/80/15/93/779801593.db2.gz ARMUPYBNBBGPAZ-UWVGGRQHSA-N 2 0 256.350 -1.092 20 0 CAADRP COC[C@H](O)C[NH2+]CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001151058100 779801752 /nfs/dbraw/zinc/80/17/52/779801752.db2.gz WIDRNKOPNMDCRU-GHMZBOCLSA-N 2 0 259.350 -1.349 20 0 CAADRP C[N@@H+]1CC[C@H](C(=O)NCC[NH2+]CCS(C)(=O)=O)C1 ZINC001151049797 779801845 /nfs/dbraw/zinc/80/18/45/779801845.db2.gz ZEXOCZNLDRKNIJ-JTQLQIEISA-N 2 0 277.390 -1.312 20 0 CAADRP C[N@@H+]1CC[C@H](C(=O)NCC[NH2+]CC(=O)NC(N)=O)C1 ZINC001151048757 779801887 /nfs/dbraw/zinc/80/18/87/779801887.db2.gz FOUQIVKSQKFKKS-QMMMGPOBSA-N 2 0 271.321 -2.161 20 0 CAADRP C[N@@H+]1CC[C@H](C(=O)NCC[NH2+]CCN2CCNC2=O)C1 ZINC001151064360 779801968 /nfs/dbraw/zinc/80/19/68/779801968.db2.gz AOXVPYYZXTWCQB-NSHDSACASA-N 2 0 283.376 -1.331 20 0 CAADRP C[N@@H+]1CC[C@@H](C(=O)NCC[NH2+][C@@H]2CCCNC2=O)C1 ZINC001151049544 779802097 /nfs/dbraw/zinc/80/20/97/779802097.db2.gz RQHCAIRPUYMXKB-GHMZBOCLSA-N 2 0 268.361 -1.078 20 0 CAADRP CNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001151065868 779802221 /nfs/dbraw/zinc/80/22/21/779802221.db2.gz NYMWDADOXWLDBM-NXEZZACHSA-N 2 0 299.375 -1.512 20 0 CAADRP CC[C@@H]([NH2+]CCNC(=O)[C@@H]1CC[N@H+](C)C1)C(N)=O ZINC001151064367 779802484 /nfs/dbraw/zinc/80/24/84/779802484.db2.gz ARMUPYBNBBGPAZ-NXEZZACHSA-N 2 0 256.350 -1.092 20 0 CAADRP C[N@@H+]1CC[C@H](C(=O)NCC[NH2+]CC(=O)N2CCC2)C1 ZINC001151044372 779802549 /nfs/dbraw/zinc/80/25/49/779802549.db2.gz RPBBGHQAJMIPIJ-NSHDSACASA-N 2 0 268.361 -1.124 20 0 CAADRP C[N@@H+]1CC[C@@H](C(=O)NCC[NH2+]C[C@H](O)Cn2cccn2)C1 ZINC001151073114 779802605 /nfs/dbraw/zinc/80/26/05/779802605.db2.gz GICBLVVVVPOAKK-OLZOCXBDSA-N 2 0 295.387 -1.099 20 0 CAADRP C[N@@H+]1CC[C@H](C(=O)NCC[NH2+]CC(=O)N2CCOCC2)C1 ZINC001151049171 779802640 /nfs/dbraw/zinc/80/26/40/779802640.db2.gz JGWFSCTZVCAJJK-LBPRGKRZSA-N 2 0 298.387 -1.497 20 0 CAADRP C[N@@H+]1CC[C@H](C(=O)NCC[NH2+]C[C@H](O)Cn2cccn2)C1 ZINC001151073116 779802669 /nfs/dbraw/zinc/80/26/69/779802669.db2.gz GICBLVVVVPOAKK-STQMWFEESA-N 2 0 295.387 -1.099 20 0 CAADRP CNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001151065871 779803457 /nfs/dbraw/zinc/80/34/57/779803457.db2.gz NYMWDADOXWLDBM-UWVGGRQHSA-N 2 0 299.375 -1.512 20 0 CAADRP CCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001151049567 779803546 /nfs/dbraw/zinc/80/35/46/779803546.db2.gz SBIMVBGUGQQSOT-JTQLQIEISA-N 2 0 299.375 -1.510 20 0 CAADRP CNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)C[NH+]1CCCC1 ZINC001151101900 779804232 /nfs/dbraw/zinc/80/42/32/779804232.db2.gz ZGTPIPJFZKQRFK-JTQLQIEISA-N 2 0 299.375 -1.368 20 0 CAADRP CNC(=O)[C@H](C)[NH2+]CCNC(=O)C[NH+]1CCCC1 ZINC001151100423 779804324 /nfs/dbraw/zinc/80/43/24/779804324.db2.gz CSZOGHBYAPTGKL-JTQLQIEISA-N 2 0 256.350 -1.078 20 0 CAADRP CCNC(=O)C[NH2+]CCNC(=O)C[NH+]1CCCC1 ZINC001151098397 779804352 /nfs/dbraw/zinc/80/43/52/779804352.db2.gz ZLMAYGWQOAMOMC-UHFFFAOYSA-N 2 0 256.350 -1.076 20 0 CAADRP CNC(=O)C[NH2+]CCNC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001151152521 779804493 /nfs/dbraw/zinc/80/44/93/779804493.db2.gz VFFWHFYFUBVMLZ-NSHDSACASA-N 2 0 286.376 -1.594 20 0 CAADRP O=C(C[NH+]1CCCC1)NCC[NH2+]CCOCCO ZINC001151096462 779804530 /nfs/dbraw/zinc/80/45/30/779804530.db2.gz APZYXQDPLIXQQS-UHFFFAOYSA-N 2 0 259.350 -1.203 20 0 CAADRP C[C@H]([NH2+]CCNC(=O)[C@@H]1CC[N@H+](C)C1)C(=O)NC(N)=O ZINC001151074378 779804604 /nfs/dbraw/zinc/80/46/04/779804604.db2.gz XLGRCWRYYSUNOD-DTWKUNHWSA-N 2 0 285.348 -1.773 20 0 CAADRP COC[C@H](O)C[NH2+]CCNC(=O)C[NH+]1CCCC1 ZINC001151098400 779804793 /nfs/dbraw/zinc/80/47/93/779804793.db2.gz ZOJYMJMLWLNKJV-LLVKDONJSA-N 2 0 259.350 -1.205 20 0 CAADRP CS(=O)(=O)NCC[NH2+]CCNC(=O)C[NH+]1CCCC1 ZINC001151101871 779805058 /nfs/dbraw/zinc/80/50/58/779805058.db2.gz YVWFODRTYOQGQO-UHFFFAOYSA-N 2 0 292.405 -1.663 20 0 CAADRP O=C(C[NH+]1CCCC1)NCC[NH2+][C@H]1CCNC1=O ZINC001151097725 779805188 /nfs/dbraw/zinc/80/51/88/779805188.db2.gz QMQIRFKQDSWYAC-JTQLQIEISA-N 2 0 254.334 -1.324 20 0 CAADRP CNC(=O)C[NH2+]CCNC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001151152518 779805394 /nfs/dbraw/zinc/80/53/94/779805394.db2.gz VFFWHFYFUBVMLZ-LLVKDONJSA-N 2 0 286.376 -1.594 20 0 CAADRP C[C@H](C[NH+]1CCOCC1)C(=O)NCC[NH2+]CCO ZINC001151158517 779805822 /nfs/dbraw/zinc/80/58/22/779805822.db2.gz PCNPDSJXBOTSMM-LLVKDONJSA-N 2 0 259.350 -1.347 20 0 CAADRP C[C@@H](C[NH+]1CCOCC1)C(=O)NCC[NH2+][C@@H](C)C(N)=O ZINC001151156332 779806052 /nfs/dbraw/zinc/80/60/52/779806052.db2.gz ALCKVJROOZCCGV-QWRGUYRKSA-N 2 0 286.376 -1.466 20 0 CAADRP C[C@@H](C[NH+]1CCOCC1)C(=O)NCC[NH2+][C@H]1CCNC1=O ZINC001151157954 779806677 /nfs/dbraw/zinc/80/66/77/779806677.db2.gz NQDZUGBPEDGPNE-RYUDHWBXSA-N 2 0 298.387 -1.451 20 0 CAADRP C[C@@H]([NH2+]CCNC(=O)[C@@H](C)C[NH+]1CCOCC1)C(N)=O ZINC001151156333 779806884 /nfs/dbraw/zinc/80/68/84/779806884.db2.gz ALCKVJROOZCCGV-WDEREUQCSA-N 2 0 286.376 -1.466 20 0 CAADRP CC(C)[N@H+](C)CC(=O)NCC[NH2+][C@@H](C)C(=O)NC(N)=O ZINC001152445259 779823734 /nfs/dbraw/zinc/82/37/34/779823734.db2.gz FSPLSCSVAYEDDV-VIFPVBQESA-N 2 0 287.364 -1.384 20 0 CAADRP CC(C)[N@H+](C)CC(=O)NCC[NH2+][C@H]1CCC(=O)NC1=O ZINC001152426077 779823754 /nfs/dbraw/zinc/82/37/54/779823754.db2.gz CGPMFYHNYJSXCL-JTQLQIEISA-N 2 0 284.360 -1.162 20 0 CAADRP CNC(=O)NC(=O)C[NH2+]CCNC(=O)C[N@H+](C)C(C)C ZINC001152439422 779824588 /nfs/dbraw/zinc/82/45/88/779824588.db2.gz LLRSATVWNSPHSZ-UHFFFAOYSA-N 2 0 287.364 -1.512 20 0 CAADRP CC(C)[N@H+](C)CC(=O)NCC[NH2+]CCNS(C)(=O)=O ZINC001152432514 779824663 /nfs/dbraw/zinc/82/46/63/779824663.db2.gz IZQSRTLNCFKDOF-UHFFFAOYSA-N 2 0 294.421 -1.418 20 0 CAADRP Cn1[nH]c(C[NH2+]CCCNC(=O)[C@H]2CCC[N@@H+]2C)nc1=O ZINC001155790979 779877198 /nfs/dbraw/zinc/87/71/98/779877198.db2.gz QDAOGNDHTMTSBK-SNVBAGLBSA-N 2 0 296.375 -1.202 20 0 CAADRP C[C@H]([NH2+]CCCNC(=O)[C@@H]1CCC[N@@H+]1C)C(=O)NC(N)=O ZINC001155821916 779877274 /nfs/dbraw/zinc/87/72/74/779877274.db2.gz FDNLZGMJZISAFO-UWVGGRQHSA-N 2 0 299.375 -1.240 20 0 CAADRP C[N@@H+]1CCC[C@@H]1C(=O)NCCC[NH2+]CC(=O)NC(N)=O ZINC001155791284 779877764 /nfs/dbraw/zinc/87/77/64/779877764.db2.gz VFWKENSVGGWWNW-SECBINFHSA-N 2 0 285.348 -1.629 20 0 CAADRP CNC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001155791812 779877851 /nfs/dbraw/zinc/87/78/51/779877851.db2.gz YSPLLSCDOWLQQT-JTQLQIEISA-N 2 0 299.375 -1.368 20 0 CAADRP C[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CC(=O)NC(N)=O ZINC001155791285 779877986 /nfs/dbraw/zinc/87/79/86/779877986.db2.gz VFWKENSVGGWWNW-VIFPVBQESA-N 2 0 285.348 -1.629 20 0 CAADRP C[N@@H+]1CCC[C@@H]1C(=O)NCCC[NH2+][C@H]1CCC(=O)NC1=O ZINC001155795529 779878131 /nfs/dbraw/zinc/87/81/31/779878131.db2.gz HSBBDQUTDBTOSZ-WDEREUQCSA-N 2 0 296.371 -1.018 20 0 CAADRP [NH3+]CCN(CCO)c1ccc(N2CC[NH2+]CC2)nn1 ZINC001155949267 779879684 /nfs/dbraw/zinc/87/96/84/779879684.db2.gz HVJXFGOALGMEMK-UHFFFAOYSA-N 2 0 266.349 -1.356 20 0 CAADRP [NH3+]CCc1nnn(-c2ccc(N3CC[NH2+]CC3)cn2)n1 ZINC001156988694 779893324 /nfs/dbraw/zinc/89/33/24/779893324.db2.gz GZRKUQRDRMTOLH-UHFFFAOYSA-N 2 0 274.332 -1.032 20 0 CAADRP CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H]1C[NH2+]CCN1 ZINC001157335202 779899504 /nfs/dbraw/zinc/89/95/04/779899504.db2.gz DTDPMAFDYNDQSL-UWVGGRQHSA-N 2 0 271.365 -2.092 20 0 CAADRP CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H]1[NH2+]CC[C@@H]1O ZINC001157335246 779899519 /nfs/dbraw/zinc/89/95/19/779899519.db2.gz FDXRIMMAUDYVON-GUBZILKMSA-N 2 0 272.349 -1.931 20 0 CAADRP CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H]1C[NH2+]C[C@@H]1O ZINC001157336336 779899547 /nfs/dbraw/zinc/89/95/47/779899547.db2.gz NGQXVMVTVTUEBA-GUBZILKMSA-N 2 0 272.349 -2.074 20 0 CAADRP CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@]12C[NH2+]C[C@@H]1CCN2 ZINC001157322941 779899562 /nfs/dbraw/zinc/89/95/62/779899562.db2.gz FPRGFSBLBGDYEM-COPLHBTASA-N 2 0 297.403 -1.702 20 0 CAADRP CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H]([NH3+])CCC[NH3+] ZINC001157323437 779899589 /nfs/dbraw/zinc/89/95/89/779899589.db2.gz PYNRIBPVNQSFFG-ZJUUUORDSA-N 3 0 273.381 -1.588 20 0 CAADRP CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H]1C[N@H+](C)CCN1C ZINC001157335786 779899664 /nfs/dbraw/zinc/89/96/64/779899664.db2.gz JVOBQPNEPDCGJO-RYUDHWBXSA-N 2 0 299.419 -1.408 20 0 CAADRP CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@]1(N)CC[NH2+]C1 ZINC001157335880 779899772 /nfs/dbraw/zinc/89/97/72/779899772.db2.gz LBRPMJZIFHXJJI-CABZTGNLSA-N 2 0 271.365 -1.963 20 0 CAADRP CNC(=O)[C@H](CCCC[NH3+])NC(=O)C[C@@H]1COCC[NH2+]1 ZINC001157336331 779899787 /nfs/dbraw/zinc/89/97/87/779899787.db2.gz NDOQDKUNIOOLRG-MNOVXSKESA-N 2 0 286.376 -1.275 20 0 CAADRP CNC(=O)[C@H](CCCC[NH3+])NC(=O)CNCC[NH3+] ZINC001157335108 779899808 /nfs/dbraw/zinc/89/98/08/779899808.db2.gz DPZAXABJZJLBOD-VIFPVBQESA-N 2 0 259.354 -2.106 20 0 CAADRP CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@]12C[NH2+][C@@H](CO1)C2 ZINC001157323633 779899814 /nfs/dbraw/zinc/89/98/14/779899814.db2.gz LOUYWEFFBPZRMS-GBIKHYSHSA-N 2 0 284.360 -1.523 20 0 CAADRP CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H]1C[NH2+]C[C@H](O)C1 ZINC001157323861 779899863 /nfs/dbraw/zinc/89/98/63/779899863.db2.gz YRIKGKCMSWHEGU-MXWKQRLJSA-N 2 0 286.376 -1.683 20 0 CAADRP CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H]1C[NH2+]C[C@H]1O ZINC001157336338 779899869 /nfs/dbraw/zinc/89/98/69/779899869.db2.gz NGQXVMVTVTUEBA-KXUCPTDWSA-N 2 0 272.349 -2.074 20 0 CAADRP CNC(=O)[C@H](CCCC[NH3+])NC(=O)C[C@H]1COCC[NH2+]1 ZINC001157336332 779899988 /nfs/dbraw/zinc/89/99/88/779899988.db2.gz NDOQDKUNIOOLRG-QWRGUYRKSA-N 2 0 286.376 -1.275 20 0 CAADRP CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC001157322984 779900008 /nfs/dbraw/zinc/90/00/08/779900008.db2.gz HJQDIUFPXXQNMB-VLEAKVRGSA-N 2 0 268.361 -1.188 20 0 CAADRP CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H]1COC[C@H]1[NH3+] ZINC001157337458 779900495 /nfs/dbraw/zinc/90/04/95/779900495.db2.gz UYVQIJAWZHZWBH-AEJSXWLSSA-N 2 0 272.349 -1.680 20 0 CAADRP CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H]1C[C@@H]([NH3+])CN1 ZINC001157337914 779900571 /nfs/dbraw/zinc/90/05/71/779900571.db2.gz ZEBIMPVMSVIHLZ-UTLUCORTSA-N 2 0 271.365 -1.965 20 0 CAADRP CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H]([NH3+])C1CC[NH2+]CC1 ZINC001157337529 779900689 /nfs/dbraw/zinc/90/06/89/779900689.db2.gz XHVGMOHPXYSTCZ-RYUDHWBXSA-N 3 0 299.419 -1.327 20 0 CAADRP CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H]([NH3+])C1CC[NH2+]CC1 ZINC001157337528 779900782 /nfs/dbraw/zinc/90/07/82/779900782.db2.gz XHVGMOHPXYSTCZ-NWDGAFQWSA-N 3 0 299.419 -1.327 20 0 CAADRP N[C@@H](C[NH3+])C(=O)N[C@@H](CCCC[NH3+])C(=O)N1CCCC1 ZINC001157371736 779901999 /nfs/dbraw/zinc/90/19/99/779901999.db2.gz YMNUSSWGKLXDJA-QWRGUYRKSA-N 2 0 285.392 -1.491 20 0 CAADRP Cn1ccnc1CCNC(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001157424232 779902688 /nfs/dbraw/zinc/90/26/88/779902688.db2.gz WZSXAVWEXGXJLQ-LBPRGKRZSA-N 2 0 294.403 -1.171 20 0 CAADRP CN1CCN(C(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)CC1 ZINC001157451622 779902699 /nfs/dbraw/zinc/90/26/99/779902699.db2.gz ZFKYDSWLXZHMPJ-LBPRGKRZSA-N 2 0 269.393 -1.489 20 0 CAADRP CCOC(=O)CC1([NH3+])CCN(C(=O)[C@@H](N)C[NH3+])CC1 ZINC001157449324 779902990 /nfs/dbraw/zinc/90/29/90/779902990.db2.gz XKHXWLKUBGBIOS-VIFPVBQESA-N 2 0 272.349 -1.455 20 0 CAADRP CCOC(=O)CC1([NH3+])CCN(C(=O)[C@H]2C[NH2+]C[C@@H]2N)CC1 ZINC001157449270 779903100 /nfs/dbraw/zinc/90/31/00/779903100.db2.gz VDJCYQGCQBCIDI-QWRGUYRKSA-N 2 0 298.387 -1.194 20 0 CAADRP CCOC(=O)CC1([NH3+])CCN(C(=O)[C@@H](N)CC[NH3+])CC1 ZINC001157449091 779903304 /nfs/dbraw/zinc/90/33/04/779903304.db2.gz REDWQDKCGRTRPU-JTQLQIEISA-N 2 0 286.376 -1.064 20 0 CAADRP CCOC(=O)CC1([NH3+])CCN(C(=O)[C@]2(N)CC[NH2+]C2)CC1 ZINC001157448622 779903317 /nfs/dbraw/zinc/90/33/17/779903317.db2.gz CHSHHLMOPCFTDU-AWEZNQCLSA-N 2 0 298.387 -1.050 20 0 CAADRP CCOC(=O)CC1([NH3+])CCN(C(=O)CNCC[NH3+])CC1 ZINC001157449278 779903525 /nfs/dbraw/zinc/90/35/25/779903525.db2.gz VGDWAEZPWRRDBO-UHFFFAOYSA-N 2 0 286.376 -1.192 20 0 CAADRP CNC(=O)C1CCN(C(=O)[C@@H]([NH3+])CSCC[NH3+])CC1 ZINC001157495937 779905314 /nfs/dbraw/zinc/90/53/14/779905314.db2.gz OYELBOHUENZMSD-JTQLQIEISA-N 2 0 288.417 -1.010 20 0 CAADRP CN1CCN(C(=O)[C@@H]([NH3+])CSCC[NH3+])CC1=O ZINC001157486554 779905673 /nfs/dbraw/zinc/90/56/73/779905673.db2.gz XVTSTQDQMFHSRA-QMMMGPOBSA-N 2 0 260.363 -1.694 20 0 CAADRP [NH3+][C@@H](C(=O)N1CCn2cnnc2C1)C1CC[NH2+]CC1 ZINC001157507164 779907047 /nfs/dbraw/zinc/90/70/47/779907047.db2.gz FJVFGXCCEHEXFL-LLVKDONJSA-N 2 0 264.333 -1.053 20 0 CAADRP O=C([C@H]1C[NH2+]CC12C[NH2+]C2)N1CC(N2CC(F)C2)C1 ZINC001157527321 779907730 /nfs/dbraw/zinc/90/77/30/779907730.db2.gz MJJMXYHFOWZZBK-LLVKDONJSA-N 2 0 268.336 -1.340 20 0 CAADRP [NH3+][C@H]1CN(C(=O)[C@@H]2COC3(C[NH2+]C3)CN2)C[C@H]1F ZINC001157535924 779907970 /nfs/dbraw/zinc/90/79/70/779907970.db2.gz FHVXQIFYVOQRTJ-VGMNWLOBSA-N 2 0 258.297 -2.176 20 0 CAADRP CCOC(=O)C1(C(=O)N2C[C@@H](F)[C@@H]([NH3+])C2)C[NH2+]C1 ZINC001157537061 779908100 /nfs/dbraw/zinc/90/81/00/779908100.db2.gz UPNXGCNDSUYDSH-SFYZADRCSA-N 2 0 259.281 -1.353 20 0 CAADRP C[S@](=O)CC[C@H]([NH3+])C(=O)N1C[C@@H](F)[C@@H]([NH3+])C1 ZINC001157538989 779908114 /nfs/dbraw/zinc/90/81/14/779908114.db2.gz VVAICCRZNXVORP-MKIUOGOPSA-N 2 0 251.327 -1.410 20 0 CAADRP C[S@@](=O)CC[C@H]([NH3+])C(=O)N1C[C@@H](F)[C@@H]([NH3+])C1 ZINC001157538990 779908349 /nfs/dbraw/zinc/90/83/49/779908349.db2.gz VVAICCRZNXVORP-STTZZVJOSA-N 2 0 251.327 -1.410 20 0 CAADRP CC1([NH3+])CN(C(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)C1 ZINC001157652025 779908845 /nfs/dbraw/zinc/90/88/45/779908845.db2.gz VSEXGKNTTWVIPA-SNVBAGLBSA-N 3 0 255.366 -1.704 20 0 CAADRP CC1([NH3+])CN(C(=O)[C@@H]2Cn3nnnc3C23CC[NH2+]CC3)C1 ZINC001157629784 779909392 /nfs/dbraw/zinc/90/93/92/779909392.db2.gz SNCFTXHBGQKHCN-VIFPVBQESA-N 2 0 291.359 -1.516 20 0 CAADRP CC1([NH3+])CN(C(=O)[C@@H]2CNC(=O)C23CC[NH2+]CC3)C1 ZINC001157633868 779909725 /nfs/dbraw/zinc/90/97/25/779909725.db2.gz RYMVWPOEBLEMBT-VIFPVBQESA-N 2 0 266.345 -1.338 20 0 CAADRP CC(=O)NCSC[C@H]([NH3+])C(=O)N1CC(C)([NH3+])C1 ZINC001157643684 779909882 /nfs/dbraw/zinc/90/98/82/779909882.db2.gz HGZNXGDHXQZFGD-QMMMGPOBSA-N 2 0 260.363 -1.300 20 0 CAADRP CN(C[C@@H]1C[NH2+]CCO1)C(=O)[C@]12C[NH2+]C[C@H]1CCN2 ZINC001157715525 779910072 /nfs/dbraw/zinc/91/00/72/779910072.db2.gz FQEUPUWJJUFKMW-MDZLAQPJSA-N 2 0 268.361 -1.615 20 0 CAADRP C[NH+](C)C1CN(C(=O)[C@@H]2CCCN2C(=O)C[NH3+])C1 ZINC001157688312 779910211 /nfs/dbraw/zinc/91/02/11/779910211.db2.gz FEPAWLLBQOWSEO-JTQLQIEISA-N 2 0 254.334 -1.292 20 0 CAADRP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N1CC([NH+](C)C)C1 ZINC001157689805 779910251 /nfs/dbraw/zinc/91/02/51/779910251.db2.gz ZBGZYKJEYKDTNW-CBAPKCEASA-N 2 0 285.348 -2.534 20 0 CAADRP CN(C[C@@H]1C[NH2+]CCO1)C(=O)[C@]12C[NH2+]C[C@@H]1CCN2 ZINC001157715524 779910508 /nfs/dbraw/zinc/91/05/08/779910508.db2.gz FQEUPUWJJUFKMW-GVXVVHGQSA-N 2 0 268.361 -1.615 20 0 CAADRP CN(C[C@H]1C[NH2+]CCO1)C(=O)CNC1CC[NH2+]CC1 ZINC001157715311 779910576 /nfs/dbraw/zinc/91/05/76/779910576.db2.gz DMYJWFAXYIZNBM-GFCCVEGCSA-N 2 0 270.377 -1.225 20 0 CAADRP CN(C[C@@H]1C[NH2+]CCO1)C(=O)CN1CC[NH2+]CC1 ZINC001157715228 779910592 /nfs/dbraw/zinc/91/05/92/779910592.db2.gz CQBJPLMDGXFFRC-NSHDSACASA-N 2 0 256.350 -1.662 20 0 CAADRP CN(C[C@H]1C[NH2+]CCO1)C(=O)[C@@]12CC[C@@H](N1)[C@H]([NH3+])C2 ZINC001157715549 779910640 /nfs/dbraw/zinc/91/06/40/779910640.db2.gz GNUNZTBHWCUIJP-UZWSLXQKSA-N 2 0 268.361 -1.345 20 0 CAADRP C[NH+](C)C1CN(C(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)C1 ZINC001157689287 779910707 /nfs/dbraw/zinc/91/07/07/779910707.db2.gz TWOQQKHEAGHZBC-LBPRGKRZSA-N 3 0 269.393 -1.491 20 0 CAADRP CN(C[C@@H]1C[NH2+]CCO1)C(=O)[C@H]([NH3+])Cc1cnc[nH]1 ZINC001157715346 779910742 /nfs/dbraw/zinc/91/07/42/779910742.db2.gz DRQUIXLMXZDJRX-WDEREUQCSA-N 2 0 267.333 -1.274 20 0 CAADRP C[NH+](C)C1CN(C(=O)[C@H]([NH3+])CCCNC(N)=O)C1 ZINC001157681701 779910781 /nfs/dbraw/zinc/91/07/81/779910781.db2.gz NAGFDYYVNOHTFW-SECBINFHSA-N 2 0 257.338 -1.465 20 0 CAADRP C[NH+](C)C1CN(C(=O)CN(CC[NH3+])S(C)(=O)=O)C1 ZINC001157689649 779910834 /nfs/dbraw/zinc/91/08/34/779910834.db2.gz VYERVISNAWUSHK-UHFFFAOYSA-N 2 0 278.378 -2.021 20 0 CAADRP CCNC(=O)CN(C)C(=O)[C@@H]([NH3+])C1CC[NH2+]CC1 ZINC001157678985 779911002 /nfs/dbraw/zinc/91/10/02/779911002.db2.gz LKOSEHWFNZAYGF-NSHDSACASA-N 2 0 256.350 -1.092 20 0 CAADRP CN(C[C@H]1C[NH2+]CCO1)C(=O)C[C@H]1COCC[NH2+]1 ZINC001157720163 779911900 /nfs/dbraw/zinc/91/19/00/779911900.db2.gz BKAUTQHGWAUQGF-WDEREUQCSA-N 2 0 257.334 -1.188 20 0 CAADRP CN(C[C@@H]1C[NH2+]CCO1)C(=O)[C@@H]([NH3+])C1CC[NH2+]CC1 ZINC001157721251 779912113 /nfs/dbraw/zinc/91/21/13/779912113.db2.gz WAENXFXKDAFXRP-RYUDHWBXSA-N 3 0 270.377 -1.240 20 0 CAADRP CN(C[C@@H]1C[NH2+]CCO1)C(=O)[C@@H]1CCCN1C(=O)C[NH3+] ZINC001157720149 779912146 /nfs/dbraw/zinc/91/21/46/779912146.db2.gz AZBHBPARFCISDQ-QWRGUYRKSA-N 2 0 284.360 -1.617 20 0 CAADRP CN(C[C@@H]1C[NH2+]CCO1)C(=O)C[C@@H]1COCC[NH2+]1 ZINC001157720161 779912176 /nfs/dbraw/zinc/91/21/76/779912176.db2.gz BKAUTQHGWAUQGF-MNOVXSKESA-N 2 0 257.334 -1.188 20 0 CAADRP CN(C[C@@H]1C[NH2+]CCO1)C(=O)[C@@]1(N)CCC[NH2+]C1 ZINC001157721254 779912295 /nfs/dbraw/zinc/91/22/95/779912295.db2.gz WEENYITXUTVIAB-CMPLNLGQSA-N 2 0 256.350 -1.486 20 0 CAADRP CN(C[C@@H]1C[NH2+]CCO1)C(=O)[C@@H]([NH3+])CC[S@](C)=O ZINC001157721218 779912427 /nfs/dbraw/zinc/91/24/27/779912427.db2.gz VHJDEJHZDNOPTQ-RAALSFIWSA-N 2 0 277.390 -1.471 20 0 CAADRP CN(C[C@@H]1C[NH2+]CCO1)C(=O)C[C@H]1COCC[NH2+]1 ZINC001157720162 779912475 /nfs/dbraw/zinc/91/24/75/779912475.db2.gz BKAUTQHGWAUQGF-QWRGUYRKSA-N 2 0 257.334 -1.188 20 0 CAADRP C[C@@H]1CCN(C(=O)[C@H]2NC(=O)CC23C[NH2+]C3)C[C@@H]1[NH3+] ZINC001157799753 779913367 /nfs/dbraw/zinc/91/33/67/779913367.db2.gz SBVPCJIEJRKGFA-WCABBAIRSA-N 2 0 266.345 -1.340 20 0 CAADRP O=C([C@@H]1C[NH2+]CC12C[NH2+]C2)N1CC[C@@H](O)[C@H](F)C1 ZINC001157856232 779914667 /nfs/dbraw/zinc/91/46/67/779914667.db2.gz SUQZZWCUVBAZTL-IVZWLZJFSA-N 2 0 257.309 -1.273 20 0 CAADRP O=C([C@H]1C[NH2+]CC12C[NH2+]C2)N1CC(=O)N(C2CC2)C(=O)C1 ZINC001157853454 779914880 /nfs/dbraw/zinc/91/48/80/779914880.db2.gz CXJIFHAXPCQBAS-SNVBAGLBSA-N 2 0 292.339 -1.845 20 0 CAADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)N1CC[C@@H](O)[C@H](F)C1 ZINC001157856569 779914887 /nfs/dbraw/zinc/91/48/87/779914887.db2.gz WIUYTYLVKNYFNV-IJLUTSLNSA-N 2 0 288.367 -1.332 20 0 CAADRP O=C([C@@H]1C[NH2+]CC12C[NH2+]C2)N1CC(=O)N(C2CC2)C(=O)C1 ZINC001157853453 779914970 /nfs/dbraw/zinc/91/49/70/779914970.db2.gz CXJIFHAXPCQBAS-JTQLQIEISA-N 2 0 292.339 -1.845 20 0 CAADRP [NH3+][C@H]1CN[C@H](C(=O)N2CC(=O)N(C3CC3)C(=O)C2)C1 ZINC001157863015 779915027 /nfs/dbraw/zinc/91/50/27/779915027.db2.gz PIDABNNUPNHTSP-APPZFPTMSA-N 2 0 266.301 -1.965 20 0 CAADRP C[C@H]1C[C@@H](CO)N(C(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)C1 ZINC001157853386 779915425 /nfs/dbraw/zinc/91/54/25/779915425.db2.gz AUYWPTXWNQTFLH-DRZSPHRISA-N 2 0 284.404 -1.034 20 0 CAADRP [NH3+][C@@H](C(=O)N1CCCNC(=O)C1)C1CC[NH2+]CC1 ZINC001157888125 779915999 /nfs/dbraw/zinc/91/59/99/779915999.db2.gz CPZBDDJATNWXFK-LLVKDONJSA-N 2 0 254.334 -1.338 20 0 CAADRP O=C(N1CC[C@@H](CO)[C@@H](O)C1)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001157903346 779916732 /nfs/dbraw/zinc/91/67/32/779916732.db2.gz GACXOXVTPIIZMB-KZVDOYCCSA-N 2 0 283.372 -1.613 20 0 CAADRP [NH3+]CCSC[C@H]([NH3+])C(=O)N1CC[C@H](CO)[C@H](O)C1 ZINC001157904423 779917176 /nfs/dbraw/zinc/91/71/76/779917176.db2.gz LXZNZXAEGHHTDM-KXUCPTDWSA-N 2 0 277.390 -1.793 20 0 CAADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N1CC[C@H](CO)[C@@H](O)C1 ZINC001157905166 779917362 /nfs/dbraw/zinc/91/73/62/779917362.db2.gz RMKIKBUWPXTIKS-WOPDTQHZSA-N 2 0 273.377 -1.095 20 0 CAADRP [NH3+]CCSC[C@H]([NH3+])C(=O)N1CC[C@H](CO)[C@@H](O)C1 ZINC001157904425 779917396 /nfs/dbraw/zinc/91/73/96/779917396.db2.gz LXZNZXAEGHHTDM-UTLUCORTSA-N 2 0 277.390 -1.793 20 0 CAADRP [NH3+]CCSC[C@H]([NH3+])C(=O)N1CC[C@@H](CO)[C@H](O)C1 ZINC001157904424 779917462 /nfs/dbraw/zinc/91/74/62/779917462.db2.gz LXZNZXAEGHHTDM-LPEHRKFASA-N 2 0 277.390 -1.793 20 0 CAADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CC[C@@H](CO)[C@H](O)C1 ZINC001157904826 779917948 /nfs/dbraw/zinc/91/79/48/779917948.db2.gz OCUYUYHDBXTNSK-GARJFASQSA-N 2 0 259.350 -1.356 20 0 CAADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N1CC[C@H](CO)[C@H](O)C1 ZINC001157905163 779918012 /nfs/dbraw/zinc/91/80/12/779918012.db2.gz RMKIKBUWPXTIKS-GRYCIOLGSA-N 2 0 273.377 -1.095 20 0 CAADRP O=C([C@@H]1C[NH2+]CC12C[NH2+]C2)N1CC[C@H](O)[C@H](CO)C1 ZINC001157935349 779918990 /nfs/dbraw/zinc/91/89/90/779918990.db2.gz ULGWPPMVGMUZLT-DCAQKATOSA-N 2 0 269.345 -2.003 20 0 CAADRP C[C@]1(CO)CCN(C(=O)[C@@H]([NH3+])CSCC[NH3+])C[C@H]1O ZINC001157944282 779919752 /nfs/dbraw/zinc/91/97/52/779919752.db2.gz JKEPDVXDKMOGSD-HOSYDEDBSA-N 2 0 291.417 -1.403 20 0 CAADRP C[C@]1(CO)CN(C(=O)[C@H]([NH3+])CCC[NH3+])CC[C@H]1O ZINC001157945238 779920199 /nfs/dbraw/zinc/92/01/99/779920199.db2.gz LASDFCGQBUJULI-CKYFFXLPSA-N 2 0 259.350 -1.356 20 0 CAADRP C[C@]1(CO)CCN(C(=O)[C@H]([NH3+])C2CC[NH2+]CC2)C[C@@H]1O ZINC001157944209 779920272 /nfs/dbraw/zinc/92/02/72/779920272.db2.gz IQKGXSDTQZECMN-OUCADQQQSA-N 2 0 285.388 -1.095 20 0 CAADRP C[C@]1(CO)CN(C(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)CC[C@H]1O ZINC001157945795 779920920 /nfs/dbraw/zinc/92/09/20/779920920.db2.gz LKTUOTVRAOWZJV-QHSBEEBCSA-N 2 0 297.399 -1.223 20 0 CAADRP C[C@]1(CO)CN(C(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)CC[C@@H]1O ZINC001157945401 779921027 /nfs/dbraw/zinc/92/10/27/779921027.db2.gz LJKLXVQDXZYBNX-GMXVVIOVSA-N 2 0 283.372 -1.613 20 0 CAADRP CCOC(=O)[C@H]1CNCCN1C(=O)[C@@H]([NH3+])C1CC[NH2+]CC1 ZINC001157999468 779924120 /nfs/dbraw/zinc/92/41/20/779924120.db2.gz RNVKITYZQKYHCZ-NEPJUHHUSA-N 2 0 298.387 -1.323 20 0 CAADRP [NH3+]C[C@H](O)CC(=O)N1CCOC2(CC[NH2+]CC2)C1 ZINC001158070914 779924670 /nfs/dbraw/zinc/92/46/70/779924670.db2.gz RMKBXWKZYXVNNM-SNVBAGLBSA-N 2 0 257.334 -1.323 20 0 CAADRP O=C([C@@H]1C[C@H]2C[NH2+]C[C@H]2N1)N1CCOC2(CC[NH2+]CC2)C1 ZINC001158070600 779925064 /nfs/dbraw/zinc/92/50/64/779925064.db2.gz KDWQKRXMSFCIAD-RWMBFGLXSA-N 2 0 294.399 -1.083 20 0 CAADRP CCOC(=O)[C@H]1CNCCN1C(=O)C[NH2+]CCC[NH3+] ZINC001158006971 779925169 /nfs/dbraw/zinc/92/51/69/779925169.db2.gz OPNZORBRBYWSCJ-SNVBAGLBSA-N 2 0 272.349 -1.712 20 0 CAADRP O=C(N1CCOC2(CC[NH2+]CC2)C1)[C@@]12C[NH2+]C[C@H]1CCN2 ZINC001158070450 779925219 /nfs/dbraw/zinc/92/52/19/779925219.db2.gz IERLIYLQVDXYIR-IUODEOHRSA-N 2 0 294.399 -1.081 20 0 CAADRP O=C([C@@H]1C[NH2+]CC12C[NH2+]C2)N1CCOC2(CC[NH2+]CC2)C1 ZINC001158070646 779925301 /nfs/dbraw/zinc/92/53/01/779925301.db2.gz LZNRRZCOOWCPBP-LBPRGKRZSA-N 3 0 294.399 -1.224 20 0 CAADRP O=C(N1CCOC2(CC[NH2+]CC2)C1)[C@@]12C[NH2+]C[C@@H]1CCN2 ZINC001158070451 779925310 /nfs/dbraw/zinc/92/53/10/779925310.db2.gz IERLIYLQVDXYIR-SWLSCSKDSA-N 2 0 294.399 -1.081 20 0 CAADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N1CC(=O)NC[C@@]12CC[NH2+]C2 ZINC001158091908 779925664 /nfs/dbraw/zinc/92/56/64/779925664.db2.gz JWQBCXTXDWFMRU-FZMZJTMJSA-N 3 0 297.403 -1.606 20 0 CAADRP O=C([C@H]1[NH2+]CC[C@@H]1O)N1CCOC2(CC[NH2+]CC2)C1 ZINC001158077241 779925939 /nfs/dbraw/zinc/92/59/39/779925939.db2.gz RVQAMBVQKAFILI-QWRGUYRKSA-N 2 0 269.345 -1.310 20 0 CAADRP [NH3+]Cc1nnnn1-c1nccc(N2CCC([NH3+])CC2)n1 ZINC001158077509 779925995 /nfs/dbraw/zinc/92/59/95/779925995.db2.gz SVDSEKQUMIVJLH-UHFFFAOYSA-N 2 0 275.320 -1.162 20 0 CAADRP O=C([C@H]1C[C@@H](O)C[NH2+]1)N1CC(=O)NC[C@@]12CC[NH2+]C2 ZINC001158091327 779926100 /nfs/dbraw/zinc/92/61/00/779926100.db2.gz ALCIXORVNMPLTP-LNLATYFQSA-N 2 0 268.317 -2.600 20 0 CAADRP O=C([C@H]1C[NH2+]CCN1)N1CCOC2(CC[NH2+]CC2)C1 ZINC001158076595 779926135 /nfs/dbraw/zinc/92/61/35/779926135.db2.gz LDMZCYSRVBRARX-LLVKDONJSA-N 2 0 268.361 -1.471 20 0 CAADRP [NH3+]Cc1nnnn1-c1cncc(N2CC[NH2+]CC2)n1 ZINC001158077109 779926276 /nfs/dbraw/zinc/92/62/76/779926276.db2.gz OJHDLGCNWDDACW-UHFFFAOYSA-N 2 0 261.293 -1.679 20 0 CAADRP [NH3+]C[C@@H](O)CC(=O)N1CC(=O)NC[C@@]12CC[NH2+]C2 ZINC001158091321 779926310 /nfs/dbraw/zinc/92/63/10/779926310.db2.gz AJALYVVNTGMCSE-KWQFWETISA-N 2 0 256.306 -2.613 20 0 CAADRP O=C(CN1CC[NH2+]CC1)N1CC(=O)NC[C@]12CC[NH2+]C2 ZINC001158091731 779926365 /nfs/dbraw/zinc/92/63/65/779926365.db2.gz HMKSHLGBLVEZAZ-CYBMUJFWSA-N 2 0 281.360 -2.418 20 0 CAADRP N[C@]1(C(=O)N2CCOC3(CC[NH2+]CC3)C2)CC[NH2+]C1 ZINC001158076324 779926384 /nfs/dbraw/zinc/92/63/84/779926384.db2.gz DWMRNJXGKBTVSR-CYBMUJFWSA-N 2 0 268.361 -1.342 20 0 CAADRP N[C@@]1(C(=O)N2CCOC3(CC[NH2+]CC3)C2)CC[NH2+]C1 ZINC001158076325 779926438 /nfs/dbraw/zinc/92/64/38/779926438.db2.gz DWMRNJXGKBTVSR-ZDUSSCGKSA-N 2 0 268.361 -1.342 20 0 CAADRP O=C([C@@H]1C[C@H]2C[NH2+]C[C@H]2N1)N1CC(=O)NC[C@]12CC[NH2+]C2 ZINC001158091854 779926502 /nfs/dbraw/zinc/92/65/02/779926502.db2.gz JAPFBRXHJDWIFJ-KZWBYHQPSA-N 2 0 293.371 -2.373 20 0 CAADRP O=C(CN1CC[NH2+]CC1)N1CC(=O)NC[C@@]12CC[NH2+]C2 ZINC001158091732 779926523 /nfs/dbraw/zinc/92/65/23/779926523.db2.gz HMKSHLGBLVEZAZ-ZDUSSCGKSA-N 2 0 281.360 -2.418 20 0 CAADRP NC1(C(=O)N2CC(=O)NC[C@@]23CC[NH2+]C3)CC[NH2+]CC1 ZINC001158102888 779926790 /nfs/dbraw/zinc/92/67/90/779926790.db2.gz XIQTXMIBRXAACQ-LBPRGKRZSA-N 2 0 281.360 -2.242 20 0 CAADRP O=C([C@@H]1C[NH2+]CCN1)N1CC(=O)NC[C@]12CC[NH2+]C2 ZINC001158100921 779926802 /nfs/dbraw/zinc/92/68/02/779926802.db2.gz CWJZMXITGUNPLY-JOYOIKCWSA-N 2 0 267.333 -2.762 20 0 CAADRP N[C@@]1(C(=O)N2CC(=O)NC[C@@]23CC[NH2+]C3)CC[NH2+]C1 ZINC001158102959 779926826 /nfs/dbraw/zinc/92/68/26/779926826.db2.gz YXIUZMHIRLWMRP-RYUDHWBXSA-N 2 0 267.333 -2.632 20 0 CAADRP O=C(C=C1CC[NH2+]CC1)N1CC(=O)NC[C@]12CC[NH2+]C2 ZINC001158102492 779926869 /nfs/dbraw/zinc/92/68/69/779926869.db2.gz SSOGRAKTVBKOEE-CQSZACIVSA-N 2 0 278.356 -1.013 20 0 CAADRP N[C@@H](CC[NH3+])C(=O)N1CC(=O)NC[C@@]12CC[NH2+]C2 ZINC001158101025 779926898 /nfs/dbraw/zinc/92/68/98/779926898.db2.gz FWUDTINFMKSDHW-KWQFWETISA-N 2 0 255.322 -2.647 20 0 CAADRP N[C@@H](CC[NH3+])C(=O)N1CC(=O)NC[C@]12CC[NH2+]C2 ZINC001158101024 779926907 /nfs/dbraw/zinc/92/69/07/779926907.db2.gz FWUDTINFMKSDHW-GZMMTYOYSA-N 2 0 255.322 -2.647 20 0 CAADRP O=C([C@@H]1C[C@H](O)C[NH2+]1)N1CC(=O)NC[C@@]12CC[NH2+]C2 ZINC001158100690 779926953 /nfs/dbraw/zinc/92/69/53/779926953.db2.gz ALCIXORVNMPLTP-AUTRQRHGSA-N 2 0 268.317 -2.600 20 0 CAADRP O=C(C1CC2(C[NH2+]C2)C1)N1CC(=O)NC[C@@]12CC[NH2+]C2 ZINC001158102903 779926969 /nfs/dbraw/zinc/92/69/69/779926969.db2.gz XUFKYTAJIJICSM-AWEZNQCLSA-N 2 0 278.356 -1.324 20 0 CAADRP O=C([C@H]1[C@@H]2C[NH2+]C[C@@H]21)N1CC(=O)NC[C@]12CC[NH2+]C2 ZINC001158101592 779926987 /nfs/dbraw/zinc/92/69/87/779926987.db2.gz KEDRXSAPUVBZOJ-UPBCOZELSA-N 2 0 264.329 -1.858 20 0 CAADRP N[C@]1(C(=O)N2CC(=O)NC[C@]23CC[NH2+]C3)CC[NH2+]C1 ZINC001158102960 779927017 /nfs/dbraw/zinc/92/70/17/779927017.db2.gz YXIUZMHIRLWMRP-VXGBXAGGSA-N 2 0 267.333 -2.632 20 0 CAADRP NC(=[NH2+])NCCCCC(=O)N1CC(=O)NC[C@@]12CC[NH2+]C2 ZINC001158101195 779927021 /nfs/dbraw/zinc/92/70/21/779927021.db2.gz HBJUNPJXJUKMMZ-ZDUSSCGKSA-N 2 0 296.375 -1.670 20 0 CAADRP C[C@@]1(C(=O)N2CC(=O)NC[C@@]23CC[NH2+]C3)CC[NH2+]C1 ZINC001158101851 779927054 /nfs/dbraw/zinc/92/70/54/779927054.db2.gz NERNKAVDVYJSJR-OLZOCXBDSA-N 2 0 266.345 -1.324 20 0 CAADRP O=C([C@@H]1C[NH2+]C[C@@H]1O)N1CC(=O)NC[C@]12CC[NH2+]C2 ZINC001158102678 779927062 /nfs/dbraw/zinc/92/70/62/779927062.db2.gz VEZQLELHOFNGLN-VDDIYKPWSA-N 2 0 268.317 -2.743 20 0 CAADRP [NH3+]CCC[C@@H]([NH3+])C(=O)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1 ZINC001158112467 779927183 /nfs/dbraw/zinc/92/71/83/779927183.db2.gz YHSIFZSKVJZNMZ-QMTHXVAHSA-N 3 0 295.387 -2.009 20 0 CAADRP N[C@H]1C[NH2+]C[C@@H]1C(=O)N1CC(=O)NC[C@]12CC[NH2+]C2 ZINC001158102872 779927199 /nfs/dbraw/zinc/92/71/99/779927199.db2.gz WZVWMXINIUJLGT-HOTUBEGUSA-N 2 0 267.333 -2.776 20 0 CAADRP N[C@@]1(C(=O)N2CC(=O)NC[C@]23CC[NH2+]C3)CC[NH2+]C1 ZINC001158102957 779927207 /nfs/dbraw/zinc/92/72/07/779927207.db2.gz YXIUZMHIRLWMRP-NEPJUHHUSA-N 2 0 267.333 -2.632 20 0 CAADRP O=C(C1CC2(C[NH2+]C2)C1)N1CC(=O)NC[C@]12CC[NH2+]C2 ZINC001158102904 779927232 /nfs/dbraw/zinc/92/72/32/779927232.db2.gz XUFKYTAJIJICSM-CQSZACIVSA-N 2 0 278.356 -1.324 20 0 CAADRP O=C(C[C@@H]1COCC[NH2+]1)N1CC(=O)NC[C@@]12CC[NH2+]C2 ZINC001158100700 779927237 /nfs/dbraw/zinc/92/72/37/779927237.db2.gz AUGDSQXVFRFTHR-MFKMUULPSA-N 2 0 282.344 -1.945 20 0 CAADRP [NH3+][C@@H](C(=O)N1CC(=O)NC[C@@]12CC[NH2+]C2)C1CC[NH2+]CC1 ZINC001158101212 779927299 /nfs/dbraw/zinc/92/72/99/779927299.db2.gz HIAPUTPQLANQQG-OCCSQVGLSA-N 3 0 295.387 -1.996 20 0 CAADRP C[C@]1(C(=O)N2CC(=O)NC[C@]23CC[NH2+]C3)CC[NH2+]C1 ZINC001158101852 779927329 /nfs/dbraw/zinc/92/73/29/779927329.db2.gz NERNKAVDVYJSJR-QWHCGFSZSA-N 2 0 266.345 -1.324 20 0 CAADRP [NH3+]CCC[C@H]([NH3+])C(=O)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1 ZINC001158112466 779927340 /nfs/dbraw/zinc/92/73/40/779927340.db2.gz YHSIFZSKVJZNMZ-IINYFYTJSA-N 3 0 295.387 -2.009 20 0 CAADRP O=C([C@H]1[C@@H]2C[NH2+]C[C@@H]21)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1 ZINC001158118835 779927351 /nfs/dbraw/zinc/92/73/51/779927351.db2.gz DQUBKYHAEKFFRL-DZHLUBAWSA-N 2 0 290.367 -1.610 20 0 CAADRP [NH3+][C@H]1CN[C@H](C(=O)N2CC(=O)NC[C@]23CC[NH2+]C3)C1 ZINC001158100749 779927403 /nfs/dbraw/zinc/92/74/03/779927403.db2.gz BMWWLIGUSZJSRY-VDDIYKPWSA-N 2 0 267.333 -2.634 20 0 CAADRP NC(=[NH2+])NCCCCC(=O)N1CC(=O)NC[C@]12CC[NH2+]C2 ZINC001158101194 779927449 /nfs/dbraw/zinc/92/74/49/779927449.db2.gz HBJUNPJXJUKMMZ-CYBMUJFWSA-N 2 0 296.375 -1.670 20 0 CAADRP O=C([C@@H]1CC[NH2+]C[C@@H]1F)N1CC(=O)NC[C@]12CC[NH2+]C2 ZINC001158101225 779927510 /nfs/dbraw/zinc/92/75/10/779927510.db2.gz HTWWQDWDJHMVHA-GBIKHYSHSA-N 2 0 284.335 -1.376 20 0 CAADRP C[C@]1(C(=O)N2CC(=O)NC[C@]23CC[NH2+]C3)CCC[NH2+]1 ZINC001158101085 779927526 /nfs/dbraw/zinc/92/75/26/779927526.db2.gz GVKFCAMCJRWHCI-CHWSQXEVSA-N 2 0 266.345 -1.181 20 0 CAADRP [NH3+][C@H](C(=O)N1CC(=O)NC[C@@]12CC[NH2+]C2)C1CC[NH2+]CC1 ZINC001158101211 779927580 /nfs/dbraw/zinc/92/75/80/779927580.db2.gz HIAPUTPQLANQQG-JSGCOSHPSA-N 3 0 295.387 -1.996 20 0 CAADRP [NH3+][C@H]1CN[C@H](C(=O)N2CC3(C[NH2+]C3)[C@]3(CCNC3=O)C2)C1 ZINC001158119863 779927799 /nfs/dbraw/zinc/92/77/99/779927799.db2.gz IBVJPODOQOAHMR-ISTVAULSSA-N 2 0 293.371 -2.386 20 0 CAADRP [NH3+][C@@H]1CN[C@H](C(=O)N2CC3(C[NH2+]C3)[C@@]3(CCNC3=O)C2)C1 ZINC001158119862 779927830 /nfs/dbraw/zinc/92/78/30/779927830.db2.gz IBVJPODOQOAHMR-BHDSKKPTSA-N 2 0 293.371 -2.386 20 0 CAADRP [NH3+]CCC[NH2+]CC(=O)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1 ZINC001158119888 779927865 /nfs/dbraw/zinc/92/78/65/779927865.db2.gz IMIHWUJBUDOXFC-CQSZACIVSA-N 3 0 295.387 -2.137 20 0 CAADRP C[NH2+]CCC(=O)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1 ZINC001158120585 779927880 /nfs/dbraw/zinc/92/78/80/779927880.db2.gz OFWXKUHRHOBSHO-ZDUSSCGKSA-N 2 0 266.345 -1.466 20 0 CAADRP C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N1CCC[C@@]12CCC[NH2+]C2 ZINC001158160511 779927930 /nfs/dbraw/zinc/92/79/30/779927930.db2.gz KLPLGWLVVNTBPX-COPLHBTASA-N 2 0 298.387 -1.445 20 0 CAADRP O=C([C@@H]1C[NH2+]C[C@@H]1O)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1 ZINC001158119341 779928021 /nfs/dbraw/zinc/92/80/21/779928021.db2.gz FYIGJIUJKBSREZ-ISTVAULSSA-N 2 0 294.355 -2.495 20 0 CAADRP N[C@@H](CC[NH3+])C(=O)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1 ZINC001158119438 779928153 /nfs/dbraw/zinc/92/81/53/779928153.db2.gz HAOUEUZSAUVNKP-TVQRCGJNSA-N 2 0 281.360 -2.399 20 0 CAADRP O=C(C1CC[NH2+]CC1)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1 ZINC001158120244 779928168 /nfs/dbraw/zinc/92/81/68/779928168.db2.gz KZBYBVSIQKNSDE-OAHLLOKOSA-N 2 0 292.383 -1.076 20 0 CAADRP C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N1CCC[C@]12CCC[NH2+]C2 ZINC001158160513 779928204 /nfs/dbraw/zinc/92/82/04/779928204.db2.gz KLPLGWLVVNTBPX-MJVIPROJSA-N 2 0 298.387 -1.445 20 0 CAADRP [NH3+][C@H]1CC[C@@H]1C(=O)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1 ZINC001158121918 779928248 /nfs/dbraw/zinc/92/82/48/779928248.db2.gz YKLNOUBHFVKLFR-BHDSKKPTSA-N 2 0 278.356 -1.338 20 0 CAADRP O=C([C@@H]1C[NH2+]CCN1)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1 ZINC001158119935 779928297 /nfs/dbraw/zinc/92/82/97/779928297.db2.gz JONVMEJSHPOBEM-IINYFYTJSA-N 2 0 293.371 -2.514 20 0 CAADRP C[NH2+]CCC(=O)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1 ZINC001158120583 779928528 /nfs/dbraw/zinc/92/85/28/779928528.db2.gz OFWXKUHRHOBSHO-CYBMUJFWSA-N 2 0 266.345 -1.466 20 0 CAADRP O=C([C@H]1[NH2+]CC[C@H]1O)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1 ZINC001158119921 779928444 /nfs/dbraw/zinc/92/84/44/779928444.db2.gz JKBUWOVBQNPFOQ-ISTVAULSSA-N 2 0 294.355 -2.353 20 0 CAADRP [NH3+][C@@H]1CN[C@H](C(=O)N2CC3(C[NH2+]C3)[C@]3(CCNC3=O)C2)C1 ZINC001158119864 779928613 /nfs/dbraw/zinc/92/86/13/779928613.db2.gz IBVJPODOQOAHMR-PKFCDNJMSA-N 2 0 293.371 -2.386 20 0 CAADRP O=C([C@H]1C[C@@H](O)C[NH2+]1)N1CCO[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001158167518 779928739 /nfs/dbraw/zinc/92/87/39/779928739.db2.gz LANOURKYRUEIGJ-GWOFURMSSA-N 2 0 255.318 -1.844 20 0 CAADRP [NH3+]CCC[C@H]([NH3+])C(=O)N1CCO[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001158168320 779928871 /nfs/dbraw/zinc/92/88/71/779928871.db2.gz UESZMWBMPPLNKL-OUAUKWLOSA-N 3 0 256.350 -1.501 20 0 CAADRP Cn1cncc1C[C@H]([NH3+])C(=O)N1CCO[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001158167054 779928993 /nfs/dbraw/zinc/92/89/93/779928993.db2.gz HUPQECQNAOTPMI-KGYLQXTDSA-N 2 0 293.371 -1.263 20 0 CAADRP O=C([C@H]1COC2(C[NH2+]C2)CN1)N1CCO[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001158167544 779929139 /nfs/dbraw/zinc/92/91/39/779929139.db2.gz LLQQBKCTDPTKLV-IJLUTSLNSA-N 2 0 296.371 -2.236 20 0 CAADRP NC(=O)NCCC[C@@H]([NH3+])C(=O)N1CCO[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001158167892 779929164 /nfs/dbraw/zinc/92/91/64/779929164.db2.gz NOTIRLDADHTBPA-GMTAPVOTSA-N 2 0 299.375 -1.791 20 0 CAADRP C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N1CCC2(CCC[NH2+]2)CC1 ZINC001158169749 779929198 /nfs/dbraw/zinc/92/91/98/779929198.db2.gz TZDCAPGCNHVBDN-QWRGUYRKSA-N 2 0 298.387 -1.445 20 0 CAADRP O=C([C@@H]1COC2(C[NH2+]C2)CN1)N1CCO[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001158167541 779929466 /nfs/dbraw/zinc/92/94/66/779929466.db2.gz LLQQBKCTDPTKLV-GRYCIOLGSA-N 2 0 296.371 -2.236 20 0 CAADRP O=C([C@H]1[C@@H]2C[NH2+]C[C@@H]21)N1CCO[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001158166967 779929659 /nfs/dbraw/zinc/92/96/59/779929659.db2.gz FMYHSBWIGDCMON-ZIQFBCGOSA-N 2 0 251.330 -1.101 20 0 CAADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)N1CCC2(COC2)C1 ZINC001158169644 779929667 /nfs/dbraw/zinc/92/96/67/779929667.db2.gz VQHOUTOSSHQYHE-GFCCVEGCSA-N 2 0 282.388 -1.014 20 0 CAADRP O=C([C@H]1C[NH2+]C[C@H]1O)N1CCO[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001158178709 779929891 /nfs/dbraw/zinc/92/98/91/779929891.db2.gz ATVRJWWTIALSIH-LMLFDSFASA-N 2 0 255.318 -1.987 20 0 CAADRP [NH3+]CCC[NH2+]CC(=O)N1CCO[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001158179072 779930123 /nfs/dbraw/zinc/93/01/23/779930123.db2.gz GRBNGVZJHJZEQN-GHMZBOCLSA-N 3 0 256.350 -1.628 20 0 CAADRP N[C@@]1(C(=O)N2CCO[C@@H]3C[NH2+]C[C@@H]3C2)CCC[NH2+]C1 ZINC001158179318 779930377 /nfs/dbraw/zinc/93/03/77/779930377.db2.gz KCUBXJZKIZREHQ-WZRBSPASSA-N 2 0 268.361 -1.486 20 0 CAADRP NC(=O)C[NH2+]CCCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001158197178 779930444 /nfs/dbraw/zinc/93/04/44/779930444.db2.gz SADPDXCPXUPTQZ-NSHDSACASA-N 2 0 268.361 -1.091 20 0 CAADRP O=C([C@H]1C[NH2+]CCN1)N1CCO[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001158179346 779930457 /nfs/dbraw/zinc/93/04/57/779930457.db2.gz KORJHTZCUXLCPG-GMTAPVOTSA-N 2 0 254.334 -2.005 20 0 CAADRP [NH3+]CC12CC(C1)CN2C(=O)[C@@]12C[NH2+]C[C@@H]1CCN2 ZINC001158187434 779930465 /nfs/dbraw/zinc/93/04/65/779930465.db2.gz PSTZVXOZCGIZOO-KQXCDPHESA-N 2 0 250.346 -1.112 20 0 CAADRP [NH3+]CC12CC(C1)CN2C(=O)[C@]12C[NH2+]C[C@@H]1CCN2 ZINC001158187435 779930522 /nfs/dbraw/zinc/93/05/22/779930522.db2.gz PSTZVXOZCGIZOO-MZYPSXCRSA-N 2 0 250.346 -1.112 20 0 CAADRP [NH3+][C@@H]1CN[C@H](C(=O)N2CCO[C@@H]3C[NH2+]C[C@@H]3C2)C1 ZINC001158179736 779930696 /nfs/dbraw/zinc/93/06/96/779930696.db2.gz MYXVPTWXNGTBCW-VPOLOUISSA-N 2 0 254.334 -1.878 20 0 CAADRP [NH3+]CC12CC(C1)CN2C(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001158191491 779930731 /nfs/dbraw/zinc/93/07/31/779930731.db2.gz SEKIRZGSRIXIMR-KHJSKFAYSA-N 3 0 281.404 -1.314 20 0 CAADRP [NH3+]CC(=O)N1CCC[C@H]1C(=O)N1CCO[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001158178831 779930770 /nfs/dbraw/zinc/93/07/70/779930770.db2.gz DWWZSLUHNGEXED-GRYCIOLGSA-N 2 0 296.371 -1.617 20 0 CAADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)N1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001158215164 779931423 /nfs/dbraw/zinc/93/14/23/779931423.db2.gz JVCTXTWHYIJKRS-RWMBFGLXSA-N 3 0 281.404 -1.300 20 0 CAADRP C[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001158215308 779931651 /nfs/dbraw/zinc/93/16/51/779931651.db2.gz