smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[N@H+](CCO)CCN1CC[NH2+]CC1 71150591 571774539 /nfs/dbraw/zinc/77/45/39/571774539.db2.gz WJNXRRFQXBFVRJ-UHFFFAOYSA-N 2 0 187.287 -1.184 20 0 AAADRP C[N@H+](CCO)CCOCC[NH3+] 301045527 571867058 /nfs/dbraw/zinc/86/70/58/571867058.db2.gz NSFYSCDNQHEXCV-UHFFFAOYSA-N 2 0 162.233 -1.114 20 0 AAADRP C[NH2+]CCN(C)C(=O)C[NH2+]C 69803213 572147494 /nfs/dbraw/zinc/14/74/94/572147494.db2.gz FQPGBONQTAYJIR-UHFFFAOYSA-N 2 0 159.233 -1.116 20 0 AAADRP [NH3+]CCNC(=O)C[C@H]1COCC[NH2+]1 87509147 572522672 /nfs/dbraw/zinc/52/26/72/572522672.db2.gz UMILZJSHYIKABQ-ZETCQYMHSA-N 2 0 187.243 -1.560 20 0 AAADRP [NH3+]CCNC(=O)C[C@@H]1COCC[NH2+]1 87509150 572523179 /nfs/dbraw/zinc/52/31/79/572523179.db2.gz UMILZJSHYIKABQ-SSDOTTSWSA-N 2 0 187.243 -1.560 20 0 AAADRP CN(C[C@H](O)C[NH3+])C[C@@H](O)CO 308079383 572620931 /nfs/dbraw/zinc/62/09/31/572620931.db2.gz HZSPUXCKOCJHLM-RNFRBKRXSA-N 2 0 178.232 -2.409 20 0 AAADRP CN(C[C@@H](O)C[NH3+])C[C@@H](O)CO 308079381 572621762 /nfs/dbraw/zinc/62/17/62/572621762.db2.gz HZSPUXCKOCJHLM-NKWVEPMBSA-N 2 0 178.232 -2.409 20 0 AAADRP C[C@@H](C(N)=O)N(C)C[C@H](O)C[NH3+] 308078048 572624008 /nfs/dbraw/zinc/62/40/08/572624008.db2.gz GXCOTJZPBNKMFJ-NTSWFWBYSA-N 2 0 175.232 -1.888 20 0 AAADRP C[C@@H](C(N)=O)N(C)C[C@@H](O)C[NH3+] 308078059 572625178 /nfs/dbraw/zinc/62/51/78/572625178.db2.gz GXCOTJZPBNKMFJ-WDSKDSINSA-N 2 0 175.232 -1.888 20 0 AAADRP C[C@H](C(N)=O)N(C)C[C@@H](O)C[NH3+] 308078055 572626443 /nfs/dbraw/zinc/62/64/43/572626443.db2.gz GXCOTJZPBNKMFJ-RITPCOANSA-N 2 0 175.232 -1.888 20 0 AAADRP C[N@H+](CCOCC[NH3+])C[C@H](O)CO 300991195 572628083 /nfs/dbraw/zinc/62/80/83/572628083.db2.gz GABPGBZGPBDWNN-QMMMGPOBSA-N 2 0 192.259 -1.753 20 0 AAADRP CC[C@@H]([NH3+])C(=O)NCC[NH3+] 48596102 572675838 /nfs/dbraw/zinc/67/58/38/572675838.db2.gz WRZMCXFSKQQGAC-RXMQYKEDSA-N 2 0 145.206 -1.201 20 0 AAADRP CC[C@H]([NH3+])C(=O)NCC[NH3+] 48596100 572676888 /nfs/dbraw/zinc/67/68/88/572676888.db2.gz WRZMCXFSKQQGAC-YFKPBYRVSA-N 2 0 145.206 -1.201 20 0 AAADRP C[C@H](C[NH3+])C(=O)NCC[NH3+] 54344076 572681826 /nfs/dbraw/zinc/68/18/26/572681826.db2.gz GMAYESDJAGBZEL-RXMQYKEDSA-N 2 0 145.206 -1.344 20 0 AAADRP COC[C@H](C)NC(C[NH3+])C[NH3+] 308095307 572708682 /nfs/dbraw/zinc/70/86/82/572708682.db2.gz XUKYIYJRBSOMPP-LURJTMIESA-N 2 0 161.249 -1.103 20 0 AAADRP COC[C@@H](C)NC(C[NH3+])C[NH3+] 308095308 572709796 /nfs/dbraw/zinc/70/97/96/572709796.db2.gz XUKYIYJRBSOMPP-ZCFIWIBFSA-N 2 0 161.249 -1.103 20 0 AAADRP [NH3+]CCNC(=O)C[C@H]1C[NH2+]CCO1 85619737 572773812 /nfs/dbraw/zinc/77/38/12/572773812.db2.gz WJHMWLIBKJHEIK-ZETCQYMHSA-N 2 0 187.243 -1.560 20 0 AAADRP [NH3+]CCNC(=O)C[C@@H]1C[NH2+]CCO1 85619734 572773870 /nfs/dbraw/zinc/77/38/70/572773870.db2.gz WJHMWLIBKJHEIK-SSDOTTSWSA-N 2 0 187.243 -1.560 20 0 AAADRP C[NH2+]CCNC(=O)[C@@H]([NH3+])COC 308157240 572878023 /nfs/dbraw/zinc/87/80/23/572878023.db2.gz BNYPDYIEIHNKHQ-LURJTMIESA-N 2 0 175.232 -1.704 20 0 AAADRP CC[NH2+]CC(=O)NCC[NH2+]C 308174204 572895267 /nfs/dbraw/zinc/89/52/67/572895267.db2.gz YHPMOZWJCGPCKQ-UHFFFAOYSA-N 2 0 159.233 -1.069 20 0 AAADRP C[NH2+]CCNC(=O)COCC[NH3+] 308184233 572910017 /nfs/dbraw/zinc/91/00/17/572910017.db2.gz IGBXUFKHRKHRHO-UHFFFAOYSA-N 2 0 175.232 -1.703 20 0 AAADRP C[NH2+]CCN(C)C(=O)[C@@H]([NH3+])COC 88004494 572912054 /nfs/dbraw/zinc/91/20/54/572912054.db2.gz ZXALZEVYRLEJRC-ZETCQYMHSA-N 2 0 189.259 -1.362 20 0 AAADRP C[C@H](C[NH3+])NC(=O)COCC[NH3+] 308194585 572924874 /nfs/dbraw/zinc/92/48/74/572924874.db2.gz QZZWSGFFWXATHB-ZCFIWIBFSA-N 2 0 175.232 -1.575 20 0 AAADRP C[NH2+]CCNC(=O)[C@H](C[NH3+])OC 308191185 572926471 /nfs/dbraw/zinc/92/64/71/572926471.db2.gz ODTCMFTUKFJNJO-LURJTMIESA-N 2 0 175.232 -1.704 20 0 AAADRP [NH3+]CCC[NH2+][C@@H]1COC[C@H]1O 51356227 572964963 /nfs/dbraw/zinc/96/49/63/572964963.db2.gz CMTBMOSINBTGKE-RNFRBKRXSA-N 2 0 160.217 -1.316 20 0 AAADRP COC[C@H]([NH3+])C(=O)N[C@H](C)CC[NH3+] 393655420 573017655 /nfs/dbraw/zinc/01/76/55/573017655.db2.gz HOUOSEVNCDAVNK-RQJHMYQMSA-N 2 0 189.259 -1.186 20 0 AAADRP C[C@@H](C[NH3+])NC(=O)[C@H](C)[NH3+] 104590150 573046610 /nfs/dbraw/zinc/04/66/10/573046610.db2.gz QTFCTAXXJAZPER-WHFBIAKZSA-N 2 0 145.206 -1.203 20 0 AAADRP [NH3+]CCNC(=O)C1([NH3+])CCC1 88050773 573055702 /nfs/dbraw/zinc/05/57/02/573055702.db2.gz LSDZRYMNCMFWOS-UHFFFAOYSA-N 2 0 157.217 -1.057 20 0 AAADRP CO[C@@H](C[NH3+])C(=O)N1CC[C@H]([NH3+])C1 308491974 573081785 /nfs/dbraw/zinc/08/17/85/573081785.db2.gz ADSUTVWVHIAYCG-BQBZGAKWSA-N 2 0 187.243 -1.480 20 0 AAADRP C[C@H]([NH3+])CNC(=O)COCC[NH3+] 308287981 573150507 /nfs/dbraw/zinc/15/05/07/573150507.db2.gz AAJWTLPIDDWLPJ-LURJTMIESA-N 2 0 175.232 -1.575 20 0 AAADRP CNC(=[NH2+])NC[C@@H]1C[N@H+](C)CCN1C 82670275 573151772 /nfs/dbraw/zinc/15/17/72/573151772.db2.gz JBEVCRRKPWPHFC-MRVPVSSYSA-N 2 0 199.302 -1.024 20 0 AAADRP CNC(=[NH2+])NC[C@H]1C[N@H+](C)CCN1C 82670277 573152392 /nfs/dbraw/zinc/15/23/92/573152392.db2.gz JBEVCRRKPWPHFC-QMMMGPOBSA-N 2 0 199.302 -1.024 20 0 AAADRP [NH3+]CCOCC(=O)N1CC[C@H]([NH3+])C1 308516645 573191984 /nfs/dbraw/zinc/19/19/84/573191984.db2.gz MZJSZGIQBIXXSV-ZETCQYMHSA-N 2 0 187.243 -1.479 20 0 AAADRP [NH3+]CCOCC(=O)N1CC[C@@H]([NH3+])C1 308516643 573193585 /nfs/dbraw/zinc/19/35/85/573193585.db2.gz MZJSZGIQBIXXSV-SSDOTTSWSA-N 2 0 187.243 -1.479 20 0 AAADRP [NH3+]CCC(=O)N1CCO[C@H](C[NH3+])C1 308539948 573282744 /nfs/dbraw/zinc/28/27/44/573282744.db2.gz UJLNATLYNTUNIF-SSDOTTSWSA-N 2 0 187.243 -1.479 20 0 AAADRP [NH3+]CCC(=O)N1CCO[C@@H](C[NH3+])C1 308539950 573285019 /nfs/dbraw/zinc/28/50/19/573285019.db2.gz UJLNATLYNTUNIF-ZETCQYMHSA-N 2 0 187.243 -1.479 20 0 AAADRP COC(=O)[C@@H](C[NH3+])C1C[NH2+]C1 107119092 573355524 /nfs/dbraw/zinc/35/55/24/573355524.db2.gz DKKVKYQNSRGVFS-LURJTMIESA-N 2 0 158.201 -1.046 20 0 AAADRP COCC[NH2+]CCNC(=O)C[NH3+] 308376343 573377393 /nfs/dbraw/zinc/37/73/93/573377393.db2.gz NUFCGBYCUVSPAL-UHFFFAOYSA-N 2 0 175.232 -1.703 20 0 AAADRP C[C@H](C[NH3+])C(=O)NCC1C[NH2+]C1 308390654 573441504 /nfs/dbraw/zinc/44/15/04/573441504.db2.gz YBXWPKOXUWIWOS-ZCFIWIBFSA-N 2 0 171.244 -1.083 20 0 AAADRP C[C@@H](C[NH3+])C(=O)NCC1C[NH2+]C1 308390653 573442836 /nfs/dbraw/zinc/44/28/36/573442836.db2.gz YBXWPKOXUWIWOS-LURJTMIESA-N 2 0 171.244 -1.083 20 0 AAADRP CO[C@@H](C[NH3+])C(=O)N(C)CCC[NH3+] 308602367 573511824 /nfs/dbraw/zinc/51/18/24/573511824.db2.gz AYRZMFIJXBRMSP-ZETCQYMHSA-N 2 0 189.259 -1.233 20 0 AAADRP C[C@H](C[NH3+])NC(=O)[C@@H](C)[NH3+] 211881545 573520875 /nfs/dbraw/zinc/52/08/75/573520875.db2.gz QTFCTAXXJAZPER-RFZPGFLSSA-N 2 0 145.206 -1.203 20 0 AAADRP C[C@@H](C[NH3+])NC(=O)[C@@H](C)[NH3+] 211881477 573525755 /nfs/dbraw/zinc/52/57/55/573525755.db2.gz QTFCTAXXJAZPER-CRCLSJGQSA-N 2 0 145.206 -1.203 20 0 AAADRP COC[C@H]([NH3+])C(=O)NC[C@H](C)C[NH3+] 308634596 573571559 /nfs/dbraw/zinc/57/15/59/573571559.db2.gz BYZMFZVNIIGZGY-RQJHMYQMSA-N 2 0 189.259 -1.329 20 0 AAADRP C[C@H](C[NH3+])CNC(=O)COCC[NH3+] 308652657 573641584 /nfs/dbraw/zinc/64/15/84/573641584.db2.gz LTBXRBIUTNXEOR-SSDOTTSWSA-N 2 0 189.259 -1.327 20 0 AAADRP C[C@@H](C[NH3+])CNC(=O)COCC[NH3+] 308652658 573641898 /nfs/dbraw/zinc/64/18/98/573641898.db2.gz LTBXRBIUTNXEOR-ZETCQYMHSA-N 2 0 189.259 -1.327 20 0 AAADRP C[NH2+]CCNC(=O)C[C@H](C[NH3+])OC 308656477 573648585 /nfs/dbraw/zinc/64/85/85/573648585.db2.gz OHTKDTYNMUCDOM-SSDOTTSWSA-N 2 0 189.259 -1.314 20 0 AAADRP CO[C@@H](C[NH3+])C(=O)N[C@H]1CC[NH2+]C1 308656479 573649995 /nfs/dbraw/zinc/64/99/95/573649995.db2.gz OHYHUGAKBLBUQN-BQBZGAKWSA-N 2 0 187.243 -1.562 20 0 AAADRP CO[C@@H](C[NH3+])C(=O)N[C@@H]1CC[NH2+]C1 308656482 573652641 /nfs/dbraw/zinc/65/26/41/573652641.db2.gz OHYHUGAKBLBUQN-RQJHMYQMSA-N 2 0 187.243 -1.562 20 0 AAADRP [NH3+]CCNC(=O)C1([NH3+])CC1 83835366 573669618 /nfs/dbraw/zinc/66/96/18/573669618.db2.gz OKSCZKVYBDDRPD-UHFFFAOYSA-N 2 0 143.190 -1.447 20 0 AAADRP C[C@@H](CC[NH3+])NC(=O)COCC[NH3+] 308678531 573689143 /nfs/dbraw/zinc/68/91/43/573689143.db2.gz WYRNGVZAQQKSIN-ZETCQYMHSA-N 2 0 189.259 -1.185 20 0 AAADRP C[C@H](CC[NH3+])NC(=O)COCC[NH3+] 308678530 573689660 /nfs/dbraw/zinc/68/96/60/573689660.db2.gz WYRNGVZAQQKSIN-SSDOTTSWSA-N 2 0 189.259 -1.185 20 0 AAADRP CO[C@@H](C[NH3+])CC(=O)N[C@@H](C)C[NH3+] 308677871 573690252 /nfs/dbraw/zinc/69/02/52/573690252.db2.gz WRDXVHUYRNDAFX-NKWVEPMBSA-N 2 0 189.259 -1.186 20 0 AAADRP OC[C@@H](O)C[N@@H+]1C[C@@H]2C[NH2+]C[C@@H]2C1 122361518 573729000 /nfs/dbraw/zinc/72/90/00/573729000.db2.gz SNMNZAWWQVMYPQ-YIZRAAEISA-N 2 0 186.255 -1.509 20 0 AAADRP [NH3+]CC(=O)NCc1c[nH]cn1 84081116 573763433 /nfs/dbraw/zinc/76/34/33/573763433.db2.gz ISJPOMWOSMOPSS-UHFFFAOYSA-N 2 0 154.173 -1.015 20 0 AAADRP C[NH2+]CCNC(=O)[C@@H]1C[NH2+]CCO1 308744250 573816110 /nfs/dbraw/zinc/81/61/10/573816110.db2.gz QOSUXCASHVMSQP-ZETCQYMHSA-N 2 0 187.243 -1.690 20 0 AAADRP C[C@@H](O)C[N@H+](C)C[C@H](O)C[NH3+] 393571042 573918205 /nfs/dbraw/zinc/91/82/05/573918205.db2.gz WATIISHNHPWSSP-RNFRBKRXSA-N 2 0 162.233 -1.381 20 0 AAADRP C[NH+](C)CCNC(=O)COCC[NH3+] 86434147 486880746 /nfs/dbraw/zinc/88/07/46/486880746.db2.gz HLVVEUITYOVNAH-UHFFFAOYSA-N 2 0 189.259 -1.361 20 0 AAADRP C[NH2+]C[C@@H](C)C(=O)NCC[NH3+] 86067912 486873198 /nfs/dbraw/zinc/87/31/98/486873198.db2.gz CPYOKPPDPSWJFZ-ZCFIWIBFSA-N 2 0 159.233 -1.083 20 0 AAADRP C[NH2+]C[C@H](C)C(=O)NCC[NH3+] 86067911 486873228 /nfs/dbraw/zinc/87/32/28/486873228.db2.gz CPYOKPPDPSWJFZ-LURJTMIESA-N 2 0 159.233 -1.083 20 0 AAADRP [NH3+]CCOCC(=O)N1CC[NH2+]CC1 86434368 486880821 /nfs/dbraw/zinc/88/08/21/486880821.db2.gz LQHUVSHIQLTOGO-UHFFFAOYSA-N 2 0 187.243 -1.607 20 0 AAADRP COC[C@H]([NH3+])C(=O)N1CC[NH2+]CC1 88002818 486906233 /nfs/dbraw/zinc/90/62/33/486906233.db2.gz IKQMPFFSONOGRK-ZETCQYMHSA-N 2 0 187.243 -1.608 20 0 AAADRP [NH3+]CC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 142330418 486948651 /nfs/dbraw/zinc/94/86/51/486948651.db2.gz XGNYDIJKAVQIBS-WDSKDSINSA-N 2 0 155.201 -1.482 20 0 AAADRP C[NH+](C)CCOCCNC(=O)C[NH3+] 234261383 487094836 /nfs/dbraw/zinc/09/48/36/487094836.db2.gz IELFBMABZWXVAF-UHFFFAOYSA-N 2 0 189.259 -1.361 20 0 AAADRP [NH3+]CCOCCN1CCNC(=O)C1 236174397 487107104 /nfs/dbraw/zinc/10/71/04/487107104.db2.gz VOUHFJLWTLWAJO-UHFFFAOYSA-N 2 0 187.243 -1.607 20 0 AAADRP [NH3+]CCNC(=O)N[C@H]1CC[NH2+]C1 258472629 487134734 /nfs/dbraw/zinc/13/47/34/487134734.db2.gz KXYOIURCOQSEES-LURJTMIESA-N 2 0 172.232 -1.394 20 0 AAADRP C[C@H](C[NH3+])NC(=O)[C@@H]1[C@H]2C[NH2+]C[C@H]21 306992569 487171540 /nfs/dbraw/zinc/17/15/40/487171540.db2.gz WUKCKOLJGRSUPX-NGJRWZKOSA-N 2 0 183.255 -1.085 20 0 AAADRP C[NH2+]CCNC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 891993216 582479937 /nfs/dbraw/zinc/47/99/37/582479937.db2.gz QKYWQBIDJQQEIF-YUMQZZPRSA-N 2 0 198.270 -1.039 20 0 AAADRP C[NH2+]CC(=O)N1C[C@@H]2C[NH2+]C[C@@H]2C1 306526300 582519896 /nfs/dbraw/zinc/51/98/96/582519896.db2.gz UFYXOELDKFPYRK-OCAPTIKFSA-N 2 0 183.255 -1.116 20 0 AAADRP [NH3+]CCN(CCO)C[C@H]1CCC[NH2+]1 903450030 582624765 /nfs/dbraw/zinc/62/47/65/582624765.db2.gz ZNTXICCSRVJJMR-SECBINFHSA-N 2 0 187.287 -1.009 20 0 AAADRP CN(C[C@H](O)C[NH3+])C[C@H]1CCC[NH2+]1 903454226 582625112 /nfs/dbraw/zinc/62/51/12/582625112.db2.gz XCXGBLRAYMYISF-RKDXNWHRSA-N 2 0 187.287 -1.010 20 0 AAADRP CN(C[C@@H](O)C[NH3+])C[C@H]1CCC[NH2+]1 903454199 582625738 /nfs/dbraw/zinc/62/57/38/582625738.db2.gz XCXGBLRAYMYISF-BDAKNGLRSA-N 2 0 187.287 -1.010 20 0 AAADRP [NH3+]CC(=O)NCCNc1cc[nH+]cc1 906081829 582654669 /nfs/dbraw/zinc/65/46/69/582654669.db2.gz HETDAQQKFLOFMF-UHFFFAOYSA-N 2 0 194.238 -1.010 20 0 AAADRP [NH3+][C@@H]1C[C@@H]1C(=O)NC[C@H]1C[NH2+]CCO1 818231444 583006015 /nfs/dbraw/zinc/00/60/15/583006015.db2.gz WNTRQXWZSFQGJM-GJMOJQLCSA-N 2 0 199.254 -1.562 20 0 AAADRP [NH3+][C@@H]1C[C@@H]1C(=O)NC[C@@H]1C[NH2+]CCO1 818231443 583006221 /nfs/dbraw/zinc/00/62/21/583006221.db2.gz WNTRQXWZSFQGJM-BIIVOSGPSA-N 2 0 199.254 -1.562 20 0 AAADRP [NH3+]CCNC(=O)[C@@H]1C[C@@H]1[NH3+] 832209127 583077152 /nfs/dbraw/zinc/07/71/52/583077152.db2.gz OYDGIQBXFOMFSW-UHNVWZDZSA-N 2 0 143.190 -1.592 20 0 AAADRP C[C@@H](C[NH3+])NC(=O)[C@@H]1C[C@@H]1[NH3+] 834618757 583086193 /nfs/dbraw/zinc/08/61/93/583086193.db2.gz IUQIDUQMBRUOIA-JKUQZMGJSA-N 2 0 157.217 -1.203 20 0 AAADRP C[C@H](C[NH3+])NC(=O)[C@@H]1C[C@@H]1[NH3+] 834525071 583086343 /nfs/dbraw/zinc/08/63/43/583086343.db2.gz IUQIDUQMBRUOIA-PBXRRBTRSA-N 2 0 157.217 -1.203 20 0 AAADRP [NH3+]C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2[NH3+])CCO1 834529117 583086455 /nfs/dbraw/zinc/08/64/55/583086455.db2.gz MKWXZWOVAFXXMU-PRJMDXOYSA-N 2 0 199.254 -1.480 20 0 AAADRP [NH3+]C[C@H]1CN(C(=O)[C@@H]2C[C@@H]2[NH3+])CCO1 834529121 583086798 /nfs/dbraw/zinc/08/67/98/583086798.db2.gz MKWXZWOVAFXXMU-RNJXMRFFSA-N 2 0 199.254 -1.480 20 0 AAADRP CC(C)([NH3+])CN(CC[NH3+])CCO 843125947 583132273 /nfs/dbraw/zinc/13/22/73/583132273.db2.gz KSCFURAQCQDGKV-UHFFFAOYSA-N 2 0 175.276 -1.023 20 0 AAADRP C[NH2+]CCN(C)C(=O)C1(O)C[NH2+]C1 852873721 583213717 /nfs/dbraw/zinc/21/37/17/583213717.db2.gz BEJNMPWPVOPKSX-UHFFFAOYSA-N 2 0 187.243 -2.002 20 0 AAADRP C[C@@H](C[NH3+])NC(=O)C1(O)C[NH2+]C1 852877762 583214069 /nfs/dbraw/zinc/21/40/69/583214069.db2.gz CRDWOKBNBOFFDB-YFKPBYRVSA-N 2 0 173.216 -2.216 20 0 AAADRP [NH3+]CCN(CCO)C[C@]12C[NH2+]C[C@H]1C2 853246848 583217011 /nfs/dbraw/zinc/21/70/11/583217011.db2.gz UZVGPNLMUJXKMM-ZJUUUORDSA-N 2 0 199.298 -1.151 20 0 AAADRP [NH3+]CCN(CCO)C[C@@]12C[NH2+]C[C@@H]1C2 853246847 583217383 /nfs/dbraw/zinc/21/73/83/583217383.db2.gz UZVGPNLMUJXKMM-VHSXEESVSA-N 2 0 199.298 -1.151 20 0 AAADRP C[C@H]([NH3+])CCNC(=O)NCC[NH3+] 857103805 583260892 /nfs/dbraw/zinc/26/08/92/583260892.db2.gz FBSAATXGVHFPNI-LURJTMIESA-N 2 0 174.248 -1.018 20 0 AAADRP C[C@H]([NH3+])CN(C)C(=O)NCC[NH3+] 861638793 583294573 /nfs/dbraw/zinc/29/45/73/583294573.db2.gz GAXAAMDRUHJABN-LURJTMIESA-N 2 0 174.248 -1.066 20 0 AAADRP C[C@@H]([NH3+])CN(C)C(=O)NCC[NH3+] 861638795 583294793 /nfs/dbraw/zinc/29/47/93/583294793.db2.gz GAXAAMDRUHJABN-ZCFIWIBFSA-N 2 0 174.248 -1.066 20 0 AAADRP C[C@@H](C[NH3+])NC(=O)N[C@@H]1CC[NH2+]C1 861642602 583294839 /nfs/dbraw/zinc/29/48/39/583294839.db2.gz CDANSVFGBGATQG-NKWVEPMBSA-N 2 0 186.259 -1.005 20 0 AAADRP C[C@H]([NH3+])CN(C)C(=O)COCC[NH3+] 877096047 583391640 /nfs/dbraw/zinc/39/16/40/583391640.db2.gz YDFMGKIEPHEEOL-ZETCQYMHSA-N 2 0 189.259 -1.233 20 0 AAADRP COC[C@H]([NH3+])C(=O)N(C)C[C@@H](C)[NH3+] 877102386 583391706 /nfs/dbraw/zinc/39/17/06/583391706.db2.gz GYNORRGYZJDBJC-RQJHMYQMSA-N 2 0 189.259 -1.234 20 0 AAADRP COC[C@H]([NH3+])C(=O)N(C)C[C@H](C)[NH3+] 877102383 583391733 /nfs/dbraw/zinc/39/17/33/583391733.db2.gz GYNORRGYZJDBJC-BQBZGAKWSA-N 2 0 189.259 -1.234 20 0 AAADRP C[C@@H]([NH3+])CN(C)C(=O)COCC[NH3+] 877096045 583391745 /nfs/dbraw/zinc/39/17/45/583391745.db2.gz YDFMGKIEPHEEOL-SSDOTTSWSA-N 2 0 189.259 -1.233 20 0 AAADRP CC[C@@H]([NH3+])CNC(=O)[C@H](C[NH3+])OC 884296607 583475671 /nfs/dbraw/zinc/47/56/71/583475671.db2.gz BJSQLHNKASKXAF-RQJHMYQMSA-N 2 0 189.259 -1.186 20 0 AAADRP CC[C@H]([NH3+])CNC(=O)[C@H](C[NH3+])OC 884296606 583476038 /nfs/dbraw/zinc/47/60/38/583476038.db2.gz BJSQLHNKASKXAF-BQBZGAKWSA-N 2 0 189.259 -1.186 20 0 AAADRP CCN(CC[NH3+])C(=O)[C@H](C[NH3+])OC 884432001 583476357 /nfs/dbraw/zinc/47/63/57/583476357.db2.gz OXKMNWUXKQIOIM-ZETCQYMHSA-N 2 0 189.259 -1.233 20 0 AAADRP CO[C@@H](C[NH3+])C(=O)N(C)C[C@H](C)[NH3+] 884444952 583477344 /nfs/dbraw/zinc/47/73/44/583477344.db2.gz ZUONISQRPAZORY-BQBZGAKWSA-N 2 0 189.259 -1.234 20 0 AAADRP CO[C@@H](C[NH3+])C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 884458215 583477674 /nfs/dbraw/zinc/47/76/74/583477674.db2.gz ZPSPBJBVBMMWHV-FXQIFTODSA-N 2 0 199.254 -1.467 20 0 AAADRP CO[C@@H](C[NH3+])C(=O)N(C)C[C@@H](C)[NH3+] 884444953 583477708 /nfs/dbraw/zinc/47/77/08/583477708.db2.gz ZUONISQRPAZORY-RQJHMYQMSA-N 2 0 189.259 -1.234 20 0 AAADRP C[NH2+]CCNC(=O)C[NH+](C)C 167913730 490059849 /nfs/dbraw/zinc/05/98/49/490059849.db2.gz KLSWGJMJHBYEKE-UHFFFAOYSA-N 2 0 159.233 -1.116 20 0 AAADRP O=C(N[C@H]1CC[NH2+]C1)[C@@H]1[C@H]2C[NH2+]C[C@H]21 306518520 490122569 /nfs/dbraw/zinc/12/25/69/490122569.db2.gz IEBLRSLSVOSCDO-RBXMUDONSA-N 2 0 195.266 -1.070 20 0 AAADRP C[C@H](C[NH3+])N(C)C(=O)C[NH3+] 306463900 491051630 /nfs/dbraw/zinc/05/16/30/491051630.db2.gz MBTOCDHQJQPZTC-RXMQYKEDSA-N 2 0 145.206 -1.249 20 0 AAADRP C[C@@H](C[NH3+])N(C)C(=O)C[NH3+] 306463901 491051648 /nfs/dbraw/zinc/05/16/48/491051648.db2.gz MBTOCDHQJQPZTC-YFKPBYRVSA-N 2 0 145.206 -1.249 20 0 AAADRP C[C@@H]([NH3+])CN1CC[NH+](CCO)CC1 58267532 1188769442 /nfs/dbraw/zinc/76/94/42/1188769442.db2.gz QMKKRQSDPNBOSW-SECBINFHSA-N 2 0 187.287 -1.057 20 0 AAADRP C[C@H]([NH3+])CN1CC[NH+](CCO)CC1 58267529 1188770189 /nfs/dbraw/zinc/77/01/89/1188770189.db2.gz QMKKRQSDPNBOSW-VIFPVBQESA-N 2 0 187.287 -1.057 20 0 AAADRP C[C@H](C[NH3+])NC(=O)CC[NH3+] 306503693 1188798874 /nfs/dbraw/zinc/79/88/74/1188798874.db2.gz QCRAXMWLOLNIBF-RXMQYKEDSA-N 2 0 145.206 -1.201 20 0 AAADRP C[NH2+]CC(=O)N[C@H](C)C[NH3+] 306727459 1188801006 /nfs/dbraw/zinc/80/10/06/1188801006.db2.gz BJTFZKZEGNTIHC-RXMQYKEDSA-N 2 0 145.206 -1.331 20 0 AAADRP [NH3+]CC(=O)N[C@H](C[NH3+])C1CC1 307691424 1188809146 /nfs/dbraw/zinc/80/91/46/1188809146.db2.gz PUHAPHVCHCHVAU-ZCFIWIBFSA-N 2 0 157.217 -1.201 20 0 AAADRP [NH3+]CC(=O)N[C@@H](C[NH3+])C1CC1 307691423 1188809308 /nfs/dbraw/zinc/80/93/08/1188809308.db2.gz PUHAPHVCHCHVAU-LURJTMIESA-N 2 0 157.217 -1.201 20 0 AAADRP C[NH2+]CCCNC(=O)[C@H](C[NH3+])OC 308650432 1188812751 /nfs/dbraw/zinc/81/27/51/1188812751.db2.gz KBQPXWUMJALWIB-ZETCQYMHSA-N 2 0 189.259 -1.314 20 0 AAADRP COC[C@H]([NH3+])C(=O)NC[C@@H](C)C[NH3+] 308634582 1188812423 /nfs/dbraw/zinc/81/24/23/1188812423.db2.gz BYZMFZVNIIGZGY-BQBZGAKWSA-N 2 0 189.259 -1.329 20 0 AAADRP CO[C@@H](C[NH3+])C(=O)NCC(C)(C)[NH3+] 308645147 1188812636 /nfs/dbraw/zinc/81/26/36/1188812636.db2.gz HCBJDSASOYFDSG-LURJTMIESA-N 2 0 189.259 -1.186 20 0 AAADRP C[C@@H]([NH3+])CN(CC[NH3+])CCO 379336828 1188816116 /nfs/dbraw/zinc/81/61/16/1188816116.db2.gz SVAHVWDHIULFQU-SSDOTTSWSA-N 2 0 161.249 -1.413 20 0 AAADRP C[C@H]([NH3+])CN(CC[NH3+])CCO 379336829 1188816511 /nfs/dbraw/zinc/81/65/11/1188816511.db2.gz SVAHVWDHIULFQU-ZETCQYMHSA-N 2 0 161.249 -1.413 20 0 AAADRP COC[C@H]([NH3+])C(=O)N[C@H](C)C[NH3+] 379377843 1188817610 /nfs/dbraw/zinc/81/76/10/1188817610.db2.gz ZDWULLAAUYDKQW-RITPCOANSA-N 2 0 175.232 -1.577 20 0 AAADRP C[C@H]([NH3+])CCNC(=O)COCC[NH3+] 389264764 1188820585 /nfs/dbraw/zinc/82/05/85/1188820585.db2.gz JAEJQJMZAIRBMZ-ZETCQYMHSA-N 2 0 189.259 -1.185 20 0 AAADRP CO[C@@H](C[NH3+])C(=O)NCC[C@H](C)[NH3+] 389272104 1188820599 /nfs/dbraw/zinc/82/05/99/1188820599.db2.gz MFJYEJKIAOOPBU-BQBZGAKWSA-N 2 0 189.259 -1.186 20 0 AAADRP [NH3+]CCN[C@H]1C[NH2+]CCOC1 1334391350 1188836762 /nfs/dbraw/zinc/83/67/62/1188836762.db2.gz SHLMHPVUUYBOKR-ZETCQYMHSA-N 2 0 159.233 -1.477 20 0 AAADRP [NH3+]CCN[C@@H]1C[NH2+]CCOC1 1334391346 1188836864 /nfs/dbraw/zinc/83/68/64/1188836864.db2.gz SHLMHPVUUYBOKR-SSDOTTSWSA-N 2 0 159.233 -1.477 20 0 AAADRP [NH3+]CCN1CCC([NH2+]CCO)CC1 1335527842 1188838193 /nfs/dbraw/zinc/83/81/93/1188838193.db2.gz FRRYUQDUCNMESR-UHFFFAOYSA-N 2 0 187.287 -1.009 20 0 AAADRP [NH3+]CCNC(=O)NCC1([NH3+])CC1 1335584995 1188838569 /nfs/dbraw/zinc/83/85/69/1188838569.db2.gz QSEWTUJFZLHITG-UHFFFAOYSA-N 2 0 172.232 -1.264 20 0 AAADRP C[C@@H]1C[NH2+]C[C@H]1C[NH2+]C(CO)CO 