smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@H](O)C[N@H+]1[C@H]2CC[C@@H]1CC[NH+](C)C2 717425945 673922781 /nfs/dbraw/zinc/92/27/81/673922781.db2.gz OQHOWSQZASGNAN-AXFHLTTASA-N 2 2 198.310 0.536 20 0 ACADLP C[C@H](O)C[N@@H+]1[C@H]2CC[C@@H]1CC[NH+](C)C2 717425945 673922791 /nfs/dbraw/zinc/92/27/91/673922791.db2.gz OQHOWSQZASGNAN-AXFHLTTASA-N 2 2 198.310 0.536 20 0 ACADLP C[C@H](O)C[NH+]1[C@H]2CC[C@@H]1CC[N@@H+](C)C2 717425945 673922795 /nfs/dbraw/zinc/92/27/95/673922795.db2.gz OQHOWSQZASGNAN-AXFHLTTASA-N 2 2 198.310 0.536 20 0 ACADLP C[C@H](O)C[NH+]1[C@H]2CC[C@@H]1CC[N@H+](C)C2 717425945 673922798 /nfs/dbraw/zinc/92/27/98/673922798.db2.gz OQHOWSQZASGNAN-AXFHLTTASA-N 2 2 198.310 0.536 20 0 ACADLP C[C@@H]1CC[C@@H](C[N@H+]2C[C@@H]([NH3+])[C@H](C)C2)O1 723480090 673928169 /nfs/dbraw/zinc/92/81/69/673928169.db2.gz XXXMDAHHGXGHQC-CHWFTXMASA-N 2 2 198.310 0.833 20 0 ACADLP C[C@@H]1CC[C@@H](C[N@@H+]2C[C@@H]([NH3+])[C@H](C)C2)O1 723480090 673928172 /nfs/dbraw/zinc/92/81/72/673928172.db2.gz XXXMDAHHGXGHQC-CHWFTXMASA-N 2 2 198.310 0.833 20 0 ACADLP C[C@H]1CC[C@@H](C[N@H+]2C[C@@H]([NH3+])[C@H](C)C2)O1 723480094 673928268 /nfs/dbraw/zinc/92/82/68/673928268.db2.gz XXXMDAHHGXGHQC-VPOLOUISSA-N 2 2 198.310 0.833 20 0 ACADLP C[C@H]1CC[C@@H](C[N@@H+]2C[C@@H]([NH3+])[C@H](C)C2)O1 723480094 673928270 /nfs/dbraw/zinc/92/82/70/673928270.db2.gz XXXMDAHHGXGHQC-VPOLOUISSA-N 2 2 198.310 0.833 20 0 ACADLP C[C@H]1CC[C@H](C[N@H+]2C[C@@H]([NH3+])[C@H](C)C2)O1 723480091 673928307 /nfs/dbraw/zinc/92/83/07/673928307.db2.gz XXXMDAHHGXGHQC-LMLFDSFASA-N 2 2 198.310 0.833 20 0 ACADLP C[C@H]1CC[C@H](C[N@@H+]2C[C@@H]([NH3+])[C@H](C)C2)O1 723480091 673928309 /nfs/dbraw/zinc/92/83/09/673928309.db2.gz XXXMDAHHGXGHQC-LMLFDSFASA-N 2 2 198.310 0.833 20 0 ACADLP C[NH2+][C@@H]1CCC[N@H+](C[C@H](C)O)C1 234433183 673934081 /nfs/dbraw/zinc/93/40/81/673934081.db2.gz VLNPFNCSJRQDCL-DTWKUNHWSA-N 2 2 172.272 0.051 20 0 ACADLP C[NH2+][C@@H]1CCC[N@@H+](C[C@H](C)O)C1 234433183 673934082 /nfs/dbraw/zinc/93/40/82/673934082.db2.gz VLNPFNCSJRQDCL-DTWKUNHWSA-N 2 2 172.272 0.051 20 0 ACADLP C[C@@H]1C[C@H]([NH2+][C@H]2CC[NH2+]C2(C)C)CO1 925707174 673948178 /nfs/dbraw/zinc/94/81/78/673948178.db2.gz CPFWJJTUAIRLEL-UTLUCORTSA-N 2 2 198.310 0.894 20 0 ACADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CC[NH2+]C2(C)C)CO1 925707173 673948187 /nfs/dbraw/zinc/94/81/87/673948187.db2.gz CPFWJJTUAIRLEL-OPRDCNLKSA-N 2 2 198.310 0.894 20 0 ACADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CC[NH2+]C2(C)C)CO1 925707171 673948214 /nfs/dbraw/zinc/94/82/14/673948214.db2.gz CPFWJJTUAIRLEL-BBBLOLIVSA-N 2 2 198.310 0.894 20 0 ACADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[NH2+]C2(C)C)CO1 925707172 673948236 /nfs/dbraw/zinc/94/82/36/673948236.db2.gz CPFWJJTUAIRLEL-KXUCPTDWSA-N 2 2 198.310 0.894 20 0 ACADLP C[C@H]([NH3+])C[N@@H+](C)C[C@H]1CC[C@@H](C)O1 299991292 673948393 /nfs/dbraw/zinc/94/83/93/673948393.db2.gz BYAQMEBCTPOMGG-IVZWLZJFSA-N 2 2 186.299 0.833 20 0 ACADLP C[C@H]([NH3+])C[N@H+](C)C[C@H]1CC[C@@H](C)O1 299991292 673948388 /nfs/dbraw/zinc/94/83/88/673948388.db2.gz BYAQMEBCTPOMGG-IVZWLZJFSA-N 2 2 186.299 0.833 20 0 ACADLP C[C@H]([NH3+])C[N@H+](C)C[C@@H]1CC[C@H](C)O1 299991290 673948541 /nfs/dbraw/zinc/94/85/41/673948541.db2.gz BYAQMEBCTPOMGG-GUBZILKMSA-N 2 2 186.299 0.833 20 0 ACADLP C[C@H]([NH3+])C[N@@H+](C)C[C@@H]1CC[C@H](C)O1 299991290 673948544 /nfs/dbraw/zinc/94/85/44/673948544.db2.gz BYAQMEBCTPOMGG-GUBZILKMSA-N 2 2 186.299 0.833 20 0 ACADLP C[C@H]([NH3+])C[N@H+](C)C[C@H]1CC[C@H](C)O1 299991293 673948551 /nfs/dbraw/zinc/94/85/51/673948551.db2.gz BYAQMEBCTPOMGG-LPEHRKFASA-N 2 2 186.299 0.833 20 0 ACADLP C[C@H]([NH3+])C[N@@H+](C)C[C@H]1CC[C@H](C)O1 299991293 673948554 /nfs/dbraw/zinc/94/85/54/673948554.db2.gz BYAQMEBCTPOMGG-LPEHRKFASA-N 2 2 186.299 0.833 20 0 ACADLP COC[C@@H](C)[N@@H+]1CC[C@]2(CCC[NH2+]2)C1 334979416 673948820 /nfs/dbraw/zinc/94/88/20/673948820.db2.gz HFPKADJRIYFDPX-GHMZBOCLSA-N 2 2 198.310 0.849 20 0 ACADLP COC[C@@H](C)[N@H+]1CC[C@]2(CCC[NH2+]2)C1 334979416 673948821 /nfs/dbraw/zinc/94/88/21/673948821.db2.gz HFPKADJRIYFDPX-GHMZBOCLSA-N 2 2 198.310 0.849 20 0 ACADLP COC[C@H](C)[N@@H+]1CC[C@@]2(CCC[NH2+]2)C1 334979418 673948908 /nfs/dbraw/zinc/94/89/08/673948908.db2.gz HFPKADJRIYFDPX-QWRGUYRKSA-N 2 2 198.310 0.849 20 0 ACADLP COC[C@H](C)[N@H+]1CC[C@@]2(CCC[NH2+]2)C1 334979418 673948910 /nfs/dbraw/zinc/94/89/10/673948910.db2.gz HFPKADJRIYFDPX-QWRGUYRKSA-N 2 2 198.310 0.849 20 0 ACADLP COC[C@H](C)[N@@H+]1CC[C@]2(CCC[NH2+]2)C1 334979419 673948927 /nfs/dbraw/zinc/94/89/27/673948927.db2.gz HFPKADJRIYFDPX-WDEREUQCSA-N 2 2 198.310 0.849 20 0 ACADLP COC[C@H](C)[N@H+]1CC[C@]2(CCC[NH2+]2)C1 334979419 673948931 /nfs/dbraw/zinc/94/89/31/673948931.db2.gz HFPKADJRIYFDPX-WDEREUQCSA-N 2 2 198.310 0.849 20 0 ACADLP COC[C@@H](C)[N@@H+]1CC[C@@]2(CCC[NH2+]2)C1 334979417 673955422 /nfs/dbraw/zinc/95/54/22/673955422.db2.gz HFPKADJRIYFDPX-MNOVXSKESA-N 2 2 198.310 0.849 20 0 ACADLP COC[C@@H](C)[N@H+]1CC[C@@]2(CCC[NH2+]2)C1 334979417 673955424 /nfs/dbraw/zinc/95/54/24/673955424.db2.gz HFPKADJRIYFDPX-MNOVXSKESA-N 2 2 198.310 0.849 20 0 ACADLP C[C@@H](C[NH+](C)C)N[C@@H]1CCC[N@H+](C)C1 130270842 1169180876 /nfs/dbraw/zinc/18/08/76/1169180876.db2.gz APMQNCFDDJZRIY-WDEREUQCSA-N 2 2 199.342 0.620 20 0 ACADLP C[C@@H](C[NH+](C)C)N[C@@H]1CCC[N@@H+](C)C1 130270842 1169180880 /nfs/dbraw/zinc/18/08/80/1169180880.db2.gz APMQNCFDDJZRIY-WDEREUQCSA-N 2 2 199.342 0.620 20 0 ACADLP C[C@@H](C[NH+](C)C)N[C@H]1CCC[N@H+](C)C1 130271270 1169181016 /nfs/dbraw/zinc/18/10/16/1169181016.db2.gz APMQNCFDDJZRIY-QWRGUYRKSA-N 2 2 199.342 0.620 20 0 ACADLP C[C@@H](C[NH+](C)C)N[C@H]1CCC[N@@H+](C)C1 130271270 1169181021 /nfs/dbraw/zinc/18/10/21/1169181021.db2.gz APMQNCFDDJZRIY-QWRGUYRKSA-N 2 2 199.342 0.620 20 0 ACADLP c1ncc(C[NH2+]CCn2cc[nH+]c2)[nH]1 54765189 673965493 /nfs/dbraw/zinc/96/54/93/673965493.db2.gz RSRDHYLOQYUWHY-UHFFFAOYSA-N 2 2 191.238 0.396 20 0 ACADLP C[C@@H](CCO)[NH2+]CC[NH+]1CCCC1 226719265 673969360 /nfs/dbraw/zinc/96/93/60/673969360.db2.gz DAPPMAGEEUFLJF-JTQLQIEISA-N 2 2 186.299 0.443 20 0 ACADLP CC[C@H](O)C[N@@H+]1CCC[C@@H]([NH2+]C)C1 226718623 673969441 /nfs/dbraw/zinc/96/94/41/673969441.db2.gz YUFGTTFMYPGCQO-ZJUUUORDSA-N 2 2 186.299 0.441 20 0 ACADLP CC[C@H](O)C[N@H+]1CCC[C@@H]([NH2+]C)C1 226718623 673969445 /nfs/dbraw/zinc/96/94/45/673969445.db2.gz YUFGTTFMYPGCQO-ZJUUUORDSA-N 2 2 186.299 0.441 20 0 ACADLP C[NH2+][C@@H]1CCC[N@H+](C[C@@H](C)O)C1 226718639 673969533 /nfs/dbraw/zinc/96/95/33/673969533.db2.gz VLNPFNCSJRQDCL-RKDXNWHRSA-N 2 2 172.272 0.051 20 0 ACADLP C[NH2+][C@@H]1CCC[N@@H+](C[C@@H](C)O)C1 226718639 673969535 /nfs/dbraw/zinc/96/95/35/673969535.db2.gz VLNPFNCSJRQDCL-RKDXNWHRSA-N 2 2 172.272 0.051 20 0 ACADLP C[NH2+]CC[N@H+](C)[C@H](C)CCOC 69800820 673974484 /nfs/dbraw/zinc/97/44/84/673974484.db2.gz KZUCMAWIOLRSHV-SECBINFHSA-N 2 2 174.288 0.563 20 0 ACADLP C[NH2+]CC[N@@H+](C)[C@H](C)CCOC 69800820 673974486 /nfs/dbraw/zinc/97/44/86/673974486.db2.gz KZUCMAWIOLRSHV-SECBINFHSA-N 2 2 174.288 0.563 20 0 ACADLP C[NH2+]CC[N@H+](C)[C@@H](C)CCOC 69800818 673974504 /nfs/dbraw/zinc/97/45/04/673974504.db2.gz KZUCMAWIOLRSHV-VIFPVBQESA-N 2 2 174.288 0.563 20 0 ACADLP C[NH2+]CC[N@@H+](C)[C@@H](C)CCOC 69800818 673974505 /nfs/dbraw/zinc/97/45/05/673974505.db2.gz KZUCMAWIOLRSHV-VIFPVBQESA-N 2 2 174.288 0.563 20 0 ACADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@@H]1C 706756365 673987947 /nfs/dbraw/zinc/98/79/47/673987947.db2.gz XIAKEQUZHHRPOJ-VHSXEESVSA-N 2 2 186.299 0.393 20 0 ACADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@@H]1C 706756365 673987950 /nfs/dbraw/zinc/98/79/50/673987950.db2.gz XIAKEQUZHHRPOJ-VHSXEESVSA-N 2 2 186.299 0.393 20 0 ACADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@@H]1C 706756365 673987953 /nfs/dbraw/zinc/98/79/53/673987953.db2.gz XIAKEQUZHHRPOJ-VHSXEESVSA-N 2 2 186.299 0.393 20 0 ACADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@@H]1C 706756365 673987955 /nfs/dbraw/zinc/98/79/55/673987955.db2.gz XIAKEQUZHHRPOJ-VHSXEESVSA-N 2 2 186.299 0.393 20 0 ACADLP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H]1C 706756364 673988058 /nfs/dbraw/zinc/98/80/58/673988058.db2.gz XIAKEQUZHHRPOJ-UWVGGRQHSA-N 2 2 186.299 0.393 20 0 ACADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H]1C 706756364 673988060 /nfs/dbraw/zinc/98/80/60/673988060.db2.gz XIAKEQUZHHRPOJ-UWVGGRQHSA-N 2 2 186.299 0.393 20 0 ACADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H]1C 706756364 673988062 /nfs/dbraw/zinc/98/80/62/673988062.db2.gz XIAKEQUZHHRPOJ-UWVGGRQHSA-N 2 2 186.299 0.393 20 0 ACADLP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H]1C 706756364 673988065 /nfs/dbraw/zinc/98/80/65/673988065.db2.gz XIAKEQUZHHRPOJ-UWVGGRQHSA-N 2 2 186.299 0.393 20 0 ACADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@H]1C 706756363 673988401 /nfs/dbraw/zinc/98/84/01/673988401.db2.gz XIAKEQUZHHRPOJ-NXEZZACHSA-N 2 2 186.299 0.393 20 0 ACADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@H]1C 706756363 673988402 /nfs/dbraw/zinc/98/84/02/673988402.db2.gz XIAKEQUZHHRPOJ-NXEZZACHSA-N 2 2 186.299 0.393 20 0 ACADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@H]1C 706756363 673988403 /nfs/dbraw/zinc/98/84/03/673988403.db2.gz XIAKEQUZHHRPOJ-NXEZZACHSA-N 2 2 186.299 0.393 20 0 ACADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@H]1C 706756363 673988404 /nfs/dbraw/zinc/98/84/04/673988404.db2.gz XIAKEQUZHHRPOJ-NXEZZACHSA-N 2 2 186.299 0.393 20 0 ACADLP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@H]1C 706756366 673988411 /nfs/dbraw/zinc/98/84/11/673988411.db2.gz XIAKEQUZHHRPOJ-ZJUUUORDSA-N 2 2 186.299 0.393 20 0 ACADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H]1C 706756366 673988412 /nfs/dbraw/zinc/98/84/12/673988412.db2.gz XIAKEQUZHHRPOJ-ZJUUUORDSA-N 2 2 186.299 0.393 20 0 ACADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H]1C 706756366 673988413 /nfs/dbraw/zinc/98/84/13/673988413.db2.gz XIAKEQUZHHRPOJ-ZJUUUORDSA-N 2 2 186.299 0.393 20 0 ACADLP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@H]1C 706756366 673988414 /nfs/dbraw/zinc/98/84/14/673988414.db2.gz XIAKEQUZHHRPOJ-ZJUUUORDSA-N 2 2 186.299 0.393 20 0 ACADLP