MTOAGCCAXPHMTG-AATLWQCWSA-N 2 0 254.334 -1.199 20 0 CAADRP [NH3+]CCOCCOCC(=O)N1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001158208617 779931658 /nfs/dbraw/zinc/93/16/58/779931658.db2.gz VEHVJEKILRCIDX-WDEREUQCSA-N 2 0 257.334 -1.059 20 0 CAADRP O=C([C@H]1CCS(=O)(=O)C12C[NH2+]C2)N1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001158199133 779931678 /nfs/dbraw/zinc/93/16/78/779931678.db2.gz NGTKLDOMMPUSFJ-OUAUKWLOSA-N 2 0 299.396 -1.274 20 0 CAADRP NC(=O)NCCC[C@H]([NH3+])C(=O)N1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001158199171 779931742 /nfs/dbraw/zinc/93/17/42/779931742.db2.gz OHSHQWHXYAYCPF-LPEHRKFASA-N 2 0 269.349 -1.275 20 0 CAADRP [NH3+]CCC[C@H]([NH3+])C(=O)N1CCC2(CC1)COCC(=O)N2 ZINC001158327105 779932233 /nfs/dbraw/zinc/93/22/33/779932233.db2.gz RBZXQXRPOOSWAJ-JTQLQIEISA-N 2 0 284.360 -1.440 20 0 CAADRP C[S@](=O)CC[C@H]([NH3+])C(=O)N1C[C@@H]2CC[NH2+][C@@H]2C1 ZINC001158306377 779932326 /nfs/dbraw/zinc/93/23/26/779932326.db2.gz RMUGGGHTLUEOOJ-HZLNVJGASA-N 2 0 259.375 -1.097 20 0 CAADRP O=C(N1C[C@@H]2CC[NH2+][C@@H]2C1)[C@@]12C[NH2+]C[C@H]1CCN2 ZINC001158305143 779932449 /nfs/dbraw/zinc/93/24/49/779932449.db2.gz DLHNLCVBDDZWNK-SBFPOUOMSA-N 2 0 250.346 -1.242 20 0 CAADRP O=C(N1C[C@@H]2CC[NH2+][C@@H]2C1)[C@@]12C[NH2+]C[C@@H]1CCN2 ZINC001158305142 779932672 /nfs/dbraw/zinc/93/26/72/779932672.db2.gz DLHNLCVBDDZWNK-MEWQQHAOSA-N 2 0 250.346 -1.242 20 0 CAADRP C[NH+](C)CCn1ccc(C(=O)NCCC[NH2+]CC(N)=O)n1 ZINC001158288219 779932789 /nfs/dbraw/zinc/93/27/89/779932789.db2.gz RVDOYWZFBMSAMA-UHFFFAOYSA-N 2 0 296.375 -1.361 20 0 CAADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)N1C[C@@H]2CC[NH2+][C@@H]2C1 ZINC001158306941 779932830 /nfs/dbraw/zinc/93/28/30/779932830.db2.gz YBAOBIJIWQSQPI-CYZMBNFOSA-N 3 0 281.404 -1.443 20 0 CAADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCS(=O)(=O)CC1 ZINC001158370881 779933562 /nfs/dbraw/zinc/93/35/62/779933562.db2.gz UZAVXUHLVNSMOL-VIFPVBQESA-N 2 0 263.363 -1.300 20 0 CAADRP O=C([C@@H]1C[NH2+]CC12C[NH2+]C2)N1CCS(=O)(=O)CC1 ZINC001158369418 779933655 /nfs/dbraw/zinc/93/36/55/779933655.db2.gz MCFJJEMFVZSHRG-VIFPVBQESA-N 2 0 273.358 -1.948 20 0 CAADRP O=C([C@H]1C[NH2+]CC12C[NH2+]C2)N1CCS(=O)(=O)CC1 ZINC001158369417 779933845 /nfs/dbraw/zinc/93/38/45/779933845.db2.gz MCFJJEMFVZSHRG-SECBINFHSA-N 2 0 273.358 -1.948 20 0 CAADRP O=C(N1CCC[C@@H]2[NH2+]C[C@@H]21)[C@@]12C[NH2+]C[C@@H]1CCN2 ZINC001158421438 779934270 /nfs/dbraw/zinc/93/42/70/779934270.db2.gz DSUNNIFIVVRGKB-MRBYEJRBSA-N 2 0 250.346 -1.099 20 0 CAADRP NC(=O)NCCC[C@@H]([NH3+])C(=O)N1CCC[C@H]2[NH2+]C[C@H]21 ZINC001158420906 779934759 /nfs/dbraw/zinc/93/47/59/779934759.db2.gz AKKPLPYSGLYJKB-OPRDCNLKSA-N 2 0 269.349 -1.275 20 0 CAADRP CS(=O)(=O)N(CC[NH3+])CC(=O)N1CCC[C@H]2[NH2+]C[C@@H]21 ZINC001158423456 779934772 /nfs/dbraw/zinc/93/47/72/779934772.db2.gz OQUAIMSEDCSFIH-ZJUUUORDSA-N 2 0 290.389 -1.831 20 0 CAADRP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]2[NH2+]C[C@@H]21 ZINC001158421429 779934859 /nfs/dbraw/zinc/93/48/59/779934859.db2.gz DRLFEKQTCMLQHE-JXUBOQSCSA-N 2 0 297.359 -2.343 20 0 CAADRP O=C(N1CCC[C@@H]2[NH2+]C[C@@H]21)[C@]12C[NH2+]C[C@H]1CCN2 ZINC001158421436 779935117 /nfs/dbraw/zinc/93/51/17/779935117.db2.gz DSUNNIFIVVRGKB-BLFANLJRSA-N 2 0 250.346 -1.099 20 0 CAADRP [NH3+]Cc1cnnn1-c1cncc(N2CC[NH2+]CC2)n1 ZINC001158422879 779935036 /nfs/dbraw/zinc/93/50/36/779935036.db2.gz IPXFNUMERVVGSU-UHFFFAOYSA-N 2 0 260.305 -1.074 20 0 CAADRP [NH3+]Cc1cnnn1-c1ccc(N2CC[NH2+]CC2)nn1 ZINC001158420694 779935099 /nfs/dbraw/zinc/93/50/99/779935099.db2.gz WLTKGFIJEZWRLB-UHFFFAOYSA-N 2 0 260.305 -1.074 20 0 CAADRP O=C([C@@H]1C[C@H]2C[NH2+]C[C@H]2N1)N1CCC[C@@H]2[NH2+]C[C@H]21 ZINC001158421686 779935134 /nfs/dbraw/zinc/93/51/34/779935134.db2.gz FHXIOHLZOOAAGK-KKJSVHSVSA-N 2 0 250.346 -1.101 20 0 CAADRP CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)[C@@H]1C[NH2+]C[C@@H]1O ZINC001158497586 779936528 /nfs/dbraw/zinc/93/65/28/779936528.db2.gz DALKMKHPHUXWAF-MJDLHHQISA-N 2 0 297.355 -1.681 20 0 CAADRP CNC(=O)C[NH2+]CCCNC(=O)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001158485942 779936542 /nfs/dbraw/zinc/93/65/42/779936542.db2.gz BYPDSNIFEDXWER-NEPJUHHUSA-N 2 0 298.387 -1.309 20 0 CAADRP CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)[C@H]1[NH2+]CC[C@@H]1O ZINC001158497792 779936606 /nfs/dbraw/zinc/93/66/06/779936606.db2.gz IAQFZVZJILVFLG-SVNGYHJRSA-N 2 0 297.355 -1.539 20 0 CAADRP O=C([C@H]1C[C@@H](O)C[NH2+]1)N1CC[C@@]23C[NH2+]C[C@@H](C[C@H]2C1)O3 ZINC001158535107 779936611 /nfs/dbraw/zinc/93/66/11/779936611.db2.gz VOOGJCNSZLOIHV-WRYZSIRCSA-N 2 0 281.356 -1.311 20 0 CAADRP CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)[C@H]1C[NH2+]C[C@@H]1O ZINC001158497587 779936618 /nfs/dbraw/zinc/93/66/18/779936618.db2.gz DALKMKHPHUXWAF-NGDQXYMTSA-N 2 0 297.355 -1.681 20 0 CAADRP CC(=O)OC[C@H]([NH3+])C(=O)N1CC[C@@]23C[NH2+]C[C@@H](C[C@H]2C1)O3 ZINC001158535098 779936643 /nfs/dbraw/zinc/93/66/43/779936643.db2.gz VIYWDYNJGWKNIT-KZVDOYCCSA-N 2 0 297.355 -1.144 20 0 CAADRP O=C([C@@H]1C[NH2+]CCN1)N1CC[C@@]23C[NH2+]C[C@@H](C[C@@H]2C1)O3 ZINC001158547424 779936667 /nfs/dbraw/zinc/93/66/67/779936667.db2.gz OPWASNSXYQAADB-NRWUCQMLSA-N 2 0 280.372 -1.473 20 0 CAADRP O=C(NCCC[NH2+]CCO)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001158505699 779936701 /nfs/dbraw/zinc/93/67/01/779936701.db2.gz FZHGZOXZOGNEFL-VXGBXAGGSA-N 2 0 271.361 -1.062 20 0 CAADRP [NH3+]CCNCC(=O)N1CC[C@@]23C[NH2+]C[C@@H](C[C@H]2C1)O3 ZINC001158548463 779936744 /nfs/dbraw/zinc/93/67/44/779936744.db2.gz UJNSMHSHJOPIMP-DMDPSCGWSA-N 2 0 268.361 -1.486 20 0 CAADRP CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)[C@@H]1C[NH2+]C[C@H]1O ZINC001158497588 779936789 /nfs/dbraw/zinc/93/67/89/779936789.db2.gz DALKMKHPHUXWAF-RNWYCLNJSA-N 2 0 297.355 -1.681 20 0 CAADRP O=C(NCCC[NH2+]CCO)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001158505693 779936803 /nfs/dbraw/zinc/93/68/03/779936803.db2.gz FZHGZOXZOGNEFL-NEPJUHHUSA-N 2 0 271.361 -1.062 20 0 CAADRP O=C([C@H]1C[NH2+]CCN1)N1CC[C@@]23C[NH2+]C[C@@H](C[C@@H]2C1)O3 ZINC001158547422 779936831 /nfs/dbraw/zinc/93/68/31/779936831.db2.gz OPWASNSXYQAADB-HKUMRIAESA-N 2 0 280.372 -1.473 20 0 CAADRP CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)[C@@H]1C[NH2+]CCN1 ZINC001158497959 779936839 /nfs/dbraw/zinc/93/68/39/779936839.db2.gz KOWOSZUGVPZYSE-FIQHERPVSA-N 2 0 296.371 -1.700 20 0 CAADRP O=C([C@@H]1C[NH2+]C[C@@H]1O)N1CC[C@@]23C[NH2+]C[C@@H](C[C@H]2C1)O3 ZINC001158548712 779936879 /nfs/dbraw/zinc/93/68/79/779936879.db2.gz XJYLTKRDLSITAP-ILOGHGLZSA-N 2 0 281.356 -1.454 20 0 CAADRP O=C(CN1CC[NH2+]CC1)N1CC[C@@]23C[NH2+]C[C@@H](C[C@@H]2C1)O3 ZINC001158532774 779936906 /nfs/dbraw/zinc/93/69/06/779936906.db2.gz DXACIZRXQSPQBW-UMVBOHGHSA-N 2 0 294.399 -1.129 20 0 CAADRP O=C(NCCC[NH2+]CCO)[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001158505698 779936992 /nfs/dbraw/zinc/93/69/92/779936992.db2.gz FZHGZOXZOGNEFL-RYUDHWBXSA-N 2 0 271.361 -1.062 20 0 CAADRP O=C(CN1CC[NH2+]CC1)N1CC[C@@]23C[NH2+]C[C@@H](C[C@H]2C1)O3 ZINC001158532773 779936998 /nfs/dbraw/zinc/93/69/98/779936998.db2.gz DXACIZRXQSPQBW-GZBFAFLISA-N 2 0 294.399 -1.129 20 0 CAADRP NC(=O)C[NH2+]CCCNC(=O)[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001158487009 779937003 /nfs/dbraw/zinc/93/70/03/779937003.db2.gz UYGNSHLCBTXQBE-WDEREUQCSA-N 2 0 284.360 -1.569 20 0 CAADRP CNC(=O)C[NH2+]CCCNC(=O)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001158485947 779937007 /nfs/dbraw/zinc/93/70/07/779937007.db2.gz BYPDSNIFEDXWER-VXGBXAGGSA-N 2 0 298.387 -1.309 20 0 CAADRP [NH3+]CCNCC(=O)N1CC[C@@]23C[NH2+]C[C@@H](C[C@@H]2C1)O3 ZINC001158548464 779937022 /nfs/dbraw/zinc/93/70/22/779937022.db2.gz UJNSMHSHJOPIMP-NQBHXWOUSA-N 2 0 268.361 -1.486 20 0 CAADRP [NH3+]C[C@H](O)CC(=O)N1CC[C@@]23C[NH2+]C[C@@H](C[C@H]2C1)O3 ZINC001158535156 779937035 /nfs/dbraw/zinc/93/70/35/779937035.db2.gz WAVGSUPYNXLATC-SBFPOUOMSA-N 2 0 269.345 -1.325 20 0 CAADRP N[C@H]1C[NH2+]C[C@@H]1C(=O)N1CC[C@@]23C[NH2+]C[C@@H](C[C@H]2C1)O3 ZINC001158547944 779937046 /nfs/dbraw/zinc/93/70/46/779937046.db2.gz QYLIWKRQAPXAJR-XJBAAKRRSA-N 2 0 280.372 -1.488 20 0 CAADRP O=C([C@@H]1C[NH2+]C[C@@H]1O)N1CC[C@@]23C[NH2+]C[C@@H](C[C@@H]2C1)O3 ZINC001158548713 779937093 /nfs/dbraw/zinc/93/70/93/779937093.db2.gz XJYLTKRDLSITAP-MPLKPFFPSA-N 2 0 281.356 -1.454 20 0 CAADRP [NH3+]C[C@@H](O)CC(=O)N1CC[C@@]23C[NH2+]C[C@@H](C[C@H]2C1)O3 ZINC001158535151 779937105 /nfs/dbraw/zinc/93/71/05/779937105.db2.gz WAVGSUPYNXLATC-MEWQQHAOSA-N 2 0 269.345 -1.325 20 0 CAADRP O=C([C@H]1[NH2+]CC[C@H]1O)N1CC[C@@]23C[NH2+]C[C@@H](C[C@@H]2C1)O3 ZINC001158543998 779937110 /nfs/dbraw/zinc/93/71/10/779937110.db2.gz AZZRFSIEAFUPAN-MPLKPFFPSA-N 2 0 281.356 -1.311 20 0 CAADRP COCCN1CCN(C(=O)[C@@H]([NH3+])CCC[NH3+])CC1 ZINC001158605094 779937981 /nfs/dbraw/zinc/93/79/81/779937981.db2.gz VFZJHVMQRHRYGD-NSHDSACASA-N 2 0 258.366 -1.157 20 0 CAADRP C[C@@H]1C[N@H+](C)[C@@H](C)CN1C(=O)[C@H]1COC2(C[NH2+]C2)CN1 ZINC001158626419 779938128 /nfs/dbraw/zinc/93/81/28/779938128.db2.gz OBHMOXTWRHSAQE-QJPTWQEYSA-N 2 0 282.388 -1.132 20 0 CAADRP CN1CCO[C@H]2CN(C(=O)[C@@H]([NH3+])CSCC[NH3+])C[C@H]21 ZINC001158804080 779940286 /nfs/dbraw/zinc/94/02/86/779940286.db2.gz KKERKYZBMBCQQN-AXFHLTTASA-N 2 0 288.417 -1.453 20 0 CAADRP CN1CCO[C@H]2CN(C(=O)[C@H]3C[NH2+]CC34C[NH2+]C4)C[C@H]21 ZINC001158804602 779940651 /nfs/dbraw/zinc/94/06/51/779940651.db2.gz SSOPFPIQJATLBK-UTUOFQBUSA-N 2 0 280.372 -1.663 20 0 CAADRP C[NH+](C)C[C@@H]1Cn2ccnc2CN(C(=O)CNCC[NH3+])C1 ZINC001159134801 779943163 /nfs/dbraw/zinc/94/31/63/779943163.db2.gz PSHSDSUFGPLOST-GFCCVEGCSA-N 2 0 294.403 -1.049 20 0 CAADRP OC[C@@H]1C[NH2+]C[C@@H]1Nc1ccc(N2CC[NH2+]CC2)nn1 ZINC001159673645 779949952 /nfs/dbraw/zinc/94/99/52/779949952.db2.gz YTJFRXCTAOQTKH-QWRGUYRKSA-N 2 0 278.360 -1.122 20 0 CAADRP OC[C@H]1C[NH2+]C[C@H]1Nc1ccc(N2CC[NH2+]CC2)nn1 ZINC001159673643 779950391 /nfs/dbraw/zinc/95/03/91/779950391.db2.gz YTJFRXCTAOQTKH-GHMZBOCLSA-N 2 0 278.360 -1.122 20 0 CAADRP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2C(=O)[C@@]1(N)CC[NH2+]C1 ZINC001159930046 779952359 /nfs/dbraw/zinc/95/23/59/779952359.db2.gz PPAGAEAUQITVRG-GZBFAFLISA-N 2 0 295.431 -1.086 20 0 CAADRP CN1C[C@@H]2CN(C(=O)[C@H]([NH3+])CCC[NH3+])C[C@@H]2C1=O ZINC001159884641 779952581 /nfs/dbraw/zinc/95/25/81/779952581.db2.gz DUWWTURWNUNGHD-KXUCPTDWSA-N 2 0 254.334 -1.401 20 0 CAADRP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2C(=O)[C@@H]1C[C@H](O)C[NH2+]1 ZINC001159929546 779953365 /nfs/dbraw/zinc/95/33/65/779953365.db2.gz HGOUEOJBCGWYIY-XDQVBPFNSA-N 2 0 296.415 -1.054 20 0 CAADRP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2C(=O)[C@@H]1C[NH2+]C[C@H]1O ZINC001159930801 779953381 /nfs/dbraw/zinc/95/33/81/779953381.db2.gz XRKACXXDYSGSNY-XJFOESAGSA-N 2 0 296.415 -1.197 20 0 CAADRP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2C(=O)[C@H]1[NH2+]CC[C@@H]1O ZINC001159930927 779953393 /nfs/dbraw/zinc/95/33/93/779953393.db2.gz ZDHWUPNLDABWMU-CRWXNKLISA-N 2 0 296.415 -1.054 20 0 CAADRP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2C(=O)[C@H]1[NH2+]CC[C@H]1O ZINC001159930929 779954646 /nfs/dbraw/zinc/95/46/46/779954646.db2.gz ZDHWUPNLDABWMU-DGAVXFQQSA-N 2 0 296.415 -1.054 20 0 CAADRP N[C@@H](CC[NH3+])C(=O)N1C[C@@H]2C[N@@H+](CC3CC3)C[C@H](C1)O2 ZINC001160156991 779956514 /nfs/dbraw/zinc/95/65/14/779956514.db2.gz RXTWYMCEBNLICM-XQQFMLRXSA-N 2 0 282.388 -1.016 20 0 CAADRP CS(=O)(=O)N1CCN(C(=O)[C@@H]([NH3+])CCCC[NH3+])CC1 ZINC001160432341 779958250 /nfs/dbraw/zinc/95/82/50/779958250.db2.gz UKHMTXDEWRBMTF-JTQLQIEISA-N 2 0 292.405 -1.454 20 0 CAADRP C[C@H]1C(=O)NCCN1C(=O)[C@@H]([NH3+])CSCC[NH3+] ZINC001160450385 779959465 /nfs/dbraw/zinc/95/94/65/779959465.db2.gz DLMYHVMPESZNBX-YUMQZZPRSA-N 2 0 260.363 -1.648 20 0 CAADRP C[C@@H]1C(=O)NCCN1C(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001160451363 779961275 /nfs/dbraw/zinc/96/12/75/779961275.db2.gz MUEQJWIWOAURQD-GIPNMCIBSA-N 2 0 266.345 -1.468 20 0 CAADRP C[C@H]1C(=O)NCCN1C(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001160451395 779961442 /nfs/dbraw/zinc/96/14/42/779961442.db2.gz NQOXWPRFVXMUCS-IUCAKERBSA-N 2 0 252.318 -1.858 20 0 CAADRP C[C@H]1C(=O)NCCN1C(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001160451364 779961508 /nfs/dbraw/zinc/96/15/08/779961508.db2.gz MUEQJWIWOAURQD-OPQQBVKSSA-N 2 0 266.345 -1.468 20 0 CAADRP CC(C)NC(=O)CN1CCN(C(=O)[C@H]([NH3+])CCC[NH3+])CC1 ZINC001160485058 779962281 /nfs/dbraw/zinc/96/22/81/779962281.db2.gz PJXNIFNFXDZCGE-GFCCVEGCSA-N 2 0 299.419 -1.279 20 0 CAADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)N1CCC2(C1)OCCO2 ZINC001160471476 779962882 /nfs/dbraw/zinc/96/28/82/779962882.db2.gz ZLTJSEZVHOUXEO-GFCCVEGCSA-N 2 0 298.387 -1.288 20 0 CAADRP O=C([C@@H]1C[NH2+]C[C@H]1O)N1CC[NH+](C2CCOCC2)CC1 ZINC001160491159 779963014 /nfs/dbraw/zinc/96/30/14/779963014.db2.gz VLYJYNVFSXKVIB-CHWSQXEVSA-N 2 0 283.372 -1.110 20 0 CAADRP CCN(CCC(N)=O)C(=O)[C@@H]([NH3+])CSCC[NH3+] ZINC001160471395 779963144 /nfs/dbraw/zinc/96/31/44/779963144.db2.gz WKCVLAHLIFGXKK-QMMMGPOBSA-N 2 0 262.379 -1.271 20 0 CAADRP [NH3+]CCNCC(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC001160491236 779963744 /nfs/dbraw/zinc/96/37/44/779963744.db2.gz YUPYEHKWWBDEPZ-UHFFFAOYSA-N 2 0 270.377 -1.142 20 0 CAADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)N1CCC([NH3+])CC1 ZINC001160515485 779963859 /nfs/dbraw/zinc/96/38/59/779963859.db2.gz JPNIKTJVVJYRMT-GFCCVEGCSA-N 3 0 269.393 -1.314 20 0 CAADRP N[C@@H](C[NH3+])C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC001160491108 779964041 /nfs/dbraw/zinc/96/40/41/779964041.db2.gz SZVBPKUAAUDZBJ-NSHDSACASA-N 2 0 256.350 -1.404 20 0 CAADRP [NH3+]C1CCN(C(=O)[C@@H]2CCS(=O)(=O)C23C[NH2+]C3)CC1 ZINC001160510972 779964256 /nfs/dbraw/zinc/96/42/56/779964256.db2.gz JEPZUUXTDNVUMV-JTQLQIEISA-N 2 0 287.385 -1.287 20 0 CAADRP [NH3+]C1CCN(C(=O)[C@@H]2COC3(C[NH2+]C3)CN2)CC1 ZINC001160510937 779964297 /nfs/dbraw/zinc/96/42/97/779964297.db2.gz HRYVXRJXSDGNLL-JTQLQIEISA-N 2 0 254.334 -1.734 20 0 CAADRP NC(=O)[C@@H]1CCN(C(=O)[C@H]([NH3+])C2CC[NH2+]CC2)C1 ZINC001160548083 779964822 /nfs/dbraw/zinc/96/48/22/779964822.db2.gz CIQLNAFWXBJRRL-NXEZZACHSA-N 2 0 254.334 -1.353 20 0 CAADRP NC(=O)[C@@H]1CCN(C(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)C1 ZINC001160548387 779964883 /nfs/dbraw/zinc/96/48/83/779964883.db2.gz FLQNHFKBDQYXGH-GIPNMCIBSA-N 2 0 266.345 -1.481 20 0 CAADRP N=c1nc([C@H]2CCC[NH2+]2)ccn1C(=O)[C@H]1C[NH2+]C[C@@H]1N ZINC001160542168 779965219 /nfs/dbraw/zinc/96/52/19/779965219.db2.gz PHSDYZKIPIKUCJ-LPEHRKFASA-N 2 0 276.344 -1.026 20 0 CAADRP N=c1nc([C@H]2CCC[NH2+]2)ccn1C(=O)[C@@H](N)C[NH3+] ZINC001160539283 779965428 /nfs/dbraw/zinc/96/54/28/779965428.db2.gz PCLGDZYRMHRNBT-JGVFFNPUSA-N 2 0 250.306 -1.287 20 0 CAADRP COC(=O)CN1CCN(C(=O)[C@H]([NH3+])CCC[NH3+])CC1 ZINC001160531331 779965598 /nfs/dbraw/zinc/96/55/98/779965598.db2.gz LQNQOYZZXMRHKA-SNVBAGLBSA-N 2 0 272.349 -1.630 20 0 CAADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)N1CC(CO)C1 ZINC001160531592 779965731 /nfs/dbraw/zinc/96/57/31/779965731.db2.gz VDZBORKNCZLPPB-LLVKDONJSA-N 2 0 256.350 -1.813 20 0 CAADRP N=c1nc([C@@H]2CCC[NH2+]2)ccn1C(=O)[C@@H](N)C[NH3+] ZINC001160539285 779965758 /nfs/dbraw/zinc/96/57/58/779965758.db2.gz PCLGDZYRMHRNBT-YUMQZZPRSA-N 2 0 250.306 -1.287 20 0 CAADRP NC(=O)[C@@H]1CCN(C(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)C1 ZINC001160549741 779966605 /nfs/dbraw/zinc/96/66/05/779966605.db2.gz WZMFQBWLZWVBEQ-MWLCHTKSSA-N 2 0 283.376 -1.929 20 0 CAADRP COC(=O)C[C@H]1CN(C(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)CCO1 ZINC001160596913 779968036 /nfs/dbraw/zinc/96/80/36/779968036.db2.gz XCXRMIITWQQHRM-WDEREUQCSA-N 2 0 297.355 -1.414 20 0 CAADRP COC(=O)C[C@@H]1CN(C(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)CCO1 ZINC001160596910 779968111 /nfs/dbraw/zinc/96/81/11/779968111.db2.gz XCXRMIITWQQHRM-GHMZBOCLSA-N 2 0 297.355 -1.414 20 0 CAADRP COC(=O)C[C@H]1CN(C(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)CCO1 ZINC001160596912 779968152 /nfs/dbraw/zinc/96/81/52/779968152.db2.gz XCXRMIITWQQHRM-QWRGUYRKSA-N 2 0 297.355 -1.414 20 0 CAADRP CCOC(=O)[C@@H]1CN(C(=O)[C@H]([NH3+])CCC[NH3+])CCO1 ZINC001160596150 779968288 /nfs/dbraw/zinc/96/82/88/779968288.db2.gz DAAGMBZXSFYHEX-ZJUUUORDSA-N 2 0 273.333 -1.157 20 0 CAADRP CCOC(=O)[C@H]1CN(C(=O)[C@@H]([NH3+])CCC[NH3+])CCO1 ZINC001160596149 779968695 /nfs/dbraw/zinc/96/86/95/779968695.db2.gz DAAGMBZXSFYHEX-VHSXEESVSA-N 2 0 273.333 -1.157 20 0 CAADRP [NH3+]CCC[C@H]([NH3+])C(=O)N1CCN(C2CCOCC2)C(=O)C1 ZINC001160637229 779970968 /nfs/dbraw/zinc/97/09/68/779970968.db2.gz SGJXBPWTRJBWRC-LBPRGKRZSA-N 2 0 298.387 -1.098 20 0 CAADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N1CC(N2CCNC(=O)C2)C1 ZINC001160636958 779971047 /nfs/dbraw/zinc/97/10/47/779971047.db2.gz LYVFFKTZCBVCTC-LBPRGKRZSA-N 2 0 297.403 -1.654 20 0 CAADRP O=C([C@@H]1C[NH2+]CC12C[NH2+]C2)N1CC(N2CCNC(=O)C2)C1 ZINC001160637005 779971063 /nfs/dbraw/zinc/97/10/63/779971063.db2.gz MOKJFDOHEIVDIJ-NSHDSACASA-N 2 0 293.371 -2.562 20 0 CAADRP CN1CCN(C2CN(C(=O)[C@@H]([NH3+])CCC[NH3+])C2)CC1=O ZINC001160637670 779971068 /nfs/dbraw/zinc/97/10/68/779971068.db2.gz VJHVDUYXSUDXCX-NSHDSACASA-N 2 0 283.376 -1.963 20 0 CAADRP C[NH+](C)C1(C)CN(C(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)C1 ZINC001160645601 779972088 /nfs/dbraw/zinc/97/20/88/779972088.db2.gz QGVKFZDIMBCBJO-SNVBAGLBSA-N 3 0 252.362 -1.042 20 0 CAADRP NC(=[NH2+])NCCCCC(=O)N1CCO[C@@H](C[NH3+])C1 ZINC001160644192 779972131 /nfs/dbraw/zinc/97/21/31/779972131.db2.gz WNRIFWNOISRDRS-VIFPVBQESA-N 2 0 257.338 -1.174 20 0 CAADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC001160643443 779972269 /nfs/dbraw/zinc/97/22/69/779972269.db2.gz IHXUXAYWQSYVON-QWRGUYRKSA-N 3 0 258.366 -1.111 20 0 CAADRP CC(=O)N[C@@H](CCCC[NH3+])C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC001160644078 779972290 /nfs/dbraw/zinc/97/22/90/779972290.db2.gz RRGQFDNSHDBWIE-RYUDHWBXSA-N 2 0 286.376 -1.194 20 0 CAADRP [NH3+]C[C@H]1CN(C(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)CCO1 ZINC001160643586 779972383 /nfs/dbraw/zinc/97/23/83/779972383.db2.gz JIYZSDKEWFNVTL-NTZNESFSSA-N 3 0 268.361 -1.628 20 0 CAADRP [NH3+]C[C@H]1CN(C(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)CCO1 ZINC001160643163 779972511 /nfs/dbraw/zinc/97/25/11/779972511.db2.gz AMCBNNQKCFGPDM-VHSXEESVSA-N 3 0 254.334 -2.019 20 0 CAADRP [NH3+][C@@H]1CCN(C(=O)[C@@H]2COC3(C[NH2+]C3)CN2)C[C@H]1O ZINC001160652804 779973360 /nfs/dbraw/zinc/97/33/60/779973360.db2.gz MERCQDWOSQOSNX-KXUCPTDWSA-N 2 0 270.333 -2.763 20 0 CAADRP [NH3+]C[C@H]1CN(C(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)CCO1 ZINC001160646429 779973532 /nfs/dbraw/zinc/97/35/32/779973532.db2.gz ZAEOWXZCOKENMM-NWDGAFQWSA-N 3 0 285.392 -2.077 20 0 CAADRP NC(=O)NCCC[C@@H]([NH3+])C(=O)N1CC[C@@H]([NH3+])[C@@H](F)C1 ZINC001160647230 779973679 /nfs/dbraw/zinc/97/36/79/779973679.db2.gz BYTNUGLKHUJSPT-DJLDLDEBSA-N 2 0 275.328 -1.340 20 0 CAADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N1CC[C@@H]([NH3+])[C@H](O)C1 ZINC001160652705 779973703 /nfs/dbraw/zinc/97/37/03/779973703.db2.gz IYWOZHIIQXHWDE-OUAUKWLOSA-N 3 0 258.366 -1.376 20 0 CAADRP CN(CC1COC1)C(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001160647573 779973726 /nfs/dbraw/zinc/97/37/26/779973726.db2.gz NZTRXESVRZKHBD-GFCCVEGCSA-N 2 0 270.377 -1.158 20 0 CAADRP [NH3+]CCSC[C@H]([NH3+])C(=O)N1CCN2C(=O)CC[C@@H]2C1 ZINC001160647646 779973746 /nfs/dbraw/zinc/97/37/46/779973746.db2.gz QTVVNCYETUKWIP-ZJUUUORDSA-N 2 0 286.401 -1.161 20 0 CAADRP [NH3+][C@@H](Cc1cnc[nH]1)C(=O)N1CC[C@@H]([NH3+])[C@H](O)C1 ZINC001160652404 779973795 /nfs/dbraw/zinc/97/37/95/779973795.db2.gz DGMFYSLTSMUBHF-KXUCPTDWSA-N 2 0 253.306 -1.800 20 0 CAADRP [NH3+][C@@H]1CCN(C(=O)[C@@H]2CCCN([C@@H]3CC[NH2+]C3)C2)C[C@H]1O ZINC001160652725 779973843 /nfs/dbraw/zinc/97/38/43/779973843.db2.gz JTDDAOLAFBUPFB-AAVRWANBSA-N 2 0 296.415 -1.019 20 0 CAADRP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N1CC(C)([NH+](C)C)C1 ZINC001160645623 779973938 /nfs/dbraw/zinc/97/39/38/779973938.db2.gz RITQOHRHHFXCRO-IUCAKERBSA-N 2 0 299.375 -2.144 20 0 CAADRP C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N1CC(C)([NH+](C)C)C1 ZINC001160645603 779974497 /nfs/dbraw/zinc/97/44/97/779974497.db2.gz QHOVCTWXPUCVAI-IUCAKERBSA-N 2 0 272.349 -2.027 20 0 CAADRP CC(=O)N[C@@H](CCCC[NH3+])C(=O)N1CC[C@@H]([NH3+])[C@H](O)C1 ZINC001160655904 779975053 /nfs/dbraw/zinc/97/50/53/779975053.db2.gz RJLUAQGEMYBITF-GRYCIOLGSA-N 2 0 286.376 -1.459 20 0 CAADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)N1CC[C@@H]([NH3+])[C@H](O)C1 ZINC001160656538 779975546 /nfs/dbraw/zinc/97/55/46/779975546.db2.gz YMXYWFCQAQFDSQ-IJLUTSLNSA-N 3 0 285.392 -2.343 20 0 CAADRP CS(=O)(=O)NC1CN(C(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)C1 ZINC001160658196 779975677 /nfs/dbraw/zinc/97/56/77/779975677.db2.gz QFHPCKLNUWFRAR-VIFPVBQESA-N 2 0 288.373 -2.445 20 0 CAADRP C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N(C)C[C@@H]1CCC[NH2+]C1 ZINC001160697634 779976260 /nfs/dbraw/zinc/97/62/60/779976260.db2.gz BNWVSGZKZYKSLY-AXFHLTTASA-N 2 0 286.376 -1.731 20 0 CAADRP O=C([C@H]1C[NH2+]CC12C[NH2+]C2)N1[C@H]2COC[C@@H]1CC(=O)C2 ZINC001160662568 779976277 /nfs/dbraw/zinc/97/62/77/779976277.db2.gz YVWUGQQRMAWGMB-JFGNBEQYSA-N 2 0 279.340 -1.246 20 0 CAADRP CN(C(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1)C1(C)COC1 ZINC001160667074 779976291 /nfs/dbraw/zinc/97/62/91/779976291.db2.gz DWYIEWVZEMLBJD-NSHDSACASA-N 2 0 270.377 -1.016 20 0 CAADRP O=C([C@@H]1C[NH2+]CC12C[NH2+]C2)N1[C@H]2COC[C@@H]1CC(=O)C2 ZINC001160662569 779976310 /nfs/dbraw/zinc/97/63/10/779976310.db2.gz YVWUGQQRMAWGMB-UMNHJUIQSA-N 2 0 279.340 -1.246 20 0 CAADRP COC(CN(C)C(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2)OC ZINC001160683982 779976985 /nfs/dbraw/zinc/97/69/85/779976985.db2.gz QJNZQWSNINUMOL-VIFPVBQESA-N 2 0 257.334 -1.127 20 0 CAADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N1CCO[C@@H](C(N)=O)C1 ZINC001160705214 779977455 /nfs/dbraw/zinc/97/74/55/779977455.db2.gz UZMGJIOCSHABFG-VHSXEESVSA-N 2 0 272.349 -1.584 20 0 CAADRP NC(=O)[C@@H]1CN(C(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)CCO1 ZINC001160705330 779978308 /nfs/dbraw/zinc/97/83/08/779978308.db2.gz VIBQTBUIHUDXAY-QWRGUYRKSA-N 2 0 299.375 -2.551 20 0 CAADRP NC(=O)[C@@H]1CN(C(=O)[C@@H]([NH3+])C2CC[NH2+]CC2)CCO1 ZINC001160704700 779978376 /nfs/dbraw/zinc/97/83/76/779978376.db2.gz NQNSDEVPIPWLTB-UWVGGRQHSA-N 2 0 270.333 -1.974 20 0 CAADRP NC(=O)[C@H]1CN(C(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)CCO1 ZINC001160704877 779978547 /nfs/dbraw/zinc/97/85/47/779978547.db2.gz PUTNLUUBAJWYTC-DTWKUNHWSA-N 2 0 268.317 -2.492 20 0 CAADRP C[NH+](C)CCCC[C@H]([NH3+])C(=O)N1CCO[C@H](C(N)=O)C1 ZINC001160704685 779978599 /nfs/dbraw/zinc/97/85/99/779978599.db2.gz MZYDLWWYZJJPIF-QWRGUYRKSA-N 2 0 286.376 -1.242 20 0 CAADRP NC(=O)[C@H]1CN(C(=O)[C@@H]2CCC3(CC[NH2+]CC3)[NH2+]2)CCO1 ZINC001160705678 779978661 /nfs/dbraw/zinc/97/86/61/779978661.db2.gz ZNPUJECWBGNKRL-WDEREUQCSA-N 2 0 296.371 -1.427 20 0 CAADRP NC(=O)[C@@H]1CN(C(=O)[C@@H]2CCC3(CC[NH2+]CC3)[NH2+]2)CCO1 ZINC001160705677 779978707 /nfs/dbraw/zinc/97/87/07/779978707.db2.gz ZNPUJECWBGNKRL-QWRGUYRKSA-N 2 0 296.371 -1.427 20 0 CAADRP NC(=O)[C@@H]1CN(C(=O)C[C@@H]([NH3+])CCCC[NH3+])CCO1 ZINC001160704909 779978813 /nfs/dbraw/zinc/97/88/13/779978813.db2.gz QUEXQKPSEHRIPN-UWVGGRQHSA-N 2 0 272.349 -1.455 20 0 CAADRP NC(=O)[C@H]1CN(C(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)CCO1 ZINC001160705331 779978889 /nfs/dbraw/zinc/97/88/89/779978889.db2.gz VIBQTBUIHUDXAY-WDEREUQCSA-N 2 0 299.375 -2.551 20 0 CAADRP NC(=O)[C@H]1CN(C(=O)[C@H]([NH3+])C2CC[NH2+]CC2)CCO1 ZINC001160704699 779978919 /nfs/dbraw/zinc/97/89/19/779978919.db2.gz NQNSDEVPIPWLTB-NXEZZACHSA-N 2 0 270.333 -1.974 20 0 CAADRP NC(=O)[C@H]1CN(C(=O)C[C@@H]([NH3+])CCCC[NH3+])CCO1 ZINC001160704910 779979034 /nfs/dbraw/zinc/97/90/34/779979034.db2.gz QUEXQKPSEHRIPN-VHSXEESVSA-N 2 0 272.349 -1.455 20 0 CAADRP COC(=O)[C@H](C)N(C)C(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001160718819 779979386 /nfs/dbraw/zinc/97/93/86/779979386.db2.gz SWNMGZCOILAYEF-GXSJLCMTSA-N 2 0 286.376 -1.243 20 0 CAADRP C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N1CC[NH+]2CCC1CC2 ZINC001160727106 779979467 /nfs/dbraw/zinc/97/94/67/779979467.db2.gz ZOPHJWCAMZHWSS-ONGXEEELSA-N 2 0 284.360 -1.883 20 0 CAADRP COC(=O)[C@H](C)N(C)C(=O)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001160718386 779980082 /nfs/dbraw/zinc/98/00/82/779980082.db2.gz HULJUXGNQBFQQL-DTWKUNHWSA-N 2 0 255.318 -1.185 20 0 CAADRP [NH3+]CCC[C@@H]([NH3+])C(=O)N1CCC2(CC1)CNC(=O)CO2 ZINC001160771850 779980114 /nfs/dbraw/zinc/98/01/14/779980114.db2.gz HSMWANRXJKMWCJ-SNVBAGLBSA-N 2 0 284.360 -1.440 20 0 CAADRP [NH3+][C@H](C(=O)N1CCN2C(=O)COC[C@H]2C1)C1CC[NH2+]CC1 ZINC001160789794 779980737 /nfs/dbraw/zinc/98/07/37/779980737.db2.gz FVVGODBTZMCBSO-YPMHNXCESA-N 2 0 296.371 -1.617 20 0 CAADRP [NH3+]CCCC[C@H]([NH3+])CC(=O)N1CCN2C(=O)COC[C@H]2C1 ZINC001160790083 779981264 /nfs/dbraw/zinc/98/12/64/779981264.db2.gz KKYVPNFHCQTGSJ-NWDGAFQWSA-N 2 0 298.387 -1.098 20 0 CAADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC2(CC1)CNC(=O)CO2 ZINC001160772961 779981612 /nfs/dbraw/zinc/98/16/12/779981612.db2.gz YIMDPJRKVYZLQU-NSHDSACASA-N 2 0 298.387 -1.050 20 0 CAADRP C[NH+](C)C[C@@H]1COCCN1C(=O)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001160837090 779982102 /nfs/dbraw/zinc/98/21/02/779982102.db2.gz BGFYPDVOIGHRPY-VXGBXAGGSA-N 3 0 282.388 -1.416 20 0 CAADRP CCOC(=O)[C@]12CN(C(=O)[C@H](C[NH3+])OC)C[C@H]1C[NH2+]CC2 ZINC001160812288 779982165 /nfs/dbraw/zinc/98/21/65/779982165.db2.gz MUICIBCIBQJXAZ-UHIISALHSA-N 2 0 299.371 -1.039 20 0 CAADRP CCOC(=O)[C@]12CN(C(=O)[C@@H](N)CC[NH3+])C[C@H]1C[NH2+]CC2 ZINC001160811959 779982282 /nfs/dbraw/zinc/98/22/82/779982282.db2.gz BLGDFHHIVZSBIR-UHIISALHSA-N 2 0 298.387 -1.336 20 0 CAADRP CCOC(=O)[C@]12CN(C(=O)[C@@](C)([NH3+])CO)C[C@H]1C[NH2+]CC2 ZINC001160806714 779982444 /nfs/dbraw/zinc/98/24/44/779982444.db2.gz ZEEFMANOYYPZLK-DDTOSNHZSA-N 2 0 299.371 -1.303 20 0 CAADRP O=C([C@@H]1C[NH2+]CC12C[NH2+]C2)N1CCn2nncc2C1 ZINC001160833001 779982719 /nfs/dbraw/zinc/98/27/19/779982719.db2.gz NMLRMTDQLUJPJG-JTQLQIEISA-N 2 0 262.317 -1.571 20 0 CAADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)Cn1ncnn1 ZINC001160818214 779982771 /nfs/dbraw/zinc/98/27/71/779982771.db2.gz ZHFOTVHIBUUKKG-UHFFFAOYSA-N 2 0 269.353 -1.375 20 0 CAADRP O=C([C@H]1C[NH2+]CC12C[NH2+]C2)N1CCn2nncc2C1 ZINC001160833004 779982868 /nfs/dbraw/zinc/98/28/68/779982868.db2.gz NMLRMTDQLUJPJG-SNVBAGLBSA-N 2 0 262.317 -1.571 20 0 CAADRP C[NH+](C)C[C@H]1COCCN1C(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001160837089 779982918 /nfs/dbraw/zinc/98/29/18/779982918.db2.gz BGFYPDVOIGHRPY-RYUDHWBXSA-N 3 0 282.388 -1.416 20 0 CAADRP C[NH+](C)C[C@@H]1COCCN1C(=O)[C@H]1C[NH2+]C[C@@H]1N ZINC001160837505 779982953 /nfs/dbraw/zinc/98/29/53/779982953.db2.gz ADZGBFXJMYDZBS-VWYCJHECSA-N 2 0 256.350 -1.678 20 0 CAADRP [NH3+][C@H](C(=O)N1CCn2nncc2C1)C1CC[NH2+]CC1 ZINC001160833111 779982982 /nfs/dbraw/zinc/98/29/82/779982982.db2.gz OPBKDSPNCUKSNU-NSHDSACASA-N 2 0 264.333 -1.053 20 0 CAADRP CCOC(=O)[C@]12CN(C(=O)C[C@@H](O)C[NH3+])C[C@H]1C[NH2+]CC2 ZINC001160806159 779983010 /nfs/dbraw/zinc/98/30/10/779983010.db2.gz KUAKTDNDXYPXSU-JTNHKYCSSA-N 2 0 299.371 -1.303 20 0 CAADRP C[NH+](C)C[C@H]1COCCN1C(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001160837750 779983597 /nfs/dbraw/zinc/98/35/97/779983597.db2.gz KKMRUHJNNQYGNI-VNHYZAJKSA-N 3 0 296.415 -1.026 20 0 CAADRP C[NH+](C)C[C@@H]1COCCN1C(=O)[C@]12C[NH2+]C[C@H]1CCN2 ZINC001160837205 779983616 /nfs/dbraw/zinc/98/36/16/779983616.db2.gz FIJKSGZWOWVPJN-BZPMIXESSA-N 2 0 282.388 -1.273 20 0 CAADRP C[NH+](C)C[C@@H]1COCCN1C(=O)[C@]1(N)CC[NH2+]C1 ZINC001160837918 779983668 /nfs/dbraw/zinc/98/36/68/779983668.db2.gz FTDZRDSPRCDODE-PWSUYJOCSA-N 2 0 256.350 -1.534 20 0 CAADRP C[NH+](C)C[C@@H]1COCCN1C(=O)[C@@H]([NH3+])CCC[NH3+] ZINC001160837250 779983785 /nfs/dbraw/zinc/98/37/85/779983785.db2.gz GQKQPXIGZXERFL-MNOVXSKESA-N 3 0 258.366 -1.158 20 0 CAADRP C[NH+](C)C[C@@H]1COCCN1C(=O)[C@@H]1C[NH2+]C[C@H]1O ZINC001160840081 779983939 /nfs/dbraw/zinc/98/39/39/779983939.db2.gz VBTAXFANBFIRDT-GMTAPVOTSA-N 2 0 257.334 -1.644 20 0 CAADRP C[NH+](C)C[C@H]1COCCN1C(=O)[C@]1(N)CCC[NH2+]C1 ZINC001160838578 779983970 /nfs/dbraw/zinc/98/39/70/779983970.db2.gz KDWDWMSKLDINIA-AAEUAGOBSA-N 2 0 270.377 -1.144 20 0 CAADRP C[NH+](C)C[C@H]1COCCN1C(=O)CN1CC[NH2+]CC1 ZINC001160840808 779984084 /nfs/dbraw/zinc/98/40/84/779984084.db2.gz ZYEJQTLGMWKQCM-LBPRGKRZSA-N 2 0 270.377 -1.319 20 0 CAADRP C[NH+](C)C[C@@H]1COCCN1C(=O)[C@H]1C[NH2+]C[C@H]1O ZINC001160840088 779983993 /nfs/dbraw/zinc/98/39/93/779983993.db2.gz VBTAXFANBFIRDT-OUAUKWLOSA-N 2 0 257.334 -1.644 20 0 CAADRP C[NH+](C)C[C@H]1COCCN1C(=O)C1(N)CC[NH2+]CC1 ZINC001160839396 779984039 /nfs/dbraw/zinc/98/40/39/779984039.db2.gz PLDLCBKYZWMNSZ-NSHDSACASA-N 2 0 270.377 -1.144 20 0 CAADRP C[NH+](C)C[C@H]1COCCN1C(=O)[C@@H]([NH3+])CCC[NH3+] ZINC001160837251 779984108 /nfs/dbraw/zinc/98/41/08/779984108.db2.gz GQKQPXIGZXERFL-QWRGUYRKSA-N 3 0 258.366 -1.158 20 0 CAADRP C[NH+](C)C[C@H]1COCCN1C(=O)[C@H]1COC2(C[NH2+]C2)CN1 ZINC001160838137 779984155 /nfs/dbraw/zinc/98/41/55/779984155.db2.gz KZRWJIWVIRGCOL-NWDGAFQWSA-N 2 0 298.387 -1.894 20 0 CAADRP C[NH+](C)C[C@H]1COCCN1C(=O)[C@H]([NH3+])CCC[NH3+] ZINC001160837252 779984261 /nfs/dbraw/zinc/98/42/61/779984261.db2.gz GQKQPXIGZXERFL-WDEREUQCSA-N 3 0 258.366 -1.158 20 0 CAADRP C[NH+](C)C[C@H]1COCCN1C(=O)[C@H]1C[C@@H](O)C[NH2+]1 ZINC001160839446 779984355 /nfs/dbraw/zinc/98/43/55/779984355.db2.gz SJWMLSDLWDPNLH-HBNTYKKESA-N 2 0 257.334 -1.502 20 0 CAADRP C[NH+](C)C[C@H]1COCCN1C(=O)[C@@H]([NH3+])CC[S@@](C)=O ZINC001160840463 779984386 /nfs/dbraw/zinc/98/43/86/779984386.db2.gz WVESJTGEEBLDDH-ZHYXMNDGSA-N 2 0 291.417 -1.129 20 0 CAADRP C[NH+](C)C[C@H]1COCCN1C(=O)[C@@]1(N)CC[NH2+]C1 ZINC001160837916 779984399 /nfs/dbraw/zinc/98/43/99/779984399.db2.gz FTDZRDSPRCDODE-CMPLNLGQSA-N 2 0 256.350 -1.534 20 0 CAADRP COC(=O)[C@@H]1CN(C(=O)[C@@H]([NH3+])C2CC[NH2+]CC2)CCN1C ZINC001160871443 779985062 /nfs/dbraw/zinc/98/50/62/779985062.db2.gz VJKGCWPUWRIRPV-RYUDHWBXSA-N 2 0 298.387 -1.371 20 0 CAADRP COC(=O)[C@@H]1CN(C(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)CCN1C ZINC001160871591 779985090 /nfs/dbraw/zinc/98/50/90/779985090.db2.gz XWKZZDIRONYIOZ-QWRGUYRKSA-N 2 0 296.371 -1.889 20 0 CAADRP COC(=O)[C@@H]1CN(C(=O)[C@@H]([NH3+])CCC[NH3+])CCN1C ZINC001160871029 779985533 /nfs/dbraw/zinc/98/55/33/779985533.db2.gz PPBZDAXXZUCYLI-UWVGGRQHSA-N 2 0 272.349 -1.632 20 0 CAADRP COC(=O)[C@H]1CN(C(=O)[C@H]([NH3+])CCC[NH3+])CCN1C ZINC001160871028 779985471 /nfs/dbraw/zinc/98/54/71/779985471.db2.gz PPBZDAXXZUCYLI-NXEZZACHSA-N 2 0 272.349 -1.632 20 0 CAADRP O=C([C@H]1[NH2+]CC[C@H]1O)N(c1ncccn1)C1C[NH2+]C1 ZINC001160915621 779986280 /nfs/dbraw/zinc/98/62/80/779986280.db2.gz GWGUFVLYBUGNGC-ZJUUUORDSA-N 2 0 263.301 -1.496 20 0 CAADRP [NH3+]CCC[C@H]([NH3+])C(=O)N(c1ncccn1)C1C[NH2+]C1 ZINC001160915539 779986320 /nfs/dbraw/zinc/98/63/20/779986320.db2.gz CMKXROOEDPSYQW-JTQLQIEISA-N 3 0 264.333 -1.152 20 0 CAADRP O=C(CN1CC[NH2+]CC1)N(c1ncccn1)C1C[NH2+]C1 ZINC001160915895 779986356 /nfs/dbraw/zinc/98/63/56/779986356.db2.gz QVLNXYCDOGEWNZ-UHFFFAOYSA-N 2 0 276.344 -1.313 20 0 CAADRP C[S@](=O)CC[C@H]([NH3+])C(=O)N(c1ncccn1)C1C[NH2+]C1 ZINC001160915482 779986809 /nfs/dbraw/zinc/98/68/09/779986809.db2.gz AOAOPXLVQGINGS-FVINQWEUSA-N 2 0 297.384 -1.123 20 0 CAADRP C[NH+](C)C[C@@]12C[C@@H]1CN(C(=O)[C@H]1C[NH2+]C[C@@H]1O)C2 ZINC001160963442 779987391 /nfs/dbraw/zinc/98/73/91/779987391.db2.gz KIGPENHXKWGGFN-MPPDQPJWSA-N 2 0 253.346 -1.023 20 0 CAADRP C[C@H]1CN(C)C(=O)CN1C(=O)[C@@H]([NH3+])CSCC[NH3+] ZINC001160942595 779987759 /nfs/dbraw/zinc/98/77/59/779987759.db2.gz WKXOAYGTJJFRMF-IUCAKERBSA-N 2 0 274.390 -1.305 20 0 CAADRP C[C@H]1CN(C)C(=O)CN1C(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001160941277 779987767 /nfs/dbraw/zinc/98/77/67/779987767.db2.gz JVZGUQJIRDVJES-UWVGGRQHSA-N 2 0 266.345 -1.516 20 0 CAADRP C[C@H]1CN(C)C(=O)CN1C(=O)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001160941278 779987801 /nfs/dbraw/zinc/98/78/01/779987801.db2.gz JVZGUQJIRDVJES-VHSXEESVSA-N 2 0 266.345 -1.516 20 0 CAADRP O=C([C@@H]1C[NH2+]CC12C[NH2+]C2)N(c1ncccn1)C1C[NH2+]C1 ZINC001160916323 779987889 /nfs/dbraw/zinc/98/78/89/779987889.db2.gz XUGJRYNRVNXDAI-NSHDSACASA-N 3 0 288.355 -1.410 20 0 CAADRP C[NH+](C)C[C@@]12C[C@@H]1CN(C(=O)[C@@H]1C[NH2+]C[C@@H]1O)C2 ZINC001160963439 779987916 /nfs/dbraw/zinc/98/79/16/779987916.db2.gz KIGPENHXKWGGFN-HNCHTBHHSA-N 2 0 253.346 -1.023 20 0 CAADRP [NH3+]C[C@@H](O)CC(=O)N1CC(O)([C@H]2CCCC[NH2+]2)C1 ZINC001161001336 779988919 /nfs/dbraw/zinc/98/89/19/779988919.db2.gz YBUOBVGATJSELR-VHSXEESVSA-N 2 0 257.334 -1.589 20 0 CAADRP O=C([C@@H]1C[NH2+]C[C@H]1O)N1CC(O)([C@H]2CCCC[NH2+]2)C1 ZINC001161008472 779988955 /nfs/dbraw/zinc/98/89/55/779988955.db2.gz OVCDOJANULLMDU-GMTAPVOTSA-N 2 0 269.345 -1.718 20 0 CAADRP N[C@@]1(C(=O)N2CC(O)([C@H]3CCCC[NH2+]3)C2)CC[NH2+]C1 ZINC001161008743 779989051 /nfs/dbraw/zinc/98/90/51/779989051.db2.gz REDNZGVEOJPLHK-PWSUYJOCSA-N 2 0 268.361 -1.607 20 0 CAADRP CN1CC[NH2+]C[C@@H]1C(=O)N1CC(O)([C@H]2CCCC[NH2+]2)C1 ZINC001161008448 779989206 /nfs/dbraw/zinc/98/92/06/779989206.db2.gz OMBCYINJNKZVCP-VXGBXAGGSA-N 2 0 282.388 -1.395 20 0 CAADRP NC1(C(=O)N2CC(O)([C@H]3CCCC[NH2+]3)C2)CC[NH2+]CC1 ZINC001160999941 779989286 /nfs/dbraw/zinc/98/92/86/779989286.db2.gz NBZNEGGRKABIEC-LLVKDONJSA-N 2 0 282.388 -1.217 20 0 CAADRP [NH3+]CCNCC(=O)N1CC(O)([C@@H]2CCCC[NH2+]2)C1 ZINC001161007559 779989294 /nfs/dbraw/zinc/98/92/94/779989294.db2.gz LBIYVJCQKPXPFR-JTQLQIEISA-N 2 0 256.350 -1.750 20 0 CAADRP O=C([C@H]1[NH2+]CC[C@@H]1O)N1CC(O)([C@@H]2CCCC[NH2+]2)C1 ZINC001161006383 779989377 /nfs/dbraw/zinc/98/93/77/779989377.db2.gz CHZDFGDEYNVKLB-DCAQKATOSA-N 2 0 269.345 -1.575 20 0 CAADRP [NH3+][C@@H]1CN(C(=O)[C@H]2COC3(C[NH2+]C3)CN2)CC(F)(F)C1 ZINC001160966766 779989416 /nfs/dbraw/zinc/98/94/16/779989416.db2.gz BIBFUBHHEFEIIJ-DTWKUNHWSA-N 2 0 290.314 -1.488 20 0 CAADRP O=C(N1CC(O)([C@@H]2CCCC[NH2+]2)C1)[C@]12C[NH2+]C[C@H]1COC2 ZINC001160999748 779989424 /nfs/dbraw/zinc/98/94/24/779989424.db2.gz JSPCCFYISLARGW-OBJOEFQTSA-N 2 0 295.383 -1.062 20 0 CAADRP [NH3+]CCC[C@@H]([NH3+])C(=O)N1CC(O)([C@@H]2CCCC[NH2+]2)C1 ZINC001161000430 779989466 /nfs/dbraw/zinc/98/94/66/779989466.db2.gz SOONBZXNXZFTMV-MNOVXSKESA-N 3 0 270.377 -1.232 20 0 CAADRP CC(=O)OC[C@H]([NH3+])C(=O)N1CC(O)([C@@H]2CCCC[NH2+]2)C1 ZINC001160999526 779989502 /nfs/dbraw/zinc/98/95/02/779989502.db2.gz GTKBGUPKIXXBGB-QWRGUYRKSA-N 2 0 285.344 -1.408 20 0 CAADRP O=C([C@H]1[NH2+]CC[C@H]1O)N1CC(O)([C@H]2CCCC[NH2+]2)C1 ZINC001161006384 779989544 /nfs/dbraw/zinc/98/95/44/779989544.db2.gz CHZDFGDEYNVKLB-MXWKQRLJSA-N 2 0 269.345 -1.575 20 0 CAADRP [NH3+][C@H]1CN(C(=O)[C@H]2COC3(C[NH2+]C3)CN2)CC(F)(F)C1 ZINC001160966770 779989581 /nfs/dbraw/zinc/98/95/81/779989581.db2.gz BIBFUBHHEFEIIJ-RKDXNWHRSA-N 2 0 290.314 -1.488 20 0 CAADRP C[C@@H]1CN(C(=O)[C@H]2CCS(=O)(=O)C23C[NH2+]C3)CC[NH2+]1 ZINC001161016091 779990161 /nfs/dbraw/zinc/99/01/61/779990161.db2.gz RMBTVBOVFRLBAW-NXEZZACHSA-N 2 0 287.385 -1.417 20 0 CAADRP C[C@@H]1CN(C(=O)[C@@H]2COC3(C[NH2+]C3)CN2)CC[NH2+]1 ZINC001161015628 779991299 /nfs/dbraw/zinc/99/12/99/779991299.db2.gz HLYVTTQAXZQXMY-ZJUUUORDSA-N 2 0 254.334 -1.863 20 0 CAADRP C[C@@H]1CN(C(=O)[C@@H]2CNC(=O)C23CC[NH2+]CC3)CC[NH2+]1 ZINC001161014748 779991356 /nfs/dbraw/zinc/99/13/56/779991356.db2.gz MFEOQEUSTIOBSU-MNOVXSKESA-N 2 0 280.372 -1.078 20 0 CAADRP [NH3+]CCC[C@H]([NH3+])C(=O)N1CCC2(CNC(=O)N2)CC1 ZINC001161081406 779992205 /nfs/dbraw/zinc/99/22/05/779992205.db2.gz JHTNVADANHWPIK-VIFPVBQESA-N 2 0 269.349 -1.273 20 0 CAADRP O=C([C@@H]1C[NH2+]CC12C[NH2+]C2)N1CCC2(CNC(=O)N2)CC1 ZINC001161081968 779992235 /nfs/dbraw/zinc/99/22/35/779992235.db2.gz MWQSDDSGBRMSRK-JTQLQIEISA-N 2 0 293.371 -1.531 20 0 CAADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)[C@H]3COC4(C[NH2+]C4)CN3)C[C@H]21 ZINC001161082877 779992334 /nfs/dbraw/zinc/99/23/34/779992334.db2.gz PZAWAHNVAVTDIN-JHJVBQTASA-N 2 0 294.399 -1.131 20 0 CAADRP C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N(C)[C@@H]1CCCC[C@H]1[NH3+] ZINC001161060446 779992381 /nfs/dbraw/zinc/99/23/81/779992381.db2.gz BEDORINEOIXZIL-ZRUFSTJUSA-N 2 0 286.376 -1.461 20 0 CAADRP [NH3+]CCC[C@H]([NH3+])C(=O)N1CCN(c2ncc(O)cn2)CC1 ZINC001161081565 779992908 /nfs/dbraw/zinc/99/29/08/779992908.db2.gz FSTFFBASYVKQRC-NSHDSACASA-N 2 0 294.359 -1.103 20 0 CAADRP C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N(C)[C@H]1CCCC[C@H]1[NH3+] ZINC001161060444 779992966 /nfs/dbraw/zinc/99/29/66/779992966.db2.gz BEDORINEOIXZIL-VLEAKVRGSA-N 2 0 286.376 -1.461 20 0 CAADRP CN(C(=O)[C@H]1COC2(C[NH2+]C2)CN1)C1(C)CC[NH2+]CC1 ZINC001161067294 779993034 /nfs/dbraw/zinc/99/30/34/779993034.db2.gz HMSFTPICVVJZIT-LLVKDONJSA-N 2 0 282.388 -1.083 20 0 CAADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)[C@@H]3COC4(C[NH2+]C4)CN3)C[C@H]21 ZINC001161082876 779993195 /nfs/dbraw/zinc/99/31/95/779993195.db2.gz