1579459776 1188846449 /nfs/dbraw/zinc/84/64/49/1188846449.db2.gz WYTYNXPISQTWAO-SFYZADRCSA-N 2 0 188.271 -1.215 20 0 AAADRP [NH3+]C[C@H](CO)C1C[NH2+]C1 215039438 697683629 /nfs/dbraw/zinc/68/36/29/697683629.db2.gz SPFBXVJUXXFCTG-RXMQYKEDSA-N 2 0 130.191 -1.227 20 0 AAADRP [NH3+]C[C@@H](CO)C1C[NH2+]C1 215039397 697683647 /nfs/dbraw/zinc/68/36/47/697683647.db2.gz SPFBXVJUXXFCTG-YFKPBYRVSA-N 2 0 130.191 -1.227 20 0 AAADRP CO[C@@H](C[NH3+])C(=O)NCC[NH+](C)C 227341758 697695756 /nfs/dbraw/zinc/69/57/56/697695756.db2.gz MWRIYOZMHZVJPW-ZETCQYMHSA-N 2 0 189.259 -1.362 20 0 AAADRP C[C@@H](C[NH3+])NC(=O)[C@@H]1[C@H]2C[NH2+]C[C@H]21 307684895 697749698 /nfs/dbraw/zinc/74/96/98/697749698.db2.gz WUKCKOLJGRSUPX-RULNZFCNSA-N 2 0 183.255 -1.085 20 0 AAADRP CO[C@@H](C[NH3+])C(=O)N(C)[C@H](C)C[NH3+] 379578170 697901307 /nfs/dbraw/zinc/90/13/07/697901307.db2.gz STFKKCAVICFIIN-RQJHMYQMSA-N 2 0 189.259 -1.234 20 0 AAADRP CO[C@@H](C[NH3+])C(=O)N(C)[C@@H](C)C[NH3+] 379578161 697901517 /nfs/dbraw/zinc/90/15/17/697901517.db2.gz STFKKCAVICFIIN-BQBZGAKWSA-N 2 0 189.259 -1.234 20 0 AAADRP CC[NH2+]CCNC(=O)[C@H](C[NH3+])OC 379620927 697905817 /nfs/dbraw/zinc/90/58/17/697905817.db2.gz FELUAQMBNRYRPM-ZETCQYMHSA-N 2 0 189.259 -1.314 20 0 AAADRP CNC(=[NH2+])NC[C@@]1(O)CC[N@H+](C)C1 606259709 698048372 /nfs/dbraw/zinc/04/83/72/698048372.db2.gz KZBXUYZWGHXGFR-QMMMGPOBSA-N 2 0 186.259 -1.203 20 0 AAADRP CNC(=[NH2+])NC[C@]1(O)CC[N@H+](C)C1 606259708 698048393 /nfs/dbraw/zinc/04/83/93/698048393.db2.gz KZBXUYZWGHXGFR-MRVPVSSYSA-N 2 0 186.259 -1.203 20 0 AAADRP C[C@@H]([NH3+])CN(C)C(=O)C[NH3+] 877094940 698143311 /nfs/dbraw/zinc/14/33/11/698143311.db2.gz FLUXUQUBIGYVAF-RXMQYKEDSA-N 2 0 145.206 -1.249 20 0 AAADRP C[C@@H]([NH3+])CN(C)C(=O)C1(O)C[NH2+]C1 877104228 698143341 /nfs/dbraw/zinc/14/33/41/698143341.db2.gz FVEBYHJLGHWSAO-ZCFIWIBFSA-N 2 0 187.243 -1.874 20 0 AAADRP C[C@H]([NH3+])CN(C)C(=O)C[NH3+] 877094947 698143358 /nfs/dbraw/zinc/14/33/58/698143358.db2.gz FLUXUQUBIGYVAF-YFKPBYRVSA-N 2 0 145.206 -1.249 20 0 AAADRP C[C@H]([NH3+])CN(C)C(=O)C1(O)C[NH2+]C1 877104227 698143368 /nfs/dbraw/zinc/14/33/68/698143368.db2.gz FVEBYHJLGHWSAO-LURJTMIESA-N 2 0 187.243 -1.874 20 0 AAADRP C1C[C@@H](NC[C@@H]2COCC[NH2+]2)C[NH2+]1 527532148 325646634 /nfs/dbraw/zinc/64/66/34/325646634.db2.gz JKIAGGVLMRFVRO-RKDXNWHRSA-N 2 0 185.271 -1.074 20 0 AAADRP C1C[C@H](NC[C@@H]2COCC[NH2+]2)C[NH2+]1 527532145 325646637 /nfs/dbraw/zinc/64/66/37/325646637.db2.gz JKIAGGVLMRFVRO-DTWKUNHWSA-N 2 0 185.271 -1.074 20 0 AAADRP C1C[C@H](NC[C@H]2COCC[NH2+]2)C[NH2+]1 527532146 325646641 /nfs/dbraw/zinc/64/66/41/325646641.db2.gz JKIAGGVLMRFVRO-IUCAKERBSA-N 2 0 185.271 -1.074 20 0 AAADRP C1C[C@@H](NC[C@H]2COCC[NH2+]2)C[NH2+]1 527532140 325646648 /nfs/dbraw/zinc/64/66/48/325646648.db2.gz JKIAGGVLMRFVRO-BDAKNGLRSA-N 2 0 185.271 -1.074 20 0 AAADRP CC[NH2+]CC(=O)NCC[NH3+] 44651348 167260317 /nfs/dbraw/zinc/26/03/17/167260317.db2.gz NTIRWTKCBNJXSS-UHFFFAOYSA-N 2 0 145.206 -1.329 20 0 AAADRP C[NH2+]CCC(=O)NCC[NH3+] 44467207 167990590 /nfs/dbraw/zinc/99/05/90/167990590.db2.gz XUPMOMOXYANUKL-UHFFFAOYSA-N 2 0 145.206 -1.329 20 0 AAADRP C[NH2+][C@@H](C)C(=O)NCC[NH3+] 54076277 168030668 /nfs/dbraw/zinc/03/06/68/168030668.db2.gz UJONCADMIHCLDN-YFKPBYRVSA-N 2 0 145.206 -1.331 20 0 AAADRP COC[C@H]([NH3+])C(=O)NCc1ncc[nH]1 83342893 168189167 /nfs/dbraw/zinc/18/91/67/168189167.db2.gz UNIALVPDENGDFK-LURJTMIESA-N 2 0 198.226 -1.000 20 0 AAADRP C[C@@H](C[NH3+])C(=O)NCC[NH3+] 54344073 168340554 /nfs/dbraw/zinc/34/05/54/168340554.db2.gz GMAYESDJAGBZEL-YFKPBYRVSA-N 2 0 145.206 -1.344 20 0 AAADRP C[C@@H]([NH3+])C(=O)N1CC[NH2+]CC1 35728236 168357656 /nfs/dbraw/zinc/35/76/56/168357656.db2.gz QHEOODFMEZZILH-ZCFIWIBFSA-N 2 0 157.217 -1.235 20 0 AAADRP C[C@@H]([NH3+])CC(=O)NCC[NH3+] 48596106 168360154 /nfs/dbraw/zinc/36/01/54/168360154.db2.gz XHDGSAWBAXRGGU-RXMQYKEDSA-N 2 0 145.206 -1.201 20 0 AAADRP C[C@H]([NH3+])CC(=O)NCC[NH3+] 48596104 168546581 /nfs/dbraw/zinc/54/65/81/168546581.db2.gz XHDGSAWBAXRGGU-YFKPBYRVSA-N 2 0 145.206 -1.201 20 0 AAADRP [NH3+]CCCC(=O)NCC[NH3+] 13444051 169180134 /nfs/dbraw/zinc/18/01/34/169180134.db2.gz CEYJFTAMLZWWKY-UHFFFAOYSA-N 2 0 145.206 -1.200 20 0 AAADRP [NH3+]CCCCNC(=O)C[NH3+] 40832440 169182893 /nfs/dbraw/zinc/18/28/93/169182893.db2.gz JVQJNGHFZWCHHG-UHFFFAOYSA-N 2 0 145.206 -1.200 20 0 AAADRP [NH3+]CCN(CC[NH3+])CCO 19369269 169187065 /nfs/dbraw/zinc/18/70/65/169187065.db2.gz WUXYGKZSOBYDPP-UHFFFAOYSA-N 2 0 147.222 -1.802 20 0 AAADRP [NH3+]CCNC(=O)[C@@H]1C[NH2+]CCO1 43800893 169188244 /nfs/dbraw/zinc/18/82/44/169188244.db2.gz KBDYCDAOHOSZAC-LURJTMIESA-N 2 0 173.216 -1.950 20 0 AAADRP [NH3+]CCNC(=O)CN1CC[NH2+]CC1 40832348 169188259 /nfs/dbraw/zinc/18/82/59/169188259.db2.gz RVVBHGQHQYPADP-UHFFFAOYSA-N 2 0 186.259 -2.034 20 0 AAADRP [NH3+]CCNC(=O)[C@@H]1CCC[NH2+]1 40832313 169188286 /nfs/dbraw/zinc/18/82/86/169188286.db2.gz OXFPZYXIEGSJMN-LURJTMIESA-N 2 0 157.217 -1.187 20 0 AAADRP [NH3+]CCNC(=O)[C@H]1C[NH2+]CCO1 43800894 169188860 /nfs/dbraw/zinc/18/88/60/169188860.db2.gz KBDYCDAOHOSZAC-ZCFIWIBFSA-N 2 0 173.216 -1.950 20 0 AAADRP [NH3+]CCNC(=O)[C@H]1CCC[NH2+]1 40832312 169188964 /nfs/dbraw/zinc/18/89/64/169188964.db2.gz OXFPZYXIEGSJMN-ZCFIWIBFSA-N 2 0 157.217 -1.187 20 0 AAADRP [NH3+]CCNC(=O)C[NH2+]C1CC1 48596108 169189022 /nfs/dbraw/zinc/18/90/22/169189022.db2.gz MFBDDQZSQOWSGB-UHFFFAOYSA-N 2 0 157.217 -1.187 20 0 AAADRP [NH3+]C[C@@H]1C[NH2+]CCN1 22028884 169209949 /nfs/dbraw/zinc/20/99/49/169209949.db2.gz WNUMKDXJNNTPIU-RXMQYKEDSA-N 2 0 115.180 -1.494 20 0 AAADRP N[C@@H]1C[NH2+][C@H](CO)C1 72266180 169256307 /nfs/dbraw/zinc/25/63/07/169256307.db2.gz GATJYQXOTIFFMS-WHFBIAKZSA-N 2 0 116.164 -1.332 20 0 AAADRP N[C@@H]1C[NH2+]C[C@H]1O 34413647 169256495 /nfs/dbraw/zinc/25/64/95/169256495.db2.gz ZCZJKVCIYONNJR-QWWZWVQMSA-N 2 0 102.137 -1.722 20 0 AAADRP N[C@@H]1C[NH2+]C[C@H]1N 39118123 169256544 /nfs/dbraw/zinc/25/65/44/169256544.db2.gz WCOQAGPRGRKKLM-QWWZWVQMSA-N 2 0 101.153 -1.756 20 0 in-vitro AAADRP N[C@@H]1C[NH2+]C[C@@H]1O 34479421 169257010 /nfs/dbraw/zinc/25/70/10/169257010.db2.gz ZCZJKVCIYONNJR-DMTCNVIQSA-N 2 0 102.137 -1.722 20 0 AAADRP [NH3+][C@H]1CO[C@@H]2[C@H]([NH3+])CO[C@H]12 104556881 169277069 /nfs/dbraw/zinc/27/70/69/169277069.db2.gz XHQWSUCHPAVLNQ-JGWLITMVSA-N 2 0 144.174 -1.561 20 0 AAADRP [NH3+]C[C@H]1C[NH2+]CCN1 22816713 169217654 /nfs/dbraw/zinc/21/76/54/169217654.db2.gz WNUMKDXJNNTPIU-YFKPBYRVSA-N 2 0 115.180 -1.494 20 0 AAADRP O=C([C@H]1C[NH2+]CCO1)N1CC[NH2+]CC1 43708072 169363158 /nfs/dbraw/zinc/36/31/58/169363158.db2.gz UVKHGPPHVNIEMC-MRVPVSSYSA-N 2 0 199.254 -1.593 20 0 AAADRP C[C@H](C[NH3+])NC(=O)C1([NH3+])CC1 306994758 345740642 /nfs/dbraw/zinc/74/06/42/345740642.db2.gz OGZKRLVFJXUAEJ-RXMQYKEDSA-N 2 0 157.217 -1.059 20 0 AAADRP C[NH+](C)CC(=O)NCC[NH3+] 40605537 207352645 /nfs/dbraw/zinc/35/26/45/207352645.db2.gz USWWOHILWWCQDU-UHFFFAOYSA-N 2 0 145.206 -1.377 20 0 AAADRP C[NH2+]C[C@@](C)(O)CN1CC[C@H]([NH3+])C1 652335593 409353276 /nfs/dbraw/zinc/35/32/76/409353276.db2.gz TZEKJHMKCWDOLH-DTWKUNHWSA-N 2 0 187.287 -1.010 20 0 AAADRP CN(CC[NH3+])CCN(C)CC[NH3+] 34479412 343120072 /nfs/dbraw/zinc/12/00/72/343120072.db2.gz DPXZYPCARKJGQV-UHFFFAOYSA-N 2 0 174.292 -1.233 20 0 AAADRP C[NH2+]CC(=O)N1CC[NH2+]CC1 35206625 343129888 /nfs/dbraw/zinc/12/98/88/343129888.db2.gz UGEDDILEVKGDKZ-UHFFFAOYSA-N 2 0 157.217 -1.362 20 0 AAADRP OCC[NH+]1CCN(C2C[NH2+]C2)CC1 62810205 343381136 /nfs/dbraw/zinc/38/11/36/343381136.db2.gz IDHJBRHDZRYASQ-UHFFFAOYSA-N 2 0 185.271 -1.432 20 0 AAADRP C[NH2+]CCN(C)C(=O)C[NH3+] 69803325 343443656 /nfs/dbraw/zinc/44/36/56/343443656.db2.gz YXCUFZBFBHTSPI-UHFFFAOYSA-N 2 0 145.206 -1.377 20 0 AAADRP NC(=[NH2+])NCCCN1CC[NH2+]CC1 71257263 343551606 /nfs/dbraw/zinc/55/16/06/343551606.db2.gz QRVHAHDOXUZXBP-UHFFFAOYSA-N 2 0 185.275 -1.235 20 0 AAADRP [NH3+]CC(=O)NC[C@@H]1CCC[NH2+]1 145685583 344035056 /nfs/dbraw/zinc/03/50/56/344035056.db2.gz PYMSDEZFERSTLT-LURJTMIESA-N 2 0 157.217 -1.187 20 0 AAADRP [NH3+]CC(=O)N[C@@H]1CC[NH2+]C1 163921461 344233293 /nfs/dbraw/zinc/23/32/93/344233293.db2.gz VPZCMAAEGVLEOX-RXMQYKEDSA-N 2 0 143.190 -1.577 20 0 AAADRP [NH3+]CC(=O)N[C@H]1CC[NH2+]C1 163921552 344233431 /nfs/dbraw/zinc/23/34/31/344233431.db2.gz VPZCMAAEGVLEOX-YFKPBYRVSA-N 2 0 143.190 -1.577 20 0 AAADRP C[C@@H]([NH3+])C(=O)N[C@@H]1CC[NH2+]C1 215867385 344393738 /nfs/dbraw/zinc/39/37/38/344393738.db2.gz FSSLCAHSUJEAGX-PHDIDXHHSA-N 2 0 157.217 -1.188 20 0 AAADRP C[C@@H]([NH3+])C(=O)N[C@H]1CC[NH2+]C1 215867439 344393746 /nfs/dbraw/zinc/39/37/46/344393746.db2.gz FSSLCAHSUJEAGX-RITPCOANSA-N 2 0 157.217 -1.188 20 0 AAADRP CN(C(=O)C[NH3+])[C@H]1CC[NH2+]C1 218667349 344414741 /nfs/dbraw/zinc/41/47/41/344414741.db2.gz YGAHJMVAXBJQCP-LURJTMIESA-N 2 0 157.217 -1.235 20 0 AAADRP [NH3+]CC(=O)N1CC[C@H]([NH3+])C1 218677017 344414907 /nfs/dbraw/zinc/41/49/07/344414907.db2.gz MRCYPKMRHAATKD-YFKPBYRVSA-N 2 0 143.190 -1.495 20 0 AAADRP CN(C(=O)C[NH3+])[C@@H]1CC[NH2+]C1 218667293 344415001 /nfs/dbraw/zinc/41/50/01/344415001.db2.gz YGAHJMVAXBJQCP-ZCFIWIBFSA-N 2 0 157.217 -1.235 20 0 AAADRP [NH3+]CC(=O)N[C@@H]1CCC[NH2+]C1 218664678 344415038 /nfs/dbraw/zinc/41/50/38/344415038.db2.gz BDFATFAXGFOZDN-ZCFIWIBFSA-N 2 0 157.217 -1.187 20 0 AAADRP [NH3+]CC(=O)NC[C@H]1CCC[NH2+]1 218940772 344418494 /nfs/dbraw/zinc/41/84/94/344418494.db2.gz PYMSDEZFERSTLT-ZCFIWIBFSA-N 2 0 157.217 -1.187 20 0 AAADRP NC[C@@H]1CC[NH+]=C(N)N1 222261508 344450689 /nfs/dbraw/zinc/45/06/89/344450689.db2.gz SWAJPWLQYXQMRO-BYPYZUCNSA-N 2 0 128.179 -1.378 20 0 AAADRP NC[C@H]1CC[NH+]=C(N)N1 222261567 344450802 /nfs/dbraw/zinc/45/08/02/344450802.db2.gz SWAJPWLQYXQMRO-SCSAIBSYSA-N 2 0 128.179 -1.378 20 0 AAADRP [NH3+]CCC(=O)N[C@@H]1CC[NH2+]C1 231282178 344650012 /nfs/dbraw/zinc/65/00/12/344650012.db2.gz LPINBWHGCHJLAP-ZCFIWIBFSA-N 2 0 157.217 -1.187 20 0 AAADRP [NH3+]CCC(=O)N[C@H]1CC[NH2+]C1 231282189 344650047 /nfs/dbraw/zinc/65/00/47/344650047.db2.gz LPINBWHGCHJLAP-LURJTMIESA-N 2 0 157.217 -1.187 20 0 AAADRP C[C@@H](C(N)=O)[N@H+](C)CCOCC[NH3+] 301052693 345034653 /nfs/dbraw/zinc/03/46/53/345034653.db2.gz WQRNGHOLIOBGCS-ZETCQYMHSA-N 2 0 189.259 -1.233 20 0 AAADRP C[C@H](C(N)=O)[N@H+](C)CCOCC[NH3+] 301052692 345034799 /nfs/dbraw/zinc/03/47/99/345034799.db2.gz WQRNGHOLIOBGCS-SSDOTTSWSA-N 2 0 189.259 -1.233 20 0 AAADRP [NH3+]C1(C(=O)N[C@H]2CC[NH2+]C2)CC1 306176736 345066854 /nfs/dbraw/zinc/06/68/54/345066854.db2.gz NQMWPPZEGHLTLV-LURJTMIESA-N 2 0 169.228 -1.044 20 0 AAADRP [NH3+]C1(C(=O)N[C@@H]2CC[NH2+]C2)CC1 306176737 345067483 /nfs/dbraw/zinc/06/74/83/345067483.db2.gz NQMWPPZEGHLTLV-ZCFIWIBFSA-N 2 0 169.228 -1.044 20 0 AAADRP [NH3+]C1(C(=O)N[C@H]2[C@@H]3C[NH2+]C[C@@H]32)CC1 306227431 345120485 /nfs/dbraw/zinc/12/04/85/345120485.db2.gz WOFNJZPCWZEUFA-ZMONIFLSSA-N 2 0 181.239 -1.188 20 0 AAADRP O=C(N[C@H]1[C@@H]2C[NH2+]C[C@@H]21)[C@H]1CC[NH2+]1 306274457 345162454 /nfs/dbraw/zinc/16/24/54/345162454.db2.gz FMWRNUJTLIXGLU-CWKFCGSDSA-N 2 0 181.239 -1.318 20 0 AAADRP O=C([C@H]1CC[NH2+]1)N1CC[NH2+]CC1 306288863 345171457 /nfs/dbraw/zinc/17/14/57/345171457.db2.gz NNSTVKSLEUHZOD-SSDOTTSWSA-N 2 0 169.228 -1.220 20 0 AAADRP C[C@@H]([NH3+])CNC(=O)[C@@H](C)[NH3+] 306313231 345192194 /nfs/dbraw/zinc/19/21/94/345192194.db2.gz MBYXUHIWSVCTPF-RFZPGFLSSA-N 2 0 145.206 -1.203 20 0 AAADRP C[C@H]([NH3+])CNC(=O)[C@@H](C)[NH3+] 306313230 345191778 /nfs/dbraw/zinc/19/17/78/345191778.db2.gz MBYXUHIWSVCTPF-CRCLSJGQSA-N 2 0 145.206 -1.203 20 0 AAADRP C[C@H]([NH3+])C(=O)N1CC[C@@H]([NH3+])C1 306323564 345201517 /nfs/dbraw/zinc/20/15/17/345201517.db2.gz VLFRWAGSKCTPEA-NTSWFWBYSA-N 2 0 157.217 -1.107 20 0 AAADRP [NH3+]CCC(=O)N1CC[C@H]([NH3+])C1 306331230 345207934 /nfs/dbraw/zinc/20/79/34/345207934.db2.gz PXVVHMJYMLLAQC-LURJTMIESA-N 2 0 157.217 -1.105 20 0 AAADRP [NH3+]CCC(=O)N1CC[C@@H]([NH3+])C1 306331231 345208118 /nfs/dbraw/zinc/20/81/18/345208118.db2.gz PXVVHMJYMLLAQC-ZCFIWIBFSA-N 2 0 157.217 -1.105 20 0 AAADRP C[C@@H]1C[NH2+]CCN1C(=O)C[NH3+] 306358725 345229927 /nfs/dbraw/zinc/22/99/27/345229927.db2.gz BIYDOPVWFZUKQY-ZCFIWIBFSA-N 2 0 157.217 -1.235 20 0 AAADRP C[C@H]1C[NH2+]CCN1C(=O)C[NH3+] 306364617 345234257 /nfs/dbraw/zinc/23/42/57/345234257.db2.gz BIYDOPVWFZUKQY-LURJTMIESA-N 2 0 157.217 -1.235 20 0 AAADRP C[C@H]([NH3+])CN1CCO[C@H](C[NH3+])C1 306425667 345282207 /nfs/dbraw/zinc/28/22/07/345282207.db2.gz HLTNXIADMPTUFW-JGVFFNPUSA-N 2 0 173.260 -1.007 20 0 AAADRP C[C@@H]([NH3+])CN1CCO[C@H](C[NH3+])C1 306425665 345282307 /nfs/dbraw/zinc/28/23/07/345282307.db2.gz HLTNXIADMPTUFW-HTQZYQBOSA-N 2 0 173.260 -1.007 20 0 AAADRP C[C@H]([NH3+])CN1CCO[C@@H](C[NH3+])C1 306425671 345282982 /nfs/dbraw/zinc/28/29/82/345282982.db2.gz HLTNXIADMPTUFW-YUMQZZPRSA-N 2 0 173.260 -1.007 20 0 AAADRP C[C@@H]([NH3+])CN1CCO[C@@H](C[NH3+])C1 306425669 345283354 /nfs/dbraw/zinc/28/33/54/345283354.db2.gz HLTNXIADMPTUFW-SFYZADRCSA-N 2 0 173.260 -1.007 20 0 AAADRP C[C@@H]([NH3+])C(=O)N1CC[C@H]([NH3+])C1 306446940 345306955 /nfs/dbraw/zinc/30/69/55/345306955.db2.gz VLFRWAGSKCTPEA-RITPCOANSA-N 2 0 157.217 -1.107 20 0 AAADRP C[C@@H]([NH3+])C(=O)N1CC[C@@H]([NH3+])C1 306446938 345307117 /nfs/dbraw/zinc/30/71/17/345307117.db2.gz VLFRWAGSKCTPEA-PHDIDXHHSA-N 2 0 157.217 -1.107 20 0 AAADRP C[C@H]([NH3+])C(=O)NC[C@@H](C)[NH3+] 306463902 345323967 /nfs/dbraw/zinc/32/39/67/345323967.db2.gz MBYXUHIWSVCTPF-UHNVWZDZSA-N 2 0 145.206 -1.203 20 0 AAADRP C[C@H]([NH3+])CNC(=O)[C@H](C)[NH3+] 306463903 345324094 /nfs/dbraw/zinc/32/40/94/345324094.db2.gz MBYXUHIWSVCTPF-WHFBIAKZSA-N 2 0 145.206 -1.203 20 0 AAADRP [NH3+]CC(=O)N[C@H]1[C@@H]2C[NH2+]C[C@@H]21 306464536 345325040 /nfs/dbraw/zinc/32/50/40/345325040.db2.gz IHGPVIGKVVKSBR-KCQQBQQISA-N 2 0 155.201 -1.721 20 0 AAADRP C[C@@H]([NH3+])CNC(=O)[C@@H]1C[NH2+]CCO1 306469120 345331214 /nfs/dbraw/zinc/33/12/14/345331214.db2.gz OTZIPYAYGWNFOJ-RQJHMYQMSA-N 2 0 187.243 -1.562 20 0 AAADRP C[C@H]([NH3+])CNC(=O)[C@@H]1C[NH2+]CCO1 306469118 345331226 /nfs/dbraw/zinc/33/12/26/345331226.db2.gz OTZIPYAYGWNFOJ-BQBZGAKWSA-N 2 0 187.243 -1.562 20 0 AAADRP C[C@@H]([NH3+])CNC(=O)C1([NH3+])CC1 306472923 345336797 /nfs/dbraw/zinc/33/67/97/345336797.db2.gz UHWPBTZJSADLBK-RXMQYKEDSA-N 2 0 157.217 -1.059 20 0 AAADRP C[C@H]([NH3+])CNC(=O)C1([NH3+])CC1 306472924 345337011 /nfs/dbraw/zinc/33/70/11/345337011.db2.gz UHWPBTZJSADLBK-YFKPBYRVSA-N 2 0 157.217 -1.059 20 0 AAADRP [NH3+]CC(=O)NCC1([NH3+])CCC1 306488842 345359320 /nfs/dbraw/zinc/35/93/20/345359320.db2.gz VMUHAKPPJQRMFS-UHFFFAOYSA-N 2 0 157.217 -1.057 20 0 AAADRP C[C@@H](C[NH3+])NC(=O)C1([NH3+])CC1 306501838 345376085 /nfs/dbraw/zinc/37/60/85/345376085.db2.gz OGZKRLVFJXUAEJ-YFKPBYRVSA-N 2 0 157.217 -1.059 20 0 AAADRP C[C@H]1CN(C(=O)C[NH3+])CC[NH2+]1 306505300 345379115 /nfs/dbraw/zinc/37/91/15/345379115.db2.gz FBZILXDPWDXPQM-LURJTMIESA-N 2 0 157.217 -1.235 20 0 AAADRP C[C@@H](C[NH3+])NC(=O)[C@H]1CC[NH2+]1 306515278 345386511 /nfs/dbraw/zinc/38/65/11/345386511.db2.gz WCILGKJWJYSLIP-NTSWFWBYSA-N 2 0 157.217 -1.188 20 0 AAADRP O=C(N[C@H]1CC[NH2+]C1)[C@H]1C[NH2+]CCO1 306524942 345397012 /nfs/dbraw/zinc/39/70/12/345397012.db2.gz OQQPSMJVVFQHCK-JGVFFNPUSA-N 2 0 199.254 -1.547 20 0 AAADRP O=C(N[C@@H]1CC[NH2+]C1)[C@H]1C[NH2+]CCO1 306524941 345397051 /nfs/dbraw/zinc/39/70/51/345397051.db2.gz OQQPSMJVVFQHCK-HTQZYQBOSA-N 2 0 199.254 -1.547 20 0 AAADRP O=C(N[C@@H]1CC[NH2+]C1)[C@@H]1C[NH2+]CCO1 306524943 345397080 /nfs/dbraw/zinc/39/70/80/345397080.db2.gz OQQPSMJVVFQHCK-SFYZADRCSA-N 2 0 199.254 -1.547 20 0 AAADRP O=C(N[C@H]1CC[NH2+]C1)[C@@H]1C[NH2+]CCO1 306524944 345397168 /nfs/dbraw/zinc/39/71/68/345397168.db2.gz OQQPSMJVVFQHCK-YUMQZZPRSA-N 2 0 199.254 -1.547 20 0 AAADRP C[C@@H]1CN(C(=O)C[NH3+])CC[NH2+]1 306528958 345400440 /nfs/dbraw/zinc/40/04/40/345400440.db2.gz FBZILXDPWDXPQM-ZCFIWIBFSA-N 2 0 157.217 -1.235 20 0 AAADRP [NH3+]CC(=O)N[C@H]1CCC[NH2+]C1 306645035 345514335 /nfs/dbraw/zinc/51/43/35/345514335.db2.gz BDFATFAXGFOZDN-LURJTMIESA-N 2 0 157.217 -1.187 20 0 AAADRP C[C@H]([NH3+])C(=O)N1CC[C@H]([NH3+])C1 306667417 345530163 /nfs/dbraw/zinc/53/01/63/345530163.db2.gz VLFRWAGSKCTPEA-WDSKDSINSA-N 2 0 157.217 -1.107 20 0 AAADRP C[NH2+]CC(=O)N[C@H]1CC[NH2+]C1 306682396 345544015 /nfs/dbraw/zinc/54/40/15/345544015.db2.gz RAFUUADCFOJBJX-LURJTMIESA-N 2 0 157.217 -1.316 20 0 AAADRP C[NH2+]CC(=O)N[C@@H]1CC[NH2+]C1 306682397 345544029 /nfs/dbraw/zinc/54/40/29/345544029.db2.gz RAFUUADCFOJBJX-ZCFIWIBFSA-N 2 0 157.217 -1.316 20 0 AAADRP [NH3+]CC(=O)N1CCC[C@@H]([NH3+])C1 306711439 345564542 /nfs/dbraw/zinc/56/45/42/345564542.db2.gz XVHLDSBBETXLFC-ZCFIWIBFSA-N 2 0 157.217 -1.105 20 0 AAADRP [NH3+]CC(=O)N1CCC[C@H]([NH3+])C1 306711436 345564624 /nfs/dbraw/zinc/56/46/24/345564624.db2.gz XVHLDSBBETXLFC-LURJTMIESA-N 2 0 157.217 -1.105 20 0 AAADRP C[NH2+]CC(=O)N[C@H]1[C@@H]2C[NH2+]C[C@@H]21 306730212 345579215 /nfs/dbraw/zinc/57/92/15/345579215.db2.gz PHILZYCBVALQBF-BDINMYNLSA-N 2 0 169.228 -1.460 20 0 AAADRP C[C@@H](C[NH3+])NC(=O)[C@H]1C[NH2+]CCO1 306758125 345594605 /nfs/dbraw/zinc/59/46/05/345594605.db2.gz OCTIJLBVRTVDTP-NKWVEPMBSA-N 2 0 187.243 -1.562 20 0 AAADRP O[C@@H]1C[NH2+]C[C@H]1N1C[C@@H]2C[NH2+]C[C@@H]2C1 306770567 345604205 /nfs/dbraw/zinc/60/42/05/345604205.db2.gz BTRJXAZDNFOGGD-UTINFBMNSA-N 2 0 197.282 -1.530 20 0 AAADRP NC(=[NH2+])NC[C@H]1C[NH+]2CCN1CC2 306832735 345645172 /nfs/dbraw/zinc/64/51/72/345645172.db2.gz OOIGRNJCIXGGBI-ZETCQYMHSA-N 2 0 183.259 -1.531 20 0 AAADRP NC(=[NH2+])NC[C@@H]1C[NH+]2CCN1CC2 306832734 345645404 /nfs/dbraw/zinc/64/54/04/345645404.db2.gz OOIGRNJCIXGGBI-SSDOTTSWSA-N 2 0 183.259 -1.531 20 0 AAADRP [NH3+]CCN1CCO[C@@H](C[NH3+])C1 306945176 345711292 /nfs/dbraw/zinc/71/12/92/345711292.db2.gz KDTYRNJUCGMCSP-ZETCQYMHSA-N 2 0 159.233 -1.395 20 0 AAADRP [NH3+]CCN1CCO[C@H](C[NH3+])C1 306945175 345711345 /nfs/dbraw/zinc/71/13/45/345711345.db2.gz KDTYRNJUCGMCSP-SSDOTTSWSA-N 2 0 159.233 -1.395 20 0 AAADRP [NH3+]CC(=O)N1CC[C@@H]([NH3+])C1 307085717 345801801 /nfs/dbraw/zinc/80/18/01/345801801.db2.gz MRCYPKMRHAATKD-RXMQYKEDSA-N 2 0 143.190 -1.495 20 0 AAADRP C[NH+]1CCC(O)(CNC(N)=[NH2+])CC1 307182611 345871652 /nfs/dbraw/zinc/87/16/52/345871652.db2.gz OJDFPWJJOSJWBI-UHFFFAOYSA-N 2 0 186.259 -1.074 20 0 AAADRP [NH3+]CC(=O)N1CCC[C@@H]1C[NH3+] 307365443 345996916 /nfs/dbraw/zinc/99/69/16/345996916.db2.gz JPWRBUPAHDZKIE-ZCFIWIBFSA-N 2 0 157.217 -1.105 20 0 AAADRP C[C@H](C[NH3+])NC(=O)[C@H]1CC[NH2+]1 307373076 346002007 /nfs/dbraw/zinc/00/20/07/346002007.db2.gz WCILGKJWJYSLIP-PHDIDXHHSA-N 2 0 157.217 -1.188 20 0 AAADRP C[C@@H]1CN([C@@H]2C[NH2+]C[C@H]2O)C[C@H]1O 307465176 346056987 /nfs/dbraw/zinc/05/69/87/346056987.db2.gz CXIKLTMHQNQUFN-FNCVBFRFSA-N 2 0 186.255 -1.368 20 0 AAADRP C[C@@H]1CN([C@@H]2C[NH2+]C[C@H]2O)C[C@@H]1O 307465172 346057280 /nfs/dbraw/zinc/05/72/80/346057280.db2.gz CXIKLTMHQNQUFN-BGZDPUMWSA-N 2 0 186.255 -1.368 20 0 AAADRP CC1(C(=O)NCC[NH3+])C[NH2+]C1 307575868 346123641 /nfs/dbraw/zinc/12/36/41/346123641.db2.gz LCWGKNXQBUPKEZ-UHFFFAOYSA-N 2 0 157.217 -1.329 20 0 AAADRP [NH3+]CC(=O)N1C[C@@H]2C[NH2+]C[C@@H]2C1 307706652 346194779 /nfs/dbraw/zinc/19/47/79/346194779.db2.gz GDWJKBZRPKCPMV-KNVOCYPGSA-N 2 0 169.228 -1.377 20 0 AAADRP CC(C)(C[NH3+])NC(=O)C[NH3+] 307758401 346225850 /nfs/dbraw/zinc/22/58/50/346225850.db2.gz ONPHZOQABZPHGG-UHFFFAOYSA-N 2 0 145.206 -1.201 20 0 AAADRP