CC(C)C[C@H](C)CNC(C[NH3+])C[NH3+] 708262938 673990919 /nfs/dbraw/zinc/99/09/19/673990919.db2.gz YIFNSQLEGMPRKQ-VIFPVBQESA-N 2 2 187.331 0.544 20 0 ACADLP CC(C)C[C@H](C)C[NH2+]C(CN)C[NH3+] 708262938 673990920 /nfs/dbraw/zinc/99/09/20/673990920.db2.gz YIFNSQLEGMPRKQ-VIFPVBQESA-N 2 2 187.331 0.544 20 0 ACADLP CC(C)C[C@@H](C)CNC(C[NH3+])C[NH3+] 708262935 673991199 /nfs/dbraw/zinc/99/11/99/673991199.db2.gz YIFNSQLEGMPRKQ-SECBINFHSA-N 2 2 187.331 0.544 20 0 ACADLP CC(C)C[C@@H](C)C[NH2+]C(CN)C[NH3+] 708262935 673991201 /nfs/dbraw/zinc/99/12/01/673991201.db2.gz YIFNSQLEGMPRKQ-SECBINFHSA-N 2 2 187.331 0.544 20 0 ACADLP [NH3+]CC(C[NH3+])NCCC1CCC1 710087119 673995022 /nfs/dbraw/zinc/99/50/22/673995022.db2.gz QKGJMCHBKUHGOB-UHFFFAOYSA-N 2 2 171.288 0.052 20 0 ACADLP C[C@H]1C[C@@H]([NH3+])C[N@@H+]1CCOC1CC1 711659476 674001902 /nfs/dbraw/zinc/00/19/02/674001902.db2.gz QICDQBXLSWQRIC-DTWKUNHWSA-N 2 2 184.283 0.587 20 0 ACADLP C[C@H]1C[C@@H]([NH3+])C[N@H+]1CCOC1CC1 711659476 674001903 /nfs/dbraw/zinc/00/19/03/674001903.db2.gz QICDQBXLSWQRIC-DTWKUNHWSA-N 2 2 184.283 0.587 20 0 ACADLP [NH3+]C[C@H]1CCC[N@@H+]1CCOC1CC1 711680016 674001388 /nfs/dbraw/zinc/00/13/88/674001388.db2.gz HHGQPSMJXABMPD-SECBINFHSA-N 2 2 184.283 0.589 20 0 ACADLP [NH3+]C[C@H]1CCC[N@H+]1CCOC1CC1 711680016 674001391 /nfs/dbraw/zinc/00/13/91/674001391.db2.gz HHGQPSMJXABMPD-SECBINFHSA-N 2 2 184.283 0.589 20 0 ACADLP C[C@H](C[NH3+])[N@H+](C)CCOC1CC1 711717386 674001449 /nfs/dbraw/zinc/00/14/49/674001449.db2.gz ZMGVWEAVKMRDIQ-MRVPVSSYSA-N 2 2 172.272 0.444 20 0 ACADLP C[C@H](C[NH3+])[N@@H+](C)CCOC1CC1 711717386 674001452 /nfs/dbraw/zinc/00/14/52/674001452.db2.gz ZMGVWEAVKMRDIQ-MRVPVSSYSA-N 2 2 172.272 0.444 20 0 ACADLP C[C@@H](C[NH3+])[N@H+](C)CCOC1CC1 711717387 674001572 /nfs/dbraw/zinc/00/15/72/674001572.db2.gz ZMGVWEAVKMRDIQ-QMMMGPOBSA-N 2 2 172.272 0.444 20 0 ACADLP C[C@@H](C[NH3+])[N@@H+](C)CCOC1CC1 711717387 674001573 /nfs/dbraw/zinc/00/15/73/674001573.db2.gz ZMGVWEAVKMRDIQ-QMMMGPOBSA-N 2 2 172.272 0.444 20 0 ACADLP C[C@@H]1C[C@@H]([NH3+])C[N@@H+]1CCOC1CC1 711659479 674001880 /nfs/dbraw/zinc/00/18/80/674001880.db2.gz QICDQBXLSWQRIC-RKDXNWHRSA-N 2 2 184.283 0.587 20 0 ACADLP C[C@@H]1C[C@@H]([NH3+])C[N@H+]1CCOC1CC1 711659479 674001881 /nfs/dbraw/zinc/00/18/81/674001881.db2.gz QICDQBXLSWQRIC-RKDXNWHRSA-N 2 2 184.283 0.587 20 0 ACADLP C[C@@H]1C[C@H]([NH3+])C[N@@H+]1CCOC1CC1 711659475 674001999 /nfs/dbraw/zinc/00/19/99/674001999.db2.gz QICDQBXLSWQRIC-BDAKNGLRSA-N 2 2 184.283 0.587 20 0 ACADLP C[C@@H]1C[C@H]([NH3+])C[N@H+]1CCOC1CC1 711659475 674002001 /nfs/dbraw/zinc/00/20/01/674002001.db2.gz QICDQBXLSWQRIC-BDAKNGLRSA-N 2 2 184.283 0.587 20 0 ACADLP C1C[NH2+]CC[N@H+](CCOC2CC2)C1 711731119 674002172 /nfs/dbraw/zinc/00/21/72/674002172.db2.gz MAPVLRNIFJECQD-UHFFFAOYSA-N 2 2 184.283 0.461 20 0 ACADLP C1C[NH2+]CC[N@@H+](CCOC2CC2)C1 711731119 674002173 /nfs/dbraw/zinc/00/21/73/674002173.db2.gz MAPVLRNIFJECQD-UHFFFAOYSA-N 2 2 184.283 0.461 20 0 ACADLP C[C@H]1C[C@H]([NH3+])C[N@@H+]1CCOC1CC1 711659478 674002138 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2 197.282 0.631 20 0 ACADLP C[C@H](O)[C@@H](C)[NH2+][C@H](C)Cn1cc[nH+]c1 251350414 1169429476 /nfs/dbraw/zinc/42/94/76/1169429476.db2.gz GIODILKRSHJBBM-BBBLOLIVSA-N 2 2 197.282 0.631 20 0 ACADLP Cc1nc(N2C[C@@H]([NH3+])[C@H](C)C2)cc[nH+]1 300048408 1169458519 /nfs/dbraw/zinc/45/85/19/1169458519.db2.gz JPXCSNSDNWCWAE-VXNVDRBHSA-N 2 2 192.266 0.568 20 0 ACADLP C[C@@H]1CC[N@H+](C[C@H]2CCC[NH2+]2)C[C@H]1O 300060037 1169459186 /nfs/dbraw/zinc/45/91/86/1169459186.db2.gz CSAPTXNOZCVEBC-GMTAPVOTSA-N 2 2 198.310 0.441 20 0 ACADLP C[C@@H]1CC[N@@H+](C[C@H]2CCC[NH2+]2)C[C@H]1O 300060037 1169459191 /nfs/dbraw/zinc/45/91/91/1169459191.db2.gz CSAPTXNOZCVEBC-GMTAPVOTSA-N 2 2 198.310 0.441 20 0 ACADLP C[C@@H]1CC[N@H+](C[C@H]2CCC[NH2+]2)C[C@@H]1O 300060039 1169459309 /nfs/dbraw/zinc/45/93/09/1169459309.db2.gz CSAPTXNOZCVEBC-MXWKQRLJSA-N 2 2 198.310 0.441 20 0 ACADLP C[C@@H]1CC[N@@H+](C[C@H]2CCC[NH2+]2)C[C@@H]1O 300060039 1169459314 /nfs/dbraw/zinc/45/93/14/1169459314.db2.gz CSAPTXNOZCVEBC-MXWKQRLJSA-N 2 2 198.310 0.441 20 0 ACADLP Cc1[nH+]ccn1Cc1noc(C[NH3+])n1 300860060 1169462998 /nfs/dbraw/zinc/46/29/98/1169462998.db2.gz IQYFFWHLMYKZKM-UHFFFAOYSA-N 2 2 193.210 0.082 20 0 ACADLP CC(C)([NH3+])c1nc([C@@H]2CCC[NH2+]2)no1 306236649 1169468081 /nfs/dbraw/zinc/46/80/81/1169468081.db2.gz FCCBJFRASFZSGH-LURJTMIESA-N 2 2 196.254 0.688 20 0 ACADLP CC(C)([NH3+])c1nc([C@H]2CCC[NH2+]2)no1 306236650 1169468158 /nfs/dbraw/zinc/46/81/58/1169468158.db2.gz FCCBJFRASFZSGH-ZCFIWIBFSA-N 2 2 196.254 0.688 20 0 ACADLP [NH3+]C1(c2nc([C@H]3CCC[NH2+]3)no2)CC1 306705293 1169486444 /nfs/dbraw/zinc/48/64/44/1169486444.db2.gz GOIAQVPTBXPRII-ZCFIWIBFSA-N 2 2 194.238 0.442 20 0 ACADLP [NH3+]C1(c2nc([C@@H]3CCC[NH2+]3)no2)CC1 306705292 1169487581 /nfs/dbraw/zinc/48/75/81/1169487581.db2.gz GOIAQVPTBXPRII-LURJTMIESA-N 2 2 194.238 0.442 20 0 ACADLP C1C[NH2+][C@@H](c2noc([C@H]3CC[NH2+]3)n2)C1 306956640 1169495361 /nfs/dbraw/zinc/49/53/61/1169495361.db2.gz RWBHTKSBLWAHIR-RNFRBKRXSA-N 2 2 194.238 0.529 20 0 ACADLP C1C[NH2+][C@H](c2noc([C@H]3CC[NH2+]3)n2)C1 306956639 1169496545 /nfs/dbraw/zinc/49/65/45/1169496545.db2.gz RWBHTKSBLWAHIR-NKWVEPMBSA-N 2 2 194.238 0.529 20 0 ACADLP C[NH2+]Cc1nc(C2([NH3+])CCC2)no1 307213769 1169506205 /nfs/dbraw/zinc/50/62/05/1169506205.db2.gz YNZHRFMWEJXNGP-UHFFFAOYSA-N 2 2 182.227 0.127 20 0 ACADLP C[C@H]([NH3+])c1cn(Cc2[nH]cc[nH+]2)nn1 307413573 1169519503 /nfs/dbraw/zinc/51/95/03/1169519503.db2.gz IOHXUWDIJFSPAB-LURJTMIESA-N 2 2 192.226 0.069 20 0 ACADLP [NH3+]C1(c2noc(C3([NH3+])CC3)n2)CCC1 307646891 1169533759 /nfs/dbraw/zinc/53/37/59/1169533759.db2.gz NDZIZHYYCFBDJP-UHFFFAOYSA-N 2 2 194.238 0.355 20 0 ACADLP Cc1cc(C[NH2+]C(C)(C)C[NH3+])n(C)n1 308480197 1169550782 /nfs/dbraw/zinc/55/07/82/1169550782.db2.gz MNEDSGKOSKCEEQ-UHFFFAOYSA-N 2 2 196.298 0.555 20 0 ACADLP O[C@H](C[NH2+]CCF)C[NH+]1CCCC1 379362200 1169574743 /nfs/dbraw/zinc/57/47/43/1169574743.db2.gz DCRNJHKDGGMKNU-SECBINFHSA-N 2 2 190.262 0.002 20 0 ACADLP O[C@@H](C[NH2+]CCF)C[NH+]1CCCC1 379362210 1169575811 /nfs/dbraw/zinc/57/58/11/1169575811.db2.gz DCRNJHKDGGMKNU-VIFPVBQESA-N 2 2 190.262 0.002 20 0 ACADLP CCOC1C[NH+](CC2(C[NH3+])CCC2)C1 382791285 1169604026 /nfs/dbraw/zinc/60/40/26/1169604026.db2.gz OTPWPLLSKOFEGO-UHFFFAOYSA-N 2 2 198.310 0.836 20 0 ACADLP COC1(C)C[NH+](CC2(C[NH3+])CCC2)C1 382976195 1169604659 /nfs/dbraw/zinc/60/46/59/1169604659.db2.gz QTXVHNQPHGYOHK-UHFFFAOYSA-N 2 2 198.310 0.836 20 0 ACADLP COC1(C)C[NH+](CC(C)(C)C[NH3+])C1 382945490 1169605779 /nfs/dbraw/zinc/60/57/79/1169605779.db2.gz CCKDXEGUTQYRTP-UHFFFAOYSA-N 2 2 186.299 0.692 20 0 ACADLP Cc1nn(C)cc1C[NH2+]C(C)(C)C[NH3+] 388668091 1169631732 /nfs/dbraw/zinc/63/17/32/1169631732.db2.gz FSCHZXVRCHLINL-UHFFFAOYSA-N 2 2 196.298 0.555 20 0 ACADLP CO[C@@H](C[NH2+][C@@]1(C)CC[NH2+]C1)C1CC1 400167878 1169673419 /nfs/dbraw/zinc/67/34/19/1169673419.db2.gz ZLAXMYNYINKBAP-QWRGUYRKSA-N 2 2 198.310 0.753 20 0 ACADLP CO[C@H](C[NH2+][C@]1(C)CC[NH2+]C1)C1CC1 400167873 1169673618 /nfs/dbraw/zinc/67/36/18/1169673618.db2.gz ZLAXMYNYINKBAP-GHMZBOCLSA-N 2 2 198.310 0.753 20 0 ACADLP CO[C@H](C[NH2+][C@@]1(C)CC[NH2+]C1)C1CC1 400167876 1169674092 /nfs/dbraw/zinc/67/40/92/1169674092.db2.gz ZLAXMYNYINKBAP-MNOVXSKESA-N 2 2 198.310 0.753 20 0 ACADLP CO[C@@H](C[NH2+][C@]1(C)CC[NH2+]C1)C1CC1 400167879 1169674661 /nfs/dbraw/zinc/67/46/61/1169674661.db2.gz ZLAXMYNYINKBAP-WDEREUQCSA-N 2 2 198.310 0.753 20 0 ACADLP C[C@H]1CC[N@@H+](CC[NH2+]C[C@@H](C)O)C1 707967276 1169717603 /nfs/dbraw/zinc/71/76/03/1169717603.db2.gz HSQLVHOFKXVPCO-VHSXEESVSA-N 2 2 186.299 0.299 20 0 ACADLP C[C@H]1CC[N@H+](CC[NH2+]C[C@@H](C)O)C1 707967276 1169717605 /nfs/dbraw/zinc/71/76/05/1169717605.db2.gz HSQLVHOFKXVPCO-VHSXEESVSA-N 2 2 186.299 0.299 20 0 ACADLP C[C@@H](O)C[NH2+]CC[N@@H+]1CC[C@@H](C)C1 707967274 1169718765 /nfs/dbraw/zinc/71/87/65/1169718765.db2.gz HSQLVHOFKXVPCO-NXEZZACHSA-N 2 2 186.299 0.299 20 0 ACADLP C[C@@H](O)C[NH2+]CC[N@H+]1CC[C@@H](C)C1 707967274 1169718769 /nfs/dbraw/zinc/71/87/69/1169718769.db2.gz HSQLVHOFKXVPCO-NXEZZACHSA-N 2 2 186.299 0.299 20 0 ACADLP [NH3+][C@H]1C[NH2+]C[C@@H]1c1nccs1 143104205 566266800 /nfs/dbraw/zinc/26/68/00/566266800.db2.gz MQDGGWRBQNVHIA-WDSKDSINSA-N 2 2 169.253 0.157 20 0 ACADLP [NH3+][C@@H]1C[NH2+]C[C@@H]1c1nccs1 143103997 566267604 /nfs/dbraw/zinc/26/76/04/566267604.db2.gz MQDGGWRBQNVHIA-NTSWFWBYSA-N 2 2 169.253 0.157 20 0 ACADLP [NH3+][C@@H]1C[NH2+]C[C@H]1c1nccs1 143104398 566267633 /nfs/dbraw/zinc/26/76/33/566267633.db2.gz MQDGGWRBQNVHIA-PHDIDXHHSA-N 2 2 169.253 0.157 20 0 ACADLP [NH3+][C@H]1C[NH2+]C[C@H]1c1nccs1 143104560 566267671 /nfs/dbraw/zinc/26/76/71/566267671.db2.gz MQDGGWRBQNVHIA-RITPCOANSA-N 2 2 169.253 0.157 20 0 ACADLP C[C@H](C[NH2+][C@@H]1CCC[C@@H]([NH3+])C1)[NH+](C)C 222973619 566280645 /nfs/dbraw/zinc/28/06/45/566280645.db2.gz KLVVVYWJWUWQSH-GMTAPVOTSA-N 3 2 199.342 0.796 20 0 ACADLP C[C@H](C[NH2+][C@H]1CCC[C@@H]([NH3+])C1)[NH+](C)C 222973744 566280684 /nfs/dbraw/zinc/28/06/84/566280684.db2.gz KLVVVYWJWUWQSH-MXWKQRLJSA-N 3 2 199.342 0.796 20 0 ACADLP C[NH+]1CCC(O)(C(F)(F)C[NH3+])CC1 257880161 566289596 /nfs/dbraw/zinc/28/95/96/566289596.db2.gz VGWHUJCQRLCSAQ-UHFFFAOYSA-N 2 2 194.225 0.037 20 0 ACADLP C[C@@H](O)C[NH2+][C@@H]1CCn2cc[nH+]c2C1 1325877690 1170234367 /nfs/dbraw/zinc/23/43/67/1170234367.db2.gz GJZBJXXSIBBQEN-RKDXNWHRSA-N 2 2 195.266 0.168 20 0 ACADLP C[C@H](O)C[NH2+][C@H]1CCn2cc[nH+]c2C1 1325843646 1170234380 /nfs/dbraw/zinc/23/43/80/1170234380.db2.gz GJZBJXXSIBBQEN-IUCAKERBSA-N 2 2 195.266 0.168 20 0 ACADLP CC[NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1 1326036470 1170234422 /nfs/dbraw/zinc/23/44/22/1170234422.db2.gz HCBLXFMNDCNGIU-UWVGGRQHSA-N 2 2 184.283 0.363 20 0 ACADLP CC[NH2+][C@H](C1CC1)[C@H]1C[NH2+]CCO1 1326036469 1170236016 /nfs/dbraw/zinc/23/60/16/1170236016.db2.gz HCBLXFMNDCNGIU-NXEZZACHSA-N 2 2 184.283 0.363 20 0 ACADLP CC[NH2+][C@@H](C1CC1)[C@H]1C[NH2+]CCO1 1326036472 1170236302 /nfs/dbraw/zinc/23/63/02/1170236302.db2.gz HCBLXFMNDCNGIU-ZJUUUORDSA-N 2 2 184.283 0.363 20 0 ACADLP CC[NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1 1326036471 1170236519 /nfs/dbraw/zinc/23/65/19/1170236519.db2.gz HCBLXFMNDCNGIU-VHSXEESVSA-N 2 2 184.283 0.363 20 0 ACADLP C[C@@H](O)C[NH2+][C@H]1CCn2cc[nH+]c2C1 1325877686 1170236833 /nfs/dbraw/zinc/23/68/33/1170236833.db2.gz GJZBJXXSIBBQEN-BDAKNGLRSA-N 2 2 195.266 0.168 20 0 ACADLP C[C@H](O)C[NH2+][C@@H]1CCn2cc[nH+]c2C1 1325843644 1170237097 /nfs/dbraw/zinc/23/70/97/1170237097.db2.gz GJZBJXXSIBBQEN-DTWKUNHWSA-N 2 2 195.266 0.168 20 0 ACADLP [NH3+]CC(C[NH3+])NCCCCCF 1334338636 1170340751 /nfs/dbraw/zinc/34/07/51/1170340751.db2.gz PXUTZIZYNXTFPI-UHFFFAOYSA-N 2 2 177.267 0.002 20 0 ACADLP C[C@H]1CCOCC[N@H+]1C[C@@H](C)[NH3+] 1334762045 1170343495 /nfs/dbraw/zinc/34/34/95/1170343495.db2.gz DFQDCHNFNKVIBV-BDAKNGLRSA-N 2 2 172.272 0.444 20 0 ACADLP C[C@H]1CCOCC[N@@H+]1C[C@@H](C)[NH3+] 1334762045 1170343497 /nfs/dbraw/zinc/34/34/97/1170343497.db2.gz DFQDCHNFNKVIBV-BDAKNGLRSA-N 2 2 172.272 0.444 20 0 ACADLP C[C@H]([NH3+])C[N@@H+]1CCOCC[C@H]1C 1334762046 1170344843 /nfs/dbraw/zinc/34/48/43/1170344843.db2.gz DFQDCHNFNKVIBV-DTWKUNHWSA-N 2 2 172.272 0.444 20 0 ACADLP C[C@H]([NH3+])C[N@H+]1CCOCC[C@H]1C 1334762046 1170344852 /nfs/dbraw/zinc/34/48/52/1170344852.db2.gz DFQDCHNFNKVIBV-DTWKUNHWSA-N 2 2 172.272 0.444 20 0 ACADLP C[C@@H]([NH3+])C[N@@H+]1CCOCC[C@H]1C 1334762048 1170345361 /nfs/dbraw/zinc/34/53/61/1170345361.db2.gz DFQDCHNFNKVIBV-RKDXNWHRSA-N 2 2 172.272 0.444 20 0 ACADLP C[C@@H]([NH3+])C[N@H+]1CCOCC[C@H]1C 1334762048 1170345364 /nfs/dbraw/zinc/34/53/64/1170345364.db2.gz DFQDCHNFNKVIBV-RKDXNWHRSA-N 2 2 172.272 0.444 20 0 ACADLP C[C@H]([NH3+])C[N@@H+]1CCOCC[C@@H]1C 1334762047 1170345486 /nfs/dbraw/zinc/34/54/86/1170345486.db2.gz DFQDCHNFNKVIBV-IUCAKERBSA-N 2 2 172.272 0.444 20 0 ACADLP C[C@H]([NH3+])C[N@H+]1CCOCC[C@@H]1C 1334762047 1170345488 /nfs/dbraw/zinc/34/54/88/1170345488.db2.gz DFQDCHNFNKVIBV-IUCAKERBSA-N 2 2 172.272 0.444 20 0 ACADLP C[NH2+]C[C@H](C)C[NH2+][C@H](C)c1ncc[nH]1 1335254235 1170349596 /nfs/dbraw/zinc/34/95/96/1170349596.db2.gz XNQTUXSOVVMPJI-DTWKUNHWSA-N 2 2 196.298 0.916 20 0 ACADLP C[NH2+]C[C@@H](C)C[NH2+][C@@H](C)c1ncc[nH]1 1335254227 1170350102 /nfs/dbraw/zinc/35/01/02/1170350102.db2.gz XNQTUXSOVVMPJI-BDAKNGLRSA-N 2 2 196.298 0.916 20 0 ACADLP C[NH2+]C[C@H](C)C[NH2+][C@@H](C)c1ncc[nH]1 1335254237 1170351459 /nfs/dbraw/zinc/35/14/59/1170351459.db2.gz XNQTUXSOVVMPJI-IUCAKERBSA-N 2 2 196.298 0.916 20 0 ACADLP C[NH2+]C[C@@H](C)C[NH2+][C@H](C)c1ncc[nH]1 1335254238 1170352032 /nfs/dbraw/zinc/35/20/32/1170352032.db2.gz XNQTUXSOVVMPJI-RKDXNWHRSA-N 2 2 196.298 0.916 20 0 ACADLP Cc1n[nH]c(C)c1C[NH2+]CC1([NH3+])CC1 1336285857 1170369649 /nfs/dbraw/zinc/36/96/49/1170369649.db2.gz MZQRNZKBAUJXAK-UHFFFAOYSA-N 2 2 194.282 0.607 20 0 ACADLP C[C@@H](O)C[NH2+]C[C@@H](C)Cn1cc[nH+]c1 1338460618 1170411242 /nfs/dbraw/zinc/41/12/42/1170411242.db2.gz IXYVAHOOCMKACO-NXEZZACHSA-N 2 2 197.282 0.490 20 0 ACADLP C[C@@H](C[NH2+]C[C@@H](C)O)Cn1cc[nH+]c1 1338460619 1170411315 /nfs/dbraw/zinc/41/13/15/1170411315.db2.gz IXYVAHOOCMKACO-VHSXEESVSA-N 2 2 197.282 0.490 20 0 ACADLP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+]C1(C)CC1 1348842692 1170505826 /nfs/dbraw/zinc/50/58/26/1170505826.db2.gz ZTEYRDSIFMRACX-VHSXEESVSA-N 2 2 198.310 0.896 20 0 ACADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]C1(C)CC1 1348842695 1170506143 /nfs/dbraw/zinc/50/61/43/1170506143.db2.gz ZTEYRDSIFMRACX-ZJUUUORDSA-N 2 2 198.310 0.896 20 0 ACADLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]C1(C)CC1 1348842690 1170506461 /nfs/dbraw/zinc/50/64/61/1170506461.db2.gz ZTEYRDSIFMRACX-UWVGGRQHSA-N 2 2 198.310 0.896 20 0 ACADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]C1(C)CC1 1348842687 1170507358 /nfs/dbraw/zinc/50/73/58/1170507358.db2.gz ZTEYRDSIFMRACX-NXEZZACHSA-N 2 2 198.310 0.896 20 0 ACADLP C[C@H](O)C[N@@H+]1[C@H]2CC[C@@H]1C[NH+](C)CC2 1460759855 1170579996 /nfs/dbraw/zinc/57/99/96/1170579996.db2.gz OQHOWSQZASGNAN-GARJFASQSA-N 2 2 198.310 0.536 20 0 ACADLP C[C@H](O)C[N@H+]1[C@H]2CC[C@@H]1C[NH+](C)CC2 1460759855 1170579997 /nfs/dbraw/zinc/57/99/97/1170579997.db2.gz OQHOWSQZASGNAN-GARJFASQSA-N 2 2 198.310 0.536 20 0 ACADLP C[C@H](O)C[NH+]1[C@H]2CC[C@@H]1C[N@H+](C)CC2 1460759855 1170580001 /nfs/dbraw/zinc/58/00/01/1170580001.db2.gz OQHOWSQZASGNAN-GARJFASQSA-N 2 2 198.310 0.536 20 0 ACADLP C[C@H](O)C[NH+]1[C@H]2CC[C@@H]1C[N@@H+](C)CC2 1460759855 1170580002 /nfs/dbraw/zinc/58/00/02/1170580002.db2.gz OQHOWSQZASGNAN-GARJFASQSA-N 2 2 198.310 0.536 20 0 ACADLP CC1(C)CCC[C@@H]1[NH2+][C@H]1C[NH2+]C[C@H]1O 1573610163 1170676143 /nfs/dbraw/zinc/67/61/43/1170676143.db2.gz ZIRJKAOOLZMRGN-AEJSXWLSSA-N 2 2 198.310 0.487 20 0 ACADLP C/C=C/C[C@H](CO)[NH2+][C@@H]1CCC[NH2+]C1 1573659740 1170675325 /nfs/dbraw/zinc/67/53/25/1170675325.db2.gz FIMFHEBXZMBNIY-WUNPDAOYSA-N 2 2 198.310 0.655 20 0 ACADLP C1C[NH2+]C[C@@H]([NH2+][C@@H]2C[C@@H]3CC[C@H]2O3)C1 1573307011 1170675480 /nfs/dbraw/zinc/67/54/80/1170675480.db2.gz FUWGJJQHVKRPHY-UKKRHICBSA-N 2 2 196.294 0.648 20 0 ACADLP C/C=C\C[C@H](CO)[NH2+][C@H]1CCC[NH2+]C1 1573659739 1170675734 /nfs/dbraw/zinc/67/57/34/1170675734.db2.gz FIMFHEBXZMBNIY-MMJBKMRYSA-N 2 2 198.310 0.655 20 0 ACADLP C[C@@H]([NH2+][C@H]1CC1(C)C)[C@H]1C[NH2+]CCO1 1573578595 1170675863 /nfs/dbraw/zinc/67/58/63/1170675863.db2.gz HZNHDEVKAONRMJ-BBBLOLIVSA-N 2 2 198.310 0.751 20 0 ACADLP CCCn1c[nH+]cc1CNC1C[NH2+]C1 1573764221 1170675902 /nfs/dbraw/zinc/67/59/02/1170675902.db2.gz DYRRVOQCZWVWCR-UHFFFAOYSA-N 2 2 194.282 0.355 20 0 ACADLP C/C=C\C[C@H](CO)[NH2+][C@@H]1CCC[NH2+]C1 1573659738 1170676070 /nfs/dbraw/zinc/67/60/70/1170676070.db2.gz FIMFHEBXZMBNIY-LVUHIJSRSA-N 2 2 198.310 0.655 20 0 ACADLP CCO[C@H]1C[C@@H]([NH2+][C@@H]2CCC[NH2+]C2)C1 1573801508 1170676464 /nfs/dbraw/zinc/67/64/64/1170676464.db2.gz YIKAFJBEVXVYOL-MXWKQRLJSA-N 2 2 198.310 0.896 20 0 ACADLP CC1(C)CCC[C@@H]1[NH2+][C@@H]1C[NH2+]C[C@H]1O 1573610256 1170676688 /nfs/dbraw/zinc/67/66/88/1170676688.db2.gz ZIRJKAOOLZMRGN-BBBLOLIVSA-N 2 2 198.310 0.487 20 0 ACADLP C[C@@H]([NH2+][C@H]1CC1(C)C)[C@@H]1C[NH2+]CCO1 1573578596 1170676860 /nfs/dbraw/zinc/67/68/60/1170676860.db2.gz HZNHDEVKAONRMJ-UTLUCORTSA-N 2 2 198.310 0.751 20 0 ACADLP CC1(C)CCC[C@H]1[NH2+][C@H]1C[NH2+]C[C@H]1O 1573610258 1170677010 /nfs/dbraw/zinc/67/70/10/1170677010.db2.gz ZIRJKAOOLZMRGN-IVZWLZJFSA-N 2 2 198.310 0.487 20 0 ACADLP CC1(C)CCC[C@H]1[NH2+][C@@H]1C[NH2+]C[C@H]1O 1573610260 1170677083 /nfs/dbraw/zinc/67/70/83/1170677083.db2.gz ZIRJKAOOLZMRGN-OPRDCNLKSA-N 2 2 198.310 0.487 20 0 ACADLP C/C=C/C[C@H](CO)[NH2+][C@H]1CCC[NH2+]C1 1573659741 1170677297 /nfs/dbraw/zinc/67/72/97/1170677297.db2.gz FIMFHEBXZMBNIY-ZROCKMJXSA-N 2 2 198.310 0.655 20 0 ACADLP CCO[C@H]1C[C@@H]([NH2+][C@H]2CCC[NH2+]C2)C1 1573801507 1170677485 /nfs/dbraw/zinc/67/74/85/1170677485.db2.gz YIKAFJBEVXVYOL-GARJFASQSA-N 2 2 198.310 0.896 20 0 ACADLP C1C[NH2+]C[C@H]([NH2+][C@@H]2C[C@@H]3CC[C@H]2O3)C1 1573307007 1170677687 /nfs/dbraw/zinc/67/76/87/1170677687.db2.gz FUWGJJQHVKRPHY-LMLFDSFASA-N 2 2 196.294 0.648 20 0 ACADLP COc1cncc(C[NH2+]CC[NH3+])c1C 1574051989 1170678603 /nfs/dbraw/zinc/67/86/03/1170678603.db2.gz AWAZPGXALDQDHY-UHFFFAOYSA-N 2 2 195.266 0.447 20 0 ACADLP C1COC[C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)C1 1574816638 1170685362 /nfs/dbraw/zinc/68/53/62/1170685362.db2.gz JXJIDTJFQBCDEU-CHWFTXMASA-N 2 2 196.294 0.648 20 0 ACADLP C1C[NH2+]C[C@@H]([NH2+][C@@H]2C[C@H]3CC[C@@H]2O3)C1 1574799863 1170681775 /nfs/dbraw/zinc/68/17/75/1170681775.db2.gz FUWGJJQHVKRPHY-ZDCRXTMVSA-N 2 2 196.294 0.648 20 0 ACADLP C1C[C@@H](C[NH+]2CC3(C[NH2+]C3)C2)CS1 1574774282 1170682485 /nfs/dbraw/zinc/68/24/85/1170682485.db2.gz KTKOAFCFCYJWKF-VIFPVBQESA-N 2 2 198.335 0.645 20 0 ACADLP C1C[C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)CO1 1574794201 1170682785 /nfs/dbraw/zinc/68/27/85/1170682785.db2.gz BEBVUBIDDJCWAL-XFWSIPNHSA-N 2 2 182.267 0.258 20 0 ACADLP C1C[NH2+]C[C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H]2O3)C1 1574799860 1170682805 /nfs/dbraw/zinc/68/28/05/1170682805.db2.gz FUWGJJQHVKRPHY-DBIOUOCHSA-N 2 2 196.294 0.648 20 0 ACADLP C1C[C@@H]([NH2+][C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)CO1 1574794198 1170682863 /nfs/dbraw/zinc/68/28/63/1170682863.db2.gz BEBVUBIDDJCWAL-DOLQZWNJSA-N 2 2 182.267 0.258 20 0 ACADLP C1C[C@H](C[NH+]2CC3(C[NH2+]C3)C2)CS1 1574774277 1170683613 /nfs/dbraw/zinc/68/36/13/1170683613.db2.gz KTKOAFCFCYJWKF-SECBINFHSA-N 2 2 198.335 0.645 20 0 ACADLP C1COC[C@@H]([NH2+][C@H]2C[C@H]3CC[C@@H]2[NH2+]3)C1 1574816640 1170684630 /nfs/dbraw/zinc/68/46/30/1170684630.db2.gz JXJIDTJFQBCDEU-RCWTZXSCSA-N 2 2 196.294 0.648 20 0 ACADLP C1COC[C@H]([NH2+][C@H]2C[C@H]3CC[C@@H]2[NH2+]3)C1 1574816643 1170684640 /nfs/dbraw/zinc/68/46/40/1170684640.db2.gz JXJIDTJFQBCDEU-ZNSHCXBVSA-N 2 2 196.294 0.648 20 0 ACADLP C1COC[C@@H]([NH2+][C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)C1 1574816641 1170685231 /nfs/dbraw/zinc/68/52/31/1170685231.db2.gz JXJIDTJFQBCDEU-VPOLOUISSA-N 2 2 196.294 0.648 20 0 ACADLP C1C[C@H]2[NH2+]CC[C@@]2([NH2+][C@@H]2CCOC2)C1 1574817307 1170685447 /nfs/dbraw/zinc/68/54/47/1170685447.db2.gz XYEOTWWCGILQLU-MXWKQRLJSA-N 2 2 196.294 0.650 20 0 ACADLP C=Cn1cc(C[NH2+]C(C)(C)C[NH3+])cn1 1574962634 1170685553 /nfs/dbraw/zinc/68/55/53/1170685553.db2.gz NGYGUZQTRMWIGW-UHFFFAOYSA-N 2 2 194.282 0.811 20 0 ACADLP C1C[C@H]2[NH2+]CC[C@@]2([NH2+][C@H]2CCOC2)C1 1574817306 1170686153 /nfs/dbraw/zinc/68/61/53/1170686153.db2.gz XYEOTWWCGILQLU-AXFHLTTASA-N 2 2 196.294 0.650 20 0 ACADLP C1C[C@@H]2C[N@@H+](C[C@H]3CCOC3)[C@@H]2C[NH2+]1 1574817197 1170686213 /nfs/dbraw/zinc/68/62/13/1170686213.db2.gz SUHMRFOBNFNULU-GMTAPVOTSA-N 2 2 196.294 0.317 20 0 ACADLP C1C[C@@H]2C[N@H+](C[C@H]3CCOC3)[C@@H]2C[NH2+]1 1574817197 1170686216 /nfs/dbraw/zinc/68/62/16/1170686216.db2.gz SUHMRFOBNFNULU-GMTAPVOTSA-N 2 2 196.294 0.317 20 0 ACADLP C1C[C@@H]2C[N@@H+](C[C@@H]3CCOC3)[C@@H]2C[NH2+]1 1574817198 1170686225 /nfs/dbraw/zinc/68/62/25/1170686225.db2.gz SUHMRFOBNFNULU-HBNTYKKESA-N 2 2 196.294 0.317 20 0 ACADLP C1C[C@@H]2C[N@H+](C[C@@H]3CCOC3)[C@@H]2C[NH2+]1 1574817198 1170686231 /nfs/dbraw/zinc/68/62/31/1170686231.db2.gz SUHMRFOBNFNULU-HBNTYKKESA-N 2 2 196.294 0.317 20 0 ACADLP CC(C)(C)[NH2+]CC[NH2+][C@@H]1CC[C@H]1O 1575149005 1170687187 /nfs/dbraw/zinc/68/71/87/1170687187.db2.gz DDPLCGPTBKEDSC-RKDXNWHRSA-N 2 2 186.299 0.487 20 0 ACADLP CC(C)[C@@](C)(C[NH3+])[NH2+]CC1=NOCC1 1575410574 1170687939 /nfs/dbraw/zinc/68/79/39/1170687939.db2.gz SWODEPNDORVGIJ-SNVBAGLBSA-N 2 2 199.298 0.726 20 0 ACADLP CC(C)[C@](C)(C[NH3+])[NH2+]CC1=NOCC1 1575410573 1170688994 /nfs/dbraw/zinc/68/89/94/1170688994.db2.gz SWODEPNDORVGIJ-JTQLQIEISA-N 2 2 199.298 0.726 20 0 ACADLP CC(C)(O)CC[N@@H+]1CC[C@H]2C[NH2+]C[C@H]21 1575379788 1170689399 /nfs/dbraw/zinc/68/93/99/1170689399.db2.gz LFKRBDRSOWPKQQ-VHSXEESVSA-N 2 2 198.310 0.441 20 0 ACADLP CC(C)(O)CC[N@H+]1CC[C@H]2C[NH2+]C[C@H]21 1575379788 1170689400 /nfs/dbraw/zinc/68/94/00/1170689400.db2.gz LFKRBDRSOWPKQQ-VHSXEESVSA-N 2 2 198.310 0.441 20 0 ACADLP CC(C)(C[NH3+])[NH2+]Cc1cccnc1N 1575318647 1170689569 /nfs/dbraw/zinc/68/95/69/1170689569.db2.gz XFCCQBSKTWQVFP-UHFFFAOYSA-N 2 2 194.282 0.491 20 0 ACADLP C[C@H]([NH3+])[C@H](C)[NH2+]Cc1cccnc1N 1576103081 1170693008 /nfs/dbraw/zinc/69/30/08/1170693008.db2.gz KGYLYUPEJSJILK-YUMQZZPRSA-N 2 2 194.282 0.489 20 0 ACADLP C[C@H]([NH3+])C[N@@H+]1CC[C@@H]2[C@H](C1)C2(F)F 1576156839 1170693038 /nfs/dbraw/zinc/69/30/38/1170693038.db2.gz KZISDZDCWKVYGK-RNJXMRFFSA-N 2 2 190.237 0.921 20 0 ACADLP C[C@H]([NH3+])C[N@H+]1CC[C@@H]2[C@H](C1)C2(F)F 1576156839 1170693040 /nfs/dbraw/zinc/69/30/40/1170693040.db2.gz KZISDZDCWKVYGK-RNJXMRFFSA-N 2 2 190.237 0.921 20 0 ACADLP C[C@@H](Cc1ccno1)[NH2+]C[C@@H]1CC[NH2+]1 1576066102 1170693120 /nfs/dbraw/zinc/69/31/20/1170693120.db2.gz JYAGLRHCCNESMV-IUCAKERBSA-N 2 2 195.266 0.557 20 0 ACADLP C[C@H](Cc1ccno1)[NH2+]C[C@@H]1CC[NH2+]1 1576066100 1170693315 /nfs/dbraw/zinc/69/33/15/1170693315.db2.gz JYAGLRHCCNESMV-BDAKNGLRSA-N 2 2 195.266 0.557 20 0 ACADLP C[C@H](Cc1ccno1)[NH2+][C@@H]1CC[NH2+]C1 1576067228 1170693325 /nfs/dbraw/zinc/69/33/25/1170693325.db2.gz WJVPTNCUIKZEGD-RKDXNWHRSA-N 2 2 195.266 0.557 20 0 ACADLP C[C@@H](Cc1ccno1)[NH2+][C@@H]1CC[NH2+]C1 1576067225 1170693559 /nfs/dbraw/zinc/69/35/59/1170693559.db2.gz WJVPTNCUIKZEGD-DTWKUNHWSA-N 2 2 195.266 0.557 20 0 ACADLP C[C@H]([NH3+])C[N@@H+]1CC[C@H]2[C@@H](C1)C2(F)F 1576156837 1170693694 /nfs/dbraw/zinc/69/36/94/1170693694.db2.gz KZISDZDCWKVYGK-BIIVOSGPSA-N 2 2 190.237 0.921 20 0 ACADLP C[C@H]([NH3+])C[N@H+]1CC[C@H]2[C@@H](C1)C2(F)F 1576156837 1170693696 /nfs/dbraw/zinc/69/36/96/1170693696.db2.gz KZISDZDCWKVYGK-BIIVOSGPSA-N 2 2 190.237 0.921 20 0 ACADLP C[C@H]([NH2+]Cc1cccnc1N)[C@@H](C)[NH3+] 1576103078 1170693712 /nfs/dbraw/zinc/69/37/12/1170693712.db2.gz KGYLYUPEJSJILK-SFYZADRCSA-N 2 2 194.282 0.489 20 0 ACADLP C[C@@H]([NH3+])C[N@H+](C)Cc1cc[nH]c(=O)c1 1576150056 1170693755 /nfs/dbraw/zinc/69/37/55/1170693755.db2.gz SLIQPFRGOPBFMU-MRVPVSSYSA-N 2 2 195.266 0.566 20 0 ACADLP C[C@@H]([NH3+])C[N@@H+](C)Cc1cc[nH]c(=O)c1 1576150056 1170693759 /nfs/dbraw/zinc/69/37/59/1170693759.db2.gz SLIQPFRGOPBFMU-MRVPVSSYSA-N 2 2 195.266 0.566 20 0 ACADLP C[C@@H](Cc1ccno1)[NH2+]C[C@H]1CC[NH2+]1 1576066101 1170693900 /nfs/dbraw/zinc/69/39/00/1170693900.db2.gz JYAGLRHCCNESMV-DTWKUNHWSA-N 2 2 195.266 0.557 20 0 ACADLP C[C@H]([NH3+])[C@@H](C)[NH2+]Cc1cccnc1N 1576103077 1170693976 /nfs/dbraw/zinc/69/39/76/1170693976.db2.gz KGYLYUPEJSJILK-JGVFFNPUSA-N 2 2 194.282 0.489 20 0 ACADLP C[C@@H]([NH3+])[C@@H](C)[NH2+]Cc1cccnc1N 1576103074 1170694252 /nfs/dbraw/zinc/69/42/52/1170694252.db2.gz KGYLYUPEJSJILK-HTQZYQBOSA-N 2 2 194.282 0.489 20 0 ACADLP C[C@](C[NH3+])([NH2+]CC1=NOCC1)C1CC1 1575976509 1170694675 /nfs/dbraw/zinc/69/46/75/1170694675.db2.gz WFGSPCDZEJYCHL-SNVBAGLBSA-N 2 2 197.282 0.480 20 0 ACADLP C[C@H](Cc1ccno1)[NH2+]C[C@H]1CC[NH2+]1 1576066103 1170694926 /nfs/dbraw/zinc/69/49/26/1170694926.db2.gz JYAGLRHCCNESMV-RKDXNWHRSA-N 2 2 195.266 0.557 20 0 ACADLP C[C@@](C[NH3+])([NH2+]CC1=NOCC1)C1CC1 1575976508 1170695094 /nfs/dbraw/zinc/69/50/94/1170695094.db2.gz WFGSPCDZEJYCHL-JTQLQIEISA-N 2 2 197.282 0.480 20 0 ACADLP 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C[C@H](O)[C@@H](C)[N@@H+](C)C[C@@H]1CC[NH2+]1 1576264943 1170698662 /nfs/dbraw/zinc/69/86/62/1170698662.db2.gz MSOYXNZGHUWKCE-VGMNWLOBSA-N 2 2 172.272 0.049 20 0 ACADLP C[C@@H](O)CCC[N@@H+]1CC[C@H]2C[NH2+]C[C@H]21 1576273066 1170698687 /nfs/dbraw/zinc/69/86/87/1170698687.db2.gz SBZVBZQKVHAOIV-OUAUKWLOSA-N 2 2 198.310 0.441 20 0 ACADLP C[C@@H](O)CCC[N@H+]1CC[C@H]2C[NH2+]C[C@H]21 1576273066 1170698693 /nfs/dbraw/zinc/69/86/93/1170698693.db2.gz SBZVBZQKVHAOIV-OUAUKWLOSA-N 2 2 198.310 0.441 20 0 ACADLP CC1(C)[C@@H]([NH2+]CC2=NOCC2)C[C@H]1[NH3+] 1576381772 1170698900 /nfs/dbraw/zinc/69/89/00/1170698900.db2.gz GBYRPRIVYROFOO-BDAKNGLRSA-N 2 2 197.282 0.478 20 0 ACADLP CC1(C)CC([NH2+][C@@H]2C[NH2+]CCOC2)C1 1576394839 1170698982 /nfs/dbraw/zinc/69/89/82/1170698982.db2.gz SSTSOFFRFRYEBA-SNVBAGLBSA-N 2 2 198.310 0.753 20 0 ACADLP C[C@@H](O)CC[N@H+]1CC[C@H]2C[NH2+]C[C@H]21 1576271204 1170699173 /nfs/dbraw/zinc/69/91/73/1170699173.db2.gz CNXDEJAYRONZOS-KXUCPTDWSA-N 2 2 184.283 0.051 20 0 ACADLP 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/nfs/dbraw/zinc/71/44/86/1170714486.db2.gz OINXIZZUBUTIRG-LMLFDSFASA-N 2 2 198.310 0.751 20 0 ACADLP CCCC[C@H](C)[NH2+]CC1(O)C[NH2+]C1 1577387958 1170715123 /nfs/dbraw/zinc/71/51/23/1170715123.db2.gz COXAEFGZNASTMG-VIFPVBQESA-N 2 2 186.299 0.489 20 0 ACADLP CCCn1cncc1C[NH2+]C[C@@H](C)[NH3+] 1577625049 1170715611 /nfs/dbraw/zinc/71/56/11/1170715611.db2.gz XRBGUDCGKNEGRY-SECBINFHSA-N 2 2 196.298 0.730 20 0 ACADLP CCC[C@H](O)C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]21 1577369256 1170715974 /nfs/dbraw/zinc/71/59/74/1170715974.db2.gz PGHRZQSGAFHRKB-GARJFASQSA-N 2 2 198.310 0.441 20 0 ACADLP CCC[C@H](O)C[N@H+]1CC[C@H]2C[NH2+]C[C@H]21 1577369256 1170715982 /nfs/dbraw/zinc/71/59/82/1170715982.db2.gz PGHRZQSGAFHRKB-GARJFASQSA-N 2 2 198.310 0.441 20 0 ACADLP CCCC[C@@H](C)[NH2+]CC1(O)C[NH2+]C1 1577387957 1170716230 /nfs/dbraw/zinc/71/62/30/1170716230.db2.gz COXAEFGZNASTMG-SECBINFHSA-N 2 2 186.299 0.489 20 0 ACADLP CCCn1cncc1C[NH2+]C[C@H](C)[NH3+] 1577625050 1170716540 /nfs/dbraw/zinc/71/65/40/1170716540.db2.gz XRBGUDCGKNEGRY-VIFPVBQESA-N 2 2 196.298 0.730 20 0 ACADLP CCC[C@@H](O)C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]21 1577369257 1170717481 /nfs/dbraw/zinc/71/74/81/1170717481.db2.gz PGHRZQSGAFHRKB-HBNTYKKESA-N 2 2 198.310 0.441 20 0 ACADLP CCC[C@@H](O)C[N@H+]1CC[C@H]2C[NH2+]C[C@H]21 1577369257 1170717483 /nfs/dbraw/zinc/71/74/83/1170717483.db2.gz PGHRZQSGAFHRKB-HBNTYKKESA-N 2 2 198.310 0.441 20 0 ACADLP CCN1CCC[C@@H]([NH2+]C(C)(C)C[NH3+])C1 1577771425 1170718010 /nfs/dbraw/zinc/71/80/10/1170718010.db2.gz XRXYEFVOIPYMHU-SNVBAGLBSA-N 2 2 199.342 0.798 20 0 ACADLP CCO[C@@]1(C)C[C@H]1[NH2+][C@H]1CCC[NH2+]C1 1578161689 1170718056 /nfs/dbraw/zinc/71/80/56/1170718056.db2.gz VVHNYMYVRUOCGR-AXFHLTTASA-N 2 2 198.310 0.896 20 0 ACADLP CCOC(=O)CCC[N@H+](C)CC[NH3+] 1577945976 1170718233 /nfs/dbraw/zinc/71/82/33/1170718233.db2.gz QXMRCXZZRISJJH-UHFFFAOYSA-N 2 2 188.271 0.220 20 0 ACADLP CCOC(=O)CCC[N@@H+](C)CC[NH3+] 1577945976 1170718238 /nfs/dbraw/zinc/71/82/38/1170718238.db2.gz QXMRCXZZRISJJH-UHFFFAOYSA-N 2 2 188.271 0.220 20 0 ACADLP CCN1CCC[C@H]([NH2+]C(C)(C)C[NH3+])C1 1577771424 1170720047 /nfs/dbraw/zinc/72/00/47/1170720047.db2.gz XRXYEFVOIPYMHU-JTQLQIEISA-N 2 2 199.342 0.798 20 0 ACADLP CCN1CCC[C@@H]([NH2+]CC2([NH3+])CC2)C1 1577770417 1170720267 /nfs/dbraw/zinc/72/02/67/1170720267.db2.gz HUDKPWUBIYTKNX-SNVBAGLBSA-N 2 2 197.326 0.552 20 0 ACADLP CCO[C@@]1(C)C[C@H]1[NH2+][C@@H]1CCC[NH2+]C1 1578161690 1170720341 /nfs/dbraw/zinc/72/03/41/1170720341.db2.gz VVHNYMYVRUOCGR-MXWKQRLJSA-N 2 2 198.310 0.896 20 0 ACADLP CCN1CCC[C@H]([NH2+]CC2([NH3+])CC2)C1 1577770416 1170720377 /nfs/dbraw/zinc/72/03/77/1170720377.db2.gz HUDKPWUBIYTKNX-JTQLQIEISA-N 2 2 197.326 0.552 20 0 ACADLP CC[C@H]1[NH2+]CC[C@@H]1[NH2+][C@@H]1CCOC1 1578241622 1170721885 /nfs/dbraw/zinc/72/18/85/1170721885.db2.gz FGMVXXGOJRFREW-BBBLOLIVSA-N 2 2 184.283 0.505 20 0 ACADLP CCn1c[nH+]cc1CNC1(C)C[NH2+]C1 1578357015 1170721935 /nfs/dbraw/zinc/72/19/35/1170721935.db2.gz KXCGRBWRJBBXQH-UHFFFAOYSA-N 2 2 194.282 0.355 20 0 ACADLP CC[C@@H]1OCC[C@H]1[NH2+][C@H]1CCC[NH2+]C1 1578229255 1170722030 /nfs/dbraw/zinc/72/20/30/1170722030.db2.gz ZTMGTVTXURIRJA-AXFHLTTASA-N 2 2 198.310 0.896 20 0 ACADLP CC[C@H]1[NH2+]CC[C@@H]1[NH2+][C@H]1CCOC1 1578241621 1170722134 /nfs/dbraw/zinc/72/21/34/1170722134.db2.gz FGMVXXGOJRFREW-AEJSXWLSSA-N 2 2 184.283 0.505 20 0 ACADLP CCn1cncc1C[NH2+]C(C)(C)C[NH3+] 1578357293 1170722711 /nfs/dbraw/zinc/72/27/11/1170722711.db2.gz RQUPIRUSWUFOSQ-UHFFFAOYSA-N 2 2 196.298 0.730 20 0 ACADLP CCc1cn(C[C@H]2C[NH2+]CCO2)c[nH+]1 1578281925 1170723081 /nfs/dbraw/zinc/72/30/81/1170723081.db2.gz AVOJSVQXSNCTGP-SNVBAGLBSA-N 2 2 195.266 0.434 20 0 ACADLP CCn1nccc1C[NH2+]C(C)(C)C[NH3+] 1578365301 1170723433 /nfs/dbraw/zinc/72/34/33/1170723433.db2.gz MTAGTLVNBFSERJ-UHFFFAOYSA-N 2 2 196.298 0.730 20 0 ACADLP CCn1cnc(C[NH2+][C@H]2C[C@@H]([NH3+])C2)c1 1578356928 1170723462 /nfs/dbraw/zinc/72/34/62/1170723462.db2.gz JSAICFKUIDINJZ-DTORHVGOSA-N 2 2 194.282 0.482 20 0 ACADLP CCn1ccc(C[NH2+][C@H]2C[C@@H]([NH3+])C2)n1 1578353408 1170723473 /nfs/dbraw/zinc/72/34/73/1170723473.db2.gz GCYQFRNOGMZDOH-WAAGHKOSSA-N 2 2 194.282 0.482 20 0 ACADLP CC[C@H]1[NH2+]CC[C@@H]1[NH2+][C@H](C)COC 1578241665 1170723630 /nfs/dbraw/zinc/72/36/30/1170723630.db2.gz HKLWLUPLTIZLCZ-BBBLOLIVSA-N 2 2 186.299 0.751 20 0 ACADLP CC[C@H]1[NH2+]CC[C@@H]1[NH2+][C@@H](C)COC 1578241664 1170723641 /nfs/dbraw/zinc/72/36/41/1170723641.db2.gz HKLWLUPLTIZLCZ-AEJSXWLSSA-N 2 2 186.299 0.751 20 0 ACADLP CCn1ccc(C[NH2+][C@H]2C[C@H]([NH3+])C2)n1 1578353407 1170723875 /nfs/dbraw/zinc/72/38/75/1170723875.db2.gz GCYQFRNOGMZDOH-CZMCAQCFSA-N 2 2 194.282 0.482 20 0 ACADLP CCc1cn(C[C@@H]2C[NH2+]CCO2)c[nH+]1 1578281924 1170724099 /nfs/dbraw/zinc/72/40/99/1170724099.db2.gz AVOJSVQXSNCTGP-JTQLQIEISA-N 2 2 195.266 0.434 20 0 ACADLP CC[C@@H]1OCC[C@H]1[NH2+][C@@H]1CCC[NH2+]C1 1578229256 1170724300 /nfs/dbraw/zinc/72/43/00/1170724300.db2.gz ZTMGTVTXURIRJA-MXWKQRLJSA-N 2 2 198.310 0.896 20 0 ACADLP C[N@H+](C[C@H]1CC[NH2+]1)CC(C)(C)O 1578455071 1170725023 /nfs/dbraw/zinc/72/50/23/1170725023.db2.gz BCMQRCGYVDLHIY-MRVPVSSYSA-N 2 2 172.272 0.051 20 0 ACADLP