smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name N[C@@H](CCCC[NH3+])C(=O)N1CCSC1 ZINC000013529424 181378905 /nfs/dbraw/zinc/37/89/05/181378905.db2.gz OIOCYLDAIBUSNI-QMMMGPOBSA-N 1 3 217.338 -0.024 10 0 BBAEHO N[C@@H](CCCC[NH3+])C(=O)N1CC[C@@H](O)C1 ZINC000013529452 181378083 /nfs/dbraw/zinc/37/80/83/181378083.db2.gz PEJHUYTWYJXSMC-BDAKNGLRSA-N 1 3 215.297 -0.964 10 0 BBAEHO N[C@@H](CCCC[NH3+])C(=O)N1CC[C@H](O)C1 ZINC000013529455 181378343 /nfs/dbraw/zinc/37/83/43/181378343.db2.gz PEJHUYTWYJXSMC-IUCAKERBSA-N 1 3 215.297 -0.964 10 0 BBAEHO N[C@@H](CCC[NH3+])C(=O)N1CCSC1 ZINC000013529550 181385865 /nfs/dbraw/zinc/38/58/65/181385865.db2.gz UUHJOLDDPKIPEA-ZETCQYMHSA-N 1 3 203.311 -0.415 10 0 BBAEHO CN1CCN2CCN(CC1)CC[NH+](C)CC2 ZINC000019365734 343561681 /nfs/dbraw/zinc/56/16/81/343561681.db2.gz FFQWAXLMZUGNEC-UHFFFAOYSA-N 1 3 226.368 -0.519 10 0 BBAEHO [NH3+]CCCC(=O)N[C@@H]1CN2CCC1CC2 ZINC000019487952 181372876 /nfs/dbraw/zinc/37/28/76/181372876.db2.gz RDZMVOYBLPXPMR-SNVBAGLBSA-N 1 3 211.309 -0.064 10 0 BBAEHO [NH3+]CCCC(=O)N[C@H]1CN2CCC1CC2 ZINC000019487954 181372673 /nfs/dbraw/zinc/37/26/73/181372673.db2.gz RDZMVOYBLPXPMR-JTQLQIEISA-N 1 3 211.309 -0.064 10 0 BBAEHO CCCN1CCN(C[C@@H](O)C[NH2+]C)CC1 ZINC000019864013 169202571 /nfs/dbraw/zinc/20/25/71/169202571.db2.gz BKVFEYNNWSXARE-NSHDSACASA-N 1 3 215.341 -0.406 10 0 BBAEHO CCCN1CCN(C[C@H](O)C[NH2+]C)CC1 ZINC000019864016 169202406 /nfs/dbraw/zinc/20/24/06/169202406.db2.gz BKVFEYNNWSXARE-LLVKDONJSA-N 1 3 215.341 -0.406 10 0 BBAEHO C[NH2+]C[C@@H](O)CN1CCCN(C)CC1 ZINC000020217570 173364539 /nfs/dbraw/zinc/36/45/39/173364539.db2.gz CVYPDBYMWLJWSF-SNVBAGLBSA-N 1 3 201.314 -0.796 10 0 BBAEHO C[NH2+]C[C@H](O)CN1CCCN(C)CC1 ZINC000020217571 173376558 /nfs/dbraw/zinc/37/65/58/173376558.db2.gz CVYPDBYMWLJWSF-JTQLQIEISA-N 1 3 201.314 -0.796 10 0 BBAEHO CN1CCCN([C@@H](C[NH3+])[C@@H]2CCOC2)CC1 ZINC000020217700 173017407 /nfs/dbraw/zinc/01/74/07/173017407.db2.gz LWNGPFHTMLRFMC-NEPJUHHUSA-N 1 3 227.352 -0.012 10 0 BBAEHO C[C@@H](C(=O)NCCC[NH+](C)C)N1CCNCC1 ZINC000020269914 175613514 /nfs/dbraw/zinc/61/35/14/175613514.db2.gz AGAJLKLZQBTEFH-NSHDSACASA-N 1 3 242.367 -0.652 10 0 BBAEHO CN1CCN(CCN2CC[NH2+]CC2)CC1 ZINC000020270230 173083794 /nfs/dbraw/zinc/08/37/94/173083794.db2.gz OLEPFFNHBIVUAI-UHFFFAOYSA-N 1 3 212.341 -0.861 10 0 BBAEHO CN1CCN([C@@]2(C[NH3+])CN3CCC2CC3)CC1 ZINC000020442121 173095602 /nfs/dbraw/zinc/09/56/02/173095602.db2.gz FDPYFEVVOFDUQS-ZDUSSCGKSA-N 1 3 238.379 -0.343 10 0 BBAEHO CN1CCN([C@]2(C[NH3+])CN3CCC2CC3)CC1 ZINC000020442126 173094010 /nfs/dbraw/zinc/09/40/10/173094010.db2.gz FDPYFEVVOFDUQS-CYBMUJFWSA-N 1 3 238.379 -0.343 10 0 BBAEHO CCCN1CCN(C[C@@H](O)C[NH3+])CC1 ZINC000022175417 169202588 /nfs/dbraw/zinc/20/25/88/169202588.db2.gz WYVLKUMVKUJOTJ-JTQLQIEISA-N 1 3 201.314 -0.666 10 0 BBAEHO CCCN1CCN(C[C@H](O)C[NH3+])CC1 ZINC000022175419 169202364 /nfs/dbraw/zinc/20/23/64/169202364.db2.gz WYVLKUMVKUJOTJ-SNVBAGLBSA-N 1 3 201.314 -0.666 10 0 BBAEHO N[C@H](CCCC[NH3+])C(=O)N1CC[C@@H](O)C1 ZINC000027553263 181378727 /nfs/dbraw/zinc/37/87/27/181378727.db2.gz PEJHUYTWYJXSMC-RKDXNWHRSA-N 1 3 215.297 -0.964 10 0 BBAEHO N[C@H](CCCC[NH3+])C(=O)N1CC[C@H](O)C1 ZINC000027553265 181378964 /nfs/dbraw/zinc/37/89/64/181378964.db2.gz PEJHUYTWYJXSMC-DTWKUNHWSA-N 1 3 215.297 -0.964 10 0 BBAEHO N[C@H](CCC[NH3+])C(=O)N1CCSC1 ZINC000027558483 181384294 /nfs/dbraw/zinc/38/42/94/181384294.db2.gz UUHJOLDDPKIPEA-SSDOTTSWSA-N 1 3 203.311 -0.415 10 0 BBAEHO N[C@H](CCCC[NH3+])C(=O)N1CCSC1 ZINC000027558485 181378898 /nfs/dbraw/zinc/37/88/98/181378898.db2.gz OIOCYLDAIBUSNI-MRVPVSSYSA-N 1 3 217.338 -0.024 10 0 BBAEHO NC(=[NH2+])NCCN1CCCOCCC1 ZINC000033877969 181189122 /nfs/dbraw/zinc/18/91/22/181189122.db2.gz CRIAOOSVWYQSRS-UHFFFAOYSA-N 1 3 200.286 -0.418 10 0 BBAEHO C1CN2CCN1CCCNCC[NH2+]CCC2 ZINC000034146527 360455961 /nfs/dbraw/zinc/45/59/61/360455961.db2.gz TWMXRTUIOCTFNL-UHFFFAOYSA-N 1 3 226.368 -0.423 10 0 BBAEHO c1cc2nc(c1)CNCC[NH2+]CCNCCNC2 ZINC000034395940 183376877 /nfs/dbraw/zinc/37/68/77/183376877.db2.gz UJPWFBPXKOLBJT-UHFFFAOYSA-N 1 3 249.362 -0.546 10 0 BBAEHO CN1CCCN([C@@H]2COCC[C@@H]2[NH3+])CC1 ZINC000036305300 173018050 /nfs/dbraw/zinc/01/80/50/173018050.db2.gz QLJXRKKVXZBUPZ-WDEREUQCSA-N 1 3 213.325 -0.260 10 0 BBAEHO NC(=O)N1CCCN(CCCC[NH3+])CC1 ZINC000037039354 181376318 /nfs/dbraw/zinc/37/63/18/181376318.db2.gz ANVZZNXSCBMTMW-UHFFFAOYSA-N 1 3 214.313 -0.188 10 0 BBAEHO CNC(=O)CN1CCCN(CCCC[NH3+])CC1 ZINC000037039933 173273836 /nfs/dbraw/zinc/27/38/36/173273836.db2.gz BOIGJCSAEUZQNY-UHFFFAOYSA-N 1 3 242.367 -0.521 10 0 BBAEHO NC(=O)CCN1CCN(CCCCC[NH3+])CC1 ZINC000037049323 181375435 /nfs/dbraw/zinc/37/54/35/181375435.db2.gz AVGWWVLDGOOOFC-UHFFFAOYSA-N 1 3 242.367 -0.392 10 0 BBAEHO [NH3+]CCCCCN1CCN(CCO)CC1 ZINC000037049362 181375228 /nfs/dbraw/zinc/37/52/28/181375228.db2.gz JYXMOMSCGPDKFN-UHFFFAOYSA-N 1 3 215.341 -0.275 10 0 BBAEHO NC(=O)CN1CCCN(CCCCC[NH3+])CC1 ZINC000037049381 181375184 /nfs/dbraw/zinc/37/51/84/181375184.db2.gz MWXZUKMYXSFEQN-UHFFFAOYSA-N 1 3 242.367 -0.392 10 0 BBAEHO NCCC[NH2+]C1CCS(=O)(=O)CC1 ZINC000037713621 181382285 /nfs/dbraw/zinc/38/22/85/181382285.db2.gz SKYUQRHQRXXTDG-UHFFFAOYSA-N 1 3 206.311 -0.498 10 0 BBAEHO NCCC[NH2+]C1CCN(C(N)=O)CC1 ZINC000037713823 181382353 /nfs/dbraw/zinc/38/23/53/181382353.db2.gz SQGIRSJZLBIEOK-UHFFFAOYSA-N 1 3 200.286 -0.532 10 0 BBAEHO COCCCN1CCN(CC[NH3+])CC1 ZINC000037753580 174230714 /nfs/dbraw/zinc/23/07/14/174230714.db2.gz KWJMMNYIEQLUBE-UHFFFAOYSA-N 1 3 201.314 -0.401 10 0 BBAEHO NCC(=O)N1CCC[N@@H+](C[C@H]2CCCO2)CC1 ZINC000037822907 181348518 /nfs/dbraw/zinc/34/85/18/181348518.db2.gz WAAPINPAEHQKBV-LLVKDONJSA-N 1 3 241.335 -0.342 10 0 BBAEHO NCC(=O)N1CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC000037822907 181348516 /nfs/dbraw/zinc/34/85/16/181348516.db2.gz WAAPINPAEHQKBV-LLVKDONJSA-N 1 3 241.335 -0.342 10 0 BBAEHO NCC(=O)N1CCC[N@@H+](C[C@@H]2CCCO2)CC1 ZINC000037822908 181347563 /nfs/dbraw/zinc/34/75/63/181347563.db2.gz WAAPINPAEHQKBV-NSHDSACASA-N 1 3 241.335 -0.342 10 0 BBAEHO NCC(=O)N1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000037822908 181347560 /nfs/dbraw/zinc/34/75/60/181347560.db2.gz WAAPINPAEHQKBV-NSHDSACASA-N 1 3 241.335 -0.342 10 0 BBAEHO CC(C)(CO)NC[C@H](O)C[NH+]1CCCC1 ZINC000037888246 712780911 /nfs/dbraw/zinc/78/09/11/712780911.db2.gz GPSISJGEFFTDIJ-JTQLQIEISA-N 1 3 216.325 -0.196 10 0 BBAEHO CC(C)(CO)NC[C@@H](O)C[NH+]1CCCC1 ZINC000037888247 712780813 /nfs/dbraw/zinc/78/08/13/712780813.db2.gz GPSISJGEFFTDIJ-SNVBAGLBSA-N 1 3 216.325 -0.196 10 0 BBAEHO CN(C)C(=O)CCN1CCN(CCC[NH3+])CC1 ZINC000037897739 172357851 /nfs/dbraw/zinc/35/78/51/172357851.db2.gz YEKFDPAUYUJYGQ-UHFFFAOYSA-N 1 3 242.367 -0.569 10 0 BBAEHO C[N@H+]1CC[C@H](C(=O)N2CCCNCC2)C1 ZINC000037996398 173140485 /nfs/dbraw/zinc/14/04/85/173140485.db2.gz CCVASTWCIYYFMB-JTQLQIEISA-N 1 3 211.309 -0.240 10 0 BBAEHO C[N@@H+]1CC[C@H](C(=O)N2CCCNCC2)C1 ZINC000037996398 173140481 /nfs/dbraw/zinc/14/04/81/173140481.db2.gz CCVASTWCIYYFMB-JTQLQIEISA-N 1 3 211.309 -0.240 10 0 BBAEHO C[N@H+]1CC[C@@H](C(=O)N2CCCNCC2)C1 ZINC000037996399 173110450 /nfs/dbraw/zinc/11/04/50/173110450.db2.gz CCVASTWCIYYFMB-SNVBAGLBSA-N 1 3 211.309 -0.240 10 0 BBAEHO C[N@@H+]1CC[C@@H](C(=O)N2CCCNCC2)C1 ZINC000037996399 173110448 /nfs/dbraw/zinc/11/04/48/173110448.db2.gz CCVASTWCIYYFMB-SNVBAGLBSA-N 1 3 211.309 -0.240 10 0 BBAEHO C[N@@H+]1[C@@H]2CC[C@H]1CC(CNC(=O)CN)C2 ZINC000038019342 173207151 /nfs/dbraw/zinc/20/71/51/173207151.db2.gz UQAPMMIRQVUUDN-PBINXNQUSA-N 1 3 211.309 -0.066 10 0 BBAEHO C[N@H+]1[C@@H]2CC[C@H]1CC(CNC(=O)CN)C2 ZINC000038019342 173207149 /nfs/dbraw/zinc/20/71/49/173207149.db2.gz UQAPMMIRQVUUDN-PBINXNQUSA-N 1 3 211.309 -0.066 10 0 BBAEHO CN1CCN(CCC[NH2+]C2CCNCC2)CC1 ZINC000038040676 173080708 /nfs/dbraw/zinc/08/07/08/173080708.db2.gz MNRKFMTWCUILRK-UHFFFAOYSA-N 1 3 240.395 -0.035 10 0 BBAEHO NC(=O)CN1CCC(NC2CC[NH2+]CC2)CC1 ZINC000038041385 181231538 /nfs/dbraw/zinc/23/15/38/181231538.db2.gz YSOCSBSEJJEOMP-UHFFFAOYSA-N 1 3 240.351 -0.722 10 0 BBAEHO NC(=O)CN1CCC([NH2+]C2CCNCC2)CC1 ZINC000038041385 181231535 /nfs/dbraw/zinc/23/15/35/181231535.db2.gz YSOCSBSEJJEOMP-UHFFFAOYSA-N 1 3 240.351 -0.722 10 0 BBAEHO CN1CCN(CCNC2CC[NH2+]CC2)CC1 ZINC000038041479 173082013 /nfs/dbraw/zinc/08/20/13/173082013.db2.gz DBSFWBXHVNRBQW-UHFFFAOYSA-N 1 3 226.368 -0.425 10 0 BBAEHO C([NH2+]C1CCNCC1)[C@@H]1COCCO1 ZINC000038061182 386119040 /nfs/dbraw/zinc/11/90/40/386119040.db2.gz ITIQBBYACBVSMV-SNVBAGLBSA-N 1 3 200.282 -0.257 10 0 BBAEHO C([NH2+]C1CCNCC1)[C@H]1COCCO1 ZINC000038061183 386118094 /nfs/dbraw/zinc/11/80/94/386118094.db2.gz ITIQBBYACBVSMV-JTQLQIEISA-N 1 3 200.282 -0.257 10 0 BBAEHO [NH3+]C[C@@H]1CCN(C[C@@H]2COCCO2)C1 ZINC000038062685 386117879 /nfs/dbraw/zinc/11/78/79/386117879.db2.gz HVZNRJHDFVDWIA-VHSXEESVSA-N 1 3 200.282 -0.318 10 0 BBAEHO [NH3+]C[C@H]1CCN(C[C@@H]2COCCO2)C1 ZINC000038062686 386118598 /nfs/dbraw/zinc/11/85/98/386118598.db2.gz HVZNRJHDFVDWIA-NXEZZACHSA-N 1 3 200.282 -0.318 10 0 BBAEHO CN1C[C@H]2CC[C@@H](C1)N2CCNC(N)=[NH2+] ZINC000039109062 173188596 /nfs/dbraw/zinc/18/85/96/173188596.db2.gz CDQIQHBYYDSRLB-DTORHVGOSA-N 1 3 211.313 -0.752 10 0 BBAEHO CN(C)C[C@]1(C)OC[C@@H](C[NH+](C)C)[C@H]1O ZINC000039109805 386146829 /nfs/dbraw/zinc/14/68/29/386146829.db2.gz QPPJWHSBSSEEGG-MXWKQRLJSA-N 1 3 216.325 -0.124 10 0 BBAEHO CN(C)C[C@@]1(C)OC[C@@H](C[NH+](C)C)[C@H]1O ZINC000039109806 386146906 /nfs/dbraw/zinc/14/69/06/386146906.db2.gz QPPJWHSBSSEEGG-GMTAPVOTSA-N 1 3 216.325 -0.124 10 0 BBAEHO CN(C)C[C@]1(C)OC[C@@H](C[NH+](C)C)[C@@H]1O ZINC000039109807 386146369 /nfs/dbraw/zinc/14/63/69/386146369.db2.gz QPPJWHSBSSEEGG-VWYCJHECSA-N 1 3 216.325 -0.124 10 0 BBAEHO CN(C)C[C@@]1(C)OC[C@@H](C[NH+](C)C)[C@@H]1O ZINC000039109808 386146788 /nfs/dbraw/zinc/14/67/88/386146788.db2.gz QPPJWHSBSSEEGG-OUAUKWLOSA-N 1 3 216.325 -0.124 10 0 BBAEHO CO[C@H]1C[NH2+][C@@H](C(=O)NCCN2CCCC2)C1 ZINC000040631846 410883415 /nfs/dbraw/zinc/88/34/15/410883415.db2.gz SBDYJGZMYMQDCE-GHMZBOCLSA-N 1 3 241.335 -0.425 10 0 BBAEHO CO[C@H]1C[NH2+][C@@H](C(=O)N2CCCNCC2)C1 ZINC000040631931 410884051 /nfs/dbraw/zinc/88/40/51/410884051.db2.gz BGOKSZBXLFEVGK-NXEZZACHSA-N 1 3 227.308 -0.815 10 0 BBAEHO OCC1([NH2+]C[C@H]2CCCO2)CCNCC1 ZINC000040695506 183038402 /nfs/dbraw/zinc/03/84/02/183038402.db2.gz NJCUCKPLCCKTTR-SNVBAGLBSA-N 1 3 214.309 -0.131 10 0 BBAEHO OCC1([NH2+]C[C@@H]2CCCO2)CCNCC1 ZINC000040695508 183038253 /nfs/dbraw/zinc/03/82/53/183038253.db2.gz NJCUCKPLCCKTTR-JTQLQIEISA-N 1 3 214.309 -0.131 10 0 BBAEHO NCC(=O)NC[C@H]([NH3+])Cc1ccccc1 ZINC000040979146 181353532 /nfs/dbraw/zinc/35/35/32/181353532.db2.gz OTXIXYSFGHUGEN-SNVBAGLBSA-N 1 3 207.277 -0.369 10 0 BBAEHO [NH3+]CCN1CCN(C[C@@H]2CCOC2)CC1 ZINC000041045973 181392146 /nfs/dbraw/zinc/39/21/46/181392146.db2.gz WIDZSUADWCCLHQ-NSHDSACASA-N 1 3 213.325 -0.401 10 0 BBAEHO [NH3+]CCN1CCN(C[C@H]2CCOC2)CC1 ZINC000041045974 181391978 /nfs/dbraw/zinc/39/19/78/181391978.db2.gz WIDZSUADWCCLHQ-LLVKDONJSA-N 1 3 213.325 -0.401 10 0 BBAEHO CCCN(CCN(C)C)C(=O)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000041680299 358333952 /nfs/dbraw/zinc/33/39/52/358333952.db2.gz LCUJBYDLEBADQZ-GHMZBOCLSA-N 1 3 243.351 -0.491 10 0 BBAEHO CC(C)(C)N1CCN(C[C@H](O)C[NH3+])CC1 ZINC000042461831 166609925 /nfs/dbraw/zinc/60/99/25/166609925.db2.gz URJSFJHZBZOQBK-SNVBAGLBSA-N 1 3 215.341 -0.278 10 0 BBAEHO [NH3+]CCNC(=O)CN(CCO)C1CCCCC1 ZINC000042500441 181393343 /nfs/dbraw/zinc/39/33/43/181393343.db2.gz MMMDSXOYAORKOE-UHFFFAOYSA-N 1 3 243.351 -0.312 10 0 BBAEHO O[C@@H](C[NH2+]CCn1cccn1)CN1CCCC1 ZINC000042540693 183179567 /nfs/dbraw/zinc/17/95/67/183179567.db2.gz VSDYAFZVCSBNHK-LBPRGKRZSA-N 1 3 238.335 -0.071 10 0 BBAEHO O[C@H](C[NH2+]CCn1cccn1)CN1CCCC1 ZINC000042540695 183224366 /nfs/dbraw/zinc/22/43/66/183224366.db2.gz VSDYAFZVCSBNHK-GFCCVEGCSA-N 1 3 238.335 -0.071 10 0 BBAEHO CN1CC[C@H](NC(=O)C[C@@H]2CCC[NH2+]2)C1 ZINC000042548950 173150365 /nfs/dbraw/zinc/15/03/65/173150365.db2.gz QFEURMQALJEFOD-UWVGGRQHSA-N 1 3 211.309 -0.051 10 0 BBAEHO CN1CC[C@@H](NC(=O)C[C@@H]2CCC[NH2+]2)C1 ZINC000042548953 173121137 /nfs/dbraw/zinc/12/11/37/173121137.db2.gz QFEURMQALJEFOD-VHSXEESVSA-N 1 3 211.309 -0.051 10 0 BBAEHO CN1CC[C@H](NC(=O)C2CC[NH2+]CC2)C1 ZINC000042548979 173150608 /nfs/dbraw/zinc/15/06/08/173150608.db2.gz GIJFIKDREQYYMX-JTQLQIEISA-N 1 3 211.309 -0.194 10 0 BBAEHO CN1CC[C@@H](NC(=O)C2CC[NH2+]CC2)C1 ZINC000042548982 173122534 /nfs/dbraw/zinc/12/25/34/173122534.db2.gz GIJFIKDREQYYMX-SNVBAGLBSA-N 1 3 211.309 -0.194 10 0 BBAEHO CN1CC[C@@H](NC(=O)[C@@H]2CCC[NH2+]C2)C1 ZINC000042548988 173122615 /nfs/dbraw/zinc/12/26/15/173122615.db2.gz DOJNDKYOUBPKNG-NXEZZACHSA-N 1 3 211.309 -0.194 10 0 BBAEHO COCCN(CC(=O)NCC[NH3+])[C@@H](C)C1CC1 ZINC000042614457 174284522 /nfs/dbraw/zinc/28/45/22/174284522.db2.gz HFWQUARAUPNWAG-JTQLQIEISA-N 1 3 243.351 -0.192 10 0 BBAEHO COCCN(CC(=O)NCC[NH3+])[C@H](C)C1CC1 ZINC000042614459 174284980 /nfs/dbraw/zinc/28/49/80/174284980.db2.gz HFWQUARAUPNWAG-SNVBAGLBSA-N 1 3 243.351 -0.192 10 0 BBAEHO NC(=O)[C@H]1CCCN(C2CC[NH2+]CC2)C1 ZINC000043501174 181280493 /nfs/dbraw/zinc/28/04/93/181280493.db2.gz ULPCXODSICRGMI-VIFPVBQESA-N 1 3 211.309 -0.064 10 0 BBAEHO NC(=O)[C@H]1CCC[N@H+](C2CCNCC2)C1 ZINC000043501174 181280492 /nfs/dbraw/zinc/28/04/92/181280492.db2.gz ULPCXODSICRGMI-VIFPVBQESA-N 1 3 211.309 -0.064 10 0 BBAEHO NC(=O)[C@H]1CCC[N@@H+](C2CCNCC2)C1 ZINC000043501174 181280491 /nfs/dbraw/zinc/28/04/91/181280491.db2.gz ULPCXODSICRGMI-VIFPVBQESA-N 1 3 211.309 -0.064 10 0 BBAEHO NC(=O)[C@@H]1CCCN(C2CC[NH2+]CC2)C1 ZINC000043501175 181269782 /nfs/dbraw/zinc/26/97/82/181269782.db2.gz ULPCXODSICRGMI-SECBINFHSA-N 1 3 211.309 -0.064 10 0 BBAEHO NC(=O)[C@@H]1CCC[N@H+](C2CCNCC2)C1 ZINC000043501175 181269780 /nfs/dbraw/zinc/26/97/80/181269780.db2.gz ULPCXODSICRGMI-SECBINFHSA-N 1 3 211.309 -0.064 10 0 BBAEHO NC(=O)[C@@H]1CCC[N@@H+](C2CCNCC2)C1 ZINC000043501175 181269779 /nfs/dbraw/zinc/26/97/79/181269779.db2.gz ULPCXODSICRGMI-SECBINFHSA-N 1 3 211.309 -0.064 10 0 BBAEHO [NH3+]CC1CCN(CC(=O)N2CCC2)CC1 ZINC000044513440 181364759 /nfs/dbraw/zinc/36/47/59/181364759.db2.gz XZGYERAPJQFECS-UHFFFAOYSA-N 1 3 211.309 -0.111 10 0 BBAEHO [NH3+]CC1CCN(C[C@@H]2CNC(=O)O2)CC1 ZINC000044514316 181365264 /nfs/dbraw/zinc/36/52/64/181365264.db2.gz CKSRGTUCXIAMFQ-VIFPVBQESA-N 1 3 213.281 -0.235 10 0 BBAEHO [NH3+]CC1CCN(C[C@H]2CNC(=O)O2)CC1 ZINC000044514318 181365507 /nfs/dbraw/zinc/36/55/07/181365507.db2.gz CKSRGTUCXIAMFQ-SECBINFHSA-N 1 3 213.281 -0.235 10 0 BBAEHO CC[NH2+]CC(=O)N1CCN2CCC[C@@H]2C1 ZINC000044650273 170109823 /nfs/dbraw/zinc/10/98/23/170109823.db2.gz HVWAPPZQIZGIHK-SNVBAGLBSA-N 1 3 211.309 -0.098 10 0 BBAEHO CC[NH2+]CC(=O)N1CCN2CCC[C@H]2C1 ZINC000044650274 170109874 /nfs/dbraw/zinc/10/98/74/170109874.db2.gz HVWAPPZQIZGIHK-JTQLQIEISA-N 1 3 211.309 -0.098 10 0 BBAEHO CC(C)[C@H](CN(C)C)NC(=O)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000049221061 188299028 /nfs/dbraw/zinc/29/90/28/188299028.db2.gz ULHYYZWEVJCKOL-DCAQKATOSA-N 1 3 243.351 -0.588 10 0 BBAEHO CC(C)[C@H](CN(C)C)NC(=O)[C@H]1C[C@H](O)C[NH2+]1 ZINC000049221068 188124603 /nfs/dbraw/zinc/12/46/03/188124603.db2.gz ULHYYZWEVJCKOL-AXFHLTTASA-N 1 3 243.351 -0.588 10 0 BBAEHO CC[NH2+]CCNCCCN1CCN(C)CC1 ZINC000049474658 170115657 /nfs/dbraw/zinc/11/56/57/170115657.db2.gz RHXQYQLCPVZEGH-UHFFFAOYSA-N 1 3 228.384 -0.177 10 0 BBAEHO CCNCC[NH2+]CCCN1CCOCC1 ZINC000049475217 170115291 /nfs/dbraw/zinc/11/52/91/170115291.db2.gz IVBZCRMKVTWACM-UHFFFAOYSA-N 1 3 215.341 -0.092 10 0 BBAEHO C[NH2+]CCNCCCN1CCN(C)CC1 ZINC000049477854 173355755 /nfs/dbraw/zinc/35/57/55/173355755.db2.gz YZJANPDAGBTMGV-UHFFFAOYSA-N 1 3 214.357 -0.567 10 0 BBAEHO CNCC[NH2+]CCCN1CCOCC1 ZINC000049478500 173355866 /nfs/dbraw/zinc/35/58/66/173355866.db2.gz HSNZRJMYVDRNOY-UHFFFAOYSA-N 1 3 201.314 -0.482 10 0 BBAEHO C[NH2+]CCNCCCN1CCOCC1 ZINC000049478500 173355865 /nfs/dbraw/zinc/35/58/65/173355865.db2.gz HSNZRJMYVDRNOY-UHFFFAOYSA-N 1 3 201.314 -0.482 10 0 BBAEHO CNC(=O)NC(=O)[C@H](C)[NH2+][C@@H](C)CCN(C)C ZINC000049557535 173288531 /nfs/dbraw/zinc/28/85/31/173288531.db2.gz BAEOLRVGYCPTAY-IUCAKERBSA-N 1 3 244.339 -0.240 10 0 BBAEHO CNC(=O)NC(=O)[C@H](C)[NH2+][C@H](C)CCN(C)C ZINC000049557536 173288768 /nfs/dbraw/zinc/28/87/68/173288768.db2.gz BAEOLRVGYCPTAY-BDAKNGLRSA-N 1 3 244.339 -0.240 10 0 BBAEHO CNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H](C)CCN(C)C ZINC000049557537 173288006 /nfs/dbraw/zinc/28/80/06/173288006.db2.gz BAEOLRVGYCPTAY-DTWKUNHWSA-N 1 3 244.339 -0.240 10 0 BBAEHO CNC(=O)NC(=O)[C@@H](C)[NH2+][C@H](C)CCN(C)C ZINC000049557538 173288016 /nfs/dbraw/zinc/28/80/16/173288016.db2.gz BAEOLRVGYCPTAY-RKDXNWHRSA-N 1 3 244.339 -0.240 10 0 BBAEHO [NH3+]CCCCN[C@@H]1CCS(=O)(=O)C1 ZINC000049813502 181377290 /nfs/dbraw/zinc/37/72/90/181377290.db2.gz GEBBRDIYHNLKQB-MRVPVSSYSA-N 1 3 206.311 -0.498 10 0 BBAEHO [NH3+]CCCCN[C@H]1CCS(=O)(=O)C1 ZINC000049813503 181377645 /nfs/dbraw/zinc/37/76/45/181377645.db2.gz GEBBRDIYHNLKQB-QMMMGPOBSA-N 1 3 206.311 -0.498 10 0 BBAEHO CCOCCCN1CCN(CC[NH3+])CC1 ZINC000049815897 170373651 /nfs/dbraw/zinc/37/36/51/170373651.db2.gz WGYQAWQSPCVTCO-UHFFFAOYSA-N 1 3 215.341 -0.011 10 0 BBAEHO C[C@@H]1CN(CC2(O)CC[NH2+]CC2)CCO1 ZINC000051015886 176284996 /nfs/dbraw/zinc/28/49/96/176284996.db2.gz UBQBDJLBOHBYFI-SNVBAGLBSA-N 1 3 214.309 -0.178 10 0 BBAEHO C[C@H]1CN(CC2(O)CC[NH2+]CC2)CCO1 ZINC000051015888 177245309 /nfs/dbraw/zinc/24/53/09/177245309.db2.gz UBQBDJLBOHBYFI-JTQLQIEISA-N 1 3 214.309 -0.178 10 0 BBAEHO NC(=O)[C@H]1CCCN1CC1(O)CC[NH2+]CC1 ZINC000051015905 181281970 /nfs/dbraw/zinc/28/19/70/181281970.db2.gz GXOYOENOGILXEI-SECBINFHSA-N 1 3 227.308 -0.949 10 0 BBAEHO NC(=O)[C@@H]1CCCN1CC1(O)CC[NH2+]CC1 ZINC000051015907 181269205 /nfs/dbraw/zinc/26/92/05/181269205.db2.gz GXOYOENOGILXEI-VIFPVBQESA-N 1 3 227.308 -0.949 10 0 BBAEHO C[C@@H]1COCCN1CC1(O)CC[NH2+]CC1 ZINC000051015955 176336446 /nfs/dbraw/zinc/33/64/46/176336446.db2.gz FTUJBVBVPDCFIL-SNVBAGLBSA-N 1 3 214.309 -0.178 10 0 BBAEHO C[C@H]1COCCN1CC1(O)CC[NH2+]CC1 ZINC000051015957 177291027 /nfs/dbraw/zinc/29/10/27/177291027.db2.gz FTUJBVBVPDCFIL-JTQLQIEISA-N 1 3 214.309 -0.178 10 0 BBAEHO NC(=O)[C@@H]1CCCCN1CC1(O)CC[NH2+]CC1 ZINC000051016131 181267452 /nfs/dbraw/zinc/26/74/52/181267452.db2.gz ZJRJXXRJPDMFQN-JTQLQIEISA-N 1 3 241.335 -0.559 10 0 BBAEHO NC(=O)[C@H]1CCCCN1CC1(O)CC[NH2+]CC1 ZINC000051016133 181279609 /nfs/dbraw/zinc/27/96/09/181279609.db2.gz ZJRJXXRJPDMFQN-SNVBAGLBSA-N 1 3 241.335 -0.559 10 0 BBAEHO CN1CCCN(C[C@]2(C[NH3+])CCOC2)CC1 ZINC000051213732 173015835 /nfs/dbraw/zinc/01/58/35/173015835.db2.gz JIVHQQJUBMYVJB-GFCCVEGCSA-N 1 3 227.352 -0.011 10 0 BBAEHO NC(=O)C1CCN(C[C@@H]2CC[NH2+]C2)CC1 ZINC000051889283 181216356 /nfs/dbraw/zinc/21/63/56/181216356.db2.gz HZLGJBIWGBIUCB-SECBINFHSA-N 1 3 211.309 -0.207 10 0 BBAEHO NC(=O)C1CCN(C[C@H]2CC[NH2+]C2)CC1 ZINC000051889284 181216287 /nfs/dbraw/zinc/21/62/87/181216287.db2.gz HZLGJBIWGBIUCB-VIFPVBQESA-N 1 3 211.309 -0.207 10 0 BBAEHO NC(=O)[C@H]1CCCN(C[C@@H]2CC[NH2+]C2)C1 ZINC000051889385 181280817 /nfs/dbraw/zinc/28/08/17/181280817.db2.gz JYTGTXXTYQNGQE-ZJUUUORDSA-N 1 3 211.309 -0.207 10 0 BBAEHO NC(=O)[C@@H]1CCCN(C[C@@H]2CC[NH2+]C2)C1 ZINC000051889387 181268975 /nfs/dbraw/zinc/26/89/75/181268975.db2.gz JYTGTXXTYQNGQE-NXEZZACHSA-N 1 3 211.309 -0.207 10 0 BBAEHO [NH3+]CCN1CCN(CC2CCOCC2)CC1 ZINC000052171479 181392404 /nfs/dbraw/zinc/39/24/04/181392404.db2.gz NBFMDKFGMJCDSC-UHFFFAOYSA-N 1 3 227.352 -0.011 10 0 BBAEHO C[N@H+]1CCCN(CCn2cc(CN)nn2)CC1 ZINC000052424272 173014412 /nfs/dbraw/zinc/01/44/12/173014412.db2.gz XPWMZDMEZBNSMV-UHFFFAOYSA-N 1 3 238.339 -0.626 10 0 BBAEHO C[N@@H+]1CCCN(CCn2cc(CN)nn2)CC1 ZINC000052424272 173014410 /nfs/dbraw/zinc/01/44/10/173014410.db2.gz XPWMZDMEZBNSMV-UHFFFAOYSA-N 1 3 238.339 -0.626 10 0 BBAEHO COCC[C@@H](N)C(=O)N1CCC[NH2+]CC1 ZINC000052791470 174392005 /nfs/dbraw/zinc/39/20/05/174392005.db2.gz OTQQRFJITIYJBP-SECBINFHSA-N 1 3 215.297 -0.828 10 0 BBAEHO COCC[C@H](N)C(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000052808710 632498544 /nfs/dbraw/zinc/49/85/44/632498544.db2.gz RRGOOMGVZJYEDM-MNOVXSKESA-N 1 3 241.335 -0.343 10 0 BBAEHO COCC[C@H](N)C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000052808710 632498539 /nfs/dbraw/zinc/49/85/39/632498539.db2.gz RRGOOMGVZJYEDM-MNOVXSKESA-N 1 3 241.335 -0.343 10 0 BBAEHO COCC[C@@H](N)C(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000052808711 632497744 /nfs/dbraw/zinc/49/77/44/632497744.db2.gz RRGOOMGVZJYEDM-GHMZBOCLSA-N 1 3 241.335 -0.343 10 0 BBAEHO COCC[C@@H](N)C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000052808711 632497740 /nfs/dbraw/zinc/49/77/40/632497740.db2.gz RRGOOMGVZJYEDM-GHMZBOCLSA-N 1 3 241.335 -0.343 10 0 BBAEHO CCN1CCC[C@H](NC(=O)[C@H]([NH3+])CCOC)C1 ZINC000052809583 632498356 /nfs/dbraw/zinc/49/83/56/632498356.db2.gz AGUFEPBBUPZZAC-WDEREUQCSA-N 1 3 243.351 -0.049 10 0 BBAEHO CCN1CCC[C@@H](NC(=O)[C@H]([NH3+])CCOC)C1 ZINC000052809584 632497996 /nfs/dbraw/zinc/49/79/96/632497996.db2.gz AGUFEPBBUPZZAC-GHMZBOCLSA-N 1 3 243.351 -0.049 10 0 BBAEHO COCC[C@@H]([NH3+])C(=O)NC[C@H]1CCCCN1C ZINC000052810248 174391823 /nfs/dbraw/zinc/39/18/23/174391823.db2.gz WNGLQOHMNWKMSB-GHMZBOCLSA-N 1 3 243.351 -0.049 10 0 BBAEHO COCC[C@@H]([NH3+])C(=O)NC[C@@H]1CCCCN1C ZINC000052810249 174391533 /nfs/dbraw/zinc/39/15/33/174391533.db2.gz WNGLQOHMNWKMSB-WDEREUQCSA-N 1 3 243.351 -0.049 10 0 BBAEHO Cc1nnc(N2CC[NH2+]CC2)c(CN)c1C ZINC000052861010 132362572 /nfs/dbraw/zinc/36/25/72/132362572.db2.gz VVHUFYVGIKBKQR-UHFFFAOYSA-N 1 3 221.308 -0.038 10 0 BBAEHO CN(C[C@](C)(N)C(N)=O)[C@@H]1CCC[N@@H+](C)C1 ZINC000053248157 188338895 /nfs/dbraw/zinc/33/88/95/188338895.db2.gz NLZXDGNTADDNAP-KOLCDFICSA-N 1 3 228.340 -0.785 10 0 BBAEHO CN(C[C@](C)(N)C(N)=O)[C@@H]1CCC[N@H+](C)C1 ZINC000053248157 188338893 /nfs/dbraw/zinc/33/88/93/188338893.db2.gz NLZXDGNTADDNAP-KOLCDFICSA-N 1 3 228.340 -0.785 10 0 BBAEHO C[NH2+][C@@H](C)C(=O)N1CCN2CCC[C@@H]2C1 ZINC000054075165 385595115 /nfs/dbraw/zinc/59/51/15/385595115.db2.gz BFPNVAFZVDNIKJ-VHSXEESVSA-N 1 3 211.309 -0.099 10 0 BBAEHO C[NH2+][C@H](C)C(=O)N1CCN2CCC[C@@H]2C1 ZINC000054075166 385595167 /nfs/dbraw/zinc/59/51/67/385595167.db2.gz BFPNVAFZVDNIKJ-NXEZZACHSA-N 1 3 211.309 -0.099 10 0 BBAEHO CN1CC[C@H](NC(=O)CN2CCC[NH2+]CC2)C1 ZINC000061274108 173150875 /nfs/dbraw/zinc/15/08/75/173150875.db2.gz VOGCAXMVODXHBZ-NSHDSACASA-N 1 3 240.351 -0.898 10 0 BBAEHO CN1CC[C@@H](NC(=O)CN2CCC[NH2+]CC2)C1 ZINC000061274109 173121759 /nfs/dbraw/zinc/12/17/59/173121759.db2.gz VOGCAXMVODXHBZ-LLVKDONJSA-N 1 3 240.351 -0.898 10 0 BBAEHO CN1CCN(CCN2CCC[NH2+]CC2)CC1 ZINC000061274902 173082456 /nfs/dbraw/zinc/08/24/56/173082456.db2.gz PMIJDYXBEANMPZ-UHFFFAOYSA-N 1 3 226.368 -0.471 