CN(CC[NH3+])C(=O)[C@@H]1C[C@@H]1[NH3+] 335283943 346385595 /nfs/dbraw/zinc/38/55/95/346385595.db2.gz WREXTLAUZDINLV-RITPCOANSA-N 2 0 157.217 -1.249 20 0 AAADRP CC1(C(=O)N[C@H]2[C@@H]3C[NH2+]C[C@@H]32)C[NH2+]C1 335471467 346399696 /nfs/dbraw/zinc/39/96/96/346399696.db2.gz SEOMEDAYCTVKPL-JIGDXULJSA-N 2 0 195.266 -1.070 20 0 AAADRP C[C@]1(NC(=O)NCC[NH3+])CC[NH2+]C1 612912530 347053253 /nfs/dbraw/zinc/05/32/53/347053253.db2.gz WZCXISQWYIOHHM-QMMMGPOBSA-N 2 0 186.259 -1.004 20 0 AAADRP C[C@@]1(NC(=O)NCC[NH3+])CC[NH2+]C1 612912529 347053548 /nfs/dbraw/zinc/05/35/48/347053548.db2.gz WZCXISQWYIOHHM-MRVPVSSYSA-N 2 0 186.259 -1.004 20 0 AAADRP [NH3+]CCN1CCCO[C@@H](C[NH3+])C1 616652199 347152746 /nfs/dbraw/zinc/15/27/46/347152746.db2.gz DWDIRNQXYXZBAD-QMMMGPOBSA-N 2 0 173.260 -1.005 20 0 AAADRP [NH3+]CCN1CCCO[C@H](C[NH3+])C1 616678055 347167112 /nfs/dbraw/zinc/16/71/12/347167112.db2.gz DWDIRNQXYXZBAD-MRVPVSSYSA-N 2 0 173.260 -1.005 20 0 AAADRP C[C@H]([NH3+])CCNC(=O)C1(O)C[NH2+]C1 621703858 347231052 /nfs/dbraw/zinc/23/10/52/347231052.db2.gz XJXSGLCSWPTYLQ-LURJTMIESA-N 2 0 187.243 -1.826 20 0 AAADRP C[NH+](C)CCNc1nc(N)[nH+]c(N)n1 623789065 347264305 /nfs/dbraw/zinc/26/43/05/347264305.db2.gz AOPLOMSBHXSMRN-UHFFFAOYSA-N 2 0 197.246 -1.908 20 0 AAADRP CCN(CC[NH3+])C(=O)NCC[NH3+] 627066434 347302914 /nfs/dbraw/zinc/30/29/14/347302914.db2.gz MSIIVYNEMXMLMZ-UHFFFAOYSA-N 2 0 174.248 -1.065 20 0 AAADRP C[NH2+]CCNC(=O)N[C@@H]1CC[NH2+]C1 627071299 347302958 /nfs/dbraw/zinc/30/29/58/347302958.db2.gz FTGLCFZGERIUFS-SSDOTTSWSA-N 2 0 186.259 -1.133 20 0 AAADRP C[C@@H]([NH3+])CNC(=O)N[C@@H]1CC[NH2+]C1 627089662 347303382 /nfs/dbraw/zinc/30/33/82/347303382.db2.gz LLHBQXHDJXZCJO-RNFRBKRXSA-N 2 0 186.259 -1.005 20 0 AAADRP C[C@H](C[NH3+])NC(=O)N[C@@H]1CC[NH2+]C1 627084724 347303400 /nfs/dbraw/zinc/30/34/00/347303400.db2.gz CDANSVFGBGATQG-RNFRBKRXSA-N 2 0 186.259 -1.005 20 0 AAADRP C[C@H]([NH3+])CNC(=O)N[C@@H]1CC[NH2+]C1 627089660 347303550 /nfs/dbraw/zinc/30/35/50/347303550.db2.gz LLHBQXHDJXZCJO-NKWVEPMBSA-N 2 0 186.259 -1.005 20 0 AAADRP CN(CC[NH3+])C(=O)N[C@@H]1CC[NH2+]C1 627251862 347305365 /nfs/dbraw/zinc/30/53/65/347305365.db2.gz CHECLRPFTAJISU-SSDOTTSWSA-N 2 0 186.259 -1.052 20 0 AAADRP O=C(N[C@@H]1CC[NH2+]C1)N1CC[NH2+]CC1 627252241 347305663 /nfs/dbraw/zinc/30/56/63/347305663.db2.gz ONIVENJCVJBHPS-MRVPVSSYSA-N 2 0 198.270 -1.037 20 0 AAADRP CCN(CC[NH3+])C(=O)C1(O)C[NH2+]C1 638515871 347484363 /nfs/dbraw/zinc/48/43/63/347484363.db2.gz HNQKCIDHXWQPSQ-UHFFFAOYSA-N 2 0 187.243 -1.872 20 0 AAADRP CCN(CC[NH3+])C(=O)[C@@H]([NH3+])COC 638517457 347484381 /nfs/dbraw/zinc/48/43/81/347484381.db2.gz VDTRKDKEOWHQRP-ZETCQYMHSA-N 2 0 189.259 -1.233 20 0 AAADRP CCN(CC[NH3+])C(=O)COCC[NH3+] 638523016 347485055 /nfs/dbraw/zinc/48/50/55/347485055.db2.gz ZDZGTDPGWNDBOX-UHFFFAOYSA-N 2 0 189.259 -1.231 20 0 AAADRP C[C@@H]([NH3+])C(=O)N(C)CCOCC[NH3+] 638680461 347487660 /nfs/dbraw/zinc/48/76/60/347487660.db2.gz SADGOCPZBGXNDL-SSDOTTSWSA-N 2 0 189.259 -1.233 20 0 AAADRP CN(CCOCC[NH3+])C(=O)CC[NH3+] 638680123 347487688 /nfs/dbraw/zinc/48/76/88/347487688.db2.gz LYMFCJNAKPJRRF-UHFFFAOYSA-N 2 0 189.259 -1.231 20 0 AAADRP C[NH2+]CC(=O)N(C)CCOCC[NH3+] 638679918 347487702 /nfs/dbraw/zinc/48/77/02/347487702.db2.gz GMHYLHCMITZSGX-UHFFFAOYSA-N 2 0 189.259 -1.361 20 0 AAADRP C[C@H]([NH3+])C(=O)N(C)CCOCC[NH3+] 638680462 347487720 /nfs/dbraw/zinc/48/77/20/347487720.db2.gz SADGOCPZBGXNDL-ZETCQYMHSA-N 2 0 189.259 -1.233 20 0 AAADRP O=C(N[C@@H]1CC[NH2+]C1)C1(O)C[NH2+]C1 638792555 347492306 /nfs/dbraw/zinc/49/23/06/347492306.db2.gz LFPBGLLURIDRKT-ZCFIWIBFSA-N 2 0 185.227 -2.201 20 0 AAADRP C[NH2+]CC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 638909035 347495340 /nfs/dbraw/zinc/49/53/40/347495340.db2.gz BWFDPPBOLFBDQJ-BQBZGAKWSA-N 2 0 169.228 -1.222 20 0 AAADRP C[C@H]([NH3+])C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 638909378 347495594 /nfs/dbraw/zinc/49/55/94/347495594.db2.gz GMUQCGDNSLKDMS-ACZMJKKPSA-N 2 0 169.228 -1.094 20 0 AAADRP [NH3+]CCOCC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 638911029 347495940 /nfs/dbraw/zinc/49/59/40/347495940.db2.gz YFRCWXXMGZCSLJ-YUMQZZPRSA-N 2 0 199.254 -1.466 20 0 AAADRP [NH3+]CCC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 638911140 347495984 /nfs/dbraw/zinc/49/59/84/347495984.db2.gz ZQUSMTFUHFXCFB-BQBZGAKWSA-N 2 0 169.228 -1.092 20 0 AAADRP C[C@@H]([NH3+])C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 638909379 347496059 /nfs/dbraw/zinc/49/60/59/347496059.db2.gz GMUQCGDNSLKDMS-VQVTYTSYSA-N 2 0 169.228 -1.094 20 0 AAADRP O=C(N1C[C@@H]2C[C@H]1C[NH2+]2)C1(O)C[NH2+]C1 638916704 347496443 /nfs/dbraw/zinc/49/64/43/347496443.db2.gz BMBSUYVDXZTJCT-BQBZGAKWSA-N 2 0 197.238 -2.107 20 0 AAADRP [NH3+]CC(=O)N1C[C@@H]2CC[C@H](C1)[NH2+]2 638917879 347496450 /nfs/dbraw/zinc/49/64/50/347496450.db2.gz JUIOYEYINXBBPI-KNVOCYPGSA-N 2 0 169.228 -1.092 20 0 AAADRP COC[C@H]([NH3+])C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 638916094 347496536 /nfs/dbraw/zinc/49/65/36/347496536.db2.gz XVCUJHNFVQYIGD-FXQIFTODSA-N 2 0 199.254 -1.467 20 0 AAADRP C[NH+](C)CC(=O)N[C@H]1[C@@H]2C[NH2+]C[C@@H]21 250339340 351831771 /nfs/dbraw/zinc/83/17/71/351831771.db2.gz BICXQEVAUFPUQP-QMSLJYSESA-N 2 0 183.255 -1.118 20 0 AAADRP [NH3+]CCNC(=O)N[C@@H]1CC[NH2+]C1 258472651 351863265 /nfs/dbraw/zinc/86/32/65/351863265.db2.gz KXYOIURCOQSEES-ZCFIWIBFSA-N 2 0 172.232 -1.394 20 0 AAADRP O[C@H]1CC[NH2+]C[C@@H]1N1CC[NH2+]CC1 259821470 351880163 /nfs/dbraw/zinc/88/01/63/351880163.db2.gz UAWXXABNJFEMGP-IUCAKERBSA-N 2 0 185.271 -1.386 20 0 AAADRP [NH3+]C1CC([NH2+][C@@H]2COC[C@@H]2O)C1 306156426 351901038 /nfs/dbraw/zinc/90/10/38/351901038.db2.gz BPQBEVSUXQNVKZ-CRYROECRSA-N 2 0 172.228 -1.175 20 0 AAADRP C[C@@H]([NH3+])C(=O)N[C@H]1[C@@H]2C[NH2+]C[C@@H]21 306278694 351915129 /nfs/dbraw/zinc/91/51/29/351915129.db2.gz GXUHBUJGSGDAAL-JWXFUTCRSA-N 2 0 169.228 -1.332 20 0 AAADRP C[C@H]([NH3+])C(=O)N[C@H]1[C@@H]2C[NH2+]C[C@@H]21 306278696 351915204 /nfs/dbraw/zinc/91/52/04/351915204.db2.gz GXUHBUJGSGDAAL-VWDOSNQTSA-N 2 0 169.228 -1.332 20 0 AAADRP O=C(N[C@@H]1CC[NH2+]C1)[C@@H]1[C@H]2C[NH2+]C[C@H]21 306518511 351941461 /nfs/dbraw/zinc/94/14/61/351941461.db2.gz IEBLRSLSVOSCDO-HXFLIBJXSA-N 2 0 195.266 -1.070 20 0 AAADRP CS(=O)(=O)CC[C@H](N)C[NH3+] 536955415 352192527 /nfs/dbraw/zinc/19/25/27/352192527.db2.gz XTZGNDBHQOADQG-YFKPBYRVSA-N 2 0 166.246 -1.293 20 0 AAADRP [NH3+]CCNC(=O)[C@H]1C[C@H]([NH3+])C1 575485964 352333640 /nfs/dbraw/zinc/33/36/40/352333640.db2.gz DUKHXYNETAFWHQ-IZLXSQMJSA-N 2 0 157.217 -1.201 20 0 AAADRP [NH3+]CCNC(=O)[C@H]1C[C@@H]([NH3+])C1 575504110 352425572 /nfs/dbraw/zinc/42/55/72/352425572.db2.gz DUKHXYNETAFWHQ-OLQVQODUSA-N 2 0 157.217 -1.201 20 0 AAADRP CC1(C(=O)NCC2C[NH2+]C2)C[NH2+]C1 644105054 371875245 /nfs/dbraw/zinc/87/52/45/371875245.db2.gz VWTZOYDNVIOWJF-UHFFFAOYSA-N 2 0 183.255 -1.069 20 0 AAADRP [NH3+]C1(C(=O)N2CC[NH2+]CC2)CC1 83834217 375383334 /nfs/dbraw/zinc/38/33/34/375383334.db2.gz GPIPMAXPEWEFDO-UHFFFAOYSA-N 2 0 169.228 -1.091 20 0 AAADRP C[NH2+]CCNC(=O)CC[NH2+]C 201265677 375407044 /nfs/dbraw/zinc/40/70/44/375407044.db2.gz ZPTJPGJULVHYSB-UHFFFAOYSA-N 2 0 159.233 -1.069 20 0 AAADRP CC(C)([NH3+])CNC(=O)C[NH3+] 306512787 375451978 /nfs/dbraw/zinc/45/19/78/375451978.db2.gz QPBODEOINGFVGT-UHFFFAOYSA-N 2 0 145.206 -1.201 20 0 AAADRP C[NH2+]CCNC(=O)C1(C)C[NH2+]C1 646679194 375600407 /nfs/dbraw/zinc/60/04/07/375600407.db2.gz ANKLTYGIIXUYJB-UHFFFAOYSA-N 2 0 171.244 -1.069 20 0 AAADRP CC[C@@H]([NH3+])CNC(=O)COCC[NH3+] 647068997 375615162 /nfs/dbraw/zinc/61/51/62/375615162.db2.gz IPMIKFTYEYQHLO-SSDOTTSWSA-N 2 0 189.259 -1.185 20 0 AAADRP CC[C@H]([NH3+])CNC(=O)COCC[NH3+] 647068998 375615174 /nfs/dbraw/zinc/61/51/74/375615174.db2.gz IPMIKFTYEYQHLO-ZETCQYMHSA-N 2 0 189.259 -1.185 20 0 AAADRP CC[C@@H]([NH3+])CNC(=O)[C@@H]([NH3+])COC 647069064 375615896 /nfs/dbraw/zinc/61/58/96/375615896.db2.gz UCKGWQBWVZKFOI-RQJHMYQMSA-N 2 0 189.259 -1.186 20 0 AAADRP CC[C@H]([NH3+])CNC(=O)[C@@H]([NH3+])COC 647069061 375615904 /nfs/dbraw/zinc/61/59/04/375615904.db2.gz UCKGWQBWVZKFOI-BQBZGAKWSA-N 2 0 189.259 -1.186 20 0 AAADRP CN(CC[NH3+])C(=O)[C@@H]1C[NH2+]CCO1 647088687 375621367 /nfs/dbraw/zinc/62/13/67/375621367.db2.gz TWLFTACILHNNLO-ZETCQYMHSA-N 2 0 187.243 -1.608 20 0 AAADRP C[C@@H](C[NH3+])C(=O)N(C)CC[NH3+] 647088771 375621383 /nfs/dbraw/zinc/62/13/83/375621383.db2.gz RHVZMASSZGEFOJ-LURJTMIESA-N 2 0 159.233 -1.002 20 0 AAADRP CN(CC[NH3+])C(=O)[C@H]1CC[NH2+]1 647088660 375621501 /nfs/dbraw/zinc/62/15/01/375621501.db2.gz OKJQKHYAWVUBSE-ZCFIWIBFSA-N 2 0 157.217 -1.235 20 0 AAADRP C[NH2+]CC(=O)N(C)CC[NH3+] 647088684 375621580 /nfs/dbraw/zinc/62/15/80/375621580.db2.gz SSBFVBVFHCBBLT-UHFFFAOYSA-N 2 0 145.206 -1.377 20 0 AAADRP CN(CC[NH3+])C(=O)[C@H]1C[NH2+]CCO1 647088686 375621588 /nfs/dbraw/zinc/62/15/88/375621588.db2.gz TWLFTACILHNNLO-SSDOTTSWSA-N 2 0 187.243 -1.608 20 0 AAADRP COCC[NH2+]CC(=O)N(C)CC[NH3+] 647088712 375621664 /nfs/dbraw/zinc/62/16/64/375621664.db2.gz YLMQYKULQOETJZ-UHFFFAOYSA-N 2 0 189.259 -1.361 20 0 AAADRP C[C@H]([NH3+])C(=O)N(C)CC[NH3+] 647088666 375621739 /nfs/dbraw/zinc/62/17/39/375621739.db2.gz PUWMFWAQCOUMMJ-YFKPBYRVSA-N 2 0 145.206 -1.249 20 0 AAADRP C[C@H](C[NH3+])C(=O)N(C)CC[NH3+] 647088772 375621751 /nfs/dbraw/zinc/62/17/51/375621751.db2.gz RHVZMASSZGEFOJ-ZCFIWIBFSA-N 2 0 159.233 -1.002 20 0 AAADRP C[C@@H]([NH3+])C(=O)N(C)CC[NH3+] 647088665 375621878 /nfs/dbraw/zinc/62/18/78/375621878.db2.gz PUWMFWAQCOUMMJ-RXMQYKEDSA-N 2 0 145.206 -1.249 20 0 AAADRP [NH3+]CCCN1CCO[C@H](C[NH3+])C1 647518985 375649348 /nfs/dbraw/zinc/64/93/48/375649348.db2.gz SHAWOXYYFKNAKE-MRVPVSSYSA-N 2 0 173.260 -1.005 20 0 AAADRP [NH3+]CCCN1CCO[C@@H](C[NH3+])C1 647518986 375649668 /nfs/dbraw/zinc/64/96/68/375649668.db2.gz SHAWOXYYFKNAKE-QMMMGPOBSA-N 2 0 173.260 -1.005 20 0 AAADRP CN(C[C@@H](O)C[NH3+])CC(C)(C)[NH3+] 647548175 375660826 /nfs/dbraw/zinc/66/08/26/375660826.db2.gz XUTJPQASLIRARO-ZETCQYMHSA-N 2 0 175.276 -1.025 20 0 AAADRP CN(C[C@H](O)C[NH3+])CC(C)(C)[NH3+] 647548174 375661400 /nfs/dbraw/zinc/66/14/00/375661400.db2.gz XUTJPQASLIRARO-SSDOTTSWSA-N 2 0 175.276 -1.025 20 0 AAADRP C[NH2+]CCCN(C)C[C@@H](O)C[NH3+] 647987584 375682371 /nfs/dbraw/zinc/68/23/71/375682371.db2.gz GNHGRRLNENNACN-QMMMGPOBSA-N 2 0 175.276 -1.153 20 0 AAADRP C[NH2+]CCCN(C)C[C@H](O)C[NH3+] 647987583 375682387 /nfs/dbraw/zinc/68/23/87/375682387.db2.gz GNHGRRLNENNACN-MRVPVSSYSA-N 2 0 175.276 -1.153 20 0 AAADRP CN(CC[NH3+])CCOCC[NH3+] 647992519 375685088 /nfs/dbraw/zinc/68/50/88/375685088.db2.gz ITFIFFWLVLYILD-UHFFFAOYSA-N 2 0 161.249 -1.148 20 0 AAADRP CN(CC[NH3+])C(=O)[C@@H]1[C@H]2C[NH2+]C[C@H]21 648177517 375700770 /nfs/dbraw/zinc/70/07/70/375700770.db2.gz FQDDVEFVUMMWKL-JIGDXULJSA-N 2 0 183.255 -1.131 20 0 AAADRP C[C@H]([NH3+])C(=O)N1CC[NH2+]CC1 35728235 409316831 /nfs/dbraw/zinc/31/68/31/409316831.db2.gz QHEOODFMEZZILH-LURJTMIESA-N 2 0 157.217 -1.235 20 0 AAADRP C[NH2+]C[C@@](C)(O)CN1CC[NH2+]CC1 652335537 409351941 /nfs/dbraw/zinc/35/19/41/409351941.db2.gz OYEBXQMKUJYTPK-SECBINFHSA-N 2 0 187.287 -1.138 20 0 AAADRP C[NH2+]C[C@](C)(O)CN1CC[NH2+]CC1 652335538 409352030 /nfs/dbraw/zinc/35/20/30/409352030.db2.gz OYEBXQMKUJYTPK-VIFPVBQESA-N 2 0 187.287 -1.138 20 0 AAADRP C[NH2+]C[C@](C)(O)CN(C)CC[NH3+] 652341444 409352443 /nfs/dbraw/zinc/35/24/43/409352443.db2.gz PKDAVSUHYKZRRJ-QMMMGPOBSA-N 2 0 175.276 -1.153 20 0 AAADRP C[NH2+]C[C@](C)(O)CN1CC[C@H]([NH3+])C1 652335594 409352688 /nfs/dbraw/zinc/35/26/88/409352688.db2.gz TZEKJHMKCWDOLH-IUCAKERBSA-N 2 0 187.287 -1.010 20 0 AAADRP C[NH2+]C[C@](C)(O)CN1CC[C@@H]([NH3+])C1 652335592 409352907 /nfs/dbraw/zinc/35/29/07/409352907.db2.gz TZEKJHMKCWDOLH-BDAKNGLRSA-N 2 0 187.287 -1.010 20 0 AAADRP C[NH2+]C[C@@](C)(O)CN(C)CC[NH3+] 652341443 409353128 /nfs/dbraw/zinc/35/31/28/409353128.db2.gz PKDAVSUHYKZRRJ-MRVPVSSYSA-N 2 0 175.276 -1.153 20 0 AAADRP C[NH2+]C[C@@](C)(O)CN1CC[C@@H]([NH3+])C1 652335595 409353719 /nfs/dbraw/zinc/35/37/19/409353719.db2.gz TZEKJHMKCWDOLH-RKDXNWHRSA-N 2 0 187.287 -1.010 20 0 AAADRP [NH3+]CCOCCN1CC[NH2+]CC1 58006635 409394331 /nfs/dbraw/zinc/39/43/31/409394331.db2.gz ACQXWWZKCJBDRH-UHFFFAOYSA-N 2 0 173.260 -1.133 20 0 AAADRP COCC[N@H+](C)CCNC(=O)C[NH3+] 61380490 409397828 /nfs/dbraw/zinc/39/78/28/409397828.db2.gz XCFSVSURRJSTBX-UHFFFAOYSA-N 2 0 189.259 -1.361 20 0 AAADRP C[NH2+]CCNC(=O)[C@H](C)[NH2+]C 655416016 409408958 /nfs/dbraw/zinc/40/89/58/409408958.db2.gz JZEJCQWNHHYEEP-LURJTMIESA-N 2 0 159.233 -1.070 20 0 AAADRP C[NH2+][C@@H](C)C(=O)N[C@H]1[C@@H]2C[NH2+]C[C@@H]21 655463263 409410831 /nfs/dbraw/zinc/41/08/31/409410831.db2.gz IORVRHBPFRGLCA-RULNZFCNSA-N 2 0 183.255 -1.072 20 0 AAADRP C[NH2+][C@H](C)C(=O)N[C@H]1[C@@H]2C[NH2+]C[C@@H]21 655463262 409410924 /nfs/dbraw/zinc/41/09/24/409410924.db2.gz IORVRHBPFRGLCA-NGJRWZKOSA-N 2 0 183.255 -1.072 20 0 AAADRP C[NH2+]CCNC(=O)N[C@H]1CC[NH2+]C1 659514224 409532288 /nfs/dbraw/zinc/53/22/88/409532288.db2.gz FTGLCFZGERIUFS-ZETCQYMHSA-N 2 0 186.259 -1.133 20 0 AAADRP C[NH2+]C[C@H](C)NC(=O)NCC[NH3+] 659507353 409532459 /nfs/dbraw/zinc/53/24/59/409532459.db2.gz ITLMGUUSCZKBBD-LURJTMIESA-N 2 0 174.248 -1.148 20 0 AAADRP C[NH2+]C[C@@H](C)NC(=O)NCC[NH3+] 659507354 409534097 /nfs/dbraw/zinc/53/40/97/409534097.db2.gz ITLMGUUSCZKBBD-ZCFIWIBFSA-N 2 0 174.248 -1.148 20 0 AAADRP C[C@H](C[NH3+])NC(=O)N[C@H]1CC[NH2+]C1 659529530 409535851 /nfs/dbraw/zinc/53/58/51/409535851.db2.gz CDANSVFGBGATQG-RQJHMYQMSA-N 2 0 186.259 -1.005 20 0 AAADRP O=C(N[C@H]1CC[NH2+]C1)N1CC[NH2+]CC1 659564178 409536176 /nfs/dbraw/zinc/53/61/76/409536176.db2.gz ONIVENJCVJBHPS-QMMMGPOBSA-N 2 0 198.270 -1.037 20 0 AAADRP C[C@H]([NH3+])CNC(=O)N[C@H]1CC[NH2+]C1 659537356 409536211 /nfs/dbraw/zinc/53/62/11/409536211.db2.gz LLHBQXHDJXZCJO-BQBZGAKWSA-N 2 0 186.259 -1.005 20 0 AAADRP CN(CC[NH3+])C(=O)N[C@H]1CC[NH2+]C1 659564036 409536804 /nfs/dbraw/zinc/53/68/04/409536804.db2.gz CHECLRPFTAJISU-ZETCQYMHSA-N 2 0 186.259 -1.052 20 0 AAADRP C[C@@H]([NH3+])CNC(=O)N[C@H]1CC[NH2+]C1 659537481 409537031 /nfs/dbraw/zinc/53/70/31/409537031.db2.gz LLHBQXHDJXZCJO-RQJHMYQMSA-N 2 0 186.259 -1.005 20 0 AAADRP CN1CCN(C(=O)C[NH3+])[C@H](C[NH3+])C1 306299721 409554042 /nfs/dbraw/zinc/55/40/42/409554042.db2.gz YKGJGYVLPVEKQD-SSDOTTSWSA-N 2 0 186.259 -1.954 20 0 AAADRP CN1CCN(C(=O)C[NH3+])[C@@H](C[NH3+])C1 306299726 409556945 /nfs/dbraw/zinc/55/69/45/409556945.db2.gz YKGJGYVLPVEKQD-ZETCQYMHSA-N 2 0 186.259 -1.954 20 0 AAADRP O=C(N[C@H]1[C@@H]2C[NH2+]C[C@@H]21)[C@@H]1CC[NH2+]C1 306352528 409560562 /nfs/dbraw/zinc/56/05/62/409560562.db2.gz AKAKCJIGCHUSKE-HXFLIBJXSA-N 2 0 195.266 -1.070 20 0 AAADRP O=C(N[C@H]1[C@@H]2C[NH2+]C[C@@H]21)[C@H]1CC[NH2+]C1 306352531 409561172 /nfs/dbraw/zinc/56/11/72/409561172.db2.gz AKAKCJIGCHUSKE-RBXMUDONSA-N 2 0 195.266 -1.070 20 0 AAADRP C[C@@H](C[NH3+])C(=O)N[C@H]1[C@@H]2C[NH2+]C[C@@H]21 306385522 409564676 /nfs/dbraw/zinc/56/46/76/409564676.db2.gz BLCJGEAGUOLREN-RULNZFCNSA-N 2 0 183.255 -1.085 20 0 AAADRP C[C@H](C[NH3+])C(=O)N[C@H]1[C@@H]2C[NH2+]C[C@@H]21 306385520 409566510 /nfs/dbraw/zinc/56/65/10/409566510.db2.gz BLCJGEAGUOLREN-NGJRWZKOSA-N 2 0 183.255 -1.085 20 0 AAADRP O=C([C@@H]1[C@H]2C[NH2+]C[C@H]21)N1CC[NH2+]CC1 306424812 409567357 /nfs/dbraw/zinc/56/73/57/409567357.db2.gz GLTMCOZRJWGBNR-BRPSZJMVSA-N 2 0 195.266 -1.116 20 0 AAADRP [NH3+]CCC(=O)N[C@H]1[C@@H]2C[NH2+]C[C@@H]21 306427170 409567470 /nfs/dbraw/zinc/56/74/70/409567470.db2.gz KTSCEMULYHBUJC-BDINMYNLSA-N 2 0 169.228 -1.331 20 0 AAADRP C[C@@H]([NH3+])CNC(=O)[C@@H]1[C@H]2C[NH2+]C[C@H]21 306703085 409582665 /nfs/dbraw/zinc/58/26/65/409582665.db2.gz AWNGGPFRHWLGNN-NGJRWZKOSA-N 2 0 183.255 -1.085 20 0 AAADRP C[C@H]([NH3+])CNC(=O)[C@@H]1[C@H]2C[NH2+]C[C@H]21 306703086 409582677 /nfs/dbraw/zinc/58/26/77/409582677.db2.gz AWNGGPFRHWLGNN-RULNZFCNSA-N 2 0 183.255 -1.085 20 0 AAADRP C[C@@H]([NH3+])[C@H]1CN(CC[NH3+])CCO1 306757669 409585474 /nfs/dbraw/zinc/58/54/74/409585474.db2.gz NQWVSSFDMHHKQT-HTQZYQBOSA-N 2 0 173.260 -1.007 20 0 AAADRP C[C@@H]([NH3+])[C@@H]1CN(CC[NH3+])CCO1 306757671 409585581 /nfs/dbraw/zinc/58/55/81/409585581.db2.gz NQWVSSFDMHHKQT-SFYZADRCSA-N 2 0 173.260 -1.007 20 0 AAADRP C[C@H]([NH3+])[C@H]1CN(CC[NH3+])CCO1 306757670 409587075 /nfs/dbraw/zinc/58/70/75/409587075.db2.gz NQWVSSFDMHHKQT-JGVFFNPUSA-N 2 0 173.260 -1.007 20 0 AAADRP C[C@H]([NH3+])[C@@H]1CN(CC[NH3+])CCO1 306757672 409587332 /nfs/dbraw/zinc/58/73/32/409587332.db2.gz NQWVSSFDMHHKQT-YUMQZZPRSA-N 2 0 173.260 -1.007 20 0 AAADRP [NH3+]CCNC(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 307282534 409633663 /nfs/dbraw/zinc/63/36/63/409633663.db2.gz LDQAHPFKXQKTHG-QYNIQEEDSA-N 2 0 169.228 -1.188 20 0 AAADRP [NH3+]CC(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 307325343 409635258 /nfs/dbraw/zinc/63/52/58/409635258.db2.gz LOWVIQRHYVTZGU-WDSKDSINSA-N 2 0 175.207 -1.239 20 0 AAADRP [NH3+]CCNC(=O)[C@@H]1[C@H]2C[NH2+]C[C@H]21 307418976 409645581 /nfs/dbraw/zinc/64/55/81/409645581.db2.gz GSSQCJFKWIOZIQ-ZMONIFLSSA-N 2 0 169.228 -1.473 20 0 AAADRP C[NH2+]CC(=O)NC[C@@H](C)C[NH3+] 308085960 409684624 /nfs/dbraw/zinc/68/46/24/409684624.db2.gz NYDRSQFLNNNBCC-LURJTMIESA-N 2 0 159.233 -1.083 20 0 AAADRP C[NH2+]CC(=O)NC[C@H](C)C[NH3+] 308085963 409685048 /nfs/dbraw/zinc/68/50/48/409685048.db2.gz NYDRSQFLNNNBCC-ZCFIWIBFSA-N 2 0 159.233 -1.083 20 0 AAADRP CC[NH2+]CCNC(=O)C[NH2+]C 308157925 409688067 /nfs/dbraw/zinc/68/80/67/409688067.db2.gz PXAZXBWUMWIGGL-UHFFFAOYSA-N 2 0 159.233 -1.069 20 0 AAADRP C[C@@H]([NH3+])CN(CC[NH3+])C[C@@H](O)CO 662289336 409710360 /nfs/dbraw/zinc/71/03/60/409710360.db2.gz ZULGSWMROBSQPY-HTQZYQBOSA-N 2 0 191.275 -2.053 20 0 AAADRP C[C@H]([NH3+])CN(CC[NH3+])C[C@H](O)CO 662289341 409712221 /nfs/dbraw/zinc/71/22/21/409712221.db2.gz ZULGSWMROBSQPY-YUMQZZPRSA-N 2 0 191.275 -2.053 20 0 AAADRP C[C@H]([NH3+])CN(CC[NH3+])C[C@@H](O)CO 662289338 409712282 /nfs/dbraw/zinc/71/22/82/409712282.db2.gz ZULGSWMROBSQPY-JGVFFNPUSA-N 2 0 191.275 -2.053 20 0 AAADRP C[C@@H]([NH3+])CN(CC[NH3+])C[C@H](O)CO 662289339 409712926 /nfs/dbraw/zinc/71/29/26/409712926.db2.gz ZULGSWMROBSQPY-SFYZADRCSA-N 2 0 191.275 -2.053 20 0 AAADRP [NH3+]CCOCCN1CC[C@@H]([NH3+])C1 308356623 409715922 /nfs/dbraw/zinc/71/59/22/409715922.db2.gz BKWHMZRWJCYNPQ-MRVPVSSYSA-N 3 0 173.260 -1.005 20 0 AAADRP [NH3+]CCOCCN1CC[C@H]([NH3+])C1 308356642 409716061 /nfs/dbraw/zinc/71/60/61/409716061.db2.gz BKWHMZRWJCYNPQ-QMMMGPOBSA-N 3 0 173.260 -1.005 20 0 AAADRP [NH3+][C@@H]1CCCN(C(=O)C2(O)C[NH2+]C2)C1 662388343 409726643 /nfs/dbraw/zinc/72/66/43/409726643.db2.gz PAABKXUVGOVRSU-SSDOTTSWSA-N 2 0 199.254 -1.730 20 0 AAADRP [NH3+][C@H]1CCCN(C(=O)C2(O)C[NH2+]C2)C1 662388345 409726733 /nfs/dbraw/zinc/72/67/33/409726733.db2.gz PAABKXUVGOVRSU-ZETCQYMHSA-N 2 0 199.254 -1.730 20 0 AAADRP C[NH2+][C@H]1CCN(C(=O)C2(O)C[NH2+]C2)C1 662396067 409730598 /nfs/dbraw/zinc/73/05/98/409730598.db2.gz OVMUEHKMWGLCOM-ZETCQYMHSA-N 2 0 199.254 -1.859 20 0 AAADRP O=C(N[C@H]1CCC[NH2+]C1)C1(O)C[NH2+]C1 662396196 409730763 /nfs/dbraw/zinc/73/07/63/409730763.db2.gz ULJJSXCGHLCCQZ-ZETCQYMHSA-N 2 0 199.254 -1.811 20 0 AAADRP C[NH2+]CCNC(=O)C1(O)C[NH2+]C1 662407566 409731023 /nfs/dbraw/zinc/73/10/23/409731023.db2.gz BOPYUYDRWPEHLZ-UHFFFAOYSA-N 2 0 173.216 -2.344 20 0 AAADRP O=C(N[C@@H]1CCC[NH2+]C1)C1(O)C[NH2+]C1 662396194 409731123 /nfs/dbraw/zinc/73/11/23/409731123.db2.gz ULJJSXCGHLCCQZ-SSDOTTSWSA-N 2 0 199.254 -1.811 20 0 AAADRP C[NH2+]CCCNC(=O)C1(O)C[NH2+]C1 662397340 409731568 /nfs/dbraw/zinc/73/15/68/409731568.db2.gz ADSANDZIHAMCCM-UHFFFAOYSA-N 2 0 187.243 -1.954 20 0 AAADRP O=C(N[C@H]1CC[NH2+]C1)C1(O)C[NH2+]C1 662401038 409731668 /nfs/dbraw/zinc/73/16/68/409731668.db2.gz LFPBGLLURIDRKT-LURJTMIESA-N 2 0 185.227 -2.201 20 0 AAADRP O=C(N1CCC[NH2+]CC1)C1(O)C[NH2+]C1 662396666 409731742 /nfs/dbraw/zinc/73/17/42/409731742.db2.gz ZZQRGJJZDSHZQZ-UHFFFAOYSA-N 2 0 199.254 -1.857 20 0 AAADRP O=C(N1CC[NH2+]CC1)C1(O)C[NH2+]C1 662392093 409731835 /nfs/dbraw/zinc/73/18/35/409731835.db2.gz CVWAQFILBJXFLH-UHFFFAOYSA-N 2 0 185.227 -2.248 20 0 AAADRP C[NH2+][C@@H]1CCN(C(=O)C2(O)C[NH2+]C2)C1 662396065 409731930 /nfs/dbraw/zinc/73/19/30/409731930.db2.gz OVMUEHKMWGLCOM-SSDOTTSWSA-N 2 0 199.254 -1.859 20 0 AAADRP [NH3+][C@@H]1CCN(C(=O)C2(O)C[NH2+]C2)C1 662394025 409732009 /nfs/dbraw/zinc/73/20/09/409732009.db2.gz MNAQJGISCKHBNV-ZCFIWIBFSA-N 2 0 185.227 -2.120 20 0 AAADRP [NH3+][C@H]1CCN(C(=O)C2(O)C[NH2+]C2)C1 662404242 409732238 /nfs/dbraw/zinc/73/22/38/409732238.db2.gz MNAQJGISCKHBNV-LURJTMIESA-N 2 0 185.227 -2.120 20 0 AAADRP O=C(NC[C@H]1CCC[NH2+]1)C1(O)C[NH2+]C1 662410671 409733568 /nfs/dbraw/zinc/73/35/68/409733568.db2.gz CFAAPGWSSLGOMP-SSDOTTSWSA-N 2 0 199.254 -1.811 20 0 AAADRP CN(CCC[NH3+])C(=O)C1(O)C[NH2+]C1 662422553 409733582 /nfs/dbraw/zinc/73/35/82/409733582.db2.gz WIIAXXQYOORPOE-UHFFFAOYSA-N 2 0 187.243 -1.872 20 0 AAADRP CN(C(=O)C1(O)C[NH2+]C1)[C@@H]1CC[NH2+]C1 662415080 409733672 /nfs/dbraw/zinc/73/36/72/409733672.db2.gz MSPCESUKXIJOSQ-SSDOTTSWSA-N 2 0 199.254 -1.859 20 0 AAADRP O=C(NCC[NH2+]C1CC1)C1(O)C[NH2+]C1 662411492 409734204 /nfs/dbraw/zinc/73/42/04/409734204.db2.gz JDEUAQGMJRVEHD-UHFFFAOYSA-N 2 0 199.254 -1.811 20 0 AAADRP CC[NH2+]CCNC(=O)C1(O)C[NH2+]C1 662409036 409734505 /nfs/dbraw/zinc/73/45/05/409734505.db2.gz DSZYWYWXVVFVNL-UHFFFAOYSA-N 2 0 187.243 -1.954 20 0 AAADRP CN(C(=O)C1(O)C[NH2+]C1)[C@H]1CC[NH2+]C1 662415081 409734526 /nfs/dbraw/zinc/73/45/26/409734526.db2.gz MSPCESUKXIJOSQ-ZETCQYMHSA-N 2 0 199.254 -1.859 20 0 AAADRP O=C(NC[C@@H]1CCC[NH2+]1)C1(O)C[NH2+]C1 662410672 409734767 /nfs/dbraw/zinc/73/47/67/409734767.db2.gz CFAAPGWSSLGOMP-ZETCQYMHSA-N 2 0 199.254 -1.811 20 0 AAADRP CC(C)([NH3+])CNC(=O)C1(O)C[NH2+]C1 662424626 409735299 /nfs/dbraw/zinc/73/52/99/409735299.db2.gz WAJBVQHRMXAIDV-UHFFFAOYSA-N 2 0 187.243 -1.826 20 0 AAADRP COCC[NH2+]CC(=O)NC[C@@H](C)[NH3+] 308559216 409736124 /nfs/dbraw/zinc/73/61/24/409736124.db2.gz DCFZZYFAOHNWIS-SSDOTTSWSA-N 2 0 189.259 -1.314 20 0 AAADRP COCC[NH2+]CC(=O)NC[C@H](C)[NH3+] 308559217 409737018 /nfs/dbraw/zinc/73/70/18/409737018.db2.gz DCFZZYFAOHNWIS-ZETCQYMHSA-N 2 0 189.259 -1.314 20 0 AAADRP CC[NH2+]CCNC(=O)[C@@H]([NH3+])COC 308605038 409740079 /nfs/dbraw/zinc/74/00/79/409740079.db2.gz BNELTKZLDKWOAF-ZETCQYMHSA-N 2 0 189.259 -1.314 20 0 AAADRP CN(CC[NH3+])CCN1CC[NH2+]CC1 308598335 409740564 /nfs/dbraw/zinc/74/05/64/409740564.db2.gz ADRBUDCFSZDVOE-UHFFFAOYSA-N 2 0 186.303 -1.218 20 0 AAADRP COCC[NH2+]CCNC(=O)CC[NH3+] 308599077 409741323 /nfs/dbraw/zinc/74/13/23/409741323.db2.gz AGOOCVJMGRXAHX-UHFFFAOYSA-N 2 0 189.259 -1.313 20 0 AAADRP CN(CCC[NH3+])C(=O)COCC[NH3+] 308660533 409748497 /nfs/dbraw/zinc/74/84/97/409748497.db2.gz PRONRAGCNFYXRR-UHFFFAOYSA-N 2 0 189.259 -1.231 20 0 AAADRP C[NH2+]CCNC(=O)C[NH2+]CCOC 308716946 409749776 /nfs/dbraw/zinc/74/97/76/409749776.db2.gz BQLIUCFMJAWXON-UHFFFAOYSA-N 2 0 189.259 -1.442 20 0 AAADRP COC[C@H]([NH3+])C(=O)N(C)CCC[NH3+] 308684342 409751427 /nfs/dbraw/zinc/75/14/27/409751427.db2.gz YUDUWJJQFMFLCD-ZETCQYMHSA-N 2 0 189.259 -1.233 20 0 AAADRP CC[C@@H]([NH3+])CNC(=O)C1(O)C[NH2+]C1 662783120 409754528 /nfs/dbraw/zinc/75/45/28/409754528.db2.gz NZNYQGFRNXZFSV-ZCFIWIBFSA-N 2 0 187.243 -1.826 20 0 AAADRP C[C@@H](C[NH3+])CNC(=O)C1(O)C[NH2+]C1 662758037 409754615 /nfs/dbraw/zinc/75/46/15/409754615.db2.gz PQUHSBTZIPVHFL-LURJTMIESA-N 2 0 187.243 -1.968 20 0 AAADRP C[C@H](C[NH3+])NC(=O)C1(O)C[NH2+]C1 662765649 409754634 /nfs/dbraw/zinc/75/46/34/409754634.db2.gz CRDWOKBNBOFFDB-RXMQYKEDSA-N 2 0 173.216 -2.216 20 0 AAADRP C[NH+](C)CCNC(=O)C1(O)C[NH2+]C1 662780287 409754755 /nfs/dbraw/zinc/75/47/55/409754755.db2.gz PEBWADFCWUJDKV-UHFFFAOYSA-N 2 0 187.243 -2.002 20 0 AAADRP C[NH2+]CCC(=O)N[C@H]1[C@@H]2C[NH2+]C[C@@H]21 308762115 409754773 /nfs/dbraw/zinc/75/47/73/409754773.db2.gz YLRFENUUBZZCGE-QMSLJYSESA-N 2 0 183.255 -1.070 20 0 AAADRP C[C@H](C[NH3+])CNC(=O)C1(O)C[NH2+]C1 662758038 409754847 /nfs/dbraw/zinc/75/48/47/409754847.db2.gz PQUHSBTZIPVHFL-ZCFIWIBFSA-N 2 0 187.243 -1.968 20 0 AAADRP [NH3+]C1(CNC(=O)C2(O)C[NH2+]C2)CCC1 662764688 409755027 /nfs/dbraw/zinc/75/50/27/409755027.db2.gz MPOSQOYLYBMBGN-UHFFFAOYSA-N 2 0 199.254 -1.682 20 0 AAADRP C[C@H](CC[NH3+])NC(=O)C1(O)C[NH2+]C1 662765173 409755189 /nfs/dbraw/zinc/75/51/89/409755189.db2.gz WHRMNWCHZDPXHH-ZCFIWIBFSA-N 2 0 187.243 -1.826 20 0 AAADRP [NH3+][C@@H](CNC(=O)C1(O)C[NH2+]C1)C1CC1 662762966 409755439 /nfs/dbraw/zinc/75/54/39/409755439.db2.gz FRUGJIREMJUCNE-ZETCQYMHSA-N 2 0 199.254 -1.826 20 0 AAADRP [NH3+][C@H](CNC(=O)C1(O)C[NH2+]C1)C1CC1 662762965 409755290 /nfs/dbraw/zinc/75/52/90/409755290.db2.gz FRUGJIREMJUCNE-SSDOTTSWSA-N 2 0 199.254 -1.826 20 0 AAADRP CC[C@H]([NH3+])CNC(=O)C1(O)C[NH2+]C1 662783115 409755341 /nfs/dbraw/zinc/75/53/41/409755341.db2.gz NZNYQGFRNXZFSV-LURJTMIESA-N 2 0 187.243 -1.826 20 0 AAADRP C[C@H]([NH3+])CNC(=O)C1(O)C[NH2+]C1 662774152 409755468 /nfs/dbraw/zinc/75/54/68/409755468.db2.gz MWAORWNQUKYCQW-YFKPBYRVSA-N 2 0 173.216 -2.216 20 0 AAADRP C[C@@H](CC[NH3+])NC(=O)C1(O)C[NH2+]C1 662765171 409755953 /nfs/dbraw/zinc/75/59/53/409755953.db2.gz WHRMNWCHZDPXHH-LURJTMIESA-N 2 0 187.243 -1.826 20 0 AAADRP O=C(N[C@H]1[C@@H]2C[NH2+]C[C@@H]21)C1(O)C[NH2+]C1 662781114 409755970 /nfs/dbraw/zinc/75/59/70/409755970.db2.gz UXXOJAMPULUSBU-ZMONIFLSSA-N 2 0 197.238 -2.345 20 0 AAADRP C[C@@H]([NH3+])CNC(=O)C1(O)C[NH2+]C1 662774150 409756111 /nfs/dbraw/zinc/75/61/11/409756111.db2.gz MWAORWNQUKYCQW-RXMQYKEDSA-N 2 0 173.216 -2.216 20 0 AAADRP CN(CC[NH3+])C(=O)C1(O)C[NH2+]C1 662813041 409757793 /nfs/dbraw/zinc/75/77/93/409757793.db2.gz HFUMUOCRHDFUOD-UHFFFAOYSA-N 2 0 173.216 -2.262 20 0 AAADRP C[C@@H]1CN(C(=O)C2(O)C[NH2+]C2)C[C@H]1[NH3+] 662815844 409758465 /nfs/dbraw/zinc/75/84/65/409758465.db2.gz XQXWSCFTAFRABR-RNFRBKRXSA-N 2 0 199.254 -1.874 20 0 AAADRP C[NH2+]CC(=O)N[C@@H](C)C[NH2+]C 662954724 409763075 /nfs/dbraw/zinc/76/30/75/409763075.db2.gz YKINYHAHTNYVOF-LURJTMIESA-N 2 0 159.233 -1.070 20 0 AAADRP C[NH2+]CC(=O)N[C@H](C)C[NH2+]C 662954725 409764966 /nfs/dbraw/zinc/76/49/66/409764966.db2.gz YKINYHAHTNYVOF-ZCFIWIBFSA-N 2 0 159.233 -1.070 20 0 AAADRP C[NH2+]C[C@@H](C)NC(=O)C1(O)C[NH2+]C1 662969617 409766529 /nfs/dbraw/zinc/76/65/29/409766529.db2.gz OPPJZWFJKHBIIV-ZCFIWIBFSA-N 2 0 187.243 -1.955 20 0 AAADRP C[NH2+]C[C@H](C)NC(=O)C1(O)C[NH2+]C1 662969614 409767148 /nfs/dbraw/zinc/76/71/48/409767148.db2.gz OPPJZWFJKHBIIV-LURJTMIESA-N 2 0 187.243 -1.955 20 0 AAADRP C[NH2+]CCNC(=O)[C@@H](C)C[NH3+] 379331131 409825810 /nfs/dbraw/zinc/82/58/10/409825810.db2.gz ZZIVTVZIOSQYKH-LURJTMIESA-N 2 0 159.233 -1.083 20 0 AAADRP [NH3+]CC(=O)NCC[NH2+]C1CC1 379327560 409826368 /nfs/dbraw/zinc/82/63/68/409826368.db2.gz LCYHEPLARCHTCS-UHFFFAOYSA-N 2 0 157.217 -1.187 20 0 AAADRP C[NH2+]CCNC(=O)[C@H](C)C[NH3+] 379331132 409827037 /nfs/dbraw/zinc/82/70/37/409827037.db2.gz ZZIVTVZIOSQYKH-ZCFIWIBFSA-N 2 0 159.233 -1.083 20 0 AAADRP C[C@H](C[NH3+])N(C)C(=O)COCC[NH3+] 379578535 409851823 /nfs/dbraw/zinc/85/18/23/409851823.db2.gz UFHGFJVCYAOPIR-SSDOTTSWSA-N 2 0 189.259 -1.233 20 0 AAADRP C[C@@H](C[NH3+])N(C)C(=O)COCC[NH3+] 379578538 409852204 /nfs/dbraw/zinc/85/22/04/409852204.db2.gz UFHGFJVCYAOPIR-ZETCQYMHSA-N 2 0 189.259 -1.233 20 0 AAADRP CC[NH2+]CCNC(=O)COCC[NH3+] 379577778 409853186 /nfs/dbraw/zinc/85/31/86/409853186.db2.gz RQQZZQSSUWQUIK-UHFFFAOYSA-N 2 0 189.259 -1.313 20 0 AAADRP C[NH2+]CC(=O)NCC[NH2+]CCOC 379638776 409859549 /nfs/dbraw/zinc/85/95/49/409859549.db2.gz SPOPZDRBDSJACF-UHFFFAOYSA-N 2 0 189.259 -1.442 20 0 AAADRP COC[C@H]([NH3+])C(=O)N(C)[C@@H](C)C[NH3+] 379634129 409860134 /nfs/dbraw/zinc/86/01/34/409860134.db2.gz QAZDSIDWWDBAPL-BQBZGAKWSA-N 2 0 189.259 -1.234 20 0 AAADRP COC[C@H]([NH3+])C(=O)N(C)[C@H](C)C[NH3+] 379634132 409860664 /nfs/dbraw/zinc/86/06/64/409860664.db2.gz QAZDSIDWWDBAPL-RQJHMYQMSA-N 2 0 189.259 -1.234 20 0 AAADRP COCC[NH2+]CCNC(=O)[C@@H](C)[NH3+] 379648196 409863026 /nfs/dbraw/zinc/86/30/26/409863026.db2.gz BPDRPBRLYRTWQA-SSDOTTSWSA-N 2 0 189.259 -1.314 20 0 AAADRP COCC[NH2+]CCNC(=O)[C@H](C)[NH3+] 379648197 409863397 /nfs/dbraw/zinc/86/33/97/409863397.db2.gz BPDRPBRLYRTWQA-ZETCQYMHSA-N 2 0 189.259 -1.314 20 0 AAADRP C[NH2+]CCCNC(=O)C[NH2+]C 388410146 409955038 /nfs/dbraw/zinc/95/50/38/409955038.db2.gz XDTCOQCBVKXEPF-UHFFFAOYSA-N 2 0 159.233 -1.069 20 0 AAADRP COCC[NH2+]CC(=O)N[C@H](C)C[NH3+] 389246582 409968639 /nfs/dbraw/zinc/96/86/39/409968639.db2.gz BXSVAOMPOGUVON-SSDOTTSWSA-N 2 0 189.259 -1.314 20 0 AAADRP C[NH2+]CCNC(=O)[C@@H]1[C@H]2C[NH2+]C[C@H]21 393677322 409990326 /nfs/dbraw/zinc/99/03/26/409990326.db2.gz HMEZUHCGPIQVFI-JIGDXULJSA-N 2 0 183.255 -1.213 20 0 AAADRP COC[C@H]([NH3+])C(=O)NCC[NH3+] 88003652 572916048 /nfs/dbraw/zinc/91/60/48/572916048.db2.gz CSBQOCLHWKYXKO-YFKPBYRVSA-N 2 0 161.205 -1.965 20 0 AAADRP C[C@H]([NH3+])C(=O)N[C@@H]1CC[NH2+]C1 117154586 573329404 /nfs/dbraw/zinc/32/94/04/573329404.db2.gz FSSLCAHSUJEAGX-NTSWFWBYSA-N 2 0 157.217 -1.188 20 0 AAADRP COCC[NH2+]CC(=O)N[C@@H](C)C[NH3+] 308557411 573347652 /nfs/dbraw/zinc/34/76/52/573347652.db2.gz BXSVAOMPOGUVON-ZETCQYMHSA-N 2 0 189.259 -1.314 20 0 AAADRP O=C(NCC1C[NH2+]C1)N[C@H]1CC[NH2+]C1 258685982 573494455 /nfs/dbraw/zinc/49/44/55/573494455.db2.gz UAAUNJZQEQCGHD-QMMMGPOBSA-N 2 0 198.270 -1.133 20 0 AAADRP [NH3+]CCOCC(=O)N[C@H]1CC[NH2+]C1 308647948 573601897 /nfs/dbraw/zinc/60/18/97/573601897.db2.gz ISPIXWDYCJUVTF-ZETCQYMHSA-N 2 0 187.243 -1.560 20 0 AAADRP [NH3+]CCOCC(=O)N[C@@H]1CC[NH2+]C1 308647947 573602448 /nfs/dbraw/zinc/60/24/48/573602448.db2.gz ISPIXWDYCJUVTF-SSDOTTSWSA-N 2 0 187.243 -1.560 20 0 AAADRP C[NH2+]CCNC(=O)[C@H]1C[NH2+]CCO1 308744249 573814263 /nfs/dbraw/zinc/81/42/63/573814263.db2.gz QOSUXCASHVMSQP-SSDOTTSWSA-N 2 0 187.243 -1.690 20 0 AAADRP CNC(=[NH2+])NC[C@H]1C[NH+]2CCN1CC2 307496238 629765781 /nfs/dbraw/zinc/76/57/81/629765781.db2.gz CMCOYIXMBHWOHD-QMMMGPOBSA-N 2 0 197.286 -1.270 20 0 AAADRP [NH3+]CCNC(=O)[C@@]1(F)CC[NH2+]C1 307711414 629803978 /nfs/dbraw/zinc/80/39/78/629803978.db2.gz TXWJLDKNVRMWFU-SSDOTTSWSA-N 2 0 175.207 -1.237 20 0 AAADRP C1COC[C@@H](NC2C[NH2+]C2)C[NH2+]1 925692498 630035282 /nfs/dbraw/zinc/03/52/82/630035282.db2.gz LOVAHJJXMWXPBT-QMMMGPOBSA-N 2 0 171.244 -1.464 20 0 AAADRP C1COC[C@H](NC2C[NH2+]C2)C[NH2+]1 925692494 630035992 /nfs/dbraw/zinc/03/59/92/630035992.db2.gz LOVAHJJXMWXPBT-MRVPVSSYSA-N 2 0 171.244 -1.464 20 0 AAADRP CNC(=[NH2+])NC[C@@H]1C[NH+]2CCN1CC2 307496237 630170410 /nfs/dbraw/zinc/17/04/10/630170410.db2.gz CMCOYIXMBHWOHD-MRVPVSSYSA-N 2 0 197.286 -1.270 20 0 AAADRP [NH3+]CCNC(=O)[C@]1(F)CC[NH2+]C1 307711415 630185888 /nfs/dbraw/zinc/18/58/88/630185888.db2.gz TXWJLDKNVRMWFU-ZETCQYMHSA-N 2 0 175.207 -1.237 20 0 AAADRP CO[C@@H](C[NH3+])C(=O)N1CC[NH2+]CC1 227349546 630765456 /nfs/dbraw/zinc/76/54/56/630765456.db2.gz MJTVRTMMBCUDJE-ZETCQYMHSA-N 2 0 187.243 -1.608 20 0 AAADRP C[NH2+]CCN(C)[C@H]1C[C@H]([NH3+])C[C@@H]1O 923361462 630898135 /nfs/dbraw/zinc/89/81/35/630898135.db2.gz KACVZLDPQOAXCN-CIUDSAMLSA-N 2 0 187.287 -1.012 20 0 AAADRP CN(CC[NH3+])[C@H]1C[C@H]([NH3+])C[C@@H]1O 923375412 630898318 /nfs/dbraw/zinc/89/83/18/630898318.db2.gz LUMRIBYSURPZOB-FXQIFTODSA-N 2 0 173.260 -1.273 20 0 AAADRP C[C@@H](C[NH3+])NC(=O)N[C@H]1CC[NH2+]C1 851663381 630979816 /nfs/dbraw/zinc/97/98/16/630979816.db2.gz CDANSVFGBGATQG-BQBZGAKWSA-N 2 0 186.259 -1.005 20 0 AAADRP C[NH2+]CCN[C@@H]1C[NH2+]CCOC1 925691555 631048637 /nfs/dbraw/zinc/04/86/37/631048637.db2.gz ISCUTIVJQMKLCO-MRVPVSSYSA-N 2 0 173.260 -1.216 20 0 AAADRP C[NH2+]CCN[C@H]1C[NH2+]CCOC1 925691589 631048699 /nfs/dbraw/zinc/04/86/99/631048699.db2.gz ISCUTIVJQMKLCO-QMMMGPOBSA-N 2 0 173.260 -1.216 20 0 AAADRP C[C@@H]([NH3+])CN[C@H]1C[NH2+]CCOC1 925699244 631049148 /nfs/dbraw/zinc/04/91/48/631049148.db2.gz JLMOUWNZLNVXHN-SFYZADRCSA-N 2 0 173.260 -1.088 20 0 AAADRP C[C@@H](C[NH3+])N[C@@H]1C[NH2+]CCOC1 925700900 631049253 /nfs/dbraw/zinc/04/92/53/631049253.db2.gz TYYPWYOYPNIPIH-JGVFFNPUSA-N 2 0 173.260 -1.088 20 0 AAADRP C1C[C@@H](N[C@@H]2C[NH2+]CCOC2)C[NH2+]1 925693786 631049605 /nfs/dbraw/zinc/04/96/05/631049605.db2.gz RRANWKJEZPRXKT-RKDXNWHRSA-N 2 0 185.271 -1.074 20 0 AAADRP C[C@H]([NH3+])CN[C@@H]1C[NH2+]CCOC1 925699243 631049614 /nfs/dbraw/zinc/04/96/14/631049614.db2.gz JLMOUWNZLNVXHN-JGVFFNPUSA-N 2 0 173.260 -1.088 20 0 AAADRP C1C[C@H](N[C@@H]2C[NH2+]CCOC2)C[NH2+]1 925693782 631049763 /nfs/dbraw/zinc/04/97/63/631049763.db2.gz RRANWKJEZPRXKT-DTWKUNHWSA-N 2 0 185.271 -1.074 20 0 AAADRP C[C@H](C[NH3+])N[C@H]1C[NH2+]CCOC1 925700426 631050259 /nfs/dbraw/zinc/05/02/59/631050259.db2.gz TYYPWYOYPNIPIH-SFYZADRCSA-N 2 0 173.260 -1.088 20 0 AAADRP C[C@@H]([NH3+])CN[C@@H]1C[NH2+]CCOC1 925699242 631050301 /nfs/dbraw/zinc/05/03/01/631050301.db2.gz JLMOUWNZLNVXHN-HTQZYQBOSA-N 2 0 173.260 -1.088 20 0 AAADRP C1COC[C@@H](N[C@@H]2CC[NH2+]C2)C[NH2+]1 925693777 631050532 /nfs/dbraw/zinc/05/05/32/631050532.db2.gz RRANWKJEZPRXKT-BDAKNGLRSA-N 2 0 185.271 -1.074 20 0 AAADRP C[C@H]([NH3+])CN[C@H]1C[NH2+]CCOC1 925699245 631050618 /nfs/dbraw/zinc/05/06/18/631050618.db2.gz JLMOUWNZLNVXHN-YUMQZZPRSA-N 2 0 173.260 -1.088 20 0 AAADRP C[C@@H](C[NH3+])N[C@H]1C[NH2+]CCOC1 925700901 631050725 /nfs/dbraw/zinc/05/07/25/631050725.db2.gz TYYPWYOYPNIPIH-YUMQZZPRSA-N 2 0 173.260 -1.088 20 0 AAADRP C1C[C@H](N[C@H]2C[NH2+]CCOC2)C[NH2+]1 925693784 631050795 /nfs/dbraw/zinc/05/07/95/631050795.db2.gz RRANWKJEZPRXKT-IUCAKERBSA-N 2 0 185.271 -1.074 20 0 AAADRP C[C@H](C[NH3+])N[C@@H]1C[NH2+]CCOC1 925700425 631050847 /nfs/dbraw/zinc/05/08/47/631050847.db2.gz TYYPWYOYPNIPIH-HTQZYQBOSA-N 2 0 173.260 -1.088 20 0 AAADRP OC[C@@H](O)C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 122361913 1224182646 /nfs/dbraw/zinc/18/26/46/1224182646.db2.gz SNMNZAWWQVMYPQ-HLTSFMKQSA-N 2 0 186.255 -1.509 20 0 AAADRP OC[C@@H](O)C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 122361747 1224182658 /nfs/dbraw/zinc/18/26/58/1224182658.db2.gz SNMNZAWWQVMYPQ-CIUDSAMLSA-N 2 0 186.255 -1.509 20 0 AAADRP [NH3+]CCN1C[C@@H]2C[C@H]1C[NH2+]2 213607779 1224216720 /nfs/dbraw/zinc/21/67/20/1224216720.db2.gz HONCFJIKHJNCMO-BQBZGAKWSA-N 2 0 141.218 -1.009 20 0 AAADRP CO[C@@H](C[NH3+])C(=O)NCCCC[NH3+] 227374956 1224227898 /nfs/dbraw/zinc/22/78/98/1224227898.db2.gz LSYAEVOIPOSYTA-ZETCQYMHSA-N 2 0 189.259 -1.185 20 0 AAADRP C[NH2+]CCN(C)C(=O)[C@H](C[NH3+])OC 227385167 1224228118 /nfs/dbraw/zinc/22/81/18/1224228118.db2.gz FZDSMGUPOXDJNK-ZETCQYMHSA-N 2 0 189.259 -1.362 20 0 AAADRP C[C@@H]([NH3+])C(=O)N1CCO[C@@H](C[NH3+])C1 306195241 1224247109 /nfs/dbraw/zinc/24/71/09/1224247109.db2.gz ODVVJKAHXQQZQY-RQJHMYQMSA-N 2 0 187.243 -1.480 20 0 AAADRP C[C@@H]([NH3+])C(=O)N1CCO[C@H](C[NH3+])C1 306195240 1224247837 /nfs/dbraw/zinc/24/78/37/1224247837.db2.gz ODVVJKAHXQQZQY-RNFRBKRXSA-N 2 0 187.243 -1.480 20 0 AAADRP O=C(NCC1C[NH2+]C1)[C@@H]1[C@H]2C[NH2+]C[C@H]21 306220230 1224248601 /nfs/dbraw/zinc/24/86/01/1224248601.db2.gz UMVLQAVEPBPBHH-BRPSZJMVSA-N 2 0 195.266 -1.213 20 0 AAADRP OCC[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 306265051 1224249005 /nfs/dbraw/zinc/24/90/05/1224249005.db2.gz CTSBWFZXDNZPFN-SNVBAGLBSA-N 2 0 199.298 -1.042 20 0 AAADRP OCC[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 306265049 1224249594 /nfs/dbraw/zinc/24/95/94/1224249594.db2.gz CTSBWFZXDNZPFN-JTQLQIEISA-N 2 0 199.298 -1.042 20 0 AAADRP C[C@@H]([NH3+])CNC(=O)CC[NH3+] 306268739 1224249651 /nfs/dbraw/zinc/24/96/51/1224249651.db2.gz RXABYEINVZGNFO-RXMQYKEDSA-N 2 0 145.206 -1.201 20 0 AAADRP C[C@H]([NH3+])CNC(=O)CC[NH3+] 306268740 1224249693 /nfs/dbraw/zinc/24/96/93/1224249693.db2.gz RXABYEINVZGNFO-YFKPBYRVSA-N 2 0 145.206 -1.201 20 0 AAADRP [NH3+]C[C@@H]1CN(C(=O)C2([NH3+])CC2)CCO1 306323273 1224254531 /nfs/dbraw/zinc/25/45/31/1224254531.db2.gz KHECYPKXCRTMHG-SSDOTTSWSA-N 2 0 199.254 -1.336 20 0 AAADRP C[C@@H]([NH3+])CNC(=O)[C@H]1C[NH2+]CCO1 306325902 1224254746 /nfs/dbraw/zinc/25/47/46/1224254746.db2.gz OTZIPYAYGWNFOJ-RNFRBKRXSA-N 2 0 187.243 -1.562 20 0 AAADRP [NH3+]C[C@H]1CN(C(=O)C2([NH3+])CC2)CCO1 306323275 1224254909 /nfs/dbraw/zinc/25/49/09/1224254909.db2.gz KHECYPKXCRTMHG-ZETCQYMHSA-N 2 0 199.254 -1.336 20 0 AAADRP C[C@H]([NH3+])CNC(=O)[C@H]1C[NH2+]CCO1 306325901 1224255018 /nfs/dbraw/zinc/25/50/18/1224255018.db2.gz OTZIPYAYGWNFOJ-NKWVEPMBSA-N 2 0 187.243 -1.562 20 0 AAADRP C[C@@H](C[NH3+])NC(=O)CC[NH3+] 306591555 1224267992 /nfs/dbraw/zinc/26/79/92/1224267992.db2.gz QCRAXMWLOLNIBF-YFKPBYRVSA-N 2 0 145.206 -1.201 20 0 AAADRP [NH3+]CCN1CCN([C@@H]2CC[NH2+]C2)CC1 306640748 1224269139 /nfs/dbraw/zinc/26/91/39/1224269139.db2.gz KQMVXZWFAGGXRP-SNVBAGLBSA-N 2 0 198.314 -1.075 20 0 AAADRP [NH3+]CCN1CCN([C@H]2CC[NH2+]C2)CC1 306640747 1224269574 /nfs/dbraw/zinc/26/95/74/1224269574.db2.gz KQMVXZWFAGGXRP-JTQLQIEISA-N 2 0 198.314 -1.075 20 0 AAADRP [NH3+][C@@H]1CCN(C(=O)[C@H]2C[NH2+]CCO2)C1 307188590 1224280614 /nfs/dbraw/zinc/28/06/14/1224280614.db2.gz XGJCDRJWEYOXER-HTQZYQBOSA-N 2 0 199.254 -1.466 20 0 AAADRP [NH3+][C@H]1CCN(C(=O)[C@H]2C[NH2+]CCO2)C1 307521905 1224286722 /nfs/dbraw/zinc/28/67/22/1224286722.db2.gz XGJCDRJWEYOXER-JGVFFNPUSA-N 2 0 199.254 -1.466 20 0 AAADRP COC[C@H]([NH3+])C(=O)N[C@@H](C)C[NH3+] 308202060 1224296800 /nfs/dbraw/zinc/29/68/00/1224296800.db2.gz ZDWULLAAUYDKQW-WDSKDSINSA-N 2 0 175.232 -1.577 20 0 AAADRP C[C@@H]([NH3+])CNC(=O)COCC[NH3+] 308287987 1224297856 /nfs/dbraw/zinc/29/78/56/1224297856.db2.gz AAJWTLPIDDWLPJ-ZCFIWIBFSA-N 2 0 175.232 -1.575 20 0 AAADRP COC[C@H]([NH3+])C(=O)NC[C@@H](C)[NH3+] 379374057 1224309533 /nfs/dbraw/zinc/30/95/33/1224309533.db2.gz MHUHLMVLUOVMJE-RITPCOANSA-N 2 0 175.232 -1.577 20 0 AAADRP C[C@@H](C[NH3+])NC(=O)COCC[NH3+] 379375907 1224309778 /nfs/dbraw/zinc/30/97/78/1224309778.db2.gz QZZWSGFFWXATHB-LURJTMIESA-N 2 0 175.232 -1.575 20 0 AAADRP COC[C@H]([NH3+])C(=O)NC[C@H](C)[NH3+] 379374058 1224309839 /nfs/dbraw/zinc/30/98/39/1224309839.db2.gz MHUHLMVLUOVMJE-WDSKDSINSA-N 2 0 175.232 -1.577 20 0 AAADRP CO[C@@H](C[NH3+])C(=O)N[C@H](C)C[NH3+] 379385701 1224310585 /nfs/dbraw/zinc/31/05/85/1224310585.db2.gz UZQXZYHLBYQZPV-RITPCOANSA-N 2 0 175.232 -1.577 20 0 AAADRP [NH3+]CCOCC(=O)N[C@H]1[C@@H]2C[NH2+]C[C@@H]21 380245706 1224319073 /nfs/dbraw/zinc/31/90/73/1224319073.db2.gz ODAPHBCLPJKRFZ-QMSLJYSESA-N 2 0 199.254 -1.704 20 0 AAADRP C[NH+](C)CC(=O)NCC1C[NH2+]C1 397763917 1224337860 /nfs/dbraw/zinc/33/78/60/1224337860.db2.gz XMDKNGHTFRQSJB-UHFFFAOYSA-N 2 0 171.244 -1.116 20 0 AAADRP [NH3+]CCC(=O)N[C@H]1C[C@H]([NH3+])C1 1346408243 1224465619 /nfs/dbraw/zinc/46/56/19/1224465619.db2.gz TYIUVERCCFNOHR-IZLXSQMJSA-N 2 0 157.217 -1.059 20 0 AAADRP [NH3+][C@H]1C[C@H](NC(=O)[C@@H]2C[NH2+]CCO2)C1 1346408153 1224465651 /nfs/dbraw/zinc/46/56/51/1224465651.db2.gz