C[N@@H+](C[C@H]1CC[NH2+]1)CC(C)(C)O 1578455071 1170725029 /nfs/dbraw/zinc/72/50/29/1170725029.db2.gz BCMQRCGYVDLHIY-MRVPVSSYSA-N 2 2 172.272 0.051 20 0 ACADLP C[N@H+](C[C@H]1CC[NH2+]1)CC1(O)CCC1 1578456616 1170725444 /nfs/dbraw/zinc/72/54/44/1170725444.db2.gz RAYUDSWOAHDCKQ-SECBINFHSA-N 2 2 184.283 0.195 20 0 ACADLP C[N@@H+](C[C@H]1CC[NH2+]1)CC1(O)CCC1 1578456616 1170725449 /nfs/dbraw/zinc/72/54/49/1170725449.db2.gz RAYUDSWOAHDCKQ-SECBINFHSA-N 2 2 184.283 0.195 20 0 ACADLP C[N@H+](CC[NH3+])C[C@@]1(C)CCCCO1 1578470822 1170725613 /nfs/dbraw/zinc/72/56/13/1170725613.db2.gz AVEPDIALJSFCIK-SNVBAGLBSA-N 2 2 186.299 0.836 20 0 ACADLP C[N@@H+](CC[NH3+])C[C@@]1(C)CCCCO1 1578470822 1170725615 /nfs/dbraw/zinc/72/56/15/1170725615.db2.gz AVEPDIALJSFCIK-SNVBAGLBSA-N 2 2 186.299 0.836 20 0 ACADLP C[N@H+](C[C@@H]1CC[NH2+]1)CC(C)(C)O 1578455072 1170726005 /nfs/dbraw/zinc/72/60/05/1170726005.db2.gz BCMQRCGYVDLHIY-QMMMGPOBSA-N 2 2 172.272 0.051 20 0 ACADLP C[N@@H+](C[C@@H]1CC[NH2+]1)CC(C)(C)O 1578455072 1170726007 /nfs/dbraw/zinc/72/60/07/1170726007.db2.gz BCMQRCGYVDLHIY-QMMMGPOBSA-N 2 2 172.272 0.051 20 0 ACADLP C[N@H+](CC[NH3+])C[C@]1(C)CCCCO1 1578470821 1170726175 /nfs/dbraw/zinc/72/61/75/1170726175.db2.gz AVEPDIALJSFCIK-JTQLQIEISA-N 2 2 186.299 0.836 20 0 ACADLP C[N@@H+](CC[NH3+])C[C@]1(C)CCCCO1 1578470821 1170726181 /nfs/dbraw/zinc/72/61/81/1170726181.db2.gz AVEPDIALJSFCIK-JTQLQIEISA-N 2 2 186.299 0.836 20 0 ACADLP C[N@H+](CC1=NOCC1)CC(C)(C)C[NH3+] 1578445090 1170726261 /nfs/dbraw/zinc/72/62/61/1170726261.db2.gz GEANLAZQKOURNS-UHFFFAOYSA-N 2 2 199.298 0.679 20 0 ACADLP C[N@@H+](CC1=NOCC1)CC(C)(C)C[NH3+] 1578445090 1170726264 /nfs/dbraw/zinc/72/62/64/1170726264.db2.gz GEANLAZQKOURNS-UHFFFAOYSA-N 2 2 199.298 0.679 20 0 ACADLP C[N@H+](C[C@@H]1CC[NH2+]1)CC1(O)CCC1 1578456617 1170726456 /nfs/dbraw/zinc/72/64/56/1170726456.db2.gz RAYUDSWOAHDCKQ-VIFPVBQESA-N 2 2 184.283 0.195 20 0 ACADLP C[N@@H+](C[C@@H]1CC[NH2+]1)CC1(O)CCC1 1578456617 1170726464 /nfs/dbraw/zinc/72/64/64/1170726464.db2.gz RAYUDSWOAHDCKQ-VIFPVBQESA-N 2 2 184.283 0.195 20 0 ACADLP C[NH2+]C[C@H](C)[NH2+][C@H](C)Cc1ccno1 1578638290 1170727305 /nfs/dbraw/zinc/72/73/05/1170727305.db2.gz JSENKPUKFPFZSK-BDAKNGLRSA-N 2 2 197.282 0.803 20 0 ACADLP C[NH2+]C[C@@H](C)C[NH2+]Cc1ccn(C)n1 1578627944 1170727351 /nfs/dbraw/zinc/72/73/51/1170727351.db2.gz YITLZKVRKGRQGD-SECBINFHSA-N 2 2 196.298 0.365 20 0 ACADLP C[NH2+]C[C@@H]1CC[N@H+](CC2=NOCC2)C1 1578663819 1170727533 /nfs/dbraw/zinc/72/75/33/1170727533.db2.gz IBXLCAPNTFDKEC-VIFPVBQESA-N 2 2 197.282 0.304 20 0 ACADLP C[NH2+]C[C@@H]1CC[N@@H+](CC2=NOCC2)C1 1578663819 1170727540 /nfs/dbraw/zinc/72/75/40/1170727540.db2.gz IBXLCAPNTFDKEC-VIFPVBQESA-N 2 2 197.282 0.304 20 0 ACADLP CO[C@H](C)C[NH2+][C@@H]1C[NH2+]CC1(C)C 1578903908 1170727559 /nfs/dbraw/zinc/72/75/59/1170727559.db2.gz WHYXBTQGMUOTGP-RKDXNWHRSA-N 2 2 186.299 0.609 20 0 ACADLP COC(=O)[C@H](C)[NH2+]C1CC2(C1)C[C@@H]2[NH3+] 1578846131 1170727573 /nfs/dbraw/zinc/72/75/73/1170727573.db2.gz VCTJGYMTPLIBNW-XWDWJLIRSA-N 2 2 198.266 0.017 20 0 ACADLP CO[C@@H](C)C[NH2+][C@@H]1C[NH2+]CC1(C)C 1578903905 1170728039 /nfs/dbraw/zinc/72/80/39/1170728039.db2.gz WHYXBTQGMUOTGP-DTWKUNHWSA-N 2 2 186.299 0.609 20 0 ACADLP CO[C@@H](C)C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]21 1578904418 1170728050 /nfs/dbraw/zinc/72/80/50/1170728050.db2.gz YNWBBNJOJOIKIP-LPEHRKFASA-N 2 2 184.283 0.315 20 0 ACADLP CO[C@@H](C)C[N@H+]1CC[C@H]2C[NH2+]C[C@H]21 1578904418 1170728056 /nfs/dbraw/zinc/72/80/56/1170728056.db2.gz YNWBBNJOJOIKIP-LPEHRKFASA-N 2 2 184.283 0.315 20 0 ACADLP CO[C@H](C)C[NH2+][C@H]1C[NH2+]CC1(C)C 1578903903 1170728247 /nfs/dbraw/zinc/72/82/47/1170728247.db2.gz WHYXBTQGMUOTGP-BDAKNGLRSA-N 2 2 186.299 0.609 20 0 ACADLP CO[C@H](C)C[NH2+][C@H]1C[C@H]2CC[C@@H]1[NH2+]2 1578899984 1170728465 /nfs/dbraw/zinc/72/84/65/1170728465.db2.gz BDQNODDAUUXEBB-IMSYWVGJSA-N 2 2 184.283 0.504 20 0 ACADLP C[NH2+]C[C@H](C)C[NH2+]Cc1ccn(C)n1 1578627945 1170728599 /nfs/dbraw/zinc/72/85/99/1170728599.db2.gz YITLZKVRKGRQGD-VIFPVBQESA-N 2 2 196.298 0.365 20 0 ACADLP C[NH2+]CC[N@H+](C)CC12COC(C)(C1)C2 1578703829 1170728624 /nfs/dbraw/zinc/72/86/24/1170728624.db2.gz BUZWGUWWPVMHNG-UHFFFAOYSA-N 2 2 198.310 0.707 20 0 ACADLP C[NH2+]CC[N@@H+](C)CC12COC(C)(C1)C2 1578703829 1170728630 /nfs/dbraw/zinc/72/86/30/1170728630.db2.gz BUZWGUWWPVMHNG-UHFFFAOYSA-N 2 2 198.310 0.707 20 0 ACADLP CO[C@@H](C)C[NH2+][C@H]1C[NH2+]CC1(C)C 1578903906 1170728672 /nfs/dbraw/zinc/72/86/72/1170728672.db2.gz WHYXBTQGMUOTGP-IUCAKERBSA-N 2 2 186.299 0.609 20 0 ACADLP CO[C@@H](C)C[NH2+][C@H]1C[C@H]2CC[C@@H]1[NH2+]2 1578899985 1170728840 /nfs/dbraw/zinc/72/88/40/1170728840.db2.gz BDQNODDAUUXEBB-JXUBOQSCSA-N 2 2 184.283 0.504 20 0 ACADLP C[NH2+]C[C@H]1CC[N@H+](CC2=NOCC2)C1 1578663818 1170728904 /nfs/dbraw/zinc/72/89/04/1170728904.db2.gz IBXLCAPNTFDKEC-SECBINFHSA-N 2 2 197.282 0.304 20 0 ACADLP C[NH2+]C[C@H]1CC[N@@H+](CC2=NOCC2)C1 1578663818 1170728906 /nfs/dbraw/zinc/72/89/06/1170728906.db2.gz IBXLCAPNTFDKEC-SECBINFHSA-N 2 2 197.282 0.304 20 0 ACADLP CO[C@@H](C)C[NH2+][C@@H]1C[NH2+]C[C@H]1C 1578903324 1170728963 /nfs/dbraw/zinc/72/89/63/1170728963.db2.gz VIIKPKVYHJXEHC-HRDYMLBCSA-N 2 2 172.272 0.219 20 0 ACADLP CO[C@@H](C)C[NH2+][C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 1578899986 1170729278 /nfs/dbraw/zinc/72/92/78/1170729278.db2.gz BDQNODDAUUXEBB-QCLAVDOMSA-N 2 2 184.283 0.504 20 0 ACADLP CO[C@H](C)C[NH2+][C@@H]1C[NH2+]C[C@H]1C 1578903325 1170729307 /nfs/dbraw/zinc/72/93/07/1170729307.db2.gz VIIKPKVYHJXEHC-IWSPIJDZSA-N 2 2 172.272 0.219 20 0 ACADLP COC(=O)[C@H](C)[NH2+]C1CC2(C1)C[C@H]2[NH3+] 1578846130 1170729340 /nfs/dbraw/zinc/72/93/40/1170729340.db2.gz VCTJGYMTPLIBNW-GHEZPCSUSA-N 2 2 198.266 0.017 20 0 ACADLP C[NH2+]C[C@H](C)[NH2+][C@@H](C)Cc1ccno1 1578638292 1170729478 /nfs/dbraw/zinc/72/94/78/1170729478.db2.gz JSENKPUKFPFZSK-IUCAKERBSA-N 2 2 197.282 0.803 20 0 ACADLP C[NH2+]C[C@@H](C)[NH2+][C@H](C)Cc1ccno1 1578638293 1170729694 /nfs/dbraw/zinc/72/96/94/1170729694.db2.gz JSENKPUKFPFZSK-RKDXNWHRSA-N 2 2 197.282 0.803 20 0 ACADLP CO[C@H](C)C[NH2+][C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 1578899983 1170729851 /nfs/dbraw/zinc/72/98/51/1170729851.db2.gz BDQNODDAUUXEBB-DOLQZWNJSA-N 2 2 184.283 0.504 20 0 ACADLP CO[C@H](C)C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]21 1578904417 1170729906 /nfs/dbraw/zinc/72/99/06/1170729906.db2.gz YNWBBNJOJOIKIP-KXUCPTDWSA-N 2 2 184.283 0.315 20 0 ACADLP CO[C@H](C)C[N@H+]1CC[C@H]2C[NH2+]C[C@H]21 1578904417 1170729911 /nfs/dbraw/zinc/72/99/11/1170729911.db2.gz YNWBBNJOJOIKIP-KXUCPTDWSA-N 2 2 184.283 0.315 20 0 ACADLP C[NH2+]C[C@@H](C)[NH2+][C@@H](C)Cc1ccno1 1578638291 1170729924 /nfs/dbraw/zinc/72/99/24/1170729924.db2.gz JSENKPUKFPFZSK-DTWKUNHWSA-N 2 2 197.282 0.803 20 0 ACADLP CO[C@@H]1C[NH2+]C[C@H]1[NH2+][C@H]1CC[C@H]1C 1579123680 1170730209 /nfs/dbraw/zinc/73/02/09/1170730209.db2.gz QXJXERNVCXLVBO-UTINFBMNSA-N 2 2 184.283 0.361 20 0 ACADLP CO[C@@H]1C[NH2+]C[C@H]1[NH2+][C@@H](C)C1CCC1 1579123177 1170730324 /nfs/dbraw/zinc/73/03/24/1170730324.db2.gz JUXFICJRWRYNII-JMJZKYOTSA-N 2 2 198.310 0.751 20 0 ACADLP CO[C@@H]1C[NH2+]C[C@H]1[NH2+][C@H]1CCC[C@H]1C 1579124005 1170730600 /nfs/dbraw/zinc/73/06/00/1170730600.db2.gz XZAFYTLPQJFHGM-LMLFDSFASA-N 2 2 198.310 0.751 20 0 ACADLP CO[C@@H]1C[NH2+]C[C@H]1[NH2+][C@H]1CCC[C@@H]1C 1579124007 1170730861 /nfs/dbraw/zinc/73/08/61/1170730861.db2.gz XZAFYTLPQJFHGM-UKKRHICBSA-N 2 2 198.310 0.751 20 0 ACADLP COC[C@H](C)[NH2+][C@H]1CC[NH2+][C@@H]1C 1578961008 1170730872 /nfs/dbraw/zinc/73/08/72/1170730872.db2.gz SBTLYEPNKFTSSM-YIZRAAEISA-N 2 2 172.272 0.361 20 0 ACADLP CO[C@@H](C[NH2+][C@H]1CC[NH2+][C@@H]1C)C1CC1 1578912792 1170730990 /nfs/dbraw/zinc/73/09/90/1170730990.db2.gz MIPWPWSUTBRWFW-MIMYLULJSA-N 2 2 198.310 0.751 20 0 ACADLP CO[C@@H]1C[NH2+]C[C@H]1[NH2+][C@@H]1CC[C@@H](C)C1 1579123168 1170731259 /nfs/dbraw/zinc/73/12/59/1170731259.db2.gz JQWVYTYHODAETI-GWOFURMSSA-N 2 2 198.310 0.751 20 0 ACADLP CO[C@@H]1C[NH2+]C[C@H]1[NH2+]C1CCCCC1 1579124052 1170731342 /nfs/dbraw/zinc/73/13/42/1170731342.db2.gz ZKFMKANTYRKLHH-GHMZBOCLSA-N 2 2 198.310 0.896 20 0 ACADLP CO[C@@H]1C[NH2+]C[C@H]1[NH2+][C@H](C)CC1CC1 1579122762 1170731431 /nfs/dbraw/zinc/73/14/31/1170731431.db2.gz AAYOPERHSGEDLC-FBIMIBRVSA-N 2 2 198.310 0.751 20 0 ACADLP CO[C@@H]1C[NH2+]C[C@H]1[NH2+][C@H](C)C1CCC1 1579123176 1170731567 /nfs/dbraw/zinc/73/15/67/1170731567.db2.gz JUXFICJRWRYNII-FBIMIBRVSA-N 2 2 198.310 0.751 20 0 ACADLP CO[C@@H]1C[NH2+]C[C@H]1[NH2+][C@H]1CC[C@@H](C)C1 1579123169 1170731815 /nfs/dbraw/zinc/73/18/15/1170731815.db2.gz JQWVYTYHODAETI-LMLFDSFASA-N 2 2 198.310 0.751 20 0 ACADLP COC[C@@H](C)[NH2+][C@H]1C[C@H]2CC[C@@H]1[NH2+]2 1578960762 1170731895 /nfs/dbraw/zinc/73/18/95/1170731895.db2.gz NOKCOLOOYWXKJS-IMSYWVGJSA-N 2 2 184.283 0.504 20 0 ACADLP COC[C@H](C)[NH2+][C@@H]1C[NH2+]C[C@H]1C 1578960534 1170731927 /nfs/dbraw/zinc/73/19/27/1170731927.db2.gz JKKQFJDABUKMMP-HRDYMLBCSA-N 2 2 172.272 0.219 20 0 ACADLP CO[C@@H]1C[NH2+]C[C@H]1[NH2+]C1CCCC1 1579123191 1170731952 /nfs/dbraw/zinc/73/19/52/1170731952.db2.gz KEUNRWDKHJNIBM-NXEZZACHSA-N 2 2 184.283 0.505 20 0 ACADLP CO[C@@H]1C[NH2+]C[C@H]1[NH2+]CC(C)C 1579123198 1170732025 /nfs/dbraw/zinc/73/20/25/1170732025.db2.gz KJPSQDVYLNKACM-RKDXNWHRSA-N 2 2 172.272 0.219 20 0 ACADLP CO[C@@H]1C[NH2+]C[C@H]1[NH2+][C@H]1CC[C@@H]1C 1579123676 1170732052 /nfs/dbraw/zinc/73/20/52/1170732052.db2.gz QXJXERNVCXLVBO-AXTSPUMRSA-N 2 2 184.283 0.361 20 0 ACADLP COC[C@H](C)[NH2+][C@H]1C[C@H]2CC[C@@H]1[NH2+]2 1578960763 1170732145 /nfs/dbraw/zinc/73/21/45/1170732145.db2.gz NOKCOLOOYWXKJS-JXUBOQSCSA-N 2 2 184.283 0.504 20 0 ACADLP CO[C@@H]1C[NH2+]C[C@H]1[NH2+][C@@H]1CC[C@H]1C 1579123681 1170732179 /nfs/dbraw/zinc/73/21/79/1170732179.db2.gz QXJXERNVCXLVBO-ZYUZMQFOSA-N 2 2 184.283 0.361 20 0 ACADLP CO[C@@H]1C[NH2+]C[C@H]1[NH2+][C@@H]1CC[C@@H]1C 1579123678 1170732638 /nfs/dbraw/zinc/73/26/38/1170732638.db2.gz QXJXERNVCXLVBO-SGIHWFKDSA-N 2 2 184.283 0.361 20 0 ACADLP CO[C@@H]1C[NH2+]C[C@H]1[NH2+][C@H]1CC[C@H](C)C1 1579123171 1170732755 /nfs/dbraw/zinc/73/27/55/1170732755.db2.gz JQWVYTYHODAETI-UKKRHICBSA-N 2 2 198.310 0.751 20 0 ACADLP