10 0 BBAEHO COCCN(C)CCNC(=O)[C@H]1CCC[NH2+]C1 ZINC000061380542 174277752 /nfs/dbraw/zinc/27/77/52/174277752.db2.gz OFUVKZSDGQEKAB-NSHDSACASA-N 1 3 243.351 -0.320 10 0 BBAEHO COCCN(C)CCNC(=O)[C@](C)([NH3+])C1CC1 ZINC000061380642 174277184 /nfs/dbraw/zinc/27/71/84/174277184.db2.gz IGKHIERYPCRQAQ-GFCCVEGCSA-N 1 3 243.351 -0.192 10 0 BBAEHO COCCN(C)CCNC(=O)[C@@](C)([NH3+])C1CC1 ZINC000061380644 174276974 /nfs/dbraw/zinc/27/69/74/174276974.db2.gz IGKHIERYPCRQAQ-LBPRGKRZSA-N 1 3 243.351 -0.192 10 0 BBAEHO CCC[C@H]([NH3+])C(=O)NCCN(C)CCOC ZINC000061380687 386455754 /nfs/dbraw/zinc/45/57/54/386455754.db2.gz YFHLGLUGSDMGTE-JTQLQIEISA-N 1 3 231.340 -0.192 10 0 BBAEHO CCC[C@@H]([NH3+])C(=O)NCCN(C)CCOC ZINC000061380691 169389360 /nfs/dbraw/zinc/38/93/60/169389360.db2.gz YFHLGLUGSDMGTE-SNVBAGLBSA-N 1 3 231.340 -0.192 10 0 BBAEHO C[NH2+][C@H](C)C(=O)NCCN(C)CCOC ZINC000061380749 384756368 /nfs/dbraw/zinc/75/63/68/384756368.db2.gz JNNQUGPUTNWBDV-SECBINFHSA-N 1 3 217.313 -0.711 10 0 BBAEHO CC[NH2+]C[C@@H](C)C(=O)NCCN(C)CCOC ZINC000061380752 170118728 /nfs/dbraw/zinc/11/87/28/170118728.db2.gz XHOISXAAUUCJPN-LLVKDONJSA-N 1 3 245.367 -0.074 10 0 BBAEHO CC[NH2+]C[C@H](C)C(=O)NCCN(C)CCOC ZINC000061380755 170122268 /nfs/dbraw/zinc/12/22/68/170122268.db2.gz XHOISXAAUUCJPN-NSHDSACASA-N 1 3 245.367 -0.074 10 0 BBAEHO NCC1(C[N@H+]2CC[C@@H](O)C2)CCOCC1 ZINC000061712126 181359063 /nfs/dbraw/zinc/35/90/63/181359063.db2.gz XWDHUWJQCBZENY-SNVBAGLBSA-N 1 3 214.309 -0.192 10 0 BBAEHO NCC1(C[N@@H+]2CC[C@@H](O)C2)CCOCC1 ZINC000061712126 181359061 /nfs/dbraw/zinc/35/90/61/181359061.db2.gz XWDHUWJQCBZENY-SNVBAGLBSA-N 1 3 214.309 -0.192 10 0 BBAEHO [NH3+]CC1(CN2CC[C@@H](O)C2)CCOCC1 ZINC000061712126 181359059 /nfs/dbraw/zinc/35/90/59/181359059.db2.gz XWDHUWJQCBZENY-SNVBAGLBSA-N 1 3 214.309 -0.192 10 0 BBAEHO NCC1(C[N@H+]2CC[C@H](O)C2)CCOCC1 ZINC000061712127 181359363 /nfs/dbraw/zinc/35/93/63/181359363.db2.gz XWDHUWJQCBZENY-JTQLQIEISA-N 1 3 214.309 -0.192 10 0 BBAEHO NCC1(C[N@@H+]2CC[C@H](O)C2)CCOCC1 ZINC000061712127 181359361 /nfs/dbraw/zinc/35/93/61/181359361.db2.gz XWDHUWJQCBZENY-JTQLQIEISA-N 1 3 214.309 -0.192 10 0 BBAEHO [NH3+]CC1(CN2CC[C@H](O)C2)CCOCC1 ZINC000061712127 181359359 /nfs/dbraw/zinc/35/93/59/181359359.db2.gz XWDHUWJQCBZENY-JTQLQIEISA-N 1 3 214.309 -0.192 10 0 BBAEHO NCCN(CC[NH3+])c1nccn(C2CC2)c1=O ZINC000061806508 181390098 /nfs/dbraw/zinc/39/00/98/181390098.db2.gz CDBDXLJYNJVHCT-UHFFFAOYSA-N 1 3 237.307 -0.698 10 0 BBAEHO C[C@@H]1C[N@@H+](CCn2cc(CN)nn2)CCCO1 ZINC000061935615 176295251 /nfs/dbraw/zinc/29/52/51/176295251.db2.gz OOZXXPQBPLCSLK-SNVBAGLBSA-N 1 3 239.323 -0.152 10 0 BBAEHO C[C@@H]1C[N@H+](CCn2cc(CN)nn2)CCCO1 ZINC000061935615 176295250 /nfs/dbraw/zinc/29/52/50/176295250.db2.gz OOZXXPQBPLCSLK-SNVBAGLBSA-N 1 3 239.323 -0.152 10 0 BBAEHO C[C@H]1C[N@@H+](CCn2cc(CN)nn2)CCCO1 ZINC000061935616 177255472 /nfs/dbraw/zinc/25/54/72/177255472.db2.gz OOZXXPQBPLCSLK-JTQLQIEISA-N 1 3 239.323 -0.152 10 0 BBAEHO C[C@H]1C[N@H+](CCn2cc(CN)nn2)CCCO1 ZINC000061935616 177255470 /nfs/dbraw/zinc/25/54/70/177255470.db2.gz OOZXXPQBPLCSLK-JTQLQIEISA-N 1 3 239.323 -0.152 10 0 BBAEHO CN1CCN([C@]2(CN)CC[N@@H+](C)C2)CC1 ZINC000061990008 173094768 /nfs/dbraw/zinc/09/47/68/173094768.db2.gz OWLMQEYTXCOZTF-NSHDSACASA-N 1 3 212.341 -0.733 10 0 BBAEHO CN1CCN([C@]2(CN)CC[N@H+](C)C2)CC1 ZINC000061990008 173094766 /nfs/dbraw/zinc/09/47/66/173094766.db2.gz OWLMQEYTXCOZTF-NSHDSACASA-N 1 3 212.341 -0.733 10 0 BBAEHO CN1CC[C@@](C[NH3+])(N2CCN(C)CC2)C1 ZINC000061990008 173094764 /nfs/dbraw/zinc/09/47/64/173094764.db2.gz OWLMQEYTXCOZTF-NSHDSACASA-N 1 3 212.341 -0.733 10 0 BBAEHO CN1CCN([C@@]2(CN)CC[N@@H+](C)C2)CC1 ZINC000061990009 173094081 /nfs/dbraw/zinc/09/40/81/173094081.db2.gz OWLMQEYTXCOZTF-LLVKDONJSA-N 1 3 212.341 -0.733 10 0 BBAEHO CN1CCN([C@@]2(CN)CC[N@H+](C)C2)CC1 ZINC000061990009 173094080 /nfs/dbraw/zinc/09/40/80/173094080.db2.gz OWLMQEYTXCOZTF-LLVKDONJSA-N 1 3 212.341 -0.733 10 0 BBAEHO CN1CC[C@](C[NH3+])(N2CCN(C)CC2)C1 ZINC000061990009 173094078 /nfs/dbraw/zinc/09/40/78/173094078.db2.gz OWLMQEYTXCOZTF-LLVKDONJSA-N 1 3 212.341 -0.733 10 0 BBAEHO C[C@@H]1CN([C@]2(CN)CC[N@@H+](C)C2)CCO1 ZINC000061990026 176318583 /nfs/dbraw/zinc/31/85/83/176318583.db2.gz GQVXMCNVWSOKEZ-MNOVXSKESA-N 1 3 213.325 -0.260 10 0 BBAEHO C[C@@H]1CN([C@]2(CN)CC[N@H+](C)C2)CCO1 ZINC000061990026 176318581 /nfs/dbraw/zinc/31/85/81/176318581.db2.gz GQVXMCNVWSOKEZ-MNOVXSKESA-N 1 3 213.325 -0.260 10 0 BBAEHO C[C@H]1CN([C@]2(CN)CC[N@@H+](C)C2)CCO1 ZINC000061990027 177276411 /nfs/dbraw/zinc/27/64/11/177276411.db2.gz GQVXMCNVWSOKEZ-QWRGUYRKSA-N 1 3 213.325 -0.260 10 0 BBAEHO C[C@H]1CN([C@]2(CN)CC[N@H+](C)C2)CCO1 ZINC000061990027 177276409 /nfs/dbraw/zinc/27/64/09/177276409.db2.gz GQVXMCNVWSOKEZ-QWRGUYRKSA-N 1 3 213.325 -0.260 10 0 BBAEHO C[C@@H]1COCCN1[C@]1(CN)CC[N@@H+](C)C1 ZINC000061990254 176337003 /nfs/dbraw/zinc/33/70/03/176337003.db2.gz MJFIHVNAIKYKDY-MNOVXSKESA-N 1 3 213.325 -0.260 10 0 BBAEHO C[C@@H]1COCCN1[C@]1(CN)CC[N@H+](C)C1 ZINC000061990254 176337002 /nfs/dbraw/zinc/33/70/02/176337002.db2.gz MJFIHVNAIKYKDY-MNOVXSKESA-N 1 3 213.325 -0.260 10 0 BBAEHO C[C@H]1COCCN1[C@]1(CN)CC[N@@H+](C)C1 ZINC000061990255 177293663 /nfs/dbraw/zinc/29/36/63/177293663.db2.gz MJFIHVNAIKYKDY-QWRGUYRKSA-N 1 3 213.325 -0.260 10 0 BBAEHO C[C@H]1COCCN1[C@]1(CN)CC[N@H+](C)C1 ZINC000061990255 177293661 /nfs/dbraw/zinc/29/36/61/177293661.db2.gz MJFIHVNAIKYKDY-QWRGUYRKSA-N 1 3 213.325 -0.260 10 0 BBAEHO C[N@H+]1CC[C@@](CN)(N2CCCOCC2)C1 ZINC000061990828 173136268 /nfs/dbraw/zinc/13/62/68/173136268.db2.gz JDOJIIYNDKZTND-NSHDSACASA-N 1 3 213.325 -0.258 10 0 BBAEHO C[N@@H+]1CC[C@@](CN)(N2CCCOCC2)C1 ZINC000061990828 173136266 /nfs/dbraw/zinc/13/62/66/173136266.db2.gz JDOJIIYNDKZTND-NSHDSACASA-N 1 3 213.325 -0.258 10 0 BBAEHO C[N@H+]1CC[C@](CN)(N2CCCOCC2)C1 ZINC000061990829 173162605 /nfs/dbraw/zinc/16/26/05/173162605.db2.gz JDOJIIYNDKZTND-LLVKDONJSA-N 1 3 213.325 -0.258 10 0 BBAEHO C[N@@H+]1CC[C@](CN)(N2CCCOCC2)C1 ZINC000061990829 173162603 /nfs/dbraw/zinc/16/26/03/173162603.db2.gz JDOJIIYNDKZTND-LLVKDONJSA-N 1 3 213.325 -0.258 10 0 BBAEHO CN1CC[C@@](CO)(N2CCC[NH2+]CC2)C1 ZINC000061992142 173136339 /nfs/dbraw/zinc/13/63/39/173136339.db2.gz RMCSMBLHYMVQSQ-LLVKDONJSA-N 1 3 213.325 -0.652 10 0 BBAEHO CN1CC[C@](CO)(N2CCC[NH2+]CC2)C1 ZINC000061992143 173162150 /nfs/dbraw/zinc/16/21/50/173162150.db2.gz RMCSMBLHYMVQSQ-NSHDSACASA-N 1 3 213.325 -0.652 10 0 BBAEHO O=C(NCCN1CCCC1)[C@@H]1CC[NH2+]C1 ZINC000062112819 182184780 /nfs/dbraw/zinc/18/47/80/182184780.db2.gz OMZSMIBIISUCSD-SNVBAGLBSA-N 1 3 211.309 -0.192 10 0 BBAEHO CN1CCC[C@H](NC(=O)[C@@H]2CC[NH2+]C2)C1 ZINC000062115850 173045845 /nfs/dbraw/zinc/04/58/45/173045845.db2.gz IPYCMLZYHRBIKG-ZJUUUORDSA-N 1 3 211.309 -0.194 10 0 BBAEHO CN1CCC[C@@H](NC(=O)[C@@H]2CC[NH2+]C2)C1 ZINC000062115851 173021077 /nfs/dbraw/zinc/02/10/77/173021077.db2.gz IPYCMLZYHRBIKG-NXEZZACHSA-N 1 3 211.309 -0.194 10 0 BBAEHO O=C(N[C@H]1CCN(C2CC2)C1)[C@@H]1CC[NH2+]C1 ZINC000062116628 182335283 /nfs/dbraw/zinc/33/52/83/182335283.db2.gz SEWCENCOWDWGHM-ZJUUUORDSA-N 1 3 223.320 -0.051 10 0 BBAEHO O=C(N[C@@H]1CCN(C2CC2)C1)[C@@H]1CC[NH2+]C1 ZINC000062116629 182303197 /nfs/dbraw/zinc/30/31/97/182303197.db2.gz SEWCENCOWDWGHM-NXEZZACHSA-N 1 3 223.320 -0.051 10 0 BBAEHO CCCN1CCN(CC[C@H]([NH2+]C)C(N)=O)CC1 ZINC000062439581 169203101 /nfs/dbraw/zinc/20/31/01/169203101.db2.gz ADYIPUVAOAZTAS-NSHDSACASA-N 1 3 242.367 -0.523 10 0 BBAEHO CCCN1CCN(CC[C@@H]([NH2+]C)C(N)=O)CC1 ZINC000062439582 169203810 /nfs/dbraw/zinc/20/38/10/169203810.db2.gz ADYIPUVAOAZTAS-LLVKDONJSA-N 1 3 242.367 -0.523 10 0 BBAEHO CC(C)C[NH+]1CCN(CC[C@H](N)C(N)=O)CC1 ZINC000062532165 641057601 /nfs/dbraw/zinc/05/76/01/641057601.db2.gz FJWGXRZTOMUITQ-NSHDSACASA-N 1 3 242.367 -0.537 10 0 BBAEHO CC(C)C[NH+]1CCN(CC[C@@H](N)C(N)=O)CC1 ZINC000062532173 641058270 /nfs/dbraw/zinc/05/82/70/641058270.db2.gz FJWGXRZTOMUITQ-LLVKDONJSA-N 1 3 242.367 -0.537 10 0 BBAEHO O=C(NCCC[NH+]1CCCC1)[C@@H]1CNCCN1 ZINC000062813640 182166899 /nfs/dbraw/zinc/16/68/99/182166899.db2.gz JNPAOCDQJZWWQQ-NSHDSACASA-N 1 3 240.351 -0.850 10 0 BBAEHO O=C(NCCC[NH+]1CCCC1)[C@H]1CNCCN1 ZINC000062813641 182166813 /nfs/dbraw/zinc/16/68/13/182166813.db2.gz JNPAOCDQJZWWQQ-LLVKDONJSA-N 1 3 240.351 -0.850 10 0 BBAEHO CCCN[C@@H](CN1CC[C@H]([NH+](C)C)C1)C(N)=O ZINC000062968859 169279603 /nfs/dbraw/zinc/27/96/03/169279603.db2.gz WAYZVZZZNYCHLU-QWRGUYRKSA-N 1 3 242.367 -0.524 10 0 BBAEHO CCCN[C@H](CN1CC[C@H]([NH+](C)C)C1)C(N)=O ZINC000062968860 169288966 /nfs/dbraw/zinc/28/89/66/169288966.db2.gz WAYZVZZZNYCHLU-WDEREUQCSA-N 1 3 242.367 -0.524 10 0 BBAEHO CN(C)[C@@H]1CCN(C(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000062971989 386666774 /nfs/dbraw/zinc/66/67/74/386666774.db2.gz LCZIQRVIUCSHFC-ZJUUUORDSA-N 1 3 211.309 -0.099 10 0 BBAEHO CN(C)[C@H]1CCN(C(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000062971990 386667916 /nfs/dbraw/zinc/66/79/16/386667916.db2.gz LCZIQRVIUCSHFC-UWVGGRQHSA-N 1 3 211.309 -0.099 10 0 BBAEHO CN(C)[C@@H]1CCN(C(=O)[C@H]2CCC[NH2+]2)C1 ZINC000062972167 386668040 /nfs/dbraw/zinc/66/80/40/386668040.db2.gz LCZIQRVIUCSHFC-NXEZZACHSA-N 1 3 211.309 -0.099 10 0 BBAEHO CN(C)[C@H]1CCN(C(=O)[C@H]2CCC[NH2+]2)C1 ZINC000062972168 386667349 /nfs/dbraw/zinc/66/73/49/386667349.db2.gz LCZIQRVIUCSHFC-VHSXEESVSA-N 1 3 211.309 -0.099 10 0 BBAEHO CN(C)[C@@H]1CCN(C(=O)CN2CC[NH2+]CC2)C1 ZINC000062972345 411334204 /nfs/dbraw/zinc/33/42/04/411334204.db2.gz KSPJVWAYIFSSQG-LLVKDONJSA-N 1 3 240.351 -0.946 10 0 BBAEHO CN(C)[C@H]1CCN(C(=O)CN2CC[NH2+]CC2)C1 ZINC000062972346 411335101 /nfs/dbraw/zinc/33/51/01/411335101.db2.gz KSPJVWAYIFSSQG-NSHDSACASA-N 1 3 240.351 -0.946 10 0 BBAEHO C[NH+](C)[C@@H]1CCN(C(=O)CNC2CC2)C1 ZINC000062972423 349503161 /nfs/dbraw/zinc/50/31/61/349503161.db2.gz UUAKVUGXQGXTHS-SNVBAGLBSA-N 1 3 211.309 -0.099 10 0 BBAEHO C[NH+](C)[C@H]1CCN(C(=O)CNC2CC2)C1 ZINC000062972424 349503509 /nfs/dbraw/zinc/50/35/09/349503509.db2.gz UUAKVUGXQGXTHS-JTQLQIEISA-N 1 3 211.309 -0.099 10 0 BBAEHO [NH3+]CCNC(=O)CN1CC[C@@H](N2CCCC2)C1 ZINC000062978091 181394007 /nfs/dbraw/zinc/39/40/07/181394007.db2.gz IELLVMGYZMXWGE-LLVKDONJSA-N 1 3 240.351 -0.769 10 0 BBAEHO [NH3+]CCNC(=O)CN1CC[C@H](N2CCCC2)C1 ZINC000062978092 181394168 /nfs/dbraw/zinc/39/41/68/181394168.db2.gz IELLVMGYZMXWGE-NSHDSACASA-N 1 3 240.351 -0.769 10 0 BBAEHO CCN[C@@H](CN(C)CC[NH+]1CCCC1)C(N)=O ZINC000063053327 170144641 /nfs/dbraw/zinc/14/46/41/170144641.db2.gz AQZVWQQPMDQMJH-NSHDSACASA-N 1 3 242.367 -0.523 10 0 BBAEHO CCN[C@H](CN(C)CC[NH+]1CCCC1)C(N)=O ZINC000063053328 170162451 /nfs/dbraw/zinc/16/24/51/170162451.db2.gz AQZVWQQPMDQMJH-LLVKDONJSA-N 1 3 242.367 -0.523 10 0 BBAEHO C[NH2+]CC1CCN(CCN2CCNC2=O)CC1 ZINC000063165784 173338773 /nfs/dbraw/zinc/33/87/73/173338773.db2.gz SSVOLWVJANWAFB-UHFFFAOYSA-N 1 3 240.351 -0.057 10 0 BBAEHO CN1CC[C@@]2(C1)CCC[N@H+](C(CO)CO)C2 ZINC000067854702 173165952 /nfs/dbraw/zinc/16/59/52/173165952.db2.gz DUEWKMIGJSWBAP-GFCCVEGCSA-N 1 3 228.336 -0.243 10 0 BBAEHO CN1CC[C@@]2(C1)CCC[N@@H+](C(CO)CO)C2 ZINC000067854702 173165950 /nfs/dbraw/zinc/16/59/50/173165950.db2.gz DUEWKMIGJSWBAP-GFCCVEGCSA-N 1 3 228.336 -0.243 10 0 BBAEHO CN1CC[C@]2(C1)CCC[N@H+](C(CO)CO)C2 ZINC000067854703 173138789 /nfs/dbraw/zinc/13/87/89/173138789.db2.gz DUEWKMIGJSWBAP-LBPRGKRZSA-N 1 3 228.336 -0.243 10 0 BBAEHO CN1CC[C@]2(C1)CCC[N@@H+](C(CO)CO)C2 ZINC000067854703 173138785 /nfs/dbraw/zinc/13/87/85/173138785.db2.gz DUEWKMIGJSWBAP-LBPRGKRZSA-N 1 3 228.336 -0.243 10 0 BBAEHO C[NH+](C)[C@@H]1CCN(C[C@@H]2CNCCO2)C1 ZINC000070621378 487984696 /nfs/dbraw/zinc/98/46/96/487984696.db2.gz IQMQWYBUPIYKBY-MNOVXSKESA-N 1 3 213.325 -0.389 10 0 BBAEHO C[NH+](C)[C@H]1CCN(C[C@@H]2CNCCO2)C1 ZINC000070621379 487984528 /nfs/dbraw/zinc/98/45/28/487984528.db2.gz IQMQWYBUPIYKBY-QWRGUYRKSA-N 1 3 213.325 -0.389 10 0 BBAEHO COC(=O)NC1(C[NH3+])CCN(C)CC1 ZINC000070626843 361666851 /nfs/dbraw/zinc/66/68/51/361666851.db2.gz MMLRNAHUMIMGBU-UHFFFAOYSA-N 1 3 201.270 -0.235 10 0 BBAEHO CCNC(=O)CCN(C)CCN1CC[NH2+]CC1 ZINC000071150854 170049255 /nfs/dbraw/zinc/04/92/55/170049255.db2.gz QERQREJFMMSEFL-UHFFFAOYSA-N 1 3 242.367 -0.650 10 0 BBAEHO CCN[C@@H](CN(C)C[C@@H]1CC[N@@H+](C)C1)C(N)=O ZINC000071190814 170145303 /nfs/dbraw/zinc/14/53/03/170145303.db2.gz MYEONCNNONEHNN-MNOVXSKESA-N 1 3 242.367 -0.667 10 0 BBAEHO CCN[C@@H](CN(C)C[C@@H]1CC[N@H+](C)C1)C(N)=O ZINC000071190814 170145301 /nfs/dbraw/zinc/14/53/01/170145301.db2.gz MYEONCNNONEHNN-MNOVXSKESA-N 1 3 242.367 -0.667 10 0 BBAEHO CCN[C@H](CN(C)C[C@@H]1CC[N@@H+](C)C1)C(N)=O ZINC000071190815 170162232 /nfs/dbraw/zinc/16/22/32/170162232.db2.gz MYEONCNNONEHNN-GHMZBOCLSA-N 1 3 242.367 -0.667 10 0 BBAEHO CCN[C@H](CN(C)C[C@@H]1CC[N@H+](C)C1)C(N)=O ZINC000071190815 170162230 /nfs/dbraw/zinc/16/22/30/170162230.db2.gz MYEONCNNONEHNN-GHMZBOCLSA-N 1 3 242.367 -0.667 10 0 BBAEHO C[NH2+]C[C@@H]1CN(CCN(C)C)CCO1 ZINC000071508310 173371561 /nfs/dbraw/zinc/37/15/61/173371561.db2.gz UBYUCNIBYMBWAZ-SNVBAGLBSA-N 1 3 201.314 -0.532 10 0 BBAEHO C[NH2+]C[C@H]1CN(CCN(C)C)CCO1 ZINC000071508311 173382820 /nfs/dbraw/zinc/38/28/20/173382820.db2.gz UBYUCNIBYMBWAZ-JTQLQIEISA-N 1 3 201.314 -0.532 10 0 BBAEHO CCCN1CCN(C[C@H](O)CC[NH3+])CC1 ZINC000071519435 169202353 /nfs/dbraw/zinc/20/23/53/169202353.db2.gz VFIAOBMQAHODBB-LLVKDONJSA-N 1 3 215.341 -0.276 10 0 BBAEHO CCCN1CCN(C[C@@H](O)CC[NH3+])CC1 ZINC000071519436 169202424 /nfs/dbraw/zinc/20/24/24/169202424.db2.gz VFIAOBMQAHODBB-NSHDSACASA-N 1 3 215.341 -0.276 10 0 BBAEHO CCCCN1CCN(C[C@H](O)C[NH3+])CC1 ZINC000071519439 168831936 /nfs/dbraw/zinc/83/19/36/168831936.db2.gz SAFPBDGTTJEJJP-LLVKDONJSA-N 1 3 215.341 -0.276 10 0 BBAEHO CCN(CC)C[C@@H](C[NH3+])N1CCN(C)CC1 ZINC000076613260 169786041 /nfs/dbraw/zinc/78/60/41/169786041.db2.gz CWHMHUFHTIHWMW-GFCCVEGCSA-N 1 3 228.384 -0.097 10 0 BBAEHO CC[NH+](CC)C[C@@H](CN)N1CCN(C)CC1 ZINC000076613260 169786040 /nfs/dbraw/zinc/78/60/40/169786040.db2.gz CWHMHUFHTIHWMW-GFCCVEGCSA-N 1 3 228.384 -0.097 10 0 BBAEHO C[NH2+]CCN(C)CCN1CCN(C)CC1 ZINC000077306749 173352803 /nfs/dbraw/zinc/35/28/03/173352803.db2.gz MZXWVAHNNGLFSJ-UHFFFAOYSA-N 1 3 214.357 -0.615 10 0 BBAEHO C[NH2+]CC[C@@H]1CN(CCN(C)C)C(=O)O1 ZINC000077307411 173358642 /nfs/dbraw/zinc/35/86/42/173358642.db2.gz OLVVPRLSWBKVRI-SECBINFHSA-N 1 3 215.297 -0.022 10 0 BBAEHO C[NH2+]CC[C@H]1CN(CCN(C)C)C(=O)O1 ZINC000077307414 173358937 /nfs/dbraw/zinc/35/89/37/173358937.db2.gz OLVVPRLSWBKVRI-VIFPVBQESA-N 1 3 215.297 -0.022 10 0 BBAEHO COCCN(C)CCNC(=O)[C@@]1(C)CCC[NH2+]1 ZINC000079521202 487641148 /nfs/dbraw/zinc/64/11/48/487641148.db2.gz PUPMJLPKOIWWBA-GFCCVEGCSA-N 1 3 243.351 -0.177 10 0 BBAEHO COC(=O)CCN(C)CCN1CC[NH2+]CC1 ZINC000082420497 344986227 /nfs/dbraw/zinc/98/62/27/344986227.db2.gz JTGZJJHZMWYCQL-UHFFFAOYSA-N 1 3 229.324 -0.614 10 0 BBAEHO C[C@H](CNC(=O)[C@@H]1C[NH2+]C[C@H]1C)N(C)C ZINC000082559598 490290362 /nfs/dbraw/zinc/29/03/62/490290362.db2.gz LBXWRTMTASGDIO-OPRDCNLKSA-N 1 3 213.325 -0.092 10 0 BBAEHO CN1CC[C@H](NC(=O)C2(C[NH3+])CCC2)C1 ZINC000082641747 173150481 /nfs/dbraw/zinc/15/04/81/173150481.db2.gz QMHXIZDPWSYYQX-VIFPVBQESA-N 1 3 211.309 -0.064 10 0 BBAEHO CN1CC[C@@H](NC(=O)C2(C[NH3+])CCC2)C1 ZINC000082641748 173122747 /nfs/dbraw/zinc/12/27/47/173122747.db2.gz QMHXIZDPWSYYQX-SECBINFHSA-N 1 3 211.309 -0.064 10 0 BBAEHO CCOCCCNCC1C(=O)[O+]=NN1C ZINC000083250892 170380334 /nfs/dbraw/zinc/38/03/34/170380334.db2.gz LUDZIMCCNMMGRI-UHFFFAOYSA-O 1 3 216.261 -0.279 10 0 BBAEHO COCCCNCC1C(=O)[O+]=NN1C ZINC000083250926 174246778 /nfs/dbraw/zinc/24/67/78/174246778.db2.gz YCDQKYRUURJRKR-UHFFFAOYSA-O 1 3 202.234 -0.669 10 0 BBAEHO CCC[C@@H](N)C(=O)NCCN1CC[NH2+]CC1 ZINC000083356306 169389351 /nfs/dbraw/zinc/38/93/51/169389351.db2.gz JCHHJEMKHNYXDY-SNVBAGLBSA-N 1 3 228.340 -0.865 10 0 BBAEHO O=C(NCCN1CCCCC1)C1C[NH2+]C1 ZINC000084411286 135471340 /nfs/dbraw/zinc/47/13/40/135471340.db2.gz UYMPVNRTXSBLSS-UHFFFAOYSA-N 1 3 211.309 -0.192 10 0 BBAEHO CN(C)[C@@H]1CCCN(C(=O)C2C[NH2+]C2)C1 ZINC000084420047 135249487 /nfs/dbraw/zinc/24/94/87/135249487.db2.gz MHDMLYVKHRGGKP-SNVBAGLBSA-N 1 3 211.309 -0.242 10 0 BBAEHO CN(C)[C@H]1CCCN(C(=O)C2C[NH2+]C2)C1 ZINC000084420049 135249348 /nfs/dbraw/zinc/24/93/48/135249348.db2.gz MHDMLYVKHRGGKP-JTQLQIEISA-N 1 3 211.309 -0.242 10 0 BBAEHO CN(C)[C@@H]1CCC[N@@H+](CC[C@H](N)C(N)=O)C1 ZINC000084420745 538533129 /nfs/dbraw/zinc/53/31/29/538533129.db2.gz ZGEAMABHFOBHMZ-ZJUUUORDSA-N 1 3 228.340 -0.785 10 0 BBAEHO CN(C)[C@@H]1CCC[N@H+](CC[C@H](N)C(N)=O)C1 ZINC000084420745 538533123 /nfs/dbraw/zinc/53/31/23/538533123.db2.gz ZGEAMABHFOBHMZ-ZJUUUORDSA-N 1 3 228.340 -0.785 10 0 BBAEHO C[NH+](C)[C@@H]1CCCN(CC[C@H](N)C(N)=O)C1 ZINC000084420745 538533118 /nfs/dbraw/zinc/53/31/18/538533118.db2.gz ZGEAMABHFOBHMZ-ZJUUUORDSA-N 1 3 228.340 -0.785 10 0 BBAEHO CN(C)[C@H]1CCC[N@@H+](CC[C@H](N)C(N)=O)C1 ZINC000084420746 538532099 /nfs/dbraw/zinc/53/20/99/538532099.db2.gz ZGEAMABHFOBHMZ-UWVGGRQHSA-N 1 3 228.340 -0.785 10 0 BBAEHO CN(C)[C@H]1CCC[N@H+](CC[C@H](N)C(N)=O)C1 ZINC000084420746 538532093 /nfs/dbraw/zinc/53/20/93/538532093.db2.gz ZGEAMABHFOBHMZ-UWVGGRQHSA-N 1 3 228.340 -0.785 10 0 BBAEHO C[NH+](C)[C@H]1CCCN(CC[C@H](N)C(N)=O)C1 ZINC000084420746 538532084 /nfs/dbraw/zinc/53/20/84/538532084.db2.gz ZGEAMABHFOBHMZ-UWVGGRQHSA-N 1 3 228.340 -0.785 10 0 BBAEHO O[C@H](CNCC1CC(O)C1)C[NH+]1CCCC1 ZINC000084449441 384623054 /nfs/dbraw/zinc/62/30/54/384623054.db2.gz SYDOGPNVHNLUSA-HTAVTVPLSA-N 1 3 228.336 -0.196 10 0 BBAEHO O[C@@H](CNCC1CC(O)C1)C[NH+]1CCCC1 ZINC000084449443 384623606 /nfs/dbraw/zinc/62/36/06/384623606.db2.gz SYDOGPNVHNLUSA-MCIGGMRASA-N 1 3 228.336 -0.196 10 0 BBAEHO [NH3+][C@H]1CC[C@@H](C(=O)N2CCCNCC2)C1 ZINC000085010337 343462605 /nfs/dbraw/zinc/46/26/05/343462605.db2.gz JEVVTYHHWKIOIE-ZJUUUORDSA-N 1 3 211.309 -0.064 10 0 BBAEHO [NH3+][C@H]1CC[C@H](C(=O)N2CCCNCC2)C1 ZINC000085010340 343462562 /nfs/dbraw/zinc/46/25/62/343462562.db2.gz JEVVTYHHWKIOIE-UWVGGRQHSA-N 1 3 211.309 -0.064 10 0 BBAEHO [NH3+][C@@H]1CC[C@@H](C(=O)N2CCCNCC2)C1 ZINC000085010343 368860715 /nfs/dbraw/zinc/86/07/15/368860715.db2.gz JEVVTYHHWKIOIE-NXEZZACHSA-N 1 3 211.309 -0.064 10 0 BBAEHO [NH3+][C@@H]1CC[C@H](C(=O)N2CCCNCC2)C1 ZINC000085010345 368860186 /nfs/dbraw/zinc/86/01/86/368860186.db2.gz JEVVTYHHWKIOIE-VHSXEESVSA-N 1 3 211.309 -0.064 10 0 BBAEHO C[C@@H]1C[n+]2cnc(N3CCNCC3)cc2N1 ZINC000085347708 384938022 /nfs/dbraw/zinc/93/80/22/384938022.db2.gz ISIJFCLXZRCKHP-SECBINFHSA-O 1 3 220.300 -0.407 10 0 BBAEHO C[C@H]1C[n+]2cnc(N3CCNCC3)cc2N1 ZINC000085347710 384938362 /nfs/dbraw/zinc/93/83/62/384938362.db2.gz ISIJFCLXZRCKHP-VIFPVBQESA-O 1 3 220.300 -0.407 10 0 BBAEHO C[C@@H]1CNc2cc(N3CCNCC3)nc[n+]21 ZINC000085347712 132426593 /nfs/dbraw/zinc/42/65/93/132426593.db2.gz MFWZWMYQFDASPE-SECBINFHSA-O 1 3 220.300 -0.235 10 0 BBAEHO C[C@H]1CNc2cc(N3CCNCC3)nc[n+]21 ZINC000085347714 384937814 /nfs/dbraw/zinc/93/78/14/384937814.db2.gz MFWZWMYQFDASPE-VIFPVBQESA-O 1 3 220.300 -0.235 10 0 BBAEHO CC[C@@H]1C[n+]2cnc(N3CCNCC3)cc2N1 ZINC000085347777 384939721 /nfs/dbraw/zinc/93/97/21/384939721.db2.gz GQNUSGGRIMOHTI-SNVBAGLBSA-O 1 3 234.327 -0.017 10 0 BBAEHO CC[C@H]1C[n+]2cnc(N3CCNCC3)cc2N1 ZINC000085347779 384939313 /nfs/dbraw/zinc/93/93/13/384939313.db2.gz GQNUSGGRIMOHTI-JTQLQIEISA-O 1 3 234.327 -0.017 10 0 BBAEHO COCCN(C)CCNC(=O)[C@H]1CCC[C@@H]1[NH3+] ZINC000085374469 134343360 /nfs/dbraw/zinc/34/33/60/134343360.db2.gz QIQCIAJOXWWCLS-QWRGUYRKSA-N 1 3 243.351 -0.192 10 0 BBAEHO COCCNCC(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000086158268 387516168 /nfs/dbraw/zinc/51/61/68/387516168.db2.gz OUVAKIWSEITBRL-SNVBAGLBSA-N 1 3 229.324 -0.615 10 0 BBAEHO COCCNCC(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000086158269 387514861 /nfs/dbraw/zinc/51/48/61/387514861.db2.gz OUVAKIWSEITBRL-JTQLQIEISA-N 1 3 229.324 -0.615 10 0 BBAEHO [NH3+]CCOCC(=O)N1CCN2CCC[C@@H]2C1 ZINC000086434566 487504305 /nfs/dbraw/zinc/50/43/05/487504305.db2.gz XKLPKUUVIMTFMP-SNVBAGLBSA-N 1 3 227.308 -0.732 10 0 BBAEHO [NH3+]CCOCC(=O)N1CCN2CCC[C@H]2C1 ZINC000086434567 487504073 /nfs/dbraw/zinc/50/40/73/487504073.db2.gz XKLPKUUVIMTFMP-JTQLQIEISA-N 1 3 227.308 -0.732 10 0 BBAEHO CCN1CCC[C@H](NC(=O)COCC[NH3+])C1 ZINC000086434708 487504773 /nfs/dbraw/zinc/50/47/73/487504773.db2.gz VJNJVXVYCZXMPV-JTQLQIEISA-N 1 3 229.324 -0.438 10 0 BBAEHO CCN1CCC[C@@H](NC(=O)COCC[NH3+])C1 ZINC000086434709 487504803 /nfs/dbraw/zinc/50/48/03/487504803.db2.gz VJNJVXVYCZXMPV-SNVBAGLBSA-N 1 3 229.324 -0.438 10 0 BBAEHO CN(C)[C@@H]1CCN(C(=O)COCC[NH3+])C1 ZINC000086434992 487506058 /nfs/dbraw/zinc/50/60/58/487506058.db2.gz FMDBTYSJOCDABY-SECBINFHSA-N 1 3 215.297 -0.876 10 0 BBAEHO CN(C)[C@H]1CCN(C(=O)COCC[NH3+])C1 ZINC000086434993 487506128 /nfs/dbraw/zinc/50/61/28/487506128.db2.gz FMDBTYSJOCDABY-VIFPVBQESA-N 1 3 215.297 -0.876 10 0 BBAEHO C([C@@H]1CNCCO1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000086932578 487588907 /nfs/dbraw/zinc/58/89/07/487588907.db2.gz XDRRRVJCIXSEFC-NEPJUHHUSA-N 1 3 225.336 -0.245 10 0 BBAEHO C([C@@H]1CNCCO1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000086932578 487588904 /nfs/dbraw/zinc/58/89/04/487588904.db2.gz XDRRRVJCIXSEFC-NEPJUHHUSA-N 1 3 225.336 -0.245 10 0 BBAEHO C([C@@H]1CNCCO1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000086932581 487588227 /nfs/dbraw/zinc/58/82/27/487588227.db2.gz XDRRRVJCIXSEFC-RYUDHWBXSA-N 1 3 225.336 -0.245 10 0 BBAEHO C([C@@H]1CNCCO1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000086932581 487588223 /nfs/dbraw/zinc/58/82/23/487588223.db2.gz XDRRRVJCIXSEFC-RYUDHWBXSA-N 1 3 225.336 -0.245 10 0 BBAEHO CC(C)(C(=O)NCCC[NH3+])N1CCNCC1 ZINC000087638916 383855775 /nfs/dbraw/zinc/85/57/75/383855775.db2.gz NIKQHCRKXZMSPZ-UHFFFAOYSA-N 1 3 228.340 -0.865 10 0 BBAEHO C[NH+](C)[C@@H]1CCN(C(=O)C[C@@H]2CNCCO2)C1 ZINC000091312048 369008673 /nfs/dbraw/zinc/00/86/73/369008673.db2.gz LHUCIFQCYHAXKJ-GHMZBOCLSA-N 1 3 241.335 -0.473 10 0 BBAEHO C[NH+](C)[C@H]1CCN(C(=O)C[C@@H]2CNCCO2)C1 ZINC000091312050 369009455 /nfs/dbraw/zinc/00/94/55/369009455.db2.gz LHUCIFQCYHAXKJ-WDEREUQCSA-N 1 3 241.335 -0.473 10 0 BBAEHO C[NH+](C)[C@@H]1CCN(C(=O)C[C@H]2CNCCO2)C1 ZINC000091312053 369009164 /nfs/dbraw/zinc/00/91/64/369009164.db2.gz LHUCIFQCYHAXKJ-MNOVXSKESA-N 1 3 241.335 -0.473 10 0 BBAEHO C[NH+](C)[C@H]1CCN(C(=O)C[C@H]2CNCCO2)C1 ZINC000091312055 369009489 /nfs/dbraw/zinc/00/94/89/369009489.db2.gz LHUCIFQCYHAXKJ-QWRGUYRKSA-N 1 3 241.335 -0.473 10 0 BBAEHO COCCN(C)CCNC(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000091548572 174276806 /nfs/dbraw/zinc/27/68/06/174276806.db2.gz JNVMHEJLMYHOOA-MNOVXSKESA-N 1 3 243.351 -0.192 10 0 BBAEHO COCCN(C)CCNC(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000091548574 174277349 /nfs/dbraw/zinc/27/73/49/174277349.db2.gz JNVMHEJLMYHOOA-QWRGUYRKSA-N 