RLDAUGGAFSIOJG-FXQIFTODSA-N 2 0 199.254 -1.419 20 0 AAADRP C[NH2+]CC(=O)N[C@H]1C[C@H]([NH3+])C1 1346407900 1224465671 /nfs/dbraw/zinc/46/56/71/1224465671.db2.gz PNRKDEKKOKUPAI-IZLXSQMJSA-N 2 0 157.217 -1.188 20 0 AAADRP [NH3+]C1(CNC(=O)NCC2C[NH2+]C2)CC1 1346477669 1224466734 /nfs/dbraw/zinc/46/67/34/1224466734.db2.gz GSCUFITZMGCXNJ-UHFFFAOYSA-N 2 0 198.270 -1.004 20 0 AAADRP [NH3+]C[C@@H]1C[NH2+]CC[C@H]1O 78176161 537874785 /nfs/dbraw/zinc/87/47/85/537874785.db2.gz NQCKVWFTWTXDLR-PHDIDXHHSA-N 2 0 130.191 -1.085 20 0 AAADRP [NH3+]C[C@H]1C[NH2+]CC[C@H]1O 78176160 537875604 /nfs/dbraw/zinc/87/56/04/537875604.db2.gz NQCKVWFTWTXDLR-NTSWFWBYSA-N 2 0 130.191 -1.085 20 0 AAADRP [NH3+]C[C@@H]1C[NH2+]CC[C@@H]1O 78176163 537875726 /nfs/dbraw/zinc/87/57/26/537875726.db2.gz NQCKVWFTWTXDLR-RITPCOANSA-N 2 0 130.191 -1.085 20 0 AAADRP [NH3+]C[C@H]1C[NH2+]CC[C@@H]1O 78176162 537875870 /nfs/dbraw/zinc/87/58/70/537875870.db2.gz NQCKVWFTWTXDLR-WDSKDSINSA-N 2 0 130.191 -1.085 20 0 AAADRP CC[NH+]1CCN([C@@H]2C[NH2+]C[C@H]2O)CC1 82524078 537883793 /nfs/dbraw/zinc/88/37/93/537883793.db2.gz ZJBIJKOPSFUZLW-NXEZZACHSA-N 2 0 199.298 -1.043 20 0 AAADRP O[C@@H]1C[NH2+]C[C@H]1N1CC[NH2+]CC1 82524404 537885484 /nfs/dbraw/zinc/88/54/84/537885484.db2.gz XCQKGRUMUUYHMJ-HTQZYQBOSA-N 2 0 171.244 -1.776 20 0 AAADRP [NH3+]C[C@@]1(C2(O)C[NH2+]C2)CCOC1 85923929 537926168 /nfs/dbraw/zinc/92/61/68/537926168.db2.gz VRHPMWATKMRBNB-ZETCQYMHSA-N 2 0 172.228 -1.314 20 0 AAADRP [NH3+]C[C@]1(C2(O)C[NH2+]C2)CCOC1 85923925 537927691 /nfs/dbraw/zinc/92/76/91/537927691.db2.gz VRHPMWATKMRBNB-SSDOTTSWSA-N 2 0 172.228 -1.314 20 0 AAADRP C[C@H](C[NH3+])C1(O)C[NH2+]C1 85923853 537927745 /nfs/dbraw/zinc/92/77/45/537927745.db2.gz QJUZEWHOFVFSQD-RXMQYKEDSA-N 2 0 130.191 -1.085 20 0 AAADRP C[C@@H](C[NH3+])C1(O)C[NH2+]C1 85923851 537928136 /nfs/dbraw/zinc/92/81/36/537928136.db2.gz QJUZEWHOFVFSQD-YFKPBYRVSA-N 2 0 130.191 -1.085 20 0 AAADRP NC(=O)[C@@]1(N2CC[NH2+]CC2)CC[NH2+]C1 307454977 538315601 /nfs/dbraw/zinc/31/56/01/538315601.db2.gz ZQGLXSABKYRZBG-SECBINFHSA-N 2 0 198.270 -1.891 20 0 AAADRP NC(=O)[C@]1(N2CC[NH2+]CC2)CC[NH2+]C1 307454978 538316476 /nfs/dbraw/zinc/31/64/76/538316476.db2.gz ZQGLXSABKYRZBG-VIFPVBQESA-N 2 0 198.270 -1.891 20 0 AAADRP C[C@H]([NH3+])C(=O)N[C@H]1CC[NH2+]C1 117154588 756988477 /nfs/dbraw/zinc/98/84/77/756988477.db2.gz FSSLCAHSUJEAGX-WDSKDSINSA-N 2 0 157.217 -1.188 20 0 AAADRP C[NH2+]CCNC(=O)C[NH2+]C 146984654 756997088 /nfs/dbraw/zinc/99/70/88/756997088.db2.gz NNYSAKIWTICVOR-UHFFFAOYSA-N 2 0 145.206 -1.459 20 0 AAADRP [NH3+][C@H]1CCN(CCN2CC[NH2+]CC2)C1 165686357 757013194 /nfs/dbraw/zinc/01/31/94/757013194.db2.gz KOJPEJUNQKQEKR-JTQLQIEISA-N 2 0 198.314 -1.075 20 0 AAADRP C[NH2+]CCNC(=O)[C@@H](C)[NH3+] 306420131 757065000 /nfs/dbraw/zinc/06/50/00/757065000.db2.gz WXKIKUVHZYODNX-RXMQYKEDSA-N 2 0 145.206 -1.331 20 0 AAADRP C[C@H](C[NH3+])NC(=O)[C@H]1C[NH2+]CCO1 306866587 757079341 /nfs/dbraw/zinc/07/93/41/757079341.db2.gz OCTIJLBVRTVDTP-RNFRBKRXSA-N 2 0 187.243 -1.562 20 0 AAADRP C[C@H](C[NH3+])NC(=O)[C@@H]1C[NH2+]CCO1 307409858 757090552 /nfs/dbraw/zinc/09/05/52/757090552.db2.gz OCTIJLBVRTVDTP-RQJHMYQMSA-N 2 0 187.243 -1.562 20 0 AAADRP CN(C[C@@H](O)C[NH3+])C[C@H](O)CO 308079379 572619920 /nfs/dbraw/zinc/61/99/20/572619920.db2.gz HZSPUXCKOCJHLM-BQBZGAKWSA-N 2 0 178.232 -2.409 20 0 AAADRP C[NH2+]CCN(C)C(=O)COCC[NH3+] 86435099 572937122 /nfs/dbraw/zinc/93/71/22/572937122.db2.gz SYCCQOYEODMNAB-UHFFFAOYSA-N 2 0 189.259 -1.361 20 0 AAADRP C[NH2+]C[C@@H](O)C[NH2+]C[C@@H](O)COC 1118178907 757655961 /nfs/dbraw/zinc/65/59/61/757655961.db2.gz HGPWFEPXLLQVRD-HTQZYQBOSA-N 2 0 192.259 -1.836 20 0 AAADRP C[NH2+]C[C@H](O)C[NH2+]C[C@@H](O)COC 1118178910 757657173 /nfs/dbraw/zinc/65/71/73/757657173.db2.gz HGPWFEPXLLQVRD-JGVFFNPUSA-N 2 0 192.259 -1.836 20 0 AAADRP CN(CC[NH3+])C(=O)COCC[NH3+] 1118165628 757657483 /nfs/dbraw/zinc/65/74/83/757657483.db2.gz XRECXHCMVJMDSK-UHFFFAOYSA-N 2 0 175.232 -1.621 20 0 AAADRP C[NH2+]C[C@@H](O)C[NH2+]C[C@H](O)COC 1118242534 757664820 /nfs/dbraw/zinc/66/48/20/757664820.db2.gz HGPWFEPXLLQVRD-SFYZADRCSA-N 2 0 192.259 -1.836 20 0 AAADRP CN(CCOCC[NH3+])C[C@@H](O)C[NH3+] 1118264115 757665283 /nfs/dbraw/zinc/66/52/83/757665283.db2.gz SJIRBHXJQJXDCJ-QMMMGPOBSA-N 2 0 191.275 -1.787 20 0 AAADRP [NH3+]CC(=O)N1CCCO[C@H](C[NH3+])C1 1118204590 757667663 /nfs/dbraw/zinc/66/76/63/757667663.db2.gz ASNAYZXFJIRAMF-SSDOTTSWSA-N 2 0 187.243 -1.479 20 0 AAADRP [NH3+]CC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 1118203836 757670446 /nfs/dbraw/zinc/67/04/46/757670446.db2.gz QCGBYVGAZSVYFI-RQJHMYQMSA-N 2 0 169.228 -1.235 20 0 AAADRP CN(CCOCC[NH3+])C[C@H](O)C[NH3+] 1118264114 757670696 /nfs/dbraw/zinc/67/06/96/757670696.db2.gz SJIRBHXJQJXDCJ-MRVPVSSYSA-N 2 0 191.275 -1.787 20 0 AAADRP C[NH2+]C[C@H](O)C[NH2+]C[C@H](O)COC 1118242535 757671311 /nfs/dbraw/zinc/67/13/11/757671311.db2.gz HGPWFEPXLLQVRD-YUMQZZPRSA-N 2 0 192.259 -1.836 20 0 AAADRP [NH3+]CC(=O)N1CCCO[C@@H](C[NH3+])C1 1118204591 757671948 /nfs/dbraw/zinc/67/19/48/757671948.db2.gz ASNAYZXFJIRAMF-ZETCQYMHSA-N 2 0 187.243 -1.479 20 0 AAADRP [NH3+]C[C@@H]1CCN(C(=O)C2(O)C[NH2+]C2)C1 1118507444 757681515 /nfs/dbraw/zinc/68/15/15/757681515.db2.gz XMRIWKXPZMQOOQ-ZETCQYMHSA-N 2 0 199.254 -1.872 20 0 AAADRP O=C(NC1CC[NH2+]CC1)C1(O)C[NH2+]C1 1118505666 757682054 /nfs/dbraw/zinc/68/20/54/757682054.db2.gz GQDKSYHTYOTAGQ-UHFFFAOYSA-N 2 0 199.254 -1.811 20 0 AAADRP [NH3+]C[C@H]1CCN(C(=O)C2(O)C[NH2+]C2)C1 1118507442 757687677 /nfs/dbraw/zinc/68/76/77/757687677.db2.gz XMRIWKXPZMQOOQ-SSDOTTSWSA-N 2 0 199.254 -1.872 20 0 AAADRP C[NH2+]C[C@@H](C)NC(=O)COCC[NH3+] 1118510503 757692397 /nfs/dbraw/zinc/69/23/97/757692397.db2.gz HMQVKEUCBHAGQZ-SSDOTTSWSA-N 2 0 189.259 -1.314 20 0 AAADRP C[NH2+]C[C@H](C)NC(=O)COCC[NH3+] 1118510504 757695056 /nfs/dbraw/zinc/69/50/56/757695056.db2.gz HMQVKEUCBHAGQZ-ZETCQYMHSA-N 2 0 189.259 -1.314 20 0 AAADRP [NH3+]CCNC(=O)[C@@H]1CCO[C@H]1C[NH3+] 1118568469 757696875 /nfs/dbraw/zinc/69/68/75/757696875.db2.gz BBAFGNFFLGVRSP-RQJHMYQMSA-N 2 0 187.243 -1.575 20 0 AAADRP [NH3+]CCNC(=O)[C@H]1CCO[C@@H]1C[NH3+] 1118568467 757699633 /nfs/dbraw/zinc/69/96/33/757699633.db2.gz BBAFGNFFLGVRSP-NKWVEPMBSA-N 2 0 187.243 -1.575 20 0 AAADRP [NH3+]CCNC(=O)[C@@H]1CCO[C@@H]1C[NH3+] 1118568468 757701294 /nfs/dbraw/zinc/70/12/94/757701294.db2.gz BBAFGNFFLGVRSP-RNFRBKRXSA-N 2 0 187.243 -1.575 20 0 AAADRP [NH3+]CCNC(=O)[C@H]1CCO[C@H]1C[NH3+] 1118568466 757702876 /nfs/dbraw/zinc/70/28/76/757702876.db2.gz BBAFGNFFLGVRSP-BQBZGAKWSA-N 2 0 187.243 -1.575 20 0 AAADRP COC[C@H]([NH3+])C(=O)N[C@@H](C)CC[NH3+] 393655415 573020809 /nfs/dbraw/zinc/02/08/09/573020809.db2.gz HOUOSEVNCDAVNK-BQBZGAKWSA-N 2 0 189.259 -1.186 20 0 AAADRP [NH3+][C@H]1C[C@@H](CNC(=O)C2(O)C[NH2+]C2)C1 1119301011 757747445 /nfs/dbraw/zinc/74/74/45/757747445.db2.gz NGVVTLYEFZKNAU-KNVOCYPGSA-N 2 0 199.254 -1.826 20 0 AAADRP [NH3+]CC(C[NH3+])NC[C@H]1CCC[NH2+]1 1119619272 757782877 /nfs/dbraw/zinc/78/28/77/757782877.db2.gz XTVMJGXEWAFBTQ-SSDOTTSWSA-N 3 0 172.276 -1.386 20 0 AAADRP C1COC[C@H](N[C@H]2[C@@H]3C[NH2+]C[C@@H]32)C[NH2+]1 1119631106 757795823 /nfs/dbraw/zinc/79/58/23/757795823.db2.gz NYOJKSJPYZXUOA-IMSYWVGJSA-N 2 0 197.282 -1.218 20 0 AAADRP C1COC[C@@H](N[C@H]2[C@@H]3C[NH2+]C[C@@H]32)C[NH2+]1 1119631105 757799563 /nfs/dbraw/zinc/79/95/63/757799563.db2.gz NYOJKSJPYZXUOA-AXTSPUMRSA-N 2 0 197.282 -1.218 20 0 AAADRP [NH3+][C@H](CO)C(=O)NC[C@H]1CCC[NH2+]1 1120453489 757808133 /nfs/dbraw/zinc/80/81/33/757808133.db2.gz RHJCCEWLFLDSBE-RNFRBKRXSA-N 2 0 187.243 -1.826 20 0 AAADRP [NH3+][C@H](CO)C(=O)N1CCC[NH2+]CC1 1120452892 757808378 /nfs/dbraw/zinc/80/83/78/757808378.db2.gz NIPUQIJEUJCPGL-SSDOTTSWSA-N 2 0 187.243 -1.872 20 0 AAADRP C[NH2+]CCCNC(=O)CNCC[NH3+] 1120454536 757808653 /nfs/dbraw/zinc/80/86/53/757808653.db2.gz XGOAGGWITHWMMG-UHFFFAOYSA-N 2 0 188.275 -1.740 20 0 AAADRP C[NH2+]C[C@@H](C)CNC(=O)[C@H]([NH3+])CO 1120453402 757808985 /nfs/dbraw/zinc/80/89/85/757808985.db2.gz QRAYDFYUJOFEMD-RNFRBKRXSA-N 2 0 189.259 -1.722 20 0 AAADRP [NH3+][C@H](CO)C(=O)NC[C@@H]1CCC[NH2+]1 1120453488 757809093 /nfs/dbraw/zinc/80/90/93/757809093.db2.gz RHJCCEWLFLDSBE-NKWVEPMBSA-N 2 0 187.243 -1.826 20 0 AAADRP C[NH2+]C[C@H](C)CNC(=O)[C@H]([NH3+])CO 1120453401 757809534 /nfs/dbraw/zinc/80/95/34/757809534.db2.gz QRAYDFYUJOFEMD-NKWVEPMBSA-N 2 0 189.259 -1.722 20 0 AAADRP CN(CC[NH3+])C(=O)CNCC[NH3+] 1121991307 757829774 /nfs/dbraw/zinc/82/97/74/757829774.db2.gz XXQCSWRJAQYGSD-UHFFFAOYSA-N 2 0 174.248 -2.048 20 0 AAADRP C[C@@H]([NH3+])CN(C)C(=O)C[C@@H](O)C[NH3+] 1122096876 757830357 /nfs/dbraw/zinc/83/03/57/757830357.db2.gz WQWAKTOAPJFMSY-RNFRBKRXSA-N 2 0 189.259 -1.498 20 0 AAADRP C[C@H]([NH3+])CN(C)C(=O)C[C@H](O)C[NH3+] 1122096871 757830663 /nfs/dbraw/zinc/83/06/63/757830663.db2.gz WQWAKTOAPJFMSY-BQBZGAKWSA-N 2 0 189.259 -1.498 20 0 AAADRP [NH3+]C[C@@H](O)CNC(=O)C[NH2+]C1CC1 1122073886 757830955 /nfs/dbraw/zinc/83/09/55/757830955.db2.gz WCBOVBSAQHFJFV-SSDOTTSWSA-N 2 0 187.243 -1.826 20 0 AAADRP C[C@H]([NH3+])CN(C)C(=O)CNCC[NH3+] 1122096181 757830960 /nfs/dbraw/zinc/83/09/60/757830960.db2.gz OKSZJUOFNAVJFT-ZETCQYMHSA-N 2 0 188.275 -1.660 20 0 AAADRP C[C@H]([NH3+])CN(C)C(=O)C[C@@H](O)C[NH3+] 1122096875 757830969 /nfs/dbraw/zinc/83/09/69/757830969.db2.gz WQWAKTOAPJFMSY-NKWVEPMBSA-N 2 0 189.259 -1.498 20 0 AAADRP C[NH2+]C[C@H](C)NC(=O)CNCC[NH3+] 1122077229 757831079 /nfs/dbraw/zinc/83/10/79/757831079.db2.gz LXARKXUIPNUCCB-ZETCQYMHSA-N 2 0 188.275 -1.741 20 0 AAADRP [NH3+][C@H]1C[C@H](C(=O)N[C@@H]2C[NH2+]C[C@@H]2O)C1 1122079928 757831301 /nfs/dbraw/zinc/83/13/01/757831301.db2.gz UPIJOHZFOHVWJC-XUTVFYLZSA-N 2 0 199.254 -1.827 20 0 AAADRP [NH3+][C@H](CO)C(=O)N1C[C@@H]2CC[C@H](C1)[NH2+]2 1122101978 757831308 /nfs/dbraw/zinc/83/13/08/757831308.db2.gz BGFMYGYODSUSPZ-GJMOJQLCSA-N 2 0 199.254 -1.731 20 0 AAADRP C[C@@H]([NH3+])CC(=O)NCC1(O)C[NH2+]C1 1122137362 757831674 /nfs/dbraw/zinc/83/16/74/757831674.db2.gz YYUPNBUJOAVBDI-ZCFIWIBFSA-N 2 0 187.243 -1.826 20 0 AAADRP CN(C(=O)[C@H]([NH3+])CO)C1CC([NH3+])C1 1122024528 757831922 /nfs/dbraw/zinc/83/19/22/757831922.db2.gz WVVKISJWEXEFRD-KPGICGJXSA-N 2 0 187.243 -1.746 20 0 AAADRP C[C@@H]([NH3+])C(=O)NCC1(O)C[NH2+]C1 1122055794 757831987 /nfs/dbraw/zinc/83/19/87/757831987.db2.gz OSRPIDDNAVSYOP-RXMQYKEDSA-N 2 0 173.216 -2.216 20 0 AAADRP C[C@@H]([NH3+])CN(C)C(=O)C[C@H](O)C[NH3+] 1122096879 757831997 /nfs/dbraw/zinc/83/19/97/757831997.db2.gz WQWAKTOAPJFMSY-RQJHMYQMSA-N 2 0 189.259 -1.498 20 0 AAADRP C[C@H](C[NH3+])C(=O)NCC1(O)C[NH2+]C1 1122136574 757832286 /nfs/dbraw/zinc/83/22/86/757832286.db2.gz NAOLTVZMVHBKGC-ZCFIWIBFSA-N 2 0 187.243 -1.968 20 0 AAADRP C[C@@H](C[NH3+])C(=O)NCC1(O)C[NH2+]C1 1122136573 757832332 /nfs/dbraw/zinc/83/23/32/757832332.db2.gz NAOLTVZMVHBKGC-LURJTMIESA-N 2 0 187.243 -1.968 20 0 AAADRP C[NH2+]C[C@@H](C)NC(=O)CNCC[NH3+] 1122077228 757832359 /nfs/dbraw/zinc/83/23/59/757832359.db2.gz LXARKXUIPNUCCB-SSDOTTSWSA-N 2 0 188.275 -1.741 20 0 AAADRP [NH3+]C[C@H](O)CNC(=O)C[NH2+]C1CC1 1122073887 757832524 /nfs/dbraw/zinc/83/25/24/757832524.db2.gz WCBOVBSAQHFJFV-ZETCQYMHSA-N 2 0 187.243 -1.826 20 0 AAADRP C[C@@H]([NH3+])CN(C)C(=O)CNCC[NH3+] 1122096180 757832574 /nfs/dbraw/zinc/83/25/74/757832574.db2.gz OKSZJUOFNAVJFT-SSDOTTSWSA-N 2 0 188.275 -1.660 20 0 AAADRP C[NH2+][C@@H](C)C(=O)NCC1(O)C[NH2+]C1 1122136626 757832609 /nfs/dbraw/zinc/83/26/09/757832609.db2.gz OLFRRJUMNVBJAL-LURJTMIESA-N 2 0 187.243 -1.955 20 0 AAADRP [NH3+]C[C@H](O)CNC(=O)[C@@H]1CCC[NH2+]1 1122150098 757832857 /nfs/dbraw/zinc/83/28/57/757832857.db2.gz QFZBXILWGSSVFR-BQBZGAKWSA-N 2 0 187.243 -1.826 20 0 AAADRP [NH3+]C1(CNC(=O)[C@@H]2C[NH2+]CCO2)CC1 1122260731 757832899 /nfs/dbraw/zinc/83/28/99/757832899.db2.gz KPXRVLBPGPLILR-ZETCQYMHSA-N 2 0 199.254 -1.418 20 0 AAADRP COC[C@H]([NH3+])C(=O)NCC1([NH3+])CC1 1122262704 757832939 /nfs/dbraw/zinc/83/29/39/757832939.db2.gz WWRAKKRFMKJGQR-LURJTMIESA-N 2 0 187.243 -1.432 20 0 AAADRP C[NH2+]CC(=O)NCC1([NH3+])CC1 1122264513 757833489 /nfs/dbraw/zinc/83/34/89/757833489.db2.gz XYGPNGDDWLZUMI-UHFFFAOYSA-N 2 0 157.217 -1.187 20 0 AAADRP C[NH2+]CCCC(=O)NC[C@@H](O)C[NH3+] 1122150413 757833618 /nfs/dbraw/zinc/83/36/18/757833618.db2.gz ZKZLAZDCCOQURY-ZETCQYMHSA-N 2 0 189.259 -1.578 20 0 AAADRP [NH3+]C1(C(=O)N[C@@H]2C[NH2+]C[C@@H]2O)CC1 1122157393 757834174 /nfs/dbraw/zinc/83/41/74/757834174.db2.gz WFDNVNLQNRWWSX-RITPCOANSA-N 2 0 185.227 -2.073 20 0 AAADRP [NH3+]C[C@@H](O)CNC(=O)[C@@H]1CCC[NH2+]1 1122150099 757834307 /nfs/dbraw/zinc/83/43/07/757834307.db2.gz QFZBXILWGSSVFR-RQJHMYQMSA-N 2 0 187.243 -1.826 20 0 AAADRP C[NH2+]CCCC(=O)NC[C@H](O)C[NH3+] 1122150412 757834898 /nfs/dbraw/zinc/83/48/98/757834898.db2.gz ZKZLAZDCCOQURY-SSDOTTSWSA-N 2 0 189.259 -1.578 20 0 AAADRP C[C@@H]([NH3+])C(=O)NCC1([NH3+])CC1 1122264280 757834906 /nfs/dbraw/zinc/83/49/06/757834906.db2.gz SUHHTRORWBCCBU-RXMQYKEDSA-N 2 0 157.217 -1.059 20 0 AAADRP C[C@H]([NH3+])C(=O)NCC1([NH3+])CC1 1122349521 757837210 /nfs/dbraw/zinc/83/72/10/757837210.db2.gz SUHHTRORWBCCBU-YFKPBYRVSA-N 2 0 157.217 -1.059 20 0 AAADRP [NH3+]CC(=O)N[C@H]1C[C@H]([NH3+])C1 1122489333 757840373 /nfs/dbraw/zinc/84/03/73/757840373.db2.gz QTWMVOOGBGQFOW-URHBZAFASA-N 2 0 143.190 -1.449 20 0 AAADRP C[C@H]([NH3+])C(=O)N[C@H]1C[C@H]([NH3+])C1 1122489353 757840615 /nfs/dbraw/zinc/84/06/15/757840615.db2.gz RHZVNDNWSSBMDN-ZLUOBGJFSA-N 2 0 157.217 -1.061 20 0 AAADRP COC(=O)[C@H](C[NH3+])C1C[NH2+]C1 107119094 573353720 /nfs/dbraw/zinc/35/37/20/573353720.db2.gz DKKVKYQNSRGVFS-ZCFIWIBFSA-N 2 0 158.201 -1.046 20 0 AAADRP C[NH2+]CCCN(CC[NH3+])CCO 308382190 573423596 /nfs/dbraw/zinc/42/35/96/573423596.db2.gz RBJKRDGJMSBKOT-UHFFFAOYSA-N 2 0 175.276 -1.151 20 0 AAADRP [NH3+][C@H](CO)C(=O)N1CC[NH2+]CC1 139695902 571953480 /nfs/dbraw/zinc/95/34/80/571953480.db2.gz RTSSNYQNZYCCCW-ZCFIWIBFSA-N 2 0 173.216 -2.262 20 0 AAADRP O=C(NCC1C[NH2+]C1)N[C@@H]1CC[NH2+]C1 258685973 573493849 /nfs/dbraw/zinc/49/38/49/573493849.db2.gz UAAUNJZQEQCGHD-MRVPVSSYSA-N 2 0 198.270 -1.133 20 0 AAADRP COC[C@H]([NH3+])C(=O)NCCCC[NH3+] 88003660 572915535 /nfs/dbraw/zinc/91/55/35/572915535.db2.gz GZINKKUNSSRQQF-ZETCQYMHSA-N 2 0 189.259 -1.185 20 0 AAADRP [NH3+]CCCCNC(=O)COCC[NH3+] 86434738 572937888 /nfs/dbraw/zinc/93/78/88/572937888.db2.gz ZXABQFMINUDDSB-UHFFFAOYSA-N 2 0 189.259 -1.183 20 0 AAADRP [NH3+]CCNC(=O)COCC[NH3+] 86434736 572937894 /nfs/dbraw/zinc/93/78/94/572937894.db2.gz NAYZFICFJVBAGQ-UHFFFAOYSA-N 2 0 161.205 -1.963 20 0 AAADRP C[C@H]([NH3+])C(=O)N[C@H](C)C[NH3+] 211881619 573521493 /nfs/dbraw/zinc/52/14/93/573521493.db2.gz QTFCTAXXJAZPER-UHNVWZDZSA-N 2 0 145.206 -1.203 20 0 AAADRP [NH3+]CC1(O)CC[NH+](CCO)CC1 107458635 573622072 /nfs/dbraw/zinc/62/20/72/573622072.db2.gz NFOZVXBSTXQLLP-UHFFFAOYSA-N 2 0 174.244 -1.236 20 0 AAADRP C[NH2+]CCNC(=O)C[C@@H](C[NH3+])OC 308656478 573651746 /nfs/dbraw/zinc/65/17/46/573651746.db2.gz OHTKDTYNMUCDOM-ZETCQYMHSA-N 2 0 189.259 -1.314 20 0 AAADRP C[NH2+]CCCNC(=O)COCC[NH3+] 308667708 573667074 /nfs/dbraw/zinc/66/70/74/573667074.db2.gz TZFWAWBVVUVQRM-UHFFFAOYSA-N 2 0 189.259 -1.313 20 0 AAADRP CO[C@H](C[NH3+])CC(=O)N[C@@H](C)C[NH3+] 308677870 573692205 /nfs/dbraw/zinc/69/22/05/573692205.db2.gz WRDXVHUYRNDAFX-BQBZGAKWSA-N 2 0 189.259 -1.186 20 0 AAADRP CC[NH2+]CC(=O)N[C@H]1[C@@H]2C[NH2+]C[C@@H]21 308714610 573774471 /nfs/dbraw/zinc/77/44/71/573774471.db2.gz ARDFKRPJOKKYSU-QMSLJYSESA-N 2 0 183.255 -1.070 20 0 AAADRP C[C@@H](O)C[N@H+](C)C[C@@H](O)C[NH3+] 393571044 573918310 /nfs/dbraw/zinc/91/83/10/573918310.db2.gz WATIISHNHPWSSP-RQJHMYQMSA-N 2 0 162.233 -1.381 20 0 AAADRP [NH3+]CC(=O)NC1CC[NH2+]CC1 82254568 573993450 /nfs/dbraw/zinc/99/34/50/573993450.db2.gz LQDQYXSBBKSLTK-UHFFFAOYSA-N 2 0 157.217 -1.187 20 0 AAADRP C[NH+](C)CCNC(=O)CNCC[NH3+] 1219553656 763978644 /nfs/dbraw/zinc/97/86/44/763978644.db2.gz FMGNUGRFRUVGRW-UHFFFAOYSA-N 2 0 188.275 -1.788 20 0 AAADRP C[NH2+]CCNC(=O)[C@@H]([NH3+])C(C)(C)O 1220051297 764007985 /nfs/dbraw/zinc/00/79/85/764007985.db2.gz TYGKWIHAJGRYJA-ZCFIWIBFSA-N 2 0 189.259 -1.580 20 0 AAADRP [NH3+]C1(C(=O)NC[C@H]2COCC[NH2+]2)CC1 1220429275 764018765 /nfs/dbraw/zinc/01/87/65/764018765.db2.gz ONDVLLUWVIPFTA-ZETCQYMHSA-N 2 0 199.254 -1.418 20 0 AAADRP C[C@@H]([NH3+])C(=O)NC[C@H]1COCC[NH2+]1 1220429560 764019555 /nfs/dbraw/zinc/01/95/55/764019555.db2.gz UWXFPHOPLGQBJG-RQJHMYQMSA-N 2 0 187.243 -1.562 20 0 AAADRP C[C@@H]([NH3+])C(=O)NC[C@@H]1COCC[NH2+]1 1220429559 764021705 /nfs/dbraw/zinc/02/17/05/764021705.db2.gz UWXFPHOPLGQBJG-RNFRBKRXSA-N 2 0 187.243 -1.562 20 0 AAADRP [NH3+]C1(C(=O)NC[C@@H]2COCC[NH2+]2)CC1 1220429274 764022431 /nfs/dbraw/zinc/02/24/31/764022431.db2.gz ONDVLLUWVIPFTA-SSDOTTSWSA-N 2 0 199.254 -1.418 20 0 AAADRP C[NH+](C)CCNC(=O)[C@H]([NH3+])CO 83340221 1169113259 /nfs/dbraw/zinc/11/32/59/1169113259.db2.gz FHVKOHBBILAKLM-ZCFIWIBFSA-N 2 0 175.232 -2.016 20 0 AAADRP [NH3+]CC(=O)NCCN1CC[NH2+]CC1 83341164 1169113336 /nfs/dbraw/zinc/11/33/36/1169113336.db2.gz JPVKQRXLUYCVJU-UHFFFAOYSA-N 2 0 186.259 -2.034 20 0 AAADRP C[NH2+]CCCNC(=O)[C@@H]([NH3+])COC 83341469 1169113773 /nfs/dbraw/zinc/11/37/73/1169113773.db2.gz RRZRIZKXZOHLCD-ZETCQYMHSA-N 2 0 189.259 -1.314 20 0 AAADRP C[NH2+]CCCNC(=O)C[NH3+] 83339511 1169114047 /nfs/dbraw/zinc/11/40/47/1169114047.db2.gz CEMMRGCJLMERPV-UHFFFAOYSA-N 2 0 145.206 -1.329 20 0 AAADRP C[NH+](C)CCCNC(=O)[C@H]([NH3+])CO 83341470 1169114343 /nfs/dbraw/zinc/11/43/43/1169114343.db2.gz KRNWIXPARMJTEQ-SSDOTTSWSA-N 2 0 189.259 -1.626 20 0 AAADRP COCC[NH2+]CC(=O)NCC[NH3+] 86158122 1169123372 /nfs/dbraw/zinc/12/33/72/1169123372.db2.gz MHUHCJVAHCSNKL-UHFFFAOYSA-N 2 0 175.232 -1.703 20 0 AAADRP CC[NH2+]CCNC(=O)C[NH3+] 115064220 1169152148 /nfs/dbraw/zinc/15/21/48/1169152148.db2.gz OKDMXIXPGHNVSA-UHFFFAOYSA-N 2 0 145.206 -1.329 20 0 AAADRP [NH3+]CCNC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 891977141 673935106 /nfs/dbraw/zinc/93/51/06/673935106.db2.gz SFUZQJYWODKJPB-BQBZGAKWSA-N 2 0 184.243 -1.299 20 0 AAADRP C[NH2+]C[C@H](O)C[NH2+]C[C@H](C)O 142735131 1169209709 /nfs/dbraw/zinc/20/97/09/1169209709.db2.gz SOBFQECPLNRREO-BQBZGAKWSA-N 2 0 162.233 -1.463 20 0 AAADRP C[NH2+]C[C@H](O)C[NH2+]C[C@@H](C)O 142735338 1169210406 /nfs/dbraw/zinc/21/04/06/1169210406.db2.gz SOBFQECPLNRREO-RQJHMYQMSA-N 2 0 162.233 -1.463 20 0 AAADRP C[NH2+]C[C@@H](O)C[NH2+]C[C@@H](C)O 142734913 1169210851 /nfs/dbraw/zinc/21/08/51/1169210851.db2.gz SOBFQECPLNRREO-RNFRBKRXSA-N 2 0 162.233 -1.463 20 0 AAADRP C[NH2+]C[C@@H](O)C[NH2+]C[C@H](C)O 142734697 1169211300 /nfs/dbraw/zinc/21/13/00/1169211300.db2.gz SOBFQECPLNRREO-NKWVEPMBSA-N 2 0 162.233 -1.463 20 0 AAADRP C[C@@H](CC[NH3+])NC(=O)C[NH3+] 146048630 1169227715 /nfs/dbraw/zinc/22/77/15/1169227715.db2.gz RBTOOYHBZSODBM-YFKPBYRVSA-N 2 0 145.206 -1.201 20 0 AAADRP CNC(=O)CC[N@H+](C)C[C@H](O)C[NH3+] 145737248 1169227903 /nfs/dbraw/zinc/22/79/03/1169227903.db2.gz KPZZDQXYKRNOOJ-SSDOTTSWSA-N 2 0 189.259 -1.626 20 0 AAADRP CNC(=O)CC[N@H+](C)C[C@@H](O)C[NH3+] 145737099 1169228465 /nfs/dbraw/zinc/22/84/65/1169228465.db2.gz KPZZDQXYKRNOOJ-ZETCQYMHSA-N 2 0 189.259 -1.626 20 0 AAADRP C[C@H](CC[NH3+])NC(=O)C[NH3+] 146048818 1169228788 /nfs/dbraw/zinc/22/87/88/1169228788.db2.gz RBTOOYHBZSODBM-RXMQYKEDSA-N 2 0 145.206 -1.201 20 0 AAADRP C[C@@H]1C[N@H+](CCO)CCN1CC[NH3+] 148113270 1169240859 /nfs/dbraw/zinc/24/08/59/1169240859.db2.gz