PZAWAHNVAVTDIN-FRRDWIJNSA-N 2 0 294.399 -1.131 20 0 CAADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)N1C[C@@H]2C[C@H]1C(=O)O2 ZINC001161084408 779993951 /nfs/dbraw/zinc/99/39/51/779993951.db2.gz ICAVVCCQDJMVIP-AXFHLTTASA-N 2 0 282.344 -1.737 20 0 CAADRP CCOC(=O)[C@H]1COCCN1C(=O)[C@H]([NH3+])CCC[NH3+] ZINC001161093334 779994033 /nfs/dbraw/zinc/99/40/33/779994033.db2.gz LLMRJZJXPTWQIW-NXEZZACHSA-N 2 0 273.333 -1.157 20 0 CAADRP [NH3+][C@@H](C(=O)N1C[C@@H]2C[C@H]1C(=O)O2)C1CC[NH2+]CC1 ZINC001161085419 779994055 /nfs/dbraw/zinc/99/40/55/779994055.db2.gz WYPDHNNGGJFYLW-LPEHRKFASA-N 2 0 253.302 -1.160 20 0 CAADRP CCOC(=O)[C@@H]1COCCN1C(=O)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001161093756 779995452 /nfs/dbraw/zinc/99/54/52/779995452.db2.gz WIKZUAPHDSZIQT-MNOVXSKESA-N 2 0 297.355 -1.414 20 0 CAADRP CCOC(=O)[C@@H]1COCCN1C(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001161093757 779996248 /nfs/dbraw/zinc/99/62/48/779996248.db2.gz WIKZUAPHDSZIQT-QWRGUYRKSA-N 2 0 297.355 -1.414 20 0 CAADRP COC(=O)[C@]1(N)CCN(C(=O)[C@@H]([NH3+])CCC[NH3+])C1 ZINC001161138308 779997541 /nfs/dbraw/zinc/99/75/41/779997541.db2.gz RJXZNEMJFMFAGH-KWQFWETISA-N 2 0 258.322 -1.845 20 0 CAADRP COC(=O)[C@@]1(N)CCN(C(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)C1 ZINC001161138356 779997600 /nfs/dbraw/zinc/99/76/00/779997600.db2.gz STCOGVGGGAQEAW-LERXQTSPSA-N 2 0 296.371 -1.712 20 0 CAADRP CN(CCO)C(=O)[C@@H]1C[N@H+](C)CC2(CC[NH2+]CC2)O1 ZINC001161107168 779997770 /nfs/dbraw/zinc/99/77/70/779997770.db2.gz BBHBEEJNFHPPOD-NSHDSACASA-N 2 0 271.361 -1.110 20 0 CAADRP CCOC(=O)CN(CCC[NH3+])C(=O)[C@H]([NH3+])CCC[NH3+] ZINC001161153487 779998647 /nfs/dbraw/zinc/99/86/47/779998647.db2.gz KBBHHVVBWHSUAX-SNVBAGLBSA-N 3 0 274.365 -1.207 20 0 CAADRP CCOC(=O)CN(CCC[NH3+])C(=O)[C@H]1C[NH2+]C[C@@H]1O ZINC001161157960 779998884 /nfs/dbraw/zinc/99/88/84/779998884.db2.gz MLZROLNCJBKCLU-UWVGGRQHSA-N 2 0 273.333 -1.693 20 0 CAADRP CCOC(=O)CN(CCC[NH3+])C(=O)[C@@H]([NH3+])CCC[NH3+] ZINC001161153486 779999050 /nfs/dbraw/zinc/99/90/50/779999050.db2.gz KBBHHVVBWHSUAX-JTQLQIEISA-N 3 0 274.365 -1.207 20 0 CAADRP COC(=O)[C@]1(N)CCN(C(=O)[C@H]([NH3+])C2CC[NH2+]CC2)C1 ZINC001161139430 779999060 /nfs/dbraw/zinc/99/90/60/779999060.db2.gz TXIXREHIPZKOSM-MFKMUULPSA-N 2 0 284.360 -1.584 20 0 CAADRP CCOC(=O)CN(CCC[NH3+])C(=O)[C@@H]1C[NH2+]C[C@@H]1O ZINC001161157963 779999104 /nfs/dbraw/zinc/99/91/04/779999104.db2.gz MLZROLNCJBKCLU-ZJUUUORDSA-N 2 0 273.333 -1.693 20 0 CAADRP COC(=O)[C@@]1(N)CCN(C(=O)[C@@H]([NH3+])CSCC[NH3+])C1 ZINC001161139018 779999189 /nfs/dbraw/zinc/99/91/89/779999189.db2.gz JEWQTDCJSABJNY-GZMMTYOYSA-N 2 0 290.389 -1.892 20 0 CAADRP CCOC(=O)CN(CCC[NH3+])C(=O)[C@@]1(N)CCC[NH2+]C1 ZINC001161158487 780000090 /nfs/dbraw/zinc/00/00/90/780000090.db2.gz VTFYELFUDDGONX-CYBMUJFWSA-N 2 0 286.376 -1.192 20 0 CAADRP CCOC(=O)CN(CCC[NH3+])C(=O)[C@@]12C[NH2+]C[C@@H]1CCN2 ZINC001161158552 780000182 /nfs/dbraw/zinc/00/01/82/780000182.db2.gz WSFFRSXIMHQLGT-SMDDNHRTSA-N 2 0 298.387 -1.322 20 0 CAADRP CCOC(=O)CN(CCC[NH3+])C(=O)CN1CC[NH2+]CC1 ZINC001161157991 780000192 /nfs/dbraw/zinc/00/01/92/780000192.db2.gz NCZZMUGKMPJHAV-UHFFFAOYSA-N 2 0 286.376 -1.368 20 0 CAADRP CCOC(=O)CN(CCC[NH3+])C(=O)C1(N)CC[NH2+]CC1 ZINC001161158548 780000220 /nfs/dbraw/zinc/00/02/20/780000220.db2.gz WQINPMDDOZNQKF-UHFFFAOYSA-N 2 0 286.376 -1.192 20 0 CAADRP CCOC(=O)CN(CCC[NH3+])C(=O)[C@]1(N)CCC[NH2+]C1 ZINC001161158489 780000399 /nfs/dbraw/zinc/00/03/99/780000399.db2.gz VTFYELFUDDGONX-ZDUSSCGKSA-N 2 0 286.376 -1.192 20 0 CAADRP CCOC(=O)CN(CCC[NH3+])C(=O)[C@H]1CO[C@@H]2C[NH2+]C[C@H]12 ZINC001161157280 780000604 /nfs/dbraw/zinc/00/06/04/780000604.db2.gz ANLDBGYLLPELKO-GRYCIOLGSA-N 2 0 299.371 -1.039 20 0 CAADRP CCOC(=O)CN(CCC[NH3+])C(=O)C[NH2+]CCC[NH3+] ZINC001161158251 780000611 /nfs/dbraw/zinc/00/06/11/780000611.db2.gz SCKNBPMIFNWJDS-UHFFFAOYSA-N 3 0 274.365 -1.335 20 0 CAADRP CCOC(=O)CN(CCC[NH3+])C(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001161158468 780000672 /nfs/dbraw/zinc/00/06/72/780000672.db2.gz VMPOIKXLNBDGEK-NSHDSACASA-N 3 0 298.387 -1.464 20 0 CAADRP CCOC(=O)CN(CCC[NH3+])C(=O)[C@H]1[NH2+]CC[C@@H]1O ZINC001161158106 780000905 /nfs/dbraw/zinc/00/09/05/780000905.db2.gz PORAWYFACVMLCI-ONGXEEELSA-N 2 0 273.333 -1.550 20 0 CAADRP CN(C(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001161219825 780001294 /nfs/dbraw/zinc/00/12/94/780001294.db2.gz UELGMPQMWBEVME-NEJQNHLGSA-N 2 0 250.346 -1.388 20 0 CAADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)N1CCC(O)CC1 ZINC001161180614 780001325 /nfs/dbraw/zinc/00/13/25/780001325.db2.gz KUQKCGVSZSTCRL-LBPRGKRZSA-N 2 0 270.377 -1.280 20 0 CAADRP C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N(C)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001161222334 780001438 /nfs/dbraw/zinc/00/14/38/780001438.db2.gz XYACGFFOFPOVLY-GENCIFFESA-N 2 0 270.333 -2.513 20 0 CAADRP CC(C)(O)CC[NH+]1CCN(C(=O)[C@@H]2C[NH2+]C[C@@H]2O)CC1 ZINC001161176287 780001484 /nfs/dbraw/zinc/00/14/84/780001484.db2.gz SILVSRNSXUMARP-NEPJUHHUSA-N 2 0 285.388 -1.128 20 0 CAADRP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N(C)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001161221820 780001904 /nfs/dbraw/zinc/00/19/04/780001904.db2.gz QAOHBUNMAXENKV-ZCLKDUABSA-N 2 0 297.359 -2.630 20 0 CAADRP CC(C)(O)CC[NH+]1CCN(C(=O)[C@H]2C[NH2+]C[C@H]2O)CC1 ZINC001161176288 780001989 /nfs/dbraw/zinc/00/19/89/780001989.db2.gz SILVSRNSXUMARP-NWDGAFQWSA-N 2 0 285.388 -1.128 20 0 CAADRP CC(C)(O)CC[NH+]1CCN(C(=O)[C@@H](N)C[NH3+])CC1 ZINC001161175598 780002313 /nfs/dbraw/zinc/00/23/13/780002313.db2.gz MLUKRPZBIJMLAT-JTQLQIEISA-N 2 0 258.366 -1.422 20 0 CAADRP COC(=O)[C@@H]1CN(C)CCN1C(=O)[C@H]([NH3+])CCC[NH3+] ZINC001161236816 780002647 /nfs/dbraw/zinc/00/26/47/780002647.db2.gz GUCMPRWIEJOJPX-ZJUUUORDSA-N 2 0 272.349 -1.632 20 0 CAADRP [NH3+]C[C@@]1(F)CCN(C(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3N2)C1 ZINC001161239132 780003366 /nfs/dbraw/zinc/00/33/66/780003366.db2.gz GWLKRBVTFTYSLW-GUDRVLHUSA-N 2 0 256.325 -1.164 20 0 CAADRP COC(=O)[C@@H]1CN(C)CCN1C(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001161236891 780003415 /nfs/dbraw/zinc/00/34/15/780003415.db2.gz HINMAJQNRKIOSY-QWRGUYRKSA-N 2 0 286.376 -1.242 20 0 CAADRP NC(=O)NCCC[C@@H]([NH3+])C(=O)N1CC[C@](F)(C[NH3+])C1 ZINC001161239349 780003458 /nfs/dbraw/zinc/00/34/58/780003458.db2.gz JVBITFRXAXAIKP-KCJUWKMLSA-N 2 0 275.328 -1.339 20 0 CAADRP C[C@H]1CN(C(=O)[C@H]([NH3+])CCCNC(N)=O)C[C@H](C)[NH2+]1 ZINC001161229684 780003952 /nfs/dbraw/zinc/00/39/52/780003952.db2.gz QNHBSEAQLAYEFK-LPEHRKFASA-N 2 0 271.365 -1.029 20 0 CAADRP COC(=O)[C@H]1CN(C)CCN1C(=O)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001161237261 780004177 /nfs/dbraw/zinc/00/41/77/780004177.db2.gz KFZANIVQYDOVIE-GHMZBOCLSA-N 2 0 296.371 -1.889 20 0 CAADRP C[C@H]1CN(C(=O)[C@H]2COC3(C[NH2+]C3)CN2)C[C@H](C)[NH2+]1 ZINC001161229577 780004365 /nfs/dbraw/zinc/00/43/65/780004365.db2.gz MRVMMJCXHDREEF-GARJFASQSA-N 2 0 268.361 -1.474 20 0 CAADRP [NH3+]CC(=O)N1CCC[C@H]1C(=O)N1CC[C@@](F)(C[NH3+])C1 ZINC001161245292 780005263 /nfs/dbraw/zinc/00/52/63/780005263.db2.gz CIVWOXDNRGRDNX-JOYOIKCWSA-N 2 0 272.324 -1.165 20 0 CAADRP [NH3+]CC(=O)N1CCC[C@H]1C(=O)N1CC[C@](F)(C[NH3+])C1 ZINC001161245290 780005372 /nfs/dbraw/zinc/00/53/72/780005372.db2.gz CIVWOXDNRGRDNX-CABZTGNLSA-N 2 0 272.324 -1.165 20 0 CAADRP C[S@](=O)CC[C@H]([NH3+])C(=O)N1CC[C@](F)(C[NH3+])C1 ZINC001161244988 780005473 /nfs/dbraw/zinc/00/54/73/780005473.db2.gz ACLFACYKSHACIZ-UYDXONCASA-N 2 0 265.354 -1.018 20 0 CAADRP CNC(=O)NC1CCN(C(=O)[C@@H]([NH3+])CCC[NH3+])CC1 ZINC001161268009 780005609 /nfs/dbraw/zinc/00/56/09/780005609.db2.gz BEEFFAVIAPREHK-JTQLQIEISA-N 2 0 271.365 -1.027 20 0 CAADRP N[C@@H](C[NH3+])C(=O)N1CC[C@H](N2CCC([NH3+])CC2)C1 ZINC001161376792 780008049 /nfs/dbraw/zinc/00/80/49/780008049.db2.gz DFXGCEFPSUARCH-QWRGUYRKSA-N 2 0 255.366 -1.704 20 0 CAADRP N[C@@H](CC[NH3+])C(=O)N1CC[C@@H](N2CCC([NH3+])CC2)C1 ZINC001161377589 780008753 /nfs/dbraw/zinc/00/87/53/780008753.db2.gz IAWXOTLCXPEBNP-NEPJUHHUSA-N 2 0 269.393 -1.314 20 0 CAADRP COC(=O)[C@]1(C)COCCN1C(=O)[C@@H]([NH3+])CCC[NH3+] ZINC001161372477 780009002 /nfs/dbraw/zinc/00/90/02/780009002.db2.gz JOIFBCVUVGCAQU-CABZTGNLSA-N 2 0 273.333 -1.157 20 0 CAADRP CCN(C(=O)[C@H](C)NC(=O)[C@@H]([NH3+])CO)[C@@H]1CCC[NH2+]C1 ZINC001161339596 780009063 /nfs/dbraw/zinc/00/90/63/780009063.db2.gz LZODCNLPVWIHFQ-AXFHLTTASA-N 2 0 286.376 -1.589 20 0 CAADRP [NH3+]CCNCC(=O)N1CC[C@@H](N2CCC([NH3+])CC2)C1 ZINC001161378259 780009362 /nfs/dbraw/zinc/00/93/62/780009362.db2.gz LHLRZHVUIKTJSA-GFCCVEGCSA-N 2 0 269.393 -1.441 20 0 CAADRP [NH3+]CCSC[C@H]([NH3+])C(=O)N1CC[N@@H+]2CC[C@@H]2C1 ZINC001161423502 780009485 /nfs/dbraw/zinc/00/94/85/780009485.db2.gz CCBRSHZSCCZBOJ-ZJUUUORDSA-N 3 0 258.391 -1.078 20 0 CAADRP [NH3+]C1CCN([C@@H]2CCN(C(=O)[C@@H]3C[NH2+]C[C@H]3O)C2)CC1 ZINC001161381782 780009538 /nfs/dbraw/zinc/00/95/38/780009538.db2.gz ZKZUYPXVHTVFKL-JHJVBQTASA-N 2 0 282.388 -1.409 20 0 CAADRP O=C([C@@H]1C[NH2+]C[C@@H]1O)N1CCO[C@@H](C[NH+]2CCCC2)C1 ZINC001161390106 780009823 /nfs/dbraw/zinc/00/98/23/780009823.db2.gz XCRNRNYJBQIWGG-XQQFMLRXSA-N 2 0 283.372 -1.110 20 0 CAADRP [NH3+]C1CCN([C@@H]2CCN(C(=O)CN3CC[NH2+]CC3)C2)CC1 ZINC001161377976 780009976 /nfs/dbraw/zinc/00/99/76/780009976.db2.gz JXEOOQHMRDUPQS-CQSZACIVSA-N 2 0 295.431 -1.084 20 0 CAADRP N[C@@H](C[NH3+])C(=O)N1CCO[C@H](C[NH+]2CCCC2)C1 ZINC001161382237 780010163 /nfs/dbraw/zinc/01/01/63/780010163.db2.gz VRFGFSVCIYNPHF-MNOVXSKESA-N 2 0 256.350 -1.404 20 0 CAADRP O=C([C@@H]1C[NH2+]C[C@@H]1O)N1CCO[C@H](C[NH+]2CCCC2)C1 ZINC001161390105 780010187 /nfs/dbraw/zinc/01/01/87/780010187.db2.gz XCRNRNYJBQIWGG-UPJWGTAASA-N 2 0 283.372 -1.110 20 0 CAADRP N[C@]1(C(=O)N2CC[C@H](N3CCC([NH3+])CC3)C2)CC[NH2+]C1 ZINC001161380854 780010197 /nfs/dbraw/zinc/01/01/97/780010197.db2.gz WECMPQYPNBLDRV-GXTWGEPZSA-N 2 0 281.404 -1.299 20 0 CAADRP [NH3+]C[C@@H](O)CC(=O)N1CC[C@H](N2CCC([NH3+])CC2)C1 ZINC001161381273 780010220 /nfs/dbraw/zinc/01/02/20/780010220.db2.gz WZVIPNYGLRJCFA-RYUDHWBXSA-N 2 0 270.377 -1.280 20 0 CAADRP N[C@]1(C(=O)N2CC[C@@H](N3CCC([NH3+])CC3)C2)CC[NH2+]C1 ZINC001161380857 780010272 /nfs/dbraw/zinc/01/02/72/780010272.db2.gz WECMPQYPNBLDRV-TZMCWYRMSA-N 2 0 281.404 -1.299 20 0 CAADRP [NH3+]C1CCN([C@@H]2CCN(C(=O)[C@@H]3C[NH2+]CCN3)C2)CC1 ZINC001161378272 780010360 /nfs/dbraw/zinc/01/03/60/780010360.db2.gz LMSWUYHQBNCMAH-OLZOCXBDSA-N 2 0 281.404 -1.428 20 0 CAADRP N[C@H]1C[NH2+]C[C@@H]1C(=O)N1CC[C@H](N2CCC([NH3+])CC2)C1 ZINC001161379425 780010628 /nfs/dbraw/zinc/01/06/28/780010628.db2.gz PAEIZWDNUHROKB-AVGNSLFASA-N 2 0 281.404 -1.443 20 0 CAADRP COC(=O)[C@]1(C)COCCN1C(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001161373366 780010779 /nfs/dbraw/zinc/01/07/79/780010779.db2.gz PPNBJBLEBFFVNV-GWCFXTLKSA-N 2 0 297.355 -1.414 20 0 CAADRP [NH3+]CCNCC(=O)N1CC[C@H](N2CCC([NH3+])CC2)C1 ZINC001161378260 780010860 /nfs/dbraw/zinc/01/08/60/780010860.db2.gz LHLRZHVUIKTJSA-LBPRGKRZSA-N 2 0 269.393 -1.441 20 0 CAADRP [NH3+][C@@H]1CC[C@@H]2CN(C(=O)[C@H]3COC4(C[NH2+]C4)CN3)C[C@@H]12 ZINC001161414027 780011400 /nfs/dbraw/zinc/01/14/00/780011400.db2.gz SDLYJZUWZJZAQB-DDHJBXDOSA-N 2 0 280.372 -1.488 20 0 CAADRP [NH3+][C@@H]1CC[C@@H]2CN(C(=O)[C@@H]3C[NH2+]CC34C[NH2+]C4)C[C@@H]12 ZINC001161411786 780011511 /nfs/dbraw/zinc/01/15/11/780011511.db2.gz AKJVRIULQJPDTR-WISYIIOYSA-N 3 0 264.373 -1.009 20 0 CAADRP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N1CC[N@@H+]2CC[C@@H]2C1 ZINC001161423547 780011547 /nfs/dbraw/zinc/01/15/47/780011547.db2.gz FJDJOFOAAPBTGM-AEJSXWLSSA-N 2 0 297.359 -2.390 20 0 CAADRP O=C([C@H]1COC2(C[NH2+]C2)CN1)N1CC[N@@H+]2CC[C@@H]2C1 ZINC001161422108 780011684 /nfs/dbraw/zinc/01/16/84/780011684.db2.gz ZYSBFHDDBCFGDL-GHMZBOCLSA-N 2 0 266.345 -1.767 20 0 CAADRP CC(C)(C)OC[C@H]([NH3+])C(=O)NCC(=O)N1CC[NH2+]C1 ZINC001161418540 780011976 /nfs/dbraw/zinc/01/19/76/780011976.db2.gz FKLIMDSZLUBEIK-VIFPVBQESA-N 2 0 272.349 -1.366 20 0 CAADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC001161413007 780012015 /nfs/dbraw/zinc/01/20/15/780012015.db2.gz NJKAYYCMQNOXOJ-PYJNHQTQSA-N 3 0 295.431 -1.068 20 0 CAADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC001161413002 780012044 /nfs/dbraw/zinc/01/20/44/780012044.db2.gz NJKAYYCMQNOXOJ-ASEORRQLSA-N 3 0 295.431 -1.068 20 0 CAADRP C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)N1CC[NH2+]C1 ZINC001161418723 780012217 /nfs/dbraw/zinc/01/22/17/780012217.db2.gz NFOYBFNBJMYHSX-UWVGGRQHSA-N 2 0 297.359 -2.170 20 0 CAADRP O=C([C@@H]1C[C@H]2C[NH2+]C[C@H]2N1)N1CC[N@@H+]2CC[C@@H]2C1 ZINC001161420601 780012339 /nfs/dbraw/zinc/01/23/39/780012339.db2.gz ILSRGTVQWZUMFI-WHOHXGKFSA-N 2 0 250.346 -1.147 20 0 CAADRP [NH3+][C@@H]1CC[C@@H]2CN(C(=O)[C@H]3C[NH2+]CC34C[NH2+]C4)C[C@@H]12 ZINC001161411784 780012432 /nfs/dbraw/zinc/01/24/32/780012432.db2.gz AKJVRIULQJPDTR-DDHJBXDOSA-N 3 0 264.373 -1.009 20 0 CAADRP CS(=O)(=O)N(CC[NH3+])CC(=O)N1CC[NH2+]C1 ZINC001161419104 780012608 /nfs/dbraw/zinc/01/26/08/780012608.db2.gz YHEOHTKBRBCPOE-UHFFFAOYSA-N 2 0 250.324 -2.404 20 0 CAADRP [NH3+][C@@H]1CC[C@@H]2CN(C(=O)[C@H]3C[NH2+]CC34C[NH2+]C4)C[C@H]12 ZINC001161411787 780012989 /nfs/dbraw/zinc/01/29/89/780012989.db2.gz AKJVRIULQJPDTR-WRWGMCAJSA-N 3 0 264.373 -1.009 20 0 CAADRP [NH3+]CC(=O)N1CCC[C@H]1C(=O)N1CC[N@@H+]2CC[C@@H]2C1 ZINC001161424110 780013304 /nfs/dbraw/zinc/01/33/04/780013304.db2.gz YZPXEFIPQIQLKU-MNOVXSKESA-N 2 0 266.345 -1.147 20 0 CAADRP CS(=O)(=O)N(CC[NH3+])CC(=O)N1CC[N@@H+]2CC[C@H]2C1 ZINC001161423691 780013377 /nfs/dbraw/zinc/01/33/77/780013377.db2.gz KDFHQXXUKWUZMZ-JTQLQIEISA-N 2 0 290.389 -1.877 20 0 CAADRP C[NH+](C)CCN(C(=O)[C@@H](N)CC[NH3+])[C@H]1CCC[NH2+]C1 ZINC001161447688 780013413 /nfs/dbraw/zinc/01/34/13/780013413.db2.gz YKPPCXBJMGQHGH-RYUDHWBXSA-N 3 0 271.409 -1.195 20 0 CAADRP C[NH+](C)CCN(C(=O)[C@@H]1C[NH2+]C[C@@H]1O)[C@H]1CCC[NH2+]C1 ZINC001161444461 780013807 /nfs/dbraw/zinc/01/38/07/780013807.db2.gz IHMPLVDTZKELKM-XQQFMLRXSA-N 3 0 284.404 -1.291 20 0 CAADRP C[NH+](C)CCN(C(=O)[C@H]1C[NH2+]C[C@@H]1N)[C@@H]1CCC[NH2+]C1 ZINC001161450044 780014067 /nfs/dbraw/zinc/01/40/67/780014067.db2.gz YUSZGBAHFFTCPT-AGIUHOORSA-N 3 0 283.420 -1.325 20 0 CAADRP C[NH+](C)CCN(C(=O)[C@@]1(N)CC[NH2+]C1)[C@H]1CCC[NH2+]C1 ZINC001161444045 780014116 /nfs/dbraw/zinc/01/41/16/780014116.db2.gz AMZKZFAEQRHPJG-GXTWGEPZSA-N 3 0 283.420 -1.181 20 0 CAADRP C[NH+](C)CCN(C(=O)[C@@H]1C[NH2+]C[C@H]1O)[C@@H]1CCC[NH2+]C1 ZINC001161444459 780014240 /nfs/dbraw/zinc/01/42/40/780014240.db2.gz IHMPLVDTZKELKM-JHJVBQTASA-N 3 0 284.404 -1.291 20 0 CAADRP C[NH+](C)CCN(C(=O)[C@@H]1C[NH2+]CCN1)[C@H]1CCC[NH2+]C1 ZINC001161448656 780014298 /nfs/dbraw/zinc/01/42/98/780014298.db2.gz FMZFXSVUNOZGBV-STQMWFEESA-N 3 0 283.420 -1.310 20 0 CAADRP C[NH+](C)CCN(C(=O)[C@H]1C[NH2+]CCN1)[C@H]1CCC[NH2+]C1 ZINC001161444214 780014350 /nfs/dbraw/zinc/01/43/50/780014350.db2.gz FMZFXSVUNOZGBV-QWHCGFSZSA-N 3 0 283.420 -1.310 20 0 CAADRP C[NH+](C)CCN(C(=O)[C@@H]1C[NH2+]CCN1)[C@@H]1CCC[NH2+]C1 ZINC001161448655 780014510 /nfs/dbraw/zinc/01/45/10/780014510.db2.gz FMZFXSVUNOZGBV-OLZOCXBDSA-N 3 0 283.420 -1.310 20 0 CAADRP C[NH+](C)CCN(C(=O)[C@@H]1C[C@H](O)C[NH2+]1)[C@@H]1CCC[NH2+]C1 ZINC001161447600 780014535 /nfs/dbraw/zinc/01/45/35/780014535.db2.gz YFQSGNNSONCMIC-AGIUHOORSA-N 3 0 284.404 -1.149 20 0 CAADRP COC(=O)[C@]12CC[NH2+][C@@H]1CN(C(=O)[C@H]1[NH2+]CC[C@@H]1O)CC2 ZINC001161477358 780014961 /nfs/dbraw/zinc/01/49/61/780014961.db2.gz FGFNJVKVSSLMAR-MIJXAVMKSA-N 2 0 297.355 -1.537 20 0 CAADRP [NH3+]CCC[C@@H]([NH3+])C(=O)N1C[C@@H]2COC[C@H](C1)C2=O ZINC001161491380 780014984 /nfs/dbraw/zinc/01/49/84/780014984.db2.gz DVJXUNCDAJMDJC-KXUCPTDWSA-N 2 0 255.318 -1.274 20 0 CAADRP COC(=O)[C@]12CC[NH2+][C@@H]1CN(C(=O)[C@H]1C[C@@H](O)C[NH2+]1)CC2 ZINC001161479143 780015032 /nfs/dbraw/zinc/01/50/32/780015032.db2.gz OJGUYZWKJZBBLM-BIAAXOCRSA-N 2 0 297.355 -1.537 20 0 CAADRP COC(=O)[C@]12CC[NH2+][C@H]1CN(C(=O)[C@H]1[NH2+]CC[C@@H]1O)CC2 ZINC001161477360 780015113 /nfs/dbraw/zinc/01/51/13/780015113.db2.gz FGFNJVKVSSLMAR-RMIALFOJSA-N 2 0 297.355 -1.537 20 0 CAADRP [NH3+][C@H]1CN(C(=O)C[C@@H]2COCC[NH2+]2)CC12COC2 ZINC001161507876 780015164 /nfs/dbraw/zinc/01/51/64/780015164.db2.gz BUHRTOUOLYEKON-ZJUUUORDSA-N 2 0 255.318 -1.449 20 0 CAADRP COC(=O)[C@@]12CC[NH2+][C@H]1CN(C(=O)[C@H]1[NH2+]CC[C@@H]1O)CC2 ZINC001161477356 780015382 /nfs/dbraw/zinc/01/53/82/780015382.db2.gz FGFNJVKVSSLMAR-AYGWYOGXSA-N 2 0 297.355 -1.537 20 0 CAADRP COC(=O)[C@]12CC[NH2+][C@H]1CN(C(=O)[C@@H]1C[NH2+]CCN1)CC2 ZINC001161482371 780015489 /nfs/dbraw/zinc/01/54/89/780015489.db2.gz WEHHTRVAPYWZPV-MJVIPROJSA-N 2 0 296.371 -1.699 20 0 CAADRP COC(=O)[C@@]12CC[NH2+][C@@H]1CN(C(=O)[C@H]1C[C@@H](O)C[NH2+]1)CC2 ZINC001161479149 780015561 /nfs/dbraw/zinc/01/55/61/780015561.db2.gz OJGUYZWKJZBBLM-ZHSDAYTOSA-N 2 0 297.355 -1.537 20 0 CAADRP CO[C@@H]1CN(C(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)C[C@@H]1[NH3+] ZINC001161491711 780016081 /nfs/dbraw/zinc/01/60/81/780016081.db2.gz IFQQKQKPGZZYSR-LPEHRKFASA-N 3 0 254.334 -2.020 20 0 CAADRP COC(=O)[C@]12CC[NH2+][C@@H]1CN(C(=O)CNCC[NH3+])CC2 ZINC001161480298 780015714 /nfs/dbraw/zinc/01/57/14/780015714.db2.gz OTIUUAYNOHUDMT-MFKMUULPSA-N 2 0 284.360 -1.712 20 0 CAADRP COC(=O)[C@]12CC[NH2+][C@@H]1CN(C(=O)[C@@H]1C[C@H](O)C[NH2+]1)CC2 ZINC001161479144 780015831 /nfs/dbraw/zinc/01/58/31/780015831.db2.gz OJGUYZWKJZBBLM-DYNIEEOBSA-N 2 0 297.355 -1.537 20 0 CAADRP COC(=O)[C@@]12CC[NH2+][C@@H]1CN(C(=O)C[NH2+]CCC[NH3+])CC2 ZINC001161476594 780015956 /nfs/dbraw/zinc/01/59/56/780015956.db2.gz BIVPLVOIMCEFJT-BXUZGUMPSA-N 3 0 298.387 -1.322 20 0 CAADRP C[N@H+](C1CN(C(=O)[C@H]([NH3+])CCC[NH3+])C1)[C@H]1CCOC1 ZINC001161497835 780016457 /nfs/dbraw/zinc/01/64/57/780016457.db2.gz GJYDFDHMLNZOEU-CMPLNLGQSA-N 3 0 270.377 -1.016 20 0 CAADRP CO[C@@H]1CN(C(=O)[C@H](C)NC(=O)[C@@H]([NH3+])CO)C[C@@H]1[NH3+] ZINC001161493063 780016755 /nfs/dbraw/zinc/01/67/55/780016755.db2.gz BEKWAFMGAQEFDI-XSPKLOCKSA-N 2 0 274.321 -3.005 20 0 CAADRP CO[C@@H]1CN(C(=O)[C@@H]([NH3+])CC[S@@](C)=O)C[C@@H]1[NH3+] ZINC001161493277 780016814 /nfs/dbraw/zinc/01/68/14/780016814.db2.gz IYRYHLPZHFKAQE-IJSLPSLBSA-N 2 0 263.363 -1.733 20 0 CAADRP CO[C@@H]1CN(C(=O)[C@@H]([NH3+])Cc2cnc[nH]2)C[C@@H]1[NH3+] ZINC001161491848 780017297 /nfs/dbraw/zinc/01/72/97/780017297.db2.gz JAYLOUCPYBTXSP-LPEHRKFASA-N 2 0 253.306 -1.536 20 0 CAADRP C[N@H+](C1CN(C(=O)[C@@H]([NH3+])CCC[NH3+])C1)[C@H]1CCOC1 ZINC001161497836 780017452 /nfs/dbraw/zinc/01/74/52/780017452.db2.gz GJYDFDHMLNZOEU-JQWIXIFHSA-N 3 0 270.377 -1.016 20 0 CAADRP CO[C@@H]1CN(C(=O)CCCCNC(N)=[NH2+])C[C@@H]1[NH3+] ZINC001161493804 780017576 /nfs/dbraw/zinc/01/75/76/780017576.db2.gz RZRXTUCEMCDCHD-DTWKUNHWSA-N 2 0 257.338 -1.176 20 0 CAADRP C[N@H+](C1CN(C(=O)C2(N)CC[NH2+]CC2)C1)[C@H]1CCOC1 ZINC001161498482 780017893 /nfs/dbraw/zinc/01/78/93/780017893.db2.gz JLTGNAXMDNOWAH-NSHDSACASA-N 2 0 282.388 -1.001 20 0 CAADRP NC(=[NH2+])NCCCCC(=O)N1C[C@@H]([NH3+])C2(COC2)C1 ZINC001161510592 780018405 /nfs/dbraw/zinc/01/84/05/780018405.db2.gz PFUXJVNGQNWSGH-SECBINFHSA-N 2 0 269.349 -1.174 20 0 CAADRP [NH3+][C@@H]1CN(C(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)CC12COC2 ZINC001161509203 780018053 /nfs/dbraw/zinc/01/80/53/780018053.db2.gz IQUULBWDJRXFPI-NXEZZACHSA-N 3 0 266.345 -2.019 20 0 CAADRP [NH3+][C@@H]1C[C@]2(C(=O)N3C[C@H]([NH3+])C4(COC4)C3)CC[C@H]1N2 ZINC001161507768 780018072 /nfs/dbraw/zinc/01/80/72/780018072.db2.gz AHEKXPPODNMDFQ-DNJQJEMRSA-N 2 0 266.345 -1.606 20 0 CAADRP [NH3+][C@H]1CN(C(=O)CN2CC[NH2+]CC2)CC12COC2 ZINC001161509855 780018151 /nfs/dbraw/zinc/01/81/51/780018151.db2.gz LRLXQZQYFQLDBR-JTQLQIEISA-N 2 0 254.334 -1.922 20 0 CAADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N1C[C@H]([NH3+])C2(COC2)C1 ZINC001161507853 780018485 /nfs/dbraw/zinc/01/84/85/780018485.db2.gz BRPLLWZNOYFVAQ-QWRGUYRKSA-N 3 0 270.377 -1.111 20 0 CAADRP C[N@H+](C1CN(C(=O)[C@H]2[NH2+]CC[C@H]2O)C1)[C@H]1CCOC1 ZINC001161498864 780018598 /nfs/dbraw/zinc/01/85/98/780018598.db2.gz HXZDLQVTMYUBBT-WCQGTBRESA-N 2 0 269.345 -1.359 20 0 CAADRP CC1(C)[NH2+][C@H](C(=O)N2C[C@@H]([NH3+])C3(COC3)C2)CO1 ZINC001161509873 780018828 /nfs/dbraw/zinc/01/88/28/780018828.db2.gz LZVOQDPOQSFKAB-DTWKUNHWSA-N 2 0 255.318 -1.103 20 0 CAADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N1C[C@@H]([NH3+])C2(COC2)C1 ZINC001161507855 780018921 /nfs/dbraw/zinc/01/89/21/780018921.db2.gz BRPLLWZNOYFVAQ-WDEREUQCSA-N 3 0 270.377 -1.111 20 0 CAADRP [NH3+][C@H]1CN(C(=O)[C@@H]2COC3(C[NH2+]C3)CN2)CC12COC2 ZINC001161509325 780018971 /nfs/dbraw/zinc/01/89/71/780018971.db2.gz IZIYTKVLGVVVRO-UWVGGRQHSA-N 2 0 282.344 -2.497 20 0 CAADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)N1C[C@H]([NH3+])C2(COC2)C1 ZINC001161508937 780019065 /nfs/dbraw/zinc/01/90/65/780019065.db2.gz HBUXTBGRKBDDME-NEPJUHHUSA-N 3 0 297.403 -2.077 20 0 CAADRP [NH3+][C@H]1CN(C(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)CC12COC2 ZINC001161509898 780019470 /nfs/dbraw/zinc/01/94/70/780019470.db2.gz MRGNJQZTBNSWIV-UHIISALHSA-N 3 0 280.372 -1.628 20 0 CAADRP [NH3+][C@@H]1CN(C(=O)CNC2CC[NH2+]CC2)CC12COC2 ZINC001161509360 780019495 /nfs/dbraw/zinc/01/94/95/780019495.db2.gz JGTYVDKCQYEVAO-LLVKDONJSA-N 2 0 268.361 -1.486 20 0 CAADRP [NH3+][C@@H]1CN(C(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)CC12COC2 ZINC001161509897 780019521 /nfs/dbraw/zinc/01/95/21/780019521.db2.gz MRGNJQZTBNSWIV-JTNHKYCSSA-N 3 0 280.372 -1.628 20 0 CAADRP Cn1cncc1C[C@H]([NH3+])C(=O)N1C[C@H]([NH3+])C2(COC2)C1 ZINC001161501156 780019560 /nfs/dbraw/zinc/01/95/60/780019560.db2.gz UCAUGRUMPCVDFF-QWRGUYRKSA-N 2 0 279.344 -1.524 20 0 CAADRP NC1(C(=O)N2C[C@H]([NH3+])C3(COC3)C2)CC[NH2+]CC1 ZINC001161507767 780019642 /nfs/dbraw/zinc/01/96/42/780019642.db2.gz AHDKCSXDGBBNQK-VIFPVBQESA-N 2 0 254.334 -1.747 20 0 CAADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1C[C@@H]([NH3+])C2(COC2)C1 ZINC001161509858 780019716 /nfs/dbraw/zinc/01/97/16/780019716.db2.gz LRSZDESVWFHRBK-VHSXEESVSA-N 3 0 256.350 -1.371 20 0 CAADRP [NH3+][C@@H]1CN(C(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)CC12COC2 ZINC001161509205 780020026 /nfs/dbraw/zinc/02/00/26/780020026.db2.gz IQUULBWDJRXFPI-VHSXEESVSA-N 3 0 266.345 -2.019 20 0 CAADRP C[NH+]1CC2(CN(C(=O)[C@]34C[NH2+]C[C@H]3C[NH2+]CC4)C2)C1 ZINC001161532410 780020422 /nfs/dbraw/zinc/02/04/22/780020422.db2.gz SCUXQGBTRQIIKK-BXUZGUMPSA-N 3 0 264.373 -1.041 20 0 CAADRP [NH3+][C@@H]1CN(C(=O)CN2CCCC[C@H]([NH3+])C2=O)CC12COC2 ZINC001161511046 780020444 /nfs/dbraw/zinc/02/04/44/780020444.db2.gz VNOJDCLDFPJPNT-WDEREUQCSA-N 2 0 296.371 -1.488 20 0 CAADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)[C@@H]1COC2(C[NH2+]C2)CN1 ZINC001161529764 780020672 /nfs/dbraw/zinc/02/06/72/780020672.db2.gz GTOZDHQOVQEKET-UTLUCORTSA-N 2 0 254.334 -1.735 20 0 CAADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001161530387 780020784 /nfs/dbraw/zinc/02/07/84/780020784.db2.gz YCHWHULTXLTZND-ADEWGFFLSA-N 3 0 269.393 -1.315 20 0 CAADRP [NH3+][C@H]1CN(C(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3N2)CC12COC2 ZINC001161510864 780021104 /nfs/dbraw/zinc/02/11/04/780021104.db2.gz UDXDAUQBLWZLHE-MMWGEVLESA-N 2 0 266.345 -1.878 20 0 CAADRP [NH3+]CCOCCOCC(=O)N1CC[NH2+]C2(CC2)C1 ZINC001161547129 780021139 /nfs/dbraw/zinc/02/11/39/780021139.db2.gz IIHLWROWXGMIGE-UHFFFAOYSA-N 2 0 257.334 -1.057 20 0 CAADRP NC(=O)NCCC[C@H]([NH3+])C(=O)N1CC[NH2+]C2(CC2)C1 ZINC001161544898 780021329 /nfs/dbraw/zinc/02/13/29/780021329.db2.gz ILBZADWOYHMUDB-VIFPVBQESA-N 2 0 269.349 -1.273 20 0 CAADRP C[NH+]1CC2(CN(C(=O)[C@@]34C[NH2+]C[C@H]3CCN4)C2)C1 ZINC001161532730 780021776 /nfs/dbraw/zinc/02/17/76/780021776.db2.gz XHEPEHCOEUQSEF-ZWNOBZJWSA-N 2 0 250.346 -1.288 20 0 CAADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001161530388 780021970 /nfs/dbraw/zinc/02/19/70/780021970.db2.gz YCHWHULTXLTZND-USWWRNFRSA-N 3 0 269.393 -1.315 20 0 CAADRP N[C@@]1(C(=O)N2C[C@H]([NH3+])C3(COC3)C2)CCC[NH2+]C1 ZINC001161511399 780021987 /nfs/dbraw/zinc/02/19/87/780021987.db2.gz ZCKBZZQAHZECOW-CABZTGNLSA-N 2 0 254.334 -1.747 20 0 CAADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)N1CC[NH2+]C2(CC2)C1 ZINC001161550049 780023256 /nfs/dbraw/zinc/02/32/56/780023256.db2.gz APEOZCZKLQUIEA-LBPRGKRZSA-N 3 0 281.404 -1.299 20 0 CAADRP CS(=O)(=O)N(CC[NH3+])c1ncc2c(n1)C[NH2+]CC2 ZINC001162124550 780029890 /nfs/dbraw/zinc/02/98/90/780029890.db2.gz OKEUXRRZAUUCEN-UHFFFAOYSA-N 2 0 271.346 -1.153 20 0 CAADRP NC(=O)C[NH2+]CCCNC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001162872372 780053489 /nfs/dbraw/zinc/05/34/89/780053489.db2.gz PWYNHSLWPJRIEG-IQLKVPPVSA-N 2 0 296.371 -1.569 20 0 CAADRP CN(CC[NH3+])c1nc(S(C)(=O)=O)nc2c1CC[NH2+]CC2 ZINC001163687820 780060534 /nfs/dbraw/zinc/06/05/34/780060534.db2.gz WNVPNDOHSXHMNN-UHFFFAOYSA-N 2 0 299.400 -1.037 20 0 CAADRP [NH3+]CCN(CCO)c1cnc(O[C@@H]2CC[NH2+]C2)nc1 ZINC001163837285 780062080 /nfs/dbraw/zinc/06/20/80/780062080.db2.gz YJAOTTIOKKWLBP-LLVKDONJSA-N 2 0 267.333 -1.025 20 0 CAADRP C[NH+](C)CC1(C(=O)NCCC[NH2+]CC(N)=O)CC1 ZINC001165253484 780076626 /nfs/dbraw/zinc/07/66/26/780076626.db2.gz GSUUZQBYMRSCTP-UHFFFAOYSA-N 2 0 256.350 -1.091 20 0 CAADRP CN(c1nccc(C2C[NH2+]C2)n1)S(=O)(=O)CC[NH3+] ZINC001164292343 780072735 /nfs/dbraw/zinc/07/27/35/780072735.db2.gz JWXAFKDYYGWNJI-UHFFFAOYSA-N 2 0 271.346 -1.112 20 0 CAADRP CC(C)[N@@H+]1CCO[C@@H](C(=O)NCCC[NH2+]CC(N)=O)C1 ZINC001164538370 780074451 /nfs/dbraw/zinc/07/44/51/780074451.db2.gz FRVDCRJZPHNUDO-LLVKDONJSA-N 2 0 286.376 -1.323 20 0 CAADRP C[NH+]1CCN(c2ccc(N3C[C@@H]([NH3+])[C@H](O)C3)nn2)CC1 ZINC001165150982 780076089 /nfs/dbraw/zinc/07/60/89/780076089.db2.gz WGPXQEOHNRVMPW-GHMZBOCLSA-N 2 0 278.360 -1.263 20 0 CAADRP C[NH+]1CCN(c2ccc(N3C[C@@H](O)[C@@H]([NH3+])C3)nn2)CC1 ZINC001165150988 780076563 /nfs/dbraw/zinc/07/65/63/780076563.db2.gz WGPXQEOHNRVMPW-WDEREUQCSA-N 2 0 278.360 -1.263 20 0 CAADRP C[NH+]1CCN(c2ccc(N3C[C@@H]([NH3+])[C@@H](O)C3)nn2)CC1 ZINC001165150984 780076748 /nfs/dbraw/zinc/07/67/48/780076748.db2.gz WGPXQEOHNRVMPW-MNOVXSKESA-N 2 0 278.360 -1.263 20 0 CAADRP O=C1NCCN(c2cc3c(nn2)CC[NH2+]C3)C12C[NH2+]C2 ZINC001165302661 780079209 /nfs/dbraw/zinc/07/92/09/780079209.db2.gz XEFJSAUOVJZGKL-UHFFFAOYSA-N 2 0 274.328 -1.600 20 0 CAADRP COC(=O)[C@H]1C[NH2+]CCN1c1cc(C[NH3+])ncn1 ZINC001165435309 780079447 /nfs/dbraw/zinc/07/94/47/780079447.db2.gz CBSCVZFKRGEFKL-SECBINFHSA-N 2 0 251.290 -1.114 20 0 CAADRP C[C@@H]([NH2+]CCCNC(=O)CC[NH+](C)C)C(=O)NC(N)=O ZINC001165789036 780088035 /nfs/dbraw/zinc/08/80/35/780088035.db2.gz WOLRFDSITHXUQT-SECBINFHSA-N 2 0 287.364 -1.383 20 0 CAADRP C[NH+](C)CCC(=O)NCCC[NH2+][C@@H]1CCNC1=O ZINC001165793852 780088285 /nfs/dbraw/zinc/08/82/85/780088285.db2.gz CWMBZEMYJJIQDR-SNVBAGLBSA-N 2 0 256.350 -1.078 20 0 CAADRP C[NH+](C)CCC(=O)NCCC[NH2+][C@H]1CCC(=O)NC1=O ZINC001165794276 780088834 /nfs/dbraw/zinc/08/88/34/780088834.db2.gz PWGUIZWDSXSPKR-JTQLQIEISA-N 2 0 284.360 -1.161 20 0 CAADRP C[C@H]1CC[N@H+](CC(=O)NCCC[NH2+]CC(N)=O)C1 ZINC001166667657 780092396 /nfs/dbraw/zinc/09/23/96/780092396.db2.gz GJAKLKDUXQSHNJ-JTQLQIEISA-N 2 0 256.350 -1.091 20 0 CAADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCCC[NH2+]CC(N)=O ZINC001166707740 780092524 /nfs/dbraw/zinc/09/25/24/780092524.db2.gz ISGBPCDALUJREM-VHSXEESVSA-N 2 0 256.350 -1.235 20 0 CAADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCCC[NH2+]CC(=O)NC(N)=O ZINC001166694937 780092551 /nfs/dbraw/zinc/09/25/51/780092551.db2.gz YUWHJLOHORJRAB-ZJUUUORDSA-N 2 0 299.375 -1.525 20 0 CAADRP C[C@@H]1CC[N@H+](CC(=O)NCCC[NH2+]CC(N)=O)C1 ZINC001166667659 780092655 /nfs/dbraw/zinc/09/26/55/780092655.db2.gz GJAKLKDUXQSHNJ-SNVBAGLBSA-N 2 0 256.350 -1.091 20 0 CAADRP C[C@H]1CC[N@H+](CC(=O)NCCC[NH2+]CC(=O)NC(N)=O)C1 ZINC001166667662 780092790 /nfs/dbraw/zinc/09/27/90/780092790.db2.gz GMMYIJGXEOAWOS-JTQLQIEISA-N 2 0 299.375 -1.381 20 0 CAADRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCCC[NH2+]CC(=O)NC(N)=O ZINC001166694934 780092863 /nfs/dbraw/zinc/09/28/63/780092863.db2.gz YUWHJLOHORJRAB-UWVGGRQHSA-N 2 0 299.375 -1.525 20 0 CAADRP C[C@@H]1CC[N@H+](CC(=O)NCCC[NH2+]CC(=O)NC(N)=O)C1 ZINC001166667664 780093056 /nfs/dbraw/zinc/09/30/56/780093056.db2.gz GMMYIJGXEOAWOS-SNVBAGLBSA-N 2 0 299.375 -1.381 20 0 CAADRP CS(=O)(=O)N(c1ncnc2c1CC[NH2+]C2)C1C[NH2+]C1 ZINC001166968514 780100472 /nfs/dbraw/zinc/10/04/72/780100472.db2.gz YHEOBBKYFWKDHF-UHFFFAOYSA-N 2 0 283.357 -1.140 20 0 CAADRP CS(=O)(=O)N(c1ncnc2c1CC[NH2+]CC2)C1C[NH2+]C1 ZINC001166967076 780100483 /nfs/dbraw/zinc/10/04/83/780100483.db2.gz LAWHWHMORKFRLO-UHFFFAOYSA-N 2 0 297.384 -1.097 20 0 CAADRP Cn1cc(C[N@@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)c(=O)n(C)c1=O ZINC001206474537 780110936 /nfs/dbraw/zinc/11/09/36/780110936.db2.gz DWPBIWGNLRLREP-WCBMZHEXSA-N 2 0 268.317 -2.165 20 0 CAADRP C[NH+](C)CCOCC(=O)N1CCC[C@H]([NH2+]CC(N)=O)C1 ZINC001210684207 780138595 /nfs/dbraw/zinc/13/85/95/780138595.db2.gz FWWRAIHFAIUIIT-NSHDSACASA-N 2 0 286.376 -1.370 20 0 CAADRP O=S(=O)(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)C1C[NH2+]C1 ZINC000405138041 780159096 /nfs/dbraw/zinc/15/90/96/780159096.db2.gz KKWVDSSUCUWOME-VHSXEESVSA-N 2 0 275.374 -1.259 20 0 CAADRP O=S(=O)(NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)C1C[NH2+]C1 ZINC000405138040 780159738 /nfs/dbraw/zinc/15/97/38/780159738.db2.gz KKWVDSSUCUWOME-UWVGGRQHSA-N 2 0 275.374 -1.259 20 0 CAADRP Cn1cnc(NC(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)n1 ZINC001218503181 780165939 /nfs/dbraw/zinc/16/59/39/780165939.db2.gz DNMWWYDKJDJILE-VIFPVBQESA-N 2 0 267.337 -1.496 20 0 CAADRP [NH3+]CCC[C@H]([NH3+])C(=O)Nc1ncnc2n[nH]nc21 ZINC001218515605 780166867 /nfs/dbraw/zinc/16/68/67/780166867.db2.gz JFJPVTWMKNKYFH-YFKPBYRVSA-N 2 0 250.266 -1.247 20 0 CAADRP [NH3+]CCC[C@@H]([NH3+])C(=O)Nc1ncnc2n[nH]nc21 ZINC001218515604 780167068 /nfs/dbraw/zinc/16/70/68/780167068.db2.gz JFJPVTWMKNKYFH-RXMQYKEDSA-N 2 0 250.266 -1.247 20 0 CAADRP Cc1[nH][nH]c2ncnc(=NC(=O)[C@H]3C[NH2+]CC34C[NH2+]C4)c1-2 ZINC001218531047 780169161 /nfs/dbraw/zinc/16/91/61/780169161.db2.gz ZVCGNUYZMMNVHL-MRVPVSSYSA-N 2 0 287.327 -1.218 20 0 CAADRP Nc1nonc1NC(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001218542864 780169301 /nfs/dbraw/zinc/16/93/01/780169301.db2.gz PUTIWJYNJFZMOU-SSDOTTSWSA-N 2 0 269.309 -1.659 20 0 CAADRP NC(=O)c1n[nH]cc1NC(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001218563527 780170063 /nfs/dbraw/zinc/17/00/63/780170063.db2.gz CFPHYWBGJSGXNN-QMMMGPOBSA-N 2 0 295.347 -1.803 20 0 CAADRP NC(=O)c1n[nH]cc1NC(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001218563510 780170449 /nfs/dbraw/zinc/17/04/49/780170449.db2.gz CADIMUCBBSOWRQ-LURJTMIESA-N 2 0 264.289 -1.744 20 0 CAADRP Cc1noc(NC(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)c1C(N)=O ZINC001218551301 780170687 /nfs/dbraw/zinc/17/06/87/780170687.db2.gz LPUHPXMDCQRPGT-ZETCQYMHSA-N 2 0 279.300 -1.171 20 0 CAADRP C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)Nc1c[nH+]ccc1N(C)C ZINC001218562899 780170724 /nfs/dbraw/zinc/17/07/24/780170724.db2.gz GMRMPUCBDAZVQO-IUCAKERBSA-N 2 0 295.343 -1.090 20 0 CAADRP O=C(Nc1ncnn2cccc12)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001218565470 780172173 /nfs/dbraw/zinc/17/21/73/780172173.db2.gz UDQKZHJEOVOXII-SECBINFHSA-N 2 0 272.312 -1.101 20 0 CAADRP Nc1c(NC(=O)[C@@H]([NH3+])C2CC[NH2+]CC2)c(=O)c1=O ZINC001218588182 780173304 /nfs/dbraw/zinc/17/33/04/780173304.db2.gz PIZBMRNDUOSVBJ-LURJTMIESA-N 2 0 252.274 -1.870 20 0 CAADRP Nc1c(NC(=O)C[C@@H]([NH3+])CCCC[NH3+])c(=O)c1=O ZINC001218588438 780173461 /nfs/dbraw/zinc/17/34/61/780173461.db2.gz UDYSAQSYRGPKRJ-LURJTMIESA-N 2 0 254.290 -1.350 20 0 CAADRP NC(=O)c1nccnc1NC(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001218617995 780175439 /nfs/dbraw/zinc/17/54/39/780175439.db2.gz NBFULSRPIUNKTM-ZETCQYMHSA-N 2 0 276.300 -1.677 20 0 CAADRP Nc1cnc(NC(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)cn1 ZINC001218626460 780176335 /nfs/dbraw/zinc/17/63/35/780176335.db2.gz IZJDWQXQQJKSSK-SECBINFHSA-N 2 0 279.348 -1.252 20 0 CAADRP Cn1cc(NC(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)nn1 ZINC001218628008 780176437 /nfs/dbraw/zinc/17/64/37/780176437.db2.gz DDBXQTAZJXZZEX-SECBINFHSA-N 2 0 267.337 -1.496 20 0 CAADRP Cn1cc(NC(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)nn1 ZINC001218628010 780176638 /nfs/dbraw/zinc/17/66/38/780176638.db2.gz DDBXQTAZJXZZEX-VIFPVBQESA-N 2 0 267.337 -1.496 20 0 CAADRP NC(=O)c1nccnc1NC(=O)[C@@H]([NH3+])CCC[NH3+] ZINC001218619149 780176666 /nfs/dbraw/zinc/17/66/66/780176666.db2.gz ZLXAHOBIODOZME-LURJTMIESA-N 2 0 252.278 -1.420 20 0 CAADRP NC(=O)c1nccnc1NC(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001218619101 780176710 /nfs/dbraw/zinc/17/67/10/780176710.db2.gz XUIUQGQQWNNRKP-AMIZOPFISA-N 2 0 290.327 -1.287 20 0 CAADRP N[C@@]1(C(=O)Nc2cnn(C3C[NH2+]C3)c2)CC[NH2+]C1 ZINC001218640616 780177802 /nfs/dbraw/zinc/17/78/02/780177802.db2.gz LHTSEOQIBIXXSI-NSHDSACASA-N 2 0 250.306 -1.343 20 0 CAADRP O=C(Nc1cnn(C2C[NH2+]C2)c1)[C@]12C[NH2+]C[C@@H]1CCN2 ZINC001218640958 780177877 /nfs/dbraw/zinc/17/78/77/780177877.db2.gz OJDIVMTUEQGJNO-ZANVPECISA-N 2 0 276.344 -1.083 20 0 CAADRP [NH3+][C@H]1CN[C@H](C(=O)Nc2cnn(C3C[NH2+]C3)c2)C1 ZINC001218641950 780178169 /nfs/dbraw/zinc/17/81/69/780178169.db2.gz ZBLIPSCYZUSOMJ-XCBNKYQSSA-N 2 0 250.306 -1.345 20 0 CAADRP O=C(Nc1cnn(C2C[NH2+]C2)c1)[C@@H]1C[NH2+]C[C@H]1O ZINC001218640257 780178237 /nfs/dbraw/zinc/17/82/37/780178237.db2.gz GVNDVWSWKKTTIS-NXEZZACHSA-N 2 0 251.290 -1.454 20 0 CAADRP Cn1cc(NC(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)nn1 ZINC001218629254 780178388 /nfs/dbraw/zinc/17/83/88/780178388.db2.gz SBNZVPCNCUHQMC-LDYMZIIASA-N 2 0 250.306 -1.047 20 0 CAADRP O=C(CN1CC[NH2+]CC1)Nc1cnn(C2C[NH2+]C2)c1 ZINC001218641786 780178612 /nfs/dbraw/zinc/17/86/12/780178612.db2.gz VCGMVOCCRCXPLO-UHFFFAOYSA-N 2 0 264.333 -1.129 20 0 CAADRP O=C(Nc1cnn(C2C[NH2+]C2)c1)[C@H]1C[NH2+]C[C@@H]1O ZINC001218640263 780178843 /nfs/dbraw/zinc/17/88/43/780178843.db2.gz GVNDVWSWKKTTIS-UWVGGRQHSA-N 2 0 251.290 -1.454 20 0 CAADRP O=C(Nc1cnn(C2C[NH2+]C2)c1)[C@H]1C[NH2+]CCN1 ZINC001218639779 780178936 /nfs/dbraw/zinc/17/89/36/780178936.db2.gz BXUQPRIBNYXGFS-SNVBAGLBSA-N 2 0 250.306 -1.473 20 0 CAADRP O=C(Nc1cnn(C2C[NH2+]C2)c1)[C@@H]1C[NH2+]C[C@@H]1O ZINC001218640265 780178997 /nfs/dbraw/zinc/17/89/97/780178997.db2.gz GVNDVWSWKKTTIS-ZJUUUORDSA-N 2 0 251.290 -1.454 20 0 CAADRP Cn1nncc1NC(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001218700188 780180850 /nfs/dbraw/zinc/18/08/50/780180850.db2.gz NBWBTXPDWPIMJP-VIFPVBQESA-N 2 0 267.337 -1.496 20 0 CAADRP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)n1ccc(=[NH2+])c(N)c1 ZINC001218692861 780181146 /nfs/dbraw/zinc/18/11/46/780181146.db2.gz GNRCKWUNJPSCSM-RCOVLWMOSA-N 2 0 294.315 -2.103 20 0 CAADRP CCOc1cc(N)n(C(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)c(=N)n1 ZINC001218681765 780181476 /nfs/dbraw/zinc/18/14/76/780181476.db2.gz ZKGNJPCISTWRAE-QMMMGPOBSA-N 2 0 292.343 -1.207 20 0 CAADRP C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)Nc1cncc(C[NH3+])c1 ZINC001218705538 780182790 /nfs/dbraw/zinc/18/27/90/780182790.db2.gz SYLCVSCUVHBQKM-XVKPBYJWSA-N 2 0 281.316 -1.697 20 0 CAADRP NS(=O)(=O)c1cncc(NC(=O)[C@@H]([NH3+])CCC[NH3+])c1 ZINC001218751496 780184805 /nfs/dbraw/zinc/18/48/05/780184805.db2.gz ZPKPCNPKTKCFBV-VIFPVBQESA-N 2 0 287.345 -1.266 20 0 CAADRP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)NCC[NH+](C)C ZINC001219553638 780228326 /nfs/dbraw/zinc/22/83/26/780228326.db2.gz DVNIAFUPNMVIRT-YUMQZZPRSA-N 2 0 273.337 -2.628 20 0 CAADRP C[C@@H](O)[C@@H](CO)NC(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001219558566 780229996 /nfs/dbraw/zinc/22/99/96/780229996.db2.gz QZZCNEJVJMNWFB-FBIMIBRVSA-N 2 0 274.365 -2.405 20 0 CAADRP CC[NH+](CC)CCNC(=O)[C@H]1COC2(C[NH2+]C2)CN1 ZINC001219555511 780230115 /nfs/dbraw/zinc/23/01/15/780230115.db2.gz CVEQYJDSKYIOAH-LLVKDONJSA-N 2 0 270.377 -1.225 20 0 CAADRP CC[NH+](CC)CCNC(=O)[C@H](C)NC(=O)[C@@H]([NH3+])CO ZINC001219555504 780230333 /nfs/dbraw/zinc/23/03/33/780230333.db2.gz CPLVXZBGPYUHNF-UWVGGRQHSA-N 2 0 274.365 -1.731 20 0 CAADRP Cn1ccnc1CNC(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001219565938 780231457 /nfs/dbraw/zinc/23/14/57/780231457.db2.gz QHKOPPXVQOCENH-NSHDSACASA-N 2 0 280.376 -1.213 20 0 CAADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)NCCn1ccnc1 ZINC001219563725 780231710 /nfs/dbraw/zinc/23/17/10/780231710.db2.gz JSBJTRFEMDDPAD-LBPRGKRZSA-N 2 0 280.376 -1.250 20 0 CAADRP [NH3+][C@@H](C(=O)NCCn1ccnn1)C1CC[NH2+]CC1 ZINC001219566327 780232135 /nfs/dbraw/zinc/23/21/35/780232135.db2.gz ZSUWCJAPAONCLC-SNVBAGLBSA-N 2 0 252.322 -1.279 20 0 CAADRP O=C(CCNC(=O)[C@H]1C[NH2+]CC12C[NH2+]C2)N1CCOCC1 ZINC001219573198 780233336 /nfs/dbraw/zinc/23/33/36/780233336.db2.gz HPOZUHUNOWUTKH-LLVKDONJSA-N 2 0 296.371 -1.840 20 0 CAADRP C[C@H]1CC[C@H](NC(=O)CN(CC[NH3+])S(C)(=O)=O)C[NH2+]1 ZINC001219584756 780233433 /nfs/dbraw/zinc/23/34/33/780233433.db2.gz FBFFFDPMXPYFSF-UWVGGRQHSA-N 2 0 292.405 -1.537 20 0 CAADRP [NH3+]CCCC[C@H]([NH3+])C(=O)NCCC(=O)N1CCOCC1 ZINC001219573395 780233762 /nfs/dbraw/zinc/23/37/62/780233762.db2.gz LVRSOYRCQOAWKF-NSHDSACASA-N 2 0 286.376 -1.192 20 0 CAADRP