1 3 243.351 -0.192 10 0 BBAEHO C[NH2+][C@H](C)C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000091668421 631541893 /nfs/dbraw/zinc/54/18/93/631541893.db2.gz ICAICLPNQGIEKW-GMTAPVOTSA-N 1 3 241.335 -0.426 10 0 BBAEHO C[NH2+][C@H](C)C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000091668423 631543506 /nfs/dbraw/zinc/54/35/06/631543506.db2.gz ICAICLPNQGIEKW-MXWKQRLJSA-N 1 3 241.335 -0.426 10 0 BBAEHO CC[N@H+]1CCC[C@H](NC(=O)CNCCOC)C1 ZINC000092509446 636043549 /nfs/dbraw/zinc/04/35/49/636043549.db2.gz KDRMNUBGUPQYQL-NSHDSACASA-N 1 3 243.351 -0.177 10 0 BBAEHO CC[N@@H+]1CCC[C@H](NC(=O)CNCCOC)C1 ZINC000092509446 636043542 /nfs/dbraw/zinc/04/35/42/636043542.db2.gz KDRMNUBGUPQYQL-NSHDSACASA-N 1 3 243.351 -0.177 10 0 BBAEHO CCN1CCC[C@@H]1CN(C)C(=O)COCC[NH3+] ZINC000093232430 488147130 /nfs/dbraw/zinc/14/71/30/488147130.db2.gz FIESAMYMEFRNLE-LLVKDONJSA-N 1 3 243.351 -0.096 10 0 BBAEHO CCN1CCC[C@H]1CN(C)C(=O)COCC[NH3+] ZINC000093232431 488147014 /nfs/dbraw/zinc/14/70/14/488147014.db2.gz FIESAMYMEFRNLE-NSHDSACASA-N 1 3 243.351 -0.096 10 0 BBAEHO [NH3+]CCOCCN1CC[C@@H](N2CCOCC2)C1 ZINC000093232481 188049968 /nfs/dbraw/zinc/04/99/68/188049968.db2.gz HGDVAPNJHDLBDT-GFCCVEGCSA-N 1 3 243.351 -0.632 10 0 BBAEHO [NH3+]CCOCCN1CC[C@H](N2CCOCC2)C1 ZINC000093232482 181399371 /nfs/dbraw/zinc/39/93/71/181399371.db2.gz HGDVAPNJHDLBDT-LBPRGKRZSA-N 1 3 243.351 -0.632 10 0 BBAEHO C[N@H+]1CCC2(C1)CCN(C(=O)CN)CC2 ZINC000095075616 173003493 /nfs/dbraw/zinc/00/34/93/173003493.db2.gz JUHYWXMBXURUFR-UHFFFAOYSA-N 1 3 211.309 -0.111 10 0 BBAEHO C[N@@H+]1CCC2(C1)CCN(C(=O)CN)CC2 ZINC000095075616 173003490 /nfs/dbraw/zinc/00/34/90/173003490.db2.gz JUHYWXMBXURUFR-UHFFFAOYSA-N 1 3 211.309 -0.111 10 0 BBAEHO C[NH+]1CCC2(CCN(C(=O)CN)C2)CC1 ZINC000095075644 173001147 /nfs/dbraw/zinc/00/11/47/173001147.db2.gz IHEYRFKUKPLJFU-UHFFFAOYSA-N 1 3 211.309 -0.111 10 0 BBAEHO NCC(=O)N1CC[C@@]2(CC[C@@H](C[NH3+])C2)C1 ZINC000095077526 181349974 /nfs/dbraw/zinc/34/99/74/181349974.db2.gz STYLRZUWEUFPDY-MWLCHTKSSA-N 1 3 211.309 -0.077 10 0 BBAEHO NCC(=O)N1CC[C@]2(CC[C@@H](C[NH3+])C2)C1 ZINC000095077527 181349845 /nfs/dbraw/zinc/34/98/45/181349845.db2.gz STYLRZUWEUFPDY-KOLCDFICSA-N 1 3 211.309 -0.077 10 0 BBAEHO NCC(=O)N1CC[C@@]2(CC[C@H](C[NH3+])C2)C1 ZINC000095077528 181350652 /nfs/dbraw/zinc/35/06/52/181350652.db2.gz STYLRZUWEUFPDY-GXSJLCMTSA-N 1 3 211.309 -0.077 10 0 BBAEHO NCC(=O)N1CC[C@]2(CC[C@H](C[NH3+])C2)C1 ZINC000095077529 181349474 /nfs/dbraw/zinc/34/94/74/181349474.db2.gz STYLRZUWEUFPDY-ONGXEEELSA-N 1 3 211.309 -0.077 10 0 BBAEHO CC(C)[C@H](N)C(=O)N1CC[C@]2(CC[NH2+]2)C1 ZINC000095088025 187287218 /nfs/dbraw/zinc/28/72/18/187287218.db2.gz OUGIGYPWDHFZKI-GXSJLCMTSA-N 1 3 211.309 -0.066 10 0 BBAEHO CC(C)[C@@H](N)C(=O)N1CC[C@]2(CC[NH2+]2)C1 ZINC000095088026 384359689 /nfs/dbraw/zinc/35/96/89/384359689.db2.gz OUGIGYPWDHFZKI-MWLCHTKSSA-N 1 3 211.309 -0.066 10 0 BBAEHO CC(C)[C@H](N)C(=O)N1CC[C@@]2(CC[NH2+]2)C1 ZINC000095088027 384360516 /nfs/dbraw/zinc/36/05/16/384360516.db2.gz OUGIGYPWDHFZKI-ONGXEEELSA-N 1 3 211.309 -0.066 10 0 BBAEHO CC(C)[C@@H](N)C(=O)N1CC[C@@]2(CC[NH2+]2)C1 ZINC000095088028 384360224 /nfs/dbraw/zinc/36/02/24/384360224.db2.gz OUGIGYPWDHFZKI-KOLCDFICSA-N 1 3 211.309 -0.066 10 0 BBAEHO C[C@H](N)C(=O)N1CCC2(CC(C[NH3+])C2)C1 ZINC000095088862 384361520 /nfs/dbraw/zinc/36/15/20/384361520.db2.gz DPXMWLOWPZJWSA-SILCLGDVSA-N 1 3 211.309 -0.079 10 0 BBAEHO C[C@@H](N)C(=O)N1CCC2(CC(C[NH3+])C2)C1 ZINC000095088863 384361279 /nfs/dbraw/zinc/36/12/79/384361279.db2.gz DPXMWLOWPZJWSA-FKTRJACZSA-N 1 3 211.309 -0.079 10 0 BBAEHO CN(C)C[C@@]1(C)OC[C@H](C[NH+](C)C)[C@@H]1O ZINC000100307867 172496956 /nfs/dbraw/zinc/49/69/56/172496956.db2.gz QPPJWHSBSSEEGG-GARJFASQSA-N 1 3 216.325 -0.124 10 0 BBAEHO CN(C)C[C@@]1(C)OC[C@H](C[NH+](C)C)[C@H]1O ZINC000100307871 384634599 /nfs/dbraw/zinc/63/45/99/384634599.db2.gz QPPJWHSBSSEEGG-HBNTYKKESA-N 1 3 216.325 -0.124 10 0 BBAEHO CN(C)C[C@]1(C)OC[C@H](C[NH+](C)C)[C@@H]1O ZINC000100307875 384633719 /nfs/dbraw/zinc/63/37/19/384633719.db2.gz QPPJWHSBSSEEGG-DCAQKATOSA-N 1 3 216.325 -0.124 10 0 BBAEHO CN(C)C[C@]1(C)OC[C@H](C[NH+](C)C)[C@H]1O ZINC000100307881 384633290 /nfs/dbraw/zinc/63/32/90/384633290.db2.gz QPPJWHSBSSEEGG-AXFHLTTASA-N 1 3 216.325 -0.124 10 0 BBAEHO CNC(=O)CCN1CCN(C(C)(C)C[NH3+])CC1 ZINC000104059903 173254149 /nfs/dbraw/zinc/25/41/49/173254149.db2.gz MBXHBZVNEWWONP-UHFFFAOYSA-N 1 3 242.367 -0.523 10 0 BBAEHO CN1CC[N@@H+](CC[C@](C)(N)C(N)=O)CC1(C)C ZINC000104127330 173081517 /nfs/dbraw/zinc/08/15/17/173081517.db2.gz YJSDDYVNYFGQLP-LBPRGKRZSA-N 1 3 242.367 -0.395 10 0 BBAEHO CN1CC[N@H+](CC[C@](C)(N)C(N)=O)CC1(C)C ZINC000104127330 173081514 /nfs/dbraw/zinc/08/15/14/173081514.db2.gz YJSDDYVNYFGQLP-LBPRGKRZSA-N 1 3 242.367 -0.395 10 0 BBAEHO CC[C@@H]1CN(CCN2CC[NH2+]CC2)CCN1C ZINC000104144246 171082099 /nfs/dbraw/zinc/08/20/99/171082099.db2.gz HAIOJBZTHIWKKF-CYBMUJFWSA-N 1 3 240.395 -0.082 10 0 BBAEHO CC(C)N[C@@H](CN(C)CCC[NH+](C)C)C(N)=O ZINC000104192351 167132440 /nfs/dbraw/zinc/13/24/40/167132440.db2.gz MFYKSIZFTNLLHI-NSHDSACASA-N 1 3 244.383 -0.278 10 0 BBAEHO CC(C)N[C@H](CN(C)CCC[NH+](C)C)C(N)=O ZINC000104192353 167141021 /nfs/dbraw/zinc/14/10/21/167141021.db2.gz MFYKSIZFTNLLHI-LLVKDONJSA-N 1 3 244.383 -0.278 10 0 BBAEHO CCC[NH2+][C@@](C)(CN(C)CCN(C)C)C(N)=O ZINC000104199514 169284410 /nfs/dbraw/zinc/28/44/10/169284410.db2.gz QJXNFMPWESJAJW-LBPRGKRZSA-N 1 3 244.383 -0.277 10 0 BBAEHO CCC[NH2+][C@](C)(CN(C)CCN(C)C)C(N)=O ZINC000104199517 169293558 /nfs/dbraw/zinc/29/35/58/169293558.db2.gz QJXNFMPWESJAJW-GFCCVEGCSA-N 1 3 244.383 -0.277 10 0 BBAEHO COCCN(C)CCNC(=O)[C@H]1C[NH2+]C[C@H]1C ZINC000104227268 174277043 /nfs/dbraw/zinc/27/70/43/174277043.db2.gz SGSQLBSMVDXJFL-MNOVXSKESA-N 1 3 243.351 -0.464 10 0 BBAEHO COCCN(C)CCNC(=O)[C@H]1C[NH2+]C[C@@H]1C ZINC000104227272 174276961 /nfs/dbraw/zinc/27/69/61/174276961.db2.gz SGSQLBSMVDXJFL-QWRGUYRKSA-N 1 3 243.351 -0.464 10 0 BBAEHO COCCN(C)CCNC(=O)[C@@H]1C[NH2+]C[C@H]1C ZINC000104227276 174278143 /nfs/dbraw/zinc/27/81/43/174278143.db2.gz SGSQLBSMVDXJFL-GHMZBOCLSA-N 1 3 243.351 -0.464 10 0 BBAEHO COCCN(C)CCNC(=O)[C@@H]1C[NH2+]C[C@@H]1C ZINC000104227280 174277454 /nfs/dbraw/zinc/27/74/54/174277454.db2.gz SGSQLBSMVDXJFL-WDEREUQCSA-N 1 3 243.351 -0.464 10 0 BBAEHO CN1CC[C@H](NC(=O)COC2CC[NH2+]CC2)C1 ZINC000104388334 173151112 /nfs/dbraw/zinc/15/11/12/173151112.db2.gz RGCHHQDNEGSZEC-JTQLQIEISA-N 1 3 241.335 -0.425 10 0 BBAEHO CN1CC[C@@H](NC(=O)COC2CC[NH2+]CC2)C1 ZINC000104388337 173121292 /nfs/dbraw/zinc/12/12/92/173121292.db2.gz RGCHHQDNEGSZEC-SNVBAGLBSA-N 1 3 241.335 -0.425 10 0 BBAEHO C[C@@H]1CN(C[C@@H]2CNCCO2)C[C@@H]1[NH+](C)C ZINC000124192401 631267245 /nfs/dbraw/zinc/26/72/45/631267245.db2.gz ASZGAPDHVFXYOG-WOPDTQHZSA-N 1 3 227.352 -0.143 10 0 BBAEHO C[C@@H]1CN(C[C@H](O)C[NH3+])C[C@H](C)N1C ZINC000127694081 344606969 /nfs/dbraw/zinc/60/69/69/344606969.db2.gz DBYGOHHMARXCFZ-KXUCPTDWSA-N 1 3 201.314 -0.670 10 0 BBAEHO C[C@H]1CN(C[C@H](O)C[NH3+])C[C@H](C)N1C ZINC000127694305 344607099 /nfs/dbraw/zinc/60/70/99/344607099.db2.gz DBYGOHHMARXCFZ-LPEHRKFASA-N 1 3 201.314 -0.670 10 0 BBAEHO C[C@@H]1CN(C[C@H](O)C[NH3+])C[C@@H](C)N1C ZINC000127694511 344607133 /nfs/dbraw/zinc/60/71/33/344607133.db2.gz DBYGOHHMARXCFZ-OPRDCNLKSA-N 1 3 201.314 -0.670 10 0 BBAEHO CC[NH+](CC)CCNC(=O)C1(N)CCOCC1 ZINC000127696519 582818590 /nfs/dbraw/zinc/81/85/90/582818590.db2.gz HNYDNQSRFLUSGA-UHFFFAOYSA-N 1 3 243.351 -0.048 10 0 BBAEHO [NH3+]C1(C(=O)NCCN2CCCC2)CCOCC1 ZINC000127746016 181326289 /nfs/dbraw/zinc/32/62/89/181326289.db2.gz OFLUMNVPXMZLNN-UHFFFAOYSA-N 1 3 241.335 -0.294 10 0 BBAEHO C[NH+](C)C(C)(C)CNC(=O)C1(N)CCOCC1 ZINC000127863828 172393403 /nfs/dbraw/zinc/39/34/03/172393403.db2.gz MMVJYIMHAZGZEY-UHFFFAOYSA-N 1 3 243.351 -0.049 10 0 BBAEHO CC(C)[N@@H+](C)CCNC(=O)C1(N)CCOCC1 ZINC000127921797 188047985 /nfs/dbraw/zinc/04/79/85/188047985.db2.gz OFYCHOUKVUBRMH-UHFFFAOYSA-N 1 3 243.351 -0.049 10 0 BBAEHO CC(C)[N@H+](C)CCNC(=O)C1(N)CCOCC1 ZINC000127921797 188047984 /nfs/dbraw/zinc/04/79/84/188047984.db2.gz OFYCHOUKVUBRMH-UHFFFAOYSA-N 1 3 243.351 -0.049 10 0 BBAEHO C[C@@H]1CN(C[C@H]([NH3+])CO)C[C@H](C)N1C ZINC000127936595 344686729 /nfs/dbraw/zinc/68/67/29/344686729.db2.gz ISKZZYLOSZCBND-AEJSXWLSSA-N 1 3 201.314 -0.670 10 0 BBAEHO CC[C@@H](N)C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000130630002 344151438 /nfs/dbraw/zinc/15/14/38/344151438.db2.gz SXJWKKOBJHXHJM-JLIMGVALSA-N 1 3 211.309 -0.081 10 0 BBAEHO CC[C@@H](N)C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000130630409 344151247 /nfs/dbraw/zinc/15/12/47/344151247.db2.gz SXJWKKOBJHXHJM-SGIHWFKDSA-N 1 3 211.309 -0.081 10 0 BBAEHO COCCNCC(=O)N1CCCC[C@H]1C[NH3+] ZINC000131159801 344241498 /nfs/dbraw/zinc/24/14/98/344241498.db2.gz XNRDMSAFWBAAIF-JTQLQIEISA-N 1 3 229.324 -0.438 10 0 BBAEHO CN(C)CCNC(=O)C(C)(C)N1CC[NH2+]CC1 ZINC000131187899 384791835 /nfs/dbraw/zinc/79/18/35/384791835.db2.gz YSNAOBCTLJBGEQ-UHFFFAOYSA-N 1 3 242.367 -0.652 10 0 BBAEHO C[NH2+]CCN(C)C(=O)C(C)(C)N1CCNCC1 ZINC000131300434 343183060 /nfs/dbraw/zinc/18/30/60/343183060.db2.gz SUJYKXKQFTZDEQ-UHFFFAOYSA-N 1 3 242.367 -0.652 10 0 BBAEHO [NH3+]C[C@H](NC(=O)[C@@H]1CCCCN1)C1CC1 ZINC000131940940 343259476 /nfs/dbraw/zinc/25/94/76/343259476.db2.gz BQVCLCSQUPKYBZ-UWVGGRQHSA-N 1 3 211.309 -0.018 10 0 BBAEHO [NH3+]C[C@H](NC(=O)[C@H]1CCCCN1)C1CC1 ZINC000131941131 325191788 /nfs/dbraw/zinc/19/17/88/325191788.db2.gz BQVCLCSQUPKYBZ-ZJUUUORDSA-N 1 3 211.309 -0.018 10 0 BBAEHO [NH3+]C[C@@H](NC(=O)[C@@H]1CCCCN1)C1CC1 ZINC000131941359 343259566 /nfs/dbraw/zinc/25/95/66/343259566.db2.gz BQVCLCSQUPKYBZ-VHSXEESVSA-N 1 3 211.309 -0.018 10 0 BBAEHO [NH3+]C[C@@H](NC(=O)[C@H]1CCCCN1)C1CC1 ZINC000131941546 322964388 /nfs/dbraw/zinc/96/43/88/322964388.db2.gz BQVCLCSQUPKYBZ-NXEZZACHSA-N 1 3 211.309 -0.018 10 0 BBAEHO CNC(=O)NC(=O)CC[N@H+]1CCC[C@H]1CN ZINC000133232109 173286126 /nfs/dbraw/zinc/28/61/26/173286126.db2.gz LZLJGGJIYAFWFM-QMMMGPOBSA-N 1 3 228.296 -0.745 10 0 BBAEHO CNC(=O)NC(=O)CC[N@@H+]1CCC[C@H]1CN ZINC000133232109 173286125 /nfs/dbraw/zinc/28/61/25/173286125.db2.gz LZLJGGJIYAFWFM-QMMMGPOBSA-N 1 3 228.296 -0.745 10 0 BBAEHO CCC[C@H](N)C(=O)NCC[NH2+]CCOC ZINC000152392312 346256370 /nfs/dbraw/zinc/25/63/70/346256370.db2.gz GVSRIZBHWMFLCZ-VIFPVBQESA-N 1 3 217.313 -0.534 10 0 BBAEHO CCC[C@@H](N)C(=O)NCC[NH2+]CCOC ZINC000152392392 343542423 /nfs/dbraw/zinc/54/24/23/343542423.db2.gz GVSRIZBHWMFLCZ-SECBINFHSA-N 1 3 217.313 -0.534 10 0 BBAEHO COCCNCCNC(=O)[C@H]1CCC[NH2+]C1 ZINC000152503715 343558849 /nfs/dbraw/zinc/55/88/49/343558849.db2.gz NUGFVZGVLSFWHM-JTQLQIEISA-N 1 3 229.324 -0.662 10 0 BBAEHO CC(C(=O)N[C@H]1CCC[C@@H]1C[NH3+])S(C)(=O)=O ZINC000158435499 134732182 /nfs/dbraw/zinc/73/21/82/134732182.db2.gz KSJMBAIXWZPIDK-HLTSFMKQSA-N 1 3 248.348 -0.337 10 0 BBAEHO COCCNCC(=O)N1CCC[C@H]([NH3+])C1 ZINC000158512437 487962229 /nfs/dbraw/zinc/96/22/29/487962229.db2.gz CPPIMWFZTAXPEE-VIFPVBQESA-N 1 3 215.297 -0.828 10 0 BBAEHO C[NH+](C)[C@H]1CCN(C(=O)COC2(C)CNC2)C1 ZINC000161172426 487481911 /nfs/dbraw/zinc/48/19/11/487481911.db2.gz UJTCQJROHACALT-JTQLQIEISA-N 1 3 241.335 -0.473 10 0 BBAEHO C[NH+](C)[C@@H]1CCN(C(=O)COC2(C)CNC2)C1 ZINC000161172556 487481860 /nfs/dbraw/zinc/48/18/60/487481860.db2.gz UJTCQJROHACALT-SNVBAGLBSA-N 1 3 241.335 -0.473 10 0 BBAEHO CN(CCC[NH3+])CC1(O)CCOCC1 ZINC000167146321 384260424 /nfs/dbraw/zinc/26/04/24/384260424.db2.gz TYBJNKTWQYFAGX-UHFFFAOYSA-N 1 3 202.298 -0.192 10 0 BBAEHO CC(C(=O)N[C@@H]1CCC[NH2+][C@H]1C)S(C)(=O)=O ZINC000167654397 134153389 /nfs/dbraw/zinc/15/33/89/134153389.db2.gz FTAVVJQWZWXAIS-DJLDLDEBSA-N 1 3 248.348 -0.324 10 0 BBAEHO CC(C(=O)N[C@H]1CCC[NH2+][C@H]1C)S(C)(=O)=O ZINC000167654606 134153316 /nfs/dbraw/zinc/15/33/16/134153316.db2.gz FTAVVJQWZWXAIS-YIZRAAEISA-N 1 3 248.348 -0.324 10 0 BBAEHO CC(C(=O)NC1CC([NH3+])C1)S(C)(=O)=O ZINC000167805713 347184370 /nfs/dbraw/zinc/18/43/70/347184370.db2.gz LNILXELZQIRBBS-VTSJMVTISA-N 1 3 220.294 -0.975 10 0 BBAEHO CC(C(=O)NC1CC([NH3+])C1)S(C)(=O)=O ZINC000167805830 356447067 /nfs/dbraw/zinc/44/70/67/356447067.db2.gz LNILXELZQIRBBS-GRQBKTHUSA-N 1 3 220.294 -0.975 10 0 BBAEHO O=C1CC[C@@H](CN[C@H]2CCC[NH2+]CC2)N1 ZINC000168757258 487540761 /nfs/dbraw/zinc/54/07/61/487540761.db2.gz DUJZKHNRFJDFSQ-UWVGGRQHSA-N 1 3 211.309 -0.003 10 0 BBAEHO O=C1CC[C@@H](CN[C@@H]2CCC[NH2+]CC2)N1 ZINC000168757345 487540772 /nfs/dbraw/zinc/54/07/72/487540772.db2.gz DUJZKHNRFJDFSQ-ZJUUUORDSA-N 1 3 211.309 -0.003 10 0 BBAEHO C[C@@H]([NH3+])CCNC(=O)C[C@@H]1CSCCN1 ZINC000178744135 346711698 /nfs/dbraw/zinc/71/16/98/346711698.db2.gz BJQBOHUQVCWQHL-RKDXNWHRSA-N 1 3 231.365 -0.065 10 0 BBAEHO C[C@@H]([NH3+])CCNC(=O)C[C@H]1CSCCN1 ZINC000178744150 346711929 /nfs/dbraw/zinc/71/19/29/346711929.db2.gz BJQBOHUQVCWQHL-BDAKNGLRSA-N 1 3 231.365 -0.065 10 0 BBAEHO O=C(N1CCN2CCC[C@@H]2C1)[C@]1(F)CC[NH2+]C1 ZINC000178784372 635700794 /nfs/dbraw/zinc/70/07/94/635700794.db2.gz ZRXPAKZEUVFCKX-PWSUYJOCSA-N 1 3 241.310 -0.005 10 0 BBAEHO O=C(N1CCN2CCC[C@H]2C1)[C@]1(F)CC[NH2+]C1 ZINC000178784384 635701444 /nfs/dbraw/zinc/70/14/44/635701444.db2.gz ZRXPAKZEUVFCKX-JQWIXIFHSA-N 1 3 241.310 -0.005 10 0 BBAEHO C[C@@H]1CN(CC2CC[NH2+]CC2)C[C@H](C(N)=O)O1 ZINC000178977396 134314164 /nfs/dbraw/zinc/31/41/64/134314164.db2.gz IFASOPSBAVNGKY-MWLCHTKSSA-N 1 3 241.335 -0.439 10 0 BBAEHO C[C@@H]1CN(CC2CC[NH2+]CC2)C[C@@H](C(N)=O)O1 ZINC000178977403 134314035 /nfs/dbraw/zinc/31/40/35/134314035.db2.gz IFASOPSBAVNGKY-KOLCDFICSA-N 1 3 241.335 -0.439 10 0 BBAEHO CN(C)C[C@@H]1CN(C(=O)[C@@H]2CCC[NH2+]2)CCO1 ZINC000182199767 386396974 /nfs/dbraw/zinc/39/69/74/386396974.db2.gz GTPYARLGCOFIRF-MNOVXSKESA-N 1 3 241.335 -0.473 10 0 BBAEHO CN(C)C[C@H]1CN(C(=O)[C@@H]2CCC[NH2+]2)CCO1 ZINC000182199784 386396142 /nfs/dbraw/zinc/39/61/42/386396142.db2.gz GTPYARLGCOFIRF-QWRGUYRKSA-N 1 3 241.335 -0.473 10 0 BBAEHO CN(C)C[C@@H]1CN(C(=O)[C@H]2CCC[NH2+]2)CCO1 ZINC000182199805 386397768 /nfs/dbraw/zinc/39/77/68/386397768.db2.gz GTPYARLGCOFIRF-GHMZBOCLSA-N 1 3 241.335 -0.473 10 0 BBAEHO CN(C)C[C@H]1CN(C(=O)[C@H]2CCC[NH2+]2)CCO1 ZINC000182199820 386397424 /nfs/dbraw/zinc/39/74/24/386397424.db2.gz GTPYARLGCOFIRF-WDEREUQCSA-N 1 3 241.335 -0.473 10 0 BBAEHO CN(C)C[C@@H]1CN(C(=O)C[NH2+]C2CC2)CCO1 ZINC000182199913 366873855 /nfs/dbraw/zinc/87/38/55/366873855.db2.gz DCLZGOKOTKXYTG-LLVKDONJSA-N 1 3 241.335 -0.473 10 0 BBAEHO CN(C)C[C@H]1CN(C(=O)C[NH2+]C2CC2)CCO1 ZINC000182199926 366874062 /nfs/dbraw/zinc/87/40/62/366874062.db2.gz DCLZGOKOTKXYTG-NSHDSACASA-N 1 3 241.335 -0.473 10 0 BBAEHO [NH3+][C@@H]1CC[C@H]2CN(C(=O)CNC3CC3)C[C@@H]12 ZINC000185137903 367120822 /nfs/dbraw/zinc/12/08/22/367120822.db2.gz AMKGBHIHCBTIEK-JMJZKYOTSA-N 1 3 223.320 -0.066 10 0 BBAEHO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)CNC3CC3)C[C@@H]12 ZINC000185137924 367121800 /nfs/dbraw/zinc/12/18/00/367121800.db2.gz AMKGBHIHCBTIEK-FBIMIBRVSA-N 1 3 223.320 -0.066 10 0 BBAEHO C[NH2+][C@@H]1CCCN(C(=O)[C@H]2C[C@H](F)CN2)C1 ZINC000188183680 398344659 /nfs/dbraw/zinc/34/46/59/398344659.db2.gz XOMQLZKMSYYTSR-IVZWLZJFSA-N 1 3 229.299 -0.103 10 0 BBAEHO C[NH2+][C@H]1CCCN(C(=O)[C@H]2C[C@H](F)CN2)C1 ZINC000188183707 398344643 /nfs/dbraw/zinc/34/46/43/398344643.db2.gz XOMQLZKMSYYTSR-LPEHRKFASA-N 1 3 229.299 -0.103 10 0 BBAEHO [NH3+][C@@H]1CC[C@H]2CN(C(=O)[C@H]3C[C@H](F)CN3)C[C@H]12 ZINC000188801346 344010014 /nfs/dbraw/zinc/01/00/14/344010014.db2.gz ORQBRFPDFMDSPM-LADJIXMOSA-N 1 3 241.310 -0.118 10 0 BBAEHO [NH3+][C@@H]1CC[C@H]2CN(C(=O)[C@H]3C[C@H](F)CN3)C[C@@H]12 ZINC000188801393 344010006 /nfs/dbraw/zinc/01/00/06/344010006.db2.gz ORQBRFPDFMDSPM-FBDQPXRJSA-N 1 3 241.310 -0.118 10 0 BBAEHO COCCNCC(=O)N[C@@H]1CCC[NH2+][C@H]1C ZINC000193523968 388366190 /nfs/dbraw/zinc/36/61/90/388366190.db2.gz KZPGMMJXWWEVMP-VHSXEESVSA-N 1 3 229.324 -0.521 10 0 BBAEHO COCCNCC(=O)N[C@H]1CCC[NH2+][C@@H]1C ZINC000193523981 388366322 /nfs/dbraw/zinc/36/63/22/388366322.db2.gz KZPGMMJXWWEVMP-ZJUUUORDSA-N 1 3 229.324 -0.521 10 0 BBAEHO COCCNCC(=O)N[C@H]1CCC[NH2+][C@H]1C ZINC000193523999 388366198 /nfs/dbraw/zinc/36/61/98/388366198.db2.gz KZPGMMJXWWEVMP-UWVGGRQHSA-N 1 3 229.324 -0.521 10 0 BBAEHO C[C@H]1[NH2+]CCC[C@H]1NC(=O)CNC1CC1 ZINC000193545187 388370330 /nfs/dbraw/zinc/37/03/30/388370330.db2.gz RDRWWPDRBYCRPA-PSASIEDQSA-N 1 3 211.309 -0.005 10 0 BBAEHO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)CNC1CC1 ZINC000193545200 388370346 /nfs/dbraw/zinc/37/03/46/388370346.db2.gz RDRWWPDRBYCRPA-WCBMZHEXSA-N 1 3 211.309 -0.005 10 0 BBAEHO C[C@H]1[NH2+]CCC[C@@H]1NC(=O)CNC1CC1 ZINC000193545213 388370673 /nfs/dbraw/zinc/37/06/73/388370673.db2.gz RDRWWPDRBYCRPA-SCZZXKLOSA-N 1 3 211.309 -0.005 10 0 BBAEHO O=C([C@H]1C[C@H](F)CN1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000195263820 397923615 /nfs/dbraw/zinc/92/36/15/397923615.db2.gz QNUWJMDVZGZDQF-QCLAVDOMSA-N 1 3 227.283 -0.636 10 0 BBAEHO CN1CCN(C[C@@H](O)C[NH3+])CC1(C)C ZINC000216508768 349508053 /nfs/dbraw/zinc/50/80/53/349508053.db2.gz JBHMUIDEKAKRKM-VIFPVBQESA-N 1 3 201.314 -0.668 10 0 BBAEHO CO[C@H]1C[NH2+][C@@H](C(=O)NCCN(C)C2CC2)C1 ZINC000217774095 411231037 /nfs/dbraw/zinc/23/10/37/411231037.db2.gz BHFFDEHZZMESLJ-GHMZBOCLSA-N 1 3 241.335 -0.426 10 0 BBAEHO NC(=O)[C@@H]1CCN(C[C@@H]2CCC[NH2+]C2)C1 ZINC000220358218 388603321 /nfs/dbraw/zinc/60/33/21/388603321.db2.gz XJKGYSUHSRCISD-NXEZZACHSA-N 1 3 211.309 -0.207 10 0 BBAEHO NC(=O)[C@@H]1CC[N@@H+](C[C@@H]2CCCNC2)C1 ZINC000220358218 388603317 /nfs/dbraw/zinc/60/33/17/388603317.db2.gz XJKGYSUHSRCISD-NXEZZACHSA-N 1 3 211.309 -0.207 10 0 BBAEHO NC(=O)[C@@H]1CC[N@H+](C[C@@H]2CCCNC2)C1 ZINC000220358218 388603315 /nfs/dbraw/zinc/60/33/15/388603315.db2.gz XJKGYSUHSRCISD-NXEZZACHSA-N 1 3 211.309 -0.207 10 0 BBAEHO NC(=O)[C@H]1CCN(C[C@@H]2CCC[NH2+]C2)C1 ZINC000220358281 388603663 /nfs/dbraw/zinc/60/36/63/388603663.db2.gz XJKGYSUHSRCISD-ZJUUUORDSA-N 1 3 211.309 -0.207 10 0 BBAEHO NC(=O)[C@H]1CC[N@@H+](C[C@@H]2CCCNC2)C1 ZINC000220358281 388603661 /nfs/dbraw/zinc/60/36/61/388603661.db2.gz XJKGYSUHSRCISD-ZJUUUORDSA-N 1 3 211.309 -0.207 10 0 BBAEHO NC(=O)[C@H]1CC[N@H+](C[C@@H]2CCCNC2)C1 ZINC000220358281 388603659 /nfs/dbraw/zinc/60/36/59/388603659.db2.gz XJKGYSUHSRCISD-ZJUUUORDSA-N 1 3 211.309 -0.207 10 0 BBAEHO CC(C)(C)OC(=O)NCCOC(CN)C[NH3+] ZINC000222915709 350256133 /nfs/dbraw/zinc/25/61/33/350256133.db2.gz OCSBGMFPCREWCK-UHFFFAOYSA-N 1 3 233.312 -0.186 10 0 BBAEHO CN1CCC[C@@H]1CNC(=O)[C@@H]1CC[NH2+]C1 ZINC000226394871 388717211 /nfs/dbraw/zinc/71/72/11/388717211.db2.gz AMKZHSZEABHFOS-NXEZZACHSA-N 1 3 211.309 -0.194 10 0 BBAEHO CN1CCC[C@H]1CNC(=O)[C@@H]1CC[NH2+]C1 ZINC000226394878 388717343 /nfs/dbraw/zinc/71/73/43/388717343.db2.gz AMKZHSZEABHFOS-ZJUUUORDSA-N 1 3 211.309 -0.194 10 0 BBAEHO CCN1CCC[C@@H](NC(=O)[C@@H]([NH3+])CCOC)C1 ZINC000226523715 635433500 /nfs/dbraw/zinc/43/35/00/635433500.db2.gz AGUFEPBBUPZZAC-MNOVXSKESA-N 1 3 243.351 -0.049 10 0 BBAEHO CO[C@H]1C[NH2+][C@@H](C(=O)NC[C@@H](C)N(C)C)C1 ZINC000226693860 487868568 /nfs/dbraw/zinc/86/85/68/487868568.db2.gz IAJACQMSSXCVRS-OPRDCNLKSA-N 1 3 229.324 -0.570 10 0 BBAEHO [NH3+][C@@H]1CC[C@@H](NC[C@@]2(O)CCOC2)C1 ZINC000227119797 371788027 /nfs/dbraw/zinc/78/80/27/371788027.db2.gz OTCQVOCMGINDNR-BBBLOLIVSA-N 1 3 200.282 -0.393 10 0 BBAEHO [NH3+][C@@H]1CC[C@H](NC[C@@]2(O)CCOC2)C1 ZINC000227119810 371787713 /nfs/dbraw/zinc/78/77/13/371787713.db2.gz OTCQVOCMGINDNR-UTLUCORTSA-N 1 3 200.282 -0.393 10 0 BBAEHO C([C@H]1CNCCO1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000227459298 487914483 /nfs/dbraw/zinc/91/44/83/487914483.db2.gz XDRRRVJCIXSEFC-VXGBXAGGSA-N 1 3 225.336 -0.245 10 0 BBAEHO C([C@H]1CNCCO1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000227459298 487914480 /nfs/dbraw/zinc/91/44/80/487914480.db2.gz XDRRRVJCIXSEFC-VXGBXAGGSA-N 1 3 225.336 -0.245 10 0 BBAEHO N[C@@H]1COC[C@@H]1C[N@H+]1CCCOCC1 ZINC000227617927 371905194 /nfs/dbraw/zinc/90/51/94/371905194.db2.gz RGKPOFJIIXGVOC-VHSXEESVSA-N 1 3 200.282 -0.318 10 0 BBAEHO N[C@@H]1COC[C@@H]1C[N@@H+]1CCCOCC1 ZINC000227617927 371905188 /nfs/dbraw/zinc/90/51/88/371905188.db2.gz RGKPOFJIIXGVOC-VHSXEESVSA-N 1 3 200.282 -0.318 10 0 BBAEHO [NH3+][C@@H]1COC[C@@H]1CN1CCCOCC1 ZINC000227617927 371905184 /nfs/dbraw/zinc/90/51/84/371905184.db2.gz RGKPOFJIIXGVOC-VHSXEESVSA-N 1 3 200.282 -0.318 10 0 BBAEHO N[C@@H]1COC[C@H]1C[N@H+]1CCCOCC1 ZINC000227617933 371905556 /nfs/dbraw/zinc/90/55/56/371905556.db2.gz RGKPOFJIIXGVOC-NXEZZACHSA-N 1 3 200.282 -0.318 10 0 BBAEHO N[C@@H]1COC[C@H]1C[N@@H+]1CCCOCC1 ZINC000227617933 371905553 /nfs/dbraw/zinc/90/55/53/371905553.db2.gz RGKPOFJIIXGVOC-NXEZZACHSA-N 1 3 200.282 -0.318 10 0 BBAEHO [NH3+][C@@H]1COC[C@H]1CN1CCCOCC1 ZINC000227617933 371905546 /nfs/dbraw/zinc/90/55/46/371905546.db2.gz RGKPOFJIIXGVOC-NXEZZACHSA-N 1 3 200.282 -0.318 10 0 BBAEHO CN(C)[C@@H]1CCC[N@@H+](CC[C@@H](N)C(N)=O)C1 ZINC000227706687 538718360 /nfs/dbraw/zinc/71/83/60/538718360.db2.gz ZGEAMABHFOBHMZ-NXEZZACHSA-N 1 3 228.340 -0.785 10 0 BBAEHO CN(C)[C@@H]1CCC[N@H+](CC[C@@H](N)C(N)=O)C1 ZINC000227706687 538718353 /nfs/dbraw/zinc/71/83/53/538718353.db2.gz ZGEAMABHFOBHMZ-NXEZZACHSA-N 1 3 228.340 -0.785 10 0 BBAEHO C[NH+](C)[C@@H]1CCCN(CC[C@@H](N)C(N)=O)C1 ZINC000227706687 538718343 /nfs/dbraw/zinc/71/83/43/538718343.db2.gz ZGEAMABHFOBHMZ-NXEZZACHSA-N 1 3 228.340 -0.785 10 0 BBAEHO CN(C)[C@H]1CCC[N@@H+](CC[C@@H](N)C(N)=O)C1 ZINC000227706693 538718537 /nfs/dbraw/zinc/71/85/37/538718537.db2.gz ZGEAMABHFOBHMZ-VHSXEESVSA-N 1 3 228.340 -0.785 10 0 BBAEHO CN(C)[C@H]1CCC[N@H+](CC[C@@H](N)C(N)=O)C1 ZINC000227706693 538718530 /nfs/dbraw/zinc/71/85/30/538718530.db2.gz ZGEAMABHFOBHMZ-VHSXEESVSA-N 1 3 228.340 -0.785 10 0 BBAEHO C[NH+](C)[C@H]1CCCN(CC[C@@H](N)C(N)=O)C1 ZINC000227706693 538718524 /nfs/dbraw/zinc/71/85/24/538718524.db2.gz ZGEAMABHFOBHMZ-VHSXEESVSA-N 1 3 228.340 -0.785 10 0 BBAEHO COCCN(C)CCNC(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000227813037 174278020 /nfs/dbraw/zinc/27/80/20/174278020.db2.gz JNVMHEJLMYHOOA-GHMZBOCLSA-N 1 3 243.351 -0.192 10 0 BBAEHO COCCN(C)CCNC(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000227813044 174277248 /nfs/dbraw/zinc/27/72/48/174277248.db2.gz JNVMHEJLMYHOOA-WDEREUQCSA-N 1 3 243.351 -0.192 10 0 BBAEHO C[C@@H]1CN(C[C@@H]([NH3+])CO)C[C@H](C)N1C ZINC000228861146 372084382 /nfs/dbraw/zinc/08/43/82/372084382.db2.gz ISKZZYLOSZCBND-KXUCPTDWSA-N 1 3 201.314 -0.670 10 0 BBAEHO NC1CC([NH2+]C2CCS(=O)CC2)C1 ZINC000229178474 372124622 /nfs/dbraw/zinc/12/46/22/372124622.db2.gz QQFKQGVQFOKVLR-UHFFFAOYSA-N 1 3 202.323 -0.023 10 0 BBAEHO [NH3+]C1CC(NC2CCS(=O)CC2)C1 ZINC000229178474 372124616 /nfs/dbraw/zinc/12/46/16/372124616.db2.gz QQFKQGVQFOKVLR-UHFFFAOYSA-N 1 3 202.323 -0.023 10 0 BBAEHO CN1CCC[C@@H]1CNC(=O)C1([NH3+])CCOCC1 ZINC000229217786 173031387 /nfs/dbraw/zinc/03/13/87/173031387.db2.gz MUMRHKUIKUPBTH-SNVBAGLBSA-N 1 3 241.335 -0.295 10 0 BBAEHO CN1CCC[C@H]1CNC(=O)C1([NH3+])CCOCC1 ZINC000229217798 173052717 /nfs/dbraw/zinc/05/27/17/173052717.db2.gz MUMRHKUIKUPBTH-JTQLQIEISA-N 1 3 241.335 -0.295 10 0 BBAEHO [NH3+][C@@H]1CCOC[C@@H]1CN1CC[C@@H](O)C1 ZINC000231325027 353593587 /nfs/dbraw/zinc/59/35/87/353593587.db2.gz AAQQSDPQYWRSOM-IVZWLZJFSA-N 1 3 200.282 -0.583 10 0 BBAEHO [NH3+][C@@H]1CCOC[C@H]1CN1CC[C@@H](O)C1 ZINC000231325032 359776802 /nfs/dbraw/zinc/77/68/02/359776802.db2.gz AAQQSDPQYWRSOM-OPRDCNLKSA-N 1 3 200.282 -0.583 10 0 BBAEHO CN(CCC(=O)NC(N)=O)[C@@H]1CCC[NH2+]CC1 ZINC000231669964 353641992 /nfs/dbraw/zinc/64/19/92/353641992.db2.gz RUZYJFGWFLYBCR-SECBINFHSA-N 1 3 242.323 -0.355 10 0 BBAEHO CN(CCC(=O)NC(N)=O)[C@H]1CCC[NH2+]CC1 ZINC000231669968 353642566 /nfs/dbraw/zinc/64/25/66/353642566.db2.gz RUZYJFGWFLYBCR-VIFPVBQESA-N 1 3 242.323 -0.355 10 0 BBAEHO CO[C@@H](C[NH3+])CC(=O)N1CC[C@@H](N(C)C)C1 ZINC000232120305 342787894 /nfs/dbraw/zinc/78/78/94/342787894.db2.gz XMWBREOCHCKJIS-NXEZZACHSA-N 1 3 229.324 -0.487 10 0 BBAEHO CO[C@H](C[NH3+])CC(=O)N1CC[C@@H](N(C)C)C1 ZINC000232120307 342787855 /nfs/dbraw/zinc/78/78/55/342787855.db2.gz XMWBREOCHCKJIS-ZJUUUORDSA-N 1 3 229.324 -0.487 10 0 BBAEHO CO[C@@H](C[NH3+])CC(=O)N1CC[C@H](N(C)C)C1 ZINC000232120308 342787926 /nfs/dbraw/zinc/78/79/26/342787926.db2.gz XMWBREOCHCKJIS-VHSXEESVSA-N 1 3 229.324 -0.487 10 0 BBAEHO CO[C@H](C[NH3+])CC(=O)N1CC[C@H](N(C)C)C1 ZINC000232120310 342788047 /nfs/dbraw/zinc/78/80/47/342788047.db2.gz XMWBREOCHCKJIS-UWVGGRQHSA-N 1 3 229.324 -0.487 10 0 BBAEHO CCC[C@@H](N)C(=O)NCCOCC[NH+](C)C ZINC000233291090 487707507 /nfs/dbraw/zinc/70/75/07/487707507.db2.gz WGAWSOJNMREOEZ-SNVBAGLBSA-N 1 3 231.340 -0.192 10 0 BBAEHO CCC[C@H](N)C(=O)NCCOCC[NH+](C)C ZINC000233353908 487712494 /nfs/dbraw/zinc/71/24/94/487712494.db2.gz WGAWSOJNMREOEZ-JTQLQIEISA-N 1 3 231.340 -0.192 10 0 BBAEHO CN(C)CCOCCNC(=O)[C@@H]1CC[NH2+]C1 ZINC000234225034 342918704 /nfs/dbraw/zinc/91/87/04/342918704.db2.gz SWDMIFWRYOHSLS-SNVBAGLBSA-N 1 3 229.324 -0.710 10 0 BBAEHO CN(C)CCOCCNC(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000234225317 342918824 /nfs/dbraw/zinc/91/88/24/342918824.db2.gz JFLGSRPQVAVJNQ-GHMZBOCLSA-N 1 3 243.351 -0.192 10 0 BBAEHO CN(C)CCOCCNC(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000234225479 342918890 /nfs/dbraw/zinc/91/88/90/342918890.db2.gz JFLGSRPQVAVJNQ-MNOVXSKESA-N 1 3 243.351 -0.192 10 0 BBAEHO CN(C)CCOCCNC(=O)[C@H]1CCC[NH2+]C1 ZINC000234229327 342918733 /nfs/dbraw/zinc/91/87/33/342918733.db2.gz GVZIHGGSYHZTHG-NSHDSACASA-N 1 3 243.351 -0.320 10 0 BBAEHO CN(C)CCOCCNC(=O)[C@H]1CC[NH2+]C1 ZINC000234229740 342918660 /nfs/dbraw/zinc/91/86/60/342918660.db2.gz SWDMIFWRYOHSLS-JTQLQIEISA-N 1 3 229.324 -0.710 10 0 BBAEHO CN(C)CCOCCNC(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000234229921 342918871 /nfs/dbraw/zinc/91/88/71/342918871.db2.gz JFLGSRPQVAVJNQ-WDEREUQCSA-N 1 3 243.351 -0.192 10 0 BBAEHO CN(C)CCOCCNC(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000234230121 342918844 /nfs/dbraw/zinc/91/88/44/342918844.db2.gz JFLGSRPQVAVJNQ-QWRGUYRKSA-N 1 3 243.351 -0.192 10 0 BBAEHO CN(C)CCOCC[NH2+]CC(C)(C)O ZINC000234245178 342919134 /nfs/dbraw/zinc/91/91/34/342919134.db2.gz IXLPYWCHOPGEQX-UHFFFAOYSA-N 1 3 204.314 -0.075 10 0 BBAEHO C[C@@H]1CC[N@@H+](CCC(=O)NC(N)=O)[C@@H](CN)C1 ZINC000235277997 176168153 /nfs/dbraw/zinc/16/81/53/176168153.db2.gz VBRASGRZPCYBER-RKDXNWHRSA-N 1 3 242.323 -0.369 10 0 BBAEHO C[C@@H]1CC[N@H+](CCC(=O)NC(N)=O)[C@@H](CN)C1 ZINC000235277997 176168152 /nfs/dbraw/zinc/16/81/52/176168152.db2.gz VBRASGRZPCYBER-RKDXNWHRSA-N 1 3 242.323 -0.369 10 0 BBAEHO C[C@@H]1C[NH2+]C[C@H]1C(=O)NCCOCCN(C)C ZINC000235289177 388367411 /nfs/dbraw/zinc/36/74/11/388367411.db2.gz NNFRNLUZSKXDAS-GHMZBOCLSA-N 1 3 243.351 -0.464 10 0 BBAEHO C[C@@H](CNC(=O)[C@@H]1C[NH2+]C[C@H]1C)N(C)C ZINC000235290659 487940586 /nfs/dbraw/zinc/94/05/86/487940586.db2.gz LBXWRTMTASGDIO-KXUCPTDWSA-N 1 3 213.325 -0.092 10 0 BBAEHO C[C@@H](O)C1CCN(CCN2CC[NH2+]CC2)CC1 ZINC000235292975 342998720 /nfs/dbraw/zinc/99/87/20/342998720.db2.gz HDUGLQYPLJJBGN-GFCCVEGCSA-N 1 3 241.379 -0.016 10 0 BBAEHO C[C@H](O)C1CCN(CCN2CC[NH2+]CC2)CC1 ZINC000235545333 343048078 /nfs/dbraw/zinc/04/80/78/343048078.db2.gz HDUGLQYPLJJBGN-LBPRGKRZSA-N 1 3 241.379 -0.016 10 0 BBAEHO C[C@H]1CC[N@@H+](CCC(=O)NC(N)=O)[C@@H](CN)C1 ZINC000235596188 177158881 /nfs/dbraw/zinc/15/88/81/177158881.db2.gz VBRASGRZPCYBER-DTWKUNHWSA-N 1 3 242.323 -0.369 10 0 BBAEHO C[C@H]1CC[N@H+](CCC(=O)NC(N)=O)[C@@H](CN)C1 ZINC000235596188 177158879 /nfs/dbraw/zinc/15/88/79/177158879.db2.gz VBRASGRZPCYBER-DTWKUNHWSA-N 1 3 242.323 -0.369 10 0 BBAEHO [NH3+]C[C@@H]1CCC[C@@H]1N1C[C@@H](O)[C@@H](O)C1 ZINC000236170510 346203865 /nfs/dbraw/zinc/20/38/65/346203865.db2.gz CIWJTLSNVULSDH-AATLWQCWSA-N 1 3 200.282 -0.849 10 0 BBAEHO NCc1ccnc2nc(CCC[NH3+])nn21 ZINC000236189050 643608934 /nfs/dbraw/zinc/60/89/34/643608934.db2.gz RSHAEGRHUNGVHJ-UHFFFAOYSA-N 1 3 206.253 -0.526 10 0 BBAEHO [NH3+]C[C@@H]1CCC[C@H]1N1C[C@@H](O)[C@@H](O)C1 ZINC000236212018 344319693 /nfs/dbraw/zinc/31/96/93/344319693.db2.gz CIWJTLSNVULSDH-QCLAVDOMSA-N 1 3 200.282 -0.849 10 0 BBAEHO [NH3+]CCc1nc2ncc3c(n2n1)CCNC3 ZINC000236247659 582643082 /nfs/dbraw/zinc/64/30/82/582643082.db2.gz UVSMZEIQBZWRIH-UHFFFAOYSA-N 1 3 218.264 -0.729 10 0 BBAEHO [NH3+][C@@H]1CCC[C@@H](N2C[C@@H](O)[C@@H](O)C2)C1 ZINC000236303708 346225426 /nfs/dbraw/zinc/22/54/26/346225426.db2.gz DMCSBDPNAMEFNU-KYXWUPHJSA-N 1 3 200.282 -0.706 10 0 BBAEHO [NH3+][C@@H]1CCC[C@H](N2C[C@@H](O)[C@@H](O)C2)C1 ZINC000236310453 346223934 /nfs/dbraw/zinc/22/39/34/346223934.db2.gz DMCSBDPNAMEFNU-RGOKHQFPSA-N 1 3 200.282 -0.706 10 0 BBAEHO CCC[C@H](N)C(=O)NCCN1CC[NH2+]CC1 ZINC000236855412 343113586 /nfs/dbraw/zinc/11/35/86/343113586.db2.gz JCHHJEMKHNYXDY-JTQLQIEISA-N 1 3 228.340 -0.865 10 0 BBAEHO COCCNCC(=O)N1CCC[C@@H]1C[NH3+] ZINC000237148528 343127467 /nfs/dbraw/zinc/12/74/67/343127467.db2.gz BPOYGMRERDQWKM-SECBINFHSA-N 1 3 215.297 -0.828 10 0 BBAEHO COCCNCC(=O)N1CCC[C@H]1C[NH3+] ZINC000237150401 343127081 /nfs/dbraw/zinc/12/70/81/343127081.db2.gz BPOYGMRERDQWKM-VIFPVBQESA-N 1 3 215.297 -0.828 10 0 BBAEHO O=C(N1CCN2CCC[C@H]2C1)[C@@]1(F)CC[NH2+]C1 ZINC000246748687 644603998 /nfs/dbraw/zinc/60/39/98/644603998.db2.gz ZRXPAKZEUVFCKX-CMPLNLGQSA-N 1 3 241.310 -0.005 10 0 BBAEHO O=C(N1CCN2CCC[C@@H]2C1)[C@@]1(F)CC[NH2+]C1 ZINC000246750050 644604361 /nfs/dbraw/zinc/60/43/61/644604361.db2.gz ZRXPAKZEUVFCKX-ZYHUDNBSSA-N 1 3 241.310 -0.005 10 0 BBAEHO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)CNC3CC3)C[C@H]12 ZINC000248559219 350862782 /nfs/dbraw/zinc/86/27/82/350862782.db2.gz AMKGBHIHCBTIEK-DVVUODLYSA-N 1 3 223.320 -0.066 10 0 BBAEHO [NH3+][C@@H]1CC[C@H]2CN(C(=O)CNC3CC3)C[C@H]12 ZINC000248559222 349137489 /nfs/dbraw/zinc/13/74/89/349137489.db2.gz AMKGBHIHCBTIEK-INTQDDNPSA-N 1 3 223.320 -0.066 10 0 BBAEHO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)[C@H]3C[C@H](F)CN3)C[C@@H]12 ZINC000249000818 349152990 /nfs/dbraw/zinc/15/29/90/349152990.db2.gz ORQBRFPDFMDSPM-RCZSTQMZSA-N 1 3 241.310 -0.118 10 0 BBAEHO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)[C@H]3C[C@H](F)CN3)C[C@H]12 ZINC000249000822 349152981 /nfs/dbraw/zinc/15/29/81/349152981.db2.gz ORQBRFPDFMDSPM-ZKKRXERASA-N 1 3 241.310 -0.118 10 0 BBAEHO COCCN(C)CCNC(=O)[C@@H]1CCC[C@H]1[NH3+] ZINC000249997644 174276797 /nfs/dbraw/zinc/27/67/97/174276797.db2.gz QIQCIAJOXWWCLS-GHMZBOCLSA-N 1 3 243.351 -0.192 10 0 BBAEHO COCCN(C)CCNC(=O)[C@H]1CCC[C@H]1[NH3+] ZINC000249997650 174277206 /nfs/dbraw/zinc/27/72/06/174277206.db2.gz QIQCIAJOXWWCLS-WDEREUQCSA-N 1 3 243.351 -0.192 10 0 BBAEHO C[NH+](C)[C@@H]1CCN(C[C@H]2CNCCO2)C1 ZINC000250348963 362799375 /nfs/dbraw/zinc/79/93/75/362799375.db2.gz IQMQWYBUPIYKBY-GHMZBOCLSA-N 1 3 213.325 -0.389 10 0 BBAEHO C[NH+](C)[C@H]1CCN(C[C@H]2CNCCO2)C1 ZINC000250348965 362800594 /nfs/dbraw/zinc/80/05/94/362800594.db2.gz IQMQWYBUPIYKBY-WDEREUQCSA-N 1 3 213.325 -0.389 10 0 BBAEHO COCC[C@H](N)C(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000250473348 644759440 /nfs/dbraw/zinc/75/94/40/644759440.db2.gz RRGOOMGVZJYEDM-QWRGUYRKSA-N 1 3 241.335 -0.343 10 0 BBAEHO COCC[C@H](N)C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000250473348 644759435 /nfs/dbraw/zinc/75/94/35/644759435.db2.gz RRGOOMGVZJYEDM-QWRGUYRKSA-N 1 3 241.335 -0.343 10 0 BBAEHO COCC[C@@H](N)C(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000250473353 644760476 /nfs/dbraw/zinc/76/04/76/644760476.db2.gz RRGOOMGVZJYEDM-WDEREUQCSA-N 1 3 241.335 -0.343 10 0 BBAEHO COCC[C@@H](N)C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000250473353 644760472 /nfs/dbraw/zinc/76/04/72/644760472.db2.gz RRGOOMGVZJYEDM-WDEREUQCSA-N 1 3 241.335 -0.343 10 0 BBAEHO CN1CCC[C@H](NC(=O)[C@H]2CC[NH2+]C2)C1 ZINC000250595520 487612262 /nfs/dbraw/zinc/61/22/62/487612262.db2.gz IPYCMLZYHRBIKG-UWVGGRQHSA-N 1 3 211.309 -0.194 10 0 BBAEHO CN1CCC[C@@H](NC(=O)[C@H]2CC[NH2+]C2)C1 ZINC000250595524 487735651 /nfs/dbraw/zinc/73/56/51/487735651.db2.gz IPYCMLZYHRBIKG-VHSXEESVSA-N 1 3 211.309 -0.194 10 0 BBAEHO [NH3+]C[C@@H]1CCN(C[C@H]2COCCO2)C1 ZINC000250827292 362822828 /nfs/dbraw/zinc/82/28/28/362822828.db2.gz HVZNRJHDFVDWIA-UWVGGRQHSA-N 1 3 200.282 -0.318 10 0 BBAEHO [NH3+]C[C@H]1CCN(C[C@H]2COCCO2)C1 ZINC000250827295 362822785 /nfs/dbraw/zinc/82/27/85/362822785.db2.gz HVZNRJHDFVDWIA-ZJUUUORDSA-N 1 3 200.282 -0.318 10 0 BBAEHO C[NH2+][C@@H](C)C(=O)N1CCN2CCC[C@H]2C1 ZINC000251017297 349181961 /nfs/dbraw/zinc/18/19/61/349181961.db2.gz BFPNVAFZVDNIKJ-UWVGGRQHSA-N 1 3 211.309 -0.099 10 0 BBAEHO C[NH2+][C@H](C)C(=O)N1CCN2CCC[C@H]2C1 ZINC000251017299 349181810 /nfs/dbraw/zinc/18/18/10/349181810.db2.gz BFPNVAFZVDNIKJ-ZJUUUORDSA-N 1 3 211.309 -0.099 10 0 BBAEHO C[C@H](C[NH3+])[S@@](=O)C1CCN(C)C1=O ZINC000251126906 362839743 /nfs/dbraw/zinc/83/97/43/362839743.db2.gz SMJXYMQLMXVYAJ-DDZXGWPLSA-N 1 3 204.295 -0.687 10 0 BBAEHO C[C@H](C[NH3+])[S@](=O)C1CCN(C)C1=O ZINC000251126908 362839678 /nfs/dbraw/zinc/83/96/78/362839678.db2.gz SMJXYMQLMXVYAJ-HHSDFAELSA-N 1 3 204.295 -0.687 10 0 BBAEHO O=C(N[C@H]1CCN(C2CC2)C1)[C@H]1CC[NH2+]C1 ZINC000251420839 182335057 /nfs/dbraw/zinc/33/50/57/182335057.db2.gz SEWCENCOWDWGHM-UWVGGRQHSA-N 1 3 223.320 -0.051 10 0 BBAEHO O=C(N[C@@H]1CCN(C2CC2)C1)[C@H]1CC[NH2+]C1 ZINC000251420843 182301513 /nfs/dbraw/zinc/30/15/13/182301513.db2.gz SEWCENCOWDWGHM-VHSXEESVSA-N 1 3 223.320 -0.051 10 0 BBAEHO C([C@H]1CNCCO1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000251525118 487765852 /nfs/dbraw/zinc/76/58/52/487765852.db2.gz XDRRRVJCIXSEFC-NWDGAFQWSA-N 1 3 225.336 -0.245 10 0 BBAEHO C([C@H]1CNCCO1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000251525118 487765847 /nfs/dbraw/zinc/76/58/47/487765847.db2.gz XDRRRVJCIXSEFC-NWDGAFQWSA-N 1 3 225.336 -0.245 10 0 BBAEHO C[C@@H]1CN(C[C@@H]2CNCCO2)C[C@H]1[NH+](C)C ZINC000251540784 487766174 /nfs/dbraw/zinc/76/61/74/487766174.db2.gz ASZGAPDHVFXYOG-GRYCIOLGSA-N 1 3 227.352 -0.143 10 0 BBAEHO C[C@@H]1CN(C[C@H]2CNCCO2)C[C@H]1[NH+](C)C ZINC000251540798 487766939 /nfs/dbraw/zinc/76/69/39/487766939.db2.gz ASZGAPDHVFXYOG-IJLUTSLNSA-N 1 3 227.352 -0.143 10 0 BBAEHO C[C@@H]1CN(C[C@H]2CNCCO2)C[C@@H]1[NH+](C)C ZINC000251540806 487767118 /nfs/dbraw/zinc/76/71/18/487767118.db2.gz ASZGAPDHVFXYOG-UTUOFQBUSA-N 1 3 227.352 -0.143 10 0 BBAEHO C[NH2+][C@H](C)C(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000252544353 644864785 /nfs/dbraw/zinc/86/47/85/644864785.db2.gz ICAICLPNQGIEKW-OUAUKWLOSA-N 1 3 241.335 -0.426 10 0 BBAEHO C[NH2+][C@H](C)C(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000252544354 644864957 /nfs/dbraw/zinc/86/49/57/644864957.db2.gz ICAICLPNQGIEKW-VWYCJHECSA-N 1 3 241.335 -0.426 10 0 BBAEHO CCOC[C@@H](O)C[N@H+]1CCC[C@H]1CN ZINC000252683599 644878703 /nfs/dbraw/zinc/87/87/03/644878703.db2.gz DYBPRFLGBKKWQB-UWVGGRQHSA-N 1 3 202.298 -0.193 10 0 BBAEHO CCOC[C@@H](O)C[N@@H+]1CCC[C@H]1CN ZINC000252683599 644878701 /nfs/dbraw/zinc/87/87/01/644878701.db2.gz DYBPRFLGBKKWQB-UWVGGRQHSA-N 1 3 202.298 -0.193 10 0 BBAEHO CCOC[C@H](O)C[N@H+]1CCC[C@H]1CN ZINC000252683600 644878212 /nfs/dbraw/zinc/87/82/12/644878212.db2.gz DYBPRFLGBKKWQB-VHSXEESVSA-N 1 3 202.298 -0.193 10 0 BBAEHO CCOC[C@H](O)C[N@@H+]1CCC[C@H]1CN ZINC000252683600 644878209 /nfs/dbraw/zinc/87/82/09/644878209.db2.gz DYBPRFLGBKKWQB-VHSXEESVSA-N 1 3 202.298 -0.193 10 0 BBAEHO CN1CCN(C2CCN(CC[NH3+])CC2)CC1 ZINC000257756296 582682856 /nfs/dbraw/zinc/68/28/56/582682856.db2.gz PENQDRFUJMTUFZ-UHFFFAOYSA-N 1 3 226.368 -0.343 10 0 BBAEHO CN1CCC[C@@H](NC(=O)NC2C[NH2+]C2)C1 ZINC000258604331 488124815 /nfs/dbraw/zinc/12/48/15/488124815.db2.gz QUNJKXNJGJRGSB-MRVPVSSYSA-N 1 3 212.297 -0.648 10 0 BBAEHO CN1CCC[C@H](NC(=O)NC2C[NH2+]C2)C1 ZINC000258604352 488124834 /nfs/dbraw/zinc/12/48/34/488124834.db2.gz QUNJKXNJGJRGSB-QMMMGPOBSA-N 1 3 212.297 -0.648 10 0 BBAEHO CN1CCC[C@@H]1CNC(=O)NC1C[NH2+]C1 ZINC000258682498 536371369 /nfs/dbraw/zinc/37/13/69/536371369.db2.gz TYOPPKLHKJECJH-SECBINFHSA-N 1 3 212.297 -0.648 10 0 BBAEHO CN1CCC[C@H]1CNC(=O)NC1C[NH2+]C1 ZINC000258682500 135133559 /nfs/dbraw/zinc/13/35/59/135133559.db2.gz TYOPPKLHKJECJH-VIFPVBQESA-N 1 3 212.297 -0.648 10 0 BBAEHO CN1CCC[C@H](NC(=O)C2CC([NH3+])C2)C1 ZINC000258793682 631640745 /nfs/dbraw/zinc/64/07/45/631640745.db2.gz VEVWYZKGBXIMDH-RTBKNWGFSA-N 1 3 211.309 -0.066 10 0 BBAEHO CN1CCC[C@@H](NC(=O)C2CC([NH3+])C2)C1 ZINC000258793683 631639801 /nfs/dbraw/zinc/63/98/01/631639801.db2.gz VEVWYZKGBXIMDH-UDNWOFFPSA-N 1 3 211.309 -0.066 10 0 BBAEHO C[C@@H](O)CN1CCN(CC[NH3+])C[C@H]1C ZINC000261527448 135151848 /nfs/dbraw/zinc/15/18/48/135151848.db2.gz BHQFKVJVSDADHX-NXEZZACHSA-N 1 3 201.314 -0.668 10 0 BBAEHO C[C@H](O)CN1CCN(CC[NH3+])C[C@@H]1C ZINC000261527449 135151606 /nfs/dbraw/zinc/15/16/06/135151606.db2.gz BHQFKVJVSDADHX-UWVGGRQHSA-N 1 3 201.314 -0.668 10 0 BBAEHO C[C@@H](O)CN1CCN(CC[NH3+])C[C@@H]1C ZINC000261527450 135151736 /nfs/dbraw/zinc/15/17/36/135151736.db2.gz BHQFKVJVSDADHX-VHSXEESVSA-N 1 3 201.314 -0.668 10 0 BBAEHO C[C@H](O)CN1CCN(CC[NH3+])C[C@H]1C ZINC000261527451 135151910 /nfs/dbraw/zinc/15/19/10/135151910.db2.gz BHQFKVJVSDADHX-ZJUUUORDSA-N 1 3 201.314 -0.668 10 0 BBAEHO O[C@@H]1C[NH2+]C[C@H]1CNC[C@@H]1CCSC1 ZINC000261528729 135154591 /nfs/dbraw/zinc/15/45/91/135154591.db2.gz VAAZMHWZMBAJLM-IVZWLZJFSA-N 1 3 216.350 -0.091 10 0 BBAEHO O[C@@H]1C[NH2+]C[C@@H]1CNC[C@H]1CCSC1 ZINC000261528730 135154106 /nfs/dbraw/zinc/15/41/06/135154106.db2.gz VAAZMHWZMBAJLM-KXUCPTDWSA-N 1 3 216.350 -0.091 10 0 BBAEHO O[C@@H]1C[NH2+]C[C@@H]1CNC[C@@H]1CCSC1 ZINC000261528731 135154353 /nfs/dbraw/zinc/15/43/53/135154353.db2.gz VAAZMHWZMBAJLM-LPEHRKFASA-N 1 3 216.350 -0.091 10 0 BBAEHO O[C@@H]1C[NH2+]C[C@H]1CNC[C@H]1CCSC1 ZINC000261528732 135154248 /nfs/dbraw/zinc/15/42/48/135154248.db2.gz VAAZMHWZMBAJLM-OPRDCNLKSA-N 1 3 216.350 -0.091 10 0 BBAEHO CC[C@@H]1CN(CC[NH3+])CCN1C[C@@H](C)O ZINC000261529054 135154934 /nfs/dbraw/zinc/15/49/34/135154934.db2.gz AFQBVTZJXNOOGJ-GHMZBOCLSA-N 1 3 215.341 -0.278 10 0 BBAEHO CC[C@H]1CN(CC[NH3+])CCN1C[C@@H](C)O ZINC000261529055 135154761 /nfs/dbraw/zinc/15/47/61/135154761.db2.gz AFQBVTZJXNOOGJ-MNOVXSKESA-N 1 3 215.341 -0.278 10 0 BBAEHO CC[C@H]1CN(CC[NH3+])CCN1C[C@H](C)O ZINC000261529056 135155020 /nfs/dbraw/zinc/15/50/20/135155020.db2.gz AFQBVTZJXNOOGJ-QWRGUYRKSA-N 1 3 215.341 -0.278 10 0 BBAEHO CC[C@@H]1CN(CC[NH3+])CCN1C[C@H](C)O ZINC000261529057 135155294 /nfs/dbraw/zinc/15/52/94/135155294.db2.gz AFQBVTZJXNOOGJ-WDEREUQCSA-N 1 3 215.341 -0.278 10 0 BBAEHO CN1CCC[C@H]1CNC(=O)[C@H]1CC[NH2+]C1 ZINC000261529258 135155357 /nfs/dbraw/zinc/15/53/57/135155357.db2.gz AMKZHSZEABHFOS-UWVGGRQHSA-N 1 3 211.309 -0.194 10 0 BBAEHO CN1CCC[C@@H]1CNC(=O)[C@H]1CC[NH2+]C1 ZINC000261529260 536374357 /nfs/dbraw/zinc/37/43/57/536374357.db2.gz AMKZHSZEABHFOS-VHSXEESVSA-N 1 3 211.309 -0.194 10 0 BBAEHO CC[C@@H]1CN(CC[NH3+])CCN1CCOC ZINC000261535931 135170343 /nfs/dbraw/zinc/17/03/43/135170343.db2.gz PSQMHWRCNFXSHL-LLVKDONJSA-N 1 3 215.341 -0.012 10 0 BBAEHO CC[C@H]1CN(CC[NH3+])CCN1CCOC ZINC000261535932 135170610 /nfs/dbraw/zinc/17/06/10/135170610.db2.gz PSQMHWRCNFXSHL-NSHDSACASA-N 1 3 215.341 -0.012 10 0 BBAEHO NC(=O)[C@H]1CCN(C[C@H]2CCC[NH2+]C2)C1 ZINC000261538074 135175412 /nfs/dbraw/zinc/17/54/12/135175412.db2.gz XJKGYSUHSRCISD-UWVGGRQHSA-N 1 3 211.309 -0.207 10 0 BBAEHO NC(=O)[C@H]1CC[N@@H+](C[C@H]2CCCNC2)C1 ZINC000261538074 135175411 /nfs/dbraw/zinc/17/54/11/135175411.db2.gz XJKGYSUHSRCISD-UWVGGRQHSA-N 1 3 211.309 -0.207 10 0 BBAEHO NC(=O)[C@H]1CC[N@H+](C[C@H]2CCCNC2)C1 ZINC000261538074 135175410 /nfs/dbraw/zinc/17/54/10/135175410.db2.gz XJKGYSUHSRCISD-UWVGGRQHSA-N 1 3 211.309 -0.207 10 0 BBAEHO NC(=O)[C@@H]1CCN(C[C@H]2CCC[NH2+]C2)C1 ZINC000261538075 135175495 /nfs/dbraw/zinc/17/54/95/135175495.db2.gz XJKGYSUHSRCISD-VHSXEESVSA-N 1 3 211.309 -0.207 10 0 BBAEHO NC(=O)[C@@H]1CC[N@@H+](C[C@H]2CCCNC2)C1 ZINC000261538075 135175494 /nfs/dbraw/zinc/17/54/94/135175494.db2.gz XJKGYSUHSRCISD-VHSXEESVSA-N 1 3 211.309 -0.207 10 0 BBAEHO NC(=O)[C@@H]1CC[N@H+](C[C@H]2CCCNC2)C1 ZINC000261538075 135175493 /nfs/dbraw/zinc/17/54/93/135175493.db2.gz XJKGYSUHSRCISD-VHSXEESVSA-N 1 3 211.309 -0.207 10 0 BBAEHO CN(C(=O)C[C@@H]1CSCCN1)C1C[NH2+]C1 ZINC000261542313 536003670 /nfs/dbraw/zinc/00/36/70/536003670.db2.gz GPORLXNIQMWNTP-MRVPVSSYSA-N 1 3 229.349 -0.488 10 0 BBAEHO CN(C(=O)C[C@H]1CSCCN1)C1C[NH2+]C1 ZINC000261542314 536006096 /nfs/dbraw/zinc/00/60/96/536006096.db2.gz GPORLXNIQMWNTP-QMMMGPOBSA-N 1 3 229.349 -0.488 10 0 BBAEHO O[C@@H]1CNC[C@H]1C[NH2+]CC1CCOCC1 ZINC000261543706 135184806 /nfs/dbraw/zinc/18/48/06/135184806.db2.gz HZJPUNQUQNVXOI-GHMZBOCLSA-N 1 3 214.309 -0.417 10 0 BBAEHO O[C@@H]1C[NH2+]C[C@H]1CNCC1CCOCC1 ZINC000261543706 135184804 /nfs/dbraw/zinc/18/48/04/135184804.db2.gz HZJPUNQUQNVXOI-GHMZBOCLSA-N 1 3 214.309 -0.417 10 0 BBAEHO O[C@H]1CNC[C@H]1C[NH2+]CC1CCOCC1 ZINC000261543707 135184877 /nfs/dbraw/zinc/18/48/77/135184877.db2.gz HZJPUNQUQNVXOI-MNOVXSKESA-N 1 3 214.309 -0.417 10 0 BBAEHO O[C@H]1C[NH2+]C[C@H]1CNCC1CCOCC1 ZINC000261543707 135184876 /nfs/dbraw/zinc/18/48/76/135184876.db2.gz HZJPUNQUQNVXOI-MNOVXSKESA-N 1 3 214.309 -0.417 10 0 BBAEHO O[C@H]1CNC[C@@H]1C[NH2+]CC1CCOCC1 ZINC000261543708 135184907 /nfs/dbraw/zinc/18/49/07/135184907.db2.gz HZJPUNQUQNVXOI-QWRGUYRKSA-N 1 3 214.309 -0.417 10 0 BBAEHO O[C@H]1C[NH2+]C[C@@H]1CNCC1CCOCC1 ZINC000261543708 135184906 /nfs/dbraw/zinc/18/49/06/135184906.db2.gz HZJPUNQUQNVXOI-QWRGUYRKSA-N 1 3 214.309 -0.417 10 0 BBAEHO O[C@@H]1CNC[C@@H]1C[NH2+]CC1CCOCC1 ZINC000261543709 135184898 /nfs/dbraw/zinc/18/48/98/135184898.db2.gz HZJPUNQUQNVXOI-WDEREUQCSA-N 1 3 214.309 -0.417 10 0 BBAEHO O[C@@H]1C[NH2+]C[C@@H]1CNCC1CCOCC1 ZINC000261543709 135184897 /nfs/dbraw/zinc/18/48/97/135184897.db2.gz HZJPUNQUQNVXOI-WDEREUQCSA-N 1 3 214.309 -0.417 10 0 BBAEHO C[C@H]1CC[N@@H+](CCC(=O)NC(N)=O)[C@H](CN)C1 ZINC000261543800 135184962 /nfs/dbraw/zinc/18/49/62/135184962.db2.gz VBRASGRZPCYBER-IUCAKERBSA-N 1 3 242.323 -0.369 10 0 BBAEHO C[C@H]1CC[N@H+](CCC(=O)NC(N)=O)[C@H](CN)C1 ZINC000261543800 135184961 /nfs/dbraw/zinc/18/49/61/135184961.db2.gz VBRASGRZPCYBER-IUCAKERBSA-N 1 3 242.323 -0.369 10 0 BBAEHO O[C@@H]1C[NH2+]C[C@@H]1CNCC[C@H]1CCOC1 ZINC000261544556 135186147 /nfs/dbraw/zinc/18/61/47/135186147.db2.gz JAXXQGJEWKZFDH-GARJFASQSA-N 1 3 214.309 -0.417 10 0 BBAEHO O[C@@H]1C[NH2+]C[C@H]1CNCC[C@@H]1CCOC1 ZINC000261544557 135186039 /nfs/dbraw/zinc/18/60/39/135186039.db2.gz JAXXQGJEWKZFDH-GMTAPVOTSA-N 1 3 214.309 -0.417 10 0 BBAEHO O[C@@H]1C[NH2+]C[C@H]1CNCC[C@H]1CCOC1 ZINC000261544558 135186349 /nfs/dbraw/zinc/18/63/49/135186349.db2.gz JAXXQGJEWKZFDH-HBNTYKKESA-N 1 3 214.309 -0.417 10 0 BBAEHO O[C@@H]1C[NH2+]C[C@@H]1CNCC[C@@H]1CCOC1 ZINC000261544559 135185987 /nfs/dbraw/zinc/18/59/87/135185987.db2.gz JAXXQGJEWKZFDH-OUAUKWLOSA-N 1 3 214.309 -0.417 10 0 BBAEHO O[C@@H]1C[NH2+]C[C@@H]1CNC[C@@H]1CCCOC1 ZINC000261546816 135239674 /nfs/dbraw/zinc/23/96/74/135239674.db2.gz LHGAQWPBWWNEEY-GARJFASQSA-N 1 3 214.309 -0.417 10 0 BBAEHO O[C@@H]1C[NH2+]C[C@H]1CNC[C@H]1CCCOC1 ZINC000261546817 135239495 /nfs/dbraw/zinc/23/94/95/135239495.db2.gz LHGAQWPBWWNEEY-GMTAPVOTSA-N 1 3 214.309 -0.417 10 0 BBAEHO O[C@@H]1C[NH2+]C[C@H]1CNC[C@@H]1CCCOC1 ZINC000261546818 135239532 /nfs/dbraw/zinc/23/95/32/135239532.db2.gz LHGAQWPBWWNEEY-HBNTYKKESA-N 1 3 214.309 -0.417 10 0 BBAEHO O[C@@H]1C[NH2+]C[C@@H]1CNC[C@H]1CCCOC1 ZINC000261546819 135239407 /nfs/dbraw/zinc/23/94/07/135239407.db2.gz LHGAQWPBWWNEEY-OUAUKWLOSA-N 1 3 214.309 -0.417 10 0 BBAEHO COCC(C)(C)CNC[C@H]1C[NH2+]C[C@H]1O ZINC000261554142 135193707 /nfs/dbraw/zinc/19/37/07/135193707.db2.gz TZHFTHNCBXFWMB-NXEZZACHSA-N 1 3 216.325 -0.171 10 0 BBAEHO COCC(C)(C)CNC[C@@H]1C[NH2+]C[C@@H]1O ZINC000261554144 135193636 /nfs/dbraw/zinc/19/36/36/135193636.db2.gz TZHFTHNCBXFWMB-UWVGGRQHSA-N 1 3 216.325 -0.171 10 0 BBAEHO COCC(C)(C)CNC[C@@H]1C[NH2+]C[C@H]1O ZINC000261554146 135193628 /nfs/dbraw/zinc/19/36/28/135193628.db2.gz TZHFTHNCBXFWMB-VHSXEESVSA-N 1 3 216.325 -0.171 10 0 BBAEHO COCC(C)(C)CNC[C@H]1C[NH2+]C[C@@H]1O ZINC000261554148 135193738 /nfs/dbraw/zinc/19/37/38/135193738.db2.gz TZHFTHNCBXFWMB-ZJUUUORDSA-N 1 3 216.325 -0.171 10 0 BBAEHO COCCNCC(=O)N1CC[C@H]([NH3+])[C@H]1C ZINC000261555456 135195491 /nfs/dbraw/zinc/19/54/91/135195491.db2.gz UZWAOTOIZULFNO-BDAKNGLRSA-N 1 3 215.297 -0.830 10 0 BBAEHO COCCNCC(=O)N1CC[C@@H]([NH3+])[C@@H]1C ZINC000261555457 135195273 /nfs/dbraw/zinc/19/52/73/135195273.db2.gz UZWAOTOIZULFNO-DTWKUNHWSA-N 1 3 215.297 -0.830 10 0 BBAEHO COCCNCC(=O)N1CC[C@@H]([NH3+])[C@H]1C ZINC000261555459 135195482 /nfs/dbraw/zinc/19/54/82/135195482.db2.gz UZWAOTOIZULFNO-RKDXNWHRSA-N 1 3 215.297 -0.830 10 0 BBAEHO [NH3+][C@@H]1CC[C@@H]2CN(CCN3CCOCC3)C[C@H]12 ZINC000261556108 135195839 /nfs/dbraw/zinc/19/58/39/135195839.db2.gz QHLAHKQSICNWCK-FRRDWIJNSA-N 1 3 239.363 -0.012 10 0 BBAEHO [NH3+][C@@H]1CC[C@@H]2CN(CCN3CCOCC3)C[C@@H]12 ZINC000261556109 135195991 /nfs/dbraw/zinc/19/59/91/135195991.db2.gz QHLAHKQSICNWCK-JHJVBQTASA-N 1 3 239.363 -0.012 10 0 BBAEHO [NH3+][C@@H]1CC[C@H]2CN(CCN3CCOCC3)C[C@H]12 ZINC000261556110 135196069 /nfs/dbraw/zinc/19/60/69/135196069.db2.gz QHLAHKQSICNWCK-RWMBFGLXSA-N 1 3 239.363 -0.012 10 0 BBAEHO [NH3+][C@@H]1CC[C@H]2CN(CCN3CCOCC3)C[C@@H]12 ZINC000261556111 135196396 /nfs/dbraw/zinc/19/63/96/135196396.db2.gz QHLAHKQSICNWCK-YNEHKIRRSA-N 1 3 239.363 -0.012 10 0 BBAEHO C[NH2+]CC(=O)N1C[C@@H](N(C)C)[C@@H](SC)C1 ZINC000261560040 135200359 /nfs/dbraw/zinc/20/03/59/135200359.db2.gz ZKCAGLZPPDOXFU-BDAKNGLRSA-N 1 3 231.365 -0.290 10 0 BBAEHO C[NH2+]CC(=O)N1C[C@@H](SC)[C@@H](N(C)C)C1 ZINC000261560041 135200314 /nfs/dbraw/zinc/20/03/14/135200314.db2.gz ZKCAGLZPPDOXFU-DTWKUNHWSA-N 