NYPGCGGMNGBERS-SECBINFHSA-N 2 0 187.287 -1.057 20 0 AAADRP C[C@H]1C[N@H+](CCO)CCN1CC[NH3+] 148113457 1169241737 /nfs/dbraw/zinc/24/17/37/1169241737.db2.gz NYPGCGGMNGBERS-VIFPVBQESA-N 2 0 187.287 -1.057 20 0 AAADRP [NH3+][C@@H]1CCN(CCN2CC[NH2+]CC2)C1 165686225 1169276003 /nfs/dbraw/zinc/27/60/03/1169276003.db2.gz KOJPEJUNQKQEKR-SNVBAGLBSA-N 2 0 198.314 -1.075 20 0 AAADRP C[NH2+][C@@H]1CCN(C(=O)C[NH3+])C1 201221104 1169303853 /nfs/dbraw/zinc/30/38/53/1169303853.db2.gz MACFYPDZDQRPHR-ZCFIWIBFSA-N 2 0 157.217 -1.235 20 0 AAADRP CC[C@H](O)C[NH2+]C[C@@H](O)C[NH2+]C 201204632 1169303990 /nfs/dbraw/zinc/30/39/90/1169303990.db2.gz WEDWELARCKZXGE-YUMQZZPRSA-N 2 0 176.260 -1.073 20 0 AAADRP C[NH2+]CCNC(=O)CC[NH3+] 201269582 1169304208 /nfs/dbraw/zinc/30/42/08/1169304208.db2.gz BMRCIFLUUGUDBL-UHFFFAOYSA-N 2 0 145.206 -1.329 20 0 AAADRP C[NH2+][C@H]1CCN(C(=O)C[NH3+])C1 201221140 1169304344 /nfs/dbraw/zinc/30/43/44/1169304344.db2.gz MACFYPDZDQRPHR-LURJTMIESA-N 2 0 157.217 -1.235 20 0 AAADRP CC[C@@H](O)C[NH2+]C[C@@H](O)C[NH2+]C 201204664 1169304444 /nfs/dbraw/zinc/30/44/44/1169304444.db2.gz WEDWELARCKZXGE-SFYZADRCSA-N 2 0 176.260 -1.073 20 0 AAADRP CC[C@H](O)C[NH2+]C[C@H](O)C[NH2+]C 201204563 1169304475 /nfs/dbraw/zinc/30/44/75/1169304475.db2.gz WEDWELARCKZXGE-JGVFFNPUSA-N 2 0 176.260 -1.073 20 0 AAADRP CC[C@@H](O)C[NH2+]C[C@H](O)C[NH2+]C 201204603 1169304623 /nfs/dbraw/zinc/30/46/23/1169304623.db2.gz WEDWELARCKZXGE-HTQZYQBOSA-N 2 0 176.260 -1.073 20 0 AAADRP C[NH2+]CC(=O)N1CC[C@@H]([NH3+])C1 202076813 1169305647 /nfs/dbraw/zinc/30/56/47/1169305647.db2.gz FNZPLHZORXEKQW-ZCFIWIBFSA-N 2 0 157.217 -1.235 20 0 AAADRP C[NH2+]CC(=O)N1CC[C@H]([NH3+])C1 202077052 1169306719 /nfs/dbraw/zinc/30/67/19/1169306719.db2.gz FNZPLHZORXEKQW-LURJTMIESA-N 2 0 157.217 -1.235 20 0 AAADRP C[NH2+]CCNC(=O)[C@H](C)[NH3+] 221165236 1169351507 /nfs/dbraw/zinc/35/15/07/1169351507.db2.gz WXKIKUVHZYODNX-YFKPBYRVSA-N 2 0 145.206 -1.331 20 0 AAADRP [NH3+]CCNCC(=O)N1CC[NH2+]CC1 224621403 1169364150 /nfs/dbraw/zinc/36/41/50/1169364150.db2.gz GRXBAQNMHLYESU-UHFFFAOYSA-N 2 0 186.259 -2.034 20 0 AAADRP C[NH+](C)C[C@@](C)(O)CNC(N)=[NH2+] 228630891 1169382899 /nfs/dbraw/zinc/38/28/99/1169382899.db2.gz KWPLJIIUQXFAFD-ZETCQYMHSA-N 2 0 174.248 -1.218 20 0 AAADRP C[NH+](C)C[C@](C)(O)CNC(N)=[NH2+] 228630899 1169383724 /nfs/dbraw/zinc/38/37/24/1169383724.db2.gz KWPLJIIUQXFAFD-SSDOTTSWSA-N 2 0 174.248 -1.218 20 0 AAADRP CO[C@@H](C[NH3+])CC(=O)NCC[NH3+] 232118403 1169405254 /nfs/dbraw/zinc/40/52/54/1169405254.db2.gz NGEKABZUCXPWSV-ZCFIWIBFSA-N 2 0 175.232 -1.575 20 0 AAADRP CO[C@H](C[NH3+])CC(=O)NCC[NH3+] 232118405 1169406637 /nfs/dbraw/zinc/40/66/37/1169406637.db2.gz NGEKABZUCXPWSV-LURJTMIESA-N 2 0 175.232 -1.575 20 0 AAADRP CN(CCOCC[NH3+])CC(N)=O 234297803 1169416943 /nfs/dbraw/zinc/41/69/43/1169416943.db2.gz ZPYHZSGAWAPYQL-UHFFFAOYSA-N 2 0 175.232 -1.621 20 0 AAADRP [NH3+]CC(=O)NCC1=CC[NH2+]CC1 306254468 1169468786 /nfs/dbraw/zinc/46/87/86/1169468786.db2.gz ODYMHHJRKGJVDD-UHFFFAOYSA-N 2 0 169.228 -1.019 20 0 AAADRP [NH3+][C@H]1CCN(C(=O)[C@@H]2C[NH2+]CCO2)C1 306419399 1169478607 /nfs/dbraw/zinc/47/86/07/1169478607.db2.gz XGJCDRJWEYOXER-YUMQZZPRSA-N 2 0 199.254 -1.466 20 0 AAADRP [NH3+][C@@H]1CCN(C(=O)[C@@H]2C[NH2+]CCO2)C1 306419398 1169478877 /nfs/dbraw/zinc/47/88/77/1169478877.db2.gz XGJCDRJWEYOXER-SFYZADRCSA-N 2 0 199.254 -1.466 20 0 AAADRP [NH3+]CC(=O)N1CCO[C@@H](C[NH3+])C1 306679079 1169486408 /nfs/dbraw/zinc/48/64/08/1169486408.db2.gz BCGCHLDKPZCSRB-LURJTMIESA-N 2 0 173.216 -1.869 20 0 AAADRP [NH3+]C[C@H]1CN(C(=O)[C@H]2CC[NH2+]2)CCO1 306674434 1169486919 /nfs/dbraw/zinc/48/69/19/1169486919.db2.gz QHFGUXMAOOYWIS-JGVFFNPUSA-N 2 0 199.254 -1.466 20 0 AAADRP [NH3+]CC(=O)N1CCO[C@H](C[NH3+])C1 306679080 1169487343 /nfs/dbraw/zinc/48/73/43/1169487343.db2.gz BCGCHLDKPZCSRB-ZCFIWIBFSA-N 2 0 173.216 -1.869 20 0 AAADRP [NH3+]C[C@@H]1CN(C(=O)[C@H]2CC[NH2+]2)CCO1 306674433 1169487402 /nfs/dbraw/zinc/48/74/02/1169487402.db2.gz QHFGUXMAOOYWIS-HTQZYQBOSA-N 2 0 199.254 -1.466 20 0 AAADRP O[C@@H]1C[NH2+]C[C@@H]1C[NH2+][C@H]1CCOC1 307496020 1169524410 /nfs/dbraw/zinc/52/44/10/1169524410.db2.gz FUCBJETUYNEJLY-HRDYMLBCSA-N 2 0 186.255 -1.055 20 0 AAADRP O[C@@H]1C[NH2+]C[C@@H]1C[NH2+][C@@H]1CCOC1 307496021 1169524540 /nfs/dbraw/zinc/52/45/40/1169524540.db2.gz FUCBJETUYNEJLY-IWSPIJDZSA-N 2 0 186.255 -1.055 20 0 AAADRP C[NH2+]CCNC(=O)C1([NH3+])CC1 307574635 1169528888 /nfs/dbraw/zinc/52/88/88/1169528888.db2.gz CULNRTYWOMQKSC-UHFFFAOYSA-N 2 0 157.217 -1.187 20 0 AAADRP C[C@H]([NH3+])C(=O)N1CCO[C@H](C[NH3+])C1 307578680 1169529036 /nfs/dbraw/zinc/52/90/36/1169529036.db2.gz ODVVJKAHXQQZQY-NKWVEPMBSA-N 2 0 187.243 -1.480 20 0 AAADRP C[C@H]([NH3+])C(=O)N1CCO[C@@H](C[NH3+])C1 307578679 1169529124 /nfs/dbraw/zinc/52/91/24/1169529124.db2.gz ODVVJKAHXQQZQY-BQBZGAKWSA-N 2 0 187.243 -1.480 20 0 AAADRP [NH3+]CC(=O)NC[C@@H]([NH3+])C1CC1 307609057 1169530679 /nfs/dbraw/zinc/53/06/79/1169530679.db2.gz HKKBSRIDGURGLX-ZCFIWIBFSA-N 2 0 157.217 -1.201 20 0 AAADRP [NH3+]CC(=O)NC[C@H]([NH3+])C1CC1 307609056 1169531127 /nfs/dbraw/zinc/53/11/27/1169531127.db2.gz HKKBSRIDGURGLX-LURJTMIESA-N 2 0 157.217 -1.201 20 0 AAADRP C[NH2+]CC(=O)N[C@@H](C)C[NH3+] 307590049 1169531333 /nfs/dbraw/zinc/53/13/33/1169531333.db2.gz BJTFZKZEGNTIHC-YFKPBYRVSA-N 2 0 145.206 -1.331 20 0 AAADRP C[C@H]([NH3+])[C@H]1CN(C(=O)C[NH3+])CCO1 307747954 1169541092 /nfs/dbraw/zinc/54/10/92/1169541092.db2.gz ARMNNEDKUGRUGK-NKWVEPMBSA-N 2 0 187.243 -1.480 20 0 AAADRP C[C@@H]([NH3+])[C@@H]1CN(C(=O)C[NH3+])CCO1 307747956 1169541882 /nfs/dbraw/zinc/54/18/82/1169541882.db2.gz ARMNNEDKUGRUGK-RQJHMYQMSA-N 2 0 187.243 -1.480 20 0 AAADRP C[NH2+]CC(=O)NC[C@H](C)[NH3+] 307748523 1169542072 /nfs/dbraw/zinc/54/20/72/1169542072.db2.gz CAUNVTLAFJTCSZ-YFKPBYRVSA-N 2 0 145.206 -1.331 20 0 AAADRP C[C@@H]([NH3+])[C@H]1CN(C(=O)C[NH3+])CCO1 307747955 1169542093 /nfs/dbraw/zinc/54/20/93/1169542093.db2.gz ARMNNEDKUGRUGK-RNFRBKRXSA-N 2 0 187.243 -1.480 20 0 AAADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)C[NH3+])CCO1 307747953 1169542171 /nfs/dbraw/zinc/54/21/71/1169542171.db2.gz ARMNNEDKUGRUGK-BQBZGAKWSA-N 2 0 187.243 -1.480 20 0 AAADRP C[NH2+]CC(=O)NC[C@@H](C)[NH3+] 307748522 1169543505 /nfs/dbraw/zinc/54/35/05/1169543505.db2.gz CAUNVTLAFJTCSZ-RXMQYKEDSA-N 2 0 145.206 -1.331 20 0 AAADRP CO[C@@H](C[NH3+])C(=O)N1CC[C@@H]([NH3+])C1 308598348 1169551493 /nfs/dbraw/zinc/55/14/93/1169551493.db2.gz ADSUTVWVHIAYCG-RQJHMYQMSA-N 2 0 187.243 -1.480 20 0 AAADRP Cn1cc(CNC(C[NH3+])C[NH3+])cn1 308999462 1169553163 /nfs/dbraw/zinc/55/31/63/1169553163.db2.gz NOQGUSCLKNGGMX-UHFFFAOYSA-N 2 0 183.259 -1.204 20 0 AAADRP COC[C@@H](O)C[N@H+](C)C[C@H](O)C[NH3+] 379357985 1169575334 /nfs/dbraw/zinc/57/53/34/1169575334.db2.gz UAZUPCSGUASHAQ-SFYZADRCSA-N 2 0 192.259 -1.755 20 0 AAADRP COC[C@@H](O)C[N@H+](C)C[C@@H](O)C[NH3+] 379357986 1169576099 /nfs/dbraw/zinc/57/60/99/1169576099.db2.gz UAZUPCSGUASHAQ-YUMQZZPRSA-N 2 0 192.259 -1.755 20 0 AAADRP COC[C@H](O)C[N@H+](C)C[C@@H](O)C[NH3+] 379357984 1169576831 /nfs/dbraw/zinc/57/68/31/1169576831.db2.gz UAZUPCSGUASHAQ-JGVFFNPUSA-N 2 0 192.259 -1.755 20 0 AAADRP COC[C@H](O)C[N@H+](C)C[C@H](O)C[NH3+] 379357983 1169577245 /nfs/dbraw/zinc/57/72/45/1169577245.db2.gz UAZUPCSGUASHAQ-HTQZYQBOSA-N 2 0 192.259 -1.755 20 0 AAADRP COC[C@H]([NH3+])C(=O)N1CC[C@@H]([NH3+])C1 379625562 1169592093 /nfs/dbraw/zinc/59/20/93/1169592093.db2.gz JTCXVZSREVNRAH-RQJHMYQMSA-N 2 0 187.243 -1.480 20 0 AAADRP C[NH2+]CC(=O)N1CCO[C@H](C[NH3+])C1 379651300 1169592112 /nfs/dbraw/zinc/59/21/12/1169592112.db2.gz FMGZCHOPJKIEIK-SSDOTTSWSA-N 2 0 187.243 -1.608 20 0 AAADRP CC(C)([NH3+])CNC(=O)COCC[NH3+] 379618004 1169592027 /nfs/dbraw/zinc/59/20/27/1169592027.db2.gz ARQKPFLCKCDGSL-UHFFFAOYSA-N 2 0 189.259 -1.185 20 0 AAADRP COC[C@H]([NH3+])C(=O)N1CC[C@H]([NH3+])C1 379625550 1169593187 /nfs/dbraw/zinc/59/31/87/1169593187.db2.gz JTCXVZSREVNRAH-BQBZGAKWSA-N 2 0 187.243 -1.480 20 0 AAADRP C[NH2+]CC(=O)N1CCO[C@@H](C[NH3+])C1 379651301 1169594027 /nfs/dbraw/zinc/59/40/27/1169594027.db2.gz FMGZCHOPJKIEIK-ZETCQYMHSA-N 2 0 187.243 -1.608 20 0 AAADRP C[NH2+]C[C@@H](C)CNC(=O)C[NH3+] 381921193 1169597387 /nfs/dbraw/zinc/59/73/87/1169597387.db2.gz LASTWHPXHKCEBW-ZCFIWIBFSA-N 2 0 159.233 -1.083 20 0 AAADRP C[NH2+]C[C@H](C)CNC(=O)C[NH3+] 381921192 1169597501 /nfs/dbraw/zinc/59/75/01/1169597501.db2.gz LASTWHPXHKCEBW-LURJTMIESA-N 2 0 159.233 -1.083 20 0 AAADRP C[NH2+]CCC(=O)NCC1C[NH2+]C1 388223837 1169622821 /nfs/dbraw/zinc/62/28/21/1169622821.db2.gz JLYBCSQCXAPREV-UHFFFAOYSA-N 2 0 171.244 -1.069 20 0 AAADRP COC[C@H]([NH3+])C(=O)NC(C)(C)C[NH3+] 389244549 1169635950 /nfs/dbraw/zinc/63/59/50/1169635950.db2.gz BKDICTUEJMCDEW-LURJTMIESA-N 2 0 189.259 -1.186 20 0 AAADRP CO[C@H](C[NH3+])CC(=O)N[C@H](C)C[NH3+] 389237342 1169635996 /nfs/dbraw/zinc/63/59/96/1169635996.db2.gz WRDXVHUYRNDAFX-RQJHMYQMSA-N 2 0 189.259 -1.186 20 0 AAADRP CO[C@@H](C[NH3+])C(=O)NC[C@H](C)C[NH3+] 389227258 1169636788 /nfs/dbraw/zinc/63/67/88/1169636788.db2.gz RCINHJMXSJMDQR-RQJHMYQMSA-N 2 0 189.259 -1.329 20 0 AAADRP CO[C@@H](C[NH3+])CC(=O)N[C@H](C)C[NH3+] 389237341 1169636939 /nfs/dbraw/zinc/63/69/39/1169636939.db2.gz WRDXVHUYRNDAFX-RNFRBKRXSA-N 2 0 189.259 -1.186 20 0 AAADRP CO[C@@H](C[NH3+])C(=O)NC[C@@H](C)C[NH3+] 389227255 1169637241 /nfs/dbraw/zinc/63/72/41/1169637241.db2.gz RCINHJMXSJMDQR-BQBZGAKWSA-N 2 0 189.259 -1.329 20 0 AAADRP CC(C)(C[NH3+])NC(=O)COCC[NH3+] 389221038 1169637395 /nfs/dbraw/zinc/63/73/95/1169637395.db2.gz NFZNGRNQMFVJNR-UHFFFAOYSA-N 2 0 189.259 -1.185 20 0 AAADRP COC[C@H]([NH3+])C(=O)NCC[C@H](C)[NH3+] 389357493 1169638398 /nfs/dbraw/zinc/63/83/98/1169638398.db2.gz QXNUNMBTTGWDOJ-BQBZGAKWSA-N 2 0 189.259 -1.186 20 0 AAADRP CO[C@@H](C[NH3+])CC(=O)NC[C@H](C)[NH3+] 389299754 1169638746 /nfs/dbraw/zinc/63/87/46/1169638746.db2.gz INHPDWGWMAXQJE-NKWVEPMBSA-N 2 0 189.259 -1.186 20 0 AAADRP CO[C@@H](C[NH3+])C(=O)N[C@H]1[C@@H]2C[NH2+]C[C@@H]21 389619946 1169638823 /nfs/dbraw/zinc/63/88/23/1169638823.db2.gz IGIUHIUANBKSIB-FKSUSPILSA-N 2 0 199.254 -1.706 20 0 AAADRP CO[C@@H](C[NH3+])C(=O)N[C@@H](C)CC[NH3+] 389282930 1169639272 /nfs/dbraw/zinc/63/92/72/1169639272.db2.gz SXKHILDFIIZFLN-BQBZGAKWSA-N 2 0 189.259 -1.186 20 0 AAADRP CO[C@H](C[NH3+])CC(=O)NC[C@H](C)[NH3+] 389299752 1169639893 /nfs/dbraw/zinc/63/98/93/1169639893.db2.gz INHPDWGWMAXQJE-BQBZGAKWSA-N 2 0 189.259 -1.186 20 0 AAADRP COC[C@H]([NH3+])C(=O)N[C@@H]1CC[NH2+]C1 389309318 1169639692 /nfs/dbraw/zinc/63/96/92/1169639692.db2.gz OMBBHTKXAFJZLL-RQJHMYQMSA-N 2 0 187.243 -1.562 20 0 AAADRP CO[C@@H](C[NH3+])CC(=O)NC[C@@H](C)[NH3+] 389299755 1169639924 /nfs/dbraw/zinc/63/99/24/1169639924.db2.gz INHPDWGWMAXQJE-RNFRBKRXSA-N 2 0 189.259 -1.186 20 0 AAADRP CO[C@@H](C[NH3+])C(=O)N[C@H](C)CC[NH3+] 389282933 1169639957 /nfs/dbraw/zinc/63/99/57/1169639957.db2.gz SXKHILDFIIZFLN-RQJHMYQMSA-N 2 0 189.259 -1.186 20 0 AAADRP COC[C@H]([NH3+])C(=O)N[C@H]1CC[NH2+]C1 389309311 1169640123 /nfs/dbraw/zinc/64/01/23/1169640123.db2.gz OMBBHTKXAFJZLL-BQBZGAKWSA-N 2 0 187.243 -1.562 20 0 AAADRP CO[C@H](C[NH3+])CC(=O)NC[C@@H](C)[NH3+] 389299756 1169640356 /nfs/dbraw/zinc/64/03/56/1169640356.db2.gz INHPDWGWMAXQJE-RQJHMYQMSA-N 2 0 189.259 -1.186 20 0 AAADRP C[NH+](C)CC(=O)NC[C@H](O)C[NH3+] 394452866 1169649189 /nfs/dbraw/zinc/64/91/89/1169649189.db2.gz CEILACLFWXIFBK-ZCFIWIBFSA-N 2 0 175.232 -2.016 20 0 AAADRP C[NH+](C)CC(=O)NC[C@@H](O)C[NH3+] 394452864 1169649563 /nfs/dbraw/zinc/64/95/63/1169649563.db2.gz CEILACLFWXIFBK-LURJTMIESA-N 2 0 175.232 -2.016 20 0 AAADRP CN(C[C@@H](O)C[NH3+])C[C@@H]1CC[NH2+]C1 1261492681 1170115492 /nfs/dbraw/zinc/11/54/92/1170115492.db2.gz PZFBMVBEYUUWOF-BDAKNGLRSA-N 2 0 187.287 -1.153 20 0 AAADRP CN(C[C@@H](O)C[NH3+])C[C@H]1CC[NH2+]C1 1261492683 1170114402 /nfs/dbraw/zinc/11/44/02/1170114402.db2.gz PZFBMVBEYUUWOF-IUCAKERBSA-N 2 0 187.287 -1.153 20 0 AAADRP [NH3+][C@@H]1C[C@@H]1C(=O)NCC1C[NH2+]C1 1261456184 1170114534 /nfs/dbraw/zinc/11/45/34/1170114534.db2.gz OVJBVWCPKQDCTA-NKWVEPMBSA-N 2 0 169.228 -1.331 20 0 AAADRP [NH3+]CCC(=O)NC[C@H]1C[NH2+]CCO1 1261500891 1170114727 /nfs/dbraw/zinc/11/47/27/1170114727.db2.gz JMDCUOIFOXRRSM-SSDOTTSWSA-N 2 0 187.243 -1.560 20 0 AAADRP C[C@H]([NH3+])C(=O)NC[C@H]1C[NH2+]CCO1 1261495318 1170114886 /nfs/dbraw/zinc/11/48/86/1170114886.db2.gz AUDVKUSEARIPMD-NKWVEPMBSA-N 2 0 187.243 -1.562 20 0 AAADRP C[NH2+]CC(=O)NC[C@@H]1C[NH2+]CCO1 1261475077 1170115082 /nfs/dbraw/zinc/11/50/82/1170115082.db2.gz OPKDLMKBGIDOLQ-ZETCQYMHSA-N 2 0 187.243 -1.690 20 0 AAADRP [NH3+]CCN1CC[C@@H](N2CC[NH2+]CC2)C1 1261492658 1170115114 /nfs/dbraw/zinc/11/51/14/1170115114.db2.gz PGVZAFAPZLTGOS-SNVBAGLBSA-N 2 0 198.314 -1.075 20 0 AAADRP C[C@H]([NH3+])C(=O)NC[C@@H]1C[NH2+]CCO1 1261495317 1170115247 /nfs/dbraw/zinc/11/52/47/1170115247.db2.gz AUDVKUSEARIPMD-BQBZGAKWSA-N 2 0 187.243 -1.562 20 0 AAADRP C[NH2+]CC(=O)NC[C@H]1C[NH2+]CCO1 1261475076 1170115338 /nfs/dbraw/zinc/11/53/38/1170115338.db2.gz OPKDLMKBGIDOLQ-SSDOTTSWSA-N 2 0 187.243 -1.690 20 0 AAADRP CN(C[C@H]1CC[NH2+]C1)C[C@H](O)C[NH3+] 1261492682 1170115482 /nfs/dbraw/zinc/11/54/82/1170115482.db2.gz PZFBMVBEYUUWOF-DTWKUNHWSA-N 2 0 187.287 -1.153 20 0 AAADRP CN(C[C@H](O)C[NH3+])C[C@@H]1CC[NH2+]C1 1261492684 1170115588 /nfs/dbraw/zinc/11/55/88/1170115588.db2.gz PZFBMVBEYUUWOF-RKDXNWHRSA-N 2 0 187.287 -1.153 20 0 AAADRP [NH3+]CCC(=O)NC[C@@H]1C[NH2+]CCO1 1261500892 1170115609 /nfs/dbraw/zinc/11/56/09/1170115609.db2.gz JMDCUOIFOXRRSM-ZETCQYMHSA-N 2 0 187.243 -1.560 20 0 AAADRP [NH3+]CCN1CC[C@H](N2CC[NH2+]CC2)C1 1261492657 1170115810 /nfs/dbraw/zinc/11/58/10/1170115810.db2.gz PGVZAFAPZLTGOS-JTQLQIEISA-N 2 0 198.314 -1.075 20 0 AAADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C[NH3+] 1262009649 1170122216 /nfs/dbraw/zinc/12/22/16/1170122216.db2.gz DUELAJQVXTWAHJ-PHDIDXHHSA-N 2 0 157.217 -1.107 20 0 AAADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C[NH3+] 1262009650 1170122352 /nfs/dbraw/zinc/12/23/52/1170122352.db2.gz DUELAJQVXTWAHJ-RITPCOANSA-N 2 0 157.217 -1.107 20 0 AAADRP C[C@H]([NH3+])C(=O)NC[C@H]1COCC[NH2+]1 1262009375 1170122370 /nfs/dbraw/zinc/12/23/70/1170122370.db2.gz UWXFPHOPLGQBJG-BQBZGAKWSA-N 2 0 187.243 -1.562 20 0 AAADRP CO[C@@H](C[NH3+])C(=O)N(C)CC[NH3+] 1262035422 1170122496 /nfs/dbraw/zinc/12/24/96/1170122496.db2.gz JJQLZRYYXNQSDJ-LURJTMIESA-N 2 0 175.232 -1.623 20 0 AAADRP C[C@H]1C[C@@H]([NH3+])CN1C(=O)C[NH3+] 1262009648 1170123284 /nfs/dbraw/zinc/12/32/84/1170123284.db2.gz DUELAJQVXTWAHJ-NTSWFWBYSA-N 2 0 157.217 -1.107 20 0 AAADRP C[C@H]([NH3+])C(=O)NC[C@@H]1COCC[NH2+]1 1262009376 1170123670 /nfs/dbraw/zinc/12/36/70/1170123670.db2.gz UWXFPHOPLGQBJG-NKWVEPMBSA-N 2 0 187.243 -1.562 20 0 AAADRP C[C@H]1C[C@H]([NH3+])CN1C(=O)C[NH3+] 1262009651 1170123691 /nfs/dbraw/zinc/12/36/91/1170123691.db2.gz DUELAJQVXTWAHJ-WDSKDSINSA-N 2 0 157.217 -1.107 20 0 AAADRP [NH3+][C@@H]1C[C@H](O)[C@@H](N2C[C@@H]3C[C@H]2C[NH2+]3)C1 1262195232 1170128333 /nfs/dbraw/zinc/12/83/33/1170128333.db2.gz ULFVHUSKEPJLSU-WYCDGMCDSA-N 2 0 197.282 -1.117 20 0 AAADRP CC[NH2+]CCNC(=O)CNCC[NH3+] 1262554033 1170132571 /nfs/dbraw/zinc/13/25/71/1170132571.db2.gz QERZRUCAYNZICK-UHFFFAOYSA-N 2 0 188.275 -1.740 20 0 AAADRP C[C@@H]1CN(C(=O)NCC[NH3+])C[C@H]1[NH3+] 1262583806 1170133070 /nfs/dbraw/zinc/13/30/70/1170133070.db2.gz JIJZXVPGFRBEPS-RNFRBKRXSA-N 2 0 186.259 -1.066 20 0 AAADRP C[NH2+]CCNC(=O)NCC1([NH3+])CC1 1262585171 1170133646 /nfs/dbraw/zinc/13/36/46/1170133646.db2.gz VDRXDXPACOJPFC-UHFFFAOYSA-N 2 0 186.259 -1.004 20 0 AAADRP CN(CC[NH3+])C(=O)C[C@@H](O)C[NH3+] 1263128288 1170138441 /nfs/dbraw/zinc/13/84/41/1170138441.db2.gz IODOFRIHCYNUAP-ZCFIWIBFSA-N 2 0 175.232 -1.887 20 0 AAADRP CN(CC[NH3+])C(=O)C[C@H](O)C[NH3+] 1263128287 1170139354 /nfs/dbraw/zinc/13/93/54/1170139354.db2.gz IODOFRIHCYNUAP-LURJTMIESA-N 2 0 175.232 -1.887 20 0 AAADRP CCC[NH2+]CCNC(=O)[C@H]([NH3+])CO 1263103593 1170139361 /nfs/dbraw/zinc/13/93/61/1170139361.db2.gz FDWOXXQBEXDDKW-SSDOTTSWSA-N 2 0 189.259 -1.578 20 0 AAADRP C[C@@H]([NH3+])C(=O)N1CC[NH2+]C[C@@H]1CO 1263180320 1170140157 /nfs/dbraw/zinc/14/01/57/1170140157.db2.gz JGSSKCWQIGVVLV-RNFRBKRXSA-N 2 0 187.243 -1.874 20 0 AAADRP C[NH2+]CC(=O)N1CC[NH2+]C[C@H]1CO 1263180119 1170140173 /nfs/dbraw/zinc/14/01/73/1170140173.db2.gz DWCCWLLHDRMUAW-ZETCQYMHSA-N 2 0 187.243 -2.002 20 0 AAADRP CCN(CC[NH3+])C(=O)CNCC[NH3+] 1263165634 1170140202 /nfs/dbraw/zinc/14/02/02/1170140202.db2.gz JCHOLXNNYYHILZ-UHFFFAOYSA-N 2 0 188.275 -1.658 20 0 AAADRP [NH3+]C[C@@H](O)CNC(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 1263158584 1170140240 /nfs/dbraw/zinc/14/02/40/1170140240.db2.gz GISPIFONYHQCEB-XUTVFYLZSA-N 2 0 199.254 -1.827 20 0 AAADRP C[C@@H]([NH3+])C(=O)N1CC[NH2+]C[C@H]1CO 1263180321 1170140265 /nfs/dbraw/zinc/14/02/65/1170140265.db2.gz JGSSKCWQIGVVLV-RQJHMYQMSA-N 2 0 187.243 -1.874 20 0 AAADRP CC[NH2+]CC(=O)NCC1(O)C[NH2+]C1 1263153722 1170140365 /nfs/dbraw/zinc/14/03/65/1170140365.db2.gz VAAFWTPEEDQXDG-UHFFFAOYSA-N 2 0 187.243 -1.954 20 0 AAADRP [NH3+]CCC(=O)N1CC[NH2+]C[C@@H]1CO 1263180105 1170140474 /nfs/dbraw/zinc/14/04/74/1170140474.db2.gz DREZDRRFLXVCON-SSDOTTSWSA-N 2 0 187.243 -1.872 20 0 AAADRP [NH3+]CCC(=O)N1CC[NH2+]C[C@H]1CO 1263180106 1170140484 /nfs/dbraw/zinc/14/04/84/1170140484.db2.gz DREZDRRFLXVCON-ZETCQYMHSA-N 2 0 187.243 -1.872 20 0 AAADRP [NH3+]CCNCC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 1263172186 1170140592 /nfs/dbraw/zinc/14/05/92/1170140592.db2.gz NAWYKPVSKSWGHZ-YUMQZZPRSA-N 2 0 198.270 -1.893 20 0 AAADRP [NH3+]C[C@H](O)CNC(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 1263158583 1170140748 /nfs/dbraw/zinc/14/07/48/1170140748.db2.gz GISPIFONYHQCEB-CWKFCGSDSA-N 2 0 199.254 -1.827 20 0 AAADRP [NH3+]CC(=O)NCC1([NH3+])CC1 1263234529 1170141023 /nfs/dbraw/zinc/14/10/23/1170141023.db2.gz ASGDEFLVPJYFIL-UHFFFAOYSA-N 2 0 143.190 -1.447 20 0 AAADRP CC1(C(=O)N[C@@H]2C[NH2+]C[C@@H]2O)C[NH2+]C1 1263162390 1170141340 /nfs/dbraw/zinc/14/13/40/1170141340.db2.gz HYOXGLDSWNSEFX-RQJHMYQMSA-N 2 0 199.254 -1.955 20 0 AAADRP C[NH2+]CC(=O)N1CC[NH2+]C[C@@H]1CO 1263180118 1170141612 /nfs/dbraw/zinc/14/16/12/1170141612.db2.gz DWCCWLLHDRMUAW-SSDOTTSWSA-N 2 0 187.243 -2.002 20 0 AAADRP C[C@@H]1CN(C(=O)C[NH3+])C[C@H]1[NH3+] 1263215686 1170141749 /nfs/dbraw/zinc/14/17/49/1170141749.db2.gz DOJASGUBBACCTG-PHDIDXHHSA-N 2 0 157.217 -1.249 20 0 AAADRP COC[C@H]([NH3+])C(=O)N[C@H]1C[C@H]([NH3+])C1 1263320054 1170142519 /nfs/dbraw/zinc/14/25/19/1170142519.db2.gz LCENGROIBKNJSK-ACZMJKKPSA-N 2 0 187.243 -1.434 20 0 AAADRP C[C@@H]([NH3+])C(=O)N[C@H]1C[C@H]([NH3+])C1 1263320976 1170143013 /nfs/dbraw/zinc/14/30/13/1170143013.db2.gz RHZVNDNWSSBMDN-HSUXUTPPSA-N 2 0 157.217 -1.061 20 0 AAADRP [NH3+]CCOCC(=O)N[C@H]1C[C@H]([NH3+])C1 1263320917 1170143404 /nfs/dbraw/zinc/14/34/04/1170143404.db2.gz PUCGBNCGXVBHML-LJGSYFOKSA-N 2 0 187.243 -1.432 20 0 AAADRP C[C@@H]([NH3+])Cn1nnnc1C[NH3+] 1326018804 1170234291 /nfs/dbraw/zinc/23/42/91/1170234291.db2.gz QGQNHEFJOPNXAX-SCSAIBSYSA-N 2 0 156.193 -1.521 20 0 AAADRP C[C@H]([NH3+])Cn1nnnc1C[NH3+] 1326018791 1170235411 /nfs/dbraw/zinc/23/54/11/1170235411.db2.gz QGQNHEFJOPNXAX-BYPYZUCNSA-N 2 0 156.193 -1.521 20 0 AAADRP O=C(NC[C@H]1C[NH2+]CCO1)[C@H]1CC[NH2+]1 1326001347 1170236440 /nfs/dbraw/zinc/23/64/40/1170236440.db2.gz