C[C@H]1CC[C@H](NC(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)C[NH2+]1 ZINC001219589477 780234789 /nfs/dbraw/zinc/23/47/89/780234789.db2.gz RCXDTOWEHWCIHW-WCFLWFBJSA-N 3 0 283.420 -1.007 20 0 CAADRP C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N(CC[NH3+])S(C)(=O)=O ZINC001219595463 780235062 /nfs/dbraw/zinc/23/50/62/780235062.db2.gz BAUPNWJFPMSAGX-BQBZGAKWSA-N 2 0 296.349 -3.442 20 0 CAADRP CS(=O)(=O)N(CC[NH3+])C(=O)[C@H]1[NH2+]CC[C@H]1O ZINC001219595597 780235210 /nfs/dbraw/zinc/23/52/10/780235210.db2.gz HEZYGEOXQMDVOU-RQJHMYQMSA-N 2 0 251.308 -2.544 20 0 CAADRP CS(=O)(=O)N(CC[NH3+])C(=O)C1CC2(C[NH2+]C2)C1 ZINC001219595763 780235300 /nfs/dbraw/zinc/23/53/00/780235300.db2.gz OMPNZFHVIWTYBB-UHFFFAOYSA-N 2 0 261.347 -1.267 20 0 CAADRP CS(=O)(=O)N(CC[NH3+])C(=O)CNC1CC[NH2+]CC1 ZINC001219593836 780235413 /nfs/dbraw/zinc/23/54/13/780235413.db2.gz LVRDDFFRZYFLCA-UHFFFAOYSA-N 2 0 278.378 -1.925 20 0 CAADRP CS(=O)(=O)N(CC[NH3+])C(=O)[C@@H](N)CCCC[NH3+] ZINC001219595591 780235467 /nfs/dbraw/zinc/23/54/67/780235467.db2.gz HBMLQNGPDKBPNV-QMMMGPOBSA-N 2 0 266.367 -1.810 20 0 CAADRP CS(=O)(=O)N(CC[NH3+])C(=O)[C@@H](N)C1CC[NH2+]CC1 ZINC001219595653 780235508 /nfs/dbraw/zinc/23/55/08/780235508.db2.gz JSFFGVMQHRCIOF-VIFPVBQESA-N 2 0 278.378 -1.940 20 0 CAADRP CS(=O)(=O)N(CC[NH3+])C(=O)[C@@]12CC[C@@H](N1)[C@H]([NH3+])C2 ZINC001219593821 780235565 /nfs/dbraw/zinc/23/55/65/780235565.db2.gz LGHFVRUMPJTQTD-MRTMQBJTSA-N 2 0 276.362 -2.045 20 0 CAADRP CS(=O)(=O)N(CC[NH3+])C(=O)[C@]12C[NH2+]C[C@@H]1CCN2 ZINC001219593923 780235612 /nfs/dbraw/zinc/23/56/12/780235612.db2.gz PVODTRIHEHLGTC-WPRPVWTQSA-N 2 0 276.362 -2.315 20 0 CAADRP CS(=O)(=O)CCNC(=O)C[C@@H]([NH3+])CCCC[NH3+] ZINC001219608320 780235749 /nfs/dbraw/zinc/23/57/49/780235749.db2.gz VASPLTLOGUFZOF-VIFPVBQESA-N 2 0 265.379 -1.006 20 0 CAADRP CS(=O)(=O)N(CC[NH3+])C(=O)[C@H]1C[NH2+]C[C@H]1O ZINC001219595847 780236595 /nfs/dbraw/zinc/23/65/95/780236595.db2.gz SRPISNWRIUPOEE-NKWVEPMBSA-N 2 0 251.308 -2.686 20 0 CAADRP O=C(N[C@]1(C(F)(F)F)CC[NH2+]C1)[C@H]1C[NH2+]CCN1 ZINC001219610002 780236599 /nfs/dbraw/zinc/23/65/99/780236599.db2.gz JGDSCXTXPLVLQY-VXNVDRBHSA-N 2 0 266.267 -1.042 20 0 CAADRP CS(=O)(=O)N(CC[NH3+])C(=O)[C@@H]1CC[NH2+]C[C@@H]1F ZINC001219595875 780236642 /nfs/dbraw/zinc/23/66/42/780236642.db2.gz UMWWKTZJOVAJCY-SFYZADRCSA-N 2 0 267.326 -1.319 20 0 CAADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)NCc1c[nH]cn1 ZINC001219606380 780236823 /nfs/dbraw/zinc/23/68/23/780236823.db2.gz KLWVJXZCXQQJHP-LLVKDONJSA-N 2 0 266.349 -1.224 20 0 CAADRP CS(=O)(=O)N(CC[NH3+])C(=O)[C@@H]1CCCN1C(=O)C[NH3+] ZINC001219595759 780236928 /nfs/dbraw/zinc/23/69/28/780236928.db2.gz OCYNHOYGQAQTNN-QMMMGPOBSA-N 2 0 292.361 -2.317 20 0 CAADRP CS(=O)(=O)N(CC[NH3+])C(=O)[C@@H]1C[C@H](O)C[NH2+]1 ZINC001219595714 780236967 /nfs/dbraw/zinc/23/69/67/780236967.db2.gz LSQOSLYLXDTXAO-BQBZGAKWSA-N 2 0 251.308 -2.544 20 0 CAADRP O=C(N[C@]1(C(F)(F)F)CC[NH2+]C1)[C@@H]1C[NH2+]CCN1 ZINC001219610001 780237178 /nfs/dbraw/zinc/23/71/78/780237178.db2.gz JGDSCXTXPLVLQY-IONNQARKSA-N 2 0 266.267 -1.042 20 0 CAADRP CS(=O)(=O)N(CC[NH3+])C(=O)[C@@H]1C[NH2+]C[C@@H]1O ZINC001219595849 780237093 /nfs/dbraw/zinc/23/70/93/780237093.db2.gz SRPISNWRIUPOEE-RQJHMYQMSA-N 2 0 251.308 -2.686 20 0 CAADRP CS(=O)(=O)CCNC(=O)[C@H]([NH3+])C1CC[NH2+]CC1 ZINC001219607926 780238059 /nfs/dbraw/zinc/23/80/59/780238059.db2.gz HERLPMXAQUSLQO-SECBINFHSA-N 2 0 263.363 -1.526 20 0 CAADRP O=C(N[C@@]1(C(F)(F)F)CC[NH2+]C1)[C@H]1C[NH2+]CCN1 ZINC001219609999 780238084 /nfs/dbraw/zinc/23/80/84/780238084.db2.gz JGDSCXTXPLVLQY-APPZFPTMSA-N 2 0 266.267 -1.042 20 0 CAADRP [NH3+][C@@H](Cn1cccn1)C(=O)NC[C@]1(O)CC[NH2+]C[C@@H]1F ZINC001219615826 780238285 /nfs/dbraw/zinc/23/82/85/780238285.db2.gz FJKDNFYBNWAIFB-JBLDHEPKSA-N 2 0 285.323 -1.611 20 0 CAADRP CS(=O)(=O)CCNC(=O)[C@@H]([NH3+])CSCC[NH3+] ZINC001219608294 780238309 /nfs/dbraw/zinc/23/83/09/780238309.db2.gz UFSMAWUXZVOLSL-ZETCQYMHSA-N 2 0 269.392 -1.834 20 0 CAADRP O=C(NC[C@]1(O)CC[NH2+]C[C@@H]1F)[C@@H]1C[NH2+]CCO1 ZINC001219617785 780239302 /nfs/dbraw/zinc/23/93/02/780239302.db2.gz PHLLEJIVDGXQGF-ATZCPNFKSA-N 2 0 261.297 -1.847 20 0 CAADRP O=C(NC[C@]1(O)CC[NH2+]C[C@@H]1F)[C@@H]1C[NH2+]C[C@@H]1O ZINC001219619639 780239335 /nfs/dbraw/zinc/23/93/35/780239335.db2.gz LZPBPAIRHFFQAP-UYAYMFIHSA-N 2 0 261.297 -2.255 20 0 CAADRP O=C(NC[C@]1(O)CC[NH2+]C[C@@H]1F)[C@H]1C[NH2+]C[C@H](O)C1 ZINC001219617377 780239407 /nfs/dbraw/zinc/23/94/07/780239407.db2.gz LWVCGOPZXJTFOQ-MWGHHZFTSA-N 2 0 275.324 -1.865 20 0 CAADRP C[NH+]1CCC(O)(C(=O)NC[C@]2(O)CC[NH2+]C[C@@H]2F)CC1 ZINC001219619262 780239441 /nfs/dbraw/zinc/23/94/41/780239441.db2.gz DVTLHAGAEUNBJX-GXFFZTMASA-N 2 0 289.351 -1.378 20 0 CAADRP CC(C)(O)[C@H]([NH3+])C(=O)NC[C@]1(O)CC[NH2+]C[C@@H]1F ZINC001219617901 780239478 /nfs/dbraw/zinc/23/94/78/780239478.db2.gz PWWCDQBBDARZKI-VAOFZXAKSA-N 2 0 263.313 -1.737 20 0 CAADRP COC(=O)CC[C@@H]([NH3+])C(=O)NC[C@]1(O)CC[NH2+]C[C@@H]1F ZINC001219617277 780239498 /nfs/dbraw/zinc/23/94/98/780239498.db2.gz JLUMUKKEEPZFER-VDDIYKPWSA-N 2 0 291.323 -1.554 20 0 CAADRP O=C(C[C@@]1(O)CCC[NH2+]C1)NC[C@]1(O)CC[NH2+]C[C@@H]1F ZINC001219617948 780239573 /nfs/dbraw/zinc/23/95/73/780239573.db2.gz RUNVCPLXEXJNJD-WCFLWFBJSA-N 2 0 289.351 -1.330 20 0 CAADRP N[C@]1(C(=O)NC[C@]2(O)CC[NH2+]C[C@@H]2F)CC[NH2+]C1 ZINC001219619210 780239717 /nfs/dbraw/zinc/23/97/17/780239717.db2.gz BUJLIDWRWVHXTE-JMJZKYOTSA-N 2 0 260.313 -2.144 20 0 CAADRP O=C(NC[C@]1(O)CC[NH2+]C[C@@H]1F)C12CC(C1)C[NH2+]2 ZINC001219618160 780239878 /nfs/dbraw/zinc/23/98/78/780239878.db2.gz XATCMIJIOGYHGI-CCOYKRBZSA-N 2 0 257.309 -1.083 20 0 CAADRP O=C(NC[C@]1(O)CC[NH2+]C[C@@H]1F)C1=NO[C@@H]2C[NH2+]C[C@H]12 ZINC001219617665 780240081 /nfs/dbraw/zinc/24/00/81/780240081.db2.gz OAKWIPNGMPMMRQ-KIKITERTSA-N 2 0 286.307 -1.861 20 0 CAADRP O=C(CNC1CC[NH2+]CC1)NC[C@]1(O)CC[NH2+]C[C@@H]1F ZINC001219617092 780240221 /nfs/dbraw/zinc/24/02/21/780240221.db2.gz ITOCFKGWHRWWQF-WCQYABFASA-N 2 0 288.367 -1.493 20 0 CAADRP O=C(NC[C@]1(O)CC[NH2+]C[C@@H]1F)[C@@H]1C[NH2+]C[C@@H](O)C1 ZINC001219617378 780240236 /nfs/dbraw/zinc/24/02/36/780240236.db2.gz LWVCGOPZXJTFOQ-QFOLPQNPSA-N 2 0 275.324 -1.865 20 0 CAADRP O=C(NC[C@]1(O)CC[NH2+]C[C@@H]1F)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001219616736 780240417 /nfs/dbraw/zinc/24/04/17/780240417.db2.gz CFJMDSUFVSZIKH-GBIKHYSHSA-N 3 0 286.351 -2.026 20 0 CAADRP O=C(NC[C@]1(O)CC[NH2+]C[C@@H]1F)[C@@H]1[NH2+]C[C@H]2C[C@H]21 ZINC001219617960 780240437 /nfs/dbraw/zinc/24/04/37/780240437.db2.gz SISVPUPQCOCQLU-WSOSLHDDSA-N 2 0 257.309 -1.227 20 0 CAADRP CN1CC[NH2+]C[C@H]1C(=O)NC[C@]1(O)CC[NH2+]C[C@@H]1F ZINC001219622129 780240968 /nfs/dbraw/zinc/24/09/68/780240968.db2.gz NOEDXQJJSZFSFZ-JBLDHEPKSA-N 2 0 274.340 -1.931 20 0 CAADRP CO[C@H]1CC[NH2+][C@@H](C(=O)NC[C@]2(O)CC[NH2+]C[C@@H]2F)C1 ZINC001219622672 780241036 /nfs/dbraw/zinc/24/10/36/780241036.db2.gz YLJWBEPBDCJGDX-SRRSOLGSSA-N 2 0 289.351 -1.068 20 0 CAADRP [NH3+][C@@H]1COC[C@@H]1C(=O)NC[C@]1(O)CC[NH2+]C[C@@H]1F ZINC001219622566 780241232 /nfs/dbraw/zinc/24/12/32/780241232.db2.gz XDYMWAOUEJBMFK-QCBRBAQYSA-N 2 0 261.297 -1.861 20 0 CAADRP CO[C@@H]1CC[NH2+][C@@H](C(=O)NC[C@]2(O)CC[NH2+]C[C@@H]2F)C1 ZINC001219622669 780241567 /nfs/dbraw/zinc/24/15/67/780241567.db2.gz YLJWBEPBDCJGDX-HNCHTBHHSA-N 2 0 289.351 -1.068 20 0 CAADRP [NH3+]CCCC[C@H]([NH3+])C(=O)NC[C@]1(O)CC[NH2+]C[C@@H]1F ZINC001219620072 780241635 /nfs/dbraw/zinc/24/16/35/780241635.db2.gz UYAOXLQEUADPKB-JBLDHEPKSA-N 3 0 276.356 -1.379 20 0 CAADRP N[C@]1(C(=O)NC[C@]2(O)CC[NH2+]C[C@@H]2F)CCC[NH2+]C1 ZINC001219620267 780241884 /nfs/dbraw/zinc/24/18/84/780241884.db2.gz YJCCOMJFUJLVLD-MVWJERBFSA-N 2 0 274.340 -1.754 20 0 CAADRP O=C(C[C@H]1C[NH2+]CCO1)NC[C@]1(O)CC[NH2+]C[C@@H]1F ZINC001219619588 780242192 /nfs/dbraw/zinc/24/21/92/780242192.db2.gz KZUGYHVNRWAEJG-JBLDHEPKSA-N 2 0 275.324 -1.456 20 0 CAADRP O=C(NC[C@]1(O)CC[NH2+]C[C@@H]1F)[C@H]1C[NH2+]C[C@@H]1O ZINC001219619633 780242325 /nfs/dbraw/zinc/24/23/25/780242325.db2.gz LZPBPAIRHFFQAP-FTYOSLGDSA-N 2 0 261.297 -2.255 20 0 CAADRP O=C(NC[C@@H]1C[C@H](F)C[NH2+]1)[C@@H]1COC2(C[NH2+]C2)CN1 ZINC001219635410 780243421 /nfs/dbraw/zinc/24/34/21/780243421.db2.gz FSAMOOKFNPSFTH-GUBZILKMSA-N 2 0 272.324 -1.867 20 0 CAADRP C[S@](=O)CC[C@H]([NH3+])C(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC001219635319 780243473 /nfs/dbraw/zinc/24/34/73/780243473.db2.gz AMXYKFIUGZFISQ-LYJZTYBXSA-N 2 0 265.354 -1.102 20 0 CAADRP Cn1cnc(CCNC(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)c1 ZINC001219632477 780244106 /nfs/dbraw/zinc/24/41/06/780244106.db2.gz NNUPVGMGZDOLLZ-NSHDSACASA-N 2 0 263.345 -1.112 20 0 CAADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)NCCN1CCCCO1 ZINC001219632842 780244216 /nfs/dbraw/zinc/24/42/16/780244216.db2.gz QWMABGFHEGWHFX-ZDUSSCGKSA-N 2 0 299.419 -1.120 20 0 CAADRP [NH3+]CC(=O)N1CCC[C@H]1C(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC001219635402 780244280 /nfs/dbraw/zinc/24/42/80/780244280.db2.gz FOFDHENAOWATAD-GUBZILKMSA-N 2 0 272.324 -1.248 20 0 CAADRP O=C(NC[C@]1(O)CC[NH2+]C[C@@H]1F)c1ncn2c1C[NH2+]CC2 ZINC001219628528 780244331 /nfs/dbraw/zinc/24/43/31/780244331.db2.gz XVYZROCQTPLDLJ-GXFFZTMASA-N 2 0 297.334 -1.221 20 0 CAADRP C[C@H]1C[NH2+]C[C@H](CNC(=O)/C=C/C(=O)NCC[NH3+])C1 ZINC001219641883 780245330 /nfs/dbraw/zinc/24/53/30/780245330.db2.gz MMAVTTOBVHZDRV-WUNPDAOYSA-N 2 0 268.361 -1.021 20 0 CAADRP C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)NC[C@@H]1C[NH2+]C[C@H](C)C1 ZINC001219650759 780245874 /nfs/dbraw/zinc/24/58/74/780245874.db2.gz QQJKUXONLYYQKN-RCWTZXSCSA-N 2 0 286.376 -1.828 20 0 CAADRP C[C@@H]1C[NH2+]C[C@H](CNC(=O)[C@@H]2COC3(C[NH2+]C3)CN2)C1 ZINC001219641913 780246003 /nfs/dbraw/zinc/24/60/03/780246003.db2.gz MPWRZSGMDFWYQS-TUAOUCFPSA-N 2 0 282.388 -1.321 20 0 CAADRP C[C@@H]1C[NH2+]C[C@@H](CNC(=O)[C@@H]2COC3(C[NH2+]C3)CN2)C1 ZINC001219641912 780246022 /nfs/dbraw/zinc/24/60/22/780246022.db2.gz MPWRZSGMDFWYQS-SRVKXCTJSA-N 2 0 282.388 -1.321 20 0 CAADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC001219671527 780246482 /nfs/dbraw/zinc/24/64/82/780246482.db2.gz IYAZXEXNYAHIKT-IUCAKERBSA-N 2 0 263.363 -1.254 20 0 CAADRP O=C(N[C@H]1CCS(=O)(=O)C1)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001219672008 780246525 /nfs/dbraw/zinc/24/65/25/780246525.db2.gz ZXQYPVLBIBQLHS-JFGNBEQYSA-N 2 0 287.385 -1.511 20 0 CAADRP [NH3+]CCSC[C@H]([NH3+])C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC001219671709 780247246 /nfs/dbraw/zinc/24/72/46/780247246.db2.gz OOOOLJSOEQTTRF-SFYZADRCSA-N 2 0 281.403 -1.691 20 0 CAADRP O=C(N[C@H]1CCS(=O)(=O)C1)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001219671696 780247709 /nfs/dbraw/zinc/24/77/09/780247709.db2.gz OGFCBNWHWAENRE-IUCAKERBSA-N 2 0 273.358 -1.901 20 0 CAADRP C[C@@H]1C[C@@H](CNC(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)C[NH2+]1 ZINC001219684773 780248601 /nfs/dbraw/zinc/24/86/01/780248601.db2.gz RXAJVHJEARJKCB-NQBHXWOUSA-N 3 0 283.420 -1.149 20 0 CAADRP Cn1cncc1C[C@H]([NH3+])C(=O)NCCC1(O)C[NH2+]C1 ZINC001219694063 780248650 /nfs/dbraw/zinc/24/86/50/780248650.db2.gz FJDPYSSMHLSCTL-JTQLQIEISA-N 2 0 267.333 -1.870 20 0 CAADRP C[C@@H]1C[C@@H](CNC(=O)[C@H]2COC3(C[NH2+]C3)CN2)C[NH2+]1 ZINC001219683680 780248662 /nfs/dbraw/zinc/24/86/62/780248662.db2.gz DKSRVARWYCFDQF-GMTAPVOTSA-N 2 0 268.361 -1.569 20 0 CAADRP CCOC(=O)CCNC(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001219691660 780248826 /nfs/dbraw/zinc/24/88/26/780248826.db2.gz SVLKXBRLMCJTJZ-VIFPVBQESA-N 2 0 255.318 -1.135 20 0 CAADRP NC(=O)C1(NC(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)CC1 ZINC001219682286 780248891 /nfs/dbraw/zinc/24/88/91/780248891.db2.gz JGASXQQDKNZRTG-LDYMZIIASA-N 2 0 252.318 -1.680 20 0 CAADRP C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)NC[C@H]1C[NH2+][C@H](C)C1 ZINC001219684245 780248907 /nfs/dbraw/zinc/24/89/07/780248907.db2.gz LUMBGLMLJMISJC-RGOKHQFPSA-N 2 0 272.349 -2.075 20 0 CAADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)NCc1cc[nH]n1 ZINC001219689522 780248997 /nfs/dbraw/zinc/24/89/97/780248997.db2.gz WLBUKVRRWJZRBG-NSHDSACASA-N 2 0 266.349 -1.224 20 0 CAADRP CC[C@H](C)[C@H]([NH3+])C(=O)NCC(=O)NCCC1(O)C[NH2+]C1 ZINC001219697659 780249865 /nfs/dbraw/zinc/24/98/65/780249865.db2.gz WOUGYEMNODFROI-ONGXEEELSA-N 2 0 286.376 -1.683 20 0 CAADRP CN1CCO[C@@H](CNC(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)C1 ZINC001219695473 780249945 /nfs/dbraw/zinc/24/99/45/780249945.db2.gz USTZOBWWOZKJSR-WDEREUQCSA-N 2 0 268.361 -1.758 20 0 CAADRP [NH3+][C@H]1CCCCN(CC(=O)NCCC2(O)C[NH2+]C2)C1=O ZINC001219697300 780250005 /nfs/dbraw/zinc/25/00/05/780250005.db2.gz RPDRHDPWPNWEJN-JTQLQIEISA-N 2 0 284.360 -1.833 20 0 CAADRP CN1CCO[C@@H](CNC(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)C1 ZINC001219695234 780250061 /nfs/dbraw/zinc/25/00/61/780250061.db2.gz RUKPYRZGNORIFX-STQMWFEESA-N 2 0 299.419 -1.816 20 0 CAADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)NCCC1(O)C[NH2+]C1 ZINC001219697033 780250142 /nfs/dbraw/zinc/25/01/42/780250142.db2.gz PAOQXEZAMNOBNW-NSHDSACASA-N 3 0 285.392 -2.423 20 0 CAADRP [NH3+][C@H](Cc1cnc[nH]1)C(=O)NCCC1(O)C[NH2+]C1 ZINC001219695254 780250299 /nfs/dbraw/zinc/25/02/99/780250299.db2.gz SKOGGJONBJKWIK-SECBINFHSA-N 2 0 253.306 -1.880 20 0 CAADRP CN1CCO[C@H](CNC(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)C1 ZINC001219695232 780250315 /nfs/dbraw/zinc/25/03/15/780250315.db2.gz RUKPYRZGNORIFX-OLZOCXBDSA-N 2 0 299.419 -1.816 20 0 CAADRP CC(=O)N[C@@H](CCCC[NH3+])C(=O)NCCC1(O)C[NH2+]C1 ZINC001219696234 780250383 /nfs/dbraw/zinc/25/03/83/780250383.db2.gz DGGDJUWXMGOBBU-NSHDSACASA-N 2 0 286.376 -1.539 20 0 CAADRP O=C(NCCC1(O)C[NH2+]C1)[C@H]1CCCN([C@H]2CC[NH2+]C2)C1 ZINC001219697919 780250389 /nfs/dbraw/zinc/25/03/89/780250389.db2.gz ZZBAAPNPGOOKPP-STQMWFEESA-N 2 0 296.415 -1.099 20 0 CAADRP CC(C)(C)OC[C@H]([NH3+])C(=O)NCCC1(O)C[NH2+]C1 ZINC001219696311 780250520 /nfs/dbraw/zinc/25/05/20/780250520.db2.gz HBSQBRGWPGNIQQ-VIFPVBQESA-N 2 0 259.350 -1.031 20 0 CAADRP O=C(NCCC1(O)C[NH2+]C1)[C@@H]1C[C@@H]2CC[NH2+]C[C@H]2O1 ZINC001219697819 780250531 /nfs/dbraw/zinc/25/05/31/780250531.db2.gz YKHIEKGGBZDMME-GARJFASQSA-N 2 0 269.345 -1.406 20 0 CAADRP [NH3+][C@H](C(=O)NCCC1(O)C[NH2+]C1)C1CC[NH2+]CC1 ZINC001219697218 780250552 /nfs/dbraw/zinc/25/05/52/780250552.db2.gz PVTMKYFBKCTIQS-JTQLQIEISA-N 3 0 256.350 -1.846 20 0 CAADRP [NH3+]CC(=O)N1CCC[C@H]1C(=O)NCCC1(O)C[NH2+]C1 ZINC001219697335 780250956 /nfs/dbraw/zinc/25/09/56/780250956.db2.gz SILAGPXORCRSQR-VIFPVBQESA-N 2 0 270.333 -2.223 20 0 CAADRP O=C(NCCC1(O)C[NH2+]C1)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001219696638 780250976 /nfs/dbraw/zinc/25/09/76/780250976.db2.gz KTZLEDIMXHCQNN-VIFPVBQESA-N 3 0 254.334 -2.364 20 0 CAADRP O=C(NCCC1(O)C[NH2+]C1)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001219697608 780251008 /nfs/dbraw/zinc/25/10/08/780251008.db2.gz VFIAHBVKMQXHNK-NSHDSACASA-N 3 0 282.388 -1.299 20 0 CAADRP CN1CCO[C@@H](CNC(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)C1 ZINC001219695472 780251107 /nfs/dbraw/zinc/25/11/07/780251107.db2.gz USTZOBWWOZKJSR-QWRGUYRKSA-N 2 0 268.361 -1.758 20 0 CAADRP Cn1cncc1C[C@H]([NH3+])C(=O)N[C@@H]1C[NH2+]C[C@H]1O ZINC001219711268 780251722 /nfs/dbraw/zinc/25/17/22/780251722.db2.gz BXBBDBIDFZRQGK-IVZWLZJFSA-N 2 0 253.306 -2.261 20 0 CAADRP [NH3+][C@H](Cc1cccc(O)c1)C(=O)N[C@@H]1C[NH2+]C[C@H]1O ZINC001219712519 780251988 /nfs/dbraw/zinc/25/19/88/780251988.db2.gz QEHRWSLQRNBGHZ-IJLUTSLNSA-N 2 0 265.313 -1.289 20 0 CAADRP O=C(N[C@@H]1C[NH2+]C[C@H]1O)[C@@H]1CCCN([C@H]2CC[NH2+]C2)C1 ZINC001219714142 780252067 /nfs/dbraw/zinc/25/20/67/780252067.db2.gz FEDTYDIIHNSLBP-YVECIDJPSA-N 2 0 282.388 -1.491 20 0 CAADRP C[C@@H](OC(C)(C)C)[C@@H]([NH3+])C(=O)N[C@@H]1C[NH2+]C[C@H]1O ZINC001219711143 780252116 /nfs/dbraw/zinc/25/21/16/780252116.db2.gz ATQZAQUVLNWEKR-ZYUZMQFOSA-N 2 0 259.350 -1.034 20 0 CAADRP Nc1nc(=O)[nH]cc1NC(=O)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001219702345 780252142 /nfs/dbraw/zinc/25/21/42/780252142.db2.gz ZUSMEJZRCCWXIG-ZCFIWIBFSA-N 2 0 264.289 -1.488 20 0 CAADRP N[C@@H](C[NH3+])c1ccc(C(=O)N[C@@H]2C[NH2+]C[C@H]2O)cc1 ZINC001219714226 780252208 /nfs/dbraw/zinc/25/22/08/780252208.db2.gz IUACWTVMFUOHID-QJPTWQEYSA-N 2 0 264.329 -1.292 20 0 CAADRP N[C@H](C[NH3+])c1ccc(C(=O)N[C@@H]2C[NH2+]C[C@H]2O)cc1 ZINC001219714225 780252403 /nfs/dbraw/zinc/25/24/03/780252403.db2.gz IUACWTVMFUOHID-IJLUTSLNSA-N 2 0 264.329 -1.292 20 0 CAADRP O=C(N[C@@H]1C[NH2+]C[C@H]1O)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001219712790 780252463 /nfs/dbraw/zinc/25/24/63/780252463.db2.gz WPXZKGMBWIEWLL-GMTAPVOTSA-N 3 0 268.361 -1.691 20 0 CAADRP O=C(N[C@@H]1C[NH2+]C[C@H]1O)[C@@H]1C[C@@H]2CC[NH2+]C[C@H]2O1 ZINC001219712736 780252488 /nfs/dbraw/zinc/25/24/88/780252488.db2.gz UXOFCSGNERIHBG-UNQZSWDGSA-N 2 0 255.318 -1.798 20 0 CAADRP O=C(N[C@@H]1C[NH2+]C[C@H]1O)[C@@H]1CO[C@@]2(C1)CCC[NH2+]CC2 ZINC001219712825 780252635 /nfs/dbraw/zinc/25/26/35/780252635.db2.gz XFXZCJZYKDIMCJ-SFTQSGBHSA-N 2 0 283.372 -1.016 20 0 CAADRP O=C(N[C@@H]1C[NH2+]C[C@H]1O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001219712380 780252650 /nfs/dbraw/zinc/25/26/50/780252650.db2.gz OJZICWCJTWKCLY-DNRKLUKYSA-N 3 0 254.334 -2.366 20 0 CAADRP Nc1nc(=O)[nH]cc1NC(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001219702344 780252684 /nfs/dbraw/zinc/25/26/84/780252684.db2.gz ZUSMEJZRCCWXIG-LURJTMIESA-N 2 0 264.289 -1.488 20 0 CAADRP [NH3+][C@H]1COC[C@H]1NC(=O)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001219720870 780253041 /nfs/dbraw/zinc/25/30/41/780253041.db2.gz UEERZTVTWLHQJU-GARJFASQSA-N 3 0 268.361 -1.297 20 0 CAADRP [NH3+][C@H]1COC[C@H]1NC(=O)CN1CCCC[C@H]([NH3+])C1=O ZINC001219720868 780253160 /nfs/dbraw/zinc/25/31/60/780253160.db2.gz UBQUFAYUYZYWSO-LPEHRKFASA-N 2 0 270.333 -1.832 20 0 CAADRP [NH3+]CC(=O)N1CCC[C@H]1C(=O)N[C@@H]1COC[C@@H]1[NH3+] ZINC001219720406 780253334 /nfs/dbraw/zinc/25/33/34/780253334.db2.gz LYEZSHVRLKXDDD-YIZRAAEISA-N 2 0 256.306 -2.222 20 0 CAADRP CC(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H]1COC[C@@H]1[NH3+] ZINC001219720944 780253404 /nfs/dbraw/zinc/25/34/04/780253404.db2.gz WKAYPTSNYWTVFC-GARJFASQSA-N 2 0 272.349 -1.538 20 0 CAADRP CC(=O)OC[C@H]([NH3+])C(=O)NC[C@@H]1CC2(C[NH2+]C2)CO1 ZINC001219736529 780253453 /nfs/dbraw/zinc/25/34/53/780253453.db2.gz DGOAKQLSEOCMMQ-UWVGGRQHSA-N 2 0 271.317 -1.629 20 0 CAADRP [NH3+][C@H]1COC[C@H]1NC(=O)[C@@H]1C[C@@H]2CC[NH2+]C[C@H]2O1 ZINC001219720168 780253525 /nfs/dbraw/zinc/25/35/25/780253525.db2.gz HNCMAMQNZLQGFS-QUARPLMYSA-N 2 0 255.318 -1.404 20 0 CAADRP NC(=O)NCCC[C@@H]([NH3+])C(=O)N[C@@H]1COC[C@@H]1[NH3+] ZINC001219719940 780253759 /nfs/dbraw/zinc/25/37/59/780253759.db2.gz AVAZTKHDWAIPKU-GJMOJQLCSA-N 2 0 259.310 -2.396 20 0 CAADRP [NH3+][C@H]1COC[C@H]1NC(=O)[C@H]1CCCN([C@@H]2CC[NH2+]C2)C1 ZINC001219720158 780253793 /nfs/dbraw/zinc/25/37/93/780253793.db2.gz HKVSGKFRLFHQCJ-QNWHQSFQSA-N 2 0 282.388 -1.097 20 0 CAADRP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H]1COC[C@@H]1[NH3+] ZINC001219720702 780254000 /nfs/dbraw/zinc/25/40/00/780254000.db2.gz PLWHVSGXHZWDJP-DKXJUACHSA-N 2 0 287.320 -3.464 20 0 CAADRP [NH3+][C@H](C(=O)NC[C@@H]1CC2(C[NH2+]C2)CO1)C1CC[NH2+]CC1 ZINC001219737091 780254778 /nfs/dbraw/zinc/25/47/78/780254778.db2.gz OLMSXVIFSFBUPB-RYUDHWBXSA-N 3 0 282.388 -1.192 20 0 CAADRP O=C(NC[C@H]1CC2(C[NH2+]C2)CO1)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001219737589 780254808 /nfs/dbraw/zinc/25/48/08/780254808.db2.gz ZRYVJLWJWKJHJP-GHMZBOCLSA-N 3 0 280.372 -1.710 20 0 CAADRP O=C(C[C@@H]1COCC[NH2+]1)NC[C@H]1CC2(C[NH2+]C2)CO1 ZINC001219739071 780254917 /nfs/dbraw/zinc/25/49/17/780254917.db2.gz GLJHSCPWSNNZOH-GHMZBOCLSA-N 2 0 269.345 -1.140 20 0 CAADRP [NH3+]CCC[NH2+]CC(=O)NC[C@H]1CC2(C[NH2+]C2)CO1 ZINC001219737566 780255052 /nfs/dbraw/zinc/25/50/52/780255052.db2.gz ZCMGDFQPDREMEH-SNVBAGLBSA-N 3 0 256.350 -1.581 20 0 CAADRP [NH3+][C@H]1CN[C@H](C(=O)NC[C@@H]2CC3(C[NH2+]C3)CO2)C1 ZINC001219737554 780255244 /nfs/dbraw/zinc/25/52/44/780255244.db2.gz YZKMHYOGVPJUKL-UTLUCORTSA-N 2 0 254.334 -1.830 20 0 CAADRP Nc1nc(=O)c(F)cn1C(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001219741947 780255351 /nfs/dbraw/zinc/25/53/51/780255351.db2.gz YJZAHPGZCIQPOV-LURJTMIESA-N 2 0 267.264 -1.344 20 0 CAADRP O=C(NC[C@H]1CC2(C[NH2+]C2)CO1)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1 ZINC001219736922 780255365 /nfs/dbraw/zinc/25/53/65/780255365.db2.gz LAWJJPMOJHKVBV-WHOHXGKFSA-N 2 0 280.372 -1.569 20 0 CAADRP [NH3+]CCC[NH2+]CC(=O)NC[C@@H]1CC2(C[NH2+]C2)CO1 ZINC001219737565 780255429 /nfs/dbraw/zinc/25/54/29/780255429.db2.gz ZCMGDFQPDREMEH-JTQLQIEISA-N 3 0 256.350 -1.581 20 0 CAADRP [NH3+]CCC[C@H]([NH3+])C(=O)NC[C@H]1CC2(C[NH2+]C2)CO1 ZINC001219737220 780255515 /nfs/dbraw/zinc/25/55/15/780255515.db2.gz QTDKSKGGMSRZAY-ZJUUUORDSA-N 3 0 256.350 -1.453 20 0 CAADRP [NH3+]CCC[C@@H]([NH3+])C(=O)NC[C@H]1CC2(C[NH2+]C2)CO1 ZINC001219737217 780255753 /nfs/dbraw/zinc/25/57/53/780255753.db2.gz QTDKSKGGMSRZAY-NXEZZACHSA-N 3 0 256.350 -1.453 20 0 CAADRP O=C(NC[C@@H]1CC2(C[NH2+]C2)CO1)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001219737591 780255616 /nfs/dbraw/zinc/25/56/16/780255616.db2.gz ZRYVJLWJWKJHJP-QWRGUYRKSA-N 3 0 280.372 -1.710 20 0 CAADRP O=C(NC[C@@H]1CC2(C[NH2+]C2)CO1)[C@H]1C[NH2+]C[C@H]1O ZINC001219737532 780255626 /nfs/dbraw/zinc/25/56/26/780255626.db2.gz YKSWFNFGSJKELL-LPEHRKFASA-N 2 0 255.318 -1.939 20 0 CAADRP N[C@]1(C(=O)NC[C@H]2CC3(C[NH2+]C3)CO2)CC[NH2+]C1 ZINC001219737135 780255640 /nfs/dbraw/zinc/25/56/40/780255640.db2.gz PJSYRPSYKBINJK-BXKDBHETSA-N 2 0 254.334 -1.828 20 0 CAADRP O=C(CNC1CC[NH2+]CC1)NC[C@H]1CC2(C[NH2+]C2)CO1 ZINC001219736963 780255736 /nfs/dbraw/zinc/25/57/36/780255736.db2.gz LOMLJRGPLIADDF-GFCCVEGCSA-N 2 0 282.388 -1.177 20 0 CAADRP O=C(NC[C@H]1CC2(C[NH2+]C2)CO1)[C@@H]1C[NH2+]CCN1 ZINC001219737316 780255837 /nfs/dbraw/zinc/25/58/37/780255837.db2.gz SSALVWAONNIYQO-ZJUUUORDSA-N 2 0 254.334 -1.958 20 0 CAADRP O=C(NC[C@@H]1CC2(C[NH2+]C2)CO1)[C@@H]1C[C@H](O)C[NH2+]1 ZINC001219737008 780255879 /nfs/dbraw/zinc/25/58/79/780255879.db2.gz MRECPNGNSNTUPV-GUBZILKMSA-N 2 0 255.318 -1.796 20 0 CAADRP O=C(NC[C@H]1CC2(C[NH2+]C2)CO1)[C@H]1COC2(C[NH2+]C2)CN1 ZINC001219736745 780255883 /nfs/dbraw/zinc/25/58/83/780255883.db2.gz GMNAQMWPRYDPHE-GHMZBOCLSA-N 2 0 296.371 -2.189 20 0 CAADRP O=C(NC[C@H]1CC2(C[NH2+]C2)CO1)[C@H]1[NH2+]CC[C@H]1O ZINC001219739508 780255916 /nfs/dbraw/zinc/25/59/16/780255916.db2.gz QHJIEOYXWQSWOX-BBBLOLIVSA-N 2 0 255.318 -1.796 20 0 CAADRP O=C(NC[C@H]1CC2(C[NH2+]C2)CO1)[C@@H]1C[C@H](O)C[NH2+]1 ZINC001219737007 780255921 /nfs/dbraw/zinc/25/59/21/780255921.db2.gz MRECPNGNSNTUPV-AEJSXWLSSA-N 2 0 255.318 -1.796 20 0 CAADRP O=C(NC[C@H]1CC2(C[NH2+]C2)CO1)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001219737590 780255924 /nfs/dbraw/zinc/25/59/24/780255924.db2.gz ZRYVJLWJWKJHJP-MNOVXSKESA-N 3 0 280.372 -1.710 20 0 CAADRP O=C(NC[C@H]1CC2(C[NH2+]C2)CO1)[C@H]1C[NH2+]CCN1 ZINC001219737313 780255997 /nfs/dbraw/zinc/25/59/97/780255997.db2.gz SSALVWAONNIYQO-NXEZZACHSA-N 2 0 254.334 -1.958 20 0 CAADRP O=C(NCc1nnc2n1CCC[NH2+]C2)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC001219748776 780256382 /nfs/dbraw/zinc/25/63/82/780256382.db2.gz BNSSWVCKVBOQSB-GDGBQDQQSA-N 2 0 276.344 -1.147 20 0 CAADRP O=C(NC[C@H]1CCC2(CC[NH2+]CC2)O1)[C@H]1C[NH2+]CCN1 ZINC001219743744 780256403 /nfs/dbraw/zinc/25/64/03/780256403.db2.gz KWBVVQNOUPAKBQ-VXGBXAGGSA-N 2 0 282.388 -1.035 20 0 CAADRP [NH3+]CCC[C@@H]([NH3+])C(=O)NCc1nnc2n1CCC[NH2+]C2 ZINC001219746951 780256429 /nfs/dbraw/zinc/25/64/29/780256429.db2.gz OZGFJAXDVKBUFE-SECBINFHSA-N 3 0 281.364 -1.546 20 0 CAADRP N[C@@]1(C(=O)NCc2nnc3n2CCC[NH2+]C3)CCC[NH2+]C1 ZINC001219750268 780256448 /nfs/dbraw/zinc/25/64/48/780256448.db2.gz ZMJNRHJMGLPATL-ZDUSSCGKSA-N 2 0 293.375 -1.532 20 0 CAADRP O=C(C[C@@H]1COCC[NH2+]1)NCc1nnc2n1CCC[NH2+]C2 ZINC001219749374 780256558 /nfs/dbraw/zinc/25/65/58/780256558.db2.gz MGQFJNXBCMWNEG-SNVBAGLBSA-N 2 0 294.359 -1.234 20 0 CAADRP O=C(C[C@H]1COCC[NH2+]1)NCc1nnc2n1CCC[NH2+]C2 ZINC001219749372 780256860 /nfs/dbraw/zinc/25/68/60/780256860.db2.gz MGQFJNXBCMWNEG-JTQLQIEISA-N 2 0 294.359 -1.234 20 0 CAADRP O=C(CN1CC[NH2+]CC1)NCc1nnc2n1CCC[NH2+]C2 ZINC001219749030 780256880 /nfs/dbraw/zinc/25/68/80/780256880.db2.gz HYAIGHQDUKHDIS-UHFFFAOYSA-N 2 0 293.375 -1.707 20 0 CAADRP [NH3+]C[C@@H](O)CC(=O)NCc1nnc2n1CCC[NH2+]C2 ZINC001219747202 780256945 /nfs/dbraw/zinc/25/69/45/780256945.db2.gz RQORSWQVHMRECS-QMMMGPOBSA-N 2 0 268.321 -1.903 20 0 CAADRP [NH3+]CCNCC(=O)NCc1nnc2n1CCC[NH2+]C2 ZINC001219748952 780256970 /nfs/dbraw/zinc/25/69/70/780256970.db2.gz FDZTUPMQDNUUHY-UHFFFAOYSA-N 2 0 267.337 -2.064 20 0 CAADRP [NH3+]CCNCC(=O)NC[C@H]1CCC2(CC[NH2+]CC2)O1 ZINC001219743497 780257113 /nfs/dbraw/zinc/25/71/13/780257113.db2.gz FQFGWXILCMZAQZ-LLVKDONJSA-N 2 0 270.377 -1.048 20 0 CAADRP O=C(NC[C@@H]1CCC2(CC[NH2+]CC2)O1)[C@@H]1C[NH2+]C[C@@H]1O ZINC001219744148 780257119 /nfs/dbraw/zinc/25/71/19/780257119.db2.gz TUZLBISKZDIBTB-TUAOUCFPSA-N 2 0 283.372 -1.016 20 0 CAADRP O=C(NC[C@@H]1CCC2(CC[NH2+]CC2)O1)[C@@H]1C[NH2+]C[C@H]1O ZINC001219744145 780257324 /nfs/dbraw/zinc/25/73/24/780257324.db2.gz TUZLBISKZDIBTB-QJPTWQEYSA-N 2 0 283.372 -1.016 20 0 CAADRP O=C(NCc1nnc2n1CCC[NH2+]C2)[C@@H]1C[C@H](O)C[NH2+]1 ZINC001219749349 780257367 /nfs/dbraw/zinc/25/73/67/780257367.db2.gz LPOAKDNCJCMWQD-IUCAKERBSA-N 2 0 280.332 -1.890 20 0 CAADRP N[C@@]1(C(=O)NC[C@H]2C[C@H]3CNCC[N@@H+]3C2)CCC[NH2+]C1 ZINC001219766625 780258373 /nfs/dbraw/zinc/25/83/73/780258373.db2.gz YJMPOBZWNOZGHY-DYEKYZERSA-N 2 0 281.404 -1.523 20 0 CAADRP O=C(NC[C@H]1C[C@H]2CNCC[N@@H+]2C1)[C@]12C[NH2+]C[C@@H]1CCN2 ZINC001219765087 780258491 /nfs/dbraw/zinc/25/84/91/780258491.db2.gz ULXFRBHHSRYMJY-OSFYFWSMSA-N 2 0 293.415 -1.652 20 0 CAADRP N[C@H]1C[NH2+]C[C@@H]1C(=O)NC[C@H]1C[C@H]2CNCC[N@@H+]2C1 ZINC001219766456 780258555 /nfs/dbraw/zinc/25/85/55/780258555.db2.gz SWPUSZFHDKGXTP-RHYQMDGZSA-N 2 0 267.377 -2.057 20 0 CAADRP O=C(NC[C@H]1C[C@H]2CNCC[N@@H+]2C1)[C@]12C[NH2+]C[C@H]1CCN2 ZINC001219765085 780258881 /nfs/dbraw/zinc/25/88/81/780258881.db2.gz ULXFRBHHSRYMJY-CXTNEJHOSA-N 2 0 293.415 -1.652 20 0 CAADRP N[C@]1(C(=O)NC[C@H]2C[C@H]3CNCC[N@@H+]3C2)CC[NH2+]C1 ZINC001219766380 780259131 /nfs/dbraw/zinc/25/91/31/780259131.db2.gz RJTGZEFTMPQBBL-NTZNESFSSA-N 2 0 267.377 -1.913 20 0 CAADRP O=C(NC[C@H]1C[C@H]2CNCC[N@@H+]2C1)[C@H]1[NH2+]CC[C@@H]1O ZINC001219765939 780259385 /nfs/dbraw/zinc/25/93/85/780259385.db2.gz IVAQCGZKLRTVME-RHYQMDGZSA-N 2 0 268.361 -1.881 20 0 CAADRP O=C(NC[C@H]1C[C@H]2CNCC[N@@H+]2C1)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC001219764891 780259420 /nfs/dbraw/zinc/25/94/20/780259420.db2.gz OJXIKKAIFZDHDK-FHUSYTEZSA-N 2 0 264.373 -1.138 20 0 CAADRP O=C(C[C@H]1COCC[NH2+]1)NC[C@H]1C[C@H]2CNCC[N@@H+]2C1 ZINC001219766117 780259469 /nfs/dbraw/zinc/25/94/69/780259469.db2.gz MNYPMLHGKNPXEJ-AGIUHOORSA-N 2 0 282.388 -1.225 20 0 CAADRP O=C(NC[C@H]1C[C@H]2CNCC[N@@H+]2C1)[C@H]1C[NH2+]CCN1 ZINC001219765863 780259529 /nfs/dbraw/zinc/25/95/29/780259529.db2.gz FUGYXYVEVSQCAV-GRYCIOLGSA-N 2 0 267.377 -2.042 20 0 CAADRP O=C(NC[C@@]1(F)CCC[NH2+]C1)[C@@H]1COC2(C[NH2+]C2)CN1 ZINC001219767806 780259545 /nfs/dbraw/zinc/25/95/45/780259545.db2.gz FIYPEZYOYJCWFS-CMPLNLGQSA-N 2 0 286.351 -1.475 20 0 CAADRP O=C(NC[C@H]1C[C@H]2CNCC[N@@H+]2C1)[C@H]1C[NH2+]C[C@H]1O ZINC001219766404 780259553 /nfs/dbraw/zinc/25/95/53/780259553.db2.gz RTYNQLJQZYKEIQ-NOOOWODRSA-N 2 0 268.361 -2.023 20 0 CAADRP O=C(NC[C@]1(F)CCC[NH2+]C1)[C@@H]1COC2(C[NH2+]C2)CN1 ZINC001219767807 780259611 /nfs/dbraw/zinc/25/96/11/780259611.db2.gz FIYPEZYOYJCWFS-JQWIXIFHSA-N 2 0 286.351 -1.475 20 0 CAADRP N[C@@H](CC[NH3+])C(=O)NC[C@H]1C[C@H]2CNCC[N@@H+]2C1 ZINC001219764540 780259617 /nfs/dbraw/zinc/25/96/17/780259617.db2.gz HWHVFTIQSZWLAZ-VWYCJHECSA-N 2 0 255.366 -1.928 20 0 CAADRP N[C@@H](C[NH3+])C(=O)NC1CC[NH+](C2CC[NH2+]CC2)CC1 ZINC001219793782 780260414 /nfs/dbraw/zinc/26/04/14/780260414.db2.gz KSEJQRJFQGZKKD-LBPRGKRZSA-N 3 0 269.393 -1.395 20 0 CAADRP O=C(NC1CC[NH+](C2CC[NH2+]CC2)CC1)[C@H]1C[NH2+]C[C@@H]1O ZINC001219796117 780260431 /nfs/dbraw/zinc/26/04/31/780260431.db2.gz NDLOZWZAFMPYLI-KBPBESRZSA-N 3 0 296.415 -1.101 20 0 CAADRP C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)NC1CC2(C1)CC[NH2+]CC2 ZINC001219779520 780260481 /nfs/dbraw/zinc/26/04/81/780260481.db2.gz JANPQOLRYIFRRM-ONGXEEELSA-N 2 0 298.387 -1.541 20 0 CAADRP N[C@H]1C[NH2+]C[C@@H]1C(=O)NC1CC[NH+](C2CC[NH2+]CC2)CC1 ZINC001219796232 780260696 /nfs/dbraw/zinc/26/06/96/780260696.db2.gz RXDHVAFWUPXHMP-KBPBESRZSA-N 3 0 295.431 -1.134 20 0 CAADRP N[C@@H](C[NH3+])C(=O)NCC[C@@H]1C[NH2+]Cc2cccn2C1 ZINC001219787820 780261583 /nfs/dbraw/zinc/26/15/83/780261583.db2.gz LYCGVRTXBZAOJB-PWSUYJOCSA-N 2 0 265.361 -1.000 20 0 CAADRP O=C(NCC[C@@H]1CCOC12C[NH2+]C2)[C@H]1C[NH2+]C[C@@H]1O ZINC001219799796 780261679 /nfs/dbraw/zinc/26/16/79/780261679.db2.gz CPZAEQRRUHEAFI-VWYCJHECSA-N 2 0 269.345 -1.549 20 0 CAADRP O=C(NCC[C@@H]1CCOC12C[NH2+]C2)[C@H]1C[NH2+]C[C@H]1O ZINC001219799795 780261711 /nfs/dbraw/zinc/26/17/11/780261711.db2.gz CPZAEQRRUHEAFI-OUAUKWLOSA-N 2 0 269.345 -1.549 20 0 CAADRP [NH3+]CCNCC(=O)NCC[C@H]1CCOC12C[NH2+]C2 ZINC001219799984 780261743 /nfs/dbraw/zinc/26/17/43/780261743.db2.gz FQUNWHKDQYEFBE-JTQLQIEISA-N 2 0 256.350 -1.581 20 0 CAADRP N[C@@H](CC[NH3+])C(=O)NC1CC[NH+](C2CC[NH2+]CC2)CC1 ZINC001219796122 780261748 /nfs/dbraw/zinc/26/17/48/780261748.db2.gz NEEBXCNCYDYHQV-ZDUSSCGKSA-N 4 0 283.420 -1.005 20 0 CAADRP O=C(NCC[C@@H]1CCOC12C[NH2+]C2)[C@@]12C[NH2+]C[C@@H]1CCN2 ZINC001219801247 780262074 /nfs/dbraw/zinc/26/20/74/780262074.db2.gz WMCCUVAKLOVEHO-TYNCELHUSA-N 2 0 294.399 -1.177 20 0 CAADRP C[NH+](C)[C@H](C(=O)N[C@@H]1C[N@H+](CCCO)C[C@@H]1O)C1CC1 ZINC001219805955 780262202 /nfs/dbraw/zinc/26/22/02/780262202.db2.gz WWLGAUAXIRGTDC-AGIUHOORSA-N 2 0 285.388 -1.130 20 0 CAADRP O=C(NCC[C@@H]1CCOC12C[NH2+]C2)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001219800411 780262251 /nfs/dbraw/zinc/26/22/51/780262251.db2.gz JMXMXFBAGOQDFR-VXGBXAGGSA-N 3 0 294.399 -1.320 20 0 CAADRP O=C(NCC[C@@H]1CCOC12C[NH2+]C2)[C@@]12C[NH2+]C[C@H]1CCN2 ZINC001219801246 780262272 /nfs/dbraw/zinc/26/22/72/780262272.db2.gz WMCCUVAKLOVEHO-LALPHHSUSA-N 2 0 294.399 -1.177 20 0 CAADRP O=C(NCC[C@H]1CCOC12C[NH2+]C2)[C@H]1[NH2+]CC[C@H]1O ZINC001219803360 780262326 /nfs/dbraw/zinc/26/23/26/780262326.db2.gz RJXLHDPCOMBETG-AXFHLTTASA-N 2 0 269.345 -1.406 20 0 CAADRP O=C(NCc1noc2c1C[NH2+]CC2)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001219809952 780262366 /nfs/dbraw/zinc/26/23/66/780262366.db2.gz XHAOOBYCQFCPNE-JTQLQIEISA-N 3 0 291.355 -1.255 20 0 CAADRP O=C(NC[C@]12C[NH2+]C[C@H]1COC2)[C@@H]1COC2(C[NH2+]C2)CN1 ZINC001219812729 780262438 /nfs/dbraw/zinc/26/24/38/780262438.db2.gz ICNAOVPVDLRKKV-GVXVVHGQSA-N 2 0 296.371 -2.331 20 0 CAADRP O=C(NC[C@]12C[NH2+]C[C@H]1COC2)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001219812545 780262597 /nfs/dbraw/zinc/26/25/97/780262597.db2.gz DSTQWWGNRCYIOW-PAPYEOQZSA-N 3 0 294.399 -1.462 20 0 CAADRP O=C(NC[C@]12C[NH2+]C[C@H]1COC2)[C@@]12C[NH2+]C[C@H]1CCN2 ZINC001219812905 780262970 /nfs/dbraw/zinc/26/29/70/780262970.db2.gz KOVIMGHWZFNURD-UVLXDEKHSA-N 2 0 280.372 -1.710 20 0 CAADRP O=C(NC[C@]12C[NH2+]C[C@H]1COC2)[C@H]1COC2(C[NH2+]C2)CN1 ZINC001219812730 780263005 /nfs/dbraw/zinc/26/30/05/780263005.db2.gz ICNAOVPVDLRKKV-LOWVWBTDSA-N 2 0 296.371 -2.331 20 0 CAADRP O=C(NC[C@]12C[NH2+]C[C@H]1COC2)[C@]12C[NH2+]C[C@@H]1CCN2 ZINC001219812904 780263018 /nfs/dbraw/zinc/26/30/18/780263018.db2.gz KOVIMGHWZFNURD-IMIFBBOLSA-N 2 0 280.372 -1.710 20 0 CAADRP O=C(CN1CC[NH2+]CC1)NCC[C@H]1CCOC12C[NH2+]C2 ZINC001219800462 780263077 /nfs/dbraw/zinc/26/30/77/780263077.db2.gz KISMSHVCAGGEFT-LBPRGKRZSA-N 2 0 282.388 -1.224 20 0 CAADRP [NH3+]C[C@H](O)CC(=O)NCc1noc2c1C[NH2+]CC2 ZINC001219809979 780263254 /nfs/dbraw/zinc/26/32/54/780263254.db2.gz YAAHOPQVBKYTGO-SSDOTTSWSA-N 2 0 254.290 -1.354 20 0 CAADRP O=C(NCC[C@@H]1CCOC12C[NH2+]C2)[C@]12C[NH2+]C[C@@H]1CCN2 ZINC001219801248 780263277 /nfs/dbraw/zinc/26/32/77/780263277.db2.gz WMCCUVAKLOVEHO-XUJVJEKNSA-N 2 0 294.399 -1.177 20 0 CAADRP N[C@@H](CC[NH3+])C(=O)NCc1noc2c1C[NH2+]CC2 ZINC001219811581 780263414 /nfs/dbraw/zinc/26/34/14/780263414.db2.gz WBNPKACPAOIKDQ-QMMMGPOBSA-N 2 0 253.306 -1.387 20 0 CAADRP O=C(NC[C@H]1C[C@@H]2C[NH2+]C[C@@H]2O1)[C@@]12C[NH2+]C[C@@H]1CCN2 ZINC001219831496 780263942 /nfs/dbraw/zinc/26/39/42/780263942.db2.gz NDJXMINTBQLBOV-GHMOJZLGSA-N 2 0 280.372 -1.569 20 0 CAADRP NC(=O)NCCC[C@@H]([NH3+])C(=O)NC[C@H]1C[C@@H]2C[NH2+]C[C@@H]2O1 ZINC001219831340 780263984 /nfs/dbraw/zinc/26/39/84/780263984.db2.gz HBPOZGWOPOHIOK-DBIOUOCHSA-N 2 0 299.375 -1.745 20 0 CAADRP [NH3+][C@@H](Cc1cnc[nH]1)C(=O)NC[C@H]1C[C@@H]2C[NH2+]C[C@@H]2O1 ZINC001219831682 780264019 /nfs/dbraw/zinc/26/40/19/780264019.db2.gz UIPMCLRCQCNBAV-YJQGPUDQSA-N 2 0 279.344 -1.227 20 0 CAADRP O=C(NC[C@]12C[NH2+]C[C@H]1COC2)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC001219813687 780264089 /nfs/dbraw/zinc/26/40/89/780264089.db2.gz ZJRYUYGXGDFWRI-ONYIWYLUSA-N 2 0 251.330 -1.196 20 0 CAADRP [NH3+][C@@H]1CN[C@H](C(=O)NC[C@]23C[NH2+]C[C@H]2COC3)C1 ZINC001219815171 780264161 /nfs/dbraw/zinc/26/41/61/780264161.db2.gz UJXUZWHGERFOOJ-GMOBBJLQSA-N 2 0 254.334 -1.972 20 0 CAADRP C[S@@](=O)CC[C@H]([NH3+])C(=O)NC[C@]12C[NH2+]C[C@H]1COC2 ZINC001219813453 780264206 /nfs/dbraw/zinc/26/42/06/780264206.db2.gz UYTZVOZPOXUWPP-LTOUFWGNSA-N 2 0 289.401 -1.566 20 0 CAADRP O=C(NC[C@H]1C[C@@H]2C[NH2+]C[C@@H]2O1)[C@H]1COC2(C[NH2+]C2)CN1 ZINC001219831525 780264214 /nfs/dbraw/zinc/26/42/14/780264214.db2.gz NPISWMIXPGDKKI-KKOKHZNYSA-N 2 0 296.371 -2.190 20 0 CAADRP [NH3+][C@@H](C(=O)NC[C@H]1C[C@@H]2C[NH2+]C[C@@H]2O1)C1CC[NH2+]CC1 ZINC001219831710 780264243 /nfs/dbraw/zinc/26/42/43/780264243.db2.gz VASQBBBDDDCIEH-FVCCEPFGSA-N 3 0 282.388 -1.194 20 0 CAADRP [NH3+]CC(=O)N1CCC[C@H]1C(=O)NC[C@H]1C[C@@H]2C[NH2+]C[C@@H]2O1 ZINC001219831484 780264348 /nfs/dbraw/zinc/26/43/48/780264348.db2.gz MPLPUOMDSCESRG-WYUUTHIRSA-N 2 0 296.371 -1.571 20 0 CAADRP O=C(NC[C@]12C[NH2+]C[C@H]1COC2)[C@H]1C[NH2+]C[C@H]1O ZINC001219813658 780264404 /nfs/dbraw/zinc/26/44/04/780264404.db2.gz YMXBZXIFYNDFEE-GUDRVLHUSA-N 2 0 255.318 -2.081 20 0 CAADRP O=C(NC[C@H]1C[C@@H]2C[NH2+]C[C@@H]2O1)[C@H]1[NH2+]CC[C@@H]1O ZINC001219831572 780264416 /nfs/dbraw/zinc/26/44/16/780264416.db2.gz PILNYVYMEPPNCW-UVOCVTCTSA-N 2 0 255.318 -1.798 20 0 CAADRP N[C@H]1C[NH2+]C[C@@H]1C(=O)NC[C@H]1C[C@@H]2C[NH2+]C[C@@H]2O1 ZINC001219831224 780264444 /nfs/dbraw/zinc/26/44/44/780264444.db2.gz CAGOLQKHGZPLBP-UVOCVTCTSA-N 2 0 254.334 -1.974 20 0 CAADRP O=C(NC[C@H]1C[C@@H]2C[NH2+]C[C@@H]2O1)[C@@H]1C[NH2+]C[C@H]1O ZINC001219831175 780264486 /nfs/dbraw/zinc/26/44/86/780264486.db2.gz AHAPADJEPUOBFA-ILAIQSSSSA-N 2 0 255.318 -1.940 20 0 CAADRP O=C(NC[C@H]1C[C@@H]2C[NH2+]C[C@@H]2O1)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001219831607 780264507 /nfs/dbraw/zinc/26/45/07/780264507.db2.gz QLXZLRXFBFNYBQ-WYUUTHIRSA-N 3 0 280.372 -1.712 20 0 CAADRP C[S@@](=O)CC[C@H]([NH3+])C(=O)NC[C@H]1C[C@@H]2C[NH2+]C[C@@H]2O1 ZINC001219831184 780264573 /nfs/dbraw/zinc/26/45/73/780264573.db2.gz ALUREOBHPVILDB-NMVCOTICSA-N 2 0 289.401 -1.425 20 0 CAADRP [NH3+]CCSC[C@H]([NH3+])C(=O)NC[C@H]1C[C@@H]2C[NH2+]C[C@@H]2O1 ZINC001219831646 780264885 /nfs/dbraw/zinc/26/48/85/780264885.db2.gz RRQPJXYYNXRRBU-ZNSHCXBVSA-N 3 0 288.417 -1.501 20 0 CAADRP [NH3+]CCC[NH2+]CC(=O)NC[C@]12C[NH2+]C[C@H]1COC2 ZINC001219814817 780264659 /nfs/dbraw/zinc/26/46/59/780264659.db2.gz MMBCRTCRNXEXRT-JQWIXIFHSA-N 3 0 256.350 -1.723 20 0 CAADRP [NH3+][C@@H](Cc1cnc[nH]1)C(=O)NC[C@]12C[NH2+]C[C@H]1COC2 ZINC001219813100 780264736 /nfs/dbraw/zinc/26/47/36/780264736.db2.gz OAZHNRRFIVNWQB-GAFUQQFSSA-N 2 0 279.344 -1.368 20 0 CAADRP O=C(NC[C@]12C[NH2+]C[C@H]1COC2)[C@@H]1C[NH2+]C[C@H]1O ZINC001219813660 780264785 /nfs/dbraw/zinc/26/47/85/780264785.db2.gz YMXBZXIFYNDFEE-XNDJQWLSSA-N 2 0 255.318 -2.081 20 0 CAADRP O=C(NC[C@H]1C[C@@H]2C[NH2+]C[C@@H]2O1)[C@H]1C[NH2+]CCN1 ZINC001219831587 780264976 /nfs/dbraw/zinc/26/49/76/780264976.db2.gz PTQYLZYTNJQTKO-DBIOUOCHSA-N 2 0 254.334 -1.959 20 0 CAADRP [NH3+]CCC[NH2+]CC(=O)NC[C@H]1C[C@@H]2C[NH2+]C[C@@H]2O1 ZINC001219831577 780265032 /nfs/dbraw/zinc/26/50/32/780265032.db2.gz PNEGUIIDPOQCHB-MXWKQRLJSA-N 3 0 256.350 -1.582 20 0 CAADRP N[C@@]1(C(=O)NC[C@H]2C[C@@H]3C[NH2+]C[C@@H]3O2)CCC[NH2+]C1 ZINC001219831372 780265047 /nfs/dbraw/zinc/26/50/47/780265047.db2.gz IKQUWLLMIMBJSQ-DCQANWLSSA-N 2 0 268.361 -1.440 20 0 CAADRP [NH3+][C@H]1CN[C@H](C(=O)NC[C@H]2C[C@@H]3C[NH2+]C[C@@H]3O2)C1 ZINC001219831816 780265157 /nfs/dbraw/zinc/26/51/57/780265157.db2.gz ZAMMWTUGKGQTNN-APLZJWDSSA-N 2 0 254.334 -1.831 20 0 CAADRP N[C@@]1(C(=O)NC[C@]23C[NH2+]C[C@H]2COC3)CC[NH2+]C1 ZINC001219814594 780265173 /nfs/dbraw/zinc/26/51/73/780265173.db2.gz HPOMSLHHCUMXTP-DLOVCJGASA-N 2 0 254.334 -1.971 20 0 CAADRP O=C(NC[C@@H]1CO[C@]2(C1)C[NH2+]CCOC2)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC001219838597 780265477 /nfs/dbraw/zinc/26/54/77/780265477.db2.gz SDUIMVAAMZEMOO-DGMCESFYSA-N 2 0 295.383 -1.037 20 0 CAADRP C[C@@H]([NH3+])C(=O)NC[C@H]1CO[C@]2(C1)C[NH2+]CCOC2 ZINC001219834342 780265502 /nfs/dbraw/zinc/26/55/02/780265502.db2.gz