1 3 231.365 -0.290 10 0 BBAEHO C[NH2+]CC(=O)N1C[C@H](SC)[C@@H](N(C)C)C1 ZINC000261560042 135200122 /nfs/dbraw/zinc/20/01/22/135200122.db2.gz ZKCAGLZPPDOXFU-IUCAKERBSA-N 1 3 231.365 -0.290 10 0 BBAEHO C[NH2+]CC(=O)N1C[C@@H](SC)[C@H](N(C)C)C1 ZINC000261560043 135200662 /nfs/dbraw/zinc/20/06/62/135200662.db2.gz ZKCAGLZPPDOXFU-RKDXNWHRSA-N 1 3 231.365 -0.290 10 0 BBAEHO NC(=O)NC(=O)CCN1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000261560843 135201600 /nfs/dbraw/zinc/20/16/00/135201600.db2.gz UYSLWXBMPSGRSZ-CIUDSAMLSA-N 1 3 240.307 -0.760 10 0 BBAEHO NC(=O)NC(=O)CCN1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000261560844 135201932 /nfs/dbraw/zinc/20/19/32/135201932.db2.gz UYSLWXBMPSGRSZ-DJLDLDEBSA-N 1 3 240.307 -0.760 10 0 BBAEHO NC(=O)NC(=O)CCN1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000261560845 135202041 /nfs/dbraw/zinc/20/20/41/135202041.db2.gz UYSLWXBMPSGRSZ-XHNCKOQMSA-N 1 3 240.307 -0.760 10 0 BBAEHO NC(=O)NC(=O)CCN1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000261561046 135201621 /nfs/dbraw/zinc/20/16/21/135201621.db2.gz UYSLWXBMPSGRSZ-YIZRAAEISA-N 1 3 240.307 -0.760 10 0 BBAEHO [NH3+][C@@H]1CC[C@H]2CN(CCn3cncn3)C[C@H]12 ZINC000261568444 135209959 /nfs/dbraw/zinc/20/99/59/135209959.db2.gz FPSXDAZTSLTZKK-GARJFASQSA-N 1 3 221.308 -0.053 10 0 BBAEHO [NH3+][C@@H]1CC[C@@H]2CN(CCn3cncn3)C[C@@H]12 ZINC000261568445 135210141 /nfs/dbraw/zinc/21/01/41/135210141.db2.gz FPSXDAZTSLTZKK-GMTAPVOTSA-N 1 3 221.308 -0.053 10 0 BBAEHO [NH3+][C@@H]1CC[C@H]2CN(CCn3cncn3)C[C@@H]12 ZINC000261568446 135210739 /nfs/dbraw/zinc/21/07/39/135210739.db2.gz FPSXDAZTSLTZKK-HBNTYKKESA-N 1 3 221.308 -0.053 10 0 BBAEHO [NH3+][C@@H]1CC[C@@H]2CN(CCn3cncn3)C[C@H]12 ZINC000261568447 135210809 /nfs/dbraw/zinc/21/08/09/135210809.db2.gz FPSXDAZTSLTZKK-OUAUKWLOSA-N 1 3 221.308 -0.053 10 0 BBAEHO C[C@@H]1[C@H]([NH3+])CCN1C(=O)C(N)C(F)(F)F ZINC000261589092 135230094 /nfs/dbraw/zinc/23/00/94/135230094.db2.gz SYKVPPUTLWISQT-HSUXUTPPSA-N 1 3 225.214 -0.176 10 0 BBAEHO C[C@@H]1[C@@H]([NH3+])CCN1C(=O)C(N)C(F)(F)F ZINC000261589093 135230433 /nfs/dbraw/zinc/23/04/33/135230433.db2.gz SYKVPPUTLWISQT-NGJCXOISSA-N 1 3 225.214 -0.176 10 0 BBAEHO C[C@@H]1[C@H]([NH3+])CCN1C(=O)C(N)C(F)(F)F ZINC000261589094 135230190 /nfs/dbraw/zinc/23/01/90/135230190.db2.gz SYKVPPUTLWISQT-PBXRRBTRSA-N 1 3 225.214 -0.176 10 0 BBAEHO C[C@@H]1[C@@H]([NH3+])CCN1C(=O)C(N)C(F)(F)F ZINC000261589095 135230206 /nfs/dbraw/zinc/23/02/06/135230206.db2.gz SYKVPPUTLWISQT-SRQIZXRXSA-N 1 3 225.214 -0.176 10 0 BBAEHO CN(C)C[C@H]1CN(CC(C)(C)[NH3+])CCO1 ZINC000261593980 135234428 /nfs/dbraw/zinc/23/44/28/135234428.db2.gz XEYBENNWDSCKPT-JTQLQIEISA-N 1 3 215.341 -0.014 10 0 BBAEHO CN(C)C[C@@H]1CN(CC(C)(C)[NH3+])CCO1 ZINC000261593981 135234630 /nfs/dbraw/zinc/23/46/30/135234630.db2.gz XEYBENNWDSCKPT-SNVBAGLBSA-N 1 3 215.341 -0.014 10 0 BBAEHO CCC[NH2+]CCNC(=O)C1(N)CCOCC1 ZINC000261656312 135243615 /nfs/dbraw/zinc/24/36/15/135243615.db2.gz NHNJEFFEGCWTHC-UHFFFAOYSA-N 1 3 229.324 -0.390 10 0 BBAEHO C[C@@H]([NH3+])CC(=O)N1CCO[C@H](CN(C)C)C1 ZINC000261734096 135248925 /nfs/dbraw/zinc/24/89/25/135248925.db2.gz GBDQBGCYHRGAKI-NXEZZACHSA-N 1 3 229.324 -0.487 10 0 BBAEHO C[C@H]([NH3+])CC(=O)N1CCO[C@@H](CN(C)C)C1 ZINC000261734100 135249315 /nfs/dbraw/zinc/24/93/15/135249315.db2.gz GBDQBGCYHRGAKI-UWVGGRQHSA-N 1 3 229.324 -0.487 10 0 BBAEHO C[C@H]([NH3+])CC(=O)N1CCO[C@H](CN(C)C)C1 ZINC000261734103 135249068 /nfs/dbraw/zinc/24/90/68/135249068.db2.gz GBDQBGCYHRGAKI-VHSXEESVSA-N 1 3 229.324 -0.487 10 0 BBAEHO C[C@@H]([NH3+])CC(=O)N1CCO[C@@H](CN(C)C)C1 ZINC000261734104 135248982 /nfs/dbraw/zinc/24/89/82/135248982.db2.gz GBDQBGCYHRGAKI-ZJUUUORDSA-N 1 3 229.324 -0.487 10 0 BBAEHO C[C@@H](CNC(=O)[C@H](N)C1CCOCC1)[NH+](C)C ZINC000261735234 135248965 /nfs/dbraw/zinc/24/89/65/135248965.db2.gz KCXOCOJHNSMOCC-GXSJLCMTSA-N 1 3 243.351 -0.193 10 0 BBAEHO C[C@H](CNC(=O)[C@@H](N)C1CCOCC1)[NH+](C)C ZINC000261735239 135249344 /nfs/dbraw/zinc/24/93/44/135249344.db2.gz KCXOCOJHNSMOCC-KOLCDFICSA-N 1 3 243.351 -0.193 10 0 BBAEHO C[C@H](CNC(=O)[C@H](N)C1CCOCC1)[NH+](C)C ZINC000261735242 135248949 /nfs/dbraw/zinc/24/89/49/135248949.db2.gz KCXOCOJHNSMOCC-MWLCHTKSSA-N 1 3 243.351 -0.193 10 0 BBAEHO C[C@@H](CNC(=O)[C@@H](N)C1CCOCC1)[NH+](C)C ZINC000261735247 135249350 /nfs/dbraw/zinc/24/93/50/135249350.db2.gz KCXOCOJHNSMOCC-ONGXEEELSA-N 1 3 243.351 -0.193 10 0 BBAEHO CN(CC(C)(C)C[NH3+])C(=O)C1(N)CCOCC1 ZINC000261743391 135248984 /nfs/dbraw/zinc/24/89/84/135248984.db2.gz DSJDMPQZUOKUTP-UHFFFAOYSA-N 1 3 243.351 -0.062 10 0 BBAEHO C[C@@H]1CCN(C(=O)COC2CNC2)[C@@H](C[NH3+])C1 ZINC000261771113 135251728 /nfs/dbraw/zinc/25/17/28/135251728.db2.gz KKXMDLFUGQDALZ-NXEZZACHSA-N 1 3 241.335 -0.439 10 0 BBAEHO C[C@H]1CCN(C(=O)COC2CNC2)[C@H](C[NH3+])C1 ZINC000261771117 135251803 /nfs/dbraw/zinc/25/18/03/135251803.db2.gz KKXMDLFUGQDALZ-UWVGGRQHSA-N 1 3 241.335 -0.439 10 0 BBAEHO C[C@H]1CCN(C(=O)COC2CNC2)[C@@H](C[NH3+])C1 ZINC000261771122 135251750 /nfs/dbraw/zinc/25/17/50/135251750.db2.gz KKXMDLFUGQDALZ-VHSXEESVSA-N 1 3 241.335 -0.439 10 0 BBAEHO C[C@@H]1CCN(C(=O)COC2CNC2)[C@H](C[NH3+])C1 ZINC000261771128 135251768 /nfs/dbraw/zinc/25/17/68/135251768.db2.gz KKXMDLFUGQDALZ-ZJUUUORDSA-N 1 3 241.335 -0.439 10 0 BBAEHO COCCNCC(=O)N1CC[C@@H](C)C[C@@H]1C[NH3+] ZINC000261791418 135253400 /nfs/dbraw/zinc/25/34/00/135253400.db2.gz LYVUKAIKZGQNSH-GHMZBOCLSA-N 1 3 243.351 -0.192 10 0 BBAEHO COCCNCC(=O)N1CC[C@H](C)C[C@H]1C[NH3+] ZINC000261791423 135253601 /nfs/dbraw/zinc/25/36/01/135253601.db2.gz LYVUKAIKZGQNSH-QWRGUYRKSA-N 1 3 243.351 -0.192 10 0 BBAEHO COCCNCC(=O)N1CC[C@H](C)C[C@@H]1C[NH3+] ZINC000261791424 135253415 /nfs/dbraw/zinc/25/34/15/135253415.db2.gz LYVUKAIKZGQNSH-WDEREUQCSA-N 1 3 243.351 -0.192 10 0 BBAEHO C[C@@H]1CN(C(=O)C2([NH3+])CCOCC2)C[C@H](C)N1 ZINC000261814985 135255151 /nfs/dbraw/zinc/25/51/51/135255151.db2.gz JXGQQGMFOYBHAK-AOOOYVTPSA-N 1 3 241.335 -0.297 10 0 BBAEHO C[C@@H]1CN(C(=O)C2([NH3+])CCOCC2)C[C@@H](C)N1 ZINC000261814987 135255509 /nfs/dbraw/zinc/25/55/09/135255509.db2.gz JXGQQGMFOYBHAK-NXEZZACHSA-N 1 3 241.335 -0.297 10 0 BBAEHO C[C@H]1CN(C(=O)C2([NH3+])CCOCC2)C[C@H](C)N1 ZINC000261814988 135255289 /nfs/dbraw/zinc/25/52/89/135255289.db2.gz JXGQQGMFOYBHAK-UWVGGRQHSA-N 1 3 241.335 -0.297 10 0 BBAEHO C[C@@H](O)CN1CCN(CC2CC[NH2+]CC2)CC1 ZINC000261819457 135255044 /nfs/dbraw/zinc/25/50/44/135255044.db2.gz IHIIAMZHJOWRLU-GFCCVEGCSA-N 1 3 241.379 -0.016 10 0 BBAEHO CC(C)[C@H](C(=O)NCC1C[NH2+]C1)N(C)C ZINC000261912396 135262667 /nfs/dbraw/zinc/26/26/67/135262667.db2.gz HCKBJVMUQNPAGE-SNVBAGLBSA-N 1 3 213.325 -0.092 10 0 BBAEHO C[C@H](O)C[NH+]1CCC(CN(C)C(=O)CN)CC1 ZINC000261984884 135269931 /nfs/dbraw/zinc/26/99/31/135269931.db2.gz JNJFQZCDLJEODM-JTQLQIEISA-N 1 3 243.351 -0.504 10 0 BBAEHO C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)CN)CC1 ZINC000261984886 135269825 /nfs/dbraw/zinc/26/98/25/135269825.db2.gz JNJFQZCDLJEODM-SNVBAGLBSA-N 1 3 243.351 -0.504 10 0 BBAEHO CC(C)[C@@H](C(=O)NC[C@@H]1C[NH2+]C[C@H]1O)N(C)C ZINC000262084474 135278080 /nfs/dbraw/zinc/27/80/80/135278080.db2.gz CQCWTPOXXTZUOX-AXFHLTTASA-N 1 3 243.351 -0.731 10 0 BBAEHO CC(C)[C@@H](C(=O)NC[C@@H]1C[NH2+]C[C@@H]1O)N(C)C ZINC000262084476 135277959 /nfs/dbraw/zinc/27/79/59/135277959.db2.gz CQCWTPOXXTZUOX-DCAQKATOSA-N 1 3 243.351 -0.731 10 0 BBAEHO CC(C)[C@H](C(=O)NC[C@@H]1C[NH2+]C[C@@H]1O)N(C)C ZINC000262084478 534899448 /nfs/dbraw/zinc/89/94/48/534899448.db2.gz CQCWTPOXXTZUOX-GARJFASQSA-N 1 3 243.351 -0.731 10 0 BBAEHO CC(C)[C@H](C(=O)NC[C@H]1C[NH2+]C[C@H]1O)N(C)C ZINC000262084479 534901778 /nfs/dbraw/zinc/90/17/78/534901778.db2.gz CQCWTPOXXTZUOX-GMTAPVOTSA-N 1 3 243.351 -0.731 10 0 BBAEHO CC(C)[C@H](C(=O)NC[C@@H]1C[NH2+]C[C@H]1O)N(C)C ZINC000262084481 534900341 /nfs/dbraw/zinc/90/03/41/534900341.db2.gz CQCWTPOXXTZUOX-HBNTYKKESA-N 1 3 243.351 -0.731 10 0 BBAEHO CC(C)[C@@H](C(=O)NC[C@H]1C[NH2+]C[C@H]1O)N(C)C ZINC000262084483 135278104 /nfs/dbraw/zinc/27/81/04/135278104.db2.gz CQCWTPOXXTZUOX-MXWKQRLJSA-N 1 3 243.351 -0.731 10 0 BBAEHO CC(C)[C@H](C(=O)NC[C@H]1C[NH2+]C[C@@H]1O)N(C)C ZINC000262084485 534902030 /nfs/dbraw/zinc/90/20/30/534902030.db2.gz CQCWTPOXXTZUOX-OUAUKWLOSA-N 1 3 243.351 -0.731 10 0 BBAEHO CC(C)[C@@H](C(=O)NC[C@H]1C[NH2+]C[C@@H]1O)N(C)C ZINC000262084487 135277689 /nfs/dbraw/zinc/27/76/89/135277689.db2.gz CQCWTPOXXTZUOX-VWYCJHECSA-N 1 3 243.351 -0.731 10 0 BBAEHO CCN(CC)CC(=O)NC[C@H]1C[NH2+]C[C@H]1O ZINC000262103732 135278961 /nfs/dbraw/zinc/27/89/61/135278961.db2.gz DWYGHZMYJKMEGM-NXEZZACHSA-N 1 3 229.324 -0.975 10 0 BBAEHO CCN(CC)CC(=O)NC[C@@H]1C[NH2+]C[C@@H]1O ZINC000262103733 135278574 /nfs/dbraw/zinc/27/85/74/135278574.db2.gz DWYGHZMYJKMEGM-UWVGGRQHSA-N 1 3 229.324 -0.975 10 0 BBAEHO CCN(CC)CC(=O)NC[C@@H]1C[NH2+]C[C@H]1O ZINC000262103734 135278316 /nfs/dbraw/zinc/27/83/16/135278316.db2.gz DWYGHZMYJKMEGM-VHSXEESVSA-N 1 3 229.324 -0.975 10 0 BBAEHO CCN(CC)CC(=O)NC[C@H]1C[NH2+]C[C@@H]1O ZINC000262103735 135279116 /nfs/dbraw/zinc/27/91/16/135279116.db2.gz DWYGHZMYJKMEGM-ZJUUUORDSA-N 1 3 229.324 -0.975 10 0 BBAEHO C[C@@H]1C[C@@H](NC(=O)C2C[NH2+]C2)CN1C1CC1 ZINC000262191200 135284954 /nfs/dbraw/zinc/28/49/54/135284954.db2.gz GAMBZENWIFCQGC-PSASIEDQSA-N 1 3 223.320 -0.053 10 0 BBAEHO C[C@@H]1C[C@H](NC(=O)C2C[NH2+]C2)CN1C1CC1 ZINC000262191202 135284544 /nfs/dbraw/zinc/28/45/44/135284544.db2.gz GAMBZENWIFCQGC-SCZZXKLOSA-N 1 3 223.320 -0.053 10 0 BBAEHO C[C@H]1C[C@@H](NC(=O)C2C[NH2+]C2)CN1C1CC1 ZINC000262191206 135284797 /nfs/dbraw/zinc/28/47/97/135284797.db2.gz GAMBZENWIFCQGC-WCBMZHEXSA-N 1 3 223.320 -0.053 10 0 BBAEHO C[C@H]1C[C@H](NC(=O)C2C[NH2+]C2)CN1C1CC1 ZINC000262191208 135284397 /nfs/dbraw/zinc/28/43/97/135284397.db2.gz GAMBZENWIFCQGC-WPRPVWTQSA-N 1 3 223.320 -0.053 10 0 BBAEHO CC(C)N(C)CC(=O)NC[C@H]1C[NH2+]C[C@H]1O ZINC000262271053 135289012 /nfs/dbraw/zinc/28/90/12/135289012.db2.gz NAGXNXVLYAYWEY-NXEZZACHSA-N 1 3 229.324 -0.977 10 0 BBAEHO CC(C)N(C)CC(=O)NC[C@@H]1C[NH2+]C[C@@H]1O ZINC000262271054 534996640 /nfs/dbraw/zinc/99/66/40/534996640.db2.gz NAGXNXVLYAYWEY-UWVGGRQHSA-N 1 3 229.324 -0.977 10 0 BBAEHO CC(C)N(C)CC(=O)NC[C@@H]1C[NH2+]C[C@H]1O ZINC000262271055 534998330 /nfs/dbraw/zinc/99/83/30/534998330.db2.gz NAGXNXVLYAYWEY-VHSXEESVSA-N 1 3 229.324 -0.977 10 0 BBAEHO CC(C)N(C)CC(=O)NC[C@H]1C[NH2+]C[C@@H]1O ZINC000262271056 135289271 /nfs/dbraw/zinc/28/92/71/135289271.db2.gz NAGXNXVLYAYWEY-ZJUUUORDSA-N 1 3 229.324 -0.977 10 0 BBAEHO CCCN(C)CC(=O)NC[C@H]1C[NH2+]C[C@H]1O ZINC000262398987 135299006 /nfs/dbraw/zinc/29/90/06/135299006.db2.gz YKZBIROGCRVVSY-NXEZZACHSA-N 1 3 229.324 -0.975 10 0 BBAEHO CCCN(C)CC(=O)NC[C@@H]1C[NH2+]C[C@@H]1O ZINC000262398988 135298783 /nfs/dbraw/zinc/29/87/83/135298783.db2.gz YKZBIROGCRVVSY-UWVGGRQHSA-N 1 3 229.324 -0.975 10 0 BBAEHO CCCN(C)CC(=O)NC[C@@H]1C[NH2+]C[C@H]1O ZINC000262398989 135298562 /nfs/dbraw/zinc/29/85/62/135298562.db2.gz YKZBIROGCRVVSY-VHSXEESVSA-N 1 3 229.324 -0.975 10 0 BBAEHO CCCN(C)CC(=O)NC[C@H]1C[NH2+]C[C@@H]1O ZINC000262398990 135299900 /nfs/dbraw/zinc/29/99/00/135299900.db2.gz YKZBIROGCRVVSY-ZJUUUORDSA-N 1 3 229.324 -0.975 10 0 BBAEHO COCCCN(C)CCNC(=O)C1C[NH2+]C1 ZINC000263240521 536499919 /nfs/dbraw/zinc/49/99/19/536499919.db2.gz CEBAGXQRDDEVIA-UHFFFAOYSA-N 1 3 229.324 -0.710 10 0 BBAEHO COCCN1CCC[C@@H]1CNC(=O)C1C[NH2+]C1 ZINC000263267641 135343815 /nfs/dbraw/zinc/34/38/15/135343815.db2.gz HRUWWZVBGDHSRH-LLVKDONJSA-N 1 3 241.335 -0.567 10 0 BBAEHO COCCN1CCC[C@H]1CNC(=O)C1C[NH2+]C1 ZINC000263267643 135343697 /nfs/dbraw/zinc/34/36/97/135343697.db2.gz HRUWWZVBGDHSRH-NSHDSACASA-N 1 3 241.335 -0.567 10 0 BBAEHO [NH3+][C@@H]1CCOC[C@H]1CN1CC[C@H](O)C1 ZINC000299965044 358958439 /nfs/dbraw/zinc/95/84/39/358958439.db2.gz AAQQSDPQYWRSOM-KXUCPTDWSA-N 1 3 200.282 -0.583 10 0 BBAEHO [NH3+][C@@H]1CCOC[C@@H]1CN1CC[C@H](O)C1 ZINC000299965045 358958376 /nfs/dbraw/zinc/95/83/76/358958376.db2.gz AAQQSDPQYWRSOM-LPEHRKFASA-N 1 3 200.282 -0.583 10 0 BBAEHO [NH3+]C[C@@H]1CCC[C@@H]1N1C[C@@H](O)[C@H](O)C1 ZINC000300058498 352553797 /nfs/dbraw/zinc/55/37/97/352553797.db2.gz CIWJTLSNVULSDH-AXTSPUMRSA-N 1 3 200.282 -0.849 10 0 BBAEHO [NH3+]C[C@@H]1CCC[C@@H]1N1C[C@H](O)[C@@H](O)C1 ZINC000300058499 357180262 /nfs/dbraw/zinc/18/02/62/357180262.db2.gz CIWJTLSNVULSDH-XKNYDFJKSA-N 1 3 200.282 -0.849 10 0 BBAEHO [NH3+][C@@H]1CCC[C@H](N2C[C@H](O)[C@@H](O)C2)C1 ZINC000300058548 357180235 /nfs/dbraw/zinc/18/02/35/357180235.db2.gz DMCSBDPNAMEFNU-KATARQTJSA-N 1 3 200.282 -0.706 10 0 BBAEHO [NH3+][C@@H]1CCC[C@H](N2C[C@@H](O)[C@H](O)C2)C1 ZINC000300058549 357180112 /nfs/dbraw/zinc/18/01/12/357180112.db2.gz DMCSBDPNAMEFNU-UTINFBMNSA-N 1 3 200.282 -0.706 10 0 BBAEHO [NH3+][C@@H]1CC[C@H](NC[C@]2(O)CCOC2)C1 ZINC000300377253 352561331 /nfs/dbraw/zinc/56/13/31/352561331.db2.gz OTCQVOCMGINDNR-KXUCPTDWSA-N 1 3 200.282 -0.393 10 0 BBAEHO [NH3+][C@@H]1CC[C@@H](NC[C@]2(O)CCOC2)C1 ZINC000300377256 352561277 /nfs/dbraw/zinc/56/12/77/352561277.db2.gz OTCQVOCMGINDNR-OPRDCNLKSA-N 1 3 200.282 -0.393 10 0 BBAEHO CC1(C)C[N@@H+](C[C@H](O)CN)CCCO1 ZINC000306326575 359609324 /nfs/dbraw/zinc/60/93/24/359609324.db2.gz XAUHHKXJVHUWJH-SECBINFHSA-N 1 3 202.298 -0.193 10 0 BBAEHO CC1(C)C[N@H+](C[C@H](O)CN)CCCO1 ZINC000306326575 359609320 /nfs/dbraw/zinc/60/93/20/359609320.db2.gz XAUHHKXJVHUWJH-SECBINFHSA-N 1 3 202.298 -0.193 10 0 BBAEHO CC1(C)CN(C[C@H](O)C[NH3+])CCCO1 ZINC000306326575 359609318 /nfs/dbraw/zinc/60/93/18/359609318.db2.gz XAUHHKXJVHUWJH-SECBINFHSA-N 1 3 202.298 -0.193 10 0 BBAEHO CC1(C)C[N@@H+](C[C@@H](O)CN)CCCO1 ZINC000306452275 360034557 /nfs/dbraw/zinc/03/45/57/360034557.db2.gz XAUHHKXJVHUWJH-VIFPVBQESA-N 1 3 202.298 -0.193 10 0 BBAEHO CC1(C)C[N@H+](C[C@@H](O)CN)CCCO1 ZINC000306452275 360034552 /nfs/dbraw/zinc/03/45/52/360034552.db2.gz XAUHHKXJVHUWJH-VIFPVBQESA-N 1 3 202.298 -0.193 10 0 BBAEHO CC1(C)CN(C[C@@H](O)C[NH3+])CCCO1 ZINC000306452275 360034548 /nfs/dbraw/zinc/03/45/48/360034548.db2.gz XAUHHKXJVHUWJH-VIFPVBQESA-N 1 3 202.298 -0.193 10 0 BBAEHO O=C(NCC1C[NH2+]C1)[C@@]1(F)CCNC1 ZINC000306540243 360405392 /nfs/dbraw/zinc/40/53/92/360405392.db2.gz ONAUMTJCGCFRIO-SECBINFHSA-N 1 3 201.245 -0.976 10 0 BBAEHO O=C(NCC1C[NH2+]C1)[C@]1(F)CCNC1 ZINC000306540244 360405664 /nfs/dbraw/zinc/40/56/64/360405664.db2.gz ONAUMTJCGCFRIO-VIFPVBQESA-N 1 3 201.245 -0.976 10 0 BBAEHO CN(C)C1CN(C[C@@H]2CSCC[NH2+]2)C1 ZINC000306568442 360449483 /nfs/dbraw/zinc/44/94/83/360449483.db2.gz USGICBHPPQISPQ-SECBINFHSA-N 1 3 215.366 -0.063 10 0 BBAEHO CN(C)C1CN(C[C@H]2CSCC[NH2+]2)C1 ZINC000306568443 360449435 /nfs/dbraw/zinc/44/94/35/360449435.db2.gz USGICBHPPQISPQ-VIFPVBQESA-N 1 3 215.366 -0.063 10 0 BBAEHO O=C(N[C@H]1CC[NH2+]C1)[C@H]1C[C@H](F)CN1 ZINC000306588887 411509577 /nfs/dbraw/zinc/50/95/77/411509577.db2.gz NWTVMKBOMFNTAM-BIIVOSGPSA-N 1 3 201.245 -0.836 10 0 BBAEHO O=C(N[C@@H]1CC[NH2+]C1)[C@H]1C[C@H](F)CN1 ZINC000306588888 384642035 /nfs/dbraw/zinc/64/20/35/384642035.db2.gz NWTVMKBOMFNTAM-XLPZGREQSA-N 1 3 201.245 -0.836 10 0 BBAEHO [NH3+][C@H]1CCN(C(=O)[C@H]2C[C@H](F)CN2)C1 ZINC000306648907 323031940 /nfs/dbraw/zinc/03/19/40/323031940.db2.gz QIOZTYQCTNWFNM-BIIVOSGPSA-N 1 3 201.245 -0.754 10 0 BBAEHO [NH3+][C@@H]1CCN(C(=O)[C@H]2C[C@H](F)CN2)C1 ZINC000306648910 411456257 /nfs/dbraw/zinc/45/62/57/411456257.db2.gz QIOZTYQCTNWFNM-XLPZGREQSA-N 1 3 201.245 -0.754 10 0 BBAEHO [NH3+]CC1(O)CCN(C2CSC2)CC1 ZINC000307054524 351454392 /nfs/dbraw/zinc/45/43/92/351454392.db2.gz RGDWMCQMSCCOLW-UHFFFAOYSA-N 1 3 202.323 -0.113 10 0 BBAEHO CO[C@H]1COCC[C@H]1NC1CC([NH3+])C1 ZINC000307055676 351456540 /nfs/dbraw/zinc/45/65/40/351456540.db2.gz ZJFUCWFRBUBVNG-BMNUFHGDSA-N 1 3 200.282 -0.130 10 0 BBAEHO CO[C@@H]1COCC[C@@H]1NC1CC([NH3+])C1 ZINC000307055677 351456394 /nfs/dbraw/zinc/45/63/94/351456394.db2.gz ZJFUCWFRBUBVNG-HORUIINNSA-N 1 3 200.282 -0.130 10 0 BBAEHO CO[C@H]1COCC[C@@H]1NC1CC([NH3+])C1 ZINC000307055678 351456103 /nfs/dbraw/zinc/45/61/03/351456103.db2.gz ZJFUCWFRBUBVNG-QLEHZGMVSA-N 1 3 200.282 -0.130 10 0 BBAEHO CO[C@@H]1COCC[C@H]1NC1CC([NH3+])C1 ZINC000307055679 351456552 /nfs/dbraw/zinc/45/65/52/351456552.db2.gz ZJFUCWFRBUBVNG-YDYPAMBWSA-N 1 3 200.282 -0.130 10 0 BBAEHO C[C@@](O)(C[C@@H]1COCCN1)C1C[NH2+]C1 ZINC000307136554 351494076 /nfs/dbraw/zinc/49/40/76/351494076.db2.gz VDMNMWDLQWUSAF-NXEZZACHSA-N 1 3 200.282 -0.665 10 0 BBAEHO C[C@](O)(C[C@H]1COCCN1)C1C[NH2+]C1 ZINC000307136555 351494409 /nfs/dbraw/zinc/49/44/09/351494409.db2.gz VDMNMWDLQWUSAF-UWVGGRQHSA-N 1 3 200.282 -0.665 10 0 BBAEHO C[C@@](O)(C[C@H]1COCCN1)C1C[NH2+]C1 ZINC000307136556 351494296 /nfs/dbraw/zinc/49/42/96/351494296.db2.gz VDMNMWDLQWUSAF-VHSXEESVSA-N 1 3 200.282 -0.665 10 0 BBAEHO C[C@](O)(C[C@@H]1COCCN1)C1C[NH2+]C1 ZINC000307136557 351494104 /nfs/dbraw/zinc/49/41/04/351494104.db2.gz VDMNMWDLQWUSAF-ZJUUUORDSA-N 1 3 200.282 -0.665 10 0 BBAEHO CSCC[C@@H](N)C(=O)NCC[C@@H](C)[NH3+] ZINC000308821514 348711224 /nfs/dbraw/zinc/71/12/24/348711224.db2.gz CDRAJXLAORSERF-HTQZYQBOSA-N 1 3 219.354 -0.080 10 0 BBAEHO CSCC[C@H](N)C(=O)NCC[C@@H](C)[NH3+] ZINC000308821516 323179248 /nfs/dbraw/zinc/17/92/48/323179248.db2.gz CDRAJXLAORSERF-SFYZADRCSA-N 1 3 219.354 -0.080 10 0 BBAEHO COC[C@H](C)CNC[C@@H]1C[NH2+]C[C@@H]1O ZINC000308873813 537909585 /nfs/dbraw/zinc/90/95/85/537909585.db2.gz LYSNBMAEFVXPKP-BBBLOLIVSA-N 1 3 202.298 -0.561 10 0 BBAEHO COC[C@H](C)CNC[C@H]1C[NH2+]C[C@H]1O ZINC000308873814 537909003 /nfs/dbraw/zinc/90/90/03/537909003.db2.gz LYSNBMAEFVXPKP-KXUCPTDWSA-N 1 3 202.298 -0.561 10 0 BBAEHO COC[C@H](C)CNC[C@@H]1C[NH2+]C[C@H]1O ZINC000308873816 537908488 /nfs/dbraw/zinc/90/84/88/537908488.db2.gz LYSNBMAEFVXPKP-OPRDCNLKSA-N 1 3 202.298 -0.561 10 0 BBAEHO COC[C@H](C)CNC[C@H]1C[NH2+]C[C@@H]1O ZINC000308873817 537908213 /nfs/dbraw/zinc/90/82/13/537908213.db2.gz LYSNBMAEFVXPKP-UTLUCORTSA-N 1 3 202.298 -0.561 10 0 BBAEHO C[C@@H]([NH3+])CCNC(=O)C(N)C(F)(F)F ZINC000309092657 323316433 /nfs/dbraw/zinc/31/64/33/323316433.db2.gz BSSJHWYVZWWECI-RFZPGFLSSA-N 1 3 213.203 -0.271 10 0 BBAEHO C[C@@H]([NH3+])CCNC(=O)C(N)C(F)(F)F ZINC000309092658 323316185 /nfs/dbraw/zinc/31/61/85/323316185.db2.gz BSSJHWYVZWWECI-UHNVWZDZSA-N 1 3 213.203 -0.271 10 0 BBAEHO COCCNCC(=O)NCC[C@@H](C)[NH3+] ZINC000309112733 259342163 /nfs/dbraw/zinc/34/21/63/259342163.db2.gz KGIVJXMWMHMXQC-MRVPVSSYSA-N 1 3 203.286 -0.924 10 0 BBAEHO C[NH2+][C@@H](C)CNC(=O)C(N)C(F)(F)F ZINC000309125273 410867146 /nfs/dbraw/zinc/86/71/46/410867146.db2.gz PHSJMJVEYUFIGE-CRCLSJGQSA-N 1 3 213.203 -0.400 10 0 BBAEHO C[NH2+][C@H](C)CNC(=O)C(N)C(F)(F)F ZINC000309125274 541342777 /nfs/dbraw/zinc/34/27/77/541342777.db2.gz PHSJMJVEYUFIGE-RFZPGFLSSA-N 1 3 213.203 -0.400 10 0 BBAEHO C[NH2+][C@H](C)CNC(=O)C(N)C(F)(F)F ZINC000309125275 541342797 /nfs/dbraw/zinc/34/27/97/541342797.db2.gz PHSJMJVEYUFIGE-UHNVWZDZSA-N 1 3 213.203 -0.400 10 0 BBAEHO C[NH2+][C@@H](C)CNC(=O)C(N)C(F)(F)F ZINC000309125276 541342514 /nfs/dbraw/zinc/34/25/14/541342514.db2.gz PHSJMJVEYUFIGE-WHFBIAKZSA-N 1 3 213.203 -0.400 10 0 BBAEHO C[NH2+][C@H](C)CNC(=O)[C@H](N)CCSC ZINC000309153521 350108987 /nfs/dbraw/zinc/10/89/87/350108987.db2.gz WVLHJEXQDKIFGF-HTQZYQBOSA-N 1 3 219.354 -0.209 10 0 BBAEHO C[NH2+][C@@H](C)CNC(=O)[C@H](N)CCSC ZINC000309153525 346971638 /nfs/dbraw/zinc/97/16/38/346971638.db2.gz WVLHJEXQDKIFGF-JGVFFNPUSA-N 1 3 219.354 -0.209 10 0 BBAEHO C[NH2+][C@H](C)CNC(=O)[C@@H](N)CCSC ZINC000309153529 350108851 /nfs/dbraw/zinc/10/88/51/350108851.db2.gz WVLHJEXQDKIFGF-SFYZADRCSA-N 1 3 219.354 -0.209 10 0 BBAEHO C[NH2+][C@@H](C)CNC(=O)[C@@H](N)CCSC ZINC000309153533 350109006 /nfs/dbraw/zinc/10/90/06/350109006.db2.gz WVLHJEXQDKIFGF-YUMQZZPRSA-N 1 3 219.354 -0.209 10 0 BBAEHO CC(C)([NH3+])CN1CC[C@H]2OCCN[C@@H]2C1 ZINC000309267864 323337495 /nfs/dbraw/zinc/33/74/95/323337495.db2.gz KASHTQNPRMJOQB-NXEZZACHSA-N 1 3 213.325 -0.214 10 0 BBAEHO CC(C)([NH3+])CN1CC[C@@H]2OCCN[C@H]2C1 ZINC000309267865 323337662 /nfs/dbraw/zinc/33/76/62/323337662.db2.gz KASHTQNPRMJOQB-UWVGGRQHSA-N 1 3 213.325 -0.214 10 0 BBAEHO CC(C)([NH3+])CN1CC[C@H]2OCCN[C@H]2C1 ZINC000309267866 323337282 /nfs/dbraw/zinc/33/72/82/323337282.db2.gz KASHTQNPRMJOQB-VHSXEESVSA-N 1 3 213.325 -0.214 10 0 BBAEHO CC(C)([NH3+])CN1CC[C@@H]2OCCN[C@@H]2C1 ZINC000309267867 323337131 /nfs/dbraw/zinc/33/71/31/323337131.db2.gz KASHTQNPRMJOQB-ZJUUUORDSA-N 1 3 213.325 -0.214 10 0 BBAEHO CC(C)(N)C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000309290364 350256077 /nfs/dbraw/zinc/25/60/77/350256077.db2.gz QANGYVRBMOOCDA-CIUDSAMLSA-N 1 3 211.309 -0.081 10 0 BBAEHO CC(C)(N)C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000309290365 350255629 /nfs/dbraw/zinc/25/56/29/350255629.db2.gz QANGYVRBMOOCDA-DJLDLDEBSA-N 1 3 211.309 -0.081 10 0 BBAEHO CC(C)(N)C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000309290366 350255765 /nfs/dbraw/zinc/25/57/65/350255765.db2.gz QANGYVRBMOOCDA-XHNCKOQMSA-N 1 3 211.309 -0.081 10 0 BBAEHO CC(C)(N)C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000309290367 350256040 /nfs/dbraw/zinc/25/60/40/350256040.db2.gz QANGYVRBMOOCDA-YIZRAAEISA-N 1 3 211.309 -0.081 10 0 BBAEHO C[C@@H]([NH3+])CCNC(=O)C[C@H]1CNCCO1 ZINC000309378099 350360403 /nfs/dbraw/zinc/36/04/03/350360403.db2.gz CXYVBXRQQNORKW-BDAKNGLRSA-N 1 3 215.297 -0.782 10 0 BBAEHO C[C@@H]([NH3+])CCNC(=O)C[C@@H]1CNCCO1 ZINC000309378106 350360295 /nfs/dbraw/zinc/36/02/95/350360295.db2.gz CXYVBXRQQNORKW-RKDXNWHRSA-N 1 3 215.297 -0.782 10 0 BBAEHO C[C@@H]([NH3+])CCNC(=O)CCOC1CNC1 ZINC000309405632 259343459 /nfs/dbraw/zinc/34/34/59/259343459.db2.gz HXKGSCBTWKEKAH-MRVPVSSYSA-N 1 3 215.297 -0.782 10 0 BBAEHO C[C@@H]1[C@H](C)NCCN1C(=O)[C@H]1CC[NH2+]C1 ZINC000309488212 347074354 /nfs/dbraw/zinc/07/43/54/347074354.db2.gz HJNJVLQNMCYWDP-AEJSXWLSSA-N 1 3 211.309 -0.195 10 0 BBAEHO C[C@H]1NCCN(C(=O)[C@H]2CC[NH2+]C2)[C@@H]1C ZINC000309488213 347074253 /nfs/dbraw/zinc/07/42/53/347074253.db2.gz HJNJVLQNMCYWDP-BBBLOLIVSA-N 1 3 211.309 -0.195 10 0 BBAEHO C[C@@H]1NCCN(C(=O)[C@H]2CC[NH2+]C2)[C@H]1C ZINC000309488215 347074495 /nfs/dbraw/zinc/07/44/95/347074495.db2.gz HJNJVLQNMCYWDP-GUBZILKMSA-N 1 3 211.309 -0.195 10 0 BBAEHO C[C@H]1NCCN(C(=O)[C@H]2CC[NH2+]C2)[C@H]1C ZINC000309488216 347074273 /nfs/dbraw/zinc/07/42/73/347074273.db2.gz HJNJVLQNMCYWDP-UTLUCORTSA-N 1 3 211.309 -0.195 10 0 BBAEHO C[C@]1(C(=O)NCC2C[NH2+]C2)CCCCN1 ZINC000309488927 385618669 /nfs/dbraw/zinc/61/86/69/385618669.db2.gz HRHPCFUWRLVDKI-LLVKDONJSA-N 1 3 211.309 -0.146 10 0 BBAEHO C[C@@]1(C(=O)NCC2C[NH2+]C2)CCCCN1 ZINC000309488930 385619601 /nfs/dbraw/zinc/61/96/01/385619601.db2.gz HRHPCFUWRLVDKI-NSHDSACASA-N 1 3 211.309 -0.146 10 0 BBAEHO CSCC[C@H](N)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000309506590 350679187 /nfs/dbraw/zinc/67/91/87/350679187.db2.gz WABNFHSASBCATC-DTWKUNHWSA-N 1 3 231.365 -0.080 10 0 BBAEHO