IPAOLFPOEVIHIQ-HTQZYQBOSA-N 2 0 199.254 -1.547 20 0 AAADRP O=C(NC[C@@H]1C[NH2+]CCO1)[C@H]1CC[NH2+]1 1326001348 1170236872 /nfs/dbraw/zinc/23/68/72/1170236872.db2.gz IPAOLFPOEVIHIQ-JGVFFNPUSA-N 2 0 199.254 -1.547 20 0 AAADRP C[C@@H]([NH3+])C(=O)NC[C@H]1C[NH2+]CCO1 1326136988 1170237458 /nfs/dbraw/zinc/23/74/58/1170237458.db2.gz AUDVKUSEARIPMD-RNFRBKRXSA-N 2 0 187.243 -1.562 20 0 AAADRP [NH3+]CCN1CCC(O)(C[NH3+])CC1 1326311466 1170238229 /nfs/dbraw/zinc/23/82/29/1170238229.db2.gz ZFBXEXYPYQNYBC-UHFFFAOYSA-N 2 0 173.260 -1.269 20 0 AAADRP C[C@@H]([NH3+])C(=O)NC[C@@H]1C[NH2+]CCO1 1326136994 1170238841 /nfs/dbraw/zinc/23/88/41/1170238841.db2.gz AUDVKUSEARIPMD-RQJHMYQMSA-N 2 0 187.243 -1.562 20 0 AAADRP C[NH2+]C[C@H](O)C[NH2+][C@@H](C)[C@H](C)O 1326201229 1170239021 /nfs/dbraw/zinc/23/90/21/1170239021.db2.gz VADNZQWCWMPKDA-FXQIFTODSA-N 2 0 176.260 -1.074 20 0 AAADRP Cn1cncc1Cn1nnnc1C[NH3+] 1326329328 1170239094 /nfs/dbraw/zinc/23/90/94/1170239094.db2.gz HSGAMTVACOFDSC-UHFFFAOYSA-N 2 0 193.214 -1.086 20 0 AAADRP C[NH2+]C[C@H](O)C[NH2+][C@H](C)[C@@H](C)O 1326201230 1170239547 /nfs/dbraw/zinc/23/95/47/1170239547.db2.gz VADNZQWCWMPKDA-PRJMDXOYSA-N 2 0 176.260 -1.074 20 0 AAADRP C[NH2+]CCCn1nnnc1C[NH3+] 1326328403 1170239715 /nfs/dbraw/zinc/23/97/15/1170239715.db2.gz AOJGPROAYLGKIX-UHFFFAOYSA-N 2 0 170.220 -1.259 20 0 AAADRP C[NH2+]C[C@H](O)C[NH2+][C@H](C)[C@H](C)O 1326201209 1170239756 /nfs/dbraw/zinc/23/97/56/1170239756.db2.gz VADNZQWCWMPKDA-CSMHCCOUSA-N 2 0 176.260 -1.074 20 0 AAADRP C[NH2+]C[C@H](O)C[NH2+][C@@H](C)[C@@H](C)O 1326201231 1170240063 /nfs/dbraw/zinc/24/00/63/1170240063.db2.gz VADNZQWCWMPKDA-RNJXMRFFSA-N 2 0 176.260 -1.074 20 0 AAADRP CC[C@H]([NH3+])CNC(=O)C[NH3+] 1327120228 1170246296 /nfs/dbraw/zinc/24/62/96/1170246296.db2.gz CUUDYKVCYKVMTB-YFKPBYRVSA-N 2 0 145.206 -1.201 20 0 AAADRP [NH3+]C1(C(=O)NC[C@@H]2C[NH2+]CCO2)CC1 1327106820 1170246827 /nfs/dbraw/zinc/24/68/27/1170246827.db2.gz HXQKFOVPXNZBGZ-ZETCQYMHSA-N 2 0 199.254 -1.418 20 0 AAADRP CC[C@@H]([NH3+])CNC(=O)C[NH3+] 1327120172 1170247372 /nfs/dbraw/zinc/24/73/72/1170247372.db2.gz CUUDYKVCYKVMTB-RXMQYKEDSA-N 2 0 145.206 -1.201 20 0 AAADRP [NH3+]C1(C(=O)NC[C@H]2C[NH2+]CCO2)CC1 1327106818 1170248566 /nfs/dbraw/zinc/24/85/66/1170248566.db2.gz HXQKFOVPXNZBGZ-SSDOTTSWSA-N 2 0 199.254 -1.418 20 0 AAADRP C[C@]1(NC(=O)C[NH3+])CC[NH2+]C1 1327592356 1170252297 /nfs/dbraw/zinc/25/22/97/1170252297.db2.gz JZZDMRQPXPNLCB-ZETCQYMHSA-N 2 0 157.217 -1.187 20 0 AAADRP C[C@@]1(NC(=O)C[NH3+])CC[NH2+]C1 1327592341 1170253811 /nfs/dbraw/zinc/25/38/11/1170253811.db2.gz JZZDMRQPXPNLCB-SSDOTTSWSA-N 2 0 157.217 -1.187 20 0 AAADRP [NH3+]C1CCN(C(=O)C2(O)C[NH2+]C2)CC1 1327915741 1170257494 /nfs/dbraw/zinc/25/74/94/1170257494.db2.gz DHTZQMKBKMKOLI-UHFFFAOYSA-N 2 0 199.254 -1.730 20 0 AAADRP COC(=O)C[C@H]([NH3+])C(=O)NCC[NH3+] 1328205614 1170259681 /nfs/dbraw/zinc/25/96/81/1170259681.db2.gz ODUZVHCANLHQPX-YFKPBYRVSA-N 2 0 189.215 -2.048 20 0 AAADRP C[NH2+]C[C@@H](C)NC(=O)C[NH3+] 1328456571 1170262521 /nfs/dbraw/zinc/26/25/21/1170262521.db2.gz AQRRKPMTFVZCTM-RXMQYKEDSA-N 2 0 145.206 -1.331 20 0 AAADRP C[NH2+]C[C@H](C)NC(=O)C[NH3+] 1328456572 1170262660 /nfs/dbraw/zinc/26/26/60/1170262660.db2.gz AQRRKPMTFVZCTM-YFKPBYRVSA-N 2 0 145.206 -1.331 20 0 AAADRP C[C@H]([NH3+])CN(C)C[C@@H](O)C[NH3+] 1329499014 1170268107 /nfs/dbraw/zinc/26/81/07/1170268107.db2.gz LQNJJJVJCDHBFF-BQBZGAKWSA-N 2 0 161.249 -1.415 20 0 AAADRP C[C@H]([NH3+])CN(C)C[C@H](O)C[NH3+] 1329499015 1170269381 /nfs/dbraw/zinc/26/93/81/1170269381.db2.gz LQNJJJVJCDHBFF-NKWVEPMBSA-N 2 0 161.249 -1.415 20 0 AAADRP C[C@@H]([NH3+])CN(C)C[C@H](O)C[NH3+] 1329499016 1170269760 /nfs/dbraw/zinc/26/97/60/1170269760.db2.gz LQNJJJVJCDHBFF-RNFRBKRXSA-N 2 0 161.249 -1.415 20 0 AAADRP CN(CC[NH3+])C(=O)C1([NH3+])CC1 1329520602 1170270460 /nfs/dbraw/zinc/27/04/60/1170270460.db2.gz JYBUAIQIUQLNFL-UHFFFAOYSA-N 2 0 157.217 -1.105 20 0 AAADRP CN(CC[NH3+])C(=O)CNC(=O)C[NH3+] 1329372602 1170270425 /nfs/dbraw/zinc/27/04/25/1170270425.db2.gz XSWYDWYKJKEEHU-UHFFFAOYSA-N 2 0 188.231 -2.522 20 0 AAADRP C[C@@H]([NH3+])CN(C)C[C@@H](O)C[NH3+] 1329499017 1170270449 /nfs/dbraw/zinc/27/04/49/1170270449.db2.gz LQNJJJVJCDHBFF-RQJHMYQMSA-N 2 0 161.249 -1.415 20 0 AAADRP [NH3+]CCNC(=O)[C@@H]1[NH2+]C[C@@H]2C[C@@H]21 1329702234 1170271813 /nfs/dbraw/zinc/27/18/13/1170271813.db2.gz BFLVMFSREOKHEN-LYFYHCNISA-N 2 0 169.228 -1.331 20 0 AAADRP CN(CCC[NH3+])C(=O)NCC[NH3+] 1329823807 1170274504 /nfs/dbraw/zinc/27/45/04/1170274504.db2.gz OLAIASVAESRZGN-UHFFFAOYSA-N 2 0 174.248 -1.065 20 0 AAADRP [NH3+]CCCCNC(=O)C1(O)C[NH2+]C1 1329937920 1170274582 /nfs/dbraw/zinc/27/45/82/1170274582.db2.gz PXWFRECBUUOARG-UHFFFAOYSA-N 2 0 187.243 -1.824 20 0 AAADRP C[NH2+][C@@H](C)C(=O)NCC1C[NH2+]C1 1329923982 1170275468 /nfs/dbraw/zinc/27/54/68/1170275468.db2.gz NQAFLMBZVYJJHT-LURJTMIESA-N 2 0 171.244 -1.070 20 0 AAADRP O=C(NCC1C[NH2+]C1)[C@@H]1[NH2+]C[C@@H]2C[C@@H]21 1330084992 1170278344 /nfs/dbraw/zinc/27/83/44/1170278344.db2.gz JFAJZZPEYHYIDH-XHNCKOQMSA-N 2 0 195.266 -1.070 20 0 AAADRP [NH3+]CCNC(=O)C1(O)C[NH2+]C1 1330584842 1170280579 /nfs/dbraw/zinc/28/05/79/1170280579.db2.gz OIWXMSQEURDDOK-UHFFFAOYSA-N 2 0 159.189 -2.604 20 0 AAADRP C[NH2+]C[C@H](C)NC(=O)[C@H](C[NH3+])OC 1330877174 1170285857 /nfs/dbraw/zinc/28/58/57/1170285857.db2.gz REAIOBJWOXWWHD-BQBZGAKWSA-N 2 0 189.259 -1.316 20 0 AAADRP C[NH2+]C[C@@H](C)NC(=O)[C@H](C[NH3+])OC 1330877175 1170285915 /nfs/dbraw/zinc/28/59/15/1170285915.db2.gz REAIOBJWOXWWHD-RQJHMYQMSA-N 2 0 189.259 -1.316 20 0 AAADRP CN(CCOCC[NH3+])C(=O)C[NH3+] 1331725673 1170296305 /nfs/dbraw/zinc/29/63/05/1170296305.db2.gz NRVFGTHWHKKTIQ-UHFFFAOYSA-N 2 0 175.232 -1.621 20 0 AAADRP [NH3+][C@@H]1C[C@@H]1C(=O)N[C@H]1[C@@H]2C[NH2+]C[C@@H]21 1332242416 1170301739 /nfs/dbraw/zinc/30/17/39/1170301739.db2.gz JQUBFNIRZPXEKE-TVNFTVLESA-N 2 0 181.239 -1.332 20 0 AAADRP CO[C@H](C[NH3+])CC(=O)N(C)CC[NH3+] 1332283726 1170305648 /nfs/dbraw/zinc/30/56/48/1170305648.db2.gz YZVGGBIOVZCGPW-ZETCQYMHSA-N 2 0 189.259 -1.233 20 0 AAADRP CO[C@@H](C[NH3+])CC(=O)N(C)CC[NH3+] 1332283723 1170305787 /nfs/dbraw/zinc/30/57/87/1170305787.db2.gz YZVGGBIOVZCGPW-SSDOTTSWSA-N 2 0 189.259 -1.233 20 0 AAADRP CN(CC[NH3+])C[C@H](O)C[NH3+] 1332423413 1170306198 /nfs/dbraw/zinc/30/61/98/1170306198.db2.gz AYBMDCMVNHHVIU-ZCFIWIBFSA-N 2 0 147.222 -1.804 20 0 AAADRP CN(CC[NH3+])C[C@@H](O)C[NH3+] 1332423381 1170306730 /nfs/dbraw/zinc/30/67/30/1170306730.db2.gz AYBMDCMVNHHVIU-LURJTMIESA-N 2 0 147.222 -1.804 20 0 AAADRP [NH3+][C@H]1C[C@H](CNC(=O)C2(O)C[NH2+]C2)C1 1332994000 1170316891 /nfs/dbraw/zinc/31/68/91/1170316891.db2.gz NGVVTLYEFZKNAU-LJGSYFOKSA-N 2 0 199.254 -1.826 20 0 AAADRP C[NH2+]CC(=O)NC[C@@H]1COCC[NH2+]1 1333351432 1170322233 /nfs/dbraw/zinc/32/22/33/1170322233.db2.gz HTDASXVHMWTZMF-SSDOTTSWSA-N 2 0 187.243 -1.690 20 0 AAADRP [NH3+]CCC(=O)NC[C@H]1COCC[NH2+]1 1333351470 1170323022 /nfs/dbraw/zinc/32/30/22/1170323022.db2.gz ICTPVGWCIGCVML-ZETCQYMHSA-N 2 0 187.243 -1.560 20 0 AAADRP C[NH2+]CC(=O)NC[C@H]1COCC[NH2+]1 1333351434 1170323399 /nfs/dbraw/zinc/32/33/99/1170323399.db2.gz HTDASXVHMWTZMF-ZETCQYMHSA-N 2 0 187.243 -1.690 20 0 AAADRP [NH3+]CCC(=O)NC[C@@H]1COCC[NH2+]1 1333351469 1170323496 /nfs/dbraw/zinc/32/34/96/1170323496.db2.gz ICTPVGWCIGCVML-SSDOTTSWSA-N 2 0 187.243 -1.560 20 0 AAADRP CCOC(=O)[C@@H](C)NC(C[NH3+])C[NH3+] 1333529168 1170325154 /nfs/dbraw/zinc/32/51/54/1170325154.db2.gz MALDUPSXDDWMGA-ZCFIWIBFSA-N 2 0 189.259 -1.186 20 0 AAADRP CCOC(=O)[C@H](C)NC(C[NH3+])C[NH3+] 1333529167 1170325889 /nfs/dbraw/zinc/32/58/89/1170325889.db2.gz MALDUPSXDDWMGA-LURJTMIESA-N 2 0 189.259 -1.186 20 0 AAADRP [NH3+][C@@H]1C[C@H](O)[C@@H](N2CC[NH2+]CC2)C1 1333529206 1170326746 /nfs/dbraw/zinc/32/67/46/1170326746.db2.gz MOQHZYOAFUYEIE-CIUDSAMLSA-N 2 0 185.271 -1.258 20 0 AAADRP [NH3+]CCNC(=O)NC[C@H]1C[C@@H]([NH3+])C1 1333603105 1170328480 /nfs/dbraw/zinc/32/84/80/1170328480.db2.gz WUCIVVDZTFIJNF-KNVOCYPGSA-N 2 0 186.259 -1.018 20 0 AAADRP [NH3+]CCNC(=O)NC[C@H]1C[C@H]([NH3+])C1 1334215203 1170338652 /nfs/dbraw/zinc/33/86/52/1170338652.db2.gz WUCIVVDZTFIJNF-LJGSYFOKSA-N 2 0 186.259 -1.018 20 0 AAADRP [NH3+][C@@H]1C[C@H](O)[C@@H](N2CC[C@@H]([NH3+])C2)C1 1334339672 1170340589 /nfs/dbraw/zinc/34/05/89/1170340589.db2.gz YKSJAAHTBPYFHL-XGEHTFHBSA-N 2 0 185.271 -1.130 20 0 AAADRP CC(C)([NH3+])CNC(=O)CNCC[NH3+] 1335262102 1170349162 /nfs/dbraw/zinc/34/91/62/1170349162.db2.gz BLEUFNZHTSODFU-UHFFFAOYSA-N 2 0 188.275 -1.612 20 0 AAADRP [NH3+][C@@H]1C[C@H](O)[C@@H](N2CC[C@H]([NH3+])C2)C1 1335191062 1170349937 /nfs/dbraw/zinc/34/99/37/1170349937.db2.gz YKSJAAHTBPYFHL-JBDRJPRFSA-N 2 0 185.271 -1.130 20 0 AAADRP CCOC(=O)CCNC(C[NH3+])C[NH3+] 1335190871 1170351518 /nfs/dbraw/zinc/35/15/18/1170351518.db2.gz WAFCEBZRQXBORG-UHFFFAOYSA-N 2 0 189.259 -1.185 20 0 AAADRP C[NH2+][C@H](C)CCNC(=O)[C@H]([NH3+])CO 1335307975 1170352357 /nfs/dbraw/zinc/35/23/57/1170352357.db2.gz IDVIJAIFXSCJEW-RNFRBKRXSA-N 2 0 189.259 -1.580 20 0 AAADRP C[NH2+]CCCNC(=O)C[C@H](O)C[NH3+] 1335307604 1170352739 /nfs/dbraw/zinc/35/27/39/1170352739.db2.gz GFZWMXGHCPMHNE-ZETCQYMHSA-N 2 0 189.259 -1.578 20 0 AAADRP C[C@@H](C[NH3+])N(C)C(=O)[C@H]([NH3+])CO 1335307048 1170353303 /nfs/dbraw/zinc/35/33/03/1170353303.db2.gz CCXMVGUQTWAWBS-NTSWFWBYSA-N 2 0 175.232 -1.888 20 0 AAADRP C[NH2+]CCCNC(=O)C[C@@H](O)C[NH3+] 1335307596 1170354072 /nfs/dbraw/zinc/35/40/72/1170354072.db2.gz GFZWMXGHCPMHNE-SSDOTTSWSA-N 2 0 189.259 -1.578 20 0 AAADRP C[C@H](C[NH3+])N(C)C(=O)[C@H]([NH3+])CO 1335307053 1170354147 /nfs/dbraw/zinc/35/41/47/1170354147.db2.gz CCXMVGUQTWAWBS-PHDIDXHHSA-N 2 0 175.232 -1.888 20 0 AAADRP C[NH2+][C@@H](C)CCNC(=O)[C@H]([NH3+])CO 1335307974 1170354223 /nfs/dbraw/zinc/35/42/23/1170354223.db2.gz IDVIJAIFXSCJEW-NKWVEPMBSA-N 2 0 189.259 -1.580 20 0 AAADRP C[C@@H](C[NH3+])N(C)C(=O)CNCC[NH3+] 1335841798 1170357970 /nfs/dbraw/zinc/35/79/70/1170357970.db2.gz HJCUZFIVNXZWPW-ZETCQYMHSA-N 2 0 188.275 -1.660 20 0 AAADRP C[C@H](C[NH3+])N(C)C(=O)CNCC[NH3+] 1335841797 1170359354 /nfs/dbraw/zinc/35/93/54/1170359354.db2.gz HJCUZFIVNXZWPW-SSDOTTSWSA-N 2 0 188.275 -1.660 20 0 AAADRP C[NH2+]CCNC(=O)[C@@H]1[NH2+]C[C@@H]2C[C@@H]21 1335841197 1170359429 /nfs/dbraw/zinc/35/94/29/1170359429.db2.gz AMQLUPIYRMFOSV-BIIVOSGPSA-N 2 0 183.255 -1.070 20 0 AAADRP CC[NH2+]CCNC(=O)[C@H]([NH3+])CO 1335841789 1170360051 /nfs/dbraw/zinc/36/00/51/1170360051.db2.gz HGRVSXQLAFZFDH-ZCFIWIBFSA-N 2 0 175.232 -1.968 20 0 AAADRP [NH3+][C@H](CO)C(=O)N[C@@H]1CCC[NH2+]C1 1335844960 1170362897 /nfs/dbraw/zinc/36/28/97/1170362897.db2.gz ZNBSBMBUTDRZBW-RNFRBKRXSA-N 2 0 187.243 -1.826 20 0 AAADRP [NH3+][C@H](CO)C(=O)N[C@H]1CCC[NH2+]C1 1335844952 1170363493 /nfs/dbraw/zinc/36/34/93/1170363493.db2.gz ZNBSBMBUTDRZBW-NKWVEPMBSA-N 2 0 187.243 -1.826 20 0 AAADRP C[NH2+][C@H]1CCN(C(=O)[C@H]([NH3+])CO)C1 1336686569 1170375774 /nfs/dbraw/zinc/37/57/74/1170375774.db2.gz FNLWPLMGWFENGJ-NKWVEPMBSA-N 2 0 187.243 -1.874 20 0 AAADRP C[NH2+][C@@H]1CCN(C(=O)[C@H]([NH3+])CO)C1 1336686570 1170375979 /nfs/dbraw/zinc/37/59/79/1170375979.db2.gz FNLWPLMGWFENGJ-RNFRBKRXSA-N 2 0 187.243 -1.874 20 0 AAADRP [NH3+][C@H](CO)C(=O)NCC[NH2+]C1CC1 1336686855 1170376363 /nfs/dbraw/zinc/37/63/63/1170376363.db2.gz ILALEDKZPLLFCO-SSDOTTSWSA-N 2 0 187.243 -1.826 20 0 AAADRP C[C@@H](C[NH3+])N(C)C(=O)C[C@@H](O)C[NH3+] 1336660418 1170376391 /nfs/dbraw/zinc/37/63/91/1170376391.db2.gz QHPPDQOOFMOZPS-NKWVEPMBSA-N 2 0 189.259 -1.498 20 0 AAADRP CC(C)(C[NH3+])NC(=O)CNCC[NH3+] 1336657973 1170376950 /nfs/dbraw/zinc/37/69/50/1170376950.db2.gz GUVXBPBUDMGUGZ-UHFFFAOYSA-N 2 0 188.275 -1.612 20 0 AAADRP C[C@@H](C[NH3+])N(C)C(=O)C[C@H](O)C[NH3+] 1336660415 1170377408 /nfs/dbraw/zinc/37/74/08/1170377408.db2.gz QHPPDQOOFMOZPS-BQBZGAKWSA-N 2 0 189.259 -1.498 20 0 AAADRP C[C@H](C[NH3+])N(C)C(=O)C[C@H](O)C[NH3+] 1336660423 1170378228 /nfs/dbraw/zinc/37/82/28/1170378228.db2.gz QHPPDQOOFMOZPS-RQJHMYQMSA-N 2 0 189.259 -1.498 20 0 AAADRP C[C@H](C[NH3+])N(C)C(=O)C[C@@H](O)C[NH3+] 1336660420 1170378252 /nfs/dbraw/zinc/37/82/52/1170378252.db2.gz QHPPDQOOFMOZPS-RNFRBKRXSA-N 2 0 189.259 -1.498 20 0 AAADRP CC[NH2+]CCNC(=O)C[C@@H](O)C[NH3+] 1338372678 1170406950 /nfs/dbraw/zinc/40/69/50/1170406950.db2.gz AMRIWDCROXXQLZ-SSDOTTSWSA-N 2 0 189.259 -1.578 20 0 AAADRP CC[NH2+]CCNC(=O)C[C@H](O)C[NH3+] 1338372679 1170409169 /nfs/dbraw/zinc/40/91/69/1170409169.db2.gz AMRIWDCROXXQLZ-ZETCQYMHSA-N 2 0 189.259 -1.578 20 0 AAADRP COC(=O)CCCNC(C[NH3+])C[NH3+] 1339914129 1170423490 /nfs/dbraw/zinc/42/34/90/1170423490.db2.gz LPWPVYOEEJJHMS-UHFFFAOYSA-N 2 0 189.259 -1.185 20 0 AAADRP C[C@@H]1C[NH2+]CCN1C(=O)[C@H]([NH3+])CO 1340261938 1170424799 /nfs/dbraw/zinc/42/47/99/1170424799.db2.gz KQKFMIXVJHZXIP-RNFRBKRXSA-N 2 0 187.243 -1.874 20 0 AAADRP COC[C@H]([NH3+])C(=O)N(C)CC[NH3+] 1340333305 1170425653 /nfs/dbraw/zinc/42/56/53/1170425653.db2.gz KUVIHSQAMXVPRD-LURJTMIESA-N 2 0 175.232 -1.623 20 0 AAADRP [NH3+][C@H](CO)C(=O)N[C@H]1[C@@H]2C[NH2+]C[C@@H]21 1340164693 1170425758 /nfs/dbraw/zinc/42/57/58/1170425758.db2.gz PSOFGJVNUJKKOD-UCROKIRRSA-N 2 0 185.227 -2.360 20 0 AAADRP C[C@H](C[NH3+])CNC(=O)CNCC[NH3+] 1340119498 1170425997 /nfs/dbraw/zinc/42/59/97/1170425997.db2.gz QDNWAZHHBXGAFG-SSDOTTSWSA-N 2 0 188.275 -1.754 20 0 AAADRP [NH3+]CCNCC(=O)N[C@H]1[C@@H]2C[NH2+]C[C@@H]21 1340165690 1170426533 /nfs/dbraw/zinc/42/65/33/1170426533.db2.gz VCDZFGDKJCRIDN-QMSLJYSESA-N 2 0 198.270 -2.131 20 0 AAADRP C[NH2+]CCCN(C)C(=O)[C@H]([NH3+])CO 1340344125 1170426655 /nfs/dbraw/zinc/42/66/55/1170426655.db2.gz AELKWDJFIWYZHX-SSDOTTSWSA-N 2 0 189.259 -1.626 20 0 AAADRP C[C@@H](C[NH3+])CNC(=O)CNCC[NH3+] 1340119510 1170426695 /nfs/dbraw/zinc/42/66/95/1170426695.db2.gz QDNWAZHHBXGAFG-ZETCQYMHSA-N 2 0 188.275 -1.754 20 0 AAADRP CN(CC[NH3+])C(=O)[C@H]([NH3+])CO 1340469994 1170427257 /nfs/dbraw/zinc/42/72/57/1170427257.db2.gz BZCGXLBECSASJN-RXMQYKEDSA-N 2 0 161.205 -2.277 20 0 AAADRP [NH3+]C[C@@H](O)CNC(=O)C12CC(C[NH2+]1)C2 1340644720 1170427294 /nfs/dbraw/zinc/42/72/94/1170427294.db2.gz TYKBFVRPXBCONS-KDIYEYIXSA-N 2 0 199.254 -1.826 20 0 AAADRP [NH3+][C@H]1C[C@H](C(=O)NCC2(O)C[NH2+]C2)C1 1340710446 1170427321 /nfs/dbraw/zinc/42/73/21/1170427321.db2.gz UOOJUMAXOBPILA-LJGSYFOKSA-N 2 0 199.254 -1.826 20 0 AAADRP C[NH2+]C[C@H](C)C(=O)NC[C@@H](O)C[NH3+] 1340644922 1170427384 /nfs/dbraw/zinc/42/73/84/1170427384.db2.gz ZEGSRYCMDIOQTG-BQBZGAKWSA-N 2 0 189.259 -1.722 20 0 AAADRP CC[C@@H]([NH2+]C)C(=O)NC[C@@H](O)C[NH3+] 1340644742 1170427539 /nfs/dbraw/zinc/42/75/39/1170427539.db2.gz UGFNNFHXKIMDBT-NKWVEPMBSA-N 2 0 189.259 -1.580 20 0 AAADRP [NH3+]CCCC(=O)N[C@@H]1C[NH2+]C[C@@H]1O 1340658786 1170427627 /nfs/dbraw/zinc/42/76/27/1170427627.db2.gz DFNRNJSYWCWEQV-RQJHMYQMSA-N 2 0 187.243 -1.826 20 0 AAADRP C[NH2+]C[C@H](C)C(=O)NC[C@H](O)C[NH3+] 1340644923 1170427672 /nfs/dbraw/zinc/42/76/72/1170427672.db2.gz ZEGSRYCMDIOQTG-NKWVEPMBSA-N 2 0 189.259 -1.722 20 0 AAADRP [NH3+]C[C@@H](O)CNC(=O)[C@@H]1[C@H]2C[NH2+]C[C@H]21 1340644822 1170427643 /nfs/dbraw/zinc/42/76/43/1170427643.db2.gz WMHMONMMSOMMQX-NGJRWZKOSA-N 2 0 199.254 -2.112 20 0 AAADRP C[NH2+]C[C@@H](C)C(=O)NC[C@@H](O)C[NH3+] 1340644925 1170427822 /nfs/dbraw/zinc/42/78/22/1170427822.db2.gz ZEGSRYCMDIOQTG-RQJHMYQMSA-N 2 0 189.259 -1.722 20 0 AAADRP [NH3+]C[C@H](O)CNC(=O)C12CC(C[NH2+]1)C2 1340644711 1170427826 /nfs/dbraw/zinc/42/78/26/1170427826.db2.gz TYKBFVRPXBCONS-CRMOQAEOSA-N 2 0 199.254 -1.826 20 0 AAADRP C[NH2+]CC(=O)NCC1(O)C[NH2+]C1 1340596637 1170428170 /nfs/dbraw/zinc/42/81/70/1170428170.db2.gz SAWKNFAITXESMD-UHFFFAOYSA-N 2 0 173.216 -2.344 20 0 AAADRP CC[C@@H]([NH2+]C)C(=O)NC[C@H](O)C[NH3+] 1340644743 1170428230 /nfs/dbraw/zinc/42/82/30/1170428230.db2.gz UGFNNFHXKIMDBT-RNFRBKRXSA-N 2 0 189.259 -1.580 20 0 AAADRP CC[C@H]([NH2+]C)C(=O)NC[C@H](O)C[NH3+] 1340644744 1170428385 /nfs/dbraw/zinc/42/83/85/1170428385.db2.gz UGFNNFHXKIMDBT-RQJHMYQMSA-N 2 0 189.259 -1.580 20 0 AAADRP [NH3+]C[C@H](O)CNC(=O)[C@@H]1[C@H]2C[NH2+]C[C@H]21 1340644823 1170428546 /nfs/dbraw/zinc/42/85/46/1170428546.db2.gz WMHMONMMSOMMQX-RULNZFCNSA-N 2 0 199.254 -2.112 20 0 AAADRP CC[C@H]([NH2+]C)C(=O)NC[C@@H](O)C[NH3+] 1340644741 1170428803 /nfs/dbraw/zinc/42/88/03/1170428803.db2.gz UGFNNFHXKIMDBT-BQBZGAKWSA-N 2 0 189.259 -1.580 20 0 AAADRP C[NH2+]C[C@@H](C)C(=O)NC[C@H](O)C[NH3+] 1340644924 1170428925 /nfs/dbraw/zinc/42/89/25/1170428925.db2.gz ZEGSRYCMDIOQTG-RNFRBKRXSA-N 2 0 189.259 -1.722 20 0 AAADRP C[C@@H]([NH3+])C(=O)N[C@@H]1C[NH2+]C[C@@H]1O 1340785504 1170429583 /nfs/dbraw/zinc/42/95/83/1170429583.db2.gz DVFIEXRRSMETFN-PBXRRBTRSA-N 2 0 173.216 -2.218 20 0 AAADRP [NH3+][C@H](CO)C(=O)N1C[C@@H]2C[NH2+]C[C@@H]2C1 1340922471 1170429948 /nfs/dbraw/zinc/42/99/48/1170429948.db2.gz KVXAHBPYQRQDNR-GJMOJQLCSA-N 2 0 199.254 -2.016 20 0 AAADRP CC[C@@H]([NH3+])CNC(=O)CNCC[NH3+] 1340935751 1170430098 /nfs/dbraw/zinc/43/00/98/1170430098.db2.gz IPKJRMYMIGHWAX-SSDOTTSWSA-N 2 0 188.275 -1.612 20 0 AAADRP C[NH2+]CC(=O)N[C@@H]1C[NH2+]C[C@@H]1O 1340788132 1170430119 /nfs/dbraw/zinc/43/01/19/1170430119.db2.gz XDJKEGZVKLCKLF-RITPCOANSA-N 2 0 173.216 -2.345 20 0 AAADRP O=C(N[C@H]1C[NH2+]C[C@H]1O)[C@H]1CCC[NH2+]1 1340788175 1170430375 /nfs/dbraw/zinc/43/03/75/1170430375.db2.gz XVWMZLWFHOUIHN-GJMOJQLCSA-N 2 0 199.254 -1.813 20 0 AAADRP C[C@H]([NH3+])CN(C)C(=O)[C@H]([NH3+])CO 1340735928 1170430626 /nfs/dbraw/zinc/43/06/26/1170430626.db2.gz PMBFQKGCOQBFGX-NTSWFWBYSA-N 2 0 175.232 -1.888 20 0 AAADRP C[C@@H]([NH3+])CN(C)C(=O)[C@H]([NH3+])CO 1340735933 1170430758 /nfs/dbraw/zinc/43/07/58/1170430758.db2.gz PMBFQKGCOQBFGX-PHDIDXHHSA-N 2 0 175.232 -1.888 20 0 AAADRP C[C@@H]1CN(C(=O)[C@H]([NH3+])CO)CC[NH2+]1 1340916960 1170430885 /nfs/dbraw/zinc/43/08/85/1170430885.db2.gz VBPBIVRXLCNMNT-RNFRBKRXSA-N 2 0 187.243 -1.874 20 0 AAADRP C[C@H]([NH3+])C(=O)N1CC[NH2+]C[C@@H]1CO 1340846203 1170430932 /nfs/dbraw/zinc/43/09/32/1170430932.db2.gz JGSSKCWQIGVVLV-NKWVEPMBSA-N 2 0 187.243 -1.874 20 0 AAADRP CC[C@H]([NH3+])CNC(=O)CNCC[NH3+] 1340935752 1170431064 /nfs/dbraw/zinc/43/10/64/1170431064.db2.gz IPKJRMYMIGHWAX-ZETCQYMHSA-N 2 0 188.275 -1.612 20 0 AAADRP [NH3+]CCC(=O)N[C@@H]1C[NH2+]C[C@@H]1O 1340785769 1170431111 /nfs/dbraw/zinc/43/11/11/1170431111.db2.gz HHKNUUOCUGTIHL-RITPCOANSA-N 2 0 173.216 -2.216 20 0 AAADRP C[C@H]([NH3+])C(=O)N1CC[NH2+]C[C@H]1CO 1340846202 1170431271 /nfs/dbraw/zinc/43/12/71/1170431271.db2.gz JGSSKCWQIGVVLV-BQBZGAKWSA-N 2 0 187.243 -1.874 20 0 AAADRP [NH3+]C[C@@H](O)CC(=O)N[C@H]1[C@@H]2C[NH2+]C[C@@H]21 1340937507 1170432870 /nfs/dbraw/zinc/43/28/70/1170432870.db2.gz ZDKXEFVTTRZKMH-XZMZPDFPSA-N 2 0 199.254 -1.970 20 0 AAADRP [NH3+]C[C@H](O)CC(=O)N[C@H]1[C@@H]2C[NH2+]C[C@@H]21 1340937506 1170433190 /nfs/dbraw/zinc/43/31/90/1170433190.db2.gz ZDKXEFVTTRZKMH-JAKMQLQISA-N 2 0 199.254 -1.970 20 0 AAADRP [NH3+][C@H](CO)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 1340944171 1170433610 /nfs/dbraw/zinc/43/36/10/1170433610.db2.gz MLIPVSYLQQUGSO-PRJMDXOYSA-N 2 0 199.254 -1.874 20 0 AAADRP [NH3+][C@H]1C[C@@H](C(=O)NCC2(O)C[NH2+]C2)C1 1341337653 1170434269 /nfs/dbraw/zinc/43/42/69/1170434269.db2.gz UOOJUMAXOBPILA-KNVOCYPGSA-N 2 0 199.254 -1.826 20 0 AAADRP C[C@H](C(=O)NC[C@H](O)C[NH3+])[NH+](C)C 1341385484 1170434708 /nfs/dbraw/zinc/43/47/08/1170434708.db2.gz VUGSSXGNIVVFTP-RNFRBKRXSA-N 2 0 189.259 -1.628 20 0 AAADRP