PYTXZJISYZHGMI-JFGNBEQYSA-N 2 0 257.334 -1.155 20 0 CAADRP O=C(NC[C@@H]1CO[C@@]2(C1)C[NH2+]CCOC2)[C@H]1[NH2+]CC[C@H]1O ZINC001219837709 780265626 /nfs/dbraw/zinc/26/56/26/780265626.db2.gz LHUSOMHRNATLKF-NMKXLXIOSA-N 2 0 299.371 -1.780 20 0 CAADRP [NH3+][C@H]1CN[C@H](C(=O)NC[C@@H]2CO[C@]3(C2)C[NH2+]CCOC3)C1 ZINC001219837059 780265789 /nfs/dbraw/zinc/26/57/89/780265789.db2.gz HCBVEGOOOYRZSM-NRWUCQMLSA-N 2 0 298.387 -1.813 20 0 CAADRP O=C(NC[C@@H]1CO[C@@]2(C1)C[NH2+]CCOC2)[C@H]1C[NH2+]CCN1 ZINC001219837774 780265941 /nfs/dbraw/zinc/26/59/41/780265941.db2.gz LUXJDUQHLWKATL-BZPMIXESSA-N 2 0 298.387 -1.941 20 0 CAADRP N[C@@H](C[NH3+])C(=O)NC[C@H]1CO[C@@]2(C1)C[NH2+]CCOC2 ZINC001219833567 780265951 /nfs/dbraw/zinc/26/59/51/780265951.db2.gz DYRZCUBZMLNUAY-NHCYSSNCSA-N 2 0 272.349 -2.216 20 0 CAADRP N[C@@H](C[NH3+])C(=O)NC[C@@H]1CO[C@]2(C1)C[NH2+]CCOC2 ZINC001219833565 780266083 /nfs/dbraw/zinc/26/60/83/780266083.db2.gz DYRZCUBZMLNUAY-JFGNBEQYSA-N 2 0 272.349 -2.216 20 0 CAADRP N[C@@H](C[NH3+])C(=O)NC[C@@H]1CO[C@@]2(C1)C[NH2+]CCOC2 ZINC001219833568 780266110 /nfs/dbraw/zinc/26/61/10/780266110.db2.gz DYRZCUBZMLNUAY-SCVCMEIPSA-N 2 0 272.349 -2.216 20 0 CAADRP O=C(NC[C@H]1CO[C@@]2(C1)C[NH2+]CCOC2)[C@@H]1CC[NH2+]1 ZINC001219834746 780266165 /nfs/dbraw/zinc/26/61/65/780266165.db2.gz SUZZZPRKRNGJOR-GVXVVHGQSA-N 2 0 269.345 -1.140 20 0 CAADRP O=C(NC[C@H]1CO[C@]2(C1)C[NH2+]CCOC2)[C@@H]1CC[NH2+]1 ZINC001219834745 780266284 /nfs/dbraw/zinc/26/62/84/780266284.db2.gz SUZZZPRKRNGJOR-GMXVVIOVSA-N 2 0 269.345 -1.140 20 0 CAADRP [NH3+][C@H]1CN[C@H](C(=O)NC[C@H]2CO[C@]3(C2)C[NH2+]CCOC3)C1 ZINC001219837056 780266325 /nfs/dbraw/zinc/26/63/25/780266325.db2.gz HCBVEGOOOYRZSM-KZVDOYCCSA-N 2 0 298.387 -1.813 20 0 CAADRP O=C(NC[C@H]1CO[C@]2(C1)C[NH2+]CCOC2)[C@@H]1C[C@H](O)C[NH2+]1 ZINC001219837976 780266491 /nfs/dbraw/zinc/26/64/91/780266491.db2.gz NGZGWFRIBIGBOI-ZJQBRPOHSA-N 2 0 299.371 -1.780 20 0 CAADRP [NH3+][C@H]1CN[C@H](C(=O)NC[C@@H]2CO[C@@]3(C2)C[NH2+]CCOC3)C1 ZINC001219837058 780266526 /nfs/dbraw/zinc/26/65/26/780266526.db2.gz HCBVEGOOOYRZSM-NMKXLXIOSA-N 2 0 298.387 -1.813 20 0 CAADRP O=C(NC[C@H]1CO[C@@]2(C1)C[NH2+]CCOC2)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC001219838599 780266541 /nfs/dbraw/zinc/26/65/41/780266541.db2.gz SDUIMVAAMZEMOO-WHPHWUKISA-N 2 0 295.383 -1.037 20 0 CAADRP O=C(NC[C@@H]1CO[C@@]2(C1)C[NH2+]CCOC2)[C@@H]1C[C@H](O)C[NH2+]1 ZINC001219837975 780266554 /nfs/dbraw/zinc/26/65/54/780266554.db2.gz NGZGWFRIBIGBOI-UHXUPSOCSA-N 2 0 299.371 -1.780 20 0 CAADRP O=C(NC[C@H]1CO[C@]2(C1)C[NH2+]CCOC2)[C@@H]1C[NH2+]CCN1 ZINC001219837786 780266612 /nfs/dbraw/zinc/26/66/12/780266612.db2.gz LUXJDUQHLWKATL-SGMGOOAPSA-N 2 0 298.387 -1.941 20 0 CAADRP N[C@@H](CC[NH3+])C(=O)NC[C@@H]1CO[C@]2(C1)C[NH2+]CCOC2 ZINC001219838591 780266646 /nfs/dbraw/zinc/26/66/46/780266646.db2.gz SCCJRYKSSRCVNQ-NTZNESFSSA-N 2 0 286.376 -1.826 20 0 CAADRP NC1(C(=O)N[C@H]2CC[C@@H]3[NH2+]CCO[C@@H]23)CC[NH2+]CC1 ZINC001219847705 780267210 /nfs/dbraw/zinc/26/72/10/780267210.db2.gz PNKGZGBAFOTCPE-GARJFASQSA-N 2 0 268.361 -1.297 20 0 CAADRP O=C(N[C@H]1CC[C@@H]2[NH2+]CCO[C@@H]12)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001219847500 780267340 /nfs/dbraw/zinc/26/73/40/780267340.db2.gz JDNVOVJRXOCLMK-NOOOWODRSA-N 3 0 280.372 -1.569 20 0 CAADRP N[C@]1(C(=O)N[C@H]2CC[C@@H]3[NH2+]CCO[C@@H]23)CCC[NH2+]C1 ZINC001219847521 780267411 /nfs/dbraw/zinc/26/74/11/780267411.db2.gz JULJNJZGUVVQQU-MEWQQHAOSA-N 2 0 268.361 -1.297 20 0 CAADRP [NH3+]CCC[NH2+]CC(=O)N[C@H]1CC[C@@H]2[NH2+]CCO[C@@H]12 ZINC001219847634 780267527 /nfs/dbraw/zinc/26/75/27/780267527.db2.gz NHOSMGDANIHIAJ-JBLDHEPKSA-N 3 0 256.350 -1.440 20 0 CAADRP N[C@H]1C[NH2+]C[C@@H]1C(=O)NC[C@@H]1CO[C@]2(C1)C[NH2+]CCOC2 ZINC001219839215 780267560 /nfs/dbraw/zinc/26/75/60/780267560.db2.gz YFJIZDCIWIDBHH-OWTLIXCDSA-N 2 0 298.387 -1.956 20 0 CAADRP O=C(N[C@H]1CC[C@@H]2[NH2+]CCO[C@@H]12)[C@H]1[NH2+]CC[C@@H]1O ZINC001219848059 780267573 /nfs/dbraw/zinc/26/75/73/780267573.db2.gz VWHFBZQCJULVEF-AJBSGBCOSA-N 2 0 255.318 -1.655 20 0 CAADRP O=C(N[C@H]1CC[C@@H]2[NH2+]CCO[C@@H]12)[C@]12C[NH2+]C[C@H]1CCN2 ZINC001219847623 780267578 /nfs/dbraw/zinc/26/75/78/780267578.db2.gz MZTBNSCJAOWUSI-LARJDALCSA-N 2 0 280.372 -1.427 20 0 CAADRP O=C(N[C@H]1CC[C@@H]2[NH2+]CCO[C@@H]12)[C@@H]1C[NH2+]CCN1 ZINC001219847221 780267641 /nfs/dbraw/zinc/26/76/41/780267641.db2.gz AKLGGZUFWYZLAW-XWLWVQCSSA-N 2 0 254.334 -1.817 20 0 CAADRP O=C(N[C@H]1CC[C@@H]2[NH2+]CCO[C@@H]12)[C@H]1C[NH2+]C[C@@H]1O ZINC001219847804 780267651 /nfs/dbraw/zinc/26/76/51/780267651.db2.gz SPSFBYOFGFIFLW-AJBSGBCOSA-N 2 0 255.318 -1.798 20 0 CAADRP N[C@H]1C[NH2+]C[C@@H]1C(=O)NC[C@H]1CO[C@@]2(C1)C[NH2+]CCOC2 ZINC001219839214 780267668 /nfs/dbraw/zinc/26/76/68/780267668.db2.gz YFJIZDCIWIDBHH-MNXVOIDGSA-N 2 0 298.387 -1.956 20 0 CAADRP N[C@@]1(C(=O)N[C@H]2CC[C@@H]3[NH2+]CCO[C@@H]23)CC[NH2+]C1 ZINC001219847326 780267721 /nfs/dbraw/zinc/26/77/21/780267721.db2.gz DBXBKFHPXMTEFB-GUDRVLHUSA-N 2 0 254.334 -1.687 20 0 CAADRP O=C(N[C@H]1CC[C@@H]2[NH2+]CCO[C@@H]12)[C@H]1C[C@@H](O)C[NH2+]1 ZINC001219847759 780267747 /nfs/dbraw/zinc/26/77/47/780267747.db2.gz RSTRCHNQJRWDMP-ZKKRXERASA-N 2 0 255.318 -1.655 20 0 CAADRP O=C(N[C@H]1CC[C@@H]2[NH2+]CCO[C@@H]12)[C@@H]1C[NH2+]C[C@H]1O ZINC001219847807 780267756 /nfs/dbraw/zinc/26/77/56/780267756.db2.gz SPSFBYOFGFIFLW-ZKKRXERASA-N 2 0 255.318 -1.798 20 0 CAADRP N[C@]1(C(=O)N[C@H]2CC[C@@H]3[NH2+]CCO[C@@H]23)CC[NH2+]C1 ZINC001219847327 780267808 /nfs/dbraw/zinc/26/78/08/780267808.db2.gz DBXBKFHPXMTEFB-UXCLJVHYSA-N 2 0 254.334 -1.687 20 0 CAADRP [NH3+]CCC[C@H]([NH3+])C(=O)N[C@H]1CC[C@@H]2[NH2+]CCO[C@@H]12 ZINC001219847976 780267868 /nfs/dbraw/zinc/26/78/68/780267868.db2.gz ULWCBXICNZSQKO-XWLWVQCSSA-N 3 0 256.350 -1.312 20 0 CAADRP [NH3+][C@H](Cc1cnc[nH]1)C(=O)N[C@H]1CC[C@@H]2[NH2+]CCO[C@@H]12 ZINC001219847788 780267982 /nfs/dbraw/zinc/26/79/82/780267982.db2.gz SFRUUYAKHNQCLL-NOOOWODRSA-N 2 0 279.344 -1.085 20 0 CAADRP [NH3+][C@H]1CN[C@H](C(=O)N[C@H]2CC[C@@H]3[NH2+]CCO[C@@H]23)C1 ZINC001219847257 780268073 /nfs/dbraw/zinc/26/80/73/780268073.db2.gz BAXPFHKQRXFKQD-ORMBPQIASA-N 2 0 254.334 -1.689 20 0 CAADRP [NH3+][C@@H]1CN[C@H](C(=O)N[C@H]2CC[C@@H]3[NH2+]CCO[C@@H]23)C1 ZINC001219847256 780268094 /nfs/dbraw/zinc/26/80/94/780268094.db2.gz BAXPFHKQRXFKQD-AJBSGBCOSA-N 2 0 254.334 -1.689 20 0 CAADRP O=C(CN1CC[NH2+]CC1)N[C@H]1CC[C@@H]2[NH2+]CCO[C@@H]12 ZINC001219847747 780268270 /nfs/dbraw/zinc/26/82/70/780268270.db2.gz RIOBNGLZZPCFEV-GMXVVIOVSA-N 2 0 268.361 -1.473 20 0 CAADRP [NH3+][C@@H](C(=O)N[C@H]1CC[C@@H]2[NH2+]CCO[C@@H]12)C1CC[NH2+]CC1 ZINC001219847655 780268407 /nfs/dbraw/zinc/26/84/07/780268407.db2.gz NWIGOGFCDBBUKM-WUHRBBMRSA-N 3 0 282.388 -1.051 20 0 CAADRP O=C(N[C@H]1CC[C@@H]2[NH2+]CCO[C@@H]12)[C@@]12C[NH2+]C[C@H]1CCN2 ZINC001219847624 780268723 /nfs/dbraw/zinc/26/87/23/780268723.db2.gz MZTBNSCJAOWUSI-OIRVYTLQSA-N 2 0 280.372 -1.427 20 0 CAADRP [NH3+]C[C@H](O)CC(=O)NC[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21 ZINC001219850670 780269123 /nfs/dbraw/zinc/26/91/23/780269123.db2.gz ZJWKSJMMFCSBCJ-ZRUFSTJUSA-N 2 0 257.334 -1.563 20 0 CAADRP CCOC(=O)[C@@H]1C[NH2+]C[C@H]1C(=O)N[C@H]1CO[C@@H]2C[NH2+]C[C@H]12 ZINC001219856196 780269174 /nfs/dbraw/zinc/26/91/74/780269174.db2.gz BQXQJDPMCHZOLU-PZWNZHSQSA-N 2 0 297.355 -1.512 20 0 CAADRP O=C(NC[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21)[C@H]1C[C@@H](O)C[NH2+]1 ZINC001219852777 780269382 /nfs/dbraw/zinc/26/93/82/780269382.db2.gz ZLXVQEAXWBVNNM-RNWYCLNJSA-N 2 0 269.345 -1.550 20 0 CAADRP [NH3+]CCC[NH2+]CC(=O)NC[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21 ZINC001219852005 780269424 /nfs/dbraw/zinc/26/94/24/780269424.db2.gz JVTZNETXXDGFST-SDDRHHMPSA-N 3 0 270.377 -1.335 20 0 CAADRP [NH3+][C@@H]1CN[C@H](C(=O)NC[C@H]2OC[C@@H]3CC[NH2+]C[C@@H]32)C1 ZINC001219851713 780269497 /nfs/dbraw/zinc/26/94/97/780269497.db2.gz BPCGPYSEXPNRNS-UHFZAUJKSA-N 2 0 268.361 -1.584 20 0 CAADRP [NH3+][C@H](C(=O)N[C@H]1CO[C@@H]2C[NH2+]C[C@H]12)C1CC[NH2+]CC1 ZINC001219856421 780269528 /nfs/dbraw/zinc/26/95/28/780269528.db2.gz LWWMDHGBPDFOMR-KXNHARMFSA-N 3 0 268.361 -1.584 20 0 CAADRP O=C(N[C@H]1CO[C@@H]2C[NH2+]C[C@H]12)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1 ZINC001219854753 780269603 /nfs/dbraw/zinc/26/96/03/780269603.db2.gz SXQKECUMSDFSKE-GUWRXMSHSA-N 2 0 266.345 -1.961 20 0 CAADRP O=C(NC[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21)[C@@H]1C[C@H](O)C[NH2+]1 ZINC001219852778 780269767 /nfs/dbraw/zinc/26/97/67/780269767.db2.gz ZLXVQEAXWBVNNM-UHFZAUJKSA-N 2 0 269.345 -1.550 20 0 CAADRP O=C(N[C@H]1CO[C@@H]2C[NH2+]C[C@H]12)[C@@H]1COC2(C[NH2+]C2)CN1 ZINC001219854602 780269926 /nfs/dbraw/zinc/26/99/26/780269926.db2.gz MREVUUUPTVPXKR-VPOLOUISSA-N 2 0 282.344 -2.580 20 0 CAADRP CC[C@H](C)[C@H]([NH3+])C(=O)NCC(=O)N[C@H]1CO[C@@H]2C[NH2+]C[C@H]12 ZINC001219856446 780270010 /nfs/dbraw/zinc/27/00/10/780270010.db2.gz MVGCYGFQVZIRPR-UGCHFJIKSA-N 2 0 298.387 -1.421 20 0 CAADRP CC[C@H](C(=O)N[C@@H]1C[N@H+](CCCO)C[C@@H]1O)[NH+](C)C ZINC001219869934 780270757 /nfs/dbraw/zinc/27/07/57/780270757.db2.gz VSYYVWIZEYIKQQ-UTUOFQBUSA-N 2 0 273.377 -1.130 20 0 CAADRP [NH3+]CCNC(=O)CNC(=O)[C@@H]([NH3+])Cc1ccccc1 ZINC001219870657 780270793 /nfs/dbraw/zinc/27/07/93/780270793.db2.gz ORZZGAHURBJAFZ-NSHDSACASA-N 2 0 264.329 -1.253 20 0 CAADRP O=C(NC[C@@H](O)CO)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001219865184 780270822 /nfs/dbraw/zinc/27/08/22/780270822.db2.gz FDLVIHHCJBPWLG-NXEZZACHSA-N 2 0 257.334 -1.670 20 0 CAADRP NC(=O)c1ccc(C[C@H]([NH3+])C(=O)NCC[NH3+])cc1 ZINC001219870733 780271084 /nfs/dbraw/zinc/27/10/84/780271084.db2.gz RPVCBEMGACXDGY-JTQLQIEISA-N 2 0 250.302 -1.270 20 0 CAADRP O=C(NC[C@@H](O)CO)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001219865185 780271527 /nfs/dbraw/zinc/27/15/27/780271527.db2.gz FDLVIHHCJBPWLG-ZJUUUORDSA-N 2 0 257.334 -1.670 20 0 CAADRP CCOC(=O)CC(=N)NC(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001219883180 780272631 /nfs/dbraw/zinc/27/26/31/780272631.db2.gz QPROMFFKXOTOCT-SNVBAGLBSA-N 2 0 299.375 -1.217 20 0 CAADRP CCOC(=O)CC(=N)NC(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001219883179 780272657 /nfs/dbraw/zinc/27/26/57/780272657.db2.gz QPROMFFKXOTOCT-JTQLQIEISA-N 2 0 299.375 -1.217 20 0 CAADRP CC(=O)N1C[C@@H]2C[C@]2(NC(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)C1 ZINC001219890686 780274362 /nfs/dbraw/zinc/27/43/62/780274362.db2.gz JSODJAJIFFDXJC-WDMOLILDSA-N 2 0 278.356 -1.468 20 0 CAADRP O=C(NCC[NH2+]CCO)[C@@H]1C[C@@H]2CC[NH2+]C[C@H]2O1 ZINC001219918594 780276445 /nfs/dbraw/zinc/27/64/45/780276445.db2.gz OCQLBAVRJKHEGB-GARJFASQSA-N 2 0 257.334 -1.549 20 0 CAADRP [NH3+]CC(=O)N1CCC[C@H]1C(=O)NCC[NH2+]CCO ZINC001219918719 780276525 /nfs/dbraw/zinc/27/65/25/780276525.db2.gz PZBNWRJPJOZTLC-VIFPVBQESA-N 2 0 258.322 -2.366 20 0 CAADRP CC(=O)N[C@@H](CCCC[NH3+])C(=O)NCC[NH2+]CCO ZINC001219919226 780276737 /nfs/dbraw/zinc/27/67/37/780276737.db2.gz ZSGSNSFCLVCVCW-NSHDSACASA-N 2 0 274.365 -1.682 20 0 CAADRP C[S@](=O)CC[C@H]([NH3+])C(=O)NCC[NH2+]CCO ZINC001219919042 780276944 /nfs/dbraw/zinc/27/69/44/780276944.db2.gz WEJOBJIOVFIITE-PWJLMRLQSA-N 2 0 251.352 -2.220 20 0 CAADRP CC[C@H](C)[C@H]([NH3+])C(=O)NCC(=O)NCC[NH2+]CCO ZINC001219918914 780277010 /nfs/dbraw/zinc/27/70/10/780277010.db2.gz TZZXUWQMMXKUKM-ONGXEEELSA-N 2 0 274.365 -1.826 20 0 CAADRP [NH3+][C@H]1CCCCN(CC(=O)NCC[NH2+]CCO)C1=O ZINC001219918267 780277147 /nfs/dbraw/zinc/27/71/47/780277147.db2.gz JAYXWMBIXDVNFE-JTQLQIEISA-N 2 0 272.349 -1.976 20 0 CAADRP C[NH+](C)CCCC[C@H]([NH3+])C(=O)NCC[NH2+]CCO ZINC001219919031 780277230 /nfs/dbraw/zinc/27/72/30/780277230.db2.gz VVVGZGPFRNHQHH-NSHDSACASA-N 3 0 260.382 -1.256 20 0 CAADRP O=C(N[C@H]1C=CS(=O)(=O)C1)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001219945147 780278677 /nfs/dbraw/zinc/27/86/77/780278677.db2.gz BPIVRUWQDLJSAJ-DTWKUNHWSA-N 2 0 271.342 -1.778 20 0 CAADRP O=C(N[C@H]1C=CS(=O)(=O)C1)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001219945667 780278898 /nfs/dbraw/zinc/27/88/98/780278898.db2.gz PNDSJKSPFXPSEM-JFGNBEQYSA-N 2 0 285.369 -1.388 20 0 CAADRP [NH3+][C@@H](C(=O)N[C@H]1C=CS(=O)(=O)C1)C1CC[NH2+]CC1 ZINC001219945615 780279826 /nfs/dbraw/zinc/27/98/26/780279826.db2.gz NZVISXSUHDPWFE-VHSXEESVSA-N 2 0 273.358 -1.260 20 0 CAADRP Cc1nonc1CNC(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001219948181 780279923 /nfs/dbraw/zinc/27/99/23/780279923.db2.gz OBDMBUCCSHPBFK-QMMMGPOBSA-N 2 0 251.290 -1.197 20 0 CAADRP [NH3+]CCSC[C@H]([NH3+])C(=O)N[C@@H]1C=CS(=O)(=O)C1 ZINC001219945578 780279982 /nfs/dbraw/zinc/27/99/82/780279982.db2.gz NHESESYNSITZSH-SFYZADRCSA-N 2 0 279.387 -1.568 20 0 CAADRP O=C(NC[C@@H]1CCC(=O)N1)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001219959576 780280414 /nfs/dbraw/zinc/28/04/14/780280414.db2.gz ZEGSIZDEZCCEQC-GBIKHYSHSA-N 2 0 266.345 -1.420 20 0 CAADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)NC[C@@H]1CCC(=O)N1 ZINC001219959415 780280806 /nfs/dbraw/zinc/28/08/06/780280806.db2.gz UFYHIIZOXUILFL-QWRGUYRKSA-N 2 0 283.376 -1.868 20 0 CAADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)NC[C@H]1CCC(=O)N1 ZINC001219959414 780280831 /nfs/dbraw/zinc/28/08/31/780280831.db2.gz UFYHIIZOXUILFL-MNOVXSKESA-N 2 0 283.376 -1.868 20 0 CAADRP Cc1nonc1CNC(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001219948065 780281175 /nfs/dbraw/zinc/28/11/75/780281175.db2.gz JXPNYHWZAQXLIT-JTQLQIEISA-N 2 0 282.348 -1.255 20 0 CAADRP Cc1nonc1CNC(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001219948066 780281519 /nfs/dbraw/zinc/28/15/19/780281519.db2.gz JXPNYHWZAQXLIT-SNVBAGLBSA-N 2 0 282.348 -1.255 20 0 CAADRP CNS(=O)(=O)CCNC(=O)C[C@@H]([NH3+])CCCC[NH3+] ZINC001219961746 780282314 /nfs/dbraw/zinc/28/23/14/780282314.db2.gz VBGKWTZNXLINEB-VIFPVBQESA-N 2 0 280.394 -1.502 20 0 CAADRP CNS(=O)(=O)CCNC(=O)[C@@H]([NH3+])CSCC[NH3+] ZINC001219961838 780282358 /nfs/dbraw/zinc/28/23/58/780282358.db2.gz YPVLVNPPTMAAHR-ZETCQYMHSA-N 2 0 284.407 -2.329 20 0 CAADRP CNS(=O)(=O)CCNC(=O)[C@H]([NH3+])C1CC[NH2+]CC1 ZINC001219960924 780282531 /nfs/dbraw/zinc/28/25/31/780282531.db2.gz CDVQONSTJXNCHM-SECBINFHSA-N 2 0 278.378 -2.021 20 0 CAADRP CNS(=O)(=O)CCNC(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001219961848 780282544 /nfs/dbraw/zinc/28/25/44/780282544.db2.gz ZCWCPCODDKFINJ-QMMMGPOBSA-N 2 0 276.362 -2.539 20 0 CAADRP CNS(=O)(=O)CCNC(=O)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001219961847 780282589 /nfs/dbraw/zinc/28/25/89/780282589.db2.gz ZCWCPCODDKFINJ-MRVPVSSYSA-N 2 0 276.362 -2.539 20 0 CAADRP [NH3+]CCC[C@@H]([NH3+])C(=O)NCCCc1c[nH][nH]c1=O ZINC001219967996 780282891 /nfs/dbraw/zinc/28/28/91/780282891.db2.gz ROZMQNRZGVOPDD-RKDXNWHRSA-N 2 0 255.322 -1.319 20 0 CAADRP [NH3+][C@H](C(=O)NC[C@@H]1CCC(=O)N1)C1CC[NH2+]CC1 ZINC001219959549 780283386 /nfs/dbraw/zinc/28/33/86/780283386.db2.gz YMQHRUWVMLLVHW-ONGXEEELSA-N 2 0 254.334 -1.292 20 0 CAADRP [NH3+]CCC[C@H]([NH3+])C(=O)NCCCc1c[nH][nH]c1=O ZINC001219967993 780283425 /nfs/dbraw/zinc/28/34/25/780283425.db2.gz ROZMQNRZGVOPDD-BDAKNGLRSA-N 2 0 255.322 -1.319 20 0 CAADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N[C@H]1CN[C@H](C(=O)OC)C1 ZINC001219965682 780284626 /nfs/dbraw/zinc/28/46/26/780284626.db2.gz WYTCWHASPGGPCI-VWYCJHECSA-N 2 0 286.376 -1.277 20 0 CAADRP COC(=O)[C@@H]1C[C@@H](NC(=O)C[NH2+]CCC[NH3+])CN1 ZINC001219967641 780284709 /nfs/dbraw/zinc/28/47/09/780284709.db2.gz DEZDHUBIAWMNGN-BDAKNGLRSA-N 2 0 258.322 -2.056 20 0 CAADRP COC(=O)[C@@H]1C[C@@H](NC(=O)[C@@H]([NH3+])C2CC[NH2+]CC2)CN1 ZINC001219967655 780284818 /nfs/dbraw/zinc/28/48/18/780284818.db2.gz DMYAZBMKDOZOAC-VWYCJHECSA-N 2 0 284.360 -1.667 20 0 CAADRP [NH3+][C@H](C(=O)NCCCc1c[nH][nH]c1=O)C1CC[NH2+]CC1 ZINC001219969491 780284830 /nfs/dbraw/zinc/28/48/30/780284830.db2.gz BTFNGQIENUOPDC-MNOVXSKESA-N 2 0 281.360 -1.059 20 0 CAADRP COC(=O)[C@@H]1C[C@@H](NC(=O)C[C@@H]([NH3+])CCCC[NH3+])CN1 ZINC001219968084 780284992 /nfs/dbraw/zinc/28/49/92/780284992.db2.gz VFYDTRSGPREZMG-AXFHLTTASA-N 2 0 286.376 -1.148 20 0 CAADRP COC(=O)C1(NC(=O)[C@H]2C[C@@H](O)C[NH2+]2)CC[NH2+]CC1 ZINC001220001549 780287326 /nfs/dbraw/zinc/28/73/26/780287326.db2.gz SBPDRIHQEDLEKU-RKDXNWHRSA-N 2 0 271.317 -1.879 20 0 CAADRP COC(=O)C1(NC(=O)[C@H]([NH3+])C2CC[NH2+]CC2)CC[NH2+]CC1 ZINC001220001632 780287341 /nfs/dbraw/zinc/28/73/41/780287341.db2.gz TZUSHDUSPWUENF-LLVKDONJSA-N 3 0 298.387 -1.275 20 0 CAADRP COC(=O)C1(NC(=O)C[C@H](O)C[NH3+])CC[NH2+]CC1 ZINC001219999661 780287355 /nfs/dbraw/zinc/28/73/55/780287355.db2.gz ZZPJHGUIFSVJSQ-QMMMGPOBSA-N 2 0 259.306 -1.893 20 0 CAADRP Cn1c(NC(=O)[C@@H]([NH3+])CCC[NH3+])c(N=O)c(=O)[nH]c1=O ZINC001219984410 780287468 /nfs/dbraw/zinc/28/74/68/780287468.db2.gz INGGRCPHSCQBNU-YFKPBYRVSA-N 2 0 284.276 -1.112 20 0 CAADRP COC(=O)C1(NC(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3N2)CC[NH2+]CC1 ZINC001220001663 780287485 /nfs/dbraw/zinc/28/74/85/780287485.db2.gz VVAJZXYYIZVIKX-GARJFASQSA-N 2 0 296.371 -1.652 20 0 CAADRP COC(=O)C1(NC(=O)C[C@@H](O)C[NH3+])CC[NH2+]CC1 ZINC001219999660 780287539 /nfs/dbraw/zinc/28/75/39/780287539.db2.gz ZZPJHGUIFSVJSQ-MRVPVSSYSA-N 2 0 259.306 -1.893 20 0 CAADRP COC(=O)C1(NC(=O)[C@@H]([NH3+])COC(C)=O)CC[NH2+]CC1 ZINC001219999058 780288188 /nfs/dbraw/zinc/28/81/88/780288188.db2.gz JCYLGZWRXMBOCW-VIFPVBQESA-N 2 0 287.316 -1.712 20 0 CAADRP COC(=O)C1(NC(=O)[C@]2(N)CC[NH2+]C2)CC[NH2+]CC1 ZINC001220001860 780288282 /nfs/dbraw/zinc/28/82/82/780288282.db2.gz YQAHUVSPODYWMM-NSHDSACASA-N 2 0 270.333 -1.911 20 0 CAADRP CN1C[C@@H](NC(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)CCC1=O ZINC001220006806 780289481 /nfs/dbraw/zinc/28/94/81/780289481.db2.gz CVQAUZHUZXDOHC-UWVGGRQHSA-N 2 0 266.345 -1.468 20 0 CAADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)NCc1ccncn1 ZINC001220005058 780289730 /nfs/dbraw/zinc/28/97/30/780289730.db2.gz OTHFMMMIXSMHOH-LBPRGKRZSA-N 2 0 278.360 -1.157 20 0 CAADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)NCc1cncnc1 ZINC001220007139 780289769 /nfs/dbraw/zinc/28/97/69/780289769.db2.gz IYCQGMNZLXYTKY-GFCCVEGCSA-N 2 0 278.360 -1.157 20 0 CAADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)NCc1ccncn1 ZINC001220005057 780289914 /nfs/dbraw/zinc/28/99/14/780289914.db2.gz OTHFMMMIXSMHOH-GFCCVEGCSA-N 2 0 278.360 -1.157 20 0 CAADRP CN1C[C@H](NC(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)CCC1=O ZINC001220006921 780289983 /nfs/dbraw/zinc/28/99/83/780289983.db2.gz FHQJICMUZPSLQX-NEPJUHHUSA-N 2 0 297.403 -1.526 20 0 CAADRP CN1C[C@@H](NC(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)CCC1=O ZINC001220006809 780290091 /nfs/dbraw/zinc/29/00/91/780290091.db2.gz CVQAUZHUZXDOHC-VHSXEESVSA-N 2 0 266.345 -1.468 20 0 CAADRP N=c1cc(C[NH3+])ncn1C(=O)[C@@H]([NH3+])C1CC[NH2+]CC1 ZINC001220020249 780290751 /nfs/dbraw/zinc/29/07/51/780290751.db2.gz BYFPMTYDKNYKOE-NSHDSACASA-N 3 0 264.333 -1.212 20 0 CAADRP N=c1cc(C[NH3+])ncn1C(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001220020236 780291090 /nfs/dbraw/zinc/29/10/90/780291090.db2.gz BPXYZVYILLMOMP-NSHDSACASA-N 3 0 293.375 -1.788 20 0 CAADRP O=C(NC1(CO)CCOCC1)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220018857 780291274 /nfs/dbraw/zinc/29/12/74/780291274.db2.gz WRXNROAOAGYREA-SNVBAGLBSA-N 2 0 269.345 -1.547 20 0 CAADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)NC[C@@H]1CCOC1 ZINC001220020508 780291294 /nfs/dbraw/zinc/29/12/94/780291294.db2.gz LJNBVDGZRHIPFL-CMPLNLGQSA-N 2 0 270.377 -1.111 20 0 CAADRP O=C(NC1(CO)CCOCC1)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220018856 780291509 /nfs/dbraw/zinc/29/15/09/780291509.db2.gz WRXNROAOAGYREA-JTQLQIEISA-N 2 0 269.345 -1.547 20 0 CAADRP N=c1cc(C[NH3+])ncn1C(=O)[C@@]1(N)CCC[NH2+]C1 ZINC001220020368 780291826 /nfs/dbraw/zinc/29/18/26/780291826.db2.gz GMJKHKMPVYICDX-LLVKDONJSA-N 2 0 250.306 -1.458 20 0 CAADRP N=c1cc(C[NH3+])ncn1C(=O)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220020539 780292687 /nfs/dbraw/zinc/29/26/87/780292687.db2.gz MIQJNRFCTJDHLK-SECBINFHSA-N 3 0 262.317 -1.730 20 0 CAADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)NC[C@H]1CCOC1 ZINC001220020510 780292943 /nfs/dbraw/zinc/29/29/43/780292943.db2.gz LJNBVDGZRHIPFL-PWSUYJOCSA-N 2 0 270.377 -1.111 20 0 CAADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)NC1CC(=O)C1 ZINC001220020740 780293172 /nfs/dbraw/zinc/29/31/72/780293172.db2.gz UBRSSAQAPHMNEF-LLVKDONJSA-N 2 0 254.334 -1.416 20 0 CAADRP O=C(N[C@H]1CCC(=O)NC1=O)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001220027753 780293186 /nfs/dbraw/zinc/29/31/86/780293186.db2.gz CYFDAMHBDWULIT-UWVGGRQHSA-N 2 0 294.355 -1.218 20 0 CAADRP N=c1cc(C[NH3+])ncn1C(=O)CN1CC[NH2+]CC1 ZINC001220020755 780293248 /nfs/dbraw/zinc/29/32/48/780293248.db2.gz URIXRIUKACYIAG-UHFFFAOYSA-N 2 0 250.306 -1.633 20 0 CAADRP CC(C)[C@](C)(NC(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2)C(N)=O ZINC001220023244 780293427 /nfs/dbraw/zinc/29/34/27/780293427.db2.gz SGIUXSRLWXDGLX-CABZTGNLSA-N 2 0 268.361 -1.188 20 0 CAADRP N=c1cc(C[NH3+])ncn1C(=O)[C@@H]([NH3+])CSCC[NH3+] ZINC001220020825 780293506 /nfs/dbraw/zinc/29/35/06/780293506.db2.gz XGLPVVSYRSWZLY-QMMMGPOBSA-N 3 0 270.362 -1.519 20 0 CAADRP N=c1cc(C[NH3+])ncn1C(=O)[C@H]1COC2(C[NH2+]C2)CN1 ZINC001220020644 780293520 /nfs/dbraw/zinc/29/35/20/780293520.db2.gz QCXYBPIGZCYWJL-SECBINFHSA-N 2 0 278.316 -2.208 20 0 CAADRP O=C(N[C@H]1CCC(=O)NC1=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001220028523 780294043 /nfs/dbraw/zinc/29/40/43/780294043.db2.gz VVYDKVOKMDPVSA-VYUIOLGVSA-N 2 0 280.328 -1.893 20 0 CAADRP CC(C)(CNC(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2)C(N)=O ZINC001220034381 780295622 /nfs/dbraw/zinc/29/56/22/780295622.db2.gz XSJNBCZKXZWXRN-QMMMGPOBSA-N 2 0 254.334 -1.577 20 0 CAADRP CC(C)(CNC(=O)[C@H]([NH3+])C1CC[NH2+]CC1)C(N)=O ZINC001220034155 780295804 /nfs/dbraw/zinc/29/58/04/780295804.db2.gz VQEQCBXACSKAEF-SECBINFHSA-N 2 0 256.350 -1.059 20 0 CAADRP Cc1ncc(C[NH3+])c(=N)n1C(=O)[C@H]([NH3+])CCC[NH3+] ZINC001220043157 780296367 /nfs/dbraw/zinc/29/63/67/780296367.db2.gz HKNRUXCNOFFBIO-SECBINFHSA-N 3 0 252.322 -1.164 20 0 CAADRP CC(C)(CNC(=O)[C@@H]([NH3+])CSCC[NH3+])C(N)=O ZINC001220033593 780296732 /nfs/dbraw/zinc/29/67/32/780296732.db2.gz OBECWXLXULWXHI-ZETCQYMHSA-N 2 0 262.379 -1.367 20 0 CAADRP Cc1ncc(C[NH3+])c(=N)n1C(=O)[C@H]1C[NH2+]C[C@@H]1O ZINC001220043614 780297062 /nfs/dbraw/zinc/29/70/62/780297062.db2.gz ZAJRVCKAHMTBAU-IUCAKERBSA-N 2 0 251.290 -1.650 20 0 CAADRP C[NH2+]CCNC(=O)[C@@H]([NH3+])CCCNC(=O)c1cnccn1 ZINC001220051006 780297131 /nfs/dbraw/zinc/29/71/31/780297131.db2.gz BKTZYJMPNALVHJ-JTQLQIEISA-N 2 0 294.359 -1.351 20 0 CAADRP N=c1cc(C[NH3+])ccn1C(=O)[C@H]1COC2(C[NH2+]C2)CN1 ZINC001220044895 780297351 /nfs/dbraw/zinc/29/73/51/780297351.db2.gz CWSYNYPGEGGCOK-SNVBAGLBSA-N 2 0 277.328 -1.603 20 0 CAADRP N=c1cc(C[NH3+])ccn1C(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220045008 780297408 /nfs/dbraw/zinc/29/74/08/780297408.db2.gz HYEPCSFUHZWLMK-JTQLQIEISA-N 3 0 261.329 -1.125 20 0 CAADRP Cc1ncc(C[NH3+])c(=N)n1C(=O)[C@H]1[NH2+]CC[C@H]1O ZINC001220043191 780297866 /nfs/dbraw/zinc/29/78/66/780297866.db2.gz INWKGNXTAICFKZ-BDAKNGLRSA-N 2 0 251.290 -1.507 20 0 CAADRP N=c1cc(C[NH3+])ccn1C(=O)[C@@H]1COC2(C[NH2+]C2)CN1 ZINC001220044894 780298083 /nfs/dbraw/zinc/29/80/83/780298083.db2.gz CWSYNYPGEGGCOK-JTQLQIEISA-N 2 0 277.328 -1.603 20 0 CAADRP Cc1ncc(C[NH3+])c(=N)n1C(=O)[C@@]12C[NH2+]C[C@H]1CCN2 ZINC001220043491 780298094 /nfs/dbraw/zinc/29/80/94/780298094.db2.gz UNJASMKMZFIWCY-ZWNOBZJWSA-N 2 0 276.344 -1.279 20 0 CAADRP C[NH2+]CCNC(=O)[C@H]1Cn2cnnc2C12CC[NH2+]CC2 ZINC001220051323 780298482 /nfs/dbraw/zinc/29/84/82/780298482.db2.gz UYYHMBVDCFPBOV-SNVBAGLBSA-N 2 0 278.360 -1.135 20 0 CAADRP N=C(NC(=O)[C@]12C[NH2+]C[C@@H]1CCN2)SCC[NH3+] ZINC001220106047 780304858 /nfs/dbraw/zinc/30/48/58/780304858.db2.gz ABEZCMFLYUYXCK-XVKPBYJWSA-N 2 0 257.363 -1.319 20 0 CAADRP C[NH2+]CCCCNC(=O)[C@H]1COC2(C[NH2+]C2)CN1 ZINC001220077431 780300708 /nfs/dbraw/zinc/30/07/08/780300708.db2.gz JCNNIEDNOLVKSC-SNVBAGLBSA-N 2 0 256.350 -1.567 20 0 CAADRP C[S@@](=O)CC[C@H]([NH3+])C(=O)NC(=N)SCC[NH3+] ZINC001220106421 780301005 /nfs/dbraw/zinc/30/10/05/780301005.db2.gz MMQAGPUUYFBAAU-XABCROFNSA-N 2 0 266.392 -1.175 20 0 CAADRP C[NH2+]CCCCNC(=O)[C@H](C)NC(=O)[C@@H]([NH3+])CO ZINC001220079244 780301016 /nfs/dbraw/zinc/30/10/16/780301016.db2.gz CVPLFHKOPFIQPR-IUCAKERBSA-N 2 0 260.338 -2.074 20 0 CAADRP C[C@@H](O)[C@H]1C(=O)N[C@@H]1[C@@H](C)C(=O)N(CCCC[NH3+])C(N)=[NH2+] ZINC001220103097 780302051 /nfs/dbraw/zinc/30/20/51/780302051.db2.gz GILKNXJSYGNGDE-ZYUZMQFOSA-N 2 0 299.375 -1.421 20 0 CAADRP NC(=[NH2+])N(CCCC[NH3+])C(=O)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220101459 780302174 /nfs/dbraw/zinc/30/21/74/780302174.db2.gz OPFYDKGFVKYJLF-SECBINFHSA-N 4 0 268.365 -1.744 20 0 CAADRP C[S@@](=O)CC[C@H](N)C(=O)N(CCCC[NH3+])C(N)=[NH2+] ZINC001220103336 780302752 /nfs/dbraw/zinc/30/27/52/780302752.db2.gz ONUTXRBUINJRFS-DCXZOGHSSA-N 2 0 277.394 -1.457 20 0 CAADRP NC(=[NH2+])N(CCCC[NH3+])C(=O)C[C@H]1COCC[NH2+]1 ZINC001220103394 780302771 /nfs/dbraw/zinc/30/27/71/780302771.db2.gz QPVDNCCGDXMRRK-VIFPVBQESA-N 3 0 257.338 -1.174 20 0 CAADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)N[C@@H]1CCC[C@@H]1O ZINC001220099272 780302931 /nfs/dbraw/zinc/30/29/31/780302931.db2.gz IHJPAQSWSTWPRF-UTUOFQBUSA-N 2 0 270.377 -1.234 20 0 CAADRP NC(=[NH2+])N(CCCC[NH3+])C(=O)C[C@@H]1COCC[NH2+]1 ZINC001220103393 780302944 /nfs/dbraw/zinc/30/29/44/780302944.db2.gz QPVDNCCGDXMRRK-SECBINFHSA-N 3 0 257.338 -1.174 20 0 CAADRP NC(=[NH2+])N(CCCC[NH3+])C(=O)[C@]1(N)CCC[NH2+]C1 ZINC001220103569 780302956 /nfs/dbraw/zinc/30/29/56/780302956.db2.gz WXSWRSMIEBICTG-NSHDSACASA-N 3 0 256.354 -1.472 20 0 CAADRP NC(=[NH2+])N(CCCC[NH3+])C(=O)[C@@H]1COC2(C[NH2+]C2)CN1 ZINC001220101716 780303005 /nfs/dbraw/zinc/30/30/05/780303005.db2.gz ZCOJGWCQPQPACG-VIFPVBQESA-N 3 0 284.364 -2.222 20 0 CAADRP N=C(NC(=O)[C@@H]1COC2(C[NH2+]C2)CN1)SCC[NH3+] ZINC001220106539 780304791 /nfs/dbraw/zinc/30/47/91/780304791.db2.gz RBEKQNYQZRJORC-ZETCQYMHSA-N 2 0 273.362 -1.940 20 0 CAADRP N=C(NC(=O)[C@@]12C[NH2+]C[C@@H]1CCN2)SCC[NH3+] ZINC001220106045 780304877 /nfs/dbraw/zinc/30/48/77/780304877.db2.gz ABEZCMFLYUYXCK-OIBJUYFYSA-N 2 0 257.363 -1.319 20 0 CAADRP CCC(CO)(CO)NC(=O)[C@H]([NH3+])C1CC[NH2+]CC1 ZINC001220110237 780305886 /nfs/dbraw/zinc/30/58/86/780305886.db2.gz ZPWMPDKRLZOVPD-SNVBAGLBSA-N 2 0 259.350 -1.437 20 0 CAADRP CCC(CO)(CO)NC(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220109645 780306136 /nfs/dbraw/zinc/30/61/36/780306136.db2.gz HVMUHGZHLPCVGZ-VIFPVBQESA-N 2 0 257.334 -1.955 20 0 CAADRP CS(=O)(=O)[C@H]1C[C@H](NC(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)C1 ZINC001220139793 780309676 /nfs/dbraw/zinc/30/96/76/780309676.db2.gz WSJDBNMQEKJBLJ-GUBZILKMSA-N 2 0 287.385 -1.513 20 0 CAADRP CO[C@@H]1COCC[C@H]1NC(=O)[C@@H]([NH3+])CSCC[NH3+] ZINC001220140972 780309701 /nfs/dbraw/zinc/30/97/01/780309701.db2.gz DJAJOJRSWKGQPG-IVZWLZJFSA-N 2 0 277.390 -1.074 20 0 CAADRP [NH3+]CCC[C@H]([NH3+])C(=O)NC1CC2(C1)CS(=O)(=O)C2 ZINC001220143577 780311024 /nfs/dbraw/zinc/31/10/24/780311024.db2.gz NMOFTOFOFNQSHT-VIFPVBQESA-N 2 0 275.374 -1.254 20 0 CAADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)NC1CN(S(C)(=O)=O)C1 ZINC001220145631 780311390 /nfs/dbraw/zinc/31/13/90/780311390.db2.gz JLMHKOOFKMBURY-JTQLQIEISA-N 2 0 292.405 -1.537 20 0 CAADRP [NH3+][C@H](C(=O)NC1CC(CO)(CO)C1)C1CC[NH2+]CC1 ZINC001220151936 780312102 /nfs/dbraw/zinc/31/21/02/780312102.db2.gz NIEUAFNSMCIDON-NSHDSACASA-N 2 0 271.361 -1.437 20 0 CAADRP C[C@@]1(O)C[C@H](NC(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)C1 ZINC001220150013 780312549 /nfs/dbraw/zinc/31/25/49/780312549.db2.gz MYIOYAHMERQUKM-WZRBSPASSA-N 2 0 270.377 -1.234 20 0 CAADRP [NH3+]CCSC[C@H]([NH3+])C(=O)NC1CC(CO)(CO)C1 ZINC001220151975 780312834 /nfs/dbraw/zinc/31/28/34/780312834.db2.gz PDAJWUCVPLFZKP-VIFPVBQESA-N 2 0 277.390 -1.745 20 0 CAADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)N[C@H]1C[C@H](O)C1 ZINC001220156729 780313450 /nfs/dbraw/zinc/31/34/50/780313450.db2.gz HZVYJMDMGBAZPV-DCAQKATOSA-N 2 0 256.350 -1.624 20 0 CAADRP CC(C)C[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)NC1(C[NH3+])COC1 ZINC001220154060 780313709 /nfs/dbraw/zinc/31/37/09/780313709.db2.gz JHSICPYOLFKSJX-UWVGGRQHSA-N 2 0 286.376 -1.292 20 0 CAADRP C[N@@H+]1CCC[C@H](NC(=O)[C@@H](N)CN2CCC([NH3+])CC2)C1 ZINC001220159990 780313721 /nfs/dbraw/zinc/31/37/21/780313721.db2.gz UEKDQYAFLJXOQB-STQMWFEESA-N 2 0 283.420 -1.053 20 0 CAADRP [NH3+]CC1(NC(=O)[C@@H]2C[C@@H]3CC[NH2+]C[C@H]3O2)COC1 ZINC001220153986 780313875 /nfs/dbraw/zinc/31/38/75/780313875.db2.gz GURKJWIXVAKDNS-LPEHRKFASA-N 2 0 255.318 -1.403 20 0 CAADRP C[N@@H+]1CCC[C@H](NC(=O)[C@H]2COC3(C[NH2+]C3)CN2)C1 ZINC001220156902 780314050 /nfs/dbraw/zinc/31/40/50/780314050.db2.gz PJUZMMZBAPWLIP-WDEREUQCSA-N 2 0 268.361 -1.473 20 0 CAADRP C[NH+](C)CCCC[C@H]([NH3+])C(=O)NC1(C[NH3+])COC1 ZINC001220153937 780314094 /nfs/dbraw/zinc/31/40/94/780314094.db2.gz FACYCYOKOALHEE-JTQLQIEISA-N 3 0 258.366 -1.111 20 0 CAADRP NC(=O)NCCC[C@@H]([NH3+])C(=O)NC1(C[NH3+])COC1 ZINC001220154722 780314505 /nfs/dbraw/zinc/31/45/05/780314505.db2.gz XZSOSFOMEQKENB-SSDOTTSWSA-N 2 0 259.310 -2.394 20 0 CAADRP C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2COC3(C[NH2+]C3)CN2)C1 ZINC001220156901 780314518 /nfs/dbraw/zinc/31/45/18/780314518.db2.gz PJUZMMZBAPWLIP-QWRGUYRKSA-N 2 0 268.361 -1.473 20 0 CAADRP [NH3+]CCC[C@@H]([NH3+])C(=O)N[C@@H]1COCCC12OCCO2 ZINC001220170795 780315882 /nfs/dbraw/zinc/31/58/82/780315882.db2.gz VAWAHZIUIJSNLU-NXEZZACHSA-N 2 0 273.333 -1.299 20 0 CAADRP O=C(N[C@@H]1COCCC12OCCO2)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220173040 780315925 /nfs/dbraw/zinc/31/59/25/780315925.db2.gz HBUQMJFWBVTKKK-WDEREUQCSA-N 2 0 297.355 -1.556 20 0 CAADRP [NH3+][C@H](C(=O)N[C@@H]1COCCC12OCCO2)C1CC[NH2+]CC1 ZINC001220173274 780316017 /nfs/dbraw/zinc/31/60/17/780316017.db2.gz MBLNQAYNLPNWLF-NEPJUHHUSA-N 2 0 299.371 -1.039 20 0 CAADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)NC1(CCO)COC1 ZINC001220173028 780316305 /nfs/dbraw/zinc/31/63/05/780316305.db2.gz HAPHYECIXIIUMG-LLVKDONJSA-N 2 0 286.376 -1.996 20 0 CAADRP O=C(N[C@H]1COCC[C@@H]1O)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220181659 780316804 /nfs/dbraw/zinc/31/68/04/780316804.db2.gz XQVIPYGGFGZPMN-UTLUCORTSA-N 2 0 255.318 -1.939 20 0 CAADRP Cn1ccc(CNC(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)cc1=O ZINC001220178975 780317014 /nfs/dbraw/zinc/31/70/14/780317014.db2.gz CAXOGWXSHKFLSU-NSHDSACASA-N 2 0 276.340 -1.190 20 0 CAADRP [NH3+][C@@H](C(=O)N[C@H]1COCC[C@@H]1O)C1CC[NH2+]CC1 ZINC001220181484 780317492 /nfs/dbraw/zinc/31/74/92/780317492.db2.gz QGXCNMWSYZEWJP-GARJFASQSA-N 2 0 257.334 -1.421 20 0 CAADRP COc1ccnc(C(=N)NC(=O)[C@@H]([NH3+])CCC[NH3+])n1 ZINC001220183355 780319035 /nfs/dbraw/zinc/31/90/35/780319035.db2.gz MMWKRNGBXDRAFH-ZETCQYMHSA-N 2 0 266.305 -1.007 20 0 CAADRP COc1ccnc(C(=N)NC(=O)[C@@H]([NH3+])CSCC[NH3+])n1 ZINC001220183305 780319140 /nfs/dbraw/zinc/31/91/40/780319140.db2.gz LFNYPVXJUDNDKF-ZETCQYMHSA-N 2 0 298.372 -1.054 20 0 CAADRP COc1ccnc(C(=N)NC(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)n1 ZINC001220183826 780319306 /nfs/dbraw/zinc/31/93/06/780319306.db2.gz ZOKMQCPAFWEENU-MRVPVSSYSA-N 2 0 290.327 -1.264 20 0 CAADRP C[S@@](=O)CC[C@H]([NH3+])C(=O)NC[C@@H]1COCC[NH2+]1 ZINC001220429410 780348819 /nfs/dbraw/zinc/34/88/19/780348819.db2.gz RBMICCSTNZRHME-KSRUKNBBSA-N 2 0 263.363 -1.813 20 0 CAADRP C[NH+](C)CC1(C(=O)N[C@@H]2CN(CCO)C[C@@H]2O)CC1 ZINC001220227565 780322402 /nfs/dbraw/zinc/32/24/02/780322402.db2.gz UWZUKTZJUMFIOF-MNOVXSKESA-N 2 0 271.361 -1.518 20 0 CAADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)NCCc1cnccn1 ZINC001220242782 780323660 /nfs/dbraw/zinc/32/36/60/780323660.db2.gz HVTBKZZJBCPPEY-CYBMUJFWSA-N 2 0 292.387 -1.114 20 0 CAADRP CN1C[C@@H](CNC(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)CC1=O ZINC001220245250 780325325 /nfs/dbraw/zinc/32/53/25/780325325.db2.gz LRQQUUITIYSEDN-ZJUUUORDSA-N 2 0 266.345 -1.610 20 0 CAADRP CN1C[C@@H](CNC(=O)[C@@H]([NH3+])C2CC[NH2+]CC2)CC1=O ZINC001220245409 780325570 /nfs/dbraw/zinc/32/55/70/780325570.db2.gz QOBHJGMZTRDZJH-SKDRFNHKSA-N 2 0 268.361 -1.092 20 0 CAADRP CN1C[C@@H](CNC(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)CC1=O ZINC001220245155 780325574 /nfs/dbraw/zinc/32/55/74/780325574.db2.gz ICZYXONICZHBIF-JTNHKYCSSA-N 2 0 280.372 -1.220 20 0 CAADRP CN1C[C@@H](CNC(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)CC1=O ZINC001220245005 780325588 /nfs/dbraw/zinc/32/55/88/780325588.db2.gz CICMFKWLPUZEDQ-PWSUYJOCSA-N 2 0 297.403 -1.669 20 0 CAADRP C[N@@H+]1CCC[C@H]1CCNC(=O)[C@@H]1COC2(C[NH2+]C2)CN1 ZINC001220252062 780327064 /nfs/dbraw/zinc/32/70/64/780327064.db2.gz NDJNSZHSIBTLLB-RYUDHWBXSA-N 2 0 282.388 -1.083 20 0 CAADRP CN(C)S(=O)(=O)CCNC(=O)[C@@H]([NH3+])C1CC[NH2+]CC1 ZINC001220268374 780328090 /nfs/dbraw/zinc/32/80/90/780328090.db2.gz GADTVLBDOGPATL-JTQLQIEISA-N 2 0 292.405 -1.679 20 0 CAADRP CN(C)S(=O)(=O)CCNC(=O)[C@H]([NH3+])CCC[NH3+] ZINC001220269209 780328272 /nfs/dbraw/zinc/32/82/72/780328272.db2.gz XIGJZKLCJQBVIU-MRVPVSSYSA-N 2 0 266.367 -1.940 20 0 CAADRP [NH3+]CCN(C(=O)[C@H]1C[NH2+]C[C@@H]1O)c1cccnc1 ZINC001220263780 780328349 /nfs/dbraw/zinc/32/83/49/780328349.db2.gz XMLDOFXIZQYULT-QWRGUYRKSA-N 2 0 250.302 -1.046 20 0 CAADRP CN(C)S(=O)(=O)CCNC(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220268695 780328738 /nfs/dbraw/zinc/32/87/38/780328738.db2.gz OYMQTBNOIGSWBJ-VIFPVBQESA-N 2 0 290.389 -2.197 20 0 CAADRP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC001220282414 780329312 /nfs/dbraw/zinc/32/93/12/780329312.db2.gz JXHVWERJIBOPKQ-FXQIFTODSA-N 2 0 271.321 -2.828 20 0 CAADRP C[C@H]([NH3+])C(=O)N1[C@H](C(=O)N[C@H]2CC[NH2+]C2)COC1(C)C ZINC001220283569 780329422 /nfs/dbraw/zinc/32/94/22/780329422.db2.gz YLPPKBXVWBNKIH-GUBZILKMSA-N 2 0 284.360 -1.225 20 0 CAADRP C[C@@H](O)C[N@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001220277320 780330293 /nfs/dbraw/zinc/33/02/93/780330293.db2.gz VWNMJLUHVFPREX-MXWKQRLJSA-N 2 0 259.350 -1.520 20 0 CAADRP [NH3+]C[C@H](O)CC(=O)N[C@@H]1CO[C@]2(C1)CCC[NH2+]C2 ZINC001220315736 780331570 /nfs/dbraw/zinc/33/15/70/780331570.db2.gz HSCXPMRRGFDUBJ-UMNHJUIQSA-N 2 0 257.334 -1.277 20 0 CAADRP O=C(N[C@@H](CO)Cc1c[nH]cn1)[C@H]1[NH2+]CC[C@H]1O ZINC001220291791 780331597 /nfs/dbraw/zinc/33/15/97/780331597.db2.gz XTWMGCDWZTVTBQ-BBBLOLIVSA-N 2 0 254.290 -1.848 20 0 CAADRP O=C(N[C@@H](CO)Cc1c[nH]cn1)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001220291921 780331648 /nfs/dbraw/zinc/33/16/48/780331648.db2.gz YKWWPQOQMTZAAA-MPKXVKKWSA-N 3 0 293.371 -1.372 20 0 CAADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)NCC1OCCO1 ZINC001220288817 780332000 /nfs/dbraw/zinc/33/20/00/780332000.db2.gz JBWMBNQTPXSMLL-SNVBAGLBSA-N 2 0 272.349 -1.774 20 0 CAADRP [NH3+]CCSC[C@H]([NH3+])C(=O)NC[C@H]1CNC(=O)CO1 ZINC001220316386 780332044 /nfs/dbraw/zinc/33/20/44/780332044.db2.gz OVSZDLWQKHMVMJ-SFYZADRCSA-N 2 0 276.362 -2.363 20 0 CAADRP N[C@@]1(C(=O)N[C@@H](CO)Cc2c[nH]cn2)CC[NH2+]C1 ZINC001220291360 780332487 /nfs/dbraw/zinc/33/24/87/780332487.db2.gz RTOOWZUVKHITAT-KOLCDFICSA-N 2 0 253.306 -1.880 20 0 CAADRP C[N@@H+]1CCCN(CCNC(=O)[C@@]2(N)CC[NH2+]C2)CC1 ZINC001220306278 780333107 /nfs/dbraw/zinc/33/31/07/780333107.db2.gz HQBJQRGSZLGSMC-CYBMUJFWSA-N 2 0 269.393 -1.569 20 0 CAADRP [NH3+][C@@H]1CN[C@H](C(=O)NCc2ncn3c2C[NH2+]CCC3)C1 ZINC001220312674 780333400 /nfs/dbraw/zinc/33/34/00/780333400.db2.gz BAMQZIDNAYYZPZ-UWVGGRQHSA-N 2 0 278.360 -1.318 20 0 CAADRP C[N@@H+]1CCCN(CCNC(=O)[C@@H]2C[NH2+]C[C@@H]2O)CC1 ZINC001220306221 780333412 /nfs/dbraw/zinc/33/34/12/780333412.db2.gz FCFHKVKXGPQPMY-NEPJUHHUSA-N 2 0 270.377 -1.680 20 0 CAADRP C[N@@H+]1CCCN(CCNC(=O)[C@@H]2C[C@@H]([NH3+])CN2)CC1 ZINC001220307221 780333445 /nfs/dbraw/zinc/33/34/45/780333445.db2.gz VONILXBEWDFYKS-NEPJUHHUSA-N 2 0 269.393 -1.571 20 0 CAADRP C[N@@H+]1CCCN(CCNC(=O)[C@]2(N)CCC[NH2+]C2)CC1 ZINC001220306865 780333473 /nfs/dbraw/zinc/33/34/73/780333473.db2.gz PXTMCPFHSSMBEU-AWEZNQCLSA-N 2 0 283.420 -1.179 20 0 CAADRP O=C(NCc1ncn2c1C[NH2+]CCC2)[C@H]1C[NH2+]CCN1 ZINC001220311684 780333604 /nfs/dbraw/zinc/33/36/04/780333604.db2.gz POWTYCCPEANYRT-LLVKDONJSA-N 2 0 278.360 -1.446 20 0 CAADRP C[N@@H+]1CCCN(CCNC(=O)[C@H]2C[NH2+]C[C@@H]2O)CC1 ZINC001220306223 780333701 /nfs/dbraw/zinc/33/37/01/780333701.db2.gz FCFHKVKXGPQPMY-RYUDHWBXSA-N 2 0 270.377 -1.680 20 0 CAADRP N[C@H]1C[NH2+]C[C@@H]1C(=O)NCc1ncn2c1C[NH2+]CCC2 ZINC001220313622 780333717 /nfs/dbraw/zinc/33/37/17/780333717.db2.gz RNBIXSWGURENKG-UWVGGRQHSA-N 2 0 278.360 -1.461 20 0 CAADRP O=C(N[C@@H]1CO[C@@]2(C1)CCC[NH2+]C2)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220315388 780333774 /nfs/dbraw/zinc/33/37/74/780333774.db2.gz CCRRWYWJHPCPAB-SLEUVZQESA-N 3 0 294.399 -1.177 20 0 CAADRP C[N@@H+]1CCCN(CCNC(=O)[C@H]2C[NH2+]C[C@H]2O)CC1 ZINC001220306222 780333789 /nfs/dbraw/zinc/33/37/89/780333789.db2.gz FCFHKVKXGPQPMY-NWDGAFQWSA-N 2 0 270.377 -1.680 20 0 CAADRP [NH3+]C[C@H](O)CC(=O)NCc1ncn2c1C[NH2+]CCC2 ZINC001220310441 780333901 /nfs/dbraw/zinc/33/39/01/780333901.db2.gz AOQFPTREKJDIGO-SECBINFHSA-N 2 0 