COC[C@@H](C)[NH2+][C@@H]1C[NH2+]C[C@H]1C 1578960535 1170732782 /nfs/dbraw/zinc/73/27/82/1170732782.db2.gz JKKQFJDABUKMMP-IWSPIJDZSA-N 2 2 172.272 0.219 20 0 ACADLP CO[C@@H]1C[NH2+]C[C@H]1[NH2+]CC1(C)CCC1 1579122836 1170732870 /nfs/dbraw/zinc/73/28/70/1170732870.db2.gz DHGJGQITMCGGPK-NXEZZACHSA-N 2 2 198.310 0.753 20 0 ACADLP CO[C@@H]1C[NH2+]C[C@H]1[NH2+]CC(C)(C)C 1579122863 1170733028 /nfs/dbraw/zinc/73/30/28/1170733028.db2.gz FOZADOCKRKFMJK-RKDXNWHRSA-N 2 2 186.299 0.609 20 0 ACADLP CO[C@H](C[NH2+][C@H]1CC[NH2+][C@@H]1C)C1CC1 1578912791 1170733039 /nfs/dbraw/zinc/73/30/39/1170733039.db2.gz MIPWPWSUTBRWFW-DVVUODLYSA-N 2 2 198.310 0.751 20 0 ACADLP CO[C@@H]1C[NH2+]C[C@H]1[NH2+][C@@H](C)C1CC1 1579122860 1170733089 /nfs/dbraw/zinc/73/30/89/1170733089.db2.gz FNBQKYGDURGSNN-FXBDTBDDSA-N 2 2 184.283 0.361 20 0 ACADLP CO[C@@H]1C[NH2+]C[C@H]1[NH2+][C@@H](C)CC1CC1 1579122763 1170733147 /nfs/dbraw/zinc/73/31/47/1170733147.db2.gz AAYOPERHSGEDLC-JMJZKYOTSA-N 2 2 198.310 0.751 20 0 ACADLP CO[C@@H]1C[NH2+]C[C@H]1[NH2+]CC1(C)CC1 1579123587 1170733669 /nfs/dbraw/zinc/73/36/69/1170733669.db2.gz QARLEOOLUUCDIP-RKDXNWHRSA-N 2 2 184.283 0.363 20 0 ACADLP COC[C@@H](C)[NH2+][C@H]1CC[NH2+][C@@H]1C 1578961007 1170733731 /nfs/dbraw/zinc/73/37/31/1170733731.db2.gz SBTLYEPNKFTSSM-HLTSFMKQSA-N 2 2 172.272 0.361 20 0 ACADLP CO[C@@H]1C[NH2+]C[C@H]1[NH2+][C@H](C)C1CC1 1579122861 1170733805 /nfs/dbraw/zinc/73/38/05/1170733805.db2.gz FNBQKYGDURGSNN-SZEHBUNVSA-N 2 2 184.283 0.361 20 0 ACADLP CO[C@@H]1C[NH2+]C[C@H]1[NH2+]C1CC(C)C1 1579123976 1170733842 /nfs/dbraw/zinc/73/38/42/1170733842.db2.gz XBNJFJIVPYCYLU-YDYPAMBWSA-N 2 2 184.283 0.361 20 0 ACADLP CO[C@@H]1C[NH2+]C[C@H]1[NH2+][C@@H]1CC[C@H](C)C1 1579123170 1170733946 /nfs/dbraw/zinc/73/39/46/1170733946.db2.gz JQWVYTYHODAETI-LNFKQOIKSA-N 2 2 198.310 0.751 20 0 ACADLP CO[C@@H]1C[NH2+]C[C@H]1[NH2+][C@@H]1CCC[C@@H]1C 1579124006 1170733973 /nfs/dbraw/zinc/73/39/73/1170733973.db2.gz XZAFYTLPQJFHGM-LNFKQOIKSA-N 2 2 198.310 0.751 20 0 ACADLP CO[C@@H]1C[NH2+]C[C@H]1[NH2+][C@@H]1CCC[C@H]1C 1579124004 1170734114 /nfs/dbraw/zinc/73/41/14/1170734114.db2.gz XZAFYTLPQJFHGM-GWOFURMSSA-N 2 2 198.310 0.751 20 0 ACADLP CO[C@@H]1C[NH2+]C[C@H]1[NH2+]CCC(C)C 1579126308 1170734893 /nfs/dbraw/zinc/73/48/93/1170734893.db2.gz RIMCWLOTOQAZRU-NXEZZACHSA-N 2 2 186.299 0.609 20 0 ACADLP CO[C@H]1C[C@@H]([N@H+](C)C[C@H]2CCC[NH2+]2)C1 1579133810 1170735189 /nfs/dbraw/zinc/73/51/89/1170735189.db2.gz ZADUDGNLAVMLTB-MXWKQRLJSA-N 2 2 198.310 0.848 20 0 ACADLP CO[C@H]1C[C@@H]([N@@H+](C)C[C@H]2CCC[NH2+]2)C1 1579133810 1170735194 /nfs/dbraw/zinc/73/51/94/1170735194.db2.gz ZADUDGNLAVMLTB-MXWKQRLJSA-N 2 2 198.310 0.848 20 0 ACADLP C[C@H]1[C@@H](O)CC[N@@H+]1C[C@H]1CCC[NH2+]1 1579507941 1170735814 /nfs/dbraw/zinc/73/58/14/1170735814.db2.gz OMCQHEWRNGKTPN-AEJSXWLSSA-N 2 2 184.283 0.194 20 0 ACADLP C[C@H]1[C@@H](O)CC[N@H+]1C[C@H]1CCC[NH2+]1 1579507941 1170735820 /nfs/dbraw/zinc/73/58/20/1170735820.db2.gz OMCQHEWRNGKTPN-AEJSXWLSSA-N 2 2 184.283 0.194 20 0 ACADLP C[C@H]1[NH2+]CC[C@@H]1[NH2+][C@H]1CCOC1 1579505125 1170736273 /nfs/dbraw/zinc/73/62/73/1170736273.db2.gz LATFLZBGIIJGKC-VGMNWLOBSA-N 2 2 170.256 0.115 20 0 ACADLP C[C@@H]1C[NH2+]C[C@H]1[NH2+]Cc1cc[nH]c1 1579467787 1170736321 /nfs/dbraw/zinc/73/63/21/1170736321.db2.gz ZSPZNAJIVARXCN-PSASIEDQSA-N 2 2 179.267 0.712 20 0 ACADLP Cc1c[nH]c(C[NH2+][C@H]2C[C@@H]([NH3+])C2)n1 1579548129 1170736460 /nfs/dbraw/zinc/73/64/60/1170736460.db2.gz YNIIGUFATDNJTK-OCAPTIKFSA-N 2 2 180.255 0.297 20 0 ACADLP C[C@H]1[NH2+]CC[C@@H]1[NH2+][C@H]1CCCOC1 1579505335 1170736613 /nfs/dbraw/zinc/73/66/13/1170736613.db2.gz WDCHEIPMPRCBRT-UTLUCORTSA-N 2 2 184.283 0.505 20 0 ACADLP C[C@@H]1C[NH2+]C[C@H]1[NH2+][C@@H]1COC(C)(C)C1 1579467708 1170736710 /nfs/dbraw/zinc/73/67/10/1170736710.db2.gz VQVBVLQUAZUDKI-KXUCPTDWSA-N 2 2 198.310 0.751 20 0 ACADLP C[C@H](C[NH3+])[NH2+]Cc1cccnc1N 1579476865 1170736828 /nfs/dbraw/zinc/73/68/28/1170736828.db2.gz KUPVNNSPHVZLMU-SSDOTTSWSA-N 2 2 180.255 0.101 20 0 ACADLP C[C@H]1[NH2+]CCC[C@H]1[NH2+][C@H]1CCOC1 1579499394 1170737231 /nfs/dbraw/zinc/73/72/31/1170737231.db2.gz MDMJUBZBVLOKDF-KXUCPTDWSA-N 2 2 184.283 0.505 20 0 ACADLP Cc1c[nH]c(C[NH2+][C@H]2C[C@H]([NH3+])C2)n1 1579548130 1170737492 /nfs/dbraw/zinc/73/74/92/1170737492.db2.gz YNIIGUFATDNJTK-ZKCHVHJHSA-N 2 2 180.255 0.297 20 0 ACADLP C[C@H]1[C@@H](O)CCC[N@@H+]1C[C@H]1CCC[NH2+]1 1579506472 1170737529 /nfs/dbraw/zinc/73/75/29/1170737529.db2.gz NFKDPWPDMKLETJ-AXFHLTTASA-N 2 2 198.310 0.584 20 0 ACADLP C[C@H]1[C@@H](O)CCC[N@H+]1C[C@H]1CCC[NH2+]1 1579506472 1170737538 /nfs/dbraw/zinc/73/75/38/1170737538.db2.gz NFKDPWPDMKLETJ-AXFHLTTASA-N 2 2 198.310 0.584 20 0 ACADLP C[C@H]1[NH2+]CC[C@@H]1[NH2+][C@@H]1CCOC1 1579505124 1170737619 /nfs/dbraw/zinc/73/76/19/1170737619.db2.gz LATFLZBGIIJGKC-HLTSFMKQSA-N 2 2 170.256 0.115 20 0 ACADLP C[C@@H]1C[NH2+]C[C@H]1[NH2+][C@@H]1CCCOC1 1579467411 1170737635 /nfs/dbraw/zinc/73/76/35/1170737635.db2.gz CVJYORQDVRBFGC-OPRDCNLKSA-N 2 2 184.283 0.363 20 0 ACADLP C[C@H]1[NH2+]CCC[C@H]1[NH2+][C@@H]1CCOC1 1579499395 1170737780 /nfs/dbraw/zinc/73/77/80/1170737780.db2.gz MDMJUBZBVLOKDF-OPRDCNLKSA-N 2 2 184.283 0.505 20 0 ACADLP C[C@H]1[NH2+]CC[C@@H]1[NH2+][C@@H]1CCCOC1 1579505334 1170738068 /nfs/dbraw/zinc/73/80/68/1170738068.db2.gz WDCHEIPMPRCBRT-BBBLOLIVSA-N 2 2 184.283 0.505 20 0 ACADLP C[C@@H]1C[NH2+]C[C@H]1[NH2+][C@H]1CCCOC1 1579467410 1170738103 /nfs/dbraw/zinc/73/81/03/1170738103.db2.gz CVJYORQDVRBFGC-KXUCPTDWSA-N 2 2 184.283 0.363 20 0 ACADLP C[C@@H]1C[NH2+]C[C@H]1[NH2+][C@H]1COC(C)(C)C1 1579467710 1170738138 /nfs/dbraw/zinc/73/81/38/1170738138.db2.gz VQVBVLQUAZUDKI-OPRDCNLKSA-N 2 2 198.310 0.751 20 0 ACADLP C[C@H]1[NH2+]CC[C@@H]1NCc1c[nH+]cn1C 1579506502 1170738237 /nfs/dbraw/zinc/73/82/37/1170738237.db2.gz OOKDRYNAUHCGIL-SCZZXKLOSA-N 2 2 194.282 0.260 20 0 ACADLP Cc1ncoc1C[NH2+][C@H]1C[C@H]([NH3+])C1 1579888436 1170739819 /nfs/dbraw/zinc/73/98/19/1170739819.db2.gz WTHHKERSHZTMJK-ZKCHVHJHSA-N 2 2 181.239 0.562 20 0 ACADLP Cc1[nH]c(CNC2(C)C[NH2+]C2)[nH+]c1C 1579858669 1170739969 /nfs/dbraw/zinc/73/99/69/1170739969.db2.gz KICKRFOUFIWJDI-UHFFFAOYSA-N 2 2 194.282 0.478 20 0 ACADLP Cc1cn(C)nc1C[NH2+][C@H]1C[C@@H]([NH3+])C1 1579818915 1170740522 /nfs/dbraw/zinc/74/05/22/1170740522.db2.gz UIUVZOWWJXJJIM-DTORHVGOSA-N 2 2 194.282 0.308 20 0 ACADLP Cc1cnn(C)c1C[NH2+]C(C)(C)C[NH3+] 1579826828 1170740700 /nfs/dbraw/zinc/74/07/00/1170740700.db2.gz RLKWLLNMZOCAMG-UHFFFAOYSA-N 2 2 196.298 0.555 20 0 ACADLP Cc1nc(C)c(C[NH2+][C@H]2C[C@H]([NH3+])C2)o1 1579849079 1170740861 /nfs/dbraw/zinc/74/08/61/1170740861.db2.gz GLCVDWHYQFKUKM-KYZUINATSA-N 2 2 195.266 0.871 20 0 ACADLP Cc1nnsc1C[NH2+][C@H]1C[C@H]([NH3+])C1 1579916208 1170740878 /nfs/dbraw/zinc/74/08/78/1170740878.db2.gz ZBRLZDKCXFQJER-LJGSYFOKSA-N 2 2 198.295 0.426 20 0 ACADLP Cc1noc(C)c1C[NH2+][C@H]1C[C@@H]([NH3+])C1 1579920648 1170741024 /nfs/dbraw/zinc/74/10/24/1170741024.db2.gz SNBQGDXNOGYSSD-DTORHVGOSA-N 2 2 195.266 0.871 20 0 ACADLP Cc1ccc(C[NH2+][C@H]2C[C@H]([NH3+])C2)nn1 1579696713 1170741078 /nfs/dbraw/zinc/74/10/78/1170741078.db2.gz ATKQRMFNJZCWFM-CZMCAQCFSA-N 2 2 192.266 0.364 20 0 ACADLP Cc1cn(C)nc1C[NH2+][C@H]1C[C@H]([NH3+])C1 1579818917 1170741241 /nfs/dbraw/zinc/74/12/41/1170741241.db2.gz UIUVZOWWJXJJIM-KYZUINATSA-N 2 2 194.282 0.308 20 0 ACADLP Cc1nc(C)c(C[NH2+][C@H]2C[C@@H]([NH3+])C2)o1 1579849076 1170741796 /nfs/dbraw/zinc/74/17/96/1170741796.db2.gz GLCVDWHYQFKUKM-DTORHVGOSA-N 2 2 195.266 0.871 20 0 ACADLP Cc1cc(C[NH2+][C@H]2C[C@H]([NH3+])C2)on1 1579601019 1170741878 /nfs/dbraw/zinc/74/18/78/1170741878.db2.gz GVSCNIQXCSZYDO-ZKCHVHJHSA-N 2 2 181.239 0.562 20 0 ACADLP Cc1nocc1C[NH2+][C@H]1C[C@@H]([NH3+])C1 1579923783 1170742023 /nfs/dbraw/zinc/74/20/23/1170742023.db2.gz LOLSAHDENAPJAR-DTORHVGOSA-N 2 2 181.239 0.562 20 0 ACADLP Cc1ncoc1C[NH2+][C@H]1C[C@@H]([NH3+])C1 1579888435 1170742199 /nfs/dbraw/zinc/74/21/99/1170742199.db2.gz WTHHKERSHZTMJK-OCAPTIKFSA-N 2 2 181.239 0.562 20 0 ACADLP Cc1ncc(C[NH2+][C@H]2C[C@H]([NH3+])C2)o1 1579878137 1170742317 /nfs/dbraw/zinc/74/23/17/1170742317.db2.gz JKUQYQBVDLIYMJ-ZKCHVHJHSA-N 2 2 181.239 0.562 20 0 ACADLP Cc1[nH+]cc(CN[C@H]2C[C@@H]([NH3+])C2)n1C 1579877900 1170742677 /nfs/dbraw/zinc/74/26/77/1170742677.db2.gz GWAFAGNKZIQUHY-DTORHVGOSA-N 2 2 194.282 0.308 20 0 ACADLP Cc1[nH+]cc(CN[C@H]2C[C@H]([NH3+])C2)n1C 1579877901 1170742867 /nfs/dbraw/zinc/74/28/67/1170742867.db2.gz GWAFAGNKZIQUHY-KYZUINATSA-N 2 2 194.282 0.308 20 0 ACADLP Cc1[nH]c(CN[C@H]2C[C@H]([NH3+])C2)[nH+]c1C 1579858955 1170742954 /nfs/dbraw/zinc/74/29/54/1170742954.db2.gz ZNQKZDLVNKUITD-KYZUINATSA-N 2 2 194.282 0.606 20 0 ACADLP Cc1nocc1C[NH2+][C@H]1C[C@H]([NH3+])C1 1579923784 1170742999 /nfs/dbraw/zinc/74/29/99/1170742999.db2.gz LOLSAHDENAPJAR-KYZUINATSA-N 2 2 181.239 0.562 20 0 ACADLP Cc1cc(C[NH2+][C@H]2C[C@@H]([NH3+])C2)nn1C 1579601311 1170743031 /nfs/dbraw/zinc/74/30/31/1170743031.db2.gz NVXUXNPYXKLUBG-DTORHVGOSA-N 2 2 194.282 0.308 20 0 ACADLP Cc1ccc(C[NH2+][C@H]2C[C@@H]([NH3+])C2)nn1 1579696714 1170743666 /nfs/dbraw/zinc/74/36/66/1170743666.db2.gz ATKQRMFNJZCWFM-WAAGHKOSSA-N 2 2 192.266 0.364 20 0 ACADLP [NH3+]C[C@H]1CCC[N@H+](CC2=NOCC2)C1 1580263615 1170747733 /nfs/dbraw/zinc/74/77/33/1170747733.db2.gz UXTRIPIZPCONQD-SECBINFHSA-N 2 2 197.282 0.433 20 0 ACADLP [NH3+]C[C@H]1CCC[N@@H+](CC2=NOCC2)C1 1580263615 1170747740 /nfs/dbraw/zinc/74/77/40/1170747740.db2.gz UXTRIPIZPCONQD-SECBINFHSA-N 2 2 197.282 0.433 20 0 ACADLP [NH3+]C[C@H]([NH2+]CC1=NOCC1)C1CC1 1580229434 1170748709 /nfs/dbraw/zinc/74/87/09/1170748709.db2.gz NUCLTBLIUVXGRJ-VIFPVBQESA-N 2 2 183.255 0.090 20 0 ACADLP [NH3+]C[C@@H]([NH2+]CC1=NOCC1)C1CC1 1580229433 1170749555 /nfs/dbraw/zinc/74/95/55/1170749555.db2.gz NUCLTBLIUVXGRJ-SECBINFHSA-N 2 2 183.255 0.090 20 0 ACADLP [NH3+]C[C@@H]1CCC[N@H+](CC2=NOCC2)C1 1580263616 1170750485 /nfs/dbraw/zinc/75/04/85/1170750485.db2.gz UXTRIPIZPCONQD-VIFPVBQESA-N 2 2 197.282 0.433 20 0 ACADLP [NH3+]C[C@@H]1CCC[N@@H+](CC2=NOCC2)C1 1580263616 1170750496 /nfs/dbraw/zinc/75/04/96/1170750496.db2.gz UXTRIPIZPCONQD-VIFPVBQESA-N 2 2 197.282 0.433 20 0 ACADLP [NH3+][C@@H]1CCCC[C@H]1[NH2+]Cc1cn[nH]c1 1580371961 1170752756 /nfs/dbraw/zinc/75/27/56/1170752756.db2.gz