CSCC[C@H](N)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000309506591 350679061 /nfs/dbraw/zinc/67/90/61/350679061.db2.gz WABNFHSASBCATC-IUCAKERBSA-N 1 3 231.365 -0.080 10 0 BBAEHO CC1(C)CN[C@H]1C(=O)NC[C@@H]1CC[NH2+]C1 ZINC000309510507 411155493 /nfs/dbraw/zinc/15/54/93/411155493.db2.gz PDCNCCADEMVNAV-BDAKNGLRSA-N 1 3 211.309 -0.290 10 0 BBAEHO CC1(C)CN[C@@H]1C(=O)NC[C@H]1CC[NH2+]C1 ZINC000309510508 411155449 /nfs/dbraw/zinc/15/54/49/411155449.db2.gz PDCNCCADEMVNAV-DTWKUNHWSA-N 1 3 211.309 -0.290 10 0 BBAEHO CC1(C)CN[C@H]1C(=O)NC[C@H]1CC[NH2+]C1 ZINC000309510509 411154668 /nfs/dbraw/zinc/15/46/68/411154668.db2.gz PDCNCCADEMVNAV-IUCAKERBSA-N 1 3 211.309 -0.290 10 0 BBAEHO CC1(C)CN[C@@H]1C(=O)NC[C@@H]1CC[NH2+]C1 ZINC000309510510 411154748 /nfs/dbraw/zinc/15/47/48/411154748.db2.gz PDCNCCADEMVNAV-RKDXNWHRSA-N 1 3 211.309 -0.290 10 0 BBAEHO C[C@@H]([NH3+])CCNC(=O)COC1(C)CNC1 ZINC000309512598 411158766 /nfs/dbraw/zinc/15/87/66/411158766.db2.gz XVTNCFPGKKFMIY-MRVPVSSYSA-N 1 3 215.297 -0.782 10 0 BBAEHO C[C@@H]1CN[C@@H](C)CN1C(=O)[C@H]1CC[NH2+]C1 ZINC000309516104 350694882 /nfs/dbraw/zinc/69/48/82/350694882.db2.gz ROGVGOUVUCAYCT-AEJSXWLSSA-N 1 3 211.309 -0.195 10 0 BBAEHO C[C@@H]1CN(C(=O)[C@H]2CC[NH2+]C2)[C@H](C)CN1 ZINC000309516105 347091526 /nfs/dbraw/zinc/09/15/26/347091526.db2.gz ROGVGOUVUCAYCT-BBBLOLIVSA-N 1 3 211.309 -0.195 10 0 BBAEHO C[C@H]1CN(C(=O)[C@H]2CC[NH2+]C2)[C@@H](C)CN1 ZINC000309516106 350694952 /nfs/dbraw/zinc/69/49/52/350694952.db2.gz ROGVGOUVUCAYCT-GUBZILKMSA-N 1 3 211.309 -0.195 10 0 BBAEHO C[C@@H]1CN(C(=O)[C@H]2CC[NH2+]C2)[C@@H](C)CN1 ZINC000309516107 350694820 /nfs/dbraw/zinc/69/48/20/350694820.db2.gz ROGVGOUVUCAYCT-UTLUCORTSA-N 1 3 211.309 -0.195 10 0 BBAEHO O=C(NC[C@@H]1CC[NH2+]C1)[C@H]1CCCCN1 ZINC000309516777 187308947 /nfs/dbraw/zinc/30/89/47/187308947.db2.gz RUOZRQPEHBOVJT-NXEZZACHSA-N 1 3 211.309 -0.146 10 0 BBAEHO O=C(NC[C@H]1CC[NH2+]C1)[C@@H]1CCCCN1 ZINC000309516779 182242510 /nfs/dbraw/zinc/24/25/10/182242510.db2.gz RUOZRQPEHBOVJT-UWVGGRQHSA-N 1 3 211.309 -0.146 10 0 BBAEHO O=C(NC[C@H]1CC[NH2+]C1)[C@H]1CCCCN1 ZINC000309516780 182243055 /nfs/dbraw/zinc/24/30/55/182243055.db2.gz RUOZRQPEHBOVJT-VHSXEESVSA-N 1 3 211.309 -0.146 10 0 BBAEHO O=C(NC[C@@H]1CC[NH2+]C1)[C@@H]1CCCCN1 ZINC000309516781 385649526 /nfs/dbraw/zinc/64/95/26/385649526.db2.gz RUOZRQPEHBOVJT-ZJUUUORDSA-N 1 3 211.309 -0.146 10 0 BBAEHO [NH3+][C@@H]1CC[C@H](CN2CCO[C@H](CO)C2)C1 ZINC000309527127 633189299 /nfs/dbraw/zinc/18/92/99/633189299.db2.gz CBQQDXOQJZGCMN-AXFHLTTASA-N 1 3 214.309 -0.193 10 0 BBAEHO [NH3+][C@@H]1CC[C@H](CN2CCO[C@@H](CO)C2)C1 ZINC000309527132 632469506 /nfs/dbraw/zinc/46/95/06/632469506.db2.gz CBQQDXOQJZGCMN-HBNTYKKESA-N 1 3 214.309 -0.193 10 0 BBAEHO CC1(C)CNCCN1C(=O)[C@@H]1CC[NH2+]C1 ZINC000309528875 411162857 /nfs/dbraw/zinc/16/28/57/411162857.db2.gz VNZCCJGRAVPJTO-SECBINFHSA-N 1 3 211.309 -0.194 10 0 BBAEHO [NH3+]C[C@H]1CCC[C@H]1NC(=O)CNC1CC1 ZINC000309565162 411175362 /nfs/dbraw/zinc/17/53/62/411175362.db2.gz QHXFVMFPPMIILV-PSASIEDQSA-N 1 3 211.309 -0.018 10 0 BBAEHO [NH3+]C[C@H]1CCC[C@@H]1NC(=O)CNC1CC1 ZINC000309565163 411175115 /nfs/dbraw/zinc/17/51/15/411175115.db2.gz QHXFVMFPPMIILV-SCZZXKLOSA-N 1 3 211.309 -0.018 10 0 BBAEHO [NH3+]C[C@@H]1CCC[C@H]1NC(=O)CNC1CC1 ZINC000309565165 411175276 /nfs/dbraw/zinc/17/52/76/411175276.db2.gz QHXFVMFPPMIILV-WCBMZHEXSA-N 1 3 211.309 -0.018 10 0 BBAEHO [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)CNC1CC1 ZINC000309565168 411175493 /nfs/dbraw/zinc/17/54/93/411175493.db2.gz QHXFVMFPPMIILV-WPRPVWTQSA-N 1 3 211.309 -0.018 10 0 BBAEHO NC(C(=O)N1CCC[C@H]([NH3+])C1)C(F)(F)F ZINC000309588519 385715665 /nfs/dbraw/zinc/71/56/65/385715665.db2.gz XORWUJYXSJFMLQ-NTSWFWBYSA-N 1 3 225.214 -0.174 10 0 BBAEHO NC(C(=O)N1CCC[C@H]([NH3+])C1)C(F)(F)F ZINC000309588522 385715655 /nfs/dbraw/zinc/71/56/55/385715655.db2.gz XORWUJYXSJFMLQ-WDSKDSINSA-N 1 3 225.214 -0.174 10 0 BBAEHO C[NH2+][C@H](C)CNC(=O)C[C@H]1CNCCO1 ZINC000309605743 490359790 /nfs/dbraw/zinc/35/97/90/490359790.db2.gz XVIWSICZJNDXOU-BDAKNGLRSA-N 1 3 215.297 -0.911 10 0 BBAEHO C[NH2+][C@@H](C)CNC(=O)C[C@@H]1CNCCO1 ZINC000309605745 490360026 /nfs/dbraw/zinc/36/00/26/490360026.db2.gz XVIWSICZJNDXOU-DTWKUNHWSA-N 1 3 215.297 -0.911 10 0 BBAEHO C[NH2+][C@@H](C)CNC(=O)C[C@H]1CNCCO1 ZINC000309605746 490359989 /nfs/dbraw/zinc/35/99/89/490359989.db2.gz XVIWSICZJNDXOU-IUCAKERBSA-N 1 3 215.297 -0.911 10 0 BBAEHO C[NH2+][C@H](C)CNC(=O)C[C@@H]1CNCCO1 ZINC000309605748 490359907 /nfs/dbraw/zinc/35/99/07/490359907.db2.gz XVIWSICZJNDXOU-RKDXNWHRSA-N 1 3 215.297 -0.911 10 0 BBAEHO C[NH2+][C@H](C)CNC(=O)C[C@H]1CSCCN1 ZINC000309608526 490359817 /nfs/dbraw/zinc/35/98/17/490359817.db2.gz YPUTWOXJBNKDRK-BDAKNGLRSA-N 1 3 231.365 -0.194 10 0 BBAEHO C[NH2+][C@@H](C)CNC(=O)C[C@@H]1CSCCN1 ZINC000309608532 490359940 /nfs/dbraw/zinc/35/99/40/490359940.db2.gz YPUTWOXJBNKDRK-DTWKUNHWSA-N 1 3 231.365 -0.194 10 0 BBAEHO C[NH2+][C@@H](C)CNC(=O)C[C@H]1CSCCN1 ZINC000309608534 410969291 /nfs/dbraw/zinc/96/92/91/410969291.db2.gz YPUTWOXJBNKDRK-IUCAKERBSA-N 1 3 231.365 -0.194 10 0 BBAEHO C[NH2+][C@H](C)CNC(=O)C[C@@H]1CSCCN1 ZINC000309608537 490359881 /nfs/dbraw/zinc/35/98/81/490359881.db2.gz YPUTWOXJBNKDRK-RKDXNWHRSA-N 1 3 231.365 -0.194 10 0 BBAEHO CC1(C)CNCCN1C(=O)[C@H]1CC[NH2+]C1 ZINC000310037897 411195389 /nfs/dbraw/zinc/19/53/89/411195389.db2.gz VNZCCJGRAVPJTO-VIFPVBQESA-N 1 3 211.309 -0.194 10 0 BBAEHO CC[N@@H+](C)C[C@@H](O)Cn1cc(C(C)(C)N)nn1 ZINC000310242494 386168635 /nfs/dbraw/zinc/16/86/35/386168635.db2.gz IZRJLDPSCPKWPQ-SECBINFHSA-N 1 3 241.339 -0.216 10 0 BBAEHO CC[N@H+](C)C[C@@H](O)Cn1cc(C(C)(C)N)nn1 ZINC000310242494 386168631 /nfs/dbraw/zinc/16/86/31/386168631.db2.gz IZRJLDPSCPKWPQ-SECBINFHSA-N 1 3 241.339 -0.216 10 0 BBAEHO CC[N@@H+](C)C[C@H](O)Cn1cc(C(C)(C)N)nn1 ZINC000310242495 398130641 /nfs/dbraw/zinc/13/06/41/398130641.db2.gz IZRJLDPSCPKWPQ-VIFPVBQESA-N 1 3 241.339 -0.216 10 0 BBAEHO CC[N@H+](C)C[C@H](O)Cn1cc(C(C)(C)N)nn1 ZINC000310242495 398130636 /nfs/dbraw/zinc/13/06/36/398130636.db2.gz IZRJLDPSCPKWPQ-VIFPVBQESA-N 1 3 241.339 -0.216 10 0 BBAEHO C[NH+](C)C[C@H](O)CNC[C@@H](O)C(C)(C)C ZINC000324314037 388381369 /nfs/dbraw/zinc/38/13/69/388381369.db2.gz FRSLOLSBKXBZDF-NXEZZACHSA-N 1 3 218.341 -0.095 10 0 BBAEHO C[NH+](C)C[C@@H](O)CNC[C@H](O)C(C)(C)C ZINC000324314038 388381287 /nfs/dbraw/zinc/38/12/87/388381287.db2.gz FRSLOLSBKXBZDF-UWVGGRQHSA-N 1 3 218.341 -0.095 10 0 BBAEHO C[NH+](C)C[C@@H](O)CNC[C@@H](O)C(C)(C)C ZINC000324314039 388382011 /nfs/dbraw/zinc/38/20/11/388382011.db2.gz FRSLOLSBKXBZDF-VHSXEESVSA-N 1 3 218.341 -0.095 10 0 BBAEHO C[NH+](C)C[C@H](O)CNC[C@H](O)C(C)(C)C ZINC000324314040 388382023 /nfs/dbraw/zinc/38/20/23/388382023.db2.gz FRSLOLSBKXBZDF-ZJUUUORDSA-N 1 3 218.341 -0.095 10 0 BBAEHO CC1(C(=O)N2CCN3CCC[C@H]3C2)C[NH2+]C1 ZINC000335046943 384779718 /nfs/dbraw/zinc/77/97/18/384779718.db2.gz QPZPDKJVIJEWHT-JTQLQIEISA-N 1 3 223.320 -0.098 10 0 BBAEHO CC1(C(=O)N2CCN3CCC[C@@H]3C2)C[NH2+]C1 ZINC000335046945 384778695 /nfs/dbraw/zinc/77/86/95/384778695.db2.gz QPZPDKJVIJEWHT-SNVBAGLBSA-N 1 3 223.320 -0.098 10 0 BBAEHO CN(C)[C@@H]1CCN(C(=O)C2(C)C[NH2+]C2)C1 ZINC000335051778 384782259 /nfs/dbraw/zinc/78/22/59/384782259.db2.gz QHSIMSNOKKDBDV-SECBINFHSA-N 1 3 211.309 -0.242 10 0 BBAEHO CN(C)[C@H]1CCN(C(=O)C2(C)C[NH2+]C2)C1 ZINC000335051781 384784388 /nfs/dbraw/zinc/78/43/88/384784388.db2.gz QHSIMSNOKKDBDV-VIFPVBQESA-N 1 3 211.309 -0.242 10 0 BBAEHO O=C([C@H]1CC[NH2+]C1)N1CCN2CCC1CC2 ZINC000335465973 386554058 /nfs/dbraw/zinc/55/40/58/386554058.db2.gz YJPYJXKJFBIGGT-JTQLQIEISA-N 1 3 223.320 -0.098 10 0 BBAEHO O=C([C@@H]1CC[NH2+]C1)N1CCN2CCC1CC2 ZINC000335465974 386554086 /nfs/dbraw/zinc/55/40/86/386554086.db2.gz YJPYJXKJFBIGGT-SNVBAGLBSA-N 1 3 223.320 -0.098 10 0 BBAEHO [NH3+]C1(CNC(=O)[C@H]2C[C@H](F)CN2)CCC1 ZINC000335818429 181331026 /nfs/dbraw/zinc/33/10/26/181331026.db2.gz LSGNAZZUCJEALL-JGVFFNPUSA-N 1 3 215.272 -0.316 10 0 BBAEHO O=C([C@H]1CC[NH2+]1)N1CCN2CCC[C@@H]2C1 ZINC000336174302 388456270 /nfs/dbraw/zinc/45/62/70/388456270.db2.gz AWOFYYZZIASWFZ-NXEZZACHSA-N 1 3 209.293 -0.345 10 0 BBAEHO O=C([C@H]1CC[NH2+]1)N1CCN2CCC[C@H]2C1 ZINC000336174303 388456805 /nfs/dbraw/zinc/45/68/05/388456805.db2.gz AWOFYYZZIASWFZ-VHSXEESVSA-N 1 3 209.293 -0.345 10 0 BBAEHO NC[C@H]1CCC[C@H]1[NH2+]CCn1cncn1 ZINC000362978168 388562893 /nfs/dbraw/zinc/56/28/93/388562893.db2.gz XWTFCVAAMPZQFW-NXEZZACHSA-N 1 3 209.297 -0.005 10 0 BBAEHO [NH3+]C[C@H]1CCC[C@H]1NCCn1cncn1 ZINC000362978168 388562891 /nfs/dbraw/zinc/56/28/91/388562891.db2.gz XWTFCVAAMPZQFW-NXEZZACHSA-N 1 3 209.297 -0.005 10 0 BBAEHO NC[C@@H]1CCC[C@@H]1[NH2+]CCn1cncn1 ZINC000362978169 388562944 /nfs/dbraw/zinc/56/29/44/388562944.db2.gz XWTFCVAAMPZQFW-UWVGGRQHSA-N 1 3 209.297 -0.005 10 0 BBAEHO [NH3+]C[C@@H]1CCC[C@@H]1NCCn1cncn1 ZINC000362978169 388562941 /nfs/dbraw/zinc/56/29/41/388562941.db2.gz XWTFCVAAMPZQFW-UWVGGRQHSA-N 1 3 209.297 -0.005 10 0 BBAEHO NC[C@@H]1CCC[C@H]1[NH2+]CCn1cncn1 ZINC000362978170 388563203 /nfs/dbraw/zinc/56/32/03/388563203.db2.gz XWTFCVAAMPZQFW-VHSXEESVSA-N 1 3 209.297 -0.005 10 0 BBAEHO [NH3+]C[C@@H]1CCC[C@H]1NCCn1cncn1 ZINC000362978170 388563197 /nfs/dbraw/zinc/56/31/97/388563197.db2.gz XWTFCVAAMPZQFW-VHSXEESVSA-N 1 3 209.297 -0.005 10 0 BBAEHO NC[C@H]1CCC[C@@H]1[NH2+]CCn1cncn1 ZINC000362978171 388562743 /nfs/dbraw/zinc/56/27/43/388562743.db2.gz XWTFCVAAMPZQFW-ZJUUUORDSA-N 1 3 209.297 -0.005 10 0 BBAEHO [NH3+]C[C@H]1CCC[C@@H]1NCCn1cncn1 ZINC000362978171 388562741 /nfs/dbraw/zinc/56/27/41/388562741.db2.gz XWTFCVAAMPZQFW-ZJUUUORDSA-N 1 3 209.297 -0.005 10 0 BBAEHO C[C@@H](CC[NH3+])NC(=O)[C@H]1C[C@H](F)CN1 ZINC000378664626 385457780 /nfs/dbraw/zinc/45/77/80/385457780.db2.gz FHPUINSZUYFBEY-BIIVOSGPSA-N 1 3 203.261 -0.460 10 0 BBAEHO C[C@H](CC[NH3+])NC(=O)[C@H]1C[C@H](F)CN1 ZINC000378664627 385458447 /nfs/dbraw/zinc/45/84/47/385458447.db2.gz FHPUINSZUYFBEY-GJMOJQLCSA-N 1 3 203.261 -0.460 10 0 BBAEHO CC[C@H](N)C(=O)N1C[C@@H](F)C[C@H]1C[NH3+] ZINC000378772850 712360492 /nfs/dbraw/zinc/36/04/92/712360492.db2.gz GKOYLWGFUITBPG-FXQIFTODSA-N 1 3 203.261 -0.379 10 0 BBAEHO C[C@@H](C[NH3+])CNC(=O)[C@H]1C[C@H](F)CN1 ZINC000378792369 346834015 /nfs/dbraw/zinc/83/40/15/346834015.db2.gz OJHZZCFDGWTKJH-BIIVOSGPSA-N 1 3 203.261 -0.603 10 0 BBAEHO C[C@H](C[NH3+])CNC(=O)[C@H]1C[C@H](F)CN1 ZINC000378792374 346834110 /nfs/dbraw/zinc/83/41/10/346834110.db2.gz OJHZZCFDGWTKJH-GJMOJQLCSA-N 1 3 203.261 -0.603 10 0 BBAEHO C[C@H](O)CCNC[C@@H](O)C[N@@H+](C)C1CC1 ZINC000379952419 398179052 /nfs/dbraw/zinc/17/90/52/398179052.db2.gz FEVVLHPQPXCETA-GXSJLCMTSA-N 1 3 216.325 -0.198 10 0 BBAEHO C[C@H](O)CCNC[C@@H](O)C[N@H+](C)C1CC1 ZINC000379952419 398179049 /nfs/dbraw/zinc/17/90/49/398179049.db2.gz FEVVLHPQPXCETA-GXSJLCMTSA-N 1 3 216.325 -0.198 10 0 BBAEHO C[C@@H](O)CCNC[C@H](O)C[N@@H+](C)C1CC1 ZINC000379952423 398179038 /nfs/dbraw/zinc/17/90/38/398179038.db2.gz FEVVLHPQPXCETA-KOLCDFICSA-N 1 3 216.325 -0.198 10 0 BBAEHO C[C@@H](O)CCNC[C@H](O)C[N@H+](C)C1CC1 ZINC000379952423 398179035 /nfs/dbraw/zinc/17/90/35/398179035.db2.gz FEVVLHPQPXCETA-KOLCDFICSA-N 1 3 216.325 -0.198 10 0 BBAEHO C[C@@H](O)CCNC[C@@H](O)C[N@@H+](C)C1CC1 ZINC000379952429 398178889 /nfs/dbraw/zinc/17/88/89/398178889.db2.gz FEVVLHPQPXCETA-MWLCHTKSSA-N 1 3 216.325 -0.198 10 0 BBAEHO C[C@@H](O)CCNC[C@@H](O)C[N@H+](C)C1CC1 ZINC000379952429 398178887 /nfs/dbraw/zinc/17/88/87/398178887.db2.gz FEVVLHPQPXCETA-MWLCHTKSSA-N 1 3 216.325 -0.198 10 0 BBAEHO C[C@H](O)CCNC[C@H](O)C[N@@H+](C)C1CC1 ZINC000379952434 398178859 /nfs/dbraw/zinc/17/88/59/398178859.db2.gz FEVVLHPQPXCETA-ONGXEEELSA-N 1 3 216.325 -0.198 10 0 BBAEHO C[C@H](O)CCNC[C@H](O)C[N@H+](C)C1CC1 ZINC000379952434 398178857 /nfs/dbraw/zinc/17/88/57/398178857.db2.gz FEVVLHPQPXCETA-ONGXEEELSA-N 1 3 216.325 -0.198 10 0 BBAEHO NC1(C(=O)NC[C@@H]2CC[NH2+]C2)CCCC1 ZINC000381408176 398256498 /nfs/dbraw/zinc/25/64/98/398256498.db2.gz RYJXNLALTSSRDE-SECBINFHSA-N 1 3 211.309 -0.016 10 0 BBAEHO NC1(C(=O)NC[C@H]2CC[NH2+]C2)CCCC1 ZINC000381408180 398256475 /nfs/dbraw/zinc/25/64/75/398256475.db2.gz RYJXNLALTSSRDE-VIFPVBQESA-N 1 3 211.309 -0.016 10 0 BBAEHO C[C@@H]1[C@H](C)NCCN1C(=O)[C@@H]1CC[NH2+]C1 ZINC000381540190 367427400 /nfs/dbraw/zinc/42/74/00/367427400.db2.gz HJNJVLQNMCYWDP-IVZWLZJFSA-N 1 3 211.309 -0.195 10 0 BBAEHO C[C@H]1NCCN(C(=O)[C@@H]2CC[NH2+]C2)[C@H]1C ZINC000381540191 367427881 /nfs/dbraw/zinc/42/78/81/367427881.db2.gz HJNJVLQNMCYWDP-KXUCPTDWSA-N 1 3 211.309 -0.195 10 0 BBAEHO C[C@@H]1NCCN(C(=O)[C@@H]2CC[NH2+]C2)[C@H]1C ZINC000381540192 367427950 /nfs/dbraw/zinc/42/79/50/367427950.db2.gz HJNJVLQNMCYWDP-LPEHRKFASA-N 1 3 211.309 -0.195 10 0 BBAEHO C[C@H]1NCCN(C(=O)[C@@H]2CC[NH2+]C2)[C@@H]1C ZINC000381540194 367427156 /nfs/dbraw/zinc/42/71/56/367427156.db2.gz HJNJVLQNMCYWDP-OPRDCNLKSA-N 1 3 211.309 -0.195 10 0 BBAEHO CN1CC[C@H](N2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)C1=O ZINC000381578622 367432608 /nfs/dbraw/zinc/43/26/08/367432608.db2.gz ZKDPGJXTBHHDTF-MMWGEVLESA-N 1 3 223.320 -0.114 10 0 BBAEHO CN1CC[C@H](N2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)C1=O ZINC000381578625 367432024 /nfs/dbraw/zinc/43/20/24/367432024.db2.gz ZKDPGJXTBHHDTF-NAKRPEOUSA-N 1 3 223.320 -0.114 10 0 BBAEHO CN1CC[C@H](N2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)C1=O ZINC000381578628 367432400 /nfs/dbraw/zinc/43/24/00/367432400.db2.gz ZKDPGJXTBHHDTF-VLEAKVRGSA-N 1 3 223.320 -0.114 10 0 BBAEHO CN1CC[C@H](N2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)C1=O ZINC000381578629 346382885 /nfs/dbraw/zinc/38/28/85/346382885.db2.gz ZKDPGJXTBHHDTF-ZDCRXTMVSA-N 1 3 223.320 -0.114 10 0 BBAEHO C[NH2+][C@H](C)CNC(=O)CCOC1CNC1 ZINC000381608577 398266912 /nfs/dbraw/zinc/26/69/12/398266912.db2.gz RIKTVUGSDWYCFP-MRVPVSSYSA-N 1 3 215.297 -0.911 10 0 BBAEHO C[NH2+][C@@H](C)CNC(=O)CCOC1CNC1 ZINC000381608579 398266895 /nfs/dbraw/zinc/26/68/95/398266895.db2.gz RIKTVUGSDWYCFP-QMMMGPOBSA-N 1 3 215.297 -0.911 10 0 BBAEHO C[NH2+][C@H](C)CNC(=O)COC1(C)CNC1 ZINC000381618132 398266963 /nfs/dbraw/zinc/26/69/63/398266963.db2.gz WQBFUBOPXAWYMM-MRVPVSSYSA-N 1 3 215.297 -0.911 10 0 BBAEHO C[NH2+][C@@H](C)CNC(=O)COC1(C)CNC1 ZINC000381618133 398266846 /nfs/dbraw/zinc/26/68/46/398266846.db2.gz WQBFUBOPXAWYMM-QMMMGPOBSA-N 1 3 215.297 -0.911 10 0 BBAEHO CN(CCC[NH3+])C(=O)[C@H]1C[C@H](F)CN1 ZINC000382010497 398299685 /nfs/dbraw/zinc/29/96/85/398299685.db2.gz MHLAHNVEKSMYPO-JGVFFNPUSA-N 1 3 203.261 -0.506 10 0 BBAEHO CC(C)[C@H]([NH3+])CNC(=O)[C@H]1C[C@H](F)CN1 ZINC000382401279 367515771 /nfs/dbraw/zinc/51/57/71/367515771.db2.gz PZBUPJWKPZKYAR-DJLDLDEBSA-N 1 3 217.288 -0.214 10 0 BBAEHO CC(C)[C@@H]([NH3+])CNC(=O)[C@H]1C[C@H](F)CN1 ZINC000382401280 367516074 /nfs/dbraw/zinc/51/60/74/367516074.db2.gz PZBUPJWKPZKYAR-XHNCKOQMSA-N 1 3 217.288 -0.214 10 0 BBAEHO CC[NH2+]CCCNC(=O)[C@H]1C[C@H](F)CN1 ZINC000382416037 350599448 /nfs/dbraw/zinc/59/94/48/350599448.db2.gz WANAVDLNPFYAAS-DTWKUNHWSA-N 1 3 217.288 -0.198 10 0 BBAEHO CCCN1CC[C@H](NC(=O)[C@H]2C[C@@H](O)C[NH2+]2)C1 ZINC000389693661 488105808 /nfs/dbraw/zinc/10/58/08/488105808.db2.gz AYRAEKIHYQWJIN-HBNTYKKESA-N 1 3 241.335 -0.690 10 0 BBAEHO NC(C(=O)NC[C@H]1CC[NH2+]C1)C(F)(F)F ZINC000390208701 398163671 /nfs/dbraw/zinc/16/36/71/398163671.db2.gz UCGGSRWQJCSELY-NTSWFWBYSA-N 1 3 225.214 -0.398 10 0 BBAEHO NC(C(=O)NC[C@@H]1CC[NH2+]C1)C(F)(F)F ZINC000390208713 398163104 /nfs/dbraw/zinc/16/31/04/398163104.db2.gz UCGGSRWQJCSELY-PHDIDXHHSA-N 1 3 225.214 -0.398 10 0 BBAEHO NC(C(=O)NC[C@@H]1CC[NH2+]C1)C(F)(F)F ZINC000390208717 398163482 /nfs/dbraw/zinc/16/34/82/398163482.db2.gz UCGGSRWQJCSELY-RITPCOANSA-N 1 3 225.214 -0.398 10 0 BBAEHO NC(C(=O)NC[C@H]1CC[NH2+]C1)C(F)(F)F ZINC000390208719 398163157 /nfs/dbraw/zinc/16/31/57/398163157.db2.gz UCGGSRWQJCSELY-WDSKDSINSA-N 1 3 225.214 -0.398 10 0 BBAEHO C[C@@H]1CN(C(=O)[C@@H]2CC[NH2+]C2)[C@@H](C)CN1 ZINC000390796189 385905110 /nfs/dbraw/zinc/90/51/10/385905110.db2.gz ROGVGOUVUCAYCT-KXUCPTDWSA-N 1 3 211.309 -0.195 10 0 BBAEHO C[C@@H]1CN(C(=O)[C@@H]2CC[NH2+]C2)[C@H](C)CN1 ZINC000390796190 259415694 /nfs/dbraw/zinc/41/56/94/259415694.db2.gz ROGVGOUVUCAYCT-OPRDCNLKSA-N 1 3 211.309 -0.195 10 0 BBAEHO CC[C@@H](N)C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000393801657 343960347 /nfs/dbraw/zinc/96/03/47/343960347.db2.gz SXJWKKOBJHXHJM-AXTSPUMRSA-N 1 3 211.309 -0.081 10 0 BBAEHO CC[C@@H](N)C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000393801659 343960385 /nfs/dbraw/zinc/96/03/85/343960385.db2.gz SXJWKKOBJHXHJM-QEYWKRMJSA-N 1 3 211.309 -0.081 10 0 BBAEHO C[C@@H]1CN[C@@H](C)CN1C(=O)[C@@H]1CC[NH2+]C1 ZINC000393809319 259389143 /nfs/dbraw/zinc/38/91/43/259389143.db2.gz ROGVGOUVUCAYCT-IVZWLZJFSA-N 1 3 211.309 -0.195 10 0 BBAEHO C[C@H]1CN(C(=O)[C@@H]2CC[NH2+]C2)[C@@H](C)CN1 ZINC000393809321 259389410 /nfs/dbraw/zinc/38/94/10/259389410.db2.gz ROGVGOUVUCAYCT-LPEHRKFASA-N 1 3 211.309 -0.195 10 0 BBAEHO CC1CCN(C[C@@H]2OC[C@H]([NH3+])[C@H]2O)CC1 ZINC000514288004 384404022 /nfs/dbraw/zinc/40/40/22/384404022.db2.gz JCEIRMPNYWCATH-GARJFASQSA-N 1 3 214.309 -0.195 10 0 biogenic,in-vitro BBAEHO COC[C@H]1CCCN1C[C@@H]1OC[C@H]([NH3+])[C@H]1O ZINC000514288020 384402612 /nfs/dbraw/zinc/40/26/12/384402612.db2.gz LLOHNXGWIJEZJT-VPOLOUISSA-N 1 3 230.308 -0.816 10 0 biogenic,in-vitro BBAEHO CCCCN(C)C[C@@H]1OC[C@H]([NH3+])[C@H]1O ZINC000514288037 384403838 /nfs/dbraw/zinc/40/38/38/384403838.db2.gz VZDWHAQZFONNQU-LPEHRKFASA-N 1 3 202.298 -0.195 10 0 biogenic,in-vitro BBAEHO CN(C)[C@H]1CCN(C(=O)[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000580075831 346513493 /nfs/dbraw/zinc/51/34/93/346513493.db2.gz BCRQVQSYCOMMKU-AEJSXWLSSA-N 1 3 211.309 -0.114 10 0 BBAEHO CN(C)[C@@H]1CCN(C(=O)[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000580075832 346513473 /nfs/dbraw/zinc/51/34/73/346513473.db2.gz BCRQVQSYCOMMKU-KXUCPTDWSA-N 1 3 211.309 -0.114 10 0 BBAEHO C[NH+](C)CCOCCNC(=O)[C@H]1C[C@H](F)CN1 ZINC000583933148 342728087 /nfs/dbraw/zinc/72/80/87/342728087.db2.gz CHLMFSXHXXARQB-VHSXEESVSA-N 1 3 247.314 -0.619 10 0 BBAEHO C[NH2+]CCCN(C)C(=O)[C@H]1C[C@H](F)CN1 ZINC000584720708 358162160 /nfs/dbraw/zinc/16/21/60/358162160.db2.gz ALBFGXDLCBGMOU-DTWKUNHWSA-N 1 3 217.288 -0.246 10 0 BBAEHO C[NH2+]CCOCCN(C)CCC(=O)OC ZINC000600730152 344363983 /nfs/dbraw/zinc/36/39/83/344363983.db2.gz YKRWFUZNIOQXNG-UHFFFAOYSA-N 1 3 218.297 -0.283 10 0 BBAEHO COC(=O)CCN(C)CCOCC[NH3+] ZINC000600739340 344366395 /nfs/dbraw/zinc/36/63/95/344366395.db2.gz BJRDKOZMZAUIAE-UHFFFAOYSA-N 1 3 204.270 -0.543 10 0 BBAEHO CNC(=O)NC(=O)CCN1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000601326062 347207859 /nfs/dbraw/zinc/20/78/59/347207859.db2.gz IZRJVDIMUWYFCA-BDAKNGLRSA-N 1 3 242.323 -0.641 10 0 BBAEHO CNC(=O)NC(=O)CCN1C[C@H](C)[C@H](C[NH3+])C1 ZINC000601326063 347207953 /nfs/dbraw/zinc/20/79/53/347207953.db2.gz IZRJVDIMUWYFCA-DTWKUNHWSA-N 1 3 242.323 -0.641 10 0 BBAEHO CNC(=O)NC(=O)CCN1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000601326064 347208034 /nfs/dbraw/zinc/20/80/34/347208034.db2.gz IZRJVDIMUWYFCA-IUCAKERBSA-N 1 3 242.323 -0.641 10 0 BBAEHO C[NH2+]CCCn1cc(CN)c(=O)[nH]c1=O ZINC000616568800 369090402 /nfs/dbraw/zinc/09/04/02/369090402.db2.gz MXQRBEPXKMSUOT-UHFFFAOYSA-N 1 3 212.253 -0.983 10 0 BBAEHO CN1CCCN([C@H]2CC[NH2+]CC[C@@H]2O)CC1 ZINC000616577230 349123037 /nfs/dbraw/zinc/12/30/37/349123037.db2.gz FOPLPHOASOVPKH-RYUDHWBXSA-N 1 3 227.352 -0.263 10 0 BBAEHO Nc1cc([C@@H]2CN(CC[NH3+])CCN2)ccn1 ZINC000616633457 411287728 /nfs/dbraw/zinc/28/77/28/411287728.db2.gz AQROMDDHFXLYOR-JTQLQIEISA-N 1 3 221.308 -0.431 10 0 BBAEHO NC(=O)c1ccc([C@@H]2CN(CC[NH3+])CCN2)cc1 ZINC000616634520 351116997 /nfs/dbraw/zinc/11/69/97/351116997.db2.gz USLZOHHQYIDNMX-LBPRGKRZSA-N 1 3 248.330 -0.310 10 0 BBAEHO Nc1ccc([C@@H]2CN(CC[NH3+])CCN2)cn1 ZINC000616634774 411405558 /nfs/dbraw/zinc/40/55/58/411405558.db2.gz XSLWDRCFILMZIO-JTQLQIEISA-N 1 3 221.308 -0.431 10 0 BBAEHO Nc1ccc([C@@H]2CNCCN2CC[NH3+])cn1 ZINC000616635261 411287584 /nfs/dbraw/zinc/28/75/84/411287584.db2.gz BLFBSEFMMCLIJI-JTQLQIEISA-N 1 3 221.308 -0.431 10 0 BBAEHO Nc1ccc([C@H]2CNCCN2CC[NH3+])cn1 ZINC000616635523 411287565 /nfs/dbraw/zinc/28/75/65/411287565.db2.gz BLFBSEFMMCLIJI-SNVBAGLBSA-N 1 3 221.308 -0.431 10 0 BBAEHO Nc1ncccc1[C@@H]1CNCCN1CC[NH3+] ZINC000616635552 398208485 /nfs/dbraw/zinc/20/84/85/398208485.db2.gz GTCSMDUUPWNZIL-JTQLQIEISA-N 1 3 221.308 -0.431 10 0 BBAEHO Nc1cc([C@@H]2CNCCN2CC[NH3+])ccn1 ZINC000616635616 411287890 /nfs/dbraw/zinc/28/78/90/411287890.db2.gz IPNLLUYQTXDQMV-JTQLQIEISA-N 1 3 221.308 -0.431 10 0 BBAEHO NC(=O)c1ccccc1[C@@H]1CNCCN1CC[NH3+] ZINC000616635696 351108505 /nfs/dbraw/zinc/10/85/05/351108505.db2.gz KGDMBNLRMATYCJ-LBPRGKRZSA-N 1 3 248.330 -0.310 10 0 BBAEHO Nc1ncccc1[C@H]1CNCCN1CC[NH3+] ZINC000616635744 351121417 /nfs/dbraw/zinc/12/14/17/351121417.db2.gz GTCSMDUUPWNZIL-SNVBAGLBSA-N 1 3 221.308 -0.431 10 0 BBAEHO Nc1cccc([C@@H]2CNCCN2CC[NH3+])n1 ZINC000616635751 351121264 /nfs/dbraw/zinc/12/12/64/351121264.db2.gz LKCVDMGWRVVKMB-JTQLQIEISA-N 1 3 221.308 -0.431 10 0 BBAEHO [NH3+]CCN1CCNC[C@H]1c1ccnnc1 ZINC000616635775 351121198 /nfs/dbraw/zinc/12/11/98/351121198.db2.gz MGVNSOYAFGSZTP-JTQLQIEISA-N 1 3 207.281 -0.618 10 0 BBAEHO [NH3+]CCN1CCNC[C@H]1c1cccnn1 ZINC000616635899 385817484 /nfs/dbraw/zinc/81/74/84/385817484.db2.gz MTDQWSYTVCKAAF-JTQLQIEISA-N 1 3 207.281 -0.618 10 0 BBAEHO [NH3+]CCN1CCNC[C@@H]1OC(F)(F)F ZINC000616635998 351121348 /nfs/dbraw/zinc/12/13/48/351121348.db2.gz IHTWIFDSBIHKBG-LURJTMIESA-N 1 3 213.203 -0.287 10 0 BBAEHO Nc1cc([C@H]2CNCCN2CC[NH3+])ccn1 ZINC000616636015 411287273 /nfs/dbraw/zinc/28/72/73/411287273.db2.gz IPNLLUYQTXDQMV-SNVBAGLBSA-N 1 3 221.308 -0.431 10 0 BBAEHO NC(=O)c1ccc([C@@H]2CNCCN2CC[NH3+])cc1 ZINC000616636033 351122703 /nfs/dbraw/zinc/12/27/03/351122703.db2.gz QBARMTGVSIFPJY-LBPRGKRZSA-N 1 3 248.330 -0.310 10 0 BBAEHO [NH3+]CCN1CCNC[C@H]1c1cncnc1 ZINC000616636056 351122940 /nfs/dbraw/zinc/12/29/40/351122940.db2.gz QSGRQUNACJZTBM-JTQLQIEISA-N 1 3 207.281 -0.618 10 0 BBAEHO NC(=O)c1ccccc1[C@H]1CNCCN1CC[NH3+] ZINC000616636108 351123991 /nfs/dbraw/zinc/12/39/91/351123991.db2.gz KGDMBNLRMATYCJ-GFCCVEGCSA-N 1 3 248.330 -0.310 10 0 BBAEHO Nc1cccc([C@H]2CNCCN2CC[NH3+])n1 ZINC000616636171 351123601 /nfs/dbraw/zinc/12/36/01/351123601.db2.gz LKCVDMGWRVVKMB-SNVBAGLBSA-N 1 3 221.308 -0.431 10 0 BBAEHO [NH3+]CCN1CCNC[C@@H]1c1ccnnc1 ZINC000616636230 351123837 /nfs/dbraw/zinc/12/38/37/351123837.db2.gz MGVNSOYAFGSZTP-SNVBAGLBSA-N 1 3 207.281 -0.618 10 0 BBAEHO NC(=O)c1cccc([C@@H]2CNCCN2CC[NH3+])c1 ZINC000616636428 351125339 /nfs/dbraw/zinc/12/53/39/351125339.db2.gz RPVNGFDBMPTLRU-LBPRGKRZSA-N 1 3 248.330 -0.310 10 0 BBAEHO [NH3+]CCN1CCNC[C@H]1c1ccccn1 ZINC000616636445 351125192 /nfs/dbraw/zinc/12/51/92/351125192.db2.gz SWKFUPQMAQBMIC-NSHDSACASA-N 