267.333 -1.298 20 0 CAADRP O=C(N[C@@H]1CO[C@@]2(C1)CCC[NH2+]C2)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220315390 780333917 /nfs/dbraw/zinc/33/39/17/780333917.db2.gz CCRRWYWJHPCPAB-YWPYICTPSA-N 3 0 294.399 -1.177 20 0 CAADRP C[N@@H+]1CCCN(CCNC(=O)[C@H]2[NH2+]CC[C@H]2O)CC1 ZINC001220307189 780334057 /nfs/dbraw/zinc/33/40/57/780334057.db2.gz UDDWFTLUMCVCMC-NEPJUHHUSA-N 2 0 270.377 -1.537 20 0 CAADRP C[N@@H+]1CCCN(CCNC(=O)[C@@]2(N)CCC[NH2+]C2)CC1 ZINC001220306866 780334227 /nfs/dbraw/zinc/33/42/27/780334227.db2.gz PXTMCPFHSSMBEU-CQSZACIVSA-N 2 0 283.420 -1.179 20 0 CAADRP O=C(CN1CC[NH2+]CC1)NCc1ncn2c1C[NH2+]CCC2 ZINC001220312153 780334260 /nfs/dbraw/zinc/33/42/60/780334260.db2.gz YLIJAITUSVRKJM-UHFFFAOYSA-N 2 0 292.387 -1.102 20 0 CAADRP C[NH+](C)CCCC[C@H]([NH3+])C(=O)NC[C@@H]1CNC(=O)CO1 ZINC001220315666 780335542 /nfs/dbraw/zinc/33/55/42/780335542.db2.gz GTGYVOLUHSABOS-QWRGUYRKSA-N 2 0 286.376 -1.323 20 0 CAADRP CC(=O)OC[C@H]([NH3+])C(=O)N[C@@H]1CO[C@@]2(C1)CCC[NH2+]C2 ZINC001220316475 780335654 /nfs/dbraw/zinc/33/56/54/780335654.db2.gz PUKVLDAYMPNNEN-GMXVVIOVSA-N 2 0 285.344 -1.096 20 0 CAADRP O=C(CN1CC[NH2+]CC1)N[C@@H]1CO[C@@]2(C1)CCC[NH2+]C2 ZINC001220315964 780335707 /nfs/dbraw/zinc/33/57/07/780335707.db2.gz KYEUDWBFMPRROL-GXTWGEPZSA-N 2 0 282.388 -1.081 20 0 CAADRP [NH3+][C@@H]1CN[C@H](C(=O)N[C@@H]2CO[C@]3(C2)CCC[NH2+]C3)C1 ZINC001220320778 780336080 /nfs/dbraw/zinc/33/60/80/780336080.db2.gz PHGARHDRAUHMOF-ZPFDUUQYSA-N 2 0 268.361 -1.297 20 0 CAADRP [NH3+]CCC[NH2+]CC(=O)N[C@@H]1CO[C@]2(C1)CCC[NH2+]C2 ZINC001220319755 780336192 /nfs/dbraw/zinc/33/61/92/780336192.db2.gz JHSWZOKHEJSFMO-AAEUAGOBSA-N 3 0 270.377 -1.048 20 0 CAADRP O=C(N[C@@H]1CO[C@@]2(C1)CCC[NH2+]C2)[C@@H]1C[C@H](O)C[NH2+]1 ZINC001220317093 780336228 /nfs/dbraw/zinc/33/62/28/780336228.db2.gz VTXIDXMHBUCFCU-MRBYEJRBSA-N 2 0 269.345 -1.264 20 0 CAADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)NC[C@H]1CNC(=O)CO1 ZINC001220317251 780336243 /nfs/dbraw/zinc/33/62/43/780336243.db2.gz XBOWXCZGFAKZLH-MNOVXSKESA-N 2 0 299.375 -2.632 20 0 CAADRP [NH3+]CCCC[C@H]([NH3+])CC(=O)NC[C@H]1CNC(=O)CO1 ZINC001220317554 780336296 /nfs/dbraw/zinc/33/62/96/780336296.db2.gz ZXOCNEVRBTZSBV-UWVGGRQHSA-N 2 0 272.349 -1.536 20 0 CAADRP [NH3+]CCC[NH2+]CC(=O)N[C@H]1CO[C@@]2(C1)CCC[NH2+]C2 ZINC001220319758 780336417 /nfs/dbraw/zinc/33/64/17/780336417.db2.gz JHSWZOKHEJSFMO-DGCLKSJQSA-N 3 0 270.377 -1.048 20 0 CAADRP O=C(N[C@H]1CO[C@]2(C1)CCC[NH2+]C2)[C@@H]1C[C@H](O)C[NH2+]1 ZINC001220317091 780336521 /nfs/dbraw/zinc/33/65/21/780336521.db2.gz VTXIDXMHBUCFCU-BLFANLJRSA-N 2 0 269.345 -1.264 20 0 CAADRP O=C(N[C@@H]1CO[C@@]2(C1)CCC[NH2+]C2)[C@H]1[NH2+]CC[C@@H]1O ZINC001220318897 780336527 /nfs/dbraw/zinc/33/65/27/780336527.db2.gz BNUYCSSTXVPKSY-MRBYEJRBSA-N 2 0 269.345 -1.264 20 0 CAADRP [NH3+][C@@H]1CN[C@H](C(=O)N[C@H]2CO[C@]3(C2)CCC[NH2+]C3)C1 ZINC001220320775 780336596 /nfs/dbraw/zinc/33/65/96/780336596.db2.gz PHGARHDRAUHMOF-NOHGZBONSA-N 2 0 268.361 -1.297 20 0 CAADRP O=C(N[C@@H]1CO[C@@]2(C1)CCC[NH2+]C2)[C@]12C[NH2+]C[C@@H]1CCN2 ZINC001220317114 780336627 /nfs/dbraw/zinc/33/66/27/780336627.db2.gz VWPZRLMFNNQTPH-VIRABCJISA-N 2 0 294.399 -1.035 20 0 CAADRP O=C(N[C@@H]1CO[C@]2(C1)CCC[NH2+]C2)[C@H]1[NH2+]CC[C@@H]1O ZINC001220318900 780336749 /nfs/dbraw/zinc/33/67/49/780336749.db2.gz BNUYCSSTXVPKSY-ZPFDUUQYSA-N 2 0 269.345 -1.264 20 0 CAADRP N[C@]1(C(=O)N[C@@H]2CO[C@@]3(C2)CCC[NH2+]C3)CC[NH2+]C1 ZINC001220319744 780336752 /nfs/dbraw/zinc/33/67/52/780336752.db2.gz JCRRLQXNVLMNHN-CYZMBNFOSA-N 2 0 268.361 -1.296 20 0 CAADRP [NH3+]CCNCC(=O)N[C@H]1CO[C@@]2(C1)CCC[NH2+]C2 ZINC001220319286 780336754 /nfs/dbraw/zinc/33/67/54/780336754.db2.gz FNKBGMTWYDLGSC-ZYHUDNBSSA-N 2 0 256.350 -1.438 20 0 CAADRP N[C@]1(C(=O)N[C@@H]2CO[C@]3(C2)CCC[NH2+]C3)CC[NH2+]C1 ZINC001220319747 780336763 /nfs/dbraw/zinc/33/67/63/780336763.db2.gz JCRRLQXNVLMNHN-WCFLWFBJSA-N 2 0 268.361 -1.296 20 0 CAADRP O=C(N[C@H]1CO[C@]2(C1)CCC[NH2+]C2)[C@H]1C[NH2+]CCN1 ZINC001220320833 780336773 /nfs/dbraw/zinc/33/67/73/780336773.db2.gz QDPYPWFATOEMRQ-WZRBSPASSA-N 2 0 268.361 -1.425 20 0 CAADRP O=C(NC[C@H]1CNC(=O)CO1)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220317204 780336777 /nfs/dbraw/zinc/33/67/77/780336777.db2.gz WVBXOGSQYDHGMW-BDAKNGLRSA-N 2 0 268.317 -2.573 20 0 CAADRP CC(=O)OC[C@H]([NH3+])C(=O)N[C@H]1CO[C@]2(C1)CCC[NH2+]C2 ZINC001220316479 780336803 /nfs/dbraw/zinc/33/68/03/780336803.db2.gz PUKVLDAYMPNNEN-MDZLAQPJSA-N 2 0 285.344 -1.096 20 0 CAADRP N[C@H]1C[NH2+]C[C@@H]1C(=O)N[C@@H]1CO[C@@]2(C1)CCC[NH2+]C2 ZINC001220319101 780336810 /nfs/dbraw/zinc/33/68/10/780336810.db2.gz CWYOYRMRXXQIDM-MRBYEJRBSA-N 2 0 268.361 -1.440 20 0 CAADRP O=C(N[C@@H]1CO[C@]2(C1)CCC[NH2+]C2)[C@H]1[NH2+]CC[C@H]1O ZINC001220318898 780336829 /nfs/dbraw/zinc/33/68/29/780336829.db2.gz BNUYCSSTXVPKSY-NOHGZBONSA-N 2 0 269.345 -1.264 20 0 CAADRP O=C(N[C@@H]1CO[C@]2(C1)CCC[NH2+]C2)[C@H]1C[C@@H](O)C[NH2+]1 ZINC001220317097 780336847 /nfs/dbraw/zinc/33/68/47/780336847.db2.gz VTXIDXMHBUCFCU-WGBDABJCSA-N 2 0 269.345 -1.264 20 0 CAADRP O=C(N[C@H]1CO[C@]2(C1)CCC[NH2+]C2)[C@H]1C[C@@H](O)C[NH2+]1 ZINC001220317096 780336890 /nfs/dbraw/zinc/33/68/90/780336890.db2.gz VTXIDXMHBUCFCU-UZWSLXQKSA-N 2 0 269.345 -1.264 20 0 CAADRP O=C(N[C@@H]1CO[C@@]2(C1)CCC[NH2+]C2)[C@@H]1C[NH2+]CCN1 ZINC001220320827 780336902 /nfs/dbraw/zinc/33/69/02/780336902.db2.gz QDPYPWFATOEMRQ-GMXVVIOVSA-N 2 0 268.361 -1.425 20 0 CAADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)NC[C@@H]1CNC(=O)CO1 ZINC001220317134 780336928 /nfs/dbraw/zinc/33/69/28/780336928.db2.gz WGDAIWLILOLVPC-UWVGGRQHSA-N 2 0 272.349 -1.665 20 0 CAADRP NC(=O)[C@H](CO)NC(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001220329165 780337665 /nfs/dbraw/zinc/33/76/65/780337665.db2.gz IBZOAPRHDRFUMD-VHSKPIJISA-N 2 0 256.306 -2.852 20 0 CAADRP Cc1cc(NC(=O)[C@@H]([NH3+])CCC[NH3+])n(N)c(=O)c1 ZINC001220323887 780337689 /nfs/dbraw/zinc/33/76/89/780337689.db2.gz PXFBBXBTPMVFIX-QMMMGPOBSA-N 2 0 253.306 -1.125 20 0 CAADRP NC(=O)[C@@H](CO)NC(=O)[C@@H]([NH3+])CSCC[NH3+] ZINC001220328850 780337929 /nfs/dbraw/zinc/33/79/29/780337929.db2.gz CYQCCJBQTQVFFA-NTSWFWBYSA-N 2 0 250.324 -3.032 20 0 CAADRP CCOC(=O)C1(NC(=O)[C@@H]2C[NH2+]C[C@@H]2O)CC[NH+](C)CC1 ZINC001220345378 780339152 /nfs/dbraw/zinc/33/91/52/780339152.db2.gz HRQHXZVFOVPMFH-MNOVXSKESA-N 2 0 299.371 -1.290 20 0 CAADRP COc1ccc(CNC(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)nn1 ZINC001220343408 780339595 /nfs/dbraw/zinc/33/95/95/780339595.db2.gz NFMYTLHFQKQNPG-SNVBAGLBSA-N 2 0 277.328 -1.090 20 0 CAADRP CCOC(=O)C1(NC(=O)CNCC[NH3+])CC[NH+](C)CC1 ZINC001220345655 780340644 /nfs/dbraw/zinc/34/06/44/780340644.db2.gz LFSZRTASSVIYCL-UHFFFAOYSA-N 2 0 286.376 -1.322 20 0 CAADRP CCOC(=O)C1(NC(=O)[C@@H](N)CC[NH3+])CC[NH+](C)CC1 ZINC001220345598 780340371 /nfs/dbraw/zinc/34/03/71/780340371.db2.gz JSRJMPCKJBRJAW-JTQLQIEISA-N 2 0 286.376 -1.194 20 0 CAADRP CCOC(=O)C1(NC(=O)[C@H]2C[NH2+]C[C@H]2O)CC[NH+](C)CC1 ZINC001220345381 780340554 /nfs/dbraw/zinc/34/05/54/780340554.db2.gz HRQHXZVFOVPMFH-WDEREUQCSA-N 2 0 299.371 -1.290 20 0 CAADRP CCOC(=O)C1(NC(=O)[C@@]2(N)CC[NH2+]C2)CC[NH+](C)CC1 ZINC001220345705 780340588 /nfs/dbraw/zinc/34/05/88/780340588.db2.gz MPJQFLZINCYBKJ-CYBMUJFWSA-N 2 0 298.387 -1.179 20 0 CAADRP COC(=O)c1n[nH]cc1NC(=O)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220373598 780341673 /nfs/dbraw/zinc/34/16/73/780341673.db2.gz TZHTYZNZMFVORP-SSDOTTSWSA-N 2 0 279.300 -1.056 20 0 CAADRP CCOC(=O)C1(NC(=O)[C@@H]2C[C@H](O)C[NH2+]2)CC[NH+](C)CC1 ZINC001220345748 780341893 /nfs/dbraw/zinc/34/18/93/780341893.db2.gz NTSHUBNGYRUCGQ-QWRGUYRKSA-N 2 0 299.371 -1.147 20 0 CAADRP CN1CCOC[C@@H]1CNC(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001220382022 780342785 /nfs/dbraw/zinc/34/27/85/780342785.db2.gz PTARMWNEYBUCJA-MBNYWOFBSA-N 2 0 282.388 -1.368 20 0 CAADRP CN1CCOC[C@@H]1CNC(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001220380790 780342866 /nfs/dbraw/zinc/34/28/66/780342866.db2.gz CLKHZNXFVFJVSQ-QWHCGFSZSA-N 2 0 299.419 -1.816 20 0 CAADRP CN1CCOC[C@H]1CNC(=O)[C@@H]([NH3+])CSCC[NH3+] ZINC001220380611 780343029 /nfs/dbraw/zinc/34/30/29/780343029.db2.gz AJISEKFRVOXOFS-ZJUUUORDSA-N 2 0 276.406 -1.548 20 0 CAADRP C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)NC(C)(C)CC[NH+](C)C ZINC001220386426 780343176 /nfs/dbraw/zinc/34/31/76/780343176.db2.gz SUCRNZKUVQEERH-UWVGGRQHSA-N 2 0 288.392 -1.343 20 0 CAADRP CN1CCOC[C@H]1CNC(=O)[C@H]([NH3+])C1CC[NH2+]CC1 ZINC001220382405 780343497 /nfs/dbraw/zinc/34/34/97/780343497.db2.gz WHAWCFCJKPSPRB-VXGBXAGGSA-N 2 0 270.377 -1.240 20 0 CAADRP CO[C@@H](C)CNC(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001220393094 780344272 /nfs/dbraw/zinc/34/42/72/780344272.db2.gz QJGRZQJDOMRWSC-ONGXEEELSA-N 2 0 258.366 -1.112 20 0 CAADRP Cn1c(=O)cc(NC(=O)[C@H]([NH3+])CCC[NH3+])[nH]c1=O ZINC001220424856 780346020 /nfs/dbraw/zinc/34/60/20/780346020.db2.gz WOKQTDXXJUBOBU-ZCFIWIBFSA-N 2 0 255.278 -1.509 20 0 CAADRP Cn1c(=O)cc(NC(=O)[C@@H]([NH3+])CCCC[NH3+])[nH]c1=O ZINC001220424686 780346191 /nfs/dbraw/zinc/34/61/91/780346191.db2.gz PMXBJAVICMGSLK-ZETCQYMHSA-N 2 0 269.305 -1.119 20 0 CAADRP NC(=[NH2+])NCCCCC(=O)NC[C@H]1COCC[NH2+]1 ZINC001220432086 780347768 /nfs/dbraw/zinc/34/77/68/780347768.db2.gz XQKNGIIODVCPRH-VIFPVBQESA-N 2 0 257.338 -1.256 20 0 CAADRP O=C(NC[C@H]1COCC[NH2+]1)[C@@H]1COC2(C[NH2+]C2)CN1 ZINC001220428770 780347978 /nfs/dbraw/zinc/34/79/78/780347978.db2.gz FBPOZAWLMDYRQX-UWVGGRQHSA-N 2 0 270.333 -2.579 20 0 CAADRP CS(=O)(=O)N(CC[NH3+])CC(=O)NC[C@H]1COCC[NH2+]1 ZINC001220429114 780347987 /nfs/dbraw/zinc/34/79/87/780347987.db2.gz LGNJVNXTVBBPTR-VIFPVBQESA-N 2 0 294.377 -2.689 20 0 CAADRP Cn1cncc1C[C@H]([NH3+])C(=O)NC[C@H]1COCC[NH2+]1 ZINC001220429028 780348107 /nfs/dbraw/zinc/34/81/07/780348107.db2.gz JROARFHZGOHAIM-ONGXEEELSA-N 2 0 267.333 -1.606 20 0 CAADRP CC(C)C[C@H](NC(=O)C[NH3+])C(=O)NC[C@H]1COCC[NH2+]1 ZINC001220431446 780348128 /nfs/dbraw/zinc/34/81/28/780348128.db2.gz GYMPVNCCOJDZSO-QWRGUYRKSA-N 2 0 286.376 -1.419 20 0 CAADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)NC[C@H]1COCC[NH2+]1 ZINC001220431786 780348331 /nfs/dbraw/zinc/34/83/31/780348331.db2.gz PNXBYFARVNXFOA-NWDGAFQWSA-N 3 0 285.392 -2.159 20 0 CAADRP O=C(NC[C@@H]1COCC[NH2+]1)[C@H]1COC2(C[NH2+]C2)CN1 ZINC001220428769 780348199 /nfs/dbraw/zinc/34/81/99/780348199.db2.gz FBPOZAWLMDYRQX-NXEZZACHSA-N 2 0 270.333 -2.579 20 0 CAADRP [NH3+]CCSC[C@H]([NH3+])C(=O)NC[C@@H]1COCC[NH2+]1 ZINC001220431341 780348212 /nfs/dbraw/zinc/34/82/12/780348212.db2.gz FNARBPARIDSVHK-BDAKNGLRSA-N 3 0 262.379 -1.890 20 0 CAADRP Cn1c(=O)cc(NC(=O)[C@@H]([NH3+])C2CC[NH2+]CC2)[nH]c1=O ZINC001220424937 780348224 /nfs/dbraw/zinc/34/82/24/780348224.db2.gz ZJGNBRNNYMUCIZ-JTQLQIEISA-N 2 0 281.316 -1.249 20 0 CAADRP O=C(NC[C@@H]1COCC[NH2+]1)[C@]12C[NH2+]C[C@@H]1CCN2 ZINC001220429112 780348235 /nfs/dbraw/zinc/34/82/35/780348235.db2.gz LFTBEBJDQUUXPI-UMNHJUIQSA-N 2 0 254.334 -1.958 20 0 CAADRP O=C(NC[C@H]1COCC[NH2+]1)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220428872 780348454 /nfs/dbraw/zinc/34/84/54/780348454.db2.gz GVDVCELVUDAGRI-VHSXEESVSA-N 3 0 254.334 -2.100 20 0 CAADRP O=C(NC[C@@H]1COCC[NH2+]1)[C@]12C[NH2+]C[C@H]1CCN2 ZINC001220429110 780348494 /nfs/dbraw/zinc/34/84/94/780348494.db2.gz LFTBEBJDQUUXPI-FOGDFJRCSA-N 2 0 254.334 -1.958 20 0 CAADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC001220431785 780348546 /nfs/dbraw/zinc/34/85/46/780348546.db2.gz PNXBYFARVNXFOA-NEPJUHHUSA-N 3 0 285.392 -2.159 20 0 CAADRP O=C(NC[C@@H]1COCC[NH2+]1)[C@@H]1COC2(C[NH2+]C2)CN1 ZINC001220428772 780348556 /nfs/dbraw/zinc/34/85/56/780348556.db2.gz FBPOZAWLMDYRQX-ZJUUUORDSA-N 2 0 270.333 -2.579 20 0 CAADRP [NH3+][C@@H](C(=O)NC[C@@H]1COCC[NH2+]1)C1CC[NH2+]CC1 ZINC001220432102 780348597 /nfs/dbraw/zinc/34/85/97/780348597.db2.gz XWAGSQYORIHFPH-GHMZBOCLSA-N 3 0 256.350 -1.582 20 0 CAADRP O=C(NC[C@@H]1COCC[NH2+]1)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220428870 780348673 /nfs/dbraw/zinc/34/86/73/780348673.db2.gz GVDVCELVUDAGRI-NXEZZACHSA-N 3 0 254.334 -2.100 20 0 CAADRP [NH3+][C@H](C(=O)NC[C@@H]1COCC[NH2+]1)C1CCC(O)CC1 ZINC001220431535 780348709 /nfs/dbraw/zinc/34/87/09/780348709.db2.gz IZEYDPQVKQJFBK-RSJDFQLWSA-N 2 0 271.361 -1.031 20 0 CAADRP Cn1c(=O)cc(NC(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)[nH]c1=O ZINC001220424893 780348723 /nfs/dbraw/zinc/34/87/23/780348723.db2.gz XXKPJTHWKQDFEI-AMIZOPFISA-N 2 0 293.327 -1.377 20 0 CAADRP NC(=O)NCCC[C@@H]([NH3+])C(=O)NC[C@@H]1COCC[NH2+]1 ZINC001220428923 780348762 /nfs/dbraw/zinc/34/87/62/780348762.db2.gz HRGXYWHKRFHJJE-RKDXNWHRSA-N 2 0 273.337 -2.133 20 0 CAADRP [NH3+][C@H](C(=O)NC[C@H]1COCC[NH2+]1)C1CC[NH2+]CC1 ZINC001220432104 780348896 /nfs/dbraw/zinc/34/88/96/780348896.db2.gz XWAGSQYORIHFPH-QWRGUYRKSA-N 3 0 256.350 -1.582 20 0 CAADRP O=C(CCO)CNC(=O)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001220449035 780349127 /nfs/dbraw/zinc/34/91/27/780349127.db2.gz HEZBYSPBSZHRHT-LLVKDONJSA-N 2 0 269.345 -1.072 20 0 CAADRP O=C(N[C@@H](CO)C(F)(F)F)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220447528 780349622 /nfs/dbraw/zinc/34/96/22/780349622.db2.gz LKGDYZUGXDJSIX-RQJHMYQMSA-N 2 0 267.251 -1.165 20 0 CAADRP O=C(CCO)CNC(=O)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001220449036 780350268 /nfs/dbraw/zinc/35/02/68/780350268.db2.gz HEZBYSPBSZHRHT-NSHDSACASA-N 2 0 269.345 -1.072 20 0 CAADRP CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)[C@@H]2C[C@H](O)C[NH2+]2)O1 ZINC001220481250 780351443 /nfs/dbraw/zinc/35/14/43/780351443.db2.gz ANWAINGWCFSCNN-ZTVLKNOQSA-N 2 0 287.360 -1.450 20 0 CAADRP CC(C)(C)OC(=O)[C@H](CO)NC(=O)[C@H]([NH3+])CCC[NH3+] ZINC001220478044 780351747 /nfs/dbraw/zinc/35/17/47/780351747.db2.gz XRJYNJNMZFWVTB-BDAKNGLRSA-N 2 0 275.349 -1.129 20 0 CAADRP CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)[C@H]2C[C@@H](O)C[NH2+]2)O1 ZINC001220481249 780351947 /nfs/dbraw/zinc/35/19/47/780351947.db2.gz ANWAINGWCFSCNN-VDWIVTDKSA-N 2 0 287.360 -1.450 20 0 CAADRP CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)[C@H]2[NH2+]CC[C@H]2O)O1 ZINC001220481976 780352741 /nfs/dbraw/zinc/35/27/41/780352741.db2.gz XIUITIMOBFFOPK-ZZBQETCWSA-N 2 0 287.360 -1.450 20 0 CAADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N1C[C@H](O)C[C@@H]1CO ZINC001220481332 780352899 /nfs/dbraw/zinc/35/28/99/780352899.db2.gz DJMXZZIXRJBJFS-MXWKQRLJSA-N 2 0 259.350 -1.343 20 0 CAADRP CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)[C@H]2C[NH2+]C[C@H]2O)O1 ZINC001220481323 780352906 /nfs/dbraw/zinc/35/29/06/780352906.db2.gz DBCRBFQPBMWTGB-ZZZDWPBISA-N 2 0 287.360 -1.592 20 0 CAADRP CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)[C@@H]2C[NH2+]C[C@@H]2O)O1 ZINC001220481320 780353019 /nfs/dbraw/zinc/35/30/19/780353019.db2.gz DBCRBFQPBMWTGB-UYNYGYNWSA-N 2 0 287.360 -1.592 20 0 CAADRP CC(C)[C@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)[C@@H](N)CC[NH3+])O1 ZINC001220481616 780353269 /nfs/dbraw/zinc/35/32/69/780353269.db2.gz LLEACFPTWOBOHT-XNDJQWLSSA-N 2 0 274.365 -1.497 20 0 CAADRP CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)[C@@]2(N)CC[NH2+]C2)O1 ZINC001220482075 780353169 /nfs/dbraw/zinc/35/31/69/780353169.db2.gz ZUJKDTYPWOATQS-PRULPYPASA-N 2 0 286.376 -1.482 20 0 CAADRP CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)C[C@@H](O)C[NH3+])O1 ZINC001220481498 780353309 /nfs/dbraw/zinc/35/33/09/780353309.db2.gz JGGJRWGTQJONBL-DNRKLUKYSA-N 2 0 275.349 -1.463 20 0 CAADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)N1C[C@H](O)C[C@@H]1CO ZINC001220481880 780353349 /nfs/dbraw/zinc/35/33/49/780353349.db2.gz UYPJHKFBAYRLAC-IJLUTSLNSA-N 2 0 286.376 -2.309 20 0 CAADRP O=C([C@H]1CCC2(CC[NH2+]CC2)[NH2+]1)N1C[C@H](O)C[C@@H]1CO ZINC001220481809 780353560 /nfs/dbraw/zinc/35/35/60/780353560.db2.gz RWOPXKAKMTUJGY-IJLUTSLNSA-N 2 0 283.372 -1.185 20 0 CAADRP O=C([C@@H]1C[NH2+]CC12C[NH2+]C2)N1C[C@H](O)C[C@@H]1CO ZINC001220481406 780353656 /nfs/dbraw/zinc/35/36/56/780353656.db2.gz GNESULWBYRBPJY-BBBLOLIVSA-N 2 0 255.318 -2.251 20 0 CAADRP CC(C)[C@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)[C@@]2(N)CC[NH2+]C2)O1 ZINC001220482074 780353752 /nfs/dbraw/zinc/35/37/52/780353752.db2.gz ZUJKDTYPWOATQS-HNCHTBHHSA-N 2 0 286.376 -1.482 20 0 CAADRP CS(=O)(=O)N(CC[NH3+])CC(=O)NCC1([NH3+])CCCC1 ZINC001220496885 780354607 /nfs/dbraw/zinc/35/46/07/780354607.db2.gz GYRURSNYPGSOFZ-UHFFFAOYSA-N 2 0 292.405 -1.406 20 0 CAADRP N[C@@]1(C(=O)NCCOCCOCC[NH3+])CC[NH2+]C1 ZINC001220519610 780354758 /nfs/dbraw/zinc/35/47/58/780354758.db2.gz USJKDHLBYHKDMU-NSHDSACASA-N 2 0 260.338 -2.215 20 0 CAADRP [NH3+]C1(CNC(=O)[C@H]2COC3(C[NH2+]C3)CN2)CCCC1 ZINC001220494268 780355099 /nfs/dbraw/zinc/35/50/99/780355099.db2.gz IBJXOSXVKRDIBN-SNVBAGLBSA-N 2 0 268.361 -1.296 20 0 CAADRP [NH3+]CCOCCOCCNC(=O)[C@@H]([NH3+])Cc1cnc[nH]1 ZINC001220517438 780356385 /nfs/dbraw/zinc/35/63/85/780356385.db2.gz LQYMNKFLXKOXPG-NSHDSACASA-N 2 0 285.348 -1.612 20 0 CAADRP CN(CC[NH3+])CCNC(=O)C[C@@H]([NH3+])CCCC[NH3+] ZINC001220517456 780356498 /nfs/dbraw/zinc/35/64/98/780356498.db2.gz MHCGWZREKJEPDQ-NSHDSACASA-N 3 0 259.398 -1.161 20 0 CAADRP CN(CC[NH3+])CCNC(=O)CCCCNC(N)=[NH2+] ZINC001220517493 780356735 /nfs/dbraw/zinc/35/67/35/780356735.db2.gz NYNHUUUPQPVWAJ-UHFFFAOYSA-N 2 0 258.370 -1.354 20 0 CAADRP CN(CC[NH3+])CCNC(=O)[C@@H]([NH3+])Cc1cnc[nH]1 ZINC001220515812 780356926 /nfs/dbraw/zinc/35/69/26/780356926.db2.gz LNBFGXROMKOGBC-JTQLQIEISA-N 2 0 254.338 -1.714 20 0 CAADRP CN(CC[NH3+])CCNC(=O)[C@@H]1COC2(C[NH2+]C2)CN1 ZINC001220516189 780357113 /nfs/dbraw/zinc/35/71/13/780357113.db2.gz RMKJKEDCKFSPKX-JTQLQIEISA-N 2 0 271.365 -2.677 20 0 CAADRP COC(=O)c1ncc(=O)[nH]c1NC(=O)[C@H]([NH3+])CCC[NH3+] ZINC001220514496 780357701 /nfs/dbraw/zinc/35/77/01/780357701.db2.gz NDAWPKKKBLJJJE-ZCFIWIBFSA-N 2 0 283.288 -1.027 20 0 CAADRP CN(CC[NH3+])CCNC(=O)[C@@]12C[NH2+]C[C@@H]1CCN2 ZINC001220515955 780357798 /nfs/dbraw/zinc/35/77/98/780357798.db2.gz MSNOYWSZQNOVRR-CMPLNLGQSA-N 2 0 255.366 -2.055 20 0 CAADRP [NH3+]CCC[NH2+]CC(=O)NCCOCCOCC[NH3+] ZINC001220519088 780358394 /nfs/dbraw/zinc/35/83/94/780358394.db2.gz AOLGVXCSLVWLTA-UHFFFAOYSA-N 3 0 262.354 -1.967 20 0 CAADRP N[C@H]1C[NH2+]C[C@@H]1C(=O)NCCOCCOCC[NH3+] ZINC001220519091 780358457 /nfs/dbraw/zinc/35/84/57/780358457.db2.gz APCCSERSDBOQLR-UWVGGRQHSA-N 2 0 260.338 -2.359 20 0 CAADRP [NH3+]CCOCCOCCNC(=O)[C@@H]1C[NH2+]C[C@H]1O ZINC001220519501 780358570 /nfs/dbraw/zinc/35/85/70/780358570.db2.gz QKESYBNRUHDOLF-NXEZZACHSA-N 2 0 261.322 -2.325 20 0 CAADRP CN(CC[NH3+])CCNC(=O)[C@@H]([NH3+])CC[S@@](C)=O ZINC001220517785 780358645 /nfs/dbraw/zinc/35/86/45/780358645.db2.gz ZUTCZMCUEYJEPX-HUTHGQBESA-N 2 0 264.395 -1.911 20 0 CAADRP [NH3+]CCOCCOCCNC(=O)[C@@]12C[NH2+]C[C@@H]1CCN2 ZINC001220519228 780358709 /nfs/dbraw/zinc/35/87/09/780358709.db2.gz HDCACHJBLIDBDV-WCQYABFASA-N 2 0 286.376 -1.954 20 0 CAADRP CCOC(=O)C1=C(NC(=O)[C@@H]2C[C@H]([NH3+])CN2)CC[NH2+]C1 ZINC001220523605 780358867 /nfs/dbraw/zinc/35/88/67/780358867.db2.gz RZDQRFJQKGGRJV-KWQFWETISA-N 2 0 282.344 -1.398 20 0 CAADRP [NH3+]CCOCCOCCNC(=O)[C@@H]([NH3+])CSCC[NH3+] ZINC001220519453 780358954 /nfs/dbraw/zinc/35/89/54/780358954.db2.gz OPKGQZRNEDGZLS-JTQLQIEISA-N 3 0 294.421 -1.886 20 0 CAADRP CCOC(=O)C1=C(NC(=O)[C@H]2C[NH2+]C[C@H]2O)CC[NH2+]C1 ZINC001220522822 780359002 /nfs/dbraw/zinc/35/90/02/780359002.db2.gz FXKRVTXLATVJMC-GXSJLCMTSA-N 2 0 283.328 -1.507 20 0 CAADRP [NH3+]CCOCCOCCNC(=O)[C@@H]1C[C@H](O)C[NH2+]1 ZINC001220519650 780359129 /nfs/dbraw/zinc/35/91/29/780359129.db2.gz WOAXNUWHANENQQ-UWVGGRQHSA-N 2 0 261.322 -2.183 20 0 CAADRP [NH3+]CCOCCOCCNC(=O)[C@H]1C[NH2+]CCN1 ZINC001220519683 780359140 /nfs/dbraw/zinc/35/91/40/780359140.db2.gz XSKXYQHBSNGYPC-SNVBAGLBSA-N 2 0 260.338 -2.344 20 0 CAADRP CCOC(=O)C1=C(NC(=O)[C@@H]2C[C@H](O)C[NH2+]2)CC[NH2+]C1 ZINC001220521421 780359171 /nfs/dbraw/zinc/35/91/71/780359171.db2.gz GKGQVIKGPDXPCW-KWQFWETISA-N 2 0 283.328 -1.364 20 0 CAADRP C[S@@](=O)CC[C@H]([NH3+])C(=O)NCCOCCOCC[NH3+] ZINC001220519486 780359358 /nfs/dbraw/zinc/35/93/58/780359358.db2.gz PXWKPVDWYHOWJT-APBUJDDRSA-N 2 0 295.405 -1.810 20 0 CAADRP CN(CC[NH3+])CCNC(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001220517693 780359435 /nfs/dbraw/zinc/35/94/35/780359435.db2.gz WFBLXXAJFZJFFP-LBPRGKRZSA-N 3 0 286.424 -2.257 20 0 CAADRP [NH3+]CCOCCOCCNC(=O)CN1CC[NH2+]CC1 ZINC001220519566 780359470 /nfs/dbraw/zinc/35/94/70/780359470.db2.gz SGDKEFZOHWEFOT-UHFFFAOYSA-N 2 0 274.365 -2.000 20 0 CAADRP CN(CC[NH3+])CCNC(=O)[C@@H]([NH3+])CSCC[NH3+] ZINC001220517613 780359493 /nfs/dbraw/zinc/35/94/93/780359493.db2.gz STJWDDTWJTWPSQ-VIFPVBQESA-N 3 0 263.411 -1.988 20 0 CAADRP CCOC(=O)C1=C(NC(=O)[C@@H]2C[NH2+]C[C@H]2O)CC[NH2+]C1 ZINC001220522825 780359681 /nfs/dbraw/zinc/35/96/81/780359681.db2.gz FXKRVTXLATVJMC-MWLCHTKSSA-N 2 0 283.328 -1.507 20 0 CAADRP CC(=O)OC[C@H]([NH3+])C(=O)NCCOCCOCC[NH3+] ZINC001220519670 780360119 /nfs/dbraw/zinc/36/01/19/780360119.db2.gz XHTZIMHDMIQVHI-JTQLQIEISA-N 2 0 277.321 -2.015 20 0 CAADRP CCOC(=O)C1=C(NC(=O)C[NH2+]CCC[NH3+])CC[NH2+]C1 ZINC001220524076 780360982 /nfs/dbraw/zinc/36/09/82/780360982.db2.gz YVTAKKKJZNJOSA-UHFFFAOYSA-N 3 0 284.360 -1.149 20 0 CAADRP [NH3+]CCC[C@H]([NH3+])C(=O)NCCN1CC2(COC2)C1 ZINC001220570976 780363301 /nfs/dbraw/zinc/36/33/01/780363301.db2.gz FPYKZZTVBGGVDX-JTQLQIEISA-N 2 0 256.350 -1.499 20 0 CAADRP CCOC(=O)CN(CC[NH3+])C(=O)[C@@]12CC[C@@H](N1)[C@H]([NH3+])C2 ZINC001220583651 780367096 /nfs/dbraw/zinc/36/70/96/780367096.db2.gz SMRXZZCEYVGYLQ-BREBYQMCSA-N 2 0 284.360 -1.441 20 0 CAADRP CCOC(=O)CN(CC[NH3+])C(=O)[C@H]1C[NH2+]C[C@H]1O ZINC001220583086 780367139 /nfs/dbraw/zinc/36/71/39/780367139.db2.gz DCCZMIOZNCDGDT-DTWKUNHWSA-N 2 0 259.306 -2.083 20 0 CAADRP CCOC(=O)CN(CC[NH3+])C(=O)[C@H]([NH3+])Cc1cnc[nH]1 ZINC001220583097 780367326 /nfs/dbraw/zinc/36/73/26/780367326.db2.gz DHZRNAIMNFEVCP-SNVBAGLBSA-N 2 0 283.332 -1.370 20 0 CAADRP CCOC(=O)CN(CC[NH3+])C(=O)CN1CC[NH2+]CC1 ZINC001220583228 780367455 /nfs/dbraw/zinc/36/74/55/780367455.db2.gz FUCINYXHGJVHKX-UHFFFAOYSA-N 2 0 272.349 -1.758 20 0 CAADRP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](C[C@@H](C)O)C[C@@H]1O ZINC001220582785 780367475 /nfs/dbraw/zinc/36/74/75/780367475.db2.gz DPZFKDSBXXYSMO-UTUOFQBUSA-N 2 0 273.377 -1.130 20 0 CAADRP CCOC(=O)CN(CC[NH3+])C(=O)[C@@H]([NH3+])CC[S@](C)=O ZINC001220583715 780367655 /nfs/dbraw/zinc/36/76/55/780367655.db2.gz VTMRPRHSDTZLKG-UGZDLDLSSA-N 2 0 293.389 -1.567 20 0 CAADRP CCOC(=O)CN(CC[NH3+])C(=O)[C@@H]1C[C@H](O)C[NH2+]1 ZINC001220583644 780368002 /nfs/dbraw/zinc/36/80/02/780368002.db2.gz SHPXAOJFVNTMBY-IUCAKERBSA-N 2 0 259.306 -1.940 20 0 CAADRP CCOC(=O)CN(CC[NH3+])C(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC001220583770 780368088 /nfs/dbraw/zinc/36/80/88/780368088.db2.gz YBMGVBXYNKALNE-JZYVYDRUSA-N 2 0 255.318 -1.198 20 0 CAADRP CCOC(=O)CN(CC[NH3+])C(=O)[C@@H]1C[NH2+]C[C@H]1O ZINC001220583088 780368248 /nfs/dbraw/zinc/36/82/48/780368248.db2.gz DCCZMIOZNCDGDT-RKDXNWHRSA-N 2 0 259.306 -2.083 20 0 CAADRP CCOC(=O)CN(CC[NH3+])C(=O)C[C@@H]1COCC[NH2+]1 ZINC001220585737 780368496 /nfs/dbraw/zinc/36/84/96/780368496.db2.gz WNUIZOLWELIVDB-SNVBAGLBSA-N 2 0 273.333 -1.285 20 0 CAADRP CCOC(=O)CN(CC[NH3+])C(=O)[C@@]1(N)CC[NH2+]C1 ZINC001220583286 780368536 /nfs/dbraw/zinc/36/85/36/780368536.db2.gz IDQXVTJZVXZBNT-LLVKDONJSA-N 2 0 258.322 -1.972 20 0 CAADRP CCOC(=O)CN(CC[NH3+])C(=O)[C@@H]1C[C@@H]([NH3+])CN1 ZINC001220583584 780368572 /nfs/dbraw/zinc/36/85/72/780368572.db2.gz PBSSDEIAAFAVIY-BDAKNGLRSA-N 2 0 258.322 -1.974 20 0 CAADRP CCOC(=O)CN(CC[NH3+])C(=O)[C@@H]1C[NH2+]C[C@@H]1O ZINC001220583085 780368713 /nfs/dbraw/zinc/36/87/13/780368713.db2.gz DCCZMIOZNCDGDT-BDAKNGLRSA-N 2 0 259.306 -2.083 20 0 CAADRP CCOC(=O)CN(CC[NH3+])C(=O)[C@H]1[NH2+]CC[C@H]1O ZINC001220585358 780368782 /nfs/dbraw/zinc/36/87/82/780368782.db2.gz IKHDSQMEJOEHHG-SCZZXKLOSA-N 2 0 259.306 -1.940 20 0 CAADRP CCOC(=O)CN(CC[NH3+])C(=O)[C@@H]([NH3+])CC[S@@](C)=O ZINC001220583716 780368806 /nfs/dbraw/zinc/36/88/06/780368806.db2.gz VTMRPRHSDTZLKG-ZRNGKTOUSA-N 2 0 293.389 -1.567 20 0 CAADRP CC(=O)N1CC(NC(=O)[C@@H]([NH3+])C2CC[NH2+]CC2)C1 ZINC001220598761 780369578 /nfs/dbraw/zinc/36/95/78/780369578.db2.gz BYEGDTRBZYOUGT-NSHDSACASA-N 2 0 254.334 -1.340 20 0 CAADRP CC(=O)N1CC(NC(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)C1 ZINC001220598890 780370534 /nfs/dbraw/zinc/37/05/34/780370534.db2.gz GPIDFIMYLBROIL-LBPRGKRZSA-N 2 0 283.376 -1.916 20 0 CAADRP C[C@H]1COCCN1CCNC(=O)[C@@H]([NH3+])CCC[NH3+] ZINC001220725629 780375324 /nfs/dbraw/zinc/37/53/24/780375324.db2.gz VWESYTARIZFCFP-QWRGUYRKSA-N 2 0 258.366 -1.111 20 0 CAADRP C[C@@H]1COCCN1CCNC(=O)[C@@H]([NH3+])CSCC[NH3+] ZINC001220723472 780375604 /nfs/dbraw/zinc/37/56/04/780375604.db2.gz AHYLELWDMDHHST-MNOVXSKESA-N 2 0 290.433 -1.158 20 0 CAADRP C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)Nc1cccnc1C[NH3+] ZINC001220714405 780375869 /nfs/dbraw/zinc/37/58/69/780375869.db2.gz KJTGEGJTDASEDA-YUMQZZPRSA-N 2 0 281.316 -1.697 20 0 CAADRP C[C@@H]1COCCN1CCNC(=O)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220725434 780375979 /nfs/dbraw/zinc/37/59/79/780375979.db2.gz RLVRFFZLGOJVCH-VXGBXAGGSA-N 2 0 282.388 -1.368 20 0 CAADRP C[C@H]1COCCN1CCNC(=O)[C@H]([NH3+])CCC[NH3+] ZINC001220725630 780376007 /nfs/dbraw/zinc/37/60/07/780376007.db2.gz VWESYTARIZFCFP-WDEREUQCSA-N 2 0 258.366 -1.111 20 0 CAADRP C[C@H]1COCCN1CCNC(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220725433 780376061 /nfs/dbraw/zinc/37/60/61/780376061.db2.gz RLVRFFZLGOJVCH-RYUDHWBXSA-N 2 0 282.388 -1.368 20 0 CAADRP C[C@@H]1COCCN1CCNC(=O)[C@H]([NH3+])CCC[NH3+] ZINC001220725627 780376756 /nfs/dbraw/zinc/37/67/56/780376756.db2.gz VWESYTARIZFCFP-GHMZBOCLSA-N 2 0 258.366 -1.111 20 0 CAADRP CC(=O)NC[C@H](C)CNC(=O)[C@@H]([NH3+])CSCC[NH3+] ZINC001220756814 780377868 /nfs/dbraw/zinc/37/78/68/780377868.db2.gz KTYVHLTYLGXDEF-WPRPVWTQSA-N 2 0 276.406 -1.106 20 0 CAADRP CC(=O)NC[C@@H](C)CNC(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001220756980 780378275 /nfs/dbraw/zinc/37/82/75/780378275.db2.gz PJIXMYBVIBSCIU-MFKMUULPSA-N 2 0 299.419 -1.375 20 0 CAADRP CC(=O)NC[C@H](C)CNC(=O)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220756942 780379139 /nfs/dbraw/zinc/37/91/39/780379139.db2.gz OQARQHCSVWMYHU-GXSJLCMTSA-N 2 0 268.361 -1.316 20 0 CAADRP CC[N@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001220764609 780379720 /nfs/dbraw/zinc/37/97/20/780379720.db2.gz QEQBOZDWVRPDKN-MNOVXSKESA-N 2 0 259.350 -1.254 20 0 CAADRP C[C@@H](O)C[N@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001220768526 780379807 /nfs/dbraw/zinc/37/98/07/780379807.db2.gz QDHOFVYUVQEQGN-UTUOFQBUSA-N 2 0 289.376 -1.893 20 0 CAADRP COC(=O)[C@@H](Cc1cncn1C)NC(=O)[C@H]([NH3+])CCC[NH3+] ZINC001220768757 780380044 /nfs/dbraw/zinc/38/00/44/780380044.db2.gz ANZGZRDNECTVIG-GHMZBOCLSA-N 2 0 297.359 -1.313 20 0 CAADRP C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N[C@@]12CC[C@@]([NH3+])(C1)CCC2 ZINC001220780302 780381401 /nfs/dbraw/zinc/38/14/01/780381401.db2.gz CRTNNHWFZCLMLG-ZNIXKSQXSA-N 2 0 298.387 -1.269 20 0 CAADRP CCOC(=O)C1=C(NC(=O)[C@@H]2C[NH2+]C[C@@H](O)C2)C[NH2+]C1 ZINC001220827480 780381866 /nfs/dbraw/zinc/38/18/66/780381866.db2.gz OQVDRYSYEAQMKF-IUCAKERBSA-N 2 0 283.328 -1.507 20 0 CAADRP CCOC(=O)C1=C(NC(=O)[C@H]2C[NH2+]CCC2=O)C[NH2+]C1 ZINC001220827967 780381936 /nfs/dbraw/zinc/38/19/36/780381936.db2.gz DVUBSURZIGADFY-VIFPVBQESA-N 2 0 281.312 -1.298 20 0 CAADRP CCOC(=O)C1=C(NC(=O)C[C@H](O)C[NH3+])C[NH2+]C1 ZINC001220826896 780382016 /nfs/dbraw/zinc/38/20/16/780382016.db2.gz BHTAVAXAHNCOND-ZETCQYMHSA-N 2 0 257.290 -1.767 20 0 CAADRP CCOC(=O)C1=C(NC(=O)[C@@H]2C[NH2+]CCCO2)C[NH2+]C1 ZINC001220826955 780382028 /nfs/dbraw/zinc/38/20/28/780382028.db2.gz DBGWCEKHAUUSDL-NSHDSACASA-N 2 0 283.328 -1.099 20 0 CAADRP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CCO)C[C@@H]1O ZINC001220816994 780382111 /nfs/dbraw/zinc/38/21/11/780382111.db2.gz KMGLXDPQQJVBNN-NEPJUHHUSA-N 2 0 273.377 -1.128 20 0 CAADRP CCC[N@H+](C)CC(=O)N[C@@H]1CN([C@@H](C)C(N)=O)C[C@@H]1O ZINC001220822463 780382196 /nfs/dbraw/zinc/38/21/96/780382196.db2.gz ZMVXTJWGHAPYTA-AXFHLTTASA-N 2 0 286.376 -1.637 20 0 CAADRP CCC[N@H+](C)CC(=O)N[C@@H]1CN([C@@H]2CCNC2=O)C[C@@H]1O ZINC001220817438 780382326 /nfs/dbraw/zinc/38/23/26/780382326.db2.gz WLYALNTUKRFCIW-UTUOFQBUSA-N 2 0 298.387 -1.622 20 0 CAADRP CCOC(=O)C1=C(NC(=O)[C@@H]([NH3+])[C@@H](C)O)C[NH2+]C1 ZINC001220827524 780382462 /nfs/dbraw/zinc/38/24/62/780382462.db2.gz QNUVZHOZSQLUAS-MUWHJKNJSA-N 2 0 257.290 -1.769 20 0 CAADRP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](CCCO)C[C@@H]1O ZINC001220821636 780382619 /nfs/dbraw/zinc/38/26/19/780382619.db2.gz CSBIAXANEXPOES-NEPJUHHUSA-N 2 0 273.377 -1.128 20 0 CAADRP CCOC(=O)C1=C(NC(=O)[C@]23C[NH2+]C[C@H]2COC3)C[NH2+]C1 ZINC001220826947 780382709 /nfs/dbraw/zinc/38/27/09/780382709.db2.gz CNYPHTDCFHEGFP-XPTSAGLGSA-N 2 0 295.339 -1.241 20 0 CAADRP CCOC(=O)C1=C(NC(=O)[C@@]2(C)CC[NH2+]C[C@@H]2O)C[NH2+]C1 ZINC001220827001 780382757 /nfs/dbraw/zinc/38/27/57/780382757.db2.gz DYBKBHZIQFFFDP-FZMZJTMJSA-N 2 0 297.355 -1.117 20 0 CAADRP CCOC(=O)C1=C(NC(=O)[C@@H]2C[NH2+]C[C@H](O)C2)C[NH2+]C1 ZINC001220827479 780382831 /nfs/dbraw/zinc/38/28/31/780382831.db2.gz OQVDRYSYEAQMKF-DTWKUNHWSA-N 2 0 283.328 -1.507 20 0 CAADRP CCOC(=O)C1=C(NC(=O)[C@H]2C[NH2+]C[C@@H](O)C2)C[NH2+]C1 ZINC001220827478 780382868 /nfs/dbraw/zinc/38/28/68/780382868.db2.gz OQVDRYSYEAQMKF-BDAKNGLRSA-N 2 0 283.328 -1.507 20 0 CAADRP CCOC(=O)C1=C(NC(=O)[C@@H]([NH3+])Cn2cccn2)C[NH2+]C1 ZINC001220825656 780383048 /nfs/dbraw/zinc/38/30/48/780383048.db2.gz PXEIYWYNMIAIQA-JTQLQIEISA-N 2 0 293.327 -1.253 20 0 CAADRP CCOC(=O)C1=C(NC(=O)[C@H]2C[C@@H](O)C[NH2+]2)C[NH2+]C1 ZINC001220827178 780383068 /nfs/dbraw/zinc/38/30/68/780383068.db2.gz IZZHDACXRXWTMA-VXNVDRBHSA-N 2 0 269.301 -1.754 20 0 CAADRP CCOC(=O)C1=C(NC(=O)[C@@H]2C[NH2+]CC[C@@H]2O)C[NH2+]C1 ZINC001220827425 780383152 /nfs/dbraw/zinc/38/31/52/780383152.db2.gz MVKYFVODZRKWIY-KOLCDFICSA-N 2 0 283.328 -1.507 20 0 CAADRP CCC[N@H+](C)CC(=O)N[C@@H]1CN([C@H]2CCNC2=O)C[C@@H]1O ZINC001220817439 780383425 /nfs/dbraw/zinc/38/34/25/780383425.db2.gz WLYALNTUKRFCIW-WOPDTQHZSA-N 2 0 298.387 -1.622 20 0 CAADRP CCOC(=O)C1=C(NC(=O)[C@]2(C)CC[NH2+]C[C@@H]2O)C[NH2+]C1 ZINC001220827003 780383529 /nfs/dbraw/zinc/38/35/29/780383529.db2.gz DYBKBHZIQFFFDP-SMDDNHRTSA-N 2 0 297.355 -1.117 20 0 CAADRP CCOC(=O)C1=C(NC(=O)C[C@H]2COCC[NH2+]2)C[NH2+]C1 ZINC001220829921 780383869 /nfs/dbraw/zinc/38/38/69/780383869.db2.gz GCCFUYYHOJSCJG-VIFPVBQESA-N 2 0 283.328 -1.099 20 0 CAADRP CCOC(=O)C1=C(NC(=O)CN(C)C(N)=[NH2+])C[NH2+]C1 ZINC001220827644 780383919 /nfs/dbraw/zinc/38/39/19/780383919.db2.gz WJBJWLMYXUHABU-UHFFFAOYSA-N 2 0 269.305 -1.652 20 0 CAADRP CCOC(=O)C1=C(NC(=O)[C@@H]([NH3+])C2CC[NH2+]CC2)C[NH2+]C1 ZINC001220828319 780384054 /nfs/dbraw/zinc/38/40/54/780384054.db2.gz LWUCOBJNIVDPMM-LBPRGKRZSA-N 3 0 296.371 -1.150 20 0 CAADRP CCOC(=O)C1=C(NC(=O)[C@@H]2C[N@H+](C)CCN2C)C[NH2+]C1 ZINC001220830031 780384182 /nfs/dbraw/zinc/38/41/82/780384182.db2.gz KVOWKZAPDSXIHE-LBPRGKRZSA-N 2 0 296.371 -1.231 20 0 CAADRP CCOC(=O)C1=C(NC(=O)[C@H]2CO[C@@H]3C[NH2+]C[C@H]23)C[NH2+]C1 ZINC001220827708 780384488 /nfs/dbraw/zinc/38/44/88/780384488.db2.gz YPDDHGBWODQLQD-UBHAPETDSA-N 2 0 295.339 -1.243 20 0 CAADRP CSCC[C@H](NC(=O)[C@@H]([NH3+])CCC[NH3+])C(N)=O ZINC001220840593 780384733 /nfs/dbraw/zinc/38/47/33/780384733.db2.gz QKODGKVQSCVUAB-YUMQZZPRSA-N 2 0 262.379 -1.224 20 0 CAADRP CCOC(=O)C1=C(NC(=O)[C@H](C[NH3+])OC)C[NH2+]C1 ZINC001220829933 780384880 /nfs/dbraw/zinc/38/48/80/780384880.db2.gz GKUYPXZJICBQRA-VIFPVBQESA-N 2 0 257.290 -1.503 20 0 CAADRP CCOC(=O)C1=C(NC(=O)[C@@](C)([NH3+])CO)C[NH2+]C1 ZINC001220827675 780385031 /nfs/dbraw/zinc/38/50/31/780385031.db2.gz XLCHOWWXYQWLBH-NSHDSACASA-N 2 0 257.290 -1.767 20 0 CAADRP CCOC(=O)C1=C(NC(=O)C[C@H]([NH3+])CO)C[NH2+]C1 ZINC001220829119 780385078 /nfs/dbraw/zinc/38/50/78/780385078.db2.gz YDNMKZWHCSFZBA-ZETCQYMHSA-N 2 0 257.290 -1.767 20 0 CAADRP CCOC(=O)C1=C(NC(=O)C[C@@H]([NH3+])CCC(N)=O)C[NH2+]C1 ZINC001220827924 780385088 /nfs/dbraw/zinc/38/50/88/780385088.db2.gz CTLIRKSVPATVQT-QMMMGPOBSA-N 2 0 298.343 -1.494 20 0 CAADRP CCOC(=O)C1=C(NC(=O)[C@@H]([NH3+])CCC[NH3+])C[NH2+]C1 ZINC001220827713 780385098 /nfs/dbraw/zinc/38/50/98/780385098.db2.gz YXTPZVRZQMDBKD-VIFPVBQESA-N 3 0 270.333 -1.411 20 0 CAADRP CCOC(=O)C1=C(NC(=O)C2(O)CC[NH+](C)CC2)C[NH2+]C1 ZINC001220828118 780385139 /nfs/dbraw/zinc/38/51/39/780385139.db2.gz HUEKCXAJSDEQSX-UHFFFAOYSA-N 2 0 297.355 -1.020 20 0 CAADRP CCOC(=O)C1=C(NC(=O)[C@]2(N)CCC[NH2+]C2)C[NH2+]C1 ZINC001220828729 780385156 /nfs/dbraw/zinc/38/51/56/780385156.db2.gz QKJXJHFHHILNKO-ZDUSSCGKSA-N 2 0 282.344 -1.396 20 0 CAADRP CSCC[C@H](NC(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2)C(N)=O ZINC001220840907 780385425 /nfs/dbraw/zinc/38/54/25/780385425.db2.gz ZACASGFGRPYKMQ-IUCAKERBSA-N 2 0 286.401 -1.481 20 0 CAADRP CCOC(=O)C1(NC(=O)[C@@H]([NH3+])CSCC[NH3+])C[NH2+]C1 ZINC001220851073 780385819 /nfs/dbraw/zinc/38/58/19/780385819.db2.gz GLIRQBBTYREZLZ-QMMMGPOBSA-N 3 0 290.389 -1.973 20 0 CAADRP CCOC(=O)C1(NC(=O)[C@H]2C[NH2+]C[C@H]2O)C[NH2+]C1 ZINC001220851006 780385937 /nfs/dbraw/zinc/38/59/37/780385937.db2.gz CZFMJKGGLHZAQV-JGVFFNPUSA-N 2 0 257.290 -2.412 20 0 CAADRP CCOC(=O)C1(NC(=O)[C@@]23C[NH2+]C[C@@H]2CCN3)C[NH2+]C1 ZINC001220851020 780386992 /nfs/dbraw/zinc/38/69/92/780386992.db2.gz DGFZONYJFZSONZ-TVQRCGJNSA-N 2 0 282.344 -2.041 20 0 CAADRP CCOC(=O)C1(NC(=O)CCCCNC(N)=[NH2+])C[NH2+]C1 ZINC001220850920 780387093 /nfs/dbraw/zinc/38/70/93/780387093.db2.gz AJOSWKXWJGWQAP-UHFFFAOYSA-N 2 0 285.348 -1.339 20 0 CAADRP CCOC(=O)C1(NC(=O)[C@@H]2C[C@H](O)C[NH2+]2)C[NH2+]C1 ZINC001220851136 780387603 /nfs/dbraw/zinc/38/76/03/780387603.db2.gz JDXNDIZPJZOSCQ-YUMQZZPRSA-N 2 0 257.290 -2.270 20 0 CAADRP CCOC(=O)C1(NC(=O)[C@H]([NH3+])CCC[NH3+])C[NH2+]C1 ZINC001220851466 780387832 /nfs/dbraw/zinc/38/78/32/780387832.db2.gz XBESAKLGHCFTQG-MRVPVSSYSA-N 3 0 258.322 -1.926 20 0 CAADRP C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N[C@@H](C[NH3+])C(C)(C)C ZINC001220859542 780388006 /nfs/dbraw/zinc/38/80/06/780388006.db2.gz CMCODZAVBPPKFC-CIUDSAMLSA-N 2 0 274.365 -1.700 20 0 CAADRP CC(C)(C)[C@H](C[NH3+])NC(=O)CN(CC[NH3+])S(C)(=O)=O ZINC001220859799 780388274 /nfs/dbraw/zinc/38/82/74/780388274.db2.gz NBWULSVUYOKGDQ-VIFPVBQESA-N 2 0 294.421 -1.304 20 0 CAADRP [NH3+]CCC[C@@H]([NH3+])C(=O)NCCN1CCNCC1=O ZINC001220872079 780388514 /nfs/dbraw/zinc/38/85/14/780388514.db2.gz JLUUZHSRBUHIJC-SECBINFHSA-N 3 0 257.338 -2.399 20 0 CAADRP CCOC(=O)C1(NC(=O)[C@H]2[NH2+]CC[C@H]2O)C[NH2+]C1 ZINC001220852890 780388596 /nfs/dbraw/zinc/38/85/96/780388596.db2.gz BIHFPVMKHQMCQH-SFYZADRCSA-N 2 0 257.290 -2.270 20 0 CAADRP CCOC(=O)C1(NC(=O)[C@H]2C[NH2+]C[C@@H]2N)C[NH2+]C1 ZINC001220851386 780388697 /nfs/dbraw/zinc/38/86/97/780388697.db2.gz URNHXUZPXCDQRN-YUMQZZPRSA-N 2 0 256.306 -2.446 20 0 CAADRP C[NH+](C)CCCC[C@H]([NH3+])C(=O)NCCN1CCNCC1=O ZINC001220871858 780388755 /nfs/dbraw/zinc/38/87/55/780388755.db2.gz AGHBGUXSDPAMMH-LBPRGKRZSA-N 2 0 299.419 -1.406 20 0 CAADRP CCOC(=O)C1(NC(=O)[C@@H]([NH3+])CCCC[NH3+])C[NH2+]C1 ZINC001220851348 780389035 /nfs/dbraw/zinc/38/90/35/780389035.db2.gz SBFVTFGDCUAQAQ-VIFPVBQESA-N 3 0 272.349 -1.536 20 0 CAADRP CCOC(=O)C1(NC(=O)[C@@H]([NH3+])CC[S@](C)=O)C[NH2+]C1 ZINC001220851085 780389079 /nfs/dbraw/zinc/38/90/79/780389079.db2.gz HCNRGRCYRMJIDE-RLBGWGEZSA-N 2 0 291.373 -1.896 20 0 CAADRP CCOC(=O)C1(NC(=O)[C@@H]([NH3+])Cc2cncn2C)C[NH2+]C1 ZINC001220851194 780389104 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CS(=O)(=O)N(CC[NH3+])CC(=O)N[C@@H]1CCC[NH2+]C1 ZINC001220887005 780392264 /nfs/dbraw/zinc/39/22/64/780392264.db2.gz RILXNRPFHCMFRU-SECBINFHSA-N 2 0 278.378 -1.925 20 0 CAADRP O=C(N[C@H]1CCC[NH2+]C1)[C@@H]1CNC(=O)C12CC[NH2+]CC2 ZINC001220884629 780392380 /nfs/dbraw/zinc/39/23/80/780392380.db2.gz IXUSYWFZKZNOSM-QWRGUYRKSA-N 2 0 280.372 -1.030 20 0 CAADRP C[C@@H](O)C[N@H+]1C[C@@H](NC(=O)CCc2cncn2C)[C@@H](O)C1 ZINC001220888413 780392630 /nfs/dbraw/zinc/39/26/30/780392630.db2.gz KQCLNDBBRSZVSD-RTXFEEFZSA-N 2 0 296.371 -1.105 20 0 CAADRP [NH3+]CC(=O)N1CCC[C@H]1C(=O)N[C@@H]1CCC[NH2+]C1 ZINC001220886954 780393130 /nfs/dbraw/zinc/39/31/30/780393130.db2.gz QKSWRRJCANWUIA-ZJUUUORDSA-N 2 0 254.334 -1.196 20 0 CAADRP COC(=O)[C@@H]1C[C@@H]1CNC(=O)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220881083 780393290 /nfs/dbraw/zinc/39/32/90/780393290.db2.gz CAEOEBBKILJMDQ-OPRDCNLKSA-N 2 0 267.329 -1.279 20 0 CAADRP [NH3+]CCNCC(=O)NCCN(CC[NH3+])N(O)N=O ZINC001220903510 780393937 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[NH3+]CCN(CCNC(=O)[C@H]1[NH2+]CC[C@@H]1O)N(O)N=O ZINC001220902905 780394241 /nfs/dbraw/zinc/39/42/41/780394241.db2.gz FEFIDMIIKPSGIX-YUMQZZPRSA-N 2 0 276.297 -2.626 20 0 CAADRP [NH3+]CCN(CCNC(=O)C[C@H](O)C[NH3+])N(O)N=O ZINC001220900425 780394367 /nfs/dbraw/zinc/39/43/67/780394367.db2.gz KBPVLEUODWEGHS-ZETCQYMHSA-N 2 0 264.286 -2.639 20 0 CAADRP [NH3+]CCN(CCNC(=O)[C@@H]1CC[NH2+]C[C@@H]1F)N(O)N=O ZINC001220903739 780394436 /nfs/dbraw/zinc/39/44/36/780394436.db2.gz YVJXGVMFKAXXLR-BDAKNGLRSA-N 2 0 292.315 -1.402 20 0 CAADRP [NH3+]CCN(CCNC(=O)[C@H]1[NH2+]CC[C@H]1O)N(O)N=O ZINC001220902904 