C[C@H](C(=O)NC[C@@H](O)C[NH3+])[NH+](C)C 1341385487 1170435389 /nfs/dbraw/zinc/43/53/89/1170435389.db2.gz VUGSSXGNIVVFTP-RQJHMYQMSA-N 2 0 189.259 -1.628 20 0 AAADRP C[NH2+]CCC(=O)NCC1(O)C[NH2+]C1 1341336058 1170435433 /nfs/dbraw/zinc/43/54/33/1170435433.db2.gz AQSVIGWJZAKVCC-UHFFFAOYSA-N 2 0 187.243 -1.954 20 0 AAADRP [NH3+]C1(CNC(=O)[C@H]2C[NH2+]CCO2)CC1 1341301985 1170435501 /nfs/dbraw/zinc/43/55/01/1170435501.db2.gz KPXRVLBPGPLILR-SSDOTTSWSA-N 2 0 199.254 -1.418 20 0 AAADRP C[C@H]([NH3+])CC(=O)NCC1(O)C[NH2+]C1 1341337961 1170436221 /nfs/dbraw/zinc/43/62/21/1170436221.db2.gz YYUPNBUJOAVBDI-LURJTMIESA-N 2 0 187.243 -1.826 20 0 AAADRP [NH3+]C[C@H](O)CC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 1341503790 1170436579 /nfs/dbraw/zinc/43/65/79/1170436579.db2.gz SRAZCFLDZIHALS-BIIVOSGPSA-N 2 0 199.254 -1.731 20 0 AAADRP [NH3+]C[C@@H](O)CC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 1341503793 1170436616 /nfs/dbraw/zinc/43/66/16/1170436616.db2.gz SRAZCFLDZIHALS-FXQIFTODSA-N 2 0 199.254 -1.731 20 0 AAADRP [NH3+]CC(=O)N1CC[NH2+]C[C@@H]1CO 1341583693 1170436643 /nfs/dbraw/zinc/43/66/43/1170436643.db2.gz YYIADKVNVJRCRC-ZCFIWIBFSA-N 2 0 173.216 -2.262 20 0 AAADRP [NH3+][C@H]1C[C@@H](C(=O)N[C@@H]2C[NH2+]C[C@@H]2O)C1 1341426092 1170437545 /nfs/dbraw/zinc/43/75/45/1170437545.db2.gz UPIJOHZFOHVWJC-CWKFCGSDSA-N 2 0 199.254 -1.827 20 0 AAADRP [NH3+]CC(=O)N1CC[NH2+]C[C@H]1CO 1341583692 1170437587 /nfs/dbraw/zinc/43/75/87/1170437587.db2.gz YYIADKVNVJRCRC-LURJTMIESA-N 2 0 173.216 -2.262 20 0 AAADRP C[C@]1(NC(=O)[C@H]([NH3+])CO)CC[NH2+]C1 1341422538 1170438536 /nfs/dbraw/zinc/43/85/36/1170438536.db2.gz ABLDTWXKQLENFT-SVRRBLITSA-N 2 0 187.243 -1.826 20 0 AAADRP C[C@@]1(NC(=O)[C@H]([NH3+])CO)CC[NH2+]C1 1341422534 1170438570 /nfs/dbraw/zinc/43/85/70/1170438570.db2.gz ABLDTWXKQLENFT-HTRCEHHLSA-N 2 0 187.243 -1.826 20 0 AAADRP C[C@H]1CN(C(=O)[C@H]([NH3+])CO)CC[NH2+]1 1341768389 1170439110 /nfs/dbraw/zinc/43/91/10/1170439110.db2.gz VBPBIVRXLCNMNT-NKWVEPMBSA-N 2 0 187.243 -1.874 20 0 AAADRP [NH3+][C@@H]1CCCN(C(=O)[C@H]([NH3+])CO)C1 1341764537 1170440665 /nfs/dbraw/zinc/44/06/65/1170440665.db2.gz HYMFMQKQEPPINF-RNFRBKRXSA-N 2 0 187.243 -1.744 20 0 AAADRP CC[NH2+][C@H](C)CNC(=O)[C@H]([NH3+])CO 1341765486 1170441567 /nfs/dbraw/zinc/44/15/67/1170441567.db2.gz JSIDXOWXVUYXFX-RNFRBKRXSA-N 2 0 189.259 -1.580 20 0 AAADRP CN(CCC[NH3+])C(=O)[C@H]([NH3+])CO 1341995660 1170441890 /nfs/dbraw/zinc/44/18/90/1170441890.db2.gz WPDQTSNRKNYPNQ-ZCFIWIBFSA-N 2 0 175.232 -1.887 20 0 AAADRP CC[C@H]([NH3+])C(=O)N[C@@H]1C[NH2+]C[C@@H]1O 1342175670 1170444452 /nfs/dbraw/zinc/44/44/52/1170444452.db2.gz JTNJKQUONPJWDP-XVMARJQXSA-N 2 0 187.243 -1.827 20 0 AAADRP CCN(CC[NH3+])C(=O)[C@H]([NH3+])CO 1342207939 1170444769 /nfs/dbraw/zinc/44/47/69/1170444769.db2.gz YERQYPHZIJAGGF-ZCFIWIBFSA-N 2 0 175.232 -1.887 20 0 AAADRP O=C(C[NH2+]C1CC1)N[C@H]1C[NH2+]C[C@H]1O 1342268969 1170444781 /nfs/dbraw/zinc/44/47/81/1170444781.db2.gz FIKRGFGEAVGNHD-JGVFFNPUSA-N 2 0 199.254 -1.813 20 0 AAADRP CC1(C(=O)NC[C@@H](O)C[NH3+])C[NH2+]C1 1342146099 1170444953 /nfs/dbraw/zinc/44/49/53/1170444953.db2.gz DZNDFGAMDDZTMK-LURJTMIESA-N 2 0 187.243 -1.968 20 0 AAADRP CC1(C(=O)NC[C@H](O)C[NH3+])C[NH2+]C1 1342146100 1170445154 /nfs/dbraw/zinc/44/51/54/1170445154.db2.gz DZNDFGAMDDZTMK-ZCFIWIBFSA-N 2 0 187.243 -1.968 20 0 AAADRP [NH3+]C1(C(=O)NCC2(O)C[NH2+]C2)CCC1 1342191218 1170445241 /nfs/dbraw/zinc/44/52/41/1170445241.db2.gz RPUIIRADWKDTGT-UHFFFAOYSA-N 2 0 199.254 -1.682 20 0 AAADRP C[C@H]([NH3+])C(=O)NCC1(O)C[NH2+]C1 1342190834 1170445308 /nfs/dbraw/zinc/44/53/08/1170445308.db2.gz OSRPIDDNAVSYOP-YFKPBYRVSA-N 2 0 173.216 -2.216 20 0 AAADRP O=C(C[NH2+]C1CC1)NCC1(O)C[NH2+]C1 1342188099 1170445337 /nfs/dbraw/zinc/44/53/37/1170445337.db2.gz CLNOBUPSZOGGLI-UHFFFAOYSA-N 2 0 199.254 -1.811 20 0 AAADRP CO[C@@H](C[NH3+])C(=O)N[C@H]1C[C@H]([NH3+])C1 1342160549 1170445377 /nfs/dbraw/zinc/44/53/77/1170445377.db2.gz UEAUWIZRKQLNKC-ACZMJKKPSA-N 2 0 187.243 -1.434 20 0 AAADRP C[C@H]([NH3+])CC(=O)N[C@@H]1C[NH2+]C[C@@H]1O 1342273131 1170446460 /nfs/dbraw/zinc/44/64/60/1170446460.db2.gz VVQXNZCGYMKTLD-XVMARJQXSA-N 2 0 187.243 -1.827 20 0 AAADRP CCN(CC[NH3+])C(=O)C[C@@H](O)C[NH3+] 1342301626 1170446734 /nfs/dbraw/zinc/44/67/34/1170446734.db2.gz KWRIGMIQPPHXCW-SSDOTTSWSA-N 2 0 189.259 -1.497 20 0 AAADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)[C@H]([NH3+])CO 1342273784 1170447113 /nfs/dbraw/zinc/44/71/13/1170447113.db2.gz WVUCDIDNBNGXDZ-FSDSQADBSA-N 2 0 187.243 -1.746 20 0 AAADRP C[C@H]1C[C@H]([NH3+])CN1C(=O)[C@H]([NH3+])CO 1342273785 1170447281 /nfs/dbraw/zinc/44/72/81/1170447281.db2.gz WVUCDIDNBNGXDZ-LYFYHCNISA-N 2 0 187.243 -1.746 20 0 AAADRP CCN(CC[NH3+])C(=O)C[C@H](O)C[NH3+] 1342301628 1170448068 /nfs/dbraw/zinc/44/80/68/1170448068.db2.gz KWRIGMIQPPHXCW-ZETCQYMHSA-N 2 0 189.259 -1.497 20 0 AAADRP C[C@H]1C[C@@H]([NH3+])CN1C(=O)[C@H]([NH3+])CO 1342273787 1170448195 /nfs/dbraw/zinc/44/81/95/1170448195.db2.gz WVUCDIDNBNGXDZ-RRKCRQDMSA-N 2 0 187.243 -1.746 20 0 AAADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)[C@H]([NH3+])CO 1342273782 1170448272 /nfs/dbraw/zinc/44/82/72/1170448272.db2.gz WVUCDIDNBNGXDZ-DSYKOEDSSA-N 2 0 187.243 -1.746 20 0 AAADRP [NH3+]CCOCC(=O)NCC1([NH3+])CC1 1342931423 1170452389 /nfs/dbraw/zinc/45/23/89/1170452389.db2.gz FRLRUHYXHPMHPY-UHFFFAOYSA-N 2 0 187.243 -1.431 20 0 AAADRP [NH3+]CCC(=O)NCC1([NH3+])CC1 1342814672 1170452866 /nfs/dbraw/zinc/45/28/66/1170452866.db2.gz NHSTYMTZUWDCTL-UHFFFAOYSA-N 2 0 157.217 -1.057 20 0 AAADRP C[NH2+]CCN(C)C(=O)[C@H]([NH3+])CO 1343457667 1170457577 /nfs/dbraw/zinc/45/75/77/1170457577.db2.gz GVRWKQCJWQBBMP-ZCFIWIBFSA-N 2 0 175.232 -2.016 20 0 AAADRP C[NH2+]CCN(C)C(=O)CNCC[NH3+] 1343457909 1170457651 /nfs/dbraw/zinc/45/76/51/1170457651.db2.gz HYYUSSIDBJKHKO-UHFFFAOYSA-N 2 0 188.275 -1.788 20 0 AAADRP [NH3+][C@H]1C[C@H](NC(=O)C2(O)C[NH2+]C2)C1 1343698594 1170459885 /nfs/dbraw/zinc/45/98/85/1170459885.db2.gz XWVSSZQOEYSOBO-IZLXSQMJSA-N 2 0 185.227 -2.073 20 0 AAADRP CN(CCC[NH3+])C(=O)CNCC[NH3+] 1343841910 1170460259 /nfs/dbraw/zinc/46/02/59/1170460259.db2.gz JXAIHDWDBARAIJ-UHFFFAOYSA-N 2 0 188.275 -1.658 20 0 AAADRP CC(C)([NH3+])C(=O)NCC1(O)C[NH2+]C1 1343967343 1170460285 /nfs/dbraw/zinc/46/02/85/1170460285.db2.gz OMBHRSJMDBWKDA-UHFFFAOYSA-N 2 0 187.243 -1.826 20 0 AAADRP CC1(C(=O)NCC2(O)C[NH2+]C2)C[NH2+]C1 1343968206 1170460609 /nfs/dbraw/zinc/46/06/09/1170460609.db2.gz YRJULPYILWDPOV-UHFFFAOYSA-N 2 0 199.254 -1.954 20 0 AAADRP [NH3+]C[C@H](O)CNC(=O)[C@@H]1[NH2+]C[C@@H]2C[C@@H]21 1344030758 1170462348 /nfs/dbraw/zinc/46/23/48/1170462348.db2.gz ARCIOXUSZOVDQX-DKXJUACHSA-N 2 0 199.254 -1.970 20 0 AAADRP C[NH2+]CCC(=O)N[C@@H]1C[NH2+]C[C@@H]1O 1344082613 1170462406 /nfs/dbraw/zinc/46/24/06/1170462406.db2.gz XRXWDSVJMVOYNI-RQJHMYQMSA-N 2 0 187.243 -1.955 20 0 AAADRP C[C@H]([NH3+])C(=O)N[C@@H]1C[NH2+]C[C@@H]1O 1344080722 1170462629 /nfs/dbraw/zinc/46/26/29/1170462629.db2.gz DVFIEXRRSMETFN-JKUQZMGJSA-N 2 0 173.216 -2.218 20 0 AAADRP CC[NH2+]CC(=O)NC[C@@H](O)C[NH3+] 1344043174 1170462742 /nfs/dbraw/zinc/46/27/42/1170462742.db2.gz ALAGYYOUCLGZHQ-LURJTMIESA-N 2 0 175.232 -1.968 20 0 AAADRP [NH3+]C[C@@H](O)CNC(=O)[C@@H]1[NH2+]C[C@@H]2C[C@@H]21 1344030760 1170462798 /nfs/dbraw/zinc/46/27/98/1170462798.db2.gz ARCIOXUSZOVDQX-FKSUSPILSA-N 2 0 199.254 -1.970 20 0 AAADRP [NH3+]C1(C(=O)N[C@@H]2C[NH2+]C[C@@H]2O)CCC1 1344080592 1170463108 /nfs/dbraw/zinc/46/31/08/1170463108.db2.gz AXDMLBAYWYUJAS-RQJHMYQMSA-N 2 0 199.254 -1.683 20 0 AAADRP CC[NH2+]CC(=O)NC[C@H](O)C[NH3+] 1344043176 1170463577 /nfs/dbraw/zinc/46/35/77/1170463577.db2.gz ALAGYYOUCLGZHQ-ZCFIWIBFSA-N 2 0 175.232 -1.968 20 0 AAADRP [NH3+]C[C@H]1CCCN1C(=O)[C@H]([NH3+])CO 1344582935 1170465025 /nfs/dbraw/zinc/46/50/25/1170465025.db2.gz GDFKCASABBZMLQ-RNFRBKRXSA-N 2 0 187.243 -1.744 20 0 AAADRP CO[C@@H](C[NH3+])C(=O)NCC1([NH3+])CC1 1345294027 1170470932 /nfs/dbraw/zinc/47/09/32/1170470932.db2.gz FUCWQGVLEQCBSV-LURJTMIESA-N 2 0 187.243 -1.432 20 0 AAADRP [NH3+]Cc1nnnn1C[C@H]1CC[NH2+]C1 1345780766 1170473512 /nfs/dbraw/zinc/47/35/12/1170473512.db2.gz IAENIVKWPJMVJS-LURJTMIESA-N 2 0 182.231 -1.259 20 0 AAADRP [NH3+]Cc1nnnn1C[C@@H]1CC[NH2+]C1 1345780772 1170473873 /nfs/dbraw/zinc/47/38/73/1170473873.db2.gz IAENIVKWPJMVJS-ZCFIWIBFSA-N 2 0 182.231 -1.259 20 0 AAADRP CN(C[C@H](O)C[NH3+])C[C@]12C[NH2+]C[C@H]1C2 1347182033 1170489033 /nfs/dbraw/zinc/48/90/33/1170489033.db2.gz UOANNOYUHJZLIR-BBBLOLIVSA-N 2 0 199.298 -1.153 20 0 AAADRP CN(C[C@H](O)C[NH3+])C[C@@]12C[NH2+]C[C@@H]1C2 1347182034 1170489210 /nfs/dbraw/zinc/48/92/10/1170489210.db2.gz UOANNOYUHJZLIR-IVZWLZJFSA-N 2 0 199.298 -1.153 20 0 AAADRP CN(CC[NH3+])C(=O)CC[NH3+] 1349403102 1170509321 /nfs/dbraw/zinc/50/93/21/1170509321.db2.gz JCFCWFUDHHQJJA-UHFFFAOYSA-N 2 0 145.206 -1.248 20 0 AAADRP CN(C(=O)[C@H]([NH3+])CO)[C@H]1CC[NH2+]C1 1353201606 1170536275 /nfs/dbraw/zinc/53/62/75/1170536275.db2.gz TXMSYYRBIOWOLG-NKWVEPMBSA-N 2 0 187.243 -1.874 20 0 AAADRP CN(C(=O)[C@H]([NH3+])CO)[C@@H]1CC[NH2+]C1 1353201607 1170537200 /nfs/dbraw/zinc/53/72/00/1170537200.db2.gz TXMSYYRBIOWOLG-RNFRBKRXSA-N 2 0 187.243 -1.874 20 0 AAADRP C[C@@H](CC[NH3+])NC(=O)CNCC[NH3+] 1353602501 1170538854 /nfs/dbraw/zinc/53/88/54/1170538854.db2.gz POBJHJFWIWMGJF-ZETCQYMHSA-N 2 0 188.275 -1.612 20 0 AAADRP C[C@H](CC[NH3+])NC(=O)CNCC[NH3+] 1353602500 1170540703 /nfs/dbraw/zinc/54/07/03/1170540703.db2.gz POBJHJFWIWMGJF-SSDOTTSWSA-N 2 0 188.275 -1.612 20 0 AAADRP CC[NH2+][C@@H](C)C(=O)NC[C@@H](O)C[NH3+] 1354296171 1170546689 /nfs/dbraw/zinc/54/66/89/1170546689.db2.gz BVWXJMSPKKOAHT-BQBZGAKWSA-N 2 0 189.259 -1.580 20 0 AAADRP CC[NH2+][C@@H](C)C(=O)NC[C@H](O)C[NH3+] 1354296189 1170546698 /nfs/dbraw/zinc/54/66/98/1170546698.db2.gz BVWXJMSPKKOAHT-NKWVEPMBSA-N 2 0 189.259 -1.580 20 0 AAADRP CC[C@@H]([NH3+])C(=O)NCC1(O)C[NH2+]C1 1354224035 1170546997 /nfs/dbraw/zinc/54/69/97/1170546997.db2.gz PEQISQMTNXLXCA-ZCFIWIBFSA-N 2 0 187.243 -1.826 20 0 AAADRP C[NH2+]C[C@H](C)NC(=O)C[C@@H](O)C[NH3+] 1354331407 1170547178 /nfs/dbraw/zinc/54/71/78/1170547178.db2.gz XFVIOLXAVCANDT-NKWVEPMBSA-N 2 0 189.259 -1.580 20 0 AAADRP CC[NH2+][C@H](C)C(=O)NC[C@@H](O)C[NH3+] 1354296192 1170547253 /nfs/dbraw/zinc/54/72/53/1170547253.db2.gz BVWXJMSPKKOAHT-RQJHMYQMSA-N 2 0 189.259 -1.580 20 0 AAADRP C[C@@H](C[NH3+])C(=O)N[C@@H]1C[NH2+]C[C@@H]1O 1354344275 1170547577 /nfs/dbraw/zinc/54/75/77/1170547577.db2.gz VSQUDSYYZMWBRQ-XVMARJQXSA-N 2 0 187.243 -1.970 20 0 AAADRP C[NH2+]C[C@H](C)NC(=O)C[C@H](O)C[NH3+] 1354331402 1170547776 /nfs/dbraw/zinc/54/77/76/1170547776.db2.gz XFVIOLXAVCANDT-BQBZGAKWSA-N 2 0 189.259 -1.580 20 0 AAADRP CC[C@H]([NH3+])C(=O)NCC1(O)C[NH2+]C1 1354224034 1170547884 /nfs/dbraw/zinc/54/78/84/1170547884.db2.gz PEQISQMTNXLXCA-LURJTMIESA-N 2 0 187.243 -1.826 20 0 AAADRP [NH3+]CCCC(=O)NCC1(O)C[NH2+]C1 1354223888 1170547961 /nfs/dbraw/zinc/54/79/61/1170547961.db2.gz OAWAETAAQHFJIR-UHFFFAOYSA-N 2 0 187.243 -1.824 20 0 AAADRP C[NH2+]C[C@@H](C)NC(=O)C[C@H](O)C[NH3+] 1354331410 1170548402 /nfs/dbraw/zinc/54/84/02/1170548402.db2.gz XFVIOLXAVCANDT-RQJHMYQMSA-N 2 0 189.259 -1.580 20 0 AAADRP C[NH2+]C[C@@H](C)NC(=O)C[C@@H](O)C[NH3+] 1354331408 1170548468 /nfs/dbraw/zinc/54/84/68/1170548468.db2.gz XFVIOLXAVCANDT-RNFRBKRXSA-N 2 0 189.259 -1.580 20 0 AAADRP CC[NH2+][C@H](C)C(=O)NC[C@H](O)C[NH3+] 1354296190 1170548506 /nfs/dbraw/zinc/54/85/06/1170548506.db2.gz BVWXJMSPKKOAHT-RNFRBKRXSA-N 2 0 189.259 -1.580 20 0 AAADRP C1COC[C@H](NCC2C[NH2+]C2)C[NH2+]1 1354237388 1170548513 /nfs/dbraw/zinc/54/85/13/1170548513.db2.gz RYNXZICAQRKLFU-SECBINFHSA-N 2 0 185.271 -1.216 20 0 AAADRP [NH3+][C@H](CO)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 1354473778 1170548622 /nfs/dbraw/zinc/54/86/22/1170548622.db2.gz BPJLGYWNHLAWEJ-LYFYHCNISA-N 2 0 185.227 -2.121 20 0 AAADRP C[C@H](C[NH3+])C(=O)N[C@@H]1C[NH2+]C[C@@H]1O 1354344274 1170548639 /nfs/dbraw/zinc/54/86/39/1170548639.db2.gz VSQUDSYYZMWBRQ-QYNIQEEDSA-N 2 0 187.243 -1.970 20 0 AAADRP [NH3+]CC(=O)N[C@@H]1C[NH2+]C[C@@H]1O 1354330443 1170548755 /nfs/dbraw/zinc/54/87/55/1170548755.db2.gz KUVUKDLDGVBLBA-UHNVWZDZSA-N 2 0 159.189 -2.606 20 0 AAADRP C1COC[C@@H](NCC2C[NH2+]C2)C[NH2+]1 1354237424 1170548826 /nfs/dbraw/zinc/54/88/26/1170548826.db2.gz RYNXZICAQRKLFU-VIFPVBQESA-N 2 0 185.271 -1.216 20 0 AAADRP O=C(N[C@H]1C[NH2+]C[C@H]1O)[C@@H]1CCC[NH2+]1 1354331457 1170548836 /nfs/dbraw/zinc/54/88/36/1170548836.db2.gz XVWMZLWFHOUIHN-BIIVOSGPSA-N 2 0 199.254 -1.813 20 0 AAADRP [NH3+][C@H]1CCCN(C(=O)[C@H]([NH3+])CO)C1 1354791898 1170551458 /nfs/dbraw/zinc/55/14/58/1170551458.db2.gz HYMFMQKQEPPINF-NKWVEPMBSA-N 2 0 187.243 -1.744 20 0 AAADRP [NH3+]C1(CNC(=O)C2(O)C[NH2+]C2)CC1 1355297545 1170553463 /nfs/dbraw/zinc/55/34/63/1170553463.db2.gz FHXCUDKSDFNBBP-UHFFFAOYSA-N 2 0 185.227 -2.072 20 0 AAADRP C[C@@H]1CN(C(=O)[C@H]([NH3+])CO)C[C@H]1[NH3+] 1355077596 1170554194 /nfs/dbraw/zinc/55/41/94/1170554194.db2.gz PAMBZQPDAZPXBS-FSDSQADBSA-N 2 0 187.243 -1.888 20 0 AAADRP C[C@H]1C[NH2+]CCN1C(=O)[C@H]([NH3+])CO 1356498881 1170557591 /nfs/dbraw/zinc/55/75/91/1170557591.db2.gz KQKFMIXVJHZXIP-NKWVEPMBSA-N 2 0 187.243 -1.874 20 0 AAADRP CC[NH2+]CCCNC(=O)[C@H]([NH3+])CO 1356499253 1170558220 /nfs/dbraw/zinc/55/82/20/1170558220.db2.gz OFECQKLWTWTXTM-SSDOTTSWSA-N 2 0 189.259 -1.578 20 0 AAADRP [NH3+][C@H]1C[C@H](NC(=O)[C@H]2C[NH2+]CCO2)C1 1356433911 1170558607 /nfs/dbraw/zinc/55/86/07/1170558607.db2.gz RLDAUGGAFSIOJG-BWZBUEFSSA-N 2 0 199.254 -1.419 20 0 AAADRP CC(C)([NH3+])C(=O)N[C@@H]1C[NH2+]C[C@@H]1O 1357890100 1170561363 /nfs/dbraw/zinc/56/13/63/1170561363.db2.gz OYUPUQGEAHRVQX-RITPCOANSA-N 2 0 187.243 -1.827 20 0 AAADRP CN(CC(C)(C)[NH3+])C(=O)[C@H]([NH3+])CO 1357823669 1170561448 /nfs/dbraw/zinc/56/14/48/1170561448.db2.gz BVCOUJZJXSEEPF-ZCFIWIBFSA-N 2 0 189.259 -1.498 20 0 AAADRP C[NH2+][C@@H](C)C(=O)N[C@@H]1C[NH2+]C[C@@H]1O 1357890294 1170561619 /nfs/dbraw/zinc/56/16/19/1170561619.db2.gz SJMFSHCAIJGUMQ-XVMARJQXSA-N 2 0 187.243 -1.957 20 0 AAADRP CN(CCC[NH3+])C(=O)C[C@H](O)C[NH3+] 1357765121 1170561702 /nfs/dbraw/zinc/56/17/02/1170561702.db2.gz WXWYTJBGAQKLOR-ZETCQYMHSA-N 2 0 189.259 -1.497 20 0 AAADRP CN(CCC[NH3+])C(=O)C[C@@H](O)C[NH3+] 1357765118 1170561787 /nfs/dbraw/zinc/56/17/87/1170561787.db2.gz WXWYTJBGAQKLOR-SSDOTTSWSA-N 2 0 189.259 -1.497 20 0 AAADRP CC(C)[NH2+]CC(=O)NC[C@@H](O)C[NH3+] 1357866550 1170561964 /nfs/dbraw/zinc/56/19/64/1170561964.db2.gz ZKLUPCZJBFIPRS-ZETCQYMHSA-N 2 0 189.259 -1.580 20 0 AAADRP CC(C)[NH2+]CC(=O)NC[C@H](O)C[NH3+] 1357866549 1170562176 /nfs/dbraw/zinc/56/21/76/1170562176.db2.gz ZKLUPCZJBFIPRS-SSDOTTSWSA-N 2 0 189.259 -1.580 20 0 AAADRP C[C@H]([NH3+])CCNC(=O)CNCC[NH3+] 1357910825 1170562609 /nfs/dbraw/zinc/56/26/09/1170562609.db2.gz RBUMAOHNQFSFGB-ZETCQYMHSA-N 2 0 188.275 -1.612 20 0 AAADRP [NH3+]CCNCC(=O)N[C@H]1C[C@H]([NH3+])C1 1515625793 1170611198 /nfs/dbraw/zinc/61/11/98/1170611198.db2.gz DHQAJGAXIPHFOP-LJGSYFOKSA-N 2 0 186.259 -1.859 20 0 AAADRP C[C@@H](CNC(=O)[C@H]([NH3+])CO)[NH+](C)C 1521454364 1170624345 /nfs/dbraw/zinc/62/43/45/1170624345.db2.gz HYHSQVUMOZVWLK-NKWVEPMBSA-N 2 0 189.259 -1.628 20 0 AAADRP C[C@H](CNC(=O)[C@H]([NH3+])CO)[NH+](C)C 1521454365 1170625467 /nfs/dbraw/zinc/62/54/67/1170625467.db2.gz HYHSQVUMOZVWLK-RNFRBKRXSA-N 2 0 189.259 -1.628 20 0 AAADRP CN(CC[NH3+])C(=O)[C@@H]([NH3+])C(C)(C)O 1521698699 1170626465 /nfs/dbraw/zinc/62/64/65/1170626465.db2.gz UPNKRINKLRWZFA-ZCFIWIBFSA-N 2 0 189.259 -1.498 20 0 AAADRP O=C(NCC1(O)C[NH2+]C1)[C@@H]1CCC[NH2+]1 1521918598 1170627363 /nfs/dbraw/zinc/62/73/63/1170627363.db2.gz MJNDJNGATVKZCB-ZETCQYMHSA-N 2 0 199.254 -1.811 20 0 AAADRP [NH3+]CCC(=O)NCC1(O)C[NH2+]C1 1521919593 1170627823 /nfs/dbraw/zinc/62/78/23/1170627823.db2.gz TWFAFTXTYZZYFE-UHFFFAOYSA-N 2 0 173.216 -2.214 20 0 AAADRP [NH3+]C1(C(=O)NCC2(O)C[NH2+]C2)CC1 1521919255 1170628157 /nfs/dbraw/zinc/62/81/57/1170628157.db2.gz PZYRSHOAUKLLHP-UHFFFAOYSA-N 2 0 185.227 -2.072 20 0 AAADRP O=C(NCC1(O)C[NH2+]C1)[C@H]1CCC[NH2+]1 1521918593 1170628239 /nfs/dbraw/zinc/62/82/39/1170628239.db2.gz MJNDJNGATVKZCB-SSDOTTSWSA-N 2 0 199.254 -1.811 20 0 AAADRP CC[C@@H]([NH3+])C(=O)N[C@@H]1C[NH2+]C[C@@H]1O 1522082926 1170628930 /nfs/dbraw/zinc/62/89/30/1170628930.db2.gz JTNJKQUONPJWDP-QYNIQEEDSA-N 2 0 187.243 -1.827 20 0 AAADRP C[C@@H]([NH3+])CC(=O)N[C@@H]1C[NH2+]C[C@@H]1O 1522085773 1170629460 /nfs/dbraw/zinc/62/94/60/1170629460.db2.gz VVQXNZCGYMKTLD-QYNIQEEDSA-N 2 0 187.243 -1.827 20 0 AAADRP C[NH2+]C[C@H](C)NC(=O)[C@@H]([NH3+])COC 1522084874 1170629513 /nfs/dbraw/zinc/62/95/13/1170629513.db2.gz TUNLVKAOUCGZKJ-BQBZGAKWSA-N 2 0 189.259 -1.316 20 0 AAADRP C[NH2+]C[C@H](C)NC(=O)[C@H]([NH3+])CO 1522084529 1170629677 /nfs/dbraw/zinc/62/96/77/1170629677.db2.gz QUJAWPKANCTLDI-NTSWFWBYSA-N 2 0 175.232 -1.970 20 0 AAADRP C[NH2+]C[C@@H](C)NC(=O)[C@@H]([NH3+])COC 1522084883 1170629776 /nfs/dbraw/zinc/62/97/76/1170629776.db2.gz TUNLVKAOUCGZKJ-RQJHMYQMSA-N 2 0 189.259 -1.316 20 0 AAADRP C[NH2+]C[C@@H](C)NC(=O)[C@H]([NH3+])CO 1522084535 1170630493 /nfs/dbraw/zinc/63/04/93/1170630493.db2.gz QUJAWPKANCTLDI-PHDIDXHHSA-N 2 0 175.232 -1.970 20 0 AAADRP CC[NH2+]CC(=O)N[C@@H]1C[NH2+]C[C@@H]1O 1522082870 1170630528 /nfs/dbraw/zinc/63/05/28/1170630528.db2.gz JBCBSLFLVZHBID-RQJHMYQMSA-N 2 0 187.243 -1.955 20 0 AAADRP O[C@@H]1C[NH2+]C[C@@H]1N1C[C@@H]2C[NH2+]C[C@@H]2C1 1574439623 1170682508 /nfs/dbraw/zinc/68/25/08/1170682508.db2.gz BTRJXAZDNFOGGD-QCLAVDOMSA-N 2 0 197.282 -1.530 20 0 AAADRP O[C@@H]1C[NH2+]C[C@@H]1N1C[C@H]2C[NH2+]C[C@@H]2C1 1574439622 1170683039 /nfs/dbraw/zinc/68/30/39/1170683039.db2.gz BTRJXAZDNFOGGD-DOLQZWNJSA-N 2 0 197.282 -1.530 20 0 AAADRP OC[C@]12C[C@H]1CN([C@@H]1C[NH2+]C[C@H]1O)C2 1574440621 1170683379 /nfs/dbraw/zinc/68/33/79/1170683379.db2.gz ZSHNOGSMFYXMQE-SGIHWFKDSA-N 2 0 198.266 -1.367 20 0 AAADRP O[C@@H]1C[NH2+]C[C@@H]1N1C[C@@H]2C[NH2+]C[C@H]2C1 1574439621 1170683560 /nfs/dbraw/zinc/68/35/60/1170683560.db2.gz BTRJXAZDNFOGGD-AATLWQCWSA-N 2 0 197.282 -1.530 20 0 AAADRP OC[C@]12C[C@H]1CN([C@H]1C[NH2+]C[C@H]1O)C2 1574440620 1170683998 /nfs/dbraw/zinc/68/39/98/1170683998.db2.gz ZSHNOGSMFYXMQE-AXTSPUMRSA-N 2 0 198.266 -1.367 20 0 AAADRP C[C@@H](CCO)[NH2+]C[C@H]1C[NH2+]C[C@H]1O 1575967967 1170690716 /nfs/dbraw/zinc/69/07/16/1170690716.db2.gz QVIDCTMAPCYHQM-DJLDLDEBSA-N 2 0 188.271 -1.073 20 0 AAADRP C[C@H](CCO)[NH2+]C[C@H]1C[NH2+]C[C@H]1O 1575967968 1170690835 /nfs/dbraw/zinc/69/08/35/1170690835.db2.gz QVIDCTMAPCYHQM-IWSPIJDZSA-N 2 0 188.271 -1.073 20 0 AAADRP C[NH+](C)CCONC(=O)[C@H]1C[C@H]1[NH3+] 1578419679 1170723370 /nfs/dbraw/zinc/72/33/70/1170723370.db2.gz ZNEKFOKECZKXLY-NKWVEPMBSA-N 2 0 187.243 -1.057 20 0 AAADRP [NH3+]CC(=O)N1CC([NH2+][C@H]2CCOC2)C1 1580207737 1170749702 /nfs/dbraw/zinc/74/97/02/1170749702.db2.gz YGZCCPNCKHLAEI-ZETCQYMHSA-N 2 0 199.254 -1.466 20 0 AAADRP [NH3+]CC(=O)N1CC([NH2+][C@@H]2CCOC2)C1 1580207735 1170750057 /nfs/dbraw/zinc/75/00/57/1170750057.db2.gz YGZCCPNCKHLAEI-SSDOTTSWSA-N 2 0 199.254 -1.466 20 0 AAADRP Nc1nc(NC[C@H]2CC[NH2+]2)nc(N)[nH+]1 1580468480 1170761121 /nfs/dbraw/zinc/76/11/21/1170761121.db2.gz BPDPIXOZVCABPQ-SCSAIBSYSA-N 2 0 195.230 -1.190 20 0 AAADRP Nc1nc(NC[C@@H]2CC[NH2+]2)nc(N)[nH+]1 1580468474 1170761583 /nfs/dbraw/zinc/76/15/83/1170761583.db2.gz BPDPIXOZVCABPQ-BYPYZUCNSA-N 2 0 195.230 -1.190 20 0 AAADRP