1 3 206.293 -0.013 10 0 BBAEHO [NH3+]CCN1CCNC[C@H]1c1ncccn1 ZINC000616636467 351125496 /nfs/dbraw/zinc/12/54/96/351125496.db2.gz UCLIBFPGSGTIFL-VIFPVBQESA-N 1 3 207.281 -0.618 10 0 BBAEHO [NH3+]CCN1CCNC[C@H]1c1ccncc1 ZINC000616636495 351127242 /nfs/dbraw/zinc/12/72/42/351127242.db2.gz USDZKEDETYLRTI-NSHDSACASA-N 1 3 206.293 -0.013 10 0 BBAEHO [NH3+]CCN1CCNC[C@@H]1c1cccnn1 ZINC000616636617 351128223 /nfs/dbraw/zinc/12/82/23/351128223.db2.gz MTDQWSYTVCKAAF-SNVBAGLBSA-N 1 3 207.281 -0.618 10 0 BBAEHO NC(=O)c1ccc([C@H]2CNCCN2CC[NH3+])cc1 ZINC000616636853 351129384 /nfs/dbraw/zinc/12/93/84/351129384.db2.gz QBARMTGVSIFPJY-GFCCVEGCSA-N 1 3 248.330 -0.310 10 0 BBAEHO [NH3+]CCN1CCNC[C@@H]1c1cncnc1 ZINC000616636882 351130285 /nfs/dbraw/zinc/13/02/85/351130285.db2.gz QSGRQUNACJZTBM-SNVBAGLBSA-N 1 3 207.281 -0.618 10 0 BBAEHO NC(=O)c1cccc([C@H]2CNCCN2CC[NH3+])c1 ZINC000616637177 351133556 /nfs/dbraw/zinc/13/35/56/351133556.db2.gz RPVNGFDBMPTLRU-GFCCVEGCSA-N 1 3 248.330 -0.310 10 0 BBAEHO [NH3+]CCN1CCNC[C@@H]1c1ccccn1 ZINC000616637211 351133600 /nfs/dbraw/zinc/13/36/00/351133600.db2.gz SWKFUPQMAQBMIC-LLVKDONJSA-N 1 3 206.293 -0.013 10 0 BBAEHO [NH3+]CCN1CCNC[C@@H]1c1ncccn1 ZINC000616637241 351131183 /nfs/dbraw/zinc/13/11/83/351131183.db2.gz UCLIBFPGSGTIFL-SECBINFHSA-N 1 3 207.281 -0.618 10 0 BBAEHO [NH3+]CCN1CCNC[C@@H]1c1ccncc1 ZINC000616637265 351131158 /nfs/dbraw/zinc/13/11/58/351131158.db2.gz USDZKEDETYLRTI-LLVKDONJSA-N 1 3 206.293 -0.013 10 0 BBAEHO Nc1cc([C@H]2CN(CC[NH3+])CCN2)ccn1 ZINC000616651976 411287102 /nfs/dbraw/zinc/28/71/02/411287102.db2.gz AQROMDDHFXLYOR-SNVBAGLBSA-N 1 3 221.308 -0.431 10 0 BBAEHO NC(=O)c1ccc([C@H]2CN(CC[NH3+])CCN2)cc1 ZINC000616656878 351197220 /nfs/dbraw/zinc/19/72/20/351197220.db2.gz USLZOHHQYIDNMX-GFCCVEGCSA-N 1 3 248.330 -0.310 10 0 BBAEHO Nc1ccc([C@H]2CN(CC[NH3+])CCN2)cn1 ZINC000616658127 411287343 /nfs/dbraw/zinc/28/73/43/411287343.db2.gz XSLWDRCFILMZIO-SNVBAGLBSA-N 1 3 221.308 -0.431 10 0 BBAEHO C[C@H](NC[C@@H]1COCCN1C)[C@@H]1CC[NH2+]C1 ZINC000629532842 361155528 /nfs/dbraw/zinc/15/55/28/361155528.db2.gz VVMHNAFLUZITCF-QJPTWQEYSA-N 1 3 227.352 -0.095 10 0 BBAEHO C[C@H](NC[C@@H]1COCCN1C)[C@H]1CC[NH2+]C1 ZINC000629532843 361156353 /nfs/dbraw/zinc/15/63/53/361156353.db2.gz VVMHNAFLUZITCF-SDDRHHMPSA-N 1 3 227.352 -0.095 10 0 BBAEHO C[C@H](NC[C@H]1COCCN1C)[C@H]1CC[NH2+]C1 ZINC000629532844 361155495 /nfs/dbraw/zinc/15/54/95/361155495.db2.gz VVMHNAFLUZITCF-SRVKXCTJSA-N 1 3 227.352 -0.095 10 0 BBAEHO C[C@H](NC[C@H]1COCCN1C)[C@@H]1CC[NH2+]C1 ZINC000629532845 361155637 /nfs/dbraw/zinc/15/56/37/361155637.db2.gz VVMHNAFLUZITCF-TUAOUCFPSA-N 1 3 227.352 -0.095 10 0 BBAEHO OCC1CC(NC[C@@H](O)C[NH+]2CCCC2)C1 ZINC000629585366 361474510 /nfs/dbraw/zinc/47/45/10/361474510.db2.gz SZUSXRIPWQRRMC-HTAVTVPLSA-N 1 3 228.336 -0.196 10 0 BBAEHO OCC1CC(NC[C@H](O)C[NH+]2CCCC2)C1 ZINC000629585367 361474518 /nfs/dbraw/zinc/47/45/18/361474518.db2.gz SZUSXRIPWQRRMC-MCIGGMRASA-N 1 3 228.336 -0.196 10 0 BBAEHO C[C@H]1CN(CCn2cncn2)C[C@@H]1C[NH3+] ZINC000631837161 372627555 /nfs/dbraw/zinc/62/75/55/372627555.db2.gz NQXSYTDNFMGOFU-UWVGGRQHSA-N 1 3 209.297 -0.195 10 0 BBAEHO C[C@H]1CN(CCn2cncn2)C[C@H]1C[NH3+] ZINC000631837162 372618331 /nfs/dbraw/zinc/61/83/31/372618331.db2.gz NQXSYTDNFMGOFU-VHSXEESVSA-N 1 3 209.297 -0.195 10 0 BBAEHO C[C@@H]1CN(CCn2cncn2)C[C@@H]1C[NH3+] ZINC000631837163 372618666 /nfs/dbraw/zinc/61/86/66/372618666.db2.gz NQXSYTDNFMGOFU-ZJUUUORDSA-N 1 3 209.297 -0.195 10 0 BBAEHO C[C@H]1C[N@@H+](CCC(=O)N(C)C)C[C@@H]1CN ZINC000631838617 372634074 /nfs/dbraw/zinc/63/40/74/372634074.db2.gz RJYABOKFZAMFDQ-UWVGGRQHSA-N 1 3 213.325 -0.009 10 0 BBAEHO C[C@H]1C[N@H+](CCC(=O)N(C)C)C[C@@H]1CN ZINC000631838617 372634070 /nfs/dbraw/zinc/63/40/70/372634070.db2.gz RJYABOKFZAMFDQ-UWVGGRQHSA-N 1 3 213.325 -0.009 10 0 BBAEHO C[C@H]1C[N@@H+](CCC(=O)N(C)C)C[C@H]1CN ZINC000631838618 372634408 /nfs/dbraw/zinc/63/44/08/372634408.db2.gz RJYABOKFZAMFDQ-VHSXEESVSA-N 1 3 213.325 -0.009 10 0 BBAEHO C[C@H]1C[N@H+](CCC(=O)N(C)C)C[C@H]1CN ZINC000631838618 372634405 /nfs/dbraw/zinc/63/44/05/372634405.db2.gz RJYABOKFZAMFDQ-VHSXEESVSA-N 1 3 213.325 -0.009 10 0 BBAEHO C[C@@H]1C[N@@H+](CCC(=O)N(C)C)C[C@@H]1CN ZINC000631838619 372633683 /nfs/dbraw/zinc/63/36/83/372633683.db2.gz RJYABOKFZAMFDQ-ZJUUUORDSA-N 1 3 213.325 -0.009 10 0 BBAEHO C[C@@H]1C[N@H+](CCC(=O)N(C)C)C[C@@H]1CN ZINC000631838619 372633678 /nfs/dbraw/zinc/63/36/78/372633678.db2.gz RJYABOKFZAMFDQ-ZJUUUORDSA-N 1 3 213.325 -0.009 10 0 BBAEHO C[C@@H]1CN(CCN2CCOCC2)C[C@@H]1C[NH3+] ZINC000631839774 372635928 /nfs/dbraw/zinc/63/59/28/372635928.db2.gz KRWXUHBZBLWYEE-NEPJUHHUSA-N 1 3 227.352 -0.155 10 0 BBAEHO C[C@H]1CN(CCN2CCOCC2)C[C@@H]1C[NH3+] ZINC000631839776 372635563 /nfs/dbraw/zinc/63/55/63/372635563.db2.gz KRWXUHBZBLWYEE-RYUDHWBXSA-N 1 3 227.352 -0.155 10 0 BBAEHO CCN1CCC[C@H](NC(=O)[C@@H]2OCC[C@@H]2[NH3+])C1 ZINC000638081351 351957378 /nfs/dbraw/zinc/95/73/78/351957378.db2.gz YKZPCLCALXGYNC-GARJFASQSA-N 1 3 241.335 -0.297 10 0 BBAEHO CCN1CCC[C@@H](NC(=O)[C@@H]2OCC[C@@H]2[NH3+])C1 ZINC000638081352 351957296 /nfs/dbraw/zinc/95/72/96/351957296.db2.gz YKZPCLCALXGYNC-OUAUKWLOSA-N 1 3 241.335 -0.297 10 0 BBAEHO C[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2OCC[C@@H]2N)C1 ZINC000638274170 352111638 /nfs/dbraw/zinc/11/16/38/352111638.db2.gz GFLMBYARCNAWNC-KXUCPTDWSA-N 1 3 227.308 -0.735 10 0 BBAEHO C[NH+](C)[C@H]1CCN(C(=O)[C@@H]2OCC[C@@H]2N)C1 ZINC000638274171 352111835 /nfs/dbraw/zinc/11/18/35/352111835.db2.gz GFLMBYARCNAWNC-LPEHRKFASA-N 1 3 227.308 -0.735 10 0 BBAEHO CN1CCC[C@@H]1CNC(=O)[C@@H]1C[NH2+]CCOC1 ZINC000638529084 352362297 /nfs/dbraw/zinc/36/22/97/352362297.db2.gz ZISXVLWYVUHUMN-GHMZBOCLSA-N 1 3 241.335 -0.567 10 0 BBAEHO CN1CCC[C@@H]1CNC(=O)[C@H]1C[NH2+]CCOC1 ZINC000638529085 352361846 /nfs/dbraw/zinc/36/18/46/352361846.db2.gz ZISXVLWYVUHUMN-WDEREUQCSA-N 1 3 241.335 -0.567 10 0 BBAEHO CN1CCC[C@H]1CNC(=O)[C@@H]1C[NH2+]CCOC1 ZINC000638729338 386649167 /nfs/dbraw/zinc/64/91/67/386649167.db2.gz ZISXVLWYVUHUMN-MNOVXSKESA-N 1 3 241.335 -0.567 10 0 BBAEHO CN1CCC[C@H]1CNC(=O)[C@H]1C[NH2+]CCOC1 ZINC000638729339 386649017 /nfs/dbraw/zinc/64/90/17/386649017.db2.gz ZISXVLWYVUHUMN-QWRGUYRKSA-N 1 3 241.335 -0.567 10 0 BBAEHO CC(C(=O)N1C[C@@H](C)[C@@H](C[NH3+])C1)S(C)(=O)=O ZINC000638888092 353049651 /nfs/dbraw/zinc/04/96/51/353049651.db2.gz HHWXVKXRBBXFMB-HLTSFMKQSA-N 1 3 248.348 -0.527 10 0 BBAEHO CC(C(=O)N1C[C@@H](C[NH3+])[C@H](C)C1)S(C)(=O)=O ZINC000638888093 353049581 /nfs/dbraw/zinc/04/95/81/353049581.db2.gz HHWXVKXRBBXFMB-HRDYMLBCSA-N 1 3 248.348 -0.527 10 0 BBAEHO CC(C(=O)N1C[C@@H](C[NH3+])[C@H](C)C1)S(C)(=O)=O ZINC000638888094 353049391 /nfs/dbraw/zinc/04/93/91/353049391.db2.gz HHWXVKXRBBXFMB-IWSPIJDZSA-N 1 3 248.348 -0.527 10 0 BBAEHO CC(C(=O)N1C[C@@H](C)[C@@H](C[NH3+])C1)S(C)(=O)=O ZINC000638888095 353049594 /nfs/dbraw/zinc/04/95/94/353049594.db2.gz HHWXVKXRBBXFMB-VGMNWLOBSA-N 1 3 248.348 -0.527 10 0 BBAEHO COC[C@@]1(C(=O)NCCN(C)C)CCC[NH2+]1 ZINC000643770542 385184164 /nfs/dbraw/zinc/18/41/64/385184164.db2.gz LFBPVVFKYDHKKO-LLVKDONJSA-N 1 3 229.324 -0.567 10 0 BBAEHO COC[C@]1(C(=O)NCCN(C)C)CCC[NH2+]1 ZINC000643770543 385185183 /nfs/dbraw/zinc/18/51/83/385185183.db2.gz LFBPVVFKYDHKKO-NSHDSACASA-N 1 3 229.324 -0.567 10 0 BBAEHO CN(C)[C@@H]1CCN(C(=O)[C@@H]2C[NH2+]CCOC2)C1 ZINC000643777438 383934139 /nfs/dbraw/zinc/93/41/39/383934139.db2.gz JINSNNDWGVTUGI-GHMZBOCLSA-N 1 3 241.335 -0.615 10 0 BBAEHO CN(C)[C@H]1CCN(C(=O)[C@@H]2C[NH2+]CCOC2)C1 ZINC000643777439 383934473 /nfs/dbraw/zinc/93/44/73/383934473.db2.gz JINSNNDWGVTUGI-MNOVXSKESA-N 1 3 241.335 -0.615 10 0 BBAEHO CN(C)[C@H]1CCN(C(=O)[C@H]2C[NH2+]CCOC2)C1 ZINC000643777440 383935578 /nfs/dbraw/zinc/93/55/78/383935578.db2.gz JINSNNDWGVTUGI-QWRGUYRKSA-N 1 3 241.335 -0.615 10 0 BBAEHO CN(C)[C@@H]1CCN(C(=O)[C@H]2C[NH2+]CCOC2)C1 ZINC000643777441 383933841 /nfs/dbraw/zinc/93/38/41/383933841.db2.gz JINSNNDWGVTUGI-WDEREUQCSA-N 1 3 241.335 -0.615 10 0 BBAEHO C[NH2+]CCCN(C)C(=O)[C@H]1CNCCOC1 ZINC000643801523 385120837 /nfs/dbraw/zinc/12/08/37/385120837.db2.gz JZXVXLIQZXOVPK-JTQLQIEISA-N 1 3 229.324 -0.710 10 0 BBAEHO C[NH2+]CCCN(C)C(=O)[C@@H]1CNCCOC1 ZINC000643801524 385120898 /nfs/dbraw/zinc/12/08/98/385120898.db2.gz JZXVXLIQZXOVPK-SNVBAGLBSA-N 1 3 229.324 -0.710 10 0 BBAEHO O=C([C@H]1C[NH2+]CCOC1)N1CCCNCC1 ZINC000647615067 384966983 /nfs/dbraw/zinc/96/69/83/384966983.db2.gz BFUZSYMLJFQSGV-JTQLQIEISA-N 1 3 227.308 -0.956 10 0 BBAEHO O=C([C@@H]1C[NH2+]CCOC1)N1CCCNCC1 ZINC000647615068 384968529 /nfs/dbraw/zinc/96/85/29/384968529.db2.gz BFUZSYMLJFQSGV-SNVBAGLBSA-N 1 3 227.308 -0.956 10 0 BBAEHO COC[C@@]1(C(=O)N2CCCNCC2)CCC[NH2+]1 ZINC000647615186 384967547 /nfs/dbraw/zinc/96/75/47/384967547.db2.gz PXBRKOBRBGFICF-GFCCVEGCSA-N 1 3 241.335 -0.423 10 0 BBAEHO COC[C@]1(C(=O)N2CCCNCC2)CCC[NH2+]1 ZINC000647615187 384966813 /nfs/dbraw/zinc/96/68/13/384966813.db2.gz PXBRKOBRBGFICF-LBPRGKRZSA-N 1 3 241.335 -0.423 10 0 BBAEHO [NH3+]C1CCC(NC(=O)[C@@H]2CNCCOC2)CC1 ZINC000647727027 385699231 /nfs/dbraw/zinc/69/92/31/385699231.db2.gz CALNQTHHPKJKPM-KPPDAEKUSA-N 1 3 241.335 -0.392 10 0 BBAEHO [NH3+]C1CCC(NC(=O)[C@H]2CNCCOC2)CC1 ZINC000647727028 385699568 /nfs/dbraw/zinc/69/95/68/385699568.db2.gz CALNQTHHPKJKPM-WHXUTIOJSA-N 1 3 241.335 -0.392 10 0 BBAEHO [NH3+][C@@H]1CC[C@@H]2CN([C@H]3CCNC3=O)C[C@@H]12 ZINC000647908180 386740893 /nfs/dbraw/zinc/74/08/93/386740893.db2.gz DKUOSTFAIBELMB-KYXWUPHJSA-N 1 3 209.293 -0.456 10 0 BBAEHO [NH3+][C@@H]1CC[C@@H]2CN([C@H]3CCNC3=O)C[C@H]12 ZINC000647908181 386740758 /nfs/dbraw/zinc/74/07/58/386740758.db2.gz DKUOSTFAIBELMB-RGOKHQFPSA-N 1 3 209.293 -0.456 10 0 BBAEHO [NH3+][C@@H]1CC[C@@H]2CN([C@@H]3CCNC3=O)C[C@H]12 ZINC000647908182 386741293 /nfs/dbraw/zinc/74/12/93/386741293.db2.gz DKUOSTFAIBELMB-UTINFBMNSA-N 1 3 209.293 -0.456 10 0 BBAEHO [NH3+][C@@H]1CC[C@@H]2CN([C@@H]3CCNC3=O)C[C@@H]12 ZINC000647908183 386742020 /nfs/dbraw/zinc/74/20/20/386742020.db2.gz DKUOSTFAIBELMB-ZYUZMQFOSA-N 1 3 209.293 -0.456 10 0 BBAEHO CN1CCC(NC(=O)[C@H]2C[NH2+]CCOC2)CC1 ZINC000649277646 388501565 /nfs/dbraw/zinc/50/15/65/388501565.db2.gz NARCHIWITMUGOJ-JTQLQIEISA-N 1 3 241.335 -0.567 10 0 BBAEHO CN1CCC(NC(=O)[C@@H]2C[NH2+]CCOC2)CC1 ZINC000649277647 388501546 /nfs/dbraw/zinc/50/15/46/388501546.db2.gz NARCHIWITMUGOJ-SNVBAGLBSA-N 1 3 241.335 -0.567 10 0 BBAEHO O=C(NCCN1CCCC1)[C@@H]1C[NH2+]CCOC1 ZINC000649280717 388514786 /nfs/dbraw/zinc/51/47/86/388514786.db2.gz HNXDOTJSZMVORM-LLVKDONJSA-N 1 3 241.335 -0.566 10 0 BBAEHO O=C(NCCN1CCCC1)[C@H]1C[NH2+]CCOC1 ZINC000649280718 388514607 /nfs/dbraw/zinc/51/46/07/388514607.db2.gz HNXDOTJSZMVORM-NSHDSACASA-N 1 3 241.335 -0.566 10 0 BBAEHO CN1CCC[C@@H](NC(=O)[C@@H]2C[NH2+]CCOC2)C1 ZINC000649304913 388589266 /nfs/dbraw/zinc/58/92/66/388589266.db2.gz MMZUMRZJSHBQEK-GHMZBOCLSA-N 1 3 241.335 -0.567 10 0 BBAEHO CN1CCC[C@H](NC(=O)[C@@H]2C[NH2+]CCOC2)C1 ZINC000649304914 388589160 /nfs/dbraw/zinc/58/91/60/388589160.db2.gz MMZUMRZJSHBQEK-MNOVXSKESA-N 1 3 241.335 -0.567 10 0 BBAEHO CN1CCC[C@H](NC(=O)[C@H]2C[NH2+]CCOC2)C1 ZINC000649304915 388589016 /nfs/dbraw/zinc/58/90/16/388589016.db2.gz MMZUMRZJSHBQEK-QWRGUYRKSA-N 1 3 241.335 -0.567 10 0 BBAEHO CN1CCC[C@@H](NC(=O)[C@H]2C[NH2+]CCOC2)C1 ZINC000649304916 388589473 /nfs/dbraw/zinc/58/94/73/388589473.db2.gz MMZUMRZJSHBQEK-WDEREUQCSA-N 1 3 241.335 -0.567 10 0 BBAEHO COC[C@@]1(C(=O)NC[C@H](C)N(C)C)CCC[NH2+]1 ZINC000649305905 388590317 /nfs/dbraw/zinc/59/03/17/388590317.db2.gz LOUIHPDDEHIHOG-CMPLNLGQSA-N 1 3 243.351 -0.179 10 0 BBAEHO COC[C@]1(C(=O)NC[C@H](C)N(C)C)CCC[NH2+]1 ZINC000649305906 388590441 /nfs/dbraw/zinc/59/04/41/388590441.db2.gz LOUIHPDDEHIHOG-JQWIXIFHSA-N 1 3 243.351 -0.179 10 0 BBAEHO COC[C@]1(C(=O)NC[C@@H](C)N(C)C)CCC[NH2+]1 ZINC000649305907 388590166 /nfs/dbraw/zinc/59/01/66/388590166.db2.gz LOUIHPDDEHIHOG-PWSUYJOCSA-N 1 3 243.351 -0.179 10 0 BBAEHO COC[C@@]1(C(=O)NC[C@@H](C)N(C)C)CCC[NH2+]1 ZINC000649305908 388590828 /nfs/dbraw/zinc/59/08/28/388590828.db2.gz LOUIHPDDEHIHOG-ZYHUDNBSSA-N 1 3 243.351 -0.179 10 0 BBAEHO C[C@H](CNC(=O)[C@@H]1C[NH2+]CCOC1)N(C)C ZINC000649306040 388590504 /nfs/dbraw/zinc/59/05/04/388590504.db2.gz WQCZFWNDCMDYCM-NXEZZACHSA-N 1 3 229.324 -0.711 10 0 BBAEHO C[C@@H](CNC(=O)[C@H]1C[NH2+]CCOC1)N(C)C ZINC000649306041 388590764 /nfs/dbraw/zinc/59/07/64/388590764.db2.gz WQCZFWNDCMDYCM-UWVGGRQHSA-N 1 3 229.324 -0.711 10 0 BBAEHO C[C@@H](CNC(=O)[C@@H]1C[NH2+]CCOC1)N(C)C ZINC000649306042 388590313 /nfs/dbraw/zinc/59/03/13/388590313.db2.gz WQCZFWNDCMDYCM-VHSXEESVSA-N 1 3 229.324 -0.711 10 0 BBAEHO C[C@H](CNC(=O)[C@H]1C[NH2+]CCOC1)N(C)C ZINC000649306043 388590782 /nfs/dbraw/zinc/59/07/82/388590782.db2.gz WQCZFWNDCMDYCM-ZJUUUORDSA-N 1 3 229.324 -0.711 10 0 BBAEHO CN(CCNC(=O)[C@H]1C[NH2+]CCOC1)C1CC1 ZINC000649307800 388593540 /nfs/dbraw/zinc/59/35/40/388593540.db2.gz MMZNMZBUYAENOO-JTQLQIEISA-N 1 3 241.335 -0.567 10 0 BBAEHO CN(CCNC(=O)[C@@H]1C[NH2+]CCOC1)C1CC1 ZINC000649307801 388593664 /nfs/dbraw/zinc/59/36/64/388593664.db2.gz MMZNMZBUYAENOO-SNVBAGLBSA-N 1 3 241.335 -0.567 10 0 BBAEHO CN(C)[C@H]1CCN(C(=O)[C@H]2C[C@H]([NH3+])C2)C1 ZINC000662787687 412302748 /nfs/dbraw/zinc/30/27/48/412302748.db2.gz BCRQVQSYCOMMKU-GUBZILKMSA-N 1 3 211.309 -0.114 10 0 BBAEHO CN(C)[C@@H]1CCN(C(=O)[C@H]2C[C@H]([NH3+])C2)C1 ZINC000662787688 412303198 /nfs/dbraw/zinc/30/31/98/412303198.db2.gz BCRQVQSYCOMMKU-OPRDCNLKSA-N 1 3 211.309 -0.114 10 0 BBAEHO C[C@@H](CCNC(=O)C1(N)CCOCC1)[NH+](C)C ZINC000662861088 412327753 /nfs/dbraw/zinc/32/77/53/412327753.db2.gz XDRCUKZNGZYMGK-JTQLQIEISA-N 1 3 243.351 -0.049 10 0 BBAEHO C[C@H](CCNC(=O)C1(N)CCOCC1)[NH+](C)C ZINC000662861089 412327716 /nfs/dbraw/zinc/32/77/16/412327716.db2.gz XDRCUKZNGZYMGK-SNVBAGLBSA-N 1 3 243.351 -0.049 10 0 BBAEHO C[N@@H+](C[C@@H](O)CNC1CC(CO)C1)C1CC1 ZINC000663374626 411641235 /nfs/dbraw/zinc/64/12/35/411641235.db2.gz MFJZFDRXZOXKSQ-CBINBANVSA-N 1 3 228.336 -0.198 10 0 BBAEHO C[N@H+](C[C@@H](O)CNC1CC(CO)C1)C1CC1 ZINC000663374626 411641233 /nfs/dbraw/zinc/64/12/33/411641233.db2.gz MFJZFDRXZOXKSQ-CBINBANVSA-N 1 3 228.336 -0.198 10 0 BBAEHO C[N@@H+](C[C@H](O)CNC1CC(CO)C1)C1CC1 ZINC000663374628 411640676 /nfs/dbraw/zinc/64/06/76/411640676.db2.gz MFJZFDRXZOXKSQ-RTYFJBAXSA-N 1 3 228.336 -0.198 10 0 BBAEHO C[N@H+](C[C@H](O)CNC1CC(CO)C1)C1CC1 ZINC000663374628 411640673 /nfs/dbraw/zinc/64/06/73/411640673.db2.gz MFJZFDRXZOXKSQ-RTYFJBAXSA-N 1 3 228.336 -0.198 10 0 BBAEHO CN(CCCNC1CC[NH2+]CC1)S(C)(=O)=O ZINC000665230054 412167790 /nfs/dbraw/zinc/16/77/90/412167790.db2.gz ICHPJZJJLPKETF-UHFFFAOYSA-N 1 3 249.380 -0.391 10 0 BBAEHO CN(CCC[NH2+]C1CCNCC1)S(C)(=O)=O ZINC000665230054 412167788 /nfs/dbraw/zinc/16/77/88/412167788.db2.gz ICHPJZJJLPKETF-UHFFFAOYSA-N 1 3 249.380 -0.391 10 0 BBAEHO CN(C)CCn1ncc2c1nc[nH+]c2NN ZINC000669377228 541436539 /nfs/dbraw/zinc/43/65/39/541436539.db2.gz KFHQHUPIWSIMCY-UHFFFAOYSA-N 1 3 221.268 -0.327 10 0 BBAEHO NCc1cncc(CN2CC[NH2+]CC2)c1 ZINC000669379006 537972784 /nfs/dbraw/zinc/97/27/84/537972784.db2.gz RZTWEBCEEMHUNG-UHFFFAOYSA-N 1 3 206.293 -0.055 10 0 BBAEHO [NH3+]C[C@@H]1CNC[C@H](CN2CCOCC2)C1 ZINC000669379211 537975984 /nfs/dbraw/zinc/97/59/84/537975984.db2.gz XLSGSZGOEUBWNK-GHMZBOCLSA-N 1 3 213.325 -0.497 10 0 BBAEHO NC[C@@H]1C[NH2+]C[C@H](CN2CCOCC2)C1 ZINC000669379211 537975981 /nfs/dbraw/zinc/97/59/81/537975981.db2.gz XLSGSZGOEUBWNK-GHMZBOCLSA-N 1 3 213.325 -0.497 10 0 BBAEHO [NH3+]C[C@@H]1CNC[C@@H](CN2CCOCC2)C1 ZINC000669379213 537976929 /nfs/dbraw/zinc/97/69/29/537976929.db2.gz XLSGSZGOEUBWNK-MNOVXSKESA-N 1 3 213.325 -0.497 10 0 BBAEHO NC[C@@H]1C[NH2+]C[C@@H](CN2CCOCC2)C1 ZINC000669379213 537976925 /nfs/dbraw/zinc/97/69/25/537976925.db2.gz XLSGSZGOEUBWNK-MNOVXSKESA-N 1 3 213.325 -0.497 10 0 BBAEHO [NH3+]C[C@H]1CNC[C@@H](CN2CCOCC2)C1 ZINC000669379214 537977364 /nfs/dbraw/zinc/97/73/64/537977364.db2.gz XLSGSZGOEUBWNK-QWRGUYRKSA-N 1 3 213.325 -0.497 10 0 BBAEHO NC[C@H]1C[NH2+]C[C@@H](CN2CCOCC2)C1 ZINC000669379214 537977358 /nfs/dbraw/zinc/97/73/58/537977358.db2.gz XLSGSZGOEUBWNK-QWRGUYRKSA-N 1 3 213.325 -0.497 10 0 BBAEHO [NH3+]C[C@H]1CNC[C@H](CN2CCOCC2)C1 ZINC000669379215 537977785 /nfs/dbraw/zinc/97/77/85/537977785.db2.gz XLSGSZGOEUBWNK-WDEREUQCSA-N 1 3 213.325 -0.497 10 0 BBAEHO NC[C@H]1C[NH2+]C[C@H](CN2CCOCC2)C1 ZINC000669379215 537977783 /nfs/dbraw/zinc/97/77/83/537977783.db2.gz XLSGSZGOEUBWNK-WDEREUQCSA-N 1 3 213.325 -0.497 10 0 BBAEHO COCCN1CCN(C[C@H]2C[C@H]([NH3+])C2)CC1 ZINC000675052954 537861231 /nfs/dbraw/zinc/86/12/31/537861231.db2.gz CNUPUXPWURLSDZ-HAQNSBGRSA-N 1 3 227.352 -0.012 10 0 BBAEHO CCOC(=O)C1CCCN(CC[NH3+])C1=O ZINC000675055998 538477229 /nfs/dbraw/zinc/47/72/29/538477229.db2.gz HKEZURBXWGXEKA-MRVPVSSYSA-N 1 3 214.265 -0.253 10 0 BBAEHO CCOC(=O)C1CCCN(CC[NH3+])C1=O ZINC000675055999 538477166 /nfs/dbraw/zinc/47/71/66/538477166.db2.gz HKEZURBXWGXEKA-QMMMGPOBSA-N 1 3 214.265 -0.253 10 0 BBAEHO Cn1ncc(CN)c1CN1CC[NH2+]CC1 ZINC000675056724 538478966 /nfs/dbraw/zinc/47/89/66/538478966.db2.gz WCDRZSZLAICCDF-UHFFFAOYSA-N 1 3 209.297 -0.716 10 0 BBAEHO C[C@@H]1C[NH2+]CCN1Cc1c(CN)cnn1C ZINC000675056866 538478715 /nfs/dbraw/zinc/47/87/15/538478715.db2.gz XKRYRKYZJALXOM-SECBINFHSA-N 1 3 223.324 -0.328 10 0 BBAEHO C[C@H]1C[NH2+]CCN1Cc1c(CN)cnn1C ZINC000675056867 538478943 /nfs/dbraw/zinc/47/89/43/538478943.db2.gz XKRYRKYZJALXOM-VIFPVBQESA-N 1 3 223.324 -0.328 10 0 BBAEHO COC(=O)[C@@]12C[C@]1(C[NH2+]C1CC1)CNC2 ZINC000675072965 538504402 /nfs/dbraw/zinc/50/44/02/538504402.db2.gz FKZYQKRJWQFEAT-MNOVXSKESA-N 1 3 210.277 -0.109 10 0 BBAEHO COC(=O)[C@]12C[C@@]1(C[NH2+]C1CC1)CNC2 ZINC000675072967 537873171 /nfs/dbraw/zinc/87/31/71/537873171.db2.gz FKZYQKRJWQFEAT-WDEREUQCSA-N 1 3 210.277 -0.109 10 0 BBAEHO COCCC[NH2+]C[C@]12C[C@@]1(C(=O)OC)CNC2 ZINC000675074074 538507068 /nfs/dbraw/zinc/50/70/68/538507068.db2.gz RDXAJVBRVZIPTC-RYUDHWBXSA-N 1 3 242.319 -0.235 10 0 BBAEHO COCCCNC[C@]12C[C@@]1(C(=O)OC)C[NH2+]C2 ZINC000675074074 538507066 /nfs/dbraw/zinc/50/70/66/538507066.db2.gz RDXAJVBRVZIPTC-RYUDHWBXSA-N 1 3 242.319 -0.235 10 0 BBAEHO COCCC[NH2+]C[C@@]12C[C@]1(C(=O)OC)CNC2 ZINC000675074077 538506857 /nfs/dbraw/zinc/50/68/57/538506857.db2.gz RDXAJVBRVZIPTC-VXGBXAGGSA-N 1 3 242.319 -0.235 10 0 BBAEHO COCCCNC[C@@]12C[C@]1(C(=O)OC)C[NH2+]C2 ZINC000675074077 538506854 /nfs/dbraw/zinc/50/68/54/538506854.db2.gz RDXAJVBRVZIPTC-VXGBXAGGSA-N 1 3 242.319 -0.235 10 0 BBAEHO C[C@@H](O)CN(C)C[C@@H]1OC(=O)CC12C[NH2+]C2 ZINC000675075055 538508054 /nfs/dbraw/zinc/50/80/54/538508054.db2.gz FQKAMAQHQQCHAM-BDAKNGLRSA-N 1 3 228.292 -0.796 10 0 BBAEHO C[C@H](O)CN(C)C[C@H]1OC(=O)CC12C[NH2+]C2 ZINC000675075056 538507938 /nfs/dbraw/zinc/50/79/38/538507938.db2.gz FQKAMAQHQQCHAM-DTWKUNHWSA-N 1 3 228.292 -0.796 10 0 BBAEHO C[C@H](O)CN(C)C[C@@H]1OC(=O)CC12C[NH2+]C2 ZINC000675075057 538507903 /nfs/dbraw/zinc/50/79/03/538507903.db2.gz FQKAMAQHQQCHAM-IUCAKERBSA-N 1 3 228.292 -0.796 10 0 BBAEHO C[C@@H](O)CN(C)C[C@H]1OC(=O)CC12C[NH2+]C2 ZINC000675075058 538507814 /nfs/dbraw/zinc/50/78/14/538507814.db2.gz FQKAMAQHQQCHAM-RKDXNWHRSA-N 1 3 228.292 -0.796 10 0 BBAEHO COCCN(C)C[C@H]1OC(=O)CC12C[NH2+]C2 ZINC000675075096 538508139 /nfs/dbraw/zinc/50/81/39/538508139.db2.gz GNBIHBMBAGMMIP-SECBINFHSA-N 1 3 228.292 -0.530 10 0 BBAEHO COCCN(C)C[C@@H]1OC(=O)CC12C[NH2+]C2 ZINC000675075103 538508293 /nfs/dbraw/zinc/50/82/93/538508293.db2.gz GNBIHBMBAGMMIP-VIFPVBQESA-N 1 3 228.292 -0.530 10 0 BBAEHO CCN(CCO)C[C@H]1OC(=O)CC12C[NH2+]C2 ZINC000675075324 538509072 /nfs/dbraw/zinc/50/90/72/538509072.db2.gz MBGITRGPBBYZER-SECBINFHSA-N 1 3 228.292 -0.794 10 0 BBAEHO CCN(CCO)C[C@@H]1OC(=O)CC12C[NH2+]C2 ZINC000675075325 538508877 /nfs/dbraw/zinc/50/88/77/538508877.db2.gz MBGITRGPBBYZER-VIFPVBQESA-N 1 3 228.292 -0.794 10 0 BBAEHO Nc1ccncc1CC1=C[C@H](O)C[NH2+]C1 ZINC000675078599 538516487 /nfs/dbraw/zinc/51/64/87/538516487.db2.gz ZLZSORUFHGSSJF-JTQLQIEISA-N 1 3 205.261 -0.073 10 0 BBAEHO Nc1ccncc1CC1=C[C@@H](O)C[NH2+]C1 ZINC000675078600 538516265 /nfs/dbraw/zinc/51/62/65/538516265.db2.gz ZLZSORUFHGSSJF-SNVBAGLBSA-N 1 3 205.261 -0.073 10 0 BBAEHO NC1(C2=[NH+]CCN2)CCN(C2CC2)CC1 ZINC000685946563 538885605 /nfs/dbraw/zinc/88/56/05/538885605.db2.gz ATDHLWGYCWYYEK-UHFFFAOYSA-N 1 3 208.309 -0.056 10 0 BBAEHO C[C@@H]1C[NH2+]CCN1[C@H]1CCNC[C@H]1F ZINC000685948464 538891253 /nfs/dbraw/zinc/89/12/53/538891253.db2.gz OOIWGHFKOFRGIB-BBBLOLIVSA-N 1 3 201.289 -0.020 10 0 BBAEHO C[C@@H]1C[NH2+]CCN1[C@@H]1CCNC[C@@H]1F ZINC000685948465 538890917 /nfs/dbraw/zinc/89/09/17/538890917.db2.gz OOIWGHFKOFRGIB-KXUCPTDWSA-N 1 3 201.289 -0.020 10 0 BBAEHO C[C@@H]1C[NH2+]CCN1[C@@H]1CCNC[C@H]1F ZINC000685948466 538890783 /nfs/dbraw/zinc/89/07/83/538890783.db2.gz OOIWGHFKOFRGIB-OPRDCNLKSA-N 1 3 201.289 -0.020 10 0 BBAEHO C[C@@H]1C[NH2+]CCN1[C@H]1CCNC[C@@H]1F ZINC000685948467 538890826 /nfs/dbraw/zinc/89/08/26/538890826.db2.gz OOIWGHFKOFRGIB-UTLUCORTSA-N 1 3 201.289 -0.020 10 0 BBAEHO Nc1nccn1C[C@H](O)C[NH+]1CCCC1 ZINC000702471632 582927234 /nfs/dbraw/zinc/92/72/34/582927234.db2.gz NINDKCCQYSLPNY-SECBINFHSA-N 1 3 210.281 -0.078 10 0 BBAEHO Nc1nccn1C[C@@H](O)C[NH+]1CCCC1 ZINC000702471635 582927335 /nfs/dbraw/zinc/92/73/35/582927335.db2.gz NINDKCCQYSLPNY-VIFPVBQESA-N 1 3 210.281 -0.078 10 0 BBAEHO CN(C)C[C@H](N)C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000705233050 712124979 /nfs/dbraw/zinc/12/49/79/712124979.db2.gz KDUCVJAORJWVDY-UWVGGRQHSA-N 1 3 228.340 -0.962 10 0 BBAEHO CN(C)C[C@H](N)C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000705233053 712124833 /nfs/dbraw/zinc/12/48/33/712124833.db2.gz KDUCVJAORJWVDY-ZJUUUORDSA-N 1 3 228.340 -0.962 10 0 BBAEHO [NH3+][C@@H]1CC[C@H]2CN(CCn3cnnn3)C[C@@H]12 ZINC000712549833 712444285 /nfs/dbraw/zinc/44/42/85/712444285.db2.gz CEWSDRLECAGVJM-IVZWLZJFSA-N 1 3 222.296 -0.658 10 0 BBAEHO [NH3+][C@@H]1CC[C@@H]2CN(CCn3cnnn3)C[C@H]12 ZINC000712549836 712444539 /nfs/dbraw/zinc/44/45/39/712444539.db2.gz CEWSDRLECAGVJM-KXUCPTDWSA-N 1 3 222.296 -0.658 10 0 BBAEHO [NH3+][C@@H]1CC[C@H]2CN(CCn3cnnn3)C[C@H]12 ZINC000712549838 712444354 /nfs/dbraw/zinc/44/43/54/712444354.db2.gz CEWSDRLECAGVJM-LPEHRKFASA-N 1 3 222.296 -0.658 10 0 BBAEHO [NH3+][C@@H]1CC[C@@H]2CN(CCn3cnnn3)C[C@@H]12 ZINC000712549840 712444438 /nfs/dbraw/zinc/44/44/38/712444438.db2.gz CEWSDRLECAGVJM-OPRDCNLKSA-N 1 3 222.296 -0.658 10 0 BBAEHO C[C@@H]1CN(CCn2cnnn2)C[C@@H]1C[NH3+] ZINC000712552383 712445032 /nfs/dbraw/zinc/44/50/32/712445032.db2.gz PADIAKIEUCTCTP-BDAKNGLRSA-N 1 3 210.285 -0.800 10 0 BBAEHO C[C@H]1CN(CCn2cnnn2)C[C@H]1C[NH3+] ZINC000712552385 712445088 /nfs/dbraw/zinc/44/50/88/712445088.db2.gz PADIAKIEUCTCTP-DTWKUNHWSA-N 1 3 210.285 -0.800 10 0 BBAEHO C[C@H]1CN(CCn2cnnn2)C[C@@H]1C[NH3+] ZINC000712552386 712444923 /nfs/dbraw/zinc/44/49/23/712444923.db2.gz PADIAKIEUCTCTP-IUCAKERBSA-N 1 3 210.285 -0.800 10 0 