780394445 /nfs/dbraw/zinc/39/44/45/780394445.db2.gz FEFIDMIIKPSGIX-SFYZADRCSA-N 2 0 276.297 -2.626 20 0 CAADRP [NH3+]CCN(CCNC(=O)[C@@H]1C[NH2+]C[C@@H]1O)N(O)N=O ZINC001220903025 780394531 /nfs/dbraw/zinc/39/45/31/780394531.db2.gz IXRIBFDFBUKVFC-SFYZADRCSA-N 2 0 276.297 -2.769 20 0 CAADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)N[C@H]1CCC[NH2+]C1 ZINC001220889249 780394559 /nfs/dbraw/zinc/39/45/59/780394559.db2.gz GQXBGKZXFBUCBE-NWDGAFQWSA-N 3 0 269.393 -1.395 20 0 CAADRP N[C@]1(C(=O)NCCN(CC[NH3+])N(O)N=O)CCC[NH2+]C1 ZINC001220903694 780394710 /nfs/dbraw/zinc/39/47/10/780394710.db2.gz XSAGJTWLCIUZHT-SNVBAGLBSA-N 2 0 289.340 -2.268 20 0 CAADRP C[C@H]([NH3+])C(=O)N[C@H](CCC(=O)N[C@H]1CCC[NH2+]C1)C(N)=O ZINC001220889443 780394866 /nfs/dbraw/zinc/39/48/66/780394866.db2.gz KXUKMZLTIOZGPG-LPEHRKFASA-N 2 0 299.375 -2.048 20 0 CAADRP [NH3+]CCN(CCNC(=O)C[C@H]1COCC[NH2+]1)N(O)N=O ZINC001220903103 780394881 /nfs/dbraw/zinc/39/48/81/780394881.db2.gz LLRVHQHWQRMRSG-VIFPVBQESA-N 2 0 290.324 -1.971 20 0 CAADRP C[C@H]([NH3+])C(=O)N[C@H](CCC(=O)N[C@@H]1CCC[NH2+]C1)C(N)=O ZINC001220889438 780394894 /nfs/dbraw/zinc/39/48/94/780394894.db2.gz KXUKMZLTIOZGPG-IVZWLZJFSA-N 2 0 299.375 -2.048 20 0 CAADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC001220889248 780394909 /nfs/dbraw/zinc/39/49/09/780394909.db2.gz GQXBGKZXFBUCBE-NEPJUHHUSA-N 3 0 269.393 -1.395 20 0 CAADRP [NH3+]CCN(CCNC(=O)[C@@H]1C[C@@H]([NH3+])CN1)N(O)N=O ZINC001220903318 780395066 /nfs/dbraw/zinc/39/50/66/780395066.db2.gz PQWJNMWDNJKMRI-SFYZADRCSA-N 2 0 275.313 -2.660 20 0 CAADRP [NH3+]CCN(CCNC(=O)C1CC2(C[NH2+]C2)C1)N(O)N=O ZINC001220900180 780395116 /nfs/dbraw/zinc/39/51/16/780395116.db2.gz CPTKWWIEXLOQMI-UHFFFAOYSA-N 2 0 286.336 -1.350 20 0 CAADRP O=C(C[C@H]1COCC[NH2+]1)NCCO[C@@H]1CC[NH2+]C1 ZINC001220936588 780395955 /nfs/dbraw/zinc/39/59/55/780395955.db2.gz HVDYPDRBMBBIOM-WDEREUQCSA-N 2 0 257.334 -1.140 20 0 CAADRP [NH3+][C@H]1CCCCN(CC(=O)NCCO[C@@H]2CC[NH2+]C2)C1=O ZINC001220937377 780395999 /nfs/dbraw/zinc/39/59/99/780395999.db2.gz QGDZFYXRQZFWSY-NEPJUHHUSA-N 2 0 298.387 -1.179 20 0 CAADRP O=C(C[C@H]1COCC[NH2+]1)NCCO[C@H]1CC[NH2+]C1 ZINC001220936587 780396282 /nfs/dbraw/zinc/39/62/82/780396282.db2.gz HVDYPDRBMBBIOM-QWRGUYRKSA-N 2 0 257.334 -1.140 20 0 CAADRP O=C(C[C@@H]1COCC[NH2+]1)NCCO[C@H]1CC[NH2+]C1 ZINC001220936586 780396823 /nfs/dbraw/zinc/39/68/23/780396823.db2.gz HVDYPDRBMBBIOM-MNOVXSKESA-N 2 0 257.334 -1.140 20 0 CAADRP O=C(CNC1CC[NH2+]CC1)NCCO[C@H]1CC[NH2+]C1 ZINC001220937290 780396893 /nfs/dbraw/zinc/39/68/93/780396893.db2.gz NUSQHLCBOQYONR-LBPRGKRZSA-N 2 0 270.377 -1.177 20 0 CAADRP NC1(C(=O)NCCO[C@H]2CC[NH2+]C2)CC[NH2+]CC1 ZINC001220936566 780397052 /nfs/dbraw/zinc/39/70/52/780397052.db2.gz HGSAHNRJBKERBP-JTQLQIEISA-N 2 0 256.350 -1.438 20 0 CAADRP N=c1ncc(C[NH3+])cn1C(=O)[C@H]1COC2(C[NH2+]C2)CN1 ZINC001220951108 780398160 /nfs/dbraw/zinc/39/81/60/780398160.db2.gz QCDZURILQDBLKN-SECBINFHSA-N 2 0 278.316 -2.208 20 0 CAADRP N=c1ncc(C[NH3+])cn1C(=O)[C@]12C[NH2+]C[C@H]1CCN2 ZINC001220951424 780398177 /nfs/dbraw/zinc/39/81/77/780398177.db2.gz ZYWGKZQUVCYQQF-SKDRFNHKSA-N 2 0 262.317 -1.587 20 0 CAADRP NC(=O)NCCC[C@@H]([NH3+])C(=O)NCCO[C@@H]1CC[NH2+]C1 ZINC001220937479 780398765 /nfs/dbraw/zinc/39/87/65/780398765.db2.gz SNONKEHNDZHIBY-NXEZZACHSA-N 2 0 287.364 -1.743 20 0 CAADRP N=c1ncc(C[NH3+])cn1C(=O)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220950969 780398935 /nfs/dbraw/zinc/39/89/35/780398935.db2.gz MCWAPGSVAOOLET-SECBINFHSA-N 3 0 262.317 -1.730 20 0 CAADRP O=C(CN1CC[NH2+]CC1)NCCO[C@H]1CC[NH2+]C1 ZINC001220937516 780399617 /nfs/dbraw/zinc/39/96/17/780399617.db2.gz UBYYNGQLWJXJIY-NSHDSACASA-N 2 0 256.350 -1.614 20 0 CAADRP N=c1ncc(C[NH3+])cn1C(=O)[C@]1(N)CCC[NH2+]C1 ZINC001220950633 780399628 /nfs/dbraw/zinc/39/96/28/780399628.db2.gz APOVPRUPZQBXHI-NSHDSACASA-N 2 0 250.306 -1.458 20 0 CAADRP C[NH+](C)CC(=O)N[C@H]1CC[C@H](NC(=O)CNCC[NH3+])CC1 ZINC001221006977 780401964 /nfs/dbraw/zinc/40/19/64/780401964.db2.gz QIPACMSZTCNRTK-HAQNSBGRSA-N 2 0 299.419 -1.360 20 0 CAADRP COC(=O)CC[C@H](NC(=O)[C@@H]([NH3+])CCC[NH3+])C(N)=O ZINC001221018349 780402100 /nfs/dbraw/zinc/40/21/00/780402100.db2.gz AQVDWPCEZGPHEI-YUMQZZPRSA-N 2 0 274.321 -2.024 20 0 CAADRP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@H+](C[C@@H](C)O)C[C@@H]1O ZINC001221089676 780404494 /nfs/dbraw/zinc/40/44/94/780404494.db2.gz MACLMMFWXSUYTQ-UTUOFQBUSA-N 2 0 273.377 -1.131 20 0 CAADRP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[NH+](CCCO)C[C@@H]1O ZINC001221091259 780404562 /nfs/dbraw/zinc/40/45/62/780404562.db2.gz HWANIJFEHSNSFV-NEPJUHHUSA-N 2 0 273.377 -1.130 20 0 CAADRP COCCC1([NH3+])CCN(C(=O)[C@@H]2C[NH2+]CCN2)CC1 ZINC001221136022 780404578 /nfs/dbraw/zinc/40/45/78/780404578.db2.gz IVKRSIHMOYXNMY-NSHDSACASA-N 2 0 270.377 -1.096 20 0 CAADRP COC(=O)[C@H](CCC[NH3+])NC(=O)[C@H]([NH3+])C1CC[NH2+]CC1 ZINC001221190727 780407066 /nfs/dbraw/zinc/40/70/66/780407066.db2.gz ZRDIQVYZWZQSJI-WDEREUQCSA-N 3 0 286.376 -1.290 20 0 CAADRP C[N@@H+]1CCC[C@@](C)(NC(=O)[C@@H]2COC3(C[NH2+]C3)CN2)C1 ZINC001221240827 780407209 /nfs/dbraw/zinc/40/72/09/780407209.db2.gz DKEPLOZLWJQYFZ-WCQYABFASA-N 2 0 282.388 -1.083 20 0 CAADRP COC(=O)[C@H](CCC[NH3+])NC(=O)C[C@@H]1COCC[NH2+]1 ZINC001221190687 780407244 /nfs/dbraw/zinc/40/72/44/780407244.db2.gz YGWQHIUEGHIQCR-ZJUUUORDSA-N 2 0 273.333 -1.238 20 0 CAADRP C[C@@]1([NH3+])C[C@H](NC(=O)[C@@H]2CCCN2C(=O)C[NH3+])C1 ZINC001221238640 780407319 /nfs/dbraw/zinc/40/73/19/780407319.db2.gz AXUJYKLRQDISJN-HOTUBEGUSA-N 2 0 254.334 -1.068 20 0 CAADRP COC(=O)[C@H](CCC[NH3+])NC(=O)C[NH2+]CCC[NH3+] ZINC001221190622 780407344 /nfs/dbraw/zinc/40/73/44/780407344.db2.gz VVFOMXKGNVSWRQ-VIFPVBQESA-N 3 0 260.338 -1.679 20 0 CAADRP C[N@@H+]1CCC[C@](C)(NC(=O)[C@@H]2COC3(C[NH2+]C3)CN2)C1 ZINC001221240825 780407386 /nfs/dbraw/zinc/40/73/86/780407386.db2.gz DKEPLOZLWJQYFZ-AAEUAGOBSA-N 2 0 282.388 -1.083 20 0 CAADRP COC(=O)[C@H](CCC[NH3+])NC(=O)[C@@H]1C[NH2+]CCN1 ZINC001221190661 780407457 /nfs/dbraw/zinc/40/74/57/780407457.db2.gz XJVHWYUUWXKWKE-IUCAKERBSA-N 2 0 258.322 -2.056 20 0 CAADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)NC1CN(C2COC2)C1 ZINC001221246033 780408390 /nfs/dbraw/zinc/40/83/90/780408390.db2.gz MURUWPQZPVXJKZ-LBPRGKRZSA-N 2 0 270.377 -1.097 20 0 CAADRP [NH3+][C@@H](C(=O)NC1CN(C2COC2)C1)C1CC[NH2+]CC1 ZINC001221246084 780408797 /nfs/dbraw/zinc/40/87/97/780408797.db2.gz OUXXLDDGDCGHQC-GFCCVEGCSA-N 2 0 268.361 -1.488 20 0 CAADRP C[NH+](C)CCCC[C@H]([NH3+])C(=O)N1CN[C@H](N)[C@@H]2NCN[C@@H]21 ZINC001221266112 780411100 /nfs/dbraw/zinc/41/11/00/780411100.db2.gz SJSMAHGCUJRQSF-FIQHERPVSA-N 2 0 299.423 -2.435 20 0 CAADRP C[NH+](C)CCCC[C@H]([NH3+])C(=O)N1CN[C@H](N)[C@H]2NCN[C@@H]21 ZINC001221266114 780411498 /nfs/dbraw/zinc/41/14/98/780411498.db2.gz SJSMAHGCUJRQSF-WHOHXGKFSA-N 2 0 299.423 -2.435 20 0 CAADRP C[NH+](C)CCCC[C@H]([NH3+])C(=O)N1CN[C@H](N)[C@H]2NCN[C@H]21 ZINC001221266113 780411518 /nfs/dbraw/zinc/41/15/18/780411518.db2.gz SJSMAHGCUJRQSF-USZNOCQGSA-N 2 0 299.423 -2.435 20 0 CAADRP C[NH+](C)CCCC[C@H]([NH3+])C(=O)N1CN[C@H](N)[C@@H]2NCN[C@H]21 ZINC001221266108 780411952 /nfs/dbraw/zinc/41/19/52/780411952.db2.gz SJSMAHGCUJRQSF-BJDJZHNGSA-N 2 0 299.423 -2.435 20 0 CAADRP Nc1cn(C(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)c(N)nc1=O ZINC001221328845 780414541 /nfs/dbraw/zinc/41/45/41/780414541.db2.gz GONKYBGOMXUVDS-ZCFIWIBFSA-N 2 0 264.289 -1.900 20 0 CAADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)NC1=CC(=O)NCC1 ZINC001221317085 780414656 /nfs/dbraw/zinc/41/46/56/780414656.db2.gz VHUOPDOTEFRXGG-LLVKDONJSA-N 2 0 281.360 -1.743 20 0 CAADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)NC1=CCOC1=O ZINC001221328814 780414718 /nfs/dbraw/zinc/41/47/18/780414718.db2.gz OJXURGDAOSVKDI-VIFPVBQESA-N 2 0 268.317 -1.706 20 0 CAADRP [NH3+]CCC[C@H]([NH3+])C(=O)NCCN1CCCS1(=O)=O ZINC001221336060 780415518 /nfs/dbraw/zinc/41/55/18/780415518.db2.gz IZOJNCSBNMEHFC-VIFPVBQESA-N 2 0 278.378 -1.796 20 0 CAADRP [NH3+]CCCCNC(=O)[C@H]1Cn2nnnc2C12CC[NH2+]CC2 ZINC001221344127 780415937 /nfs/dbraw/zinc/41/59/37/780415937.db2.gz VJRAEVGVFPDQDN-SNVBAGLBSA-N 2 0 293.375 -1.221 20 0 CAADRP [NH3+]CCCC[C@H]([NH3+])C(=O)NCCN1CCCS1(=O)=O ZINC001221338099 780415982 /nfs/dbraw/zinc/41/59/82/780415982.db2.gz XRXFQWZYWJBNQX-JTQLQIEISA-N 2 0 292.405 -1.406 20 0 CAADRP [NH3+]CCCCNC(=O)[C@@H]1CCS(=O)(=O)C12C[NH2+]C2 ZINC001221345491 780416222 /nfs/dbraw/zinc/41/62/22/780416222.db2.gz ZQQXDSBSNFTNRJ-VIFPVBQESA-N 2 0 275.374 -1.382 20 0 CAADRP [NH3+]CCCCNC(=O)[C@@H]1CNC(=O)C12CC[NH2+]CC2 ZINC001221345322 780416235 /nfs/dbraw/zinc/41/62/35/780416235.db2.gz WQZONRTWQCBILF-JTQLQIEISA-N 2 0 268.361 -1.043 20 0 CAADRP [NH3+]CCCCNC(=O)[C@@H]1Cn2nnnc2C12CC[NH2+]CC2 ZINC001221344119 780416238 /nfs/dbraw/zinc/41/62/38/780416238.db2.gz VJRAEVGVFPDQDN-JTQLQIEISA-N 2 0 293.375 -1.221 20 0 CAADRP [NH3+]CCSC[C@H]([NH3+])C(=O)N[C@@H]1C[NH2+]CC[C@H]1F ZINC001221365630 780416950 /nfs/dbraw/zinc/41/69/50/780416950.db2.gz GLAGDPBRJBFHRI-HRDYMLBCSA-N 3 0 264.370 -1.178 20 0 CAADRP O=C(N[C@@H]1C[NH2+]CC[C@H]1F)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001221367199 780417026 /nfs/dbraw/zinc/41/70/26/780417026.db2.gz NABRSGJXMODLAE-OPRDCNLKSA-N 3 0 256.325 -1.388 20 0 CAADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)NC[C@@H]1CNC(=O)O1 ZINC001221369063 780417116 /nfs/dbraw/zinc/41/71/16/780417116.db2.gz JPQLXCHKMGKKMU-BDAKNGLRSA-N 2 0 258.322 -1.072 20 0 CAADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)N[C@@H]1C[NH2+]CC[C@H]1F ZINC001221365404 780417138 /nfs/dbraw/zinc/41/71/38/780417138.db2.gz AXYFTAVJUJSCDO-GRYCIOLGSA-N 3 0 287.383 -1.447 20 0 CAADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)N[C@@H]1C[NH2+]CC[C@H]1F ZINC001221365405 780417262 /nfs/dbraw/zinc/41/72/62/780417262.db2.gz AXYFTAVJUJSCDO-IJLUTSLNSA-N 3 0 287.383 -1.447 20 0 CAADRP O=C(NC[C@H]1CNC(=O)O1)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001221368110 780417302 /nfs/dbraw/zinc/41/73/02/780417302.db2.gz CZXFPBDVMLIQFB-YUMQZZPRSA-N 2 0 254.290 -1.980 20 0 CAADRP C[S@@](=O)CC[C@H]([NH3+])C(=O)N[C@@H]1C[NH2+]CC[C@H]1F ZINC001221367240 780417351 /nfs/dbraw/zinc/41/73/51/780417351.db2.gz OINXUEICACZBRF-HZHIYPOLSA-N 2 0 265.354 -1.102 20 0 CAADRP O=C(N[C@@H]1C[NH2+]CC[C@H]1F)[C@@H]1COC2(C[NH2+]C2)CN1 ZINC001221367300 780417365 /nfs/dbraw/zinc/41/73/65/780417365.db2.gz PMFGHTFPZUCHIE-BBBLOLIVSA-N 2 0 272.324 -1.867 20 0 CAADRP O=C(NC[C@@H]1CNC(=O)O1)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001221368109 780417402 /nfs/dbraw/zinc/41/74/02/780417402.db2.gz CZXFPBDVMLIQFB-SFYZADRCSA-N 2 0 254.290 -1.980 20 0 CAADRP O=C(NC[C@@H]1CNC(=O)O1)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001221368107 780417418 /nfs/dbraw/zinc/41/74/18/780417418.db2.gz CZXFPBDVMLIQFB-HTQZYQBOSA-N 2 0 254.290 -1.980 20 0 CAADRP CC1(C)C(=O)NC[C@@H]1NC(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001221367700 780417444 /nfs/dbraw/zinc/41/74/44/780417444.db2.gz AJVKZMCBVYKTHP-IUCAKERBSA-N 2 0 266.345 -1.564 20 0 CAADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)NC[C@H]1CNC(=O)O1 ZINC001221369066 780417544 /nfs/dbraw/zinc/41/75/44/780417544.db2.gz JPQLXCHKMGKKMU-IUCAKERBSA-N 2 0 258.322 -1.072 20 0 CAADRP O=C(NC[C@H]1CNC(=O)O1)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001221368909 780417558 /nfs/dbraw/zinc/41/75/58/780417558.db2.gz INOCCZWRVQCSET-VDDIYKPWSA-N 2 0 268.317 -1.590 20 0 CAADRP [NH3+][C@H](C(=O)NC[C@@H]1CNC(=O)O1)C1CC[NH2+]CC1 ZINC001221370787 780418648 /nfs/dbraw/zinc/41/86/48/780418648.db2.gz UIVVVIVEOASPGY-BDAKNGLRSA-N 2 0 256.306 -1.462 20 0 CAADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)NC[C@H]1CNC(=O)O1 ZINC001221370835 780419266 /nfs/dbraw/zinc/41/92/66/780419266.db2.gz UPHDTKFZMXOPHA-UWVGGRQHSA-N 2 0 285.348 -2.039 20 0 CAADRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001221389151 780419306 /nfs/dbraw/zinc/41/93/06/780419306.db2.gz ICMOEFXHGVRDDY-LLVKDONJSA-N 4 0 296.419 -1.141 20 0 CAADRP C[NH+]1CCC(CO)(NC(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)CC1 ZINC001221403744 780419861 /nfs/dbraw/zinc/41/98/61/780419861.db2.gz WQEDWKXMBHIXNN-IUODEOHRSA-N 3 0 296.415 -1.242 20 0 CAADRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)CNCC[NH3+] ZINC001221392088 780419871 /nfs/dbraw/zinc/41/98/71/780419871.db2.gz SAOBEEUKESEISE-UHFFFAOYSA-N 3 0 258.370 -1.401 20 0 CAADRP C[NH+]1CCC(CO)(NC(=O)[C@@H]2C[NH2+]C[C@H]2O)CC1 ZINC001221402695 780420068 /nfs/dbraw/zinc/42/00/68/780420068.db2.gz KLPCCATUPFEDGN-NXEZZACHSA-N 2 0 257.334 -1.860 20 0 CAADRP C[NH+]1CCC(CO)(NC(=O)C2(N)CC[NH2+]CC2)CC1 ZINC001221402603 780420258 /nfs/dbraw/zinc/42/02/58/780420258.db2.gz JMVXEFTVIMHCCZ-UHFFFAOYSA-N 2 0 270.377 -1.360 20 0 CAADRP C[NH+]1CCC(CO)(NC(=O)[C@H]2C[NH2+]C[C@@H]2O)CC1 ZINC001221402696 780420396 /nfs/dbraw/zinc/42/03/96/780420396.db2.gz KLPCCATUPFEDGN-UWVGGRQHSA-N 2 0 257.334 -1.860 20 0 CAADRP C[NH+]1CCC(CO)(NC(=O)[C@@H]([NH3+])CCC[NH3+])CC1 ZINC001221402281 780420420 /nfs/dbraw/zinc/42/04/20/780420420.db2.gz BUFDTWYQYZFZFK-JTQLQIEISA-N 3 0 258.366 -1.375 20 0 CAADRP C[NH+]1CCC(CO)(NC(=O)[C@H]([NH3+])C2CC[NH2+]CC2)CC1 ZINC001221402927 780420525 /nfs/dbraw/zinc/42/05/25/780420525.db2.gz NTRPKFFHRFVMFG-GFCCVEGCSA-N 3 0 284.404 -1.114 20 0 CAADRP C[NH+]1CCC(CO)(NC(=O)[C@]23C[NH2+]C[C@@H]2CCN3)CC1 ZINC001221402374 780420614 /nfs/dbraw/zinc/42/06/14/780420614.db2.gz FHNPCBPSKXAJAJ-FZMZJTMJSA-N 2 0 282.388 -1.489 20 0 CAADRP C[NH+]1CCC(CO)(NC(=O)[C@]23C[NH2+]C[C@H]2CCN3)CC1 ZINC001221402375 780420656 /nfs/dbraw/zinc/42/06/56/780420656.db2.gz FHNPCBPSKXAJAJ-RISCZKNCSA-N 2 0 282.388 -1.489 20 0 CAADRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)[C@H]1[NH2+]CC[C@H]1O ZINC001221391663 780420678 /nfs/dbraw/zinc/42/06/78/780420678.db2.gz OKNLSCKZCUTZGU-ZJUUUORDSA-N 3 0 271.365 -1.227 20 0 CAADRP C[NH+]1CCC(CO)(NC(=O)[C@@]23C[NH2+]C[C@H]2CCN3)CC1 ZINC001221402373 780420706 /nfs/dbraw/zinc/42/07/06/780420706.db2.gz FHNPCBPSKXAJAJ-BXUZGUMPSA-N 2 0 282.388 -1.489 20 0 CAADRP C[NH+]1CCC(CO)(NC(=O)[C@@H]2C[NH2+]CCN2)CC1 ZINC001221404927 780420764 /nfs/dbraw/zinc/42/07/64/780420764.db2.gz MUXYCRFTZQUTRR-JTQLQIEISA-N 2 0 256.350 -1.879 20 0 CAADRP Cn1cncc1C[C@H]([NH3+])C(=O)NC1(CO)CC[NH+](C)CC1 ZINC001221403094 780420773 /nfs/dbraw/zinc/42/07/73/780420773.db2.gz PRHCRQCOIJULOM-LBPRGKRZSA-N 2 0 295.387 -1.137 20 0 CAADRP C[NH+]1CCC(CO)(NC(=O)C[C@H]2COCC[NH2+]2)CC1 ZINC001221407465 780420810 /nfs/dbraw/zinc/42/08/10/780420810.db2.gz YRLFWHJADNCIAQ-NSHDSACASA-N 2 0 271.361 -1.062 20 0 CAADRP C[NH+]1CCC(CO)(NC(=O)C[C@@H]2COCC[NH2+]2)CC1 ZINC001221407464 780420844 /nfs/dbraw/zinc/42/08/44/780420844.db2.gz YRLFWHJADNCIAQ-LLVKDONJSA-N 2 0 271.361 -1.062 20 0 CAADRP C[NH+]1CCC(CO)(NC(=O)[C@@]23C[NH2+]C[C@@H]2CCN3)CC1 ZINC001221402376 780420861 /nfs/dbraw/zinc/42/08/61/780420861.db2.gz FHNPCBPSKXAJAJ-SMDDNHRTSA-N 2 0 282.388 -1.489 20 0 CAADRP C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N[C@H](C1CCC1)C1C[NH2+]C1 ZINC001221412926 780421963 /nfs/dbraw/zinc/42/19/63/780421963.db2.gz HJFBFXTXKSOPLJ-KPXOXKRLSA-N 2 0 298.387 -1.685 20 0 CAADRP C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)CNC(=O)C[NH3+] ZINC000720880589 780431729 /nfs/dbraw/zinc/43/17/29/780431729.db2.gz PGZVWDSBBQGWPV-VHSXEESVSA-N 2 0 254.334 -1.244 20 0 CAADRP [NH3+]CCCCNS(=O)(=O)C[C@@H]1C[NH2+]CCO1 ZINC000722212759 780489984 /nfs/dbraw/zinc/48/99/84/780489984.db2.gz ICNMDQXXKGDNJX-VIFPVBQESA-N 2 0 251.352 -1.367 20 0 CAADRP N[C@@H]1NC(CN2CC[NH2+]CCNCC[NH2+]CC2)=CS1 ZINC001235868522 780493448 /nfs/dbraw/zinc/49/34/48/780493448.db2.gz FPMSKTLBRCCPNL-GFCCVEGCSA-N 2 0 286.449 -1.509 20 0 CAADRP CN(C)C(=O)CN1CC[NH2+]CCNCC[NH2+]CC1 ZINC001235864376 780493462 /nfs/dbraw/zinc/49/34/62/780493462.db2.gz GAIRJOITJZAJOG-UHFFFAOYSA-N 2 0 257.382 -1.841 20 0 CAADRP C(CN1CC[NH2+]CCNCC[NH2+]CC1)N1CCOCC1 ZINC001235869920 780493508 /nfs/dbraw/zinc/49/35/08/780493508.db2.gz LMIYRTIPAMFBKV-UHFFFAOYSA-N 2 0 285.436 -1.597 20 0 CAADRP C([C@@H]1CC[NH2+]C1)N1CC[NH2+]CCNCC[NH2+]CC1 ZINC001235864935 780493687 /nfs/dbraw/zinc/49/36/87/780493687.db2.gz LCWMAMNYEYMVIB-CYBMUJFWSA-N 3 0 255.410 -1.320 20 0 CAADRP C([C@H]1CC[NH2+]C1)N1CC[NH2+]CCNCC[NH2+]CC1 ZINC001235864936 780493700 /nfs/dbraw/zinc/49/37/00/780493700.db2.gz LCWMAMNYEYMVIB-ZDUSSCGKSA-N 3 0 255.410 -1.320 20 0 CAADRP C(CN1CC[NH2+]CCNCC[NH2+]CC1)[C@@H]1C[NH2+]CCO1 ZINC001235870000 780494921 /nfs/dbraw/zinc/49/49/21/780494921.db2.gz MBEFRGLKTPUQBS-CQSZACIVSA-N 3 0 285.436 -1.551 20 0 CAADRP Cc1nonc1CN1CC[NH2+]CCNCC[NH2+]CC1 ZINC001235875530 780495240 /nfs/dbraw/zinc/49/52/40/780495240.db2.gz QUQFTKLHWPFZRD-UHFFFAOYSA-N 2 0 268.365 -1.038 20 0 CAADRP Nc1ncc(CN2CC[NH2+]CCNCC[NH2+]CC2)cn1 ZINC001235871390 780495254 /nfs/dbraw/zinc/49/52/54/780495254.db2.gz QPCASIAQFRPDAX-UHFFFAOYSA-N 2 0 279.392 -1.357 20 0 CAADRP C(CN1CC[NH2+]CCNCC[NH2+]CC1)[C@H]1C[NH2+]CCO1 ZINC001235869997 780495326 /nfs/dbraw/zinc/49/53/26/780495326.db2.gz MBEFRGLKTPUQBS-AWEZNQCLSA-N 3 0 285.436 -1.551 20 0 CAADRP CC1(C)[NH2+]C[C@@H](CN2CC[NH2+]CCNCC[NH2+]CC2)O1 ZINC001235871932 780495438 /nfs/dbraw/zinc/49/54/38/780495438.db2.gz ZKPUQMGWQJDEKV-ZDUSSCGKSA-N 3 0 285.436 -1.205 20 0 CAADRP C([C@@H]1CCC[NH2+]1)N1CC[NH2+]CCNCC[NH2+]CC1 ZINC001235871761 780495488 /nfs/dbraw/zinc/49/54/88/780495488.db2.gz WUGYBFWELGSGBC-ZDUSSCGKSA-N 3 0 255.410 -1.177 20 0 CAADRP c1n[nH]cc1CN1CC[NH2+]CCNCC[NH2+]CC1 ZINC001235869083 780495685 /nfs/dbraw/zinc/49/56/85/780495685.db2.gz JQKZPPNFZAOQQD-UHFFFAOYSA-N 2 0 252.366 -1.006 20 0 CAADRP C([C@H]1C[NH2+]CCO1)N1CC[NH2+]CCNCC[NH2+]CC1 ZINC001235871428 780495689 /nfs/dbraw/zinc/49/56/89/780495689.db2.gz UKDLQZCJLXHSHR-CYBMUJFWSA-N 3 0 271.409 -1.941 20 0 CAADRP CC1(C)O[C@@H]2O[C@@H](CN(CC[NH3+])CC[NH3+])[C@@H](O)[C@@H]2O1 ZINC001235877678 780495707 /nfs/dbraw/zinc/49/57/07/780495707.db2.gz SLWINGCIZINVNY-VLEAKVRGSA-N 2 0 275.349 -1.557 20 0 CAADRP COC(=O)[C@H]1CN(Cc2cnc3n2CC[NH2+]CC3)C[C@H]1[NH3+] ZINC001236342205 780496144 /nfs/dbraw/zinc/49/61/44/780496144.db2.gz JJKGRSQVHJDDQM-NWDGAFQWSA-N 2 0 293.371 -1.039 20 0 CAADRP [NH3+]CCCNC(=O)CN(CCC[NH3+])C[C@H]1CC[NH2+]C1 ZINC001236310231 780496317 /nfs/dbraw/zinc/49/63/17/780496317.db2.gz VZHJNLHFDIALHZ-LBPRGKRZSA-N 3 0 271.409 -1.288 20 0 CAADRP [NH3+]CCCNC(=O)CN(CCC[NH3+])C[C@@H]1COCC[NH2+]1 ZINC001236307540 780496335 /nfs/dbraw/zinc/49/63/35/780496335.db2.gz CIEPTFCBFLJMPP-GFCCVEGCSA-N 3 0 287.408 -1.909 20 0 CAADRP CC[C@H]([NH3+])CN(CCC[NH3+])CC(=O)NCCC[NH3+] ZINC001236310287 780496815 /nfs/dbraw/zinc/49/68/15/780496815.db2.gz WEOKBVHDGKPYDC-NSHDSACASA-N 3 0 259.398 -1.161 20 0 CAADRP CC[C@@H]([NH3+])CN(CCC[NH3+])CC(=O)NCCC[NH3+] ZINC001236310266 780496655 /nfs/dbraw/zinc/49/66/55/780496655.db2.gz WEOKBVHDGKPYDC-LLVKDONJSA-N 3 0 259.398 -1.161 20 0 CAADRP COC(=O)[C@@H]1CN(CC[C@H]2C[NH2+]CCO2)C[C@H]1[NH3+] ZINC001236346137 780496717 /nfs/dbraw/zinc/49/67/17/780496717.db2.gz WWHXLAKDUKVXPX-HBNTYKKESA-N 2 0 257.334 -1.203 20 0 CAADRP COC(=O)[C@@H]1CN(CC[C@H]2C[NH2+]CCO2)C[C@@H]1[NH3+] ZINC001236346135 780496974 /nfs/dbraw/zinc/49/69/74/780496974.db2.gz WWHXLAKDUKVXPX-AXFHLTTASA-N 2 0 257.334 -1.203 20 0 CAADRP COC(=O)[C@@H]1CN(CC[C@@H]2C[NH2+]CCO2)C[C@H]1[NH3+] ZINC001236346136 780496998 /nfs/dbraw/zinc/49/69/98/780496998.db2.gz WWHXLAKDUKVXPX-GMTAPVOTSA-N 2 0 257.334 -1.203 20 0 CAADRP C[N@@H+]1CCC[C@H]1C(=O)NC[C@H](CO)[NH2+]CCCO ZINC001278054826 780501661 /nfs/dbraw/zinc/50/16/61/780501661.db2.gz WUOOKRVPAPDUKX-MNOVXSKESA-N 2 0 259.350 -1.470 20 0 CAADRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](CO)[NH2+]CCCO ZINC001278054825 780502185 /nfs/dbraw/zinc/50/21/85/780502185.db2.gz WUOOKRVPAPDUKX-GHMZBOCLSA-N 2 0 259.350 -1.470 20 0 CAADRP C[NH+]1CCC(C(=O)NC[C@H](CO)[NH2+]CCCO)CC1 ZINC001278147961 780509394 /nfs/dbraw/zinc/50/93/94/780509394.db2.gz PBFRBVXFTFASOC-GFCCVEGCSA-N 2 0 273.377 -1.223 20 0 CAADRP [NH3+][C@H]1COC[C@H]1NS(=O)(=O)CC1CC[NH2+]CC1 ZINC001238202212 780514445 /nfs/dbraw/zinc/51/44/45/780514445.db2.gz URJDNXZXSBIROR-VHSXEESVSA-N 2 0 263.363 -1.369 20 0 CAADRP CCOC1(OCC)CC[NH2+]C[C@@H]1NS(=O)(=O)CC[NH3+] ZINC001238182045 780514472 /nfs/dbraw/zinc/51/44/72/780514472.db2.gz MOBQVUZBQSQDHX-JTQLQIEISA-N 2 0 295.405 -1.004 20 0 CAADRP O=S(=O)(CC1CC[NH2+]CC1)N[C@@H]1C[NH2+]C[C@H]1O ZINC001238124522 780514782 /nfs/dbraw/zinc/51/47/82/780514782.db2.gz WRBPSVKQODZAHS-NXEZZACHSA-N 2 0 263.363 -1.762 20 0 CAADRP O=S(=O)(CC1CC[NH2+]CC1)NCCC1(O)C[NH2+]C1 ZINC001238157044 780514860 /nfs/dbraw/zinc/51/48/60/780514860.db2.gz MAFCXHRXDBJWAL-UHFFFAOYSA-N 2 0 277.390 -1.370 20 0 CAADRP [NH3+]CCS(=O)(=O)NC[C@@H]1CO[C@]2(C1)C[NH2+]CCOC2 ZINC001238328684 780516924 /nfs/dbraw/zinc/51/69/24/780516924.db2.gz TUDDUMBIVKODEL-GHMZBOCLSA-N 2 0 293.389 -1.740 20 0 CAADRP O=S(=O)(CC1CC[NH2+]CC1)N[C@H]1CO[C@@H]2C[NH2+]C[C@H]12 ZINC001238343982 780517081 /nfs/dbraw/zinc/51/70/81/780517081.db2.gz MYOFRXPMAAVJLL-GRYCIOLGSA-N 2 0 289.401 -1.108 20 0 CAADRP COC(=O)[C@H](CCCC[NH3+])NS(=O)(=O)[C@H]1CC[NH2+]C1 ZINC001238355274 780517138 /nfs/dbraw/zinc/51/71/38/780517138.db2.gz FHDFNWRKKUCEHU-UWVGGRQHSA-N 2 0 293.389 -1.062 20 0 CAADRP [NH3+]CCS(=O)(=O)NC[C@@H]1CC[C@@H]2[NH2+]CCO[C@H]12 ZINC001238329403 780517917 /nfs/dbraw/zinc/51/79/17/780517917.db2.gz XTEGGLRNJSSSIZ-LPEHRKFASA-N 2 0 263.363 -1.369 20 0 CAADRP C[N@H+](CCC[NH3+])CCCNS(=O)(=O)CC[NH3+] ZINC001238614538 780520544 /nfs/dbraw/zinc/52/05/44/780520544.db2.gz MDUWUAWNEHAAFH-UHFFFAOYSA-N 3 0 252.384 -1.465 20 0 CAADRP [NH3+]CCOCCOCCOCCNS(=O)(=O)CC[NH3+] ZINC001238615641 780520639 /nfs/dbraw/zinc/52/06/39/780520639.db2.gz XVIPNMVJLYRFTH-UHFFFAOYSA-N 2 0 299.393 -2.127 20 0 CAADRP O=S(=O)(CC1CC[NH2+]CC1)N[C@H]1C[NH2+]C[C@@H]1CO ZINC001238642699 780520699 /nfs/dbraw/zinc/52/06/99/780520699.db2.gz BTBAACXQLOLJAV-MNOVXSKESA-N 2 0 277.390 -1.514 20 0 CAADRP O=S(=O)(CC1CC[NH2+]CC1)N[C@H]1C[NH2+]C[C@H]1CO ZINC001238642702 780520759 /nfs/dbraw/zinc/52/07/59/780520759.db2.gz BTBAACXQLOLJAV-QWRGUYRKSA-N 2 0 277.390 -1.514 20 0 CAADRP COCC[NH+]1CCC(NS(=O)(=O)CC[NH3+])CC1 ZINC001238808737 780522816 /nfs/dbraw/zinc/52/28/16/780522816.db2.gz SKPSRGQCGIFVQM-UHFFFAOYSA-N 2 0 265.379 -1.025 20 0 CAADRP O=S(=O)(CC1CC[NH2+]CC1)NCC[NH2+]CCO ZINC001238818525 780523369 /nfs/dbraw/zinc/52/33/69/780523369.db2.gz LAVIEXAJYOXUHY-UHFFFAOYSA-N 2 0 265.379 -1.513 20 0 CAADRP [NH3+]CCS(=O)(=O)NC1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC001238811519 780523235 /nfs/dbraw/zinc/52/32/35/780523235.db2.gz IRRWCKUUTYPEQS-LLVKDONJSA-N 2 0 276.406 -1.309 20 0 CAADRP CCOC(=O)C1=C(NS(=O)(=O)[C@H]2CC[NH2+]C2)C[NH2+]C1 ZINC001238781635 780523260 /nfs/dbraw/zinc/52/32/60/780523260.db2.gz TVZBMZDGKZSDNT-QMMMGPOBSA-N 2 0 289.357 -1.312 20 0 CAADRP [NH3+]CCS(=O)(=O)NC1CCN([C@H]2CC[NH2+]C2)CC1 ZINC001238811522 780523341 /nfs/dbraw/zinc/52/33/41/780523341.db2.gz IRRWCKUUTYPEQS-NSHDSACASA-N 2 0 276.406 -1.309 20 0 CAADRP [NH3+]CCS(=O)(=O)N[C@H]1CCN(C2CC[NH2+]CC2)C1 ZINC001238812872 780523534 /nfs/dbraw/zinc/52/35/34/780523534.db2.gz QQWOKLYVCNMAHP-JTQLQIEISA-N 2 0 276.406 -1.309 20 0 CAADRP [NH3+]CCS(=O)(=O)N1CCOC[C@]2(CCC[NH2+]C2)C1 ZINC001239027161 780528540 /nfs/dbraw/zinc/52/85/40/780528540.db2.gz RAWUKAUBCZCRLK-NSHDSACASA-N 2 0 277.390 -1.023 20 0 CAADRP CN(C1CN(S(=O)(=O)CC[NH3+])C1)[C@@H]1CCOC1 ZINC001239097602 780529928 /nfs/dbraw/zinc/52/99/28/780529928.db2.gz JOPANOWXQDOUDS-SECBINFHSA-N 2 0 263.363 -1.320 20 0 CAADRP C[NH+](C)C[C@H]1COCCN1S(=O)(=O)CC[NH3+] ZINC001239110057 780531296 /nfs/dbraw/zinc/53/12/96/780531296.db2.gz CZDONHRDSXRVRH-VIFPVBQESA-N 2 0 251.352 -1.463 20 0 CAADRP C[NH+](C)C[C@@H]1COCCN1S(=O)(=O)CC[NH3+] ZINC001239110056 780531611 /nfs/dbraw/zinc/53/16/11/780531611.db2.gz CZDONHRDSXRVRH-SECBINFHSA-N 2 0 251.352 -1.463 20 0 CAADRP COC(=O)[C@@H]1C[C@H]([NH3+])CN1S(=O)(=O)CC[NH3+] ZINC001239120595 780531942 /nfs/dbraw/zinc/53/19/42/780531942.db2.gz FJUUJJDEXFGXAB-BQBZGAKWSA-N 2 0 251.308 -2.151 20 0 CAADRP COC(=O)[C@@H]1C[C@@H]([NH3+])CN1S(=O)(=O)C1CC[NH2+]CC1 ZINC001239121702 780531974 /nfs/dbraw/zinc/53/19/74/780531974.db2.gz SBXGYOBCAKPJFU-SCZZXKLOSA-N 2 0 291.373 -1.357 20 0 CAADRP COC(=O)[C@@]12CC[NH2+][C@@H]1CN(S(=O)(=O)CC[NH3+])CC2 ZINC001239171978 780534220 /nfs/dbraw/zinc/53/42/20/780534220.db2.gz DRYAMPSLERFBTQ-MWLCHTKSSA-N 2 0 291.373 -1.498 20 0 CAADRP [NH3+][C@@H]1CN(S(=O)(=O)CC2CC[NH2+]CC2)CC12COC2 ZINC001239175935 780534320 /nfs/dbraw/zinc/53/43/20/780534320.db2.gz XUKRMWHDVRTWSN-LLVKDONJSA-N 2 0 289.401 -1.025 20 0 CAADRP C[NH+](C)CCNC(=S)N[C@@]12CC[NH2+][C@H]1CC(=O)N2 ZINC001239366183 780535603 /nfs/dbraw/zinc/53/56/03/780535603.db2.gz IDDZJPWEAGACPB-KWQFWETISA-N 2 0 271.390 -1.410 20 0 CAADRP O=C1C[C@H]2[NH2+]CC[C@]2(NCC2(O)CC[NH2+]CC2)N1 ZINC001245987241 780538887 /nfs/dbraw/zinc/53/88/87/780538887.db2.gz XZWZFCMLAPBKLH-SKDRFNHKSA-N 2 0 254.334 -1.731 20 0 CAADRP O=C1C[C@@H]2[NH2+]CC[C@@]2(NC[C@]2(O)CCC[NH2+]C2)N1 ZINC001245985700 780539047 /nfs/dbraw/zinc/53/90/47/780539047.db2.gz SJYBLMXEOXWDMY-ZMLRMANQSA-N 2 0 254.334 -1.731 20 0 CAADRP O[C@H](CN[C@@H]1CC12C[NH2+]C2)CC1(O)CC[NH2+]CC1 ZINC001246010358 780539076 /nfs/dbraw/zinc/53/90/76/780539076.db2.gz MTSLAGXJTPUARV-WDEREUQCSA-N 2 0 255.362 -1.197 20 0 CAADRP COC(=O)[C@H](O)C[NH2+]C1CN(C2CC[NH2+]CC2)C1 ZINC001245989019 780539145 /nfs/dbraw/zinc/53/91/45/780539145.db2.gz KHJAZMAEHKEEGY-LLVKDONJSA-N 2 0 257.334 -1.454 20 0 CAADRP NC(=O)[C@@H]([NH3+])CCCC[NH2+]CC1(O)CC[NH2+]CC1 ZINC001246007249 780539319 /nfs/dbraw/zinc/53/93/19/780539319.db2.gz JICOOBLSGJKNNM-JTQLQIEISA-N 3 0 258.366 -1.327 20 0 CAADRP [NH3+][C@@H]1CN(C[C@H](O)CC2(O)CC[NH2+]CC2)C[C@H]1O ZINC001246020441 780539398 /nfs/dbraw/zinc/53/93/98/780539398.db2.gz LLWFOLXOSFQCOZ-GMTAPVOTSA-N 2 0 259.350 -2.144 20 0 CAADRP [NH3+][C@H]1CN(C[C@H](O)CC2(O)CC[NH2+]CC2)C[C@H]1F ZINC001246014584 780539537 /nfs/dbraw/zinc/53/95/37/780539537.db2.gz PJCOCQCVOYQXIV-MXWKQRLJSA-N 2 0 261.341 -1.167 20 0 CAADRP [NH3+][C@@H]1CN(C[C@@H](O)CC2(O)CC[NH2+]CC2)C[C@H]1O ZINC001246020442 780539592 /nfs/dbraw/zinc/53/95/92/780539592.db2.gz LLWFOLXOSFQCOZ-HBNTYKKESA-N 2 0 259.350 -2.144 20 0 CAADRP CCOC(=O)C1=C(NC[C@@]2(O)CC[NH2+]C2)C[NH2+]C1 ZINC001246011231 780539684 /nfs/dbraw/zinc/53/96/84/780539684.db2.gz PUOWGDMPFFWWFK-GFCCVEGCSA-N 2 0 255.318 -1.279 20 0 CAADRP O[C@@]1(CNC2CN(C3CC[NH2+]CC3)C2)CC[NH2+]C1 ZINC001245985288 780539764 /nfs/dbraw/zinc/53/97/64/780539764.db2.gz AUOHHUYYFGBXJZ-ZDUSSCGKSA-N 2 0 254.378 -1.263 20 0 CAADRP COC(=O)[C@H](CCC[NH3+])NCC1(O)CC[NH2+]CC1 ZINC001246004044 780539836 /nfs/dbraw/zinc/53/98/36/780539836.db2.gz AMUKOKUVQDBROM-JTQLQIEISA-N 2 0 259.350 -1.029 20 0 CAADRP O[C@H](CN[C@H]1CC12C[NH2+]C2)CC1(O)CC[NH2+]CC1 ZINC001246010356 780539909 /nfs/dbraw/zinc/53/99/09/780539909.db2.gz MTSLAGXJTPUARV-QWRGUYRKSA-N 2 0 255.362 -1.197 20 0 CAADRP O[C@@H](C[NH2+]C1CN(C2CC[NH2+]CC2)C1)CN1CCOCC1 ZINC001245987125 780540036 /nfs/dbraw/zinc/54/00/36/780540036.db2.gz CFUBSXYSEPVIKX-HNNXBMFYSA-N 2 0 298.431 -1.295 20 0 CAADRP O[C@]1(CN2CCN[C@@]3(CC[NH2+]C3)C2)CCC[NH2+]C1 ZINC001246028453 780540509 /nfs/dbraw/zinc/54/05/09/780540509.db2.gz SCCSVZACPWORLF-CHWSQXEVSA-N 2 0 254.378 -1.262 20 0 CAADRP O[C@@]1(CN2CCNC[C@]23CC[NH2+]C3)CCC[NH2+]C1 ZINC001246025311 780540583 /nfs/dbraw/zinc/54/05/83/780540583.db2.gz HEDZHYOIHQDSPM-OLZOCXBDSA-N 2 0 254.378 -1.262 20 0 CAADRP O[C@@H](CN1CCNC[C@]12CC[NH2+]C2)CC1(O)CC[NH2+]CC1 ZINC001246024305 780540627 /nfs/dbraw/zinc/54/06/27/780540627.db2.gz DZROGQPBMVYMKV-ZIAGYGMSSA-N 2 0 298.431 -1.511 20 0 CAADRP OC1(CN2CCNC[C@]23CC[NH2+]C3)CC[NH2+]CC1 ZINC001246027515 780540657 /nfs/dbraw/zinc/54/06/57/780540657.db2.gz KUENCGZFYVGJNH-GFCCVEGCSA-N 2 0 254.378 -1.262 20 0 CAADRP O[C@@H](CN1CCN[C@]2(CC[NH2+]C2)C1)CC1(O)CC[NH2+]CC1 ZINC001246023447 780540702 /nfs/dbraw/zinc/54/07/02/780540702.db2.gz DQOFPLGZAPREJS-KGLIPLIRSA-N 2 0 298.431 -1.511 20 0 CAADRP COC(=O)[C@H]1C[N@H+](CC2(O)CC[NH2+]CC2)C[C@H]1N ZINC001246049443 780540803 /nfs/dbraw/zinc/54/08/03/780540803.db2.gz AYYYDKYRRMFKAH-VHSXEESVSA-N 2 0 257.334 -1.467 20 0 CAADRP O[C@]1(CN2CCN[C@]3(CC[NH2+]C3)C2)CCC[NH2+]C1 ZINC001246028459 780540902 /nfs/dbraw/zinc/54/09/02/780540902.db2.gz SCCSVZACPWORLF-QWHCGFSZSA-N 2 0 254.378 -1.262 20 0 CAADRP [NH3+]C[C@H]1C[N@H+](C[C@@H](O)CN2CCOCC2)C[C@H]1O ZINC001246025968 780540943 /nfs/dbraw/zinc/54/09/43/780540943.db2.gz YNKZSTSLJHANPK-SDDRHHMPSA-N 2 0 259.350 -2.069 20 0 CAADRP [NH3+][C@@H]1CN(C[C@H](O)CC2(O)CC[NH2+]CC2)CC[C@H]1O ZINC001246035870 780541307 /nfs/dbraw/zinc/54/13/07/780541307.db2.gz ZHDHSQJGSVQSSP-IJLUTSLNSA-N 2 0 273.377 -1.754 20 0 CAADRP OC1(C[N@@H+]2CCN[C@]3(CC[NH2+]C3)C2)CC[NH2+]CC1 ZINC001246026913 780541751 /nfs/dbraw/zinc/54/17/51/780541751.db2.gz OFTDERKTBYAVHZ-LBPRGKRZSA-N 3 0 254.378 -1.262 20 0 CAADRP [NH3+][C@]12C[C@H]1CN(C[C@H](O)CC1(O)CC[NH2+]CC1)C2 ZINC001246048549 780541771 /nfs/dbraw/zinc/54/17/71/780541771.db2.gz YTOQVTVXHWCEGE-LOWVWBTDSA-N 2 0 255.362 -1.115 20 0 CAADRP CCCOC[C@@H](O)CN1CC[NH2+]CCNCC[NH2+]CC1 ZINC001246057059 780542418 /nfs/dbraw/zinc/54/24/18/780542418.db2.gz RPASHFSTKFPUHX-AWEZNQCLSA-N 2 0 288.436 -1.142 20 0 CAADRP CCOC[C@H](O)CN1CC[NH2+]CCNCC[NH2+]CC1 ZINC001246058543 780542680 /nfs/dbraw/zinc/54/26/80/780542680.db2.gz WSJDSEJYWQZOFQ-CYBMUJFWSA-N 2 0 274.409 -1.532 20 0 CAADRP O[C@H](CN1C[C@H]2C[NH2+]C[C@@H]21)CC1(O)CC[NH2+]CC1 ZINC001246053327 780542736 /nfs/dbraw/zinc/54/27/36/780542736.db2.gz NSQJFBZOSKTSLV-WOPDTQHZSA-N 2 0 255.362 -1.245 20 0 CAADRP [NH3+]CCN(CC[NH3+])C[C@@H](O)CC1(O)CC[NH2+]CC1 ZINC001246057977 780542756 /nfs/dbraw/zinc/54/27/56/780542756.db2.gz UAIFOENCGHPOPW-NSHDSACASA-N 3 0 260.382 -1.929 20 0 CAADRP OC1(C[NH+]2CCNCC[NH2+]CCNCC2)CCOCC1 ZINC001246059178 780542918 /nfs/dbraw/zinc/54/29/18/780542918.db2.gz ZDYUQEZNFJIHFD-UHFFFAOYSA-N 2 0 286.420 -1.388 20 0 CAADRP C[C@@H](CN1CC[NH2+]CC1)[NH2+][C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246078037 780543012 /nfs/dbraw/zinc/54/30/12/780543012.db2.gz HGSHXDAJYJXSMO-QWHCGFSZSA-N 3 0 267.421 -1.036 20 0 CAADRP O[C@H](CN1C[C@H]2C[NH2+]C[C@H]21)CC1(O)CC[NH2+]CC1 ZINC001246053319 780543109 /nfs/dbraw/zinc/54/31/09/780543109.db2.gz NSQJFBZOSKTSLV-GRYCIOLGSA-N 2 0 255.362 -1.245 20 0 CAADRP C([NH2+][C@@H]1CCNC2(C[NH2+]C2)C1)[C@H]1C[C@H]2C[NH2+]CCN2C1 ZINC001246124282 780543884 /nfs/dbraw/zinc/54/38/84/780543884.db2.gz ABAOCRPGVMDUBW-MCIONIFRSA-N 3 0 279.432 -1.036 20 0 CAADRP COC(=O)[C@@H]1C[C@@H]([NH2+]CCN2CC[NH2+]CC2)CN1 ZINC001246119512 780544029 /nfs/dbraw/zinc/54/40/29/780544029.db2.gz FXJZBGDZXWVUHX-MNOVXSKESA-N 2 0 256.350 -1.615 20 0 CAADRP COC(=O)[C@@H]1C[C@H]([NH2+]C[C@@H]2COC3(C[NH2+]C3)C2)CN1 ZINC001246132865 780544256 /nfs/dbraw/zinc/54/42/56/780544256.db2.gz INRNZDKFLZDVBC-VWYCJHECSA-N 2 0 269.345 -1.142 20 0 CAADRP COC(=O)[C@@H]1CC[C@H]([NH2+]CCC2(O)C[NH2+]C2)CN1 ZINC001246119113 780544425 /nfs/dbraw/zinc/54/44/25/780544425.db2.gz VIXNJSCSXYXMFX-UWVGGRQHSA-N 2 0 257.334 -1.406 20 0 CAADRP C([NH2+][C@@H]1CCNC2(C[NH2+]C2)C1)c1nnc2n1CCC[NH2+]C2 ZINC001246128407 780544536 /nfs/dbraw/zinc/54/45/36/780544536.db2.gz CMLMYRSCPHLBRI-LLVKDONJSA-N 3 0 291.403 -1.045 20 0 CAADRP CS(=O)(=O)N(CC[NH3+])[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246087589 780544588 /nfs/dbraw/zinc/54/45/88/780544588.db2.gz ZADFMQNFPNSFAY-VIFPVBQESA-N 2 0 262.379 -1.699 20 0 CAADRP COC(=O)[C@@H]1C[C@H]([NH2+]C[C@H]2C[C@H]3C[NH2+]CCN3C2)CN1 ZINC001246128118 780544763 /nfs/dbraw/zinc/54/47/63/780544763.db2.gz NEWHJUFOPOFFQO-VOAKCMCISA-N 2 0 282.388 -1.227 20 0 CAADRP C(C[NH2+][C@@H]1CCNC2(C[NH2+]C2)C1)CN1CC[NH2+]CC1 ZINC001246115255 780544773 /nfs/dbraw/zinc/54/47/73/780544773.db2.gz RCHPUVZXYJHXCA-CYBMUJFWSA-N 3 0 267.421 -1.035 20 0 CAADRP COC(=O)[C@@H]1C[C@@H]([NH2+]CCN2CC[NH+](C)CC2)CN1 ZINC001246089401 780544877 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O[C@@H]1CCN(CC[NH2+][C@@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246260496 780550176 /nfs/dbraw/zinc/55/01/76/780550176.db2.gz GWIXIGCJGKVZDF-VXGBXAGGSA-N 2 0 254.378 -1.263 20 0 CAADRP COC(=O)[C@@H]1CC[C@H]([NH2+]CCN(C)CC[NH3+])CN1 ZINC001246283800 780550971 /nfs/dbraw/zinc/55/09/71/780550971.db2.gz JEHPLKXKZGFWOE-QWRGUYRKSA-N 2 0 258.366 -1.240 20 0 CAADRP COC(=O)[C@H](C)NC(=O)[C@H](C)[NH2+][C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246305479 780550790 /nfs/dbraw/zinc/55/07/90/780550790.db2.gz HZGHQBFHWPCDEA-DCAQKATOSA-N 2 0 298.387 -1.264 20 0 CAADRP COC(=O)[C@H](C)NC(=O)[C@H](C)[NH2+][C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246305483 780551148 /nfs/dbraw/zinc/55/11/48/780551148.db2.gz HZGHQBFHWPCDEA-GARJFASQSA-N 2 0 298.387 -1.264 20 0 CAADRP COC(=O)[C@@H]1CC[C@@H]([NH2+]CCOCCOCC[NH3+])CN1 ZINC001246281846 780551190 /nfs/dbraw/zinc/55/11/90/780551190.db2.gz ACDPALWRBHHFRW-NEPJUHHUSA-N 2 0 289.376 -1.139 20 0 CAADRP OCC[C@]1(N[C@@H]2CCNC3(C[NH2+]C3)C2)CC[NH2+]C1 ZINC001246297983 780551275 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20 0 CAADRP [NH3+]CCC[C@H]([NH2+][C@H]1CCNC2(C[NH2+]C2)C1)C(=O)[O-] ZINC001246332403 780552568 /nfs/dbraw/zinc/55/25/68/780552568.db2.gz FQWUVHQLIKHATA-UWVGGRQHSA-N 2 0 256.350 -1.138 20 0 CAADRP COC(=O)[C@H](N)CC[NH2+][C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246330998 780552662 /nfs/dbraw/zinc/55/26/62/780552662.db2.gz AWNXMYUJRVXINL-NXEZZACHSA-N 2 0 256.350 -1.440 20 0 CAADRP COC(=O)[C@@H]1CC[C@@H]([NH2+]CCCC[C@H]([NH3+])C(N)=O)CN1 ZINC001246402886 780553089 /nfs/dbraw/zinc/55/30/89/780553089.db2.gz BVDSXYHPZYLOEL-VWYCJHECSA-N 2 0 286.376 -1.148 20 0 CAADRP COC(=O)[C@@H]1C[C@@H]([NH2+]CCO[C@H]2CC[NH2+]C2)CN1 ZINC001246372191 780553290 /nfs/dbraw/zinc/55/32/90/780553290.db2.gz YKLHFJYABYQIRJ-VWYCJHECSA-N 2 0 257.334 -1.142 20 0 CAADRP COC(=O)CNC(=O)[C@H](C)[NH2+][C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246403740 780553333 /nfs/dbraw/zinc/55/33/33/780553333.db2.gz DAJFOKIYLGQYDA-VHSXEESVSA-N 2 0 284.360 -1.652 20 0 CAADRP CC[C@@]1(C(=O)OC)C[C@@H]([NH2+]CCNCC[NH3+])CN1 ZINC001246405406 780553664 /nfs/dbraw/zinc/55/36/64/780553664.db2.gz OMDAYNXMOMKPNN-PWSUYJOCSA-N 2 0 258.366 -1.192 20 0 CAADRP CCOC(=O)[C@@H]1C[C@@H]([NH2+]CCNCC[NH3+])CCN1 ZINC001246403777 780553915 /nfs/dbraw/zinc/55/39/15/780553915.db2.gz HXJYSKHEFUSFSP-QWRGUYRKSA-N 2 0 258.366 -1.192 20 0 CAADRP COC(=O)[C@@H]1C[C@H]([NH2+]CCO[C@@H]2CC[NH2+]C2)CN1 ZINC001246372186 780554250 /nfs/dbraw/zinc/55/42/50/780554250.db2.gz YKLHFJYABYQIRJ-AXFHLTTASA-N 2 0 257.334 -1.142 20 0 CAADRP COC(=O)[C@@H]1C[C@@H]([NH2+][C@H]2CCNC3(C[NH2+]C3)C2)CCN1 ZINC001246461620 780555194 /nfs/dbraw/zinc/55/51/94/780555194.db2.gz DSHKZCUPQWEPFA-SRVKXCTJSA-N 2 0 282.388 -1.036 20 0 CAADRP COC(=O)[C@H](N[C@@H]1CCNC2(C[NH2+]C2)C1)[C@H]1CC[NH2+]C1 ZINC001246499008 780555517 /nfs/dbraw/zinc/55/55/17/780555517.db2.gz WJGKSEDBXIUEEB-QJPTWQEYSA-N 2 0 282.388 -1.179 20 0 CAADRP O=S1(=O)CCCN1CC[NH2+][C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246471341 780555764 /nfs/dbraw/zinc/55/57/64/780555764.db2.gz ADVXBXJOFRRICX-LLVKDONJSA-N 2 0 288.417 -1.295 20 0 CAADRP C1OCC1N1CC([NH2+][C@@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246462419 780555858 /nfs/dbraw/zinc/55/58/58/780555858.db2.gz RMURALPYCOWJKE-SNVBAGLBSA-N 2 0 252.362 -1.247 20 0 CAADRP C1OCC1N1CC([NH2+][C@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246462418 780555871 /nfs/dbraw/zinc/55/58/71/780555871.db2.gz RMURALPYCOWJKE-JTQLQIEISA-N 2 0 252.362 -1.247 20 0 CAADRP CNC(=O)[C@H](CCCC[NH3+])[NH2+][C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246510815 780556198 /nfs/dbraw/zinc/55/61/98/780556198.db2.gz IFGFXWXSMQREDV-NEPJUHHUSA-N 3 0 283.420 -1.086 20 0 CAADRP CNC(=O)[C@H](CCCC[NH3+])[NH2+][C@@H]1CN[C@H](C(=O)OC)C1 ZINC001246513271 780556411 /nfs/dbraw/zinc/55/64/11/780556411.db2.gz SCZATNGTVKEYJO-DCAQKATOSA-N 2 0 286.376 -1.277 20 0 CAADRP CCOC(=O)[C@@H]1C[C@@H]([N@@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)CCN1 ZINC001246586994 780556450 /nfs/dbraw/zinc/55/64/50/780556450.db2.gz SDTOAUJPVXSQDG-FIQHERPVSA-N 2 0 271.361 -1.079 20 0 CAADRP OC[C@@H]1CC[N@@H+]([C@H]2CCNC3(C[NH2+]C3)C2)C[C@H]1O ZINC001246575496 780556496 /nfs/dbraw/zinc/55/64/96/780556496.db2.gz MPUCFURJRIZVPD-SDDRHHMPSA-N 2 0 255.362 -1.245 20 0 CAADRP OC[C@@H]1CC[N@@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)C[C@H]1O ZINC001246575494 780556578 /nfs/dbraw/zinc/55/65/78/780556578.db2.gz MPUCFURJRIZVPD-QJPTWQEYSA-N 2 0 255.362 -1.245 20 0 CAADRP C[N@H+](CC(=O)N1CCOCC1)[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246522401 780556590 /nfs/dbraw/zinc/55/65/90/780556590.db2.gz COPVHGTZITYUMR-LBPRGKRZSA-N 2 0 282.388 -1.129 20 0 CAADRP O[C@@H]1CCC[C@H](O)[C@H]1[NH2+][C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246526505 780556621 /nfs/dbraw/zinc/55/66/21/780556621.db2.gz QTKLSNISZSVMNP-WYUUTHIRSA-N 2 0 255.362 -1.056 20 0 CAADRP CNC(=O)[C@H](CCCC[NH3+])[NH2+][C@H]1CN[C@@H](C(=O)OC)C1 ZINC001246513273 780556748 /nfs/dbraw/zinc/55/67/48/780556748.db2.gz SCZATNGTVKEYJO-OUAUKWLOSA-N 2 0 286.376 -1.277 20 0 CAADRP CCOC(=O)[C@@H]1C[C@H]([N@@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)CCN1 ZINC001246586996 780556810 /nfs/dbraw/zinc/55/68/10/780556810.db2.gz SDTOAUJPVXSQDG-WHOHXGKFSA-N 2 0 271.361 -1.079 20 0 CAADRP NC(=O)[C@@H]([NH3+])Cc1cn([C@@H]2CCNC3(C[NH2+]C3)C2)cn1 ZINC001246527881 780556975 /nfs/dbraw/zinc/55/69/75/780556975.db2.gz ZJQYTQCGMBJHKP-MNOVXSKESA-N 2 0 278.360 -1.495 20 0 CAADRP COC(=O)[C@@H]1C[C@H]([N@@H+]2C[C@H](O)[C@@H](C[NH3+])C2)CCN1 ZINC001246581137 780557046 /nfs/dbraw/zinc/55/70/46/780557046.db2.gz PVOKGGUOZPSTIM-VLEAKVRGSA-N 2 0 257.334 -1.469 20 0 CAADRP O=C1CN([C@H]2CCNC3(C[NH2+]C3)C2)[C@@]2(CC[NH2+]C2)CN1 ZINC001246627762 780560274 /nfs/dbraw/zinc/56/02/74/780560274.db2.gz ZOMOOWGZWUQZOQ-SMDDNHRTSA-N 2 0 279.388 -1.756 20 0 CAADRP C1[NH2+]CC12C[C@@H](N1CCO[C@@]3(C1)C[NH2+]CCOC3)CCN2 ZINC001246632652 780560457 /nfs/dbraw/zinc/56/04/57/780560457.db2.gz WCPXHBGBXZVRJI-DZGCQCFKSA-N 2 0 296.415 -1.229 20 0 CAADRP C1[NH2+]CC12C[C@H](N1CCO[C@]3(C1)C[NH2+]CCOC3)CCN2 ZINC001246632654 780560671 /nfs/dbraw/zinc/56/06/71/780560671.db2.gz WCPXHBGBXZVRJI-HIFRSBDPSA-N 2 0 296.415 -1.229 20 0 CAADRP C1[NH2+]CC12C[C@H](N1CCOCC13C[NH2+]C3)CCN2 ZINC001246634905 780560706 /nfs/dbraw/zinc/56/07/06/780560706.db2.gz IBJVIEDGIIEUGL-LLVKDONJSA-N 2 0 252.362 -1.245 20 0 CAADRP C1[NH2+]CC12C[C@H](N1CCO[C@@]3(C1)C[NH2+]CCOC3)CCN2 ZINC001246632655 780560740 /nfs/dbraw/zinc/56/07/40/780560740.db2.gz WCPXHBGBXZVRJI-UKRRQHHQSA-N 2 0 296.415 -1.229 20 0 CAADRP COC(=O)[C@@H]1C[C@H]([NH3+])CN([C@@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246796700 780561267 /nfs/dbraw/zinc/56/12/67/780561267.db2.gz KJAAPIOQPXOXEH-GRYCIOLGSA-N 2 0 282.388 -1.097 20 0 CAADRP CN(C)C(=O)CN1CC[NH+]([C@@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246781409 780561456 /nfs/dbraw/zinc/56/14/56/780561456.db2.gz PDXLQLLWMHKBNE-CYBMUJFWSA-N 2 0 295.431 -1.214 20 0 CAADRP C1[NH2+]CC12C[C@H]([N@H+]1C[C@H]3CNC[C@@H](C1)O3)CCN2 ZINC001246680059 780561831 /nfs/dbraw/zinc/56/18/31/780561831.db2.gz SNXXQCMUDIXNRI-UTUOFQBUSA-N 2 0 252.362 -1.247 20 0 CAADRP COC(=O)[C@@H]1C[N@@H+]([C@H]2CCNC3(C[NH2+]C3)C2)CCN1 ZINC001246691846 780561988 /nfs/dbraw/zinc/56/19/88/780561988.db2.gz GAQKNQRZLHSSRD-QWRGUYRKSA-N 2 0 268.361 -1.473 20 0 CAADRP COC(=O)C[C@@H]1C[NH2+]CCN1[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246811935 780562070 /nfs/dbraw/zinc/56/20/70/780562070.db2.gz AGYRNWRDDMRWSN-VXGBXAGGSA-N 2 0 282.388 -1.083 20 0 CAADRP CCOC(=O)[C@@H]1CC[C@H](N(CC[NH3+])CC[NH3+])CN1 ZINC001246831370 780562800 /nfs/dbraw/zinc/56/28/00/780562800.db2.gz NRLDOSIZXFTYKM-QWRGUYRKSA-N 2 0 258.366 -1.111 20 0 CAADRP C1[NH2+]CC12C[C@@H](N1CC[NH2+]CCNCC[NH2+]CC1)CS2 ZINC001246821372 780562882 /nfs/dbraw/zinc/56/28/82/780562882.db2.gz OEYXZWKGALKTPT-CYBMUJFWSA-N 3 0 299.488 -1.082 20 0 CAADRP COC(=O)[C@@H]1C[NH2+]CCN1[C@@H]1CCOC2(C[NH2+]C2)C1 ZINC001246856899 780563138 /nfs/dbraw/zinc/56/31/38/780563138.db2.gz IAMAMTBFBCUHRM-MNOVXSKESA-N 2 0 269.345 -1.046 20 0 CAADRP C1[NH2+]CC12C[C@H](N1CC[NH2+]CCNCC[NH2+]CC1)CCN2 ZINC001246821167 780563249 /nfs/dbraw/zinc/56/32/49/780563249.db2.gz MIASOHIKNFMICH-CQSZACIVSA-N 3 0 296.463 -1.835 20 0 CAADRP C1CC(N2CC[NH2+]CCNCC[NH2+]CC2)CC[NH2+]1 ZINC001246823572 780563315 /nfs/dbraw/zinc/56/33/15/780563315.db2.gz VUPPCKSPXOFCLT-UHFFFAOYSA-N 3 0 255.410 -1.177 20 0 CAADRP CC1(C)C[N@@H+]([C@H]2CCNC3(C[NH2+]C3)C2)CCN1CC(N)=O ZINC001246822297 780563329 /nfs/dbraw/zinc/56/33/29/780563329.db2.gz YEEMUVIBXOOHEC-LBPRGKRZSA-N 2 0 295.431 -1.038 20 0 CAADRP O=S1(=O)CC[C@H](N2CC[NH2+]CCNCC[NH2+]CC2)C1 ZINC001246821197 780563451 /nfs/dbraw/zinc/56/34/51/780563451.db2.gz MPEWMIHXZBGEAV-LBPRGKRZSA-N 2 0 290.433 -1.742 20 0 CAADRP OCC[C@H]1CN([C@H]2CCNC3(C[NH2+]C3)C2)CC[NH2+]1 ZINC001246869217 780563978 /nfs/dbraw/zinc/56/39/78/780563978.db2.gz FVVIJJXXODWLMN-RYUDHWBXSA-N 2 0 254.378 -1.263 20 0 CAADRP O=C1NC(=O)C2(CC[NH+]([C@@H]3CCNC4(C[NH2+]C4)C3)CC2)N1 ZINC001246866120 780564114 /nfs/dbraw/zinc/56/41/14/780564114.db2.gz ZPHTVTYBVZLWAG-SNVBAGLBSA-N 2 0 293.371 -1.246 20 0 CAADRP COC(=O)[C@H]1C[N@@H+]([C@H]2CCNC3(C[NH2+]C3)C2)CCN1C ZINC001246867617 780564156 /nfs/dbraw/zinc/56/41/56/780564156.db2.gz JLZUHWXIEFHZPH-NWDGAFQWSA-N 2 0 282.388 -1.131 20 0 CAADRP C1[NH2+]CC12C[C@@H]([NH+]1CC(N3CC[NH2+]CC3)C1)CCN2 ZINC001246892145 780564847 /nfs/dbraw/zinc/56/48/47/780564847.db2.gz DMSNPIFMMDXKHI-LBPRGKRZSA-N 3 0 265.405 -1.330 20 0 CAADRP [NH3+]CCCNC(=O)CN(CCC[NH3+])[C@@H]1CCNC(=O)C1 ZINC001246922920 780564857 /nfs/dbraw/zinc/56/48/57/780564857.db2.gz ZAPJXMOPNUHRIZ-LLVKDONJSA-N 2 0 285.392 -1.619 20 0 CAADRP COC(=O)[C@]1(N)CC[N@@H+]([C@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246928437 780564889 /nfs/dbraw/zinc/56/48/89/780564889.db2.gz ZNRZPHBCFWJWIE-GWCFXTLKSA-N 2 0 268.361 -1.343 20 0 CAADRP COC(=O)[C@H]1C[N@@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)CCN1C ZINC001246867621 780564895 /nfs/dbraw/zinc/56/48/95/780564895.db2.gz JLZUHWXIEFHZPH-VXGBXAGGSA-N 2 0 282.388 -1.131 20 0 CAADRP O=C1COC[C@H]2C[N@@H+]([C@@H]3CCNC4(C[NH2+]C4)C3)CCN12 ZINC001246872344 780564901 /nfs/dbraw/zinc/56/49/01/780564901.db2.gz ROUCLEUGWFLHAW-VXGBXAGGSA-N 2 0 280.372 -1.377 20 0 CAADRP C[C@@H]1C[C@H](N(CCC[NH3+])CC(=O)NCCC[NH3+])C[NH2+]1 ZINC001246926060 780564950 /nfs/dbraw/zinc/56/49/50/780564950.db2.gz ROXVGMRXOZIVGB-NEPJUHHUSA-N 3 0 271.409 -1.147 20 0 CAADRP [NH3+]CCCNC(=O)CN(CCC[NH3+])[C@H]1CNC(=O)C1 ZINC001246923569 780565060 /nfs/dbraw/zinc/56/50/60/780565060.db2.gz CCPXUQTUMISPKK-SNVBAGLBSA-N 2 0 271.365 -2.009 20 0 CAADRP COC(=O)[C@@H]1C[N@@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)C[C@@H]1N ZINC001246929786 780565195 /nfs/dbraw/zinc/56/51/95/780565195.db2.gz HQAHSXIRMJHCLW-MXWKQRLJSA-N 2 0 268.361 -1.488 20 0 CAADRP [NH3+][C@H]1CN([C@@H]2CCNC3(C[NH2+]C3)C2)CC12COC2 ZINC001246990790 780565718 /nfs/dbraw/zinc/56/57/18/780565718.db2.gz QPSQBPUNONXYRO-MNOVXSKESA-N 2 0 252.362 -1.260 20 0 CAADRP [NH3+][C@@H]1CN([C@@H]2CCNC3(C[NH2+]C3)C2)CC12COC2 ZINC001246990789 780565883 /nfs/dbraw/zinc/56/58/83/780565883.db2.gz QPSQBPUNONXYRO-GHMZBOCLSA-N 2 0 252.362 -1.260 20 0 CAADRP COC(=O)[C@H]1CN([C@@H]2CCNC3(C[NH2+]C3)C2)CC[C@@H]1[NH3+] ZINC001246949759 780565925 /nfs/dbraw/zinc/56/59/25/780565925.db2.gz UYDUGHIXWVLMRY-WOPDTQHZSA-N 2 0 282.388 -1.097 20 0 CAADRP C[NH+](C)CCN1CC[N@H+](C[C@H](O)CO)CCC1=O ZINC001252061588 780582622 /nfs/dbraw/zinc/58/26/22/780582622.db2.gz PFXDGMQZPGXTJT-NSHDSACASA-N 2 0 259.350 -1.565 20 0 CAADRP C[NH+](C)CC(=O)N[C@H]1CC[C@H]([NH2+]C[C@H](O)CO)CC1 ZINC001252073203 780582904 /nfs/dbraw/zinc/58/29/04/780582904.db2.gz WZNHQYHXSUTPAE-SRVKXCTJSA-N 2 0 273.377 -1.082 20 0 CAADRP COC(=O)[C@@H](O)C[NH2+]CCCN1CC[NH+](C)CC1 ZINC001252405164 780584559 /nfs/dbraw/zinc/58/45/59/780584559.db2.gz DKDYCXFOBZEGAR-NSHDSACASA-N 2 0 259.350 -1.253 20 0 CAADRP COC(=O)[C@H](O)C[NH2+]CCCN1CC[NH+](C)CC1 ZINC001252405159 780584704 /nfs/dbraw/zinc/58/47/04/780584704.db2.gz DKDYCXFOBZEGAR-LLVKDONJSA-N 2 0 259.350 -1.253 20 0 CAADRP COC(=O)[C@@H](O)CN(CC[NH+](C)C)CC[NH+](C)C ZINC001252422549 780585628 /nfs/dbraw/zinc/58/56/28/780585628.db2.gz ZRYPBLHXRZZKRL-NSHDSACASA-N 2 0 261.366 -1.055 20 0 CAADRP COC(=O)[C@H](O)C[N@H+]1CCC(=O)N(CC[NH+](C)C)CC1 ZINC001252427291 780585779 /nfs/dbraw/zinc/58/57/79/780585779.db2.gz HJSPIXPWLAJWKI-LLVKDONJSA-N 2 0 287.360 -1.384 20 0 CAADRP CN(C[C@H](O)C[NH2+]CCO)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001278756457 780597221 /nfs/dbraw/zinc/59/72/21/780597221.db2.gz PSVOSFPQDLUCGD-OLZOCXBDSA-N 2 0 285.388 -1.271 20 0 CAADRP C[C@@H]1[C@H](C(=O)N(C)C[C@H](O)C[NH2+]CCO)CC[N@@H+]1C ZINC001278757010 780598147 /nfs/dbraw/zinc/59/81/47/780598147.db2.gz YALFXEWQWMJMMJ-IJLUTSLNSA-N 2 0 273.377 -1.272 20 0 CAADRP CCOC(=O)CN1CCC([NH2+]C[C@@H](O)C[NH3+])CC1 ZINC001254390503 780604161 /nfs/dbraw/zinc/60/41/61/780604161.db2.gz KULIVXZTBKUAGQ-NSHDSACASA-N 2 0 259.350 -1.077 20 0 CAADRP NC(=O)C[C@H]([NH2+]C1CCC([NH+]2CCOCC2)CC1)C(N)=O ZINC001256685233 780625946 /nfs/dbraw/zinc/62/59/46/780625946.db2.gz BPGUMIFSRMDXHK-MCIGGMRASA-N 2 0 298.387 -1.051 20 0 CAADRP COC(=O)C[C@H]([NH3+])C(=O)N1CCCO[C@H](C[NH3+])C1 ZINC001261474749 780665163 /nfs/dbraw/zinc/66/51/63/780665163.db2.gz JAYUDYVEXNKWMR-BDAKNGLRSA-N 2 0 259.306 -1.547 20 0 CAADRP COC(=O)C[C@H]([NH3+])C(=O)N[C@H](CC[NH3+])C(F)F ZINC001261472586 780665367 /nfs/dbraw/zinc/66/53/67/780665367.db2.gz QKVCLXBLJBNNIJ-NTSWFWBYSA-N 2 0 253.249 -1.025 20 0 CAADRP CN(C)C[C@@H](CO)[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC001261483061 780666541 /nfs/dbraw/zinc/66/65/41/780666541.db2.gz HDNIXTAYDUNXNC-STQMWFEESA-N 2 0 274.409 -1.893 20 0 CAADRP O=C(CN1CC[N@@H+]2C[C@H](O)C[C@H]2C1)N1CC[NH2+]CC1 ZINC001261554858 780672752 /nfs/dbraw/zinc/67/27/52/780672752.db2.gz PGIOHDOMYBNZDW-NWDGAFQWSA-N 2 0 268.361 -1.831 20 0 CAADRP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)[C@H]2C[C@@H]([NH3+])C2)n1 ZINC001261644457 780675843 /nfs/dbraw/zinc/67/58/43/780675843.db2.gz BZSXKJXQJSSYCF-KNVOCYPGSA-N 2 0 251.290 -1.006 20 0 CAADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)[C@H]2CCO[C@H]2C[NH3+])CCO1 ZINC001261643500 780675878 /nfs/dbraw/zinc/67/58/78/780675878.db2.gz VPTSDMVOFANWQZ-NAKRPEOUSA-N 2 0 257.334 -1.075 20 0 CAADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)[C@@H]2CCO[C@@H]2C[NH3+])CCO1 ZINC001261643502 780675995 /nfs/dbraw/zinc/67/59/95/780675995.db2.gz VPTSDMVOFANWQZ-ZDCRXTMVSA-N 2 0 257.334 -1.075 20 0 CAADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)[C@H]2CCO[C@@H]2C[NH3+])CCO1 ZINC001261643499 780676037 /nfs/dbraw/zinc/67/60/37/780676037.db2.gz VPTSDMVOFANWQZ-MMWGEVLESA-N 2 0 257.334 -1.075 20 0 CAADRP Nc1nc(N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)nc(N)[nH+]1 ZINC001261791588 780683670 /nfs/dbraw/zinc/68/36/70/780683670.db2.gz VRNWLBKPOBGXJU-NKWVEPMBSA-N 2 0 251.294 -1.709 20 0 CAADRP O=C(COC1CC[NH2+]CC1)NC[C@H]1COCC[NH2+]1 ZINC001262009279 780695748 /nfs/dbraw/zinc/69/57/48/780695748.db2.gz QPRHHFCTBXSTMG-JTQLQIEISA-N 2 0 257.334 -1.140 20 0 CAADRP O=C(COC1CC[NH2+]CC1)NC[C@@H]1COCC[NH2+]1 ZINC001262009280 780696108 /nfs/dbraw/zinc/69/61/08/780696108.db2.gz QPRHHFCTBXSTMG-SNVBAGLBSA-N 2 0 257.334 -1.140 20 0 CAADRP [NH3+]CCCNC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC001262095625 780699285 /nfs/dbraw/zinc/69/92/85/780699285.db2.gz XWDQALNVLUFOMP-MXWKQRLJSA-N 2 0 297.359 -1.088 20 0 CAADRP [NH3+]CCCNC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC001262095624 780699811 /nfs/dbraw/zinc/69/98/11/780699811.db2.gz XWDQALNVLUFOMP-AXFHLTTASA-N 2 0 297.359 -1.088 20 0 CAADRP C[NH2+]C[C@H](O)[C@H](C)C(=O)NCCOCC[NH+](C)C ZINC001263117087 780720881 /nfs/dbraw/zinc/72/08/81/780720881.db2.gz QXBYWLMZOZECJG-QWRGUYRKSA-N 2 0 261.366 -1.103 20 0 CAADRP CC(C)(O)[C@H]([NH3+])C(=O)NCCN1CCCOCC1 ZINC001263117520 780720889 /nfs/dbraw/zinc/72/08/89/780720889.db2.gz CZPKNNSRDRCPLZ-SNVBAGLBSA-N 2 0 259.350 -1.077 20 0 CAADRP [NH3+]CC(=O)N1CCC[C@@H](CN2CC[NH2+]CC[NH2+]CC2)C1 ZINC001262488070 780711751 /nfs/dbraw/zinc/71/17/51/780711751.db2.gz PAWFQXCNCRQLBT-ZDUSSCGKSA-N 3 0 283.420 -1.322 20 0 CAADRP CN1CC[C@@H]1C[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC001262491810 780711930 /nfs/dbraw/zinc/71/19/30/780711930.db2.gz POTPNMUUGOXZNU-CHWSQXEVSA-N 2 0 256.394 -1.112 20 0 CAADRP CN1CC[C@H]1C[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC001262491812 780711990 /nfs/dbraw/zinc/71/19/90/780711990.db2.gz POTPNMUUGOXZNU-QWHCGFSZSA-N 2 0 256.394 -1.112 20 0 CAADRP CC[NH2+]CCNC(=O)[C@@H]1CC(=O)N(C2C[NH2+]C2)C1 ZINC001263062294 780718253 /nfs/dbraw/zinc/71/82/53/780718253.db2.gz PJRWCAVJIMTTNM-SECBINFHSA-N 2 0 254.334 -1.468 20 0 CAADRP C[NH2+][C@@H]1CCN(C(=O)[C@H]2CC(=O)N(C3C[NH2+]C3)C2)C1 ZINC001263061511 780718369 /nfs/dbraw/zinc/71/83/69/780718369.db2.gz TWWPCSKPUCBVGO-VHSXEESVSA-N 2 0 266.345 -1.373 20 0 CAADRP C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CC(=O)N(C3C[NH2+]C3)C2)C1 ZINC001263061509 780718466 /nfs/dbraw/zinc/71/84/66/780718466.db2.gz TWWPCSKPUCBVGO-NXEZZACHSA-N 2 0 266.345 -1.373 20 0 CAADRP CC[C@@H]([NH3+])CNC(=O)[C@H]1CC(=O)N(C2C[NH2+]C2)C1 ZINC001263110430 780721316 /nfs/dbraw/zinc/72/13/16/780721316.db2.gz VTRICNYHNIUGBM-DTWKUNHWSA-N 2 0 254.334 -1.340 20 0 CAADRP C[NH2+]CCOCCN(C)C(=O)[C@@H]1CC(=O)N(C2C[NH2+]C2)C1 ZINC001263166551 780722134 /nfs/dbraw/zinc/72/21/34/780722134.db2.gz KQNFWUSXLISYLP-LLVKDONJSA-N 2 0 298.387 -1.499 20 0 CAADRP C[NH2+]C[C@@H](O)CN(C)C(=O)CO[C@@H]1CCC[NH2+]C1 ZINC001263170491 780722237 /nfs/dbraw/zinc/72/22/37/780722237.db2.gz RDBGNEPKKRTREP-GHMZBOCLSA-N 2 0 259.350 -1.206 20 0 CAADRP C[NH2+]CCOCCN(C)C(=O)[C@H]1CC(=O)N(C2C[NH2+]C2)C1 ZINC001263166552 780722272 /nfs/dbraw/zinc/72/22/72/780722272.db2.gz KQNFWUSXLISYLP-NSHDSACASA-N 2 0 298.387 -1.499 20 0 CAADRP O=C(C[C@]1(O)CCC[NH2+]C1)N1CCOC2(C[NH2+]C2)C1 ZINC001263163419 780722342 /nfs/dbraw/zinc/72/23/42/780722342.db2.gz OYRHSAJJRSXUFF-GFCCVEGCSA-N 2 0 269.345 -1.308 20 0 CAADRP CN(CCC[NH+](C)C)CCNC(=O)C[C@H](O)C[NH3+] ZINC001263154878 780722654 /nfs/dbraw/zinc/72/26/54/780722654.db2.gz GUHQUAAONSXWKR-NSHDSACASA-N 2 0 260.382 -1.304 20 0 CAADRP CN(CCC[NH+](C)C)CCNC(=O)[C@H]1C[NH2+]CCN1C ZINC001263155551 780722678 /nfs/dbraw/zinc/72/26/78/780722678.db2.gz YMQXBPPCIXBFHS-CYBMUJFWSA-N 2 0 285.436 -1.110 20 0 CAADRP CC(C)(C[NH+]1CCOCC1)C(=O)NC[C@@H](O)C[NH3+] ZINC001263158766 780722933 /nfs/dbraw/zinc/72/29/33/780722933.db2.gz JWPKNGFLSUAHSM-JTQLQIEISA-N 2 0 259.350 -1.219 20 0 CAADRP C[C@H]([NH3+])CCNC(=O)[C@@H]1CC(=O)N(C2C[NH2+]C2)C1 ZINC001263163909 780722972 /nfs/dbraw/zinc/72/29/72/780722972.db2.gz FEEKYIAHPRIXHY-DTWKUNHWSA-N 2 0 254.334 -1.340 20 0 CAADRP C[C@@H]1CN(C(=O)[C@H]2CC(=O)N(C3C[NH2+]C3)C2)C[C@H]1[NH3+] ZINC001263215224 780724632 /nfs/dbraw/zinc/72/46/32/780724632.db2.gz IJHAKTNPWMEGIF-WCABBAIRSA-N 2 0 266.345 -1.388 20 0 CAADRP [NH3+][C@]1(CO)CCCN(C(=O)CN2CC[NH2+]CC2)C1 ZINC001263211807 780724639 /nfs/dbraw/zinc/72/46/39/780724639.db2.gz CUHFSANVPKGFQM-GFCCVEGCSA-N 2 0 256.350 -1.796 20 0 CAADRP C[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(C3C[NH2+]C3)C2)C[C@H]1[NH3+] ZINC001263215223 780725466 /nfs/dbraw/zinc/72/54/66/780725466.db2.gz IJHAKTNPWMEGIF-FXPVBKGRSA-N 2 0 266.345 -1.388 20 0 CAADRP COC[C@H]1C[NH2+]CCN1C(=O)C[C@H]1C[NH2+]CCO1 ZINC001263261123 780726246 /nfs/dbraw/zinc/72/62/46/780726246.db2.gz UYTGUEGXJUPKDY-MNOVXSKESA-N 2 0 257.334 -1.188 20 0 CAADRP [NH3+]CCn1cc(C(=O)N[C@@H]2C[NH2+]CC23CC3)nn1 ZINC001263324430 780726504 /nfs/dbraw/zinc/72/65/04/780726504.db2.gz SVDZPTUUQZHALJ-SECBINFHSA-N 2 0 250.306 -1.281 20 0 CAADRP COC[C@@H]1C[NH2+]CCN1C(=O)C[C@H]1C[NH2+]CCO1 ZINC001263261124 780726469 /nfs/dbraw/zinc/72/64/69/780726469.db2.gz UYTGUEGXJUPKDY-QWRGUYRKSA-N 2 0 257.334 -1.188 20 0 CAADRP C[NH2+]C[C@H](O)[C@H](C)C(=O)N1CC[NH2+]C[C@@H]1COC ZINC001263262119 780726481 /nfs/dbraw/zinc/72/64/81/780726481.db2.gz YMLNPQIUZDGWFR-AXFHLTTASA-N 2 0 259.350 -1.350 20 0 CAADRP C[NH2+]C[C@H](O)[C@@H](C)C(=O)N1CC[NH2+]C[C@H]1COC ZINC001263262122 780726691 /nfs/dbraw/zinc/72/66/91/780726691.db2.gz YMLNPQIUZDGWFR-VWYCJHECSA-N 2 0 259.350 -1.350 20 0 CAADRP C[C@@H](CCNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]CC(N)=O ZINC001266190045 780771782 /nfs/dbraw/zinc/77/17/82/780771782.db2.gz XTYKKSAAKLQFGB-VHSXEESVSA-N 2 0 256.350 -1.092 20 0 CAADRP C[C@@H](O)C[NH2+]CCN(CCO)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001279672018 780774997 /nfs/dbraw/zinc/77/49/97/780774997.db2.gz AFHUJMUVOKLCQN-NEPJUHHUSA-N 2 0 273.377 -1.128 20 0 CAADRP CC[NH+](CC)CC(=O)NCC[NH2+]CC(=O)NC(N)=O ZINC001135511639 781373926 /nfs/dbraw/zinc/37/39/26/781373926.db2.gz WPAZEDJILNIAIT-UHFFFAOYSA-N 2 0 273.337 -1.771 20 0 CAADRP C[NH+]1CCC(OCC(=O)NCC[NH2+]CCO)CC1 ZINC001135963204 781389540 /nfs/dbraw/zinc/38/95/40/781389540.db2.gz ANMJILWENLVMLS-UHFFFAOYSA-N 2 0 259.350 -1.205 20 0 CAADRP C[C@@H]([NH2+]CCNC(=O)COC1CC[NH+](C)CC1)C(N)=O ZINC001135959078 781390392 /nfs/dbraw/zinc/39/03/92/781390392.db2.gz KBRXRSQZMVNULJ-SNVBAGLBSA-N 2 0 286.376 -1.323 20 0 CAADRP NS(=O)(=O)c1ccc(N[C@@H]([NH3+])CCC[NH3+])nn1 ZINC001159787848 781398016 /nfs/dbraw/zinc/39/80/16/781398016.db2.gz BYMUOFXQFVQRTO-ZCFIWIBFSA-N 2 0 260.323 -1.440 20 0 CAADRP [NH3+]C[C@H]1C[N@H+](C[C@H](O)CC2(O)CC[NH2+]CC2)C[C@H]1O ZINC001246019521 781398751 /nfs/dbraw/zinc/39/87/51/781398751.db2.gz FUJGLEIYNLDREW-QJPTWQEYSA-N 3 0 273.377 -1.897 20 0 CAADRP [NH3+]CCCNC(=O)CN(CCC[NH3+])C[C@]1(O)CC[NH2+]C1 ZINC001246050425 781399953 /nfs/dbraw/zinc/39/99/53/781399953.db2.gz DYOFZMSHAJIGTI-ZDUSSCGKSA-N 3 0 287.408 -2.173 20 0 CAADRP C[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CCO)C[C@H]2O)CC1 ZINC001090537693 781407304 /nfs/dbraw/zinc/40/73/04/781407304.db2.gz NATZNXMAUIGHND-QWHCGFSZSA-N 2 0 285.388 -1.128 20 0 CAADRP C[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](CCO)C[C@@H]2O)CC1 ZINC001090537692 781407843 /nfs/dbraw/zinc/40/78/43/781407843.db2.gz NATZNXMAUIGHND-OLZOCXBDSA-N 2 0 285.388 -1.128 20 0 CAADRP C([NH2+][C@@H]1CCNC2(C[NH2+]C2)C1)[C@H]1CO[C@@H]2C[NH2+]C[C@H]12 ZINC001246148866 781408844 /nfs/dbraw/zinc/40/88/44/781408844.db2.gz HQTPBSMTFJPTQZ-UMSGYPCISA-N 3 0 266.389 -1.096 20 0 CAADRP COC(=O)[C@@H]1C[C@H]([NH2+][C@@H]2CCNC3(C[NH2+]C3)C2)CN1 ZINC001246183763 781412370 /nfs/dbraw/zinc/41/23/70/781412370.db2.gz HUGTXHPMVDVJTH-VWYCJHECSA-N 2 0 268.361 -1.427 20 0 CAADRP COC(=O)[C@H](C[NH3+])C[NH2+][C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246236640 781419842 /nfs/dbraw/zinc/41/98/42/781419842.db2.gz PYXHDGQHHOFNQD-ZJUUUORDSA-N 3 0 256.350 -1.582 20 0 CAADRP COC(=O)[C@@H]1C[C@H](NC2(C[NH3+])CC[NH2+]CC2)CN1 ZINC001246235764 781419943 /nfs/dbraw/zinc/41/99/43/781419943.db2.gz LBZRODNZRAHVHW-UWVGGRQHSA-N 2 0 256.350 -1.440 20 0 CAADRP COC(=O)[C@@H]1C[C@@H](NC2(C[NH3+])CC[NH2+]CC2)CN1 ZINC001246235765 781420485 /nfs/dbraw/zinc/42/04/85/781420485.db2.gz LBZRODNZRAHVHW-ZJUUUORDSA-N 2 0 256.350 -1.440 20 0 CAADRP O=C(N[C@H]1CC[N@@H+](CCO)C[C@@H]1O)C12CC[NH+](CC1)C2 ZINC001090730179 781427111 /nfs/dbraw/zinc/42/71/11/781427111.db2.gz HSHWWLXGYQPWMN-RYUDHWBXSA-N 2 0 283.372 -1.374 20 0 CAADRP COC(=O)CNC(=O)C[NH2+][C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246304440 781428845 /nfs/dbraw/zinc/42/88/45/781428845.db2.gz ABAGVBGLBUJRHX-VIFPVBQESA-N 2 0 270.333 -2.041 20 0 CAADRP O=C1CNCCN1CC[NH2+][C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246355544 781432896 /nfs/dbraw/zinc/43/28/96/781432896.db2.gz JEARCPRHLIEWIV-LLVKDONJSA-N 2 0 267.377 -1.898 20 0 CAADRP COC(=O)[C@@H]1C[C@@H]([NH2+]CCCC[C@H]([NH3+])C(N)=O)CN1 ZINC001246420178 781435175 /nfs/dbraw/zinc/43/51/75/781435175.db2.gz XCWDMMPWVYZKDT-UTLUCORTSA-N 2 0 272.349 -1.538 20 0 CAADRP COC(=O)[C@H]1C[C@@H]([NH2+]CCCC[C@H]([NH3+])C(N)=O)CN1 ZINC001246420175 781435371 /nfs/dbraw/zinc/43/53/71/781435371.db2.gz XCWDMMPWVYZKDT-KXUCPTDWSA-N 2 0 272.349 -1.538 20 0 CAADRP COC(=O)[C@@H]1C[C@H]([NH2+]CCCC[C@H]([NH3+])C(N)=O)CN1 ZINC001246420170 781435634 /nfs/dbraw/zinc/43/56/34/781435634.db2.gz XCWDMMPWVYZKDT-GUBZILKMSA-N 2 0 272.349 -1.538 20 0 CAADRP NC(=O)N1CCN(C(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)CC1 ZINC001160456117 781440288 /nfs/dbraw/zinc/44/02/88/781440288.db2.gz CATQSSNTVXVDLG-ZWNOBZJWSA-N 2 0 281.360 -1.592 20 0 CAADRP NC(=O)N1CCN(C(=O)[C@H]([NH3+])C2CC[NH2+]CC2)CC1 ZINC001160456519 781441078 /nfs/dbraw/zinc/44/10/78/781441078.db2.gz LMRVIVYPXCSDAH-SNVBAGLBSA-N 2 0 269.349 -1.464 20 0 CAADRP CN1CCO[C@H](C(=O)NCC2CC([NH2+]CCO)C2)C1 ZINC001090970860 781443401 /nfs/dbraw/zinc/44/34/01/781443401.db2.gz NJLSKCHVPPGFGT-MCIGGMRASA-N 2 0 271.361 -1.206 20 0 CAADRP CN(CC(=O)NCCN(CC[NH3+])N(O)N=O)C(N)=[NH2+] ZINC001144141748 781444177 /nfs/dbraw/zinc/44/41/77/781444177.db2.gz GUJHDUZAUBDLDL-UHFFFAOYSA-N 2 0 276.301 -2.524 20 0 CAADRP CC(C)[C@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)CN(C)C(N)=[NH2+])O1 ZINC001144141553 781444187 /nfs/dbraw/zinc/44/41/87/781444187.db2.gz BGDXLXHFFHETLC-KKZNHRDASA-N 2 0 287.364 -1.347 20 0 CAADRP C[C@H]1COCCN1CCNC(=O)CN(C)C(N)=[NH2+] ZINC001144141724 781444339 /nfs/dbraw/zinc/44/43/39/781444339.db2.gz GGTSLRREZYQWDQ-VIFPVBQESA-N 2 0 257.338 -1.351 20 0 CAADRP CCOC(=O)CN(CC[NH3+])C(=O)CN(C)C(N)=[NH2+] ZINC001144143568 781444366 /nfs/dbraw/zinc/44/43/66/781444366.db2.gz TZZQNGNZTQBXRP-UHFFFAOYSA-N 2 0 259.310 -1.838 20 0 CAADRP COC(=O)[C@@H]1CN(C)CCN1C(=O)CN(C)C(N)=[NH2+] ZINC001144134995 781444712 /nfs/dbraw/zinc/44/47/12/781444712.db2.gz BOCJRXXDYFJSRA-QMMMGPOBSA-N 2 0 271.321 -1.873 20 0 CAADRP Cc1ncc(C[NH3+])c(=N)n1C(=O)CN(C)C(N)=[NH2+] ZINC001144144389 781445267 /nfs/dbraw/zinc/44/52/67/781445267.db2.gz XIXIRUFQTUHDSM-UHFFFAOYSA-N 2 0 251.294 -1.405 20 0 CAADRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)CN(C)C(N)=[NH2+] ZINC001144149107 781445863 /nfs/dbraw/zinc/44/58/63/781445863.db2.gz DVQQAVQKCJUEMD-UHFFFAOYSA-N 3 0 271.369 -1.124 20 0 CAADRP CCOC(=O)C1(NC(=O)CN(C)C(N)=[NH2+])CC[NH+](C)CC1 ZINC001144144525 781445924 /nfs/dbraw/zinc/44/59/24/781445924.db2.gz ZAKHMVPEBLNVCK-UHFFFAOYSA-N 2 0 299.375 -1.045 20 0 CAADRP [NH3+][C@@H]1CN([C@@H]2C[NH2+][C@H](C(=O)N3CCSC3)C2)C[C@H]1O ZINC001246558240 781451008 /nfs/dbraw/zinc/45/10/08/781451008.db2.gz POBOJHGKJFKTLF-ZRUFSTJUSA-N 2 0 286.401 -1.746 20 0 CAADRP [NH3+][C@@H]1CN([C@H]2C[NH2+][C@H](C(=O)N3CCSC3)C2)C[C@H]1O ZINC001246558237 781451494 /nfs/dbraw/zinc/45/14/94/781451494.db2.gz POBOJHGKJFKTLF-CHWFTXMASA-N 2 0 286.401 -1.746 20 0 CAADRP [NH3+]C[C@H]1CN(C(=O)[C@H]([NH3+])Cc2cnc[nH]2)CCO1 ZINC001160643870 781457895 /nfs/dbraw/zinc/45/78/95/781457895.db2.gz OWFYWMAPUPPGLH-VHSXEESVSA-N 2 0 253.306 -1.534 20 0 CAADRP [NH3+]C[C@H]1CN(C(=O)[C@]23C[NH2+]C[C@@H]2CCN3)CCO1 ZINC001160643809 781458085 /nfs/dbraw/zinc/45/80/85/781458085.db2.gz NRJFXLLCKVMGEG-NHCYSSNCSA-N 2 0 254.334 -1.876 20 0 CAADRP [NH3+]CCC[C@H]([NH3+])C(=O)N1CCc2[nH]c(=O)[nH]c(=O)c2C1 ZINC001160641024 781458121 /nfs/dbraw/zinc/45/81/21/781458121.db2.gz USNDNHSITPJDMS-QMMMGPOBSA-N 2 0 281.316 -1.161 20 0 CAADRP C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N1CC[C@@H]([NH3+])[C@H](O)C1 ZINC001160655084 781460961 /nfs/dbraw/zinc/46/09/61/781460961.db2.gz GDAPXDNGVSNBAX-UYXSQOIJSA-N 2 0 274.321 -3.269 20 0 CAADRP CC(C)C[C@H](NC(=O)C[NH3+])C(=O)N1CC[C@@H]([NH3+])[C@H](O)C1 ZINC001160655199 781461174 /nfs/dbraw/zinc/46/11/74/781461174.db2.gz KHYYHDVVCPYVOG-OUAUKWLOSA-N 2 0 286.376 -1.604 20 0 CAADRP CCOC(=O)[C@@H]1C[C@@H]([N@@H+]2C[C@H](O)[C@@H](C[NH3+])C2)CCN1 ZINC001246581598 781462055 /nfs/dbraw/zinc/46/20/55/781462055.db2.gz SDTOAUJPVXSQDG-BJDJZHNGSA-N 2 0 271.361 -1.079 20 0 CAADRP COC[C@@H](O)C[NH2+]CCCNC(=O)COCC[NH+](C)C ZINC001171206068 781462157 /nfs/dbraw/zinc/46/21/57/781462157.db2.gz ZFFJNZOSQMFGOI-LBPRGKRZSA-N 2 0 291.392 -1.332 20 0 CAADRP C[NH+](C)CCOCC(=O)NCCC[NH2+]CC(N)=O ZINC001171205003 781462162 /nfs/dbraw/zinc/46/21/62/781462162.db2.gz KBWWZYYASBDMIG-UHFFFAOYSA-N 2 0 260.338 -1.854 20 0 CAADRP COC[C@H](O)C[NH2+]CCCNC(=O)COCC[NH+](C)C ZINC001171206067 781462258 /nfs/dbraw/zinc/46/22/58/781462258.db2.gz ZFFJNZOSQMFGOI-GFCCVEGCSA-N 2 0 291.392 -1.332 20 0 CAADRP Cn1nncc1C[NH2+]CCCNC(=O)COCC[NH+](C)C ZINC001171204553 781462376 /nfs/dbraw/zinc/46/23/76/781462376.db2.gz CDQYIOXZBVXVEB-UHFFFAOYSA-N 2 0 298.391 -1.011 20 0 CAADRP C[NH+](C)CCOCC(=O)NCCC[NH2+][C@@H]1CCNC1=O ZINC001171204515 781462634 /nfs/dbraw/zinc/46/26/34/781462634.db2.gz BLXQPYLPHWEEMO-LLVKDONJSA-N 2 0 286.376 -1.451 20 0 CAADRP COC(=O)[C@@H]1C[C@@H]([N@@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)CCN1 ZINC001246586049 781462812 /nfs/dbraw/zinc/46/28/12/781462812.db2.gz PVOKGGUOZPSTIM-XWLWVQCSSA-N 2 0 257.334 -1.469 20 0 CAADRP COC[C@@H]1C[NH2+]CCN1[C@@H]1CN[C@H](C(=O)OC)C1 ZINC001246593477 781463854 /nfs/dbraw/zinc/46/38/54/781463854.db2.gz ICLYOZFMJLFAOH-DCAQKATOSA-N 2 0 257.334 -1.190 20 0 CAADRP COC[C@H]1C[NH2+]CCN1[C@H]1CN[C@H](C(=O)OC)C1 ZINC001246593478 781463870 /nfs/dbraw/zinc/46/38/70/781463870.db2.gz ICLYOZFMJLFAOH-MXWKQRLJSA-N 2 0 257.334 -1.190 20 0 CAADRP C[NH+](C)CCOCC(=O)NCCC[NH2+]CCn1cncn1 ZINC001171215388 781464445 /nfs/dbraw/zinc/46/44/45/781464445.db2.gz BOUJDZWXJAAKAK-UHFFFAOYSA-N 2 0 298.391 -1.048 20 0 CAADRP COC(CN(C)C(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1)OC ZINC001160685899 781464597 /nfs/dbraw/zinc/46/45/97/781464597.db2.gz IXOGLTCHKYDNGO-NSHDSACASA-N 2 0 288.392 -1.186 20 0 CAADRP C[N@@H+]1CC[C@H](C(=O)NCC2CC([NH2+]CC(N)=O)C2)C1 ZINC001091364708 781475740 /nfs/dbraw/zinc/47/57/40/781475740.db2.gz LTGIOMOHOHSETF-YVNMAJEFSA-N 2 0 268.361 -1.092 20 0 CAADRP COC(=O)[C@H]1C[NH2+]CCN1[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246626766 781476448 /nfs/dbraw/zinc/47/64/48/781476448.db2.gz UYFVMMFZPMPETP-WDEREUQCSA-N 2 0 268.361 -1.473 20 0 CAADRP COC(=O)[C@@H]1C[NH2+]CCN1[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246626747 781477380 /nfs/dbraw/zinc/47/73/80/781477380.db2.gz UYFVMMFZPMPETP-MNOVXSKESA-N 2 0 268.361 -1.473 20 0 CAADRP C1[NH2+]CC12C[C@@H]([N@@H+]1CCN[C@]3(CC[NH2+]C3)C1)CCN2 ZINC001246645146 781478643 /nfs/dbraw/zinc/47/86/43/781478643.db2.gz UANIJWTZZNOTCE-STQMWFEESA-N 3 0 265.405 -1.282 20 0 CAADRP CCOC(=O)[C@]12CN(C(=O)C[C@H](O)C[NH3+])C[C@H]1C[NH2+]CC2 ZINC001160806160 781480914 /nfs/dbraw/zinc/48/09/14/781480914.db2.gz KUAKTDNDXYPXSU-UHIISALHSA-N 2 0 299.371 -1.303 20 0 CAADRP COC(=O)CN1CC[NH+]([C@@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246804141 781481748 /nfs/dbraw/zinc/48/17/48/781481748.db2.gz MCIBOJAURKQWDD-GFCCVEGCSA-N 2 0 282.388 -1.129 20 0 CAADRP NC(=O)[C@@H]1C[N@@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)CCN1 ZINC001246799641 781481895 /nfs/dbraw/zinc/48/18/95/781481895.db2.gz YEGBWZGTUIFDST-ZJUUUORDSA-N 2 0 253.350 -2.161 20 0 CAADRP NC(=O)[C@@H]1C[N@@H+]([C@H]2CCNC3(C[NH2+]C3)C2)CCO1 ZINC001246839256 781483217 /nfs/dbraw/zinc/48/32/17/781483217.db2.gz CKHZQUZMLMDEIZ-UWVGGRQHSA-N 2 0 254.334 -1.734 20 0 CAADRP NC(=O)[C@@H]1C[N@@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)CCO1 ZINC001246839268 781483603 /nfs/dbraw/zinc/48/36/03/781483603.db2.gz CKHZQUZMLMDEIZ-ZJUUUORDSA-N 2 0 254.334 -1.734 20 0 CAADRP C[NH+](C)C[C@@]12C[C@@H]1CN(C(=O)[C@H]1COC3(C[NH2+]C3)CN1)C2 ZINC001160963407 781485214 /nfs/dbraw/zinc/48/52/14/781485214.db2.gz JVYQFYWYWLYWTI-YRGRVCCFSA-N 2 0 294.399 -1.273 20 0 CAADRP CC[N@H+](C)CCC(=O)NCC[NH2+]CC(=O)NC(=O)NC ZINC001146718504 781490697 /nfs/dbraw/zinc/49/06/97/781490697.db2.gz CVUHJYRAZHPNIJ-UHFFFAOYSA-N 2 0 287.364 -1.510 20 0 CAADRP CC[N@H+](C)CCC(=O)NCC[NH2+]CC(=O)NC(N)=O ZINC001146711997 781491196 /nfs/dbraw/zinc/49/11/96/781491196.db2.gz YVSZAFVFPKNEQW-UHFFFAOYSA-N 2 0 273.337 -1.771 20 0 CAADRP Cn1nnnc1C[NH2+]CCCNC(=O)C12CC[NH+](CC1)C2 ZINC001171303508 781510104 /nfs/dbraw/zinc/51/01/04/781510104.db2.gz OGJGXFQOGWGACG-UHFFFAOYSA-N 2 0 293.375 -1.098 20 0 CAADRP Cc1nc[nH]c1CC(=O)NCC[NH2+]CCOCCO ZINC001149124936 781514760 /nfs/dbraw/zinc/51/47/60/781514760.db2.gz XYTRSUCLWZDVSQ-UHFFFAOYSA-N 2 0 270.333 -1.025 20 0 CAADRP NC(=[NH2+])N(CCCC[NH3+])C(=O)c1nccnc1C(N)=O ZINC001147760661 781521906 /nfs/dbraw/zinc/52/19/06/781521906.db2.gz UZPGEDGHRJSZJN-UHFFFAOYSA-N 2 0 279.304 -1.350 20 0 CAADRP C[C@@H]([NH2+]CCNC(=O)COCC[NH+](C)C)C(N)=O ZINC001147848527 781522727 /nfs/dbraw/zinc/52/27/27/781522727.db2.gz ONESROACESEVQD-SECBINFHSA-N 2 0 260.338 -1.856 20 0 CAADRP CNC(=O)C[NH2+]CCNC(=O)COCC[NH+](C)C ZINC001147842098 781522813 /nfs/dbraw/zinc/52/28/13/781522813.db2.gz MMVCYYMJKBGGFM-UHFFFAOYSA-N 2 0 260.338 -1.984 20 0 CAADRP C[N@@H+]1CC[C@H](CC(=O)NCC[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001147885604 781523046 /nfs/dbraw/zinc/52/30/46/781523046.db2.gz NNLMFVXTEBKQGS-MNOVXSKESA-N 2 0 296.371 -1.161 20 0 CAADRP C[NH+](C)CCOCC(=O)NCC[NH2+]CC(=O)NC1CC1 ZINC001147841314 781523086 /nfs/dbraw/zinc/52/30/86/781523086.db2.gz DYEISQNQBQCZFJ-UHFFFAOYSA-N 2 0 286.376 -1.451 20 0 CAADRP COC[C@H](O)C[NH2+]CCNC(=O)COCC[NH+](C)C ZINC001147848325 781523090 /nfs/dbraw/zinc/52/30/90/781523090.db2.gz KUGJJHRRRVSPCZ-LLVKDONJSA-N 2 0 277.365 -1.722 20 0 CAADRP CCN(C)C(=O)C[NH2+]CCNC(=O)COCC[NH+](C)C ZINC001147842272 781523190 /nfs/dbraw/zinc/52/31/90/781523190.db2.gz PCTWJYHTQJZWRJ-UHFFFAOYSA-N 2 0 288.392 -1.251 20 0 CAADRP CO[C@H]1C[NH2+]C[C@@H]1N(C)[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246991100 781523486 /nfs/dbraw/zinc/52/34/86/781523486.db2.gz ZBBMTMTVGKSVMV-SRVKXCTJSA-N 2 0 254.378 -1.001 20 0 CAADRP C[C@@H]([NH2+]CCNC(=O)C[C@H]1CC[N@H+](C)C1)C(N)=O ZINC001147885986 781523604 /nfs/dbraw/zinc/52/36/04/781523604.db2.gz RCCRNSDGGUOXRA-NXEZZACHSA-N 2 0 256.350 -1.092 20 0 CAADRP CNC(=O)[C@H](C)[NH2+]CCNC(=O)COCC[NH+](C)C ZINC001147891943 781523968 /nfs/dbraw/zinc/52/39/68/781523968.db2.gz FUZDFMVBINUCFA-JTQLQIEISA-N 2 0 274.365 -1.595 20 0 CAADRP C[C@@H]([NH2+]CCNC(=O)C[C@@H]1CC[N@H+](C)C1)C(=O)NC(N)=O ZINC001147899932 781524237 /nfs/dbraw/zinc/52/42/37/781524237.db2.gz CUDSEOBUGXMJNI-ZJUUUORDSA-N 2 0 299.375 -1.383 20 0 CAADRP C[C@H]([NH2+]CCNC(=O)C[C@H]1CC[N@H+](C)C1)C(=O)NC(N)=O ZINC001147899931 781524745 /nfs/dbraw/zinc/52/47/45/781524745.db2.gz CUDSEOBUGXMJNI-VHSXEESVSA-N 2 0 299.375 -1.383 20 0 CAADRP CNC(=O)C[NH2+]CCNC(=O)C12CC[NH+](CC1)C2 ZINC001147970294 781525411 /nfs/dbraw/zinc/52/54/11/781525411.db2.gz GJCAFGFTBMBJOA-UHFFFAOYSA-N 2 0 254.334 -1.466 20 0 CAADRP C[C@@H]([NH2+]CCNC(=O)C12CC[NH+](CC1)C2)C(=O)NC(N)=O ZINC001148000450 781526624 /nfs/dbraw/zinc/52/66/24/781526624.db2.gz PUAPIEKDGGFLBT-SECBINFHSA-N 2 0 297.359 -1.629 20 0 CAADRP O=C(NCC[NH2+][C@H]1CCNC1=O)C12CC[NH+](CC1)C2 ZINC001147976898 781527093 /nfs/dbraw/zinc/52/70/93/781527093.db2.gz DLFUZTQCEYGBIX-JTQLQIEISA-N 2 0 266.345 -1.324 20 0 CAADRP C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N1C[C@H]2[C@H](C1)CCC[N@@H+]2C ZINC001161085293 781527483 /nfs/dbraw/zinc/52/74/83/781527483.db2.gz SIKRGBZYYPKBDR-BJDJZHNGSA-N 2 0 298.387 -1.637 20 0 CAADRP C[NH+](C)CCCCC(=O)NCC[NH2+]CC(=O)NC(N)=O ZINC001148359983 781532087 /nfs/dbraw/zinc/53/20/87/781532087.db2.gz IVZCJJQFIIKZHO-UHFFFAOYSA-N 2 0 287.364 -1.381 20 0 CAADRP COC(=O)[C@]1(N)CCN(C(=O)[C@@H]([NH3+])CSCC[NH3+])C1 ZINC001161139019 781538077 /nfs/dbraw/zinc/53/80/77/781538077.db2.gz JEWQTDCJSABJNY-KWQFWETISA-N 2 0 290.389 -1.892 20 0 CAADRP COC(=O)[C@@]1(N)CCN(C(=O)[C@H]([NH3+])C2CC[NH2+]CC2)C1 ZINC001161139431 781538145 /nfs/dbraw/zinc/53/81/45/781538145.db2.gz TXIXREHIPZKOSM-ZWNOBZJWSA-N 2 0 284.360 -1.584 20 0 CAADRP CCC[N@H+](C)CC(=O)NCC[NH2+][C@H]1CCC(=O)NC1=O ZINC001148639066 781538469 /nfs/dbraw/zinc/53/84/69/781538469.db2.gz ZKFPRHRMMZWMJN-JTQLQIEISA-N 2 0 284.360 -1.161 20 0 CAADRP CCC[N@H+](C)CC(=O)NCC[NH2+][C@@H]1CCC(=O)NC1=O ZINC001148639067 781538553 /nfs/dbraw/zinc/53/85/53/781538553.db2.gz ZKFPRHRMMZWMJN-SNVBAGLBSA-N 2 0 284.360 -1.161 20 0 CAADRP C[C@]1(C(N)=O)CC[N@H+](CC(=O)N2CC[NH2+]CC2)C1 ZINC000235737902 781539269 /nfs/dbraw/zinc/53/92/69/781539269.db2.gz YDVGDOVQUPYYIH-LBPRGKRZSA-N 2 0 254.334 -1.385 20 0 CAADRP COC(=O)[C@@]1(N)CCN(C(=O)[C@@H]([NH3+])CCCC[NH3+])C1 ZINC001161138604 781539306 /nfs/dbraw/zinc/53/93/06/781539306.db2.gz WWEJSVWVUFUEKZ-JOYOIKCWSA-N 2 0 272.349 -1.455 20 0 CAADRP C[NH+](C)CCOCC(=O)N1CCC([NH2+]CC(N)=O)CC1 ZINC001203349422 781582926 /nfs/dbraw/zinc/58/29/26/781582926.db2.gz OGIISQVWSPANIO-UHFFFAOYSA-N 2 0 286.376 -1.370 20 0 CAADRP C[N@@H+]1CC[C@@H](C(=O)NCCC[NH2+]CC(=O)NC(N)=O)C1 ZINC001176056257 781597430 /nfs/dbraw/zinc/59/74/30/781597430.db2.gz DWSXMKVKMKLYEX-SECBINFHSA-N 2 0 285.348 -1.771 20 0 CAADRP C[N@@H+]1CC[C@H](C(=O)NCCC[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001176057709 781597492 /nfs/dbraw/zinc/59/74/92/781597492.db2.gz RMQZFFBESLLTMO-WDEREUQCSA-N 2 0 296.371 -1.161 20 0 CAADRP C[C@H]([NH2+]CCCNC(=O)C[NH+]1CCCC1)C(=O)NC(N)=O ZINC001176118195 781597629 /nfs/dbraw/zinc/59/76/29/781597629.db2.gz LJELHZDMIWGXGY-JTQLQIEISA-N 2 0 299.375 -1.239 20 0 CAADRP C[C@@H]([NH2+]CCCNC(=O)[C@H]1CC[N@H+](C)C1)C(N)=O ZINC001176056593 781597702 /nfs/dbraw/zinc/59/77/02/781597702.db2.gz HRGSFTNVPLVOSC-ZJUUUORDSA-N 2 0 256.350 -1.092 20 0 CAADRP C[N@@H+]1CC[C@@H](C(=O)NCCC[NH2+][C@@H]2CCNC2=O)C1 ZINC001176071545 781597938 /nfs/dbraw/zinc/59/79/38/781597938.db2.gz FRBIPBWRIRYMST-GHMZBOCLSA-N 2 0 268.361 -1.078 20 0 CAADRP C[N@@H+]1CC[C@H](C(=O)NCCC[NH2+][C@@H]2CCNC2=O)C1 ZINC001176071553 781597976 /nfs/dbraw/zinc/59/79/76/781597976.db2.gz FRBIPBWRIRYMST-WDEREUQCSA-N 2 0 268.361 -1.078 20 0 CAADRP C[C@H]([NH2+]CCCNC(=O)[C@H]1CC[N@H+](C)C1)C(=O)NC(N)=O ZINC001176096724 781598008 /nfs/dbraw/zinc/59/80/08/781598008.db2.gz YKRPDNIJSQDLJX-UWVGGRQHSA-N 2 0 299.375 -1.383 20 0 CAADRP Cn1nnnc1C[NH2+]CCCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001176072353 781598019 /nfs/dbraw/zinc/59/80/19/781598019.db2.gz QPAZRDIQVUNQBR-JTQLQIEISA-N 2 0 281.364 -1.242 20 0 CAADRP C[N@@H+]1CC[C@H](C(=O)NCCC[NH2+][C@H]2CCNC2=O)C1 ZINC001176071551 781598066 /nfs/dbraw/zinc/59/80/66/781598066.db2.gz FRBIPBWRIRYMST-QWRGUYRKSA-N 2 0 268.361 -1.078 20 0 CAADRP O=C(C[NH+]1CCCC1)NCCC[NH2+][C@H]1CCC(=O)NC1=O ZINC001176103253 781598079 /nfs/dbraw/zinc/59/80/79/781598079.db2.gz UWDYUBMKIMCDLN-NSHDSACASA-N 2 0 296.371 -1.017 20 0 CAADRP NC(=O)C1CC[NH+](CCC(=O)NCC[NH2+]CCO)CC1 ZINC001180613222 781669682 /nfs/dbraw/zinc/66/96/82/781669682.db2.gz XNKAHUUUDNMOTP-UHFFFAOYSA-N 2 0 286.376 -1.728 20 0 CAADRP N[C@@H]1NCN(C(=O)C23CC[NH+](CC2)CC3)[C@@H]2NCN[C@@H]21 ZINC001181555964 781694598 /nfs/dbraw/zinc/69/45/98/781694598.db2.gz UVMKEVAIQHRAPM-MXWKQRLJSA-N 2 0 280.376 -2.009 20 0 CAADRP N[C@@H]1NCN(C(=O)C23CC[NH+](CC2)CC3)[C@@H]2NCN[C@H]21 ZINC001181555958 781694853 /nfs/dbraw/zinc/69/48/53/781694853.db2.gz UVMKEVAIQHRAPM-AXFHLTTASA-N 2 0 280.376 -2.009 20 0 CAADRP C[N@@H+]1CC[C@@H](C(=O)NCC[NH2+][C@H]2CCNC2=O)C1 ZINC001151049410 781695977 /nfs/dbraw/zinc/69/59/77/781695977.db2.gz NPUFOJOKLXVOTB-ZJUUUORDSA-N 2 0 254.334 -1.468 20 0 CAADRP C[N@@H+]1CC[C@H](C(=O)NCC[NH2+][C@H]2CCNC2=O)C1 ZINC001151049408 781696400 /nfs/dbraw/zinc/69/64/00/781696400.db2.gz NPUFOJOKLXVOTB-UWVGGRQHSA-N 2 0 254.334 -1.468 20 0 CAADRP C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001181651378 781697666 /nfs/dbraw/zinc/69/76/66/781697666.db2.gz BPOCMKSBEHDOME-ZJUUUORDSA-N 2 0 297.359 -1.534 20 0 CAADRP CNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001151065875 781701365 /nfs/dbraw/zinc/70/13/65/781701365.db2.gz NYMWDADOXWLDBM-ZJUUUORDSA-N 2 0 299.375 -1.512 20 0 CAADRP C[N@@H+]1CC[C@@H](C(=O)NCC[NH2+]CCN2C(=O)CNC2=O)C1 ZINC001151064644 781701478 /nfs/dbraw/zinc/70/14/78/781701478.db2.gz CJUYXKQEZMXEFX-SNVBAGLBSA-N 2 0 297.359 -1.804 20 0 CAADRP NC(=[NH2+])N(CCCC[NH3+])C(=O)CC1CC(=O)NC(=O)C1 ZINC001182177962 781714643 /nfs/dbraw/zinc/71/46/43/781714643.db2.gz VNQOZMFPNGTEPI-UHFFFAOYSA-N 2 0 283.332 -1.110 20 0 CAADRP NC(=O)NC(=O)C[NH2+]CCNC(=O)C[NH+]1CCCC1 ZINC001151098078 781716344 /nfs/dbraw/zinc/71/63/44/781716344.db2.gz UGLNSERPSSXUIN-UHFFFAOYSA-N 2 0 271.321 -2.017 20 0 CAADRP CN(C)C(=O)C[NH2+]CCNC(=O)C[NH+]1CCCC1 ZINC001151098192 781717082 /nfs/dbraw/zinc/71/70/82/781717082.db2.gz XDOCXFLOTCUXRP-UHFFFAOYSA-N 2 0 256.350 -1.124 20 0 CAADRP Cn1cc(C[N@@H+]2C[C@H](O)[C@@H](C[NH3+])C2)c(=O)n(C)c1=O ZINC001206524977 781724904 /nfs/dbraw/zinc/72/49/04/781724904.db2.gz DWPBIWGNLRLREP-WPRPVWTQSA-N 2 0 268.317 -2.165 20 0 CAADRP C[NH+](C)C1(C(=O)NCCN(CC[NH3+])N(O)N=O)CC1 ZINC001182601016 781725837 /nfs/dbraw/zinc/72/58/37/781725837.db2.gz APBZIKBUMUXNIT-UHFFFAOYSA-N 2 0 274.325 -1.255 20 0 CAADRP CC(C)[N@@H+]1CC[C@H]1C(=O)N1CN[C@H](N)[C@@H]2NCN[C@H]21 ZINC001182871652 781729979 /nfs/dbraw/zinc/72/99/79/781729979.db2.gz SOMKIEWAYQNMKG-NAKRPEOUSA-N 2 0 268.365 -2.012 20 0 CAADRP CS(=O)(=O)N1CC(C(=O)N(CCCC[NH3+])C(N)=[NH2+])C1 ZINC001183025714 781736265 /nfs/dbraw/zinc/73/62/65/781736265.db2.gz SPYSBOZZDBCVSY-UHFFFAOYSA-N 2 0 291.377 -1.661 20 0 CAADRP CC(=O)N[C@H](C(=O)N(CCCC[NH3+])C(N)=[NH2+])[C@@H](C)O ZINC001183702822 781750720 /nfs/dbraw/zinc/75/07/20/781750720.db2.gz OWBZNSCCLODEFE-APPZFPTMSA-N 2 0 273.337 -1.667 20 0 CAADRP NC(=[NH2+])N(CCCC[NH3+])C(=O)C[C@@H]1NC(=O)CNC1=O ZINC001183727738 781754988 /nfs/dbraw/zinc/75/49/88/781754988.db2.gz YBGLJWZPTIWHTF-ZETCQYMHSA-N 2 0 284.320 -2.548 20 0 CAADRP C[NH+](C)CCCC(=O)N1CC[C@@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001185249242 781776963 /nfs/dbraw/zinc/77/69/63/781776963.db2.gz SGUXIRPFUSHNGL-SNVBAGLBSA-N 2 0 299.375 -1.286 20 0 CAADRP CN1CC[N@H+](C)C[C@@H]1C(=O)NCCN1CCC[NH+](C)CC1 ZINC001185261300 781780039 /nfs/dbraw/zinc/78/00/39/781780039.db2.gz DIWRJGDQTYWAPV-CQSZACIVSA-N 2 0 297.447 -1.014 20 0 CAADRP CCOC(=O)CN(CC[NH3+])C(=O)[C@H]1C[N@H+](C)CCN1C ZINC001185267235 781781737 /nfs/dbraw/zinc/78/17/37/781781737.db2.gz PRKYKKAWPXODJT-LLVKDONJSA-N 2 0 286.376 -1.417 20 0 CAADRP C[C@@H]([NH2+][C@@H]1CCN(C(=O)COCC[NH+](C)C)C1)C(N)=O ZINC001187106949 781814629 /nfs/dbraw/zinc/81/46/29/781814629.db2.gz RQTNSPBZDAZGDX-GHMZBOCLSA-N 2 0 286.376 -1.371 20 0 CAADRP C[NH+](C)CCOCC(=O)N1CC[C@@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001187115323 781815313 /nfs/dbraw/zinc/81/53/13/781815313.db2.gz IZCOJBRELLTCTF-VXGBXAGGSA-N 2 0 298.387 -1.356 20 0 CAADRP CNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001187817943 781830997 /nfs/dbraw/zinc/83/09/97/781830997.db2.gz LRXZMVDBJCTJEA-WDEREUQCSA-N 2 0 268.361 -1.125 20 0 CAADRP CC(C)[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001188145751 781836126 /nfs/dbraw/zinc/83/61/26/781836126.db2.gz MXUJWKXOESBQKL-SNVBAGLBSA-N 2 0 299.375 -1.288 20 0 CAADRP Cn1nc(C(=O)N(CCCC[NH3+])C(N)=[NH2+])ccc1=O ZINC001189497088 781862096 /nfs/dbraw/zinc/86/20/96/781862096.db2.gz VDHDMJGKBOCCRT-UHFFFAOYSA-N 2 0 266.305 -1.145 20 0 CAADRP