BBAEHO NC[C@@H]1CCC[C@H]1[NH2+]C1CC(C(N)=O)C1 ZINC000716742462 712572019 /nfs/dbraw/zinc/57/20/19/712572019.db2.gz YOPWQGKNPUELGY-AUXWQGHOSA-N 1 3 211.309 -0.033 10 0 BBAEHO NC[C@@H]1CCC[C@@H]1[NH2+]C1CC(C(N)=O)C1 ZINC000716742463 712572054 /nfs/dbraw/zinc/57/20/54/712572054.db2.gz YOPWQGKNPUELGY-NFTFJBJSSA-N 1 3 211.309 -0.033 10 0 BBAEHO NC[C@H]1CCC[C@H]1[NH2+]C1CC(C(N)=O)C1 ZINC000716742464 712572178 /nfs/dbraw/zinc/57/21/78/712572178.db2.gz YOPWQGKNPUELGY-SEZDTBSWSA-N 1 3 211.309 -0.033 10 0 BBAEHO NC[C@H]1CCC[C@@H]1[NH2+]C1CC(C(N)=O)C1 ZINC000716742465 712571839 /nfs/dbraw/zinc/57/18/39/712571839.db2.gz YOPWQGKNPUELGY-WOOKNIGNSA-N 1 3 211.309 -0.033 10 0 BBAEHO NC(=O)C1CC(NC[C@H](O)C[NH+]2CCCC2)C1 ZINC000716758668 712572552 /nfs/dbraw/zinc/57/25/52/712572552.db2.gz CDHFIYMZTWACHW-ILDUYXDCSA-N 1 3 241.335 -0.703 10 0 BBAEHO NC(=O)C1CC(NC[C@@H](O)C[NH+]2CCCC2)C1 ZINC000716758669 712572610 /nfs/dbraw/zinc/57/26/10/712572610.db2.gz CDHFIYMZTWACHW-VQXHTEKXSA-N 1 3 241.335 -0.703 10 0 BBAEHO Cn1nccc1-c1c(CN)nnn1CC[NH+](C)C ZINC000725257571 538064856 /nfs/dbraw/zinc/06/48/56/538064856.db2.gz RKIOUPRJFVXBLL-UHFFFAOYSA-N 1 3 249.322 -0.301 10 0 BBAEHO O=C(Nc1ccnn1C1CNC1)[C@@]12C[C@@H]1C[NH2+]C2 ZINC000725257949 538069369 /nfs/dbraw/zinc/06/93/69/538069369.db2.gz APLMJDJRYAQVRP-PRHODGIISA-N 1 3 247.302 -0.425 10 0 BBAEHO O=C(Nc1ccnn1C1CNC1)[C@]12C[C@H]1C[NH2+]C2 ZINC000725257951 538070345 /nfs/dbraw/zinc/07/03/45/538070345.db2.gz APLMJDJRYAQVRP-UFBFGSQYSA-N 1 3 247.302 -0.425 10 0 BBAEHO C[C@H]1[NH2+]CC[C@H]1C(=O)Nc1ccnn1C1CNC1 ZINC000725257967 538069152 /nfs/dbraw/zinc/06/91/52/538069152.db2.gz BJRDSHFXSZIDHO-PSASIEDQSA-N 1 3 249.318 -0.036 10 0 BBAEHO C[C@H]1[NH2+]CC[C@@H]1C(=O)Nc1ccnn1C1CNC1 ZINC000725257968 538070273 /nfs/dbraw/zinc/07/02/73/538070273.db2.gz BJRDSHFXSZIDHO-SCZZXKLOSA-N 1 3 249.318 -0.036 10 0 BBAEHO C[C@@H]1[NH2+]CC[C@H]1C(=O)Nc1ccnn1C1CNC1 ZINC000725257969 538069134 /nfs/dbraw/zinc/06/91/34/538069134.db2.gz BJRDSHFXSZIDHO-WCBMZHEXSA-N 1 3 249.318 -0.036 10 0 BBAEHO C[C@@H]1[NH2+]CC[C@@H]1C(=O)Nc1ccnn1C1CNC1 ZINC000725257970 538070086 /nfs/dbraw/zinc/07/00/86/538070086.db2.gz BJRDSHFXSZIDHO-WPRPVWTQSA-N 1 3 249.318 -0.036 10 0 BBAEHO C[C@@]1(C(=O)Nc2ccnn2C2CNC2)CC[NH2+]C1 ZINC000725257973 538070066 /nfs/dbraw/zinc/07/00/66/538070066.db2.gz BLNORNNICWEZNH-GFCCVEGCSA-N 1 3 249.318 -0.035 10 0 BBAEHO C[C@]1(C(=O)Nc2ccnn2C2CNC2)CC[NH2+]C1 ZINC000725257974 538069699 /nfs/dbraw/zinc/06/96/99/538069699.db2.gz BLNORNNICWEZNH-LBPRGKRZSA-N 1 3 249.318 -0.035 10 0 BBAEHO CCCNCC(=O)Nc1ccnn1C1C[NH2+]C1 ZINC000725258005 538070890 /nfs/dbraw/zinc/07/08/90/538070890.db2.gz CQDZFWBRWARPBH-UHFFFAOYSA-N 1 3 237.307 -0.035 10 0 BBAEHO C[C@H]1CC[NH2+][C@H]1C(=O)Nc1ccnn1C1CNC1 ZINC000725258024 538070931 /nfs/dbraw/zinc/07/09/31/538070931.db2.gz DELVJLSBQJGHSE-GZMMTYOYSA-N 1 3 249.318 -0.036 10 0 BBAEHO C[C@@H]1CC[NH2+][C@@H]1C(=O)Nc1ccnn1C1CNC1 ZINC000725258025 538071030 /nfs/dbraw/zinc/07/10/30/538071030.db2.gz DELVJLSBQJGHSE-KCJUWKMLSA-N 1 3 249.318 -0.036 10 0 BBAEHO C[C@H]1CC[NH2+][C@@H]1C(=O)Nc1ccnn1C1CNC1 ZINC000725258026 538071057 /nfs/dbraw/zinc/07/10/57/538071057.db2.gz DELVJLSBQJGHSE-KWQFWETISA-N 1 3 249.318 -0.036 10 0 BBAEHO C[C@@H]1CC[NH2+][C@H]1C(=O)Nc1ccnn1C1CNC1 ZINC000725258027 538070907 /nfs/dbraw/zinc/07/09/07/538070907.db2.gz DELVJLSBQJGHSE-LDYMZIIASA-N 1 3 249.318 -0.036 10 0 BBAEHO O=C(C[C@H]1CC[NH2+]C1)Nc1ccnn1C1CNC1 ZINC000725258029 538071019 /nfs/dbraw/zinc/07/10/19/538071019.db2.gz DFPKITPQKWGUKU-SECBINFHSA-N 1 3 249.318 -0.035 10 0 BBAEHO O=C(CC1C[NH2+]C1)Nc1ccnn1C1CNC1 ZINC000725258044 538071046 /nfs/dbraw/zinc/07/10/46/538071046.db2.gz DNVLZQDVWXWIHY-UHFFFAOYSA-N 1 3 235.291 -0.425 10 0 BBAEHO O=C(Nc1ccnn1C1CNC1)C1=CC[NH2+]CC1 ZINC000725258053 566303934 /nfs/dbraw/zinc/30/39/34/566303934.db2.gz DRJKKNGOZIXAOE-UHFFFAOYSA-N 1 3 247.302 -0.114 10 0 BBAEHO C[C@H](CC[NH3+])C(=O)Nc1ccnn1C1CNC1 ZINC000725258063 566303582 /nfs/dbraw/zinc/30/35/82/566303582.db2.gz FCPUEFSYFYACFK-MRVPVSSYSA-N 1 3 237.307 -0.049 10 0 BBAEHO C[C@@H](CC[NH3+])C(=O)Nc1ccnn1C1CNC1 ZINC000725258064 566303845 /nfs/dbraw/zinc/30/38/45/566303845.db2.gz FCPUEFSYFYACFK-QMMMGPOBSA-N 1 3 237.307 -0.049 10 0 BBAEHO C[C@@H]1C[NH2+]C[C@H]1C(=O)Nc1ccnn1C1CNC1 ZINC000725258111 582789008 /nfs/dbraw/zinc/78/90/08/582789008.db2.gz GWZPCIXRPAXFOP-PSASIEDQSA-N 1 3 249.318 -0.179 10 0 BBAEHO C[C@@H]1C[NH2+]C[C@@H]1C(=O)Nc1ccnn1C1CNC1 ZINC000725258112 582789162 /nfs/dbraw/zinc/78/91/62/582789162.db2.gz GWZPCIXRPAXFOP-SCZZXKLOSA-N 1 3 249.318 -0.179 10 0 BBAEHO C[C@H]1C[NH2+]C[C@H]1C(=O)Nc1ccnn1C1CNC1 ZINC000725258113 582789100 /nfs/dbraw/zinc/78/91/00/582789100.db2.gz GWZPCIXRPAXFOP-WCBMZHEXSA-N 1 3 249.318 -0.179 10 0 BBAEHO C[C@H]1C[NH2+]C[C@@H]1C(=O)Nc1ccnn1C1CNC1 ZINC000725258114 582788889 /nfs/dbraw/zinc/78/88/89/582788889.db2.gz GWZPCIXRPAXFOP-WPRPVWTQSA-N 1 3 249.318 -0.179 10 0 BBAEHO CC[C@H](C[NH3+])C(=O)Nc1ccnn1C1CNC1 ZINC000725258133 538071782 /nfs/dbraw/zinc/07/17/82/538071782.db2.gz HUKCWTUFTPOZTK-MRVPVSSYSA-N 1 3 237.307 -0.049 10 0 BBAEHO CC[C@@H](C[NH3+])C(=O)Nc1ccnn1C1CNC1 ZINC000725258134 538071687 /nfs/dbraw/zinc/07/16/87/538071687.db2.gz HUKCWTUFTPOZTK-QMMMGPOBSA-N 1 3 237.307 -0.049 10 0 BBAEHO C/C(=C\C[NH3+])C(=O)Nc1ccnn1C1CNC1 ZINC000725258140 538072046 /nfs/dbraw/zinc/07/20/46/538072046.db2.gz IHBKVDYHIVEHJL-KRXBUXKQSA-N 1 3 235.291 -0.129 10 0 BBAEHO CC(C)NCC(=O)Nc1ccnn1C1C[NH2+]C1 ZINC000725258146 538072068 /nfs/dbraw/zinc/07/20/68/538072068.db2.gz IMTGJKZIFVXPQS-UHFFFAOYSA-N 1 3 237.307 -0.036 10 0 BBAEHO C[C@@H](C[NH3+])CC(=O)Nc1ccnn1C1CNC1 ZINC000725258203 566304783 /nfs/dbraw/zinc/30/47/83/566304783.db2.gz KOZQWLPIYKUYEI-MRVPVSSYSA-N 1 3 237.307 -0.049 10 0 BBAEHO C[C@H](C[NH3+])CC(=O)Nc1ccnn1C1CNC1 ZINC000725258204 566304762 /nfs/dbraw/zinc/30/47/62/566304762.db2.gz KOZQWLPIYKUYEI-QMMMGPOBSA-N 1 3 237.307 -0.049 10 0 BBAEHO O=C(Nc1ccnn1C1CNC1)[C@H]1CCC[NH2+]1 ZINC000725258304 538072609 /nfs/dbraw/zinc/07/26/09/538072609.db2.gz NSTIVTPDVYGTLJ-SECBINFHSA-N 1 3 235.291 -0.282 10 0 BBAEHO O=C(Nc1ccnn1C1CNC1)[C@@H]1CCC[NH2+]1 ZINC000725258305 538072637 /nfs/dbraw/zinc/07/26/37/538072637.db2.gz NSTIVTPDVYGTLJ-VIFPVBQESA-N 1 3 235.291 -0.282 10 0 BBAEHO C[NH2+]CCCC(=O)Nc1ccnn1C1CNC1 ZINC000725258322 538072668 /nfs/dbraw/zinc/07/26/68/538072668.db2.gz OJINBTFOQFIYQS-UHFFFAOYSA-N 1 3 237.307 -0.035 10 0 BBAEHO C[NH2+][C@H]1C[C@@H](C(=O)Nc2ccnn2C2CNC2)C1 ZINC000725258468 538075425 /nfs/dbraw/zinc/07/54/25/538075425.db2.gz PZLDZTVTZUPXHY-DTORHVGOSA-N 1 3 249.318 -0.036 10 0 BBAEHO C[NH2+]C1CC(C(=O)Nc2ccnn2C2CNC2)C1 ZINC000725258469 538074748 /nfs/dbraw/zinc/07/47/48/538074748.db2.gz PZLDZTVTZUPXHY-UHFFFAOYSA-N 1 3 249.318 -0.036 10 0 BBAEHO NC1(C(=O)Nc2ccnn2C2C[NH2+]C2)CCC1 ZINC000725258505 538075329 /nfs/dbraw/zinc/07/53/29/538075329.db2.gz QVDSTFGIMBLTRV-UHFFFAOYSA-N 1 3 235.291 -0.153 10 0 BBAEHO C[C@@H]([NH3+])[C@@H](C)C(=O)Nc1ccnn1C1CNC1 ZINC000725258511 538075359 /nfs/dbraw/zinc/07/53/59/538075359.db2.gz RAGNACVIATTWSK-HTQZYQBOSA-N 1 3 237.307 -0.051 10 0 BBAEHO C[C@@H]([NH3+])[C@H](C)C(=O)Nc1ccnn1C1CNC1 ZINC000725258512 538075069 /nfs/dbraw/zinc/07/50/69/538075069.db2.gz RAGNACVIATTWSK-JGVFFNPUSA-N 1 3 237.307 -0.051 10 0 BBAEHO C[C@@H](C(=O)Nc1ccnn1C1CNC1)[C@H](C)[NH3+] ZINC000725258513 538074863 /nfs/dbraw/zinc/07/48/63/538074863.db2.gz RAGNACVIATTWSK-SFYZADRCSA-N 1 3 237.307 -0.051 10 0 BBAEHO C[C@H]([NH3+])[C@H](C)C(=O)Nc1ccnn1C1CNC1 ZINC000725258514 538075278 /nfs/dbraw/zinc/07/52/78/538075278.db2.gz RAGNACVIATTWSK-YUMQZZPRSA-N 1 3 237.307 -0.051 10 0 BBAEHO N[C@H](C(=O)Nc1ccnn1C1C[NH2+]C1)C1CC1 ZINC000725258520 538076053 /nfs/dbraw/zinc/07/60/53/538076053.db2.gz RFGOLTFVWNUJBQ-JTQLQIEISA-N 1 3 235.291 -0.297 10 0 BBAEHO N[C@@H](C(=O)Nc1ccnn1C1C[NH2+]C1)C1CC1 ZINC000725258521 538076406 /nfs/dbraw/zinc/07/64/06/538076406.db2.gz RFGOLTFVWNUJBQ-SNVBAGLBSA-N 1 3 235.291 -0.297 10 0 BBAEHO CC1(C(=O)Nc2ccnn2C2CNC2)C[NH2+]C1 ZINC000725258536 538076492 /nfs/dbraw/zinc/07/64/92/538076492.db2.gz RPSUWOAPESRCNQ-UHFFFAOYSA-N 1 3 235.291 -0.425 10 0 BBAEHO CC[C@@H](NC)C(=O)Nc1ccnn1C1C[NH2+]C1 ZINC000725258550 538076139 /nfs/dbraw/zinc/07/61/39/538076139.db2.gz SDHPGTAFPPOLEV-SECBINFHSA-N 1 3 237.307 -0.036 10 0 BBAEHO CC[C@H](NC)C(=O)Nc1ccnn1C1C[NH2+]C1 ZINC000725258551 538076290 /nfs/dbraw/zinc/07/62/90/538076290.db2.gz SDHPGTAFPPOLEV-VIFPVBQESA-N 1 3 237.307 -0.036 10 0 BBAEHO O=C(Nc1ccnn1C1CNC1)C12CC(C1)C[NH2+]2 ZINC000725258563 538076039 /nfs/dbraw/zinc/07/60/39/538076039.db2.gz SLHSRGSPJNEZIN-UHFFFAOYSA-N 1 3 247.302 -0.282 10 0 BBAEHO [NH3+][C@H]1C[C@@H](C(=O)Nc2ccnn2C2CNC2)C1 ZINC000725258566 538076156 /nfs/dbraw/zinc/07/61/56/538076156.db2.gz STEYFAOWDSIIBM-OCAPTIKFSA-N 1 3 235.291 -0.297 10 0 BBAEHO [NH3+]C1CC(C(=O)Nc2ccnn2C2CNC2)C1 ZINC000725258567 538076524 /nfs/dbraw/zinc/07/65/24/538076524.db2.gz STEYFAOWDSIIBM-UHFFFAOYSA-N 1 3 235.291 -0.297 10 0 BBAEHO [NH3+][C@H]1C[C@H](C(=O)Nc2ccnn2C2CNC2)C1 ZINC000725258568 538076590 /nfs/dbraw/zinc/07/65/90/538076590.db2.gz STEYFAOWDSIIBM-ZKCHVHJHSA-N 1 3 235.291 -0.297 10 0 BBAEHO O=C(Nc1ccnn1C1CNC1)[C@@H]1CC[NH2+]C1 ZINC000725258613 538076264 /nfs/dbraw/zinc/07/62/64/538076264.db2.gz VEFWREFBDUIFMC-MRVPVSSYSA-N 1 3 235.291 -0.425 10 0 BBAEHO O=C(Nc1ccnn1C1CNC1)[C@H]1CC[NH2+]C1 ZINC000725258614 538076460 /nfs/dbraw/zinc/07/64/60/538076460.db2.gz VEFWREFBDUIFMC-QMMMGPOBSA-N 1 3 235.291 -0.425 10 0 BBAEHO O=C(CNC1CC1)Nc1ccnn1C1C[NH2+]C1 ZINC000725258615 538076673 /nfs/dbraw/zinc/07/66/73/538076673.db2.gz VGFZLZPBDKTIBP-UHFFFAOYSA-N 1 3 235.291 -0.282 10 0 BBAEHO [NH3+]C1(CC(=O)Nc2ccnn2C2CNC2)CC1 ZINC000725258657 538076731 /nfs/dbraw/zinc/07/67/31/538076731.db2.gz WEFNYQXCLIXSKG-UHFFFAOYSA-N 1 3 235.291 -0.153 10 0 BBAEHO O=C(Nc1ccnn1C1CNC1)[C@H]1CC[NH2+]1 ZINC000725258673 538076713 /nfs/dbraw/zinc/07/67/13/538076713.db2.gz WYTSAFKOALDJJF-MRVPVSSYSA-N 1 3 221.264 -0.672 10 0 BBAEHO O=C(Nc1ccnn1C1CNC1)[C@@H]1CC[NH2+]1 ZINC000725258674 538076655 /nfs/dbraw/zinc/07/66/55/538076655.db2.gz WYTSAFKOALDJJF-QMMMGPOBSA-N 1 3 221.264 -0.672 10 0 BBAEHO C[NH2+]C[C@@H](C)C(=O)Nc1ccnn1C1CNC1 ZINC000725258683 538078246 /nfs/dbraw/zinc/07/82/46/538078246.db2.gz XFYJBKPUDSYXJL-MRVPVSSYSA-N 1 3 237.307 -0.179 10 0 BBAEHO C[NH2+]C[C@H](C)C(=O)Nc1ccnn1C1CNC1 ZINC000725258684 538078099 /nfs/dbraw/zinc/07/80/99/538078099.db2.gz XFYJBKPUDSYXJL-QMMMGPOBSA-N 1 3 237.307 -0.179 10 0 BBAEHO [NH3+]CC1(C(=O)Nc2ccnn2C2CNC2)CC1 ZINC000725258704 538075768 /nfs/dbraw/zinc/07/57/68/538075768.db2.gz XPLHVHBAMDLSJN-UHFFFAOYSA-N 1 3 235.291 -0.295 10 0 BBAEHO c1cc(NC[C@@H]2CNCCO2)n(C2C[NH2+]C2)n1 ZINC000725258707 538076921 /nfs/dbraw/zinc/07/69/21/538076921.db2.gz XRUMPUXIKMVBHQ-JTQLQIEISA-N 1 3 237.307 -0.572 10 0 BBAEHO c1cc(NC[C@H]2CNCCO2)n(C2C[NH2+]C2)n1 ZINC000725258708 538077077 /nfs/dbraw/zinc/07/70/77/538077077.db2.gz XRUMPUXIKMVBHQ-SNVBAGLBSA-N 1 3 237.307 -0.572 10 0 BBAEHO CC(C)(C[NH3+])C(=O)Nc1ccnn1C1CNC1 ZINC000725258724 538077756 /nfs/dbraw/zinc/07/77/56/538077756.db2.gz YERWGMOMPYRFRI-UHFFFAOYSA-N 1 3 237.307 -0.049 10 0 BBAEHO O=C(Nc1ccnn1C1CNC1)[C@@H]1CCC[NH2+]C1 ZINC000725258727 538077653 /nfs/dbraw/zinc/07/76/53/538077653.db2.gz YHAZBBGPDYROAM-SECBINFHSA-N 1 3 249.318 -0.035 10 0 BBAEHO O=C(Nc1ccnn1C1CNC1)[C@H]1CCC[NH2+]C1 ZINC000725258728 538077424 /nfs/dbraw/zinc/07/74/24/538077424.db2.gz YHAZBBGPDYROAM-VIFPVBQESA-N 1 3 249.318 -0.035 10 0 BBAEHO CC(C)[C@H](N)C(=O)Nc1ccnn1C1C[NH2+]C1 ZINC000725258729 538076844 /nfs/dbraw/zinc/07/68/44/538076844.db2.gz YJOPAASRSHMMJA-JTQLQIEISA-N 1 3 237.307 -0.051 10 0 BBAEHO CC(C)[C@@H](N)C(=O)Nc1ccnn1C1C[NH2+]C1 ZINC000725258730 538078206 /nfs/dbraw/zinc/07/82/06/538078206.db2.gz YJOPAASRSHMMJA-SNVBAGLBSA-N 1 3 237.307 -0.051 10 0 BBAEHO C[C@H](C[NH3+])C(=O)Nc1ccnn1C1CNC1 ZINC000725258803 538078140 /nfs/dbraw/zinc/07/81/40/538078140.db2.gz BRJQDPFFCGZBAA-SSDOTTSWSA-N 1 3 223.280 -0.439 10 0 BBAEHO C[C@@H](C[NH3+])C(=O)Nc1ccnn1C1CNC1 ZINC000725258804 538077602 /nfs/dbraw/zinc/07/76/02/538077602.db2.gz BRJQDPFFCGZBAA-ZETCQYMHSA-N 1 3 223.280 -0.439 10 0 BBAEHO [NH3+][C@@H]1C[C@H]1C(=O)Nc1ccnn1C1CNC1 ZINC000725258806 538078191 /nfs/dbraw/zinc/07/81/91/538078191.db2.gz BVDADFUEHKPHQW-HTQZYQBOSA-N 1 3 221.264 -0.687 10 0 BBAEHO [NH3+][C@@H]1C[C@@H]1C(=O)Nc1ccnn1C1CNC1 ZINC000725258807 538078314 /nfs/dbraw/zinc/07/83/14/538078314.db2.gz BVDADFUEHKPHQW-JGVFFNPUSA-N 1 3 221.264 -0.687 10 0 BBAEHO [NH3+][C@H]1C[C@H]1C(=O)Nc1ccnn1C1CNC1 ZINC000725258808 538077925 /nfs/dbraw/zinc/07/79/25/538077925.db2.gz BVDADFUEHKPHQW-SFYZADRCSA-N 1 3 221.264 -0.687 10 0 BBAEHO [NH3+][C@H]1C[C@@H]1C(=O)Nc1ccnn1C1CNC1 ZINC000725258809 538077269 /nfs/dbraw/zinc/07/72/69/538077269.db2.gz BVDADFUEHKPHQW-YUMQZZPRSA-N 1 3 221.264 -0.687 10 0 BBAEHO CCNCC(=O)Nc1ccnn1C1C[NH2+]C1 ZINC000725258810 538077476 /nfs/dbraw/zinc/07/74/76/538077476.db2.gz BVSDBXJNFYSWNJ-UHFFFAOYSA-N 1 3 223.280 -0.425 10 0 BBAEHO NC1(C(=O)Nc2ccnn2C2C[NH2+]C2)CC1 ZINC000725258811 538077904 /nfs/dbraw/zinc/07/79/04/538077904.db2.gz CDCGHERIOIIIMU-UHFFFAOYSA-N 1 3 221.264 -0.543 10 0 BBAEHO [NH3+]CCCC(=O)Nc1ccnn1C1CNC1 ZINC000725258814 538077057 /nfs/dbraw/zinc/07/70/57/538077057.db2.gz CNJOUNGFUIVDJT-UHFFFAOYSA-N 1 3 223.280 -0.295 10 0 BBAEHO [NH3+][C@H]1C=C[C@@H](C(=O)Nc2ccnn2C2CNC2)C1 ZINC000725258815 538077033 /nfs/dbraw/zinc/07/70/33/538077033.db2.gz COEOUIWNZJNKEI-BDAKNGLRSA-N 1 3 247.302 -0.131 10 0 BBAEHO [NH3+][C@@H]1C=C[C@H](C(=O)Nc2ccnn2C2CNC2)C1 ZINC000725258816 538077441 /nfs/dbraw/zinc/07/74/41/538077441.db2.gz COEOUIWNZJNKEI-DTWKUNHWSA-N 1 3 247.302 -0.131 10 0 BBAEHO [NH3+][C@H]1C=C[C@H](C(=O)Nc2ccnn2C2CNC2)C1 ZINC000725258817 538078339 /nfs/dbraw/zinc/07/83/39/538078339.db2.gz COEOUIWNZJNKEI-IUCAKERBSA-N 1 3 247.302 -0.131 10 0 BBAEHO [NH3+][C@@H]1C=C[C@@H](C(=O)Nc2ccnn2C2CNC2)C1 ZINC000725258818 538077850 /nfs/dbraw/zinc/07/78/50/538077850.db2.gz COEOUIWNZJNKEI-RKDXNWHRSA-N 1 3 247.302 -0.131 10 0 BBAEHO O=C(C[NH2+]CC1CC1)Nc1ccnn1C1CNC1 ZINC000725258820 538078169 /nfs/dbraw/zinc/07/81/69/538078169.db2.gz DDIXPWMILABYAG-UHFFFAOYSA-N 1 3 249.318 -0.035 10 0 BBAEHO C[NH2+]CCC(=O)Nc1ccnn1C1CNC1 ZINC000725258870 538077142 /nfs/dbraw/zinc/07/71/42/538077142.db2.gz HPWMHYTYCXZKKS-UHFFFAOYSA-N 1 3 223.280 -0.425 10 0 BBAEHO O=C(Nc1ccnn1C1CNC1)C1C[NH2+]C1 ZINC000725258890 538077179 /nfs/dbraw/zinc/07/71/79/538077179.db2.gz JCYJKCWSVWIYNF-UHFFFAOYSA-N 1 3 221.264 -0.815 10 0 BBAEHO CNC(C)(C)C(=O)Nc1ccnn1C1C[NH2+]C1 ZINC000725258897 538078086 /nfs/dbraw/zinc/07/80/86/538078086.db2.gz JGVKFQMUOSALBU-UHFFFAOYSA-N 1 3 237.307 -0.036 10 0 BBAEHO CN[C@H](C)C(=O)Nc1ccnn1C1C[NH2+]C1 ZINC000725258938 538078132 /nfs/dbraw/zinc/07/81/32/538078132.db2.gz JZTCQLXUNWIQRY-SSDOTTSWSA-N 1 3 223.280 -0.426 10 0 BBAEHO CN[C@@H](C)C(=O)Nc1ccnn1C1C[NH2+]C1 ZINC000725258940 538077134 /nfs/dbraw/zinc/07/71/34/538077134.db2.gz JZTCQLXUNWIQRY-ZETCQYMHSA-N 1 3 223.280 -0.426 10 0 BBAEHO C[C@@H]([NH3+])CC(=O)Nc1ccnn1C1CNC1 ZINC000725258941 538077832 /nfs/dbraw/zinc/07/78/32/538077832.db2.gz KCUCSJFQUFWZIS-SSDOTTSWSA-N 1 3 223.280 -0.297 10 0 BBAEHO C[C@H]([NH3+])CC(=O)Nc1ccnn1C1CNC1 ZINC000725258944 538076963 /nfs/dbraw/zinc/07/69/63/538076963.db2.gz KCUCSJFQUFWZIS-ZETCQYMHSA-N 1 3 223.280 -0.297 10 0 BBAEHO [NH3+]CCC(=O)Nc1ccnn1C1CNC1 ZINC000725259188 582798054 /nfs/dbraw/zinc/79/80/54/582798054.db2.gz LQXQIAFNPYHTTO-UHFFFAOYSA-N 1 3 209.253 -0.685 10 0 BBAEHO O=C(Nc1ccnn1C1CNC1)C1CC[NH2+]CC1 ZINC000725259189 582798809 /nfs/dbraw/zinc/79/88/09/582798809.db2.gz LVMQUSQEMVOSLO-UHFFFAOYSA-N 1 3 249.318 -0.035 10 0 BBAEHO CC[NH2+]CCC(=O)Nc1ccnn1C1CNC1 ZINC000725259199 582798679 /nfs/dbraw/zinc/79/86/79/582798679.db2.gz NAJRMQVSBYPYHX-UHFFFAOYSA-N 1 3 237.307 -0.035 10 0 BBAEHO CNCC(=O)Nc1ccnn1C1C[NH2+]C1 ZINC000725259207 582798551 /nfs/dbraw/zinc/79/85/51/582798551.db2.gz NLHRGLIYXFSOCC-UHFFFAOYSA-N 1 3 209.253 -0.815 10 0 BBAEHO C[C@H](N)C(=O)Nc1ccnn1C1C[NH2+]C1 ZINC000725259219 582798730 /nfs/dbraw/zinc/79/87/30/582798730.db2.gz PPQUYGSPRAOJPO-LURJTMIESA-N 1 3 209.253 -0.687 10 0 BBAEHO C[C@@H](N)C(=O)Nc1ccnn1C1C[NH2+]C1 ZINC000725259220 582798643 /nfs/dbraw/zinc/79/86/43/582798643.db2.gz PPQUYGSPRAOJPO-ZCFIWIBFSA-N 1 3 209.253 -0.687 10 0 BBAEHO [NH3+]C/C=C/C(=O)Nc1ccnn1C1CNC1 ZINC000725259234 538079507 /nfs/dbraw/zinc/07/95/07/538079507.db2.gz RZYUJYPMPRYSBY-OWOJBTEDSA-N 1 3 221.264 -0.519 10 0 BBAEHO CC[C@@H](N)C(=O)Nc1ccnn1C1C[NH2+]C1 ZINC000725259239 538079583 /nfs/dbraw/zinc/07/95/83/538079583.db2.gz SBFYSTNJPRHECP-MRVPVSSYSA-N 1 3 223.280 -0.297 10 0 BBAEHO CC[C@H](N)C(=O)Nc1ccnn1C1C[NH2+]C1 ZINC000725259241 538079566 /nfs/dbraw/zinc/07/95/66/538079566.db2.gz SBFYSTNJPRHECP-QMMMGPOBSA-N 1 3 223.280 -0.297 10 0 BBAEHO CC(C)(N)C(=O)Nc1ccnn1C1C[NH2+]C1 ZINC000725259264 566305977 /nfs/dbraw/zinc/30/59/77/566305977.db2.gz SWPPNGNEDPABQK-UHFFFAOYSA-N 1 3 223.280 -0.297 10 0 BBAEHO CCC1(C(=O)Nc2ccnn2C2CNC2)C[NH2+]C1 ZINC000725259283 566305685 /nfs/dbraw/zinc/30/56/85/566305685.db2.gz VANRQSQVRDLTCW-UHFFFAOYSA-N 1 3 249.318 -0.035 10 0 BBAEHO C[C@@H](C(=O)Nc1ccnn1C1CNC1)C1C[NH2+]C1 ZINC000725259290 582800379 /nfs/dbraw/zinc/80/03/79/582800379.db2.gz VGPFATPKYSUPGM-MRVPVSSYSA-N 1 3 249.318 -0.179 10 0 BBAEHO C[C@H](C(=O)Nc1ccnn1C1CNC1)C1C[NH2+]C1 ZINC000725259294 582800965 /nfs/dbraw/zinc/80/09/65/582800965.db2.gz VGPFATPKYSUPGM-QMMMGPOBSA-N 1 3 249.318 -0.179 10 0 BBAEHO CC(C(=O)Nc1ccnn1C1CNC1)=C1C[NH2+]C1 ZINC000725259322 566306270 /nfs/dbraw/zinc/30/62/70/566306270.db2.gz WFWISOONKZTTHP-UHFFFAOYSA-N 1 3 247.302 -0.114 10 0 BBAEHO [NH3+]C[C@H](C(=O)Nc1ccnn1C1CNC1)C1CC1 ZINC000725259531 541333556 /nfs/dbraw/zinc/33/35/56/541333556.db2.gz DHBSCGFNGSNQNH-JTQLQIEISA-N 1 3 249.318 -0.049 10 0 BBAEHO [NH3+]C[C@@H](C(=O)Nc1ccnn1C1CNC1)C1CC1 ZINC000725259532 541333806 /nfs/dbraw/zinc/33/38/06/541333806.db2.gz DHBSCGFNGSNQNH-SNVBAGLBSA-N 1 3 249.318 -0.049 10 0 BBAEHO O=C(Nc1ccnn1C1CNC1)[C@@H]1[C@H]2C[C@@H]1[NH2+]C2 ZINC000725259664 582803001 /nfs/dbraw/zinc/80/30/01/582803001.db2.gz GDJMLWXPJCSUDE-OVYXKVPISA-N 1 3 247.302 -0.426 10 0 BBAEHO CNC1(C(=O)Nc2ccnn2C2C[NH2+]C2)CC1 ZINC000725259749 538080717 /nfs/dbraw/zinc/08/07/17/538080717.db2.gz HSOQQGCHAQTVSG-UHFFFAOYSA-N 1 3 235.291 -0.282 10 0 BBAEHO CCN[C@H](C)C(=O)Nc1ccnn1C1C[NH2+]C1 ZINC000725259919 582804305 /nfs/dbraw/zinc/80/43/05/582804305.db2.gz KRYCMGBAQNYZFI-MRVPVSSYSA-N 1 3 237.307 -0.036 10 0 BBAEHO CCN[C@@H](C)C(=O)Nc1ccnn1C1C[NH2+]C1 ZINC000725259921 582804241 /nfs/dbraw/zinc/80/42/41/582804241.db2.gz KRYCMGBAQNYZFI-QMMMGPOBSA-N 1 3 237.307 -0.036 10 0 BBAEHO O=C(Nc1ccnn1C1CNC1)[C@@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000725260018 538081468 /nfs/dbraw/zinc/08/14/68/538081468.db2.gz MESHOKBJUXQBCG-DOFRTFSJSA-N 1 3 247.302 -0.569 10 0 BBAEHO O=C(Nc1ccnn1C1CNC1)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000725260020 538081481 /nfs/dbraw/zinc/08/14/81/538081481.db2.gz MESHOKBJUXQBCG-JZYVYDRUSA-N 1 3 247.302 -0.569 10 0 BBAEHO [NH3+]C[C@H]1C[C@@H]1C(=O)Nc1ccnn1C1CNC1 ZINC000725260226 541334548 /nfs/dbraw/zinc/33/45/48/541334548.db2.gz PKZSDUISYJWJSV-APPZFPTMSA-N 1 3 235.291 -0.439 10 0 BBAEHO [NH3+]C[C@@H]1C[C@@H]1C(=O)Nc1ccnn1C1CNC1 ZINC000725260227 541334680 /nfs/dbraw/zinc/33/46/80/541334680.db2.gz PKZSDUISYJWJSV-CBAPKCEASA-N 1 3 235.291 -0.439 10 0 BBAEHO [NH3+]C[C@@H]1C[C@H]1C(=O)Nc1ccnn1C1CNC1 ZINC000725260228 541334611 /nfs/dbraw/zinc/33/46/11/541334611.db2.gz PKZSDUISYJWJSV-IONNQARKSA-N 1 3 235.291 -0.439 10 0 BBAEHO [NH3+]C[C@H]1C[C@H]1C(=O)Nc1ccnn1C1CNC1 ZINC000725260230 541334412 /nfs/dbraw/zinc/33/44/12/541334412.db2.gz PKZSDUISYJWJSV-VXNVDRBHSA-N 1 3 235.291 -0.439 10 0 BBAEHO O=C(CCC1C[NH2+]C1)Nc1ccnn1C1CNC1 ZINC000725260672 538083256 /nfs/dbraw/zinc/08/32/56/538083256.db2.gz XVWPTUDFWOALRR-UHFFFAOYSA-N 1 3 249.318 -0.035 10 0 BBAEHO CC1(C)CN[C@H]1C(=O)Nc1ccnn1C1C[NH2+]C1 ZINC000725260754 538083994 /nfs/dbraw/zinc/08/39/94/538083994.db2.gz ZFQONGVJIDXTOU-JTQLQIEISA-N 1 3 249.318 -0.036 10 0 BBAEHO CC1(C)CN[C@@H]1C(=O)Nc1ccnn1C1C[NH2+]C1 ZINC000725260756 538084123 /nfs/dbraw/zinc/08/41/23/538084123.db2.gz ZFQONGVJIDXTOU-SNVBAGLBSA-N 1 3 249.318 -0.036 10 0 BBAEHO CN1CCc2nnc(N3CC[NH2+]CC3)cc2C1 ZINC000725264828 538092206 /nfs/dbraw/zinc/09/22/06/538092206.db2.gz HSNUNJBDMRQNPF-UHFFFAOYSA-N 1 3 233.319 -0.126 10 0 BBAEHO NCc1c([C@H]2CCCCO2)nnn1CC[NH3+] ZINC000725269284 538101565 /nfs/dbraw/zinc/10/15/65/538101565.db2.gz OFUAAHKLHFJZST-SECBINFHSA-N 1 3 225.296 -0.063 10 0 BBAEHO NCc1c([C@@H]2CCCCO2)nnn1CC[NH3+] ZINC000725269288 538101464 /nfs/dbraw/zinc/10/14/64/538101464.db2.gz OFUAAHKLHFJZST-VIFPVBQESA-N 1 3 225.296 -0.063 10 0 BBAEHO C1[NH2+]CC12CCN[C@]1(CN3CCC1CC3)O2 ZINC000757153499 582538645 /nfs/dbraw/zinc/53/86/45/582538645.db2.gz XCBQONKJMAUYAW-GFCCVEGCSA-N 1 3 223.320 -0.240 10 0 BBAEHO C1[NH2+]CC12CCN[C@@]1(CN3CCC1CC3)O2 ZINC000757153506 582538404 /nfs/dbraw/zinc/53/84/04/582538404.db2.gz XCBQONKJMAUYAW-LBPRGKRZSA-N 1 3 223.320 -0.240 10 0 BBAEHO C[C@H](C1CC[NH2+]CC1)N1CC[C@@H]1C(N)=O ZINC000757163394 586432441 /nfs/dbraw/zinc/43/24/41/586432441.db2.gz ZREHAUCFFLRYJQ-PSASIEDQSA-N 1 3 211.309 -0.066 10 0 BBAEHO C[C@H](C1CC[NH2+]CC1)N1CC[C@H]1C(N)=O ZINC000757163396 586432435 /nfs/dbraw/zinc/43/24/35/586432435.db2.gz ZREHAUCFFLRYJQ-SCZZXKLOSA-N 1 3 211.309 -0.066 10 0 BBAEHO C[C@@H](C1CC[NH2+]CC1)N1CC[C@@H]1C(N)=O ZINC000757163400 586432713 /nfs/dbraw/zinc/43/27/13/586432713.db2.gz ZREHAUCFFLRYJQ-WCBMZHEXSA-N 1 3 211.309 -0.066 10 0 BBAEHO C[C@@H](C1CC[NH2+]CC1)N1CC[C@H]1C(N)=O ZINC000757163403 586432819 /nfs/dbraw/zinc/43/28/19/586432819.db2.gz ZREHAUCFFLRYJQ-WPRPVWTQSA-N 1 3 211.309 -0.066 10 0 BBAEHO [NH3+]C[C@@H]1OC(=O)C[C@]12CN1CCC2CC1 ZINC000757217199 586441232 /nfs/dbraw/zinc/44/12/32/586441232.db2.gz JAFIIJRWTVZQGU-GXSJLCMTSA-N 1 3 210.277 -0.027 10 0 BBAEHO [NH3+]C[C@H]1OC(=O)C[C@@]12CN1CCC2CC1 ZINC000757217205 586441427 /nfs/dbraw/zinc/44/14/27/586441427.db2.gz JAFIIJRWTVZQGU-KOLCDFICSA-N 1 3 210.277 -0.027 10 0 BBAEHO [NH3+]C[C@H]1OC(=O)C[C@]12CN1CCC2CC1 ZINC000757217207 586440583 /nfs/dbraw/zinc/44/05/83/586440583.db2.gz JAFIIJRWTVZQGU-MWLCHTKSSA-N 1 3 210.277 -0.027 10 0 BBAEHO [NH3+]C[C@@H]1OC(=O)C[C@@]12CN1CCC2CC1 ZINC000757217209 586441421 /nfs/dbraw/zinc/44/14/21/586441421.db2.gz JAFIIJRWTVZQGU-ONGXEEELSA-N 1 3 210.277 -0.027 10 0 BBAEHO C[NH2+]CCCn1nnc2c1ncnc2NN ZINC000757564269 586461413 /nfs/dbraw/zinc/46/14/13/586461413.db2.gz CYAKTMHEHRBVLY-UHFFFAOYSA-N 1 3 222.256 -0.884 10 0 BBAEHO C[NH+](C)CCCn1nnc2c1ncnc2NN ZINC000757569621 586367095 /nfs/dbraw/zinc/36/70/95/586367095.db2.gz UBMQADAJRQPBAK-UHFFFAOYSA-N 1 3 236.283 -0.541 10 0 BBAEHO C[NH+](C)CCn1nnc2c1ncnc2NN ZINC000757570499 586462371 /nfs/dbraw/zinc/46/23/71/586462371.db2.gz WYDBYNVYTCYCFB-UHFFFAOYSA-N 1 3 222.256 -0.932 10 0 BBAEHO