GGEGVJQOPVDTSI-NXEZZACHSA-N 2 2 194.282 0.769 20 0 ACADLP [NH3+]CC[N@@H+]1CCCC[C@@]12CCOC2 1580311220 1170752841 /nfs/dbraw/zinc/75/28/41/1170752841.db2.gz KRMFSOPIBNMJCM-JTQLQIEISA-N 2 2 184.283 0.590 20 0 ACADLP [NH3+]CC[N@H+]1CCCC[C@@]12CCOC2 1580311220 1170752848 /nfs/dbraw/zinc/75/28/48/1170752848.db2.gz KRMFSOPIBNMJCM-JTQLQIEISA-N 2 2 184.283 0.590 20 0 ACADLP [NH3+]CC[N@@H+]1CC[C@@H]2[C@H](C1)C2(F)F 1580310453 1170753615 /nfs/dbraw/zinc/75/36/15/1170753615.db2.gz SFRVHEKBVPDQST-RQJHMYQMSA-N 2 2 176.210 0.532 20 0 ACADLP [NH3+]CC[N@H+]1CC[C@@H]2[C@H](C1)C2(F)F 1580310453 1170753619 /nfs/dbraw/zinc/75/36/19/1170753619.db2.gz SFRVHEKBVPDQST-RQJHMYQMSA-N 2 2 176.210 0.532 20 0 ACADLP [NH3+][C@@H]1CCCC[C@H]1[NH2+]CC1=NOCC1 1580372127 1170755159 /nfs/dbraw/zinc/75/51/59/1170755159.db2.gz YAQHRXBUQLXQSV-NXEZZACHSA-N 2 2 197.282 0.622 20 0 ACADLP [NH3+]CC[N@@H+]1CC[C@H]2[C@@H](C1)C2(F)F 1580310451 1170755367 /nfs/dbraw/zinc/75/53/67/1170755367.db2.gz SFRVHEKBVPDQST-NKWVEPMBSA-N 2 2 176.210 0.532 20 0 ACADLP [NH3+]CC[N@H+]1CC[C@H]2[C@@H](C1)C2(F)F 1580310451 1170755374 /nfs/dbraw/zinc/75/53/74/1170755374.db2.gz SFRVHEKBVPDQST-NKWVEPMBSA-N 2 2 176.210 0.532 20 0 ACADLP [NH3+]CC[N@@H+]1CCCC[C@]12CCOC2 1580311221 1170755602 /nfs/dbraw/zinc/75/56/02/1170755602.db2.gz KRMFSOPIBNMJCM-SNVBAGLBSA-N 2 2 184.283 0.590 20 0 ACADLP [NH3+]CC[N@H+]1CCCC[C@]12CCOC2 1580311221 1170755609 /nfs/dbraw/zinc/75/56/09/1170755609.db2.gz KRMFSOPIBNMJCM-SNVBAGLBSA-N 2 2 184.283 0.590 20 0 ACADLP [NH3+][C@H]1C[C@@H]([NH2+]Cc2ccncc2F)C1 1580422937 1170755963 /nfs/dbraw/zinc/75/59/63/1170755963.db2.gz IRJRTHMOJQBLQY-DTORHVGOSA-N 2 2 195.241 0.800 20 0 ACADLP [NH3+][C@H]1C[C@H]([NH2+]Cc2cnsc2)C1 1580431363 1170756007 /nfs/dbraw/zinc/75/60/07/1170756007.db2.gz IBLFUKLCNQNZJU-ZKCHVHJHSA-N 2 2 183.280 0.722 20 0 ACADLP [NH3+][C@H]1C[C@@H]([NH2+][C@@H]2CCn3ccnc32)C1 1580422989 1170756106 /nfs/dbraw/zinc/75/61/06/1170756106.db2.gz KWIKLHXFZKVCHP-HRDYMLBCSA-N 2 2 192.266 0.407 20 0 ACADLP [NH3+][C@H]1C[C@H]([NH2+]Cc2ccncc2F)C1 1580431373 1170757090 /nfs/dbraw/zinc/75/70/90/1170757090.db2.gz IRJRTHMOJQBLQY-KYZUINATSA-N 2 2 195.241 0.800 20 0 ACADLP [NH3+][C@H]1C[C@@H]([NH2+][C@H]2CCn3ccnc32)C1 1580422990 1170757502 /nfs/dbraw/zinc/75/75/02/1170757502.db2.gz KWIKLHXFZKVCHP-YIZRAAEISA-N 2 2 192.266 0.407 20 0 ACADLP [NH3+][C@H]1C[C@@H]([NH2+]Cc2cnsc2)C1 1580422924 1170757680 /nfs/dbraw/zinc/75/76/80/1170757680.db2.gz IBLFUKLCNQNZJU-OCAPTIKFSA-N 2 2 183.280 0.722 20 0 ACADLP [NH3+][C@H]1C[C@@H]([NH2+]Cc2ccc(CO)o2)C1 1580422874 1170758164 /nfs/dbraw/zinc/75/81/64/1170758164.db2.gz FYRWVNRJBQBPEG-OCAPTIKFSA-N 2 2 196.250 0.351 20 0 ACADLP [NH3+][C@H]1C[C@H]([NH2+]Cc2ccc(CO)o2)C1 1580429995 1170759410 /nfs/dbraw/zinc/75/94/10/1170759410.db2.gz FYRWVNRJBQBPEG-ZKCHVHJHSA-N 2 2 196.250 0.351 20 0 ACADLP OC1(C[NH2+][C@@H]2C[C@@H]3CCC[C@@H]32)C[NH2+]C1 1580879936 1170760147 /nfs/dbraw/zinc/76/01/47/1170760147.db2.gz HNRQHAVCQPFEFB-LPEHRKFASA-N 2 2 196.294 0.099 20 0 ACADLP O[C@H](C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]21)C1CC1 1580878822 1170760653 /nfs/dbraw/zinc/76/06/53/1170760653.db2.gz WGAQDEJKIZWKHI-HBNTYKKESA-N 2 2 196.294 0.051 20 0 ACADLP O[C@H](C[N@H+]1CC[C@H]2C[NH2+]C[C@H]21)C1CC1 1580878822 1170760662 /nfs/dbraw/zinc/76/06/62/1170760662.db2.gz WGAQDEJKIZWKHI-HBNTYKKESA-N 2 2 196.294 0.051 20 0 ACADLP O[C@@H](C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]21)C1CC1 1580878821 1170761402 /nfs/dbraw/zinc/76/14/02/1170761402.db2.gz WGAQDEJKIZWKHI-AXFHLTTASA-N 2 2 196.294 0.051 20 0 ACADLP O[C@@H](C[N@H+]1CC[C@H]2C[NH2+]C[C@H]21)C1CC1 1580878821 1170761409 /nfs/dbraw/zinc/76/14/09/1170761409.db2.gz WGAQDEJKIZWKHI-AXFHLTTASA-N 2 2 196.294 0.051 20 0 ACADLP OC1(C[NH2+]C2CCCCCC2)C[NH2+]C1 1580880867 1170761874 /nfs/dbraw/zinc/76/18/74/1170761874.db2.gz ZRAONMRCPDJQGA-UHFFFAOYSA-N 2 2 198.310 0.633 20 0 ACADLP OC1(C[NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)C[NH2+]C1 1580880830 1170762075 /nfs/dbraw/zinc/76/20/75/1170762075.db2.gz YXFQHJTWKAEOFR-KXUCPTDWSA-N 2 2 196.294 0.099 20 0 ACADLP OC1(C[NH2+][C@H]2C[C@@H]3CCC[C@@H]32)C[NH2+]C1 1580879935 1170762894 /nfs/dbraw/zinc/76/28/94/1170762894.db2.gz HNRQHAVCQPFEFB-GUBZILKMSA-N 2 2 196.294 0.099 20 0 ACADLP OC1(C[NH2+][C@H]2CCC[C@@H]3C[C@H]23)C[NH2+]C1 1580880831 1170763210 /nfs/dbraw/zinc/76/32/10/1170763210.db2.gz YXFQHJTWKAEOFR-UTLUCORTSA-N 2 2 196.294 0.099 20 0 ACADLP O[C@@]12CC[N@@H+](C[C@H]3CCC[NH2+]3)C[C@@H]1C2 1580885714 1170764647 /nfs/dbraw/zinc/76/46/47/1170764647.db2.gz LPSAOQKXCOWYKA-HBNTYKKESA-N 2 2 196.294 0.195 20 0 ACADLP O[C@@]12CC[N@H+](C[C@H]3CCC[NH2+]3)C[C@@H]1C2 1580885714 1170764654 /nfs/dbraw/zinc/76/46/54/1170764654.db2.gz LPSAOQKXCOWYKA-HBNTYKKESA-N 2 2 196.294 0.195 20 0 ACADLP C[C@@H](O)C[N@H+](C[C@H]1CCC[NH2+]1)C1CC1 235223399 571676140 /nfs/dbraw/zinc/67/61/40/571676140.db2.gz WNNTYJTYHGOQMD-NXEZZACHSA-N 2 2 198.310 0.584 20 0 ACADLP C[C@@H](O)C[N@@H+](C[C@H]1CCC[NH2+]1)C1CC1 235223399 571676141 /nfs/dbraw/zinc/67/61/41/571676141.db2.gz WNNTYJTYHGOQMD-NXEZZACHSA-N 2 2 198.310 0.584 20 0 ACADLP OC[C@H]1CC[N@H+](CCn2cc[nH+]c2)C1 51887760 571677374 /nfs/dbraw/zinc/67/73/74/571677374.db2.gz ZPRYAOUYZQXXJP-JTQLQIEISA-N 2 2 195.266 0.197 20 0 ACADLP OC[C@H]1CC[N@@H+](CCn2cc[nH+]c2)C1 51887760 571677377 /nfs/dbraw/zinc/67/73/77/571677377.db2.gz ZPRYAOUYZQXXJP-JTQLQIEISA-N 2 2 195.266 0.197 20 0 ACADLP OC[C@@H]1CC[N@H+](CCn2cc[nH+]c2)C1 51887761 571678181 /nfs/dbraw/zinc/67/81/81/571678181.db2.gz ZPRYAOUYZQXXJP-SNVBAGLBSA-N 2 2 195.266 0.197 20 0 ACADLP OC[C@@H]1CC[N@@H+](CCn2cc[nH+]c2)C1 51887761 571678185 /nfs/dbraw/zinc/67/81/85/571678185.db2.gz ZPRYAOUYZQXXJP-SNVBAGLBSA-N 2 2 195.266 0.197 20 0 ACADLP CC[C@H](O)C[N@@H+]1CCC[C@H]([NH2+]C)C1 53204544 571681892 /nfs/dbraw/zinc/68/18/92/571681892.db2.gz YUFGTTFMYPGCQO-UWVGGRQHSA-N 2 2 186.299 0.441 20 0 ACADLP CC[C@H](O)C[N@H+]1CCC[C@H]([NH2+]C)C1 53204544 571681895 /nfs/dbraw/zinc/68/18/95/571681895.db2.gz YUFGTTFMYPGCQO-UWVGGRQHSA-N 2 2 186.299 0.441 20 0 ACADLP CC[C@@](C)(O)C[N@@H+]1CC[C@H]([NH2+]C)C1 229416147 571695180 /nfs/dbraw/zinc/69/51/80/571695180.db2.gz VWAJRRHDXDFJLN-VHSXEESVSA-N 2 2 186.299 0.441 20 0 ACADLP CC[C@@](C)(O)C[N@H+]1CC[C@H]([NH2+]C)C1 229416147 571695184 /nfs/dbraw/zinc/69/51/84/571695184.db2.gz VWAJRRHDXDFJLN-VHSXEESVSA-N 2 2 186.299 0.441 20 0 ACADLP CC[C@@H](COC)[NH2+]Cc1c[nH+]c[nH]1 70625224 571702019 /nfs/dbraw/zinc/70/20/19/571702019.db2.gz DTPGNQZSHFNJDD-QMMMGPOBSA-N 2 2 183.255 0.924 20 0 ACADLP CC[C@H](COC)[NH2+]Cc1c[nH+]c[nH]1 70625225 571702727 /nfs/dbraw/zinc/70/27/27/571702727.db2.gz DTPGNQZSHFNJDD-MRVPVSSYSA-N 2 2 183.255 0.924 20 0 ACADLP CN(Cc1[nH]cc[nH+]1)C(=O)CCC[NH3+] 70645738 571721853 /nfs/dbraw/zinc/72/18/53/571721853.db2.gz FLKVDKSWXWZLSL-UHFFFAOYSA-N 2 2 196.254 0.107 20 0 ACADLP CN(Cc1[nH]cc[nH+]1)C(=O)C(C)(C)[NH3+] 70645731 571719625 /nfs/dbraw/zinc/71/96/25/571719625.db2.gz JXRFGNNSTPTAMG-UHFFFAOYSA-N 2 2 196.254 0.105 20 0 ACADLP C[C@@H]([NH3+])CC(=O)N(C)Cc1[nH]cc[nH+]1 70645744 571720659 /nfs/dbraw/zinc/72/06/59/571720659.db2.gz CXFSHODUESWUOE-SSDOTTSWSA-N 2 2 196.254 0.105 20 0 ACADLP C[NH2+]CCCC(=O)NCc1[nH]cc[nH+]1 70646719 571721409 /nfs/dbraw/zinc/72/14/09/571721409.db2.gz NSAMKOUTSNTEKC-UHFFFAOYSA-N 2 2 196.254 0.026 20 0 ACADLP C[C@H]([NH3+])CC(=O)N(C)Cc1[nH]cc[nH+]1 70645743 571721697 /nfs/dbraw/zinc/72/16/97/571721697.db2.gz CXFSHODUESWUOE-ZETCQYMHSA-N 2 2 196.254 0.105 20 0 ACADLP O[C@H](C[NH2+]Cc1c[nH+]c[nH]1)C1CC1 70882798 571735406 /nfs/dbraw/zinc/73/54/06/571735406.db2.gz QHKOVGZGBPVVGN-SECBINFHSA-N 2 2 181.239 0.270 20 0 ACADLP O[C@@H](C[NH2+]Cc1c[nH+]c[nH]1)C1CC1 70882791 571736296 /nfs/dbraw/zinc/73/62/96/571736296.db2.gz QHKOVGZGBPVVGN-VIFPVBQESA-N 2 2 181.239 0.270 20 0 ACADLP CC[C@H](O)C[N@H+](C)[C@@H]1CC[NH2+]C1 70895939 571737122 /nfs/dbraw/zinc/73/71/22/571737122.db2.gz PIQQFGBGECRGRC-BDAKNGLRSA-N 2 2 172.272 0.051 20 0 ACADLP CC[C@H](O)C[N@@H+](C)[C@@H]1CC[NH2+]C1 70895939 571737125 /nfs/dbraw/zinc/73/71/25/571737125.db2.gz PIQQFGBGECRGRC-BDAKNGLRSA-N 2 2 172.272 0.051 20 0 ACADLP CCC[N@H+](C[C@@H](C)O)[C@@H]1CC[NH2+]C1 70903336 571738143 /nfs/dbraw/zinc/73/81/43/571738143.db2.gz HDVKSNMLRIQZDM-NXEZZACHSA-N 2 2 186.299 0.441 20 0 ACADLP CCC[N@@H+](C[C@@H](C)O)[C@@H]1CC[NH2+]C1 70903336 571738145 /nfs/dbraw/zinc/73/81/45/571738145.db2.gz HDVKSNMLRIQZDM-NXEZZACHSA-N 2 2 186.299 0.441 20 0 ACADLP CC[N@H+](C[C@@H](C)O)[C@@H]1CC[NH2+]C1 70900433 571738205 /nfs/dbraw/zinc/73/82/05/571738205.db2.gz HLJCGNJCDFXRHN-RKDXNWHRSA-N 2 2 172.272 0.051 20 0 ACADLP CC[N@@H+](C[C@@H](C)O)[C@@H]1CC[NH2+]C1 70900433 571738206 /nfs/dbraw/zinc/73/82/06/571738206.db2.gz HLJCGNJCDFXRHN-RKDXNWHRSA-N 2 2 172.272 0.051 20 0 ACADLP CC[C@](C)(CO)[NH2+]Cc1c[nH+]c[nH]1 70899685 571738742 /nfs/dbraw/zinc/73/87/42/571738742.db2.gz WNYHZQLARANDDI-SECBINFHSA-N 2 2 183.255 0.660 20 0 ACADLP CC[C@H](O)C[N@H+](CC)[C@@H]1CC[NH2+]C1 70900423 571738997 /nfs/dbraw/zinc/73/89/97/571738997.db2.gz KKOKGNNZHFFEEN-ZJUUUORDSA-N 2 2 186.299 0.441 20 0 ACADLP CC[C@H](O)C[N@@H+](CC)[C@@H]1CC[NH2+]C1 70900423 571739001 /nfs/dbraw/zinc/73/90/01/571739001.db2.gz KKOKGNNZHFFEEN-ZJUUUORDSA-N 2 2 186.299 0.441 20 0 ACADLP CC[C@@](C)(CO)[NH2+]Cc1c[nH+]c[nH]1 70899683 571739078 /nfs/dbraw/zinc/73/90/78/571739078.db2.gz WNYHZQLARANDDI-VIFPVBQESA-N 2 2 183.255 0.660 20 0 ACADLP CC[N@H+](C[C@H](C)O)[C@@H]1CC[NH2+]C1 70900440 571740430 /nfs/dbraw/zinc/74/04/30/571740430.db2.gz HLJCGNJCDFXRHN-DTWKUNHWSA-N 2 2 172.272 0.051 20 0 ACADLP CC[N@@H+](C[C@H](C)O)[C@@H]1CC[NH2+]C1 70900440 571740431 /nfs/dbraw/zinc/74/04/31/571740431.db2.gz HLJCGNJCDFXRHN-DTWKUNHWSA-N 2 2 172.272 0.051 20 0 ACADLP CCC[N@H+](C[C@H](C)O)[C@@H]1CC[NH2+]C1 70903343 571740616 /nfs/dbraw/zinc/74/06/16/571740616.db2.gz HDVKSNMLRIQZDM-VHSXEESVSA-N 2 2 186.299 0.441 20 0 ACADLP CCC[N@@H+](C[C@H](C)O)[C@@H]1CC[NH2+]C1 70903343 571740618 /nfs/dbraw/zinc/74/06/18/571740618.db2.gz HDVKSNMLRIQZDM-VHSXEESVSA-N 2 2 186.299 0.441 20 0 ACADLP CCC[N@H+](CCO)[C@H]1CC[NH2+]C1 70917494 571741864 /nfs/dbraw/zinc/74/18/64/571741864.db2.gz KFFQFVVTGYPQJK-VIFPVBQESA-N 2 2 172.272 0.053 20 0 ACADLP CCC[N@@H+](CCO)[C@H]1CC[NH2+]C1 70917494 571741867 /nfs/dbraw/zinc/74/18/67/571741867.db2.gz KFFQFVVTGYPQJK-VIFPVBQESA-N 2 2 172.272 0.053 20 0 ACADLP CCC[N@H+](CCO)[C@@H]1CC[NH2+]C1 70917491 571742054 /nfs/dbraw/zinc/74/20/54/571742054.db2.gz KFFQFVVTGYPQJK-SECBINFHSA-N 2 2 172.272 0.053 20 0 ACADLP CCC[N@@H+](CCO)[C@@H]1CC[NH2+]C1 70917491 571742058 /nfs/dbraw/zinc/74/20/58/571742058.db2.gz KFFQFVVTGYPQJK-SECBINFHSA-N 2 2 172.272 0.053 20 0 ACADLP C[NH2+]CC[N@H+](C)CCCCCCO 234360744 571792872 /nfs/dbraw/zinc/79/28/72/571792872.db2.gz JQCQIELAQNFSLP-UHFFFAOYSA-N 2 2 188.315 0.690 20 0 ACADLP C[NH2+]CC[N@@H+](C)CCCCCCO 234360744 571792875 /nfs/dbraw/zinc/79/28/75/571792875.db2.gz JQCQIELAQNFSLP-UHFFFAOYSA-N 2 2 188.315 0.690 20 0 ACADLP C[NH2+]C[C@H]1CCc2[nH]c[nH+]c2C1 107308039 571805730 /nfs/dbraw/zinc/80/57/30/571805730.db2.gz ONUVDRFKHUJEJH-ZETCQYMHSA-N 2 2 165.240 0.734 20 0 ACADLP C[NH2+]C[C@@H]1CCc2[nH]c[nH+]c2C1 107308036 571805839 /nfs/dbraw/zinc/80/58/39/571805839.db2.gz ONUVDRFKHUJEJH-SSDOTTSWSA-N 2 2 165.240 0.734 20 0 ACADLP Cc1ccc(C[NH2+]CC2C[NH2+]C2)nn1 710927059 571820300 /nfs/dbraw/zinc/82/03/00/571820300.db2.gz RAUYKASCKPUMLI-UHFFFAOYSA-N 2 2 192.266 0.094 20 0 ACADLP C[C@H](O)CC[NH2+]Cc1c[nH+]c[nH]1 78780585 571841134 /nfs/dbraw/zinc/84/11/34/571841134.db2.gz TXGMJKJNAKQOBC-ZETCQYMHSA-N 2 2 169.228 0.270 20 0 ACADLP CC[C@H](O)C[N@H+](CC)CC[NH3+] 300747367 571877746 /nfs/dbraw/zinc/87/77/46/571877746.db2.gz DLONYCGZCSJGDP-QMMMGPOBSA-N 2 2 160.261 0.038 20 0 ACADLP CC[C@H](O)C[N@@H+](CC)CC[NH3+] 300747367 571877747 /nfs/dbraw/zinc/87/77/47/571877747.db2.gz DLONYCGZCSJGDP-QMMMGPOBSA-N 2 2 160.261 0.038 20 0 ACADLP C[C@@H](O)CC[N@H+](C)C[C@H]1CCC[NH2+]1 300056279 571891639 /nfs/dbraw/zinc/89/16/39/571891639.db2.gz KVDVRHKKGKANEP-NXEZZACHSA-N 2 2 186.299 0.441 20 0 ACADLP C[C@H](O)CC[N@H+](C)C[C@H]1CCC[NH2+]1 300056280 571891587 /nfs/dbraw/zinc/89/15/87/571891587.db2.gz KVDVRHKKGKANEP-VHSXEESVSA-N 2 2 186.299 0.441 20 0 ACADLP C[C@H](O)CC[N@@H+](C)C[C@H]1CCC[NH2+]1 300056280 571891591 /nfs/dbraw/zinc/89/15/91/571891591.db2.gz KVDVRHKKGKANEP-VHSXEESVSA-N 2 2 186.299 0.441 20 0 ACADLP C[C@@H](O)CC[N@@H+](C)C[C@H]1CCC[NH2+]1 300056279 571891644 /nfs/dbraw/zinc/89/16/44/571891644.db2.gz KVDVRHKKGKANEP-NXEZZACHSA-N 2 2 186.299 0.441 20 0 ACADLP C[C@H](N[C@H](C)C[NH3+])c1[nH]cc[nH+]1 235459608 571917616 /nfs/dbraw/zinc/91/76/16/571917616.db2.gz WRNKTYCXGTYTOM-RQJHMYQMSA-N 2 2 168.244 0.408 20 0 ACADLP C[C@H](C[NH3+])N[C@H](C)c1[nH]cc[nH+]1 235462691 571917776 /nfs/dbraw/zinc/91/77/76/571917776.db2.gz WRNKTYCXGTYTOM-RNFRBKRXSA-N 2 2 168.244 0.408 20 0 ACADLP CC[C@@H](c1[nH]cc[nH+]1)N1CC[NH2+]CC1 520864284 571940446 /nfs/dbraw/zinc/94/04/46/571940446.db2.gz JIGHAWUVKWARAK-VIFPVBQESA-N 2 2 194.282 0.766 20 0 ACADLP CC[C@H](c1[nH]cc[nH+]1)N1CC[NH2+]CC1 520864283 571941657 /nfs/dbraw/zinc/94/16/57/571941657.db2.gz JIGHAWUVKWARAK-SECBINFHSA-N 2 2 194.282 0.766 20 0 ACADLP C[C@H](NC[C@H]1CCC[NH2+]1)c1[nH]cc[nH+]1 235517257 571941994 /nfs/dbraw/zinc/94/19/94/571941994.db2.gz CMTJRWPPJCOQQJ-DTWKUNHWSA-N 2 2 194.282 0.812 20 0 ACADLP CCCC[NH2+]C[C@H]1C[N@H+](C)CCN1C 79750852 571956282 /nfs/dbraw/zinc/95/62/82/571956282.db2.gz XLNMJNSGKYWKHI-NSHDSACASA-N 2 2 199.342 0.622 20 0 ACADLP CCCC[NH2+]C[C@H]1C[N@@H+](C)CCN1C 79750852 571956284 /nfs/dbraw/zinc/95/62/84/571956284.db2.gz XLNMJNSGKYWKHI-NSHDSACASA-N 2 2 199.342 0.622 20 0 ACADLP CCCC[NH2+]C[C@@H]1C[N@H+](C)CCN1C 79750847 571957624 /nfs/dbraw/zinc/95/76/24/571957624.db2.gz XLNMJNSGKYWKHI-LLVKDONJSA-N 2 2 199.342 0.622 20 0 ACADLP CCCC[NH2+]C[C@@H]1C[N@@H+](C)CCN1C 79750847 571957626 /nfs/dbraw/zinc/95/76/26/571957626.db2.gz XLNMJNSGKYWKHI-LLVKDONJSA-N 2 2 199.342 0.622 20 0 ACADLP C[C@H](O)C[N@H+](C[C@H]1CCC[NH2+]1)C1CC1 235563312 571992650 /nfs/dbraw/zinc/99/26/50/571992650.db2.gz WNNTYJTYHGOQMD-VHSXEESVSA-N 2 2 198.310 0.584 20 0 ACADLP C[C@H](O)C[N@@H+](C[C@H]1CCC[NH2+]1)C1CC1 235563312 571992654 /nfs/dbraw/zinc/99/26/54/571992654.db2.gz WNNTYJTYHGOQMD-VHSXEESVSA-N 2 2 198.310 0.584 20 0 ACADLP c1[nH]c(C[NH2+]CC2CCOCC2)c[nH+]1 82394862 572023737 /nfs/dbraw/zinc/02/37/37/572023737.db2.gz VQIPQMOTZWUUBR-UHFFFAOYSA-N 2 2 195.266 0.926 20 0 ACADLP C[C@H](Cn1cccn1)[NH2+]CC[NH+](C)C 42540432 572030244 /nfs/dbraw/zinc/03/02/44/572030244.db2.gz XBHIHFOIWBOXMH-SNVBAGLBSA-N 2 2 196.298 0.423 20 0 ACADLP C[NH2+]CC[N@H+](C)C[C@H]1CCCOC1 82545968 572046540 /nfs/dbraw/zinc/04/65/40/572046540.db2.gz HNNDDLMDURMBTQ-SNVBAGLBSA-N 2 2 186.299 0.564 20 0 ACADLP C[NH2+]CC[N@@H+](C)C[C@H]1CCCOC1 82545968 572046543 /nfs/dbraw/zinc/04/65/43/572046543.db2.gz HNNDDLMDURMBTQ-SNVBAGLBSA-N 2 2 186.299 0.564 20 0 ACADLP C[NH2+]CC[N@H+](C)C[C@@H]1CCCOC1 82544442 572047595 /nfs/dbraw/zinc/04/75/95/572047595.db2.gz HNNDDLMDURMBTQ-JTQLQIEISA-N 2 2 186.299 0.564 20 0 ACADLP C[NH2+]CC[N@@H+](C)C[C@@H]1CCCOC1 82544442 572047598 /nfs/dbraw/zinc/04/75/98/572047598.db2.gz HNNDDLMDURMBTQ-JTQLQIEISA-N 2 2 186.299 0.564 20 0 ACADLP CC(C)OCC[N@H+](C)C[C@@H](C)[NH3+] 82594982 572055783 /nfs/dbraw/zinc/05/57/83/572055783.db2.gz VJAJGLXNLVPQQA-SECBINFHSA-N 2 2 174.288 0.690 20 0 ACADLP CC(C)OCC[N@@H+](C)C[C@@H](C)[NH3+] 82594982 572055784 /nfs/dbraw/zinc/05/57/84/572055784.db2.gz VJAJGLXNLVPQQA-SECBINFHSA-N 2 2 174.288 0.690 20 0 ACADLP CCOCC[N@H+](C)C[C@H](C)[NH3+] 82594856 572056574 /nfs/dbraw/zinc/05/65/74/572056574.db2.gz MNTNSFVAVMHDSX-QMMMGPOBSA-N 2 2 160.261 0.302 20 0 ACADLP CCOCC[N@@H+](C)C[C@H](C)[NH3+] 82594856 572056576 /nfs/dbraw/zinc/05/65/76/572056576.db2.gz MNTNSFVAVMHDSX-QMMMGPOBSA-N 2 2 160.261 0.302 20 0 ACADLP CC(C)OCC[N@H+](C)C[C@H](C)[NH3+] 82594984 572056618 /nfs/dbraw/zinc/05/66/18/572056618.db2.gz VJAJGLXNLVPQQA-VIFPVBQESA-N 2 2 174.288 0.690 20 0 ACADLP CC(C)OCC[N@@H+](C)C[C@H](C)[NH3+] 82594984 572056620 /nfs/dbraw/zinc/05/66/20/572056620.db2.gz VJAJGLXNLVPQQA-VIFPVBQESA-N 2 2 174.288 0.690 20 0 ACADLP C[C@H]([NH3+])C[N@H+](C)CCc1cccnc1 82595083 572056731 /nfs/dbraw/zinc/05/67/31/572056731.db2.gz QEKXQWOCMRQBGW-JTQLQIEISA-N 2 2 193.294 0.903 20 0 ACADLP C[C@H]([NH3+])C[N@@H+](C)CCc1cccnc1 82595083 572056735 /nfs/dbraw/zinc/05/67/35/572056735.db2.gz QEKXQWOCMRQBGW-JTQLQIEISA-N 2 2 193.294 0.903 20 0 ACADLP CCOCC[N@H+](C)C[C@@H](C)[NH3+] 82594854 572057282 /nfs/dbraw/zinc/05/72/82/572057282.db2.gz MNTNSFVAVMHDSX-MRVPVSSYSA-N 2 2 160.261 0.302 20 0 ACADLP CCOCC[N@@H+](C)C[C@@H](C)[NH3+] 82594854 572057284 /nfs/dbraw/zinc/05/72/84/572057284.db2.gz MNTNSFVAVMHDSX-MRVPVSSYSA-N 2 2 160.261 0.302 20 0 ACADLP C[C@@H](C[NH3+])N[C@H](C)c1[nH]cc[nH+]1 235097261 572061936 /nfs/dbraw/zinc/06/19/36/572061936.db2.gz WRNKTYCXGTYTOM-NKWVEPMBSA-N 2 2 168.244 0.408 20 0 ACADLP C[NH2+]CC[N@@H+](C)C[C@@H]1C[C@H]1C 82648309 572066330 /nfs/dbraw/zinc/06/63/30/572066330.db2.gz XNVBZMSTABIJDM-BDAKNGLRSA-N 2 2 156.273 0.794 20 0 ACADLP C[NH2+]CC[N@H+](C)C[C@@H]1C[C@H]1C 82648309 572066327 /nfs/dbraw/zinc/06/63/27/572066327.db2.gz XNVBZMSTABIJDM-BDAKNGLRSA-N 2 2 156.273 0.794 20 0 ACADLP C[NH2+]CC[N@H+](C)C[C@H]1C[C@H]1C 82648307 572068052 /nfs/dbraw/zinc/06/80/52/572068052.db2.gz XNVBZMSTABIJDM-RKDXNWHRSA-N 2 2 156.273 0.794 20 0 ACADLP C[NH2+]CC[N@@H+](C)C[C@H]1C[C@H]1C 82648307 572068057 /nfs/dbraw/zinc/06/80/57/572068057.db2.gz XNVBZMSTABIJDM-RKDXNWHRSA-N 2 2 156.273 0.794 20 0 ACADLP C[NH2+]CC[N@H+](C)C[C@H]1C[C@@H]1C 82648308 572069202 /nfs/dbraw/zinc/06/92/02/572069202.db2.gz XNVBZMSTABIJDM-DTWKUNHWSA-N 2 2 156.273 0.794 20 0 ACADLP C[NH2+]CC[N@@H+](C)C[C@H]1C[C@@H]1C 82648308 572069204 /nfs/dbraw/zinc/06/92/04/572069204.db2.gz XNVBZMSTABIJDM-DTWKUNHWSA-N 2 2 156.273 0.794 20 0 ACADLP C[C@@H](C[NH+](C)C)NCc1cn(C)c[nH+]1 235113049 572079311 /nfs/dbraw/zinc/07/93/11/572079311.db2.gz BYXAKJIIQPMEBY-VIFPVBQESA-N 2 2 196.298 0.460 20 0 ACADLP CC[C@@](C)(O)C[NH2+]Cc1c[nH+]c[nH]1 82687178 572084173 /nfs/dbraw/zinc/08/41/73/572084173.db2.gz CCBJDWQGIGZSAO-SECBINFHSA-N 2 2 183.255 0.660 20 0 ACADLP CC(C)(O)C[NH2+]Cc1c[nH+]c[nH]1 82687387 572084236 /nfs/dbraw/zinc/08/42/36/572084236.db2.gz JBBUPOVEHGNEQA-UHFFFAOYSA-N 2 2 169.228 0.270 20 0 ACADLP C[C@H]([NH2+]Cc1c[nH+]c[nH]1)C(C)(C)O 82717467 572085234 /nfs/dbraw/zinc/08/52/34/572085234.db2.gz NROOAVFHWMIMHY-ZETCQYMHSA-N 2 2 183.255 0.659 20 0 ACADLP CC[C@](C)(O)C[NH2+]Cc1c[nH+]c[nH]1 82687177 572085041 /nfs/dbraw/zinc/08/50/41/572085041.db2.gz CCBJDWQGIGZSAO-VIFPVBQESA-N 2 2 183.255 0.660 20 0 ACADLP C[NH2+]C[C@@H]1CCC[N@@H+]1CCOC1CC1 711747138 572103956 /nfs/dbraw/zinc/10/39/56/572103956.db2.gz YXOOCOZMLZTIRH-JTQLQIEISA-N 2 2 198.310 0.849 20 0 ACADLP C[NH2+]C[C@@H]1CCC[N@H+]1CCOC1CC1 711747138 572103958 /nfs/dbraw/zinc/10/39/58/572103958.db2.gz YXOOCOZMLZTIRH-JTQLQIEISA-N 2 2 198.310 0.849 20 0 ACADLP C[NH2+]C[C@H]1CCC[N@@H+]1CCOC1CC1 711747140 572103855 /nfs/dbraw/zinc/10/38/55/572103855.db2.gz YXOOCOZMLZTIRH-SNVBAGLBSA-N 2 2 198.310 0.849 20 0 ACADLP C[NH2+]C[C@H]1CCC[N@H+]1CCOC1CC1 711747140 572103860 /nfs/dbraw/zinc/10/38/60/572103860.db2.gz YXOOCOZMLZTIRH-SNVBAGLBSA-N 2 2 198.310 0.849 20 0 ACADLP C[C@@H](C[NH3+])N[C@@H](C)c1[nH]cc[nH+]1 235146258 572115893 /nfs/dbraw/zinc/11/58/93/572115893.db2.gz WRNKTYCXGTYTOM-BQBZGAKWSA-N 2 2 168.244 0.408 20 0 ACADLP C[C@H](O)[C@H](C)[NH2+]C[C@H]1CCC[N@@H+]1C 300367985 572139212 /nfs/dbraw/zinc/13/92/12/572139212.db2.gz OOWDBGQCSQDLAX-LPEHRKFASA-N 2 2 186.299 0.440 20 0 ACADLP C[C@H](O)[C@H](C)[NH2+]C[C@H]1CCC[N@H+]1C 300367985 572139215 /nfs/dbraw/zinc/13/92/15/572139215.db2.gz OOWDBGQCSQDLAX-LPEHRKFASA-N 2 2 186.299 0.440 20 0 ACADLP C[C@H](O)[C@@H](C)[NH2+]C[C@H]1CCC[N@@H+]1C 300367984 572140369 /nfs/dbraw/zinc/14/03/69/572140369.db2.gz OOWDBGQCSQDLAX-KXUCPTDWSA-N 2 2 186.299 0.440 20 0 ACADLP C[C@H](O)[C@@H](C)[NH2+]C[C@H]1CCC[N@H+]1C 300367984 572140370 /nfs/dbraw/zinc/14/03/70/572140370.db2.gz OOWDBGQCSQDLAX-KXUCPTDWSA-N 2 2 186.299 0.440 20 0 ACADLP CCn1cc[nH+]c1CN(C)CC[NH2+]C 69802552 572146247 /nfs/dbraw/zinc/14/62/47/572146247.db2.gz HMLVQGNXGOMODZ-UHFFFAOYSA-N 2 2 196.298 0.554 20 0 ACADLP C[NH2+]CC[N@H+](C)[C@H]1CCCC[C@@H]1O 69802546 572147018 /nfs/dbraw/zinc/14/70/18/572147018.db2.gz XARIGYCGLZGMKF-UWVGGRQHSA-N 2 2 186.299 0.441 20 0 ACADLP C[NH2+]CC[N@@H+](C)[C@H]1CCCC[C@@H]1O 69802546 572147020 /nfs/dbraw/zinc/14/70/20/572147020.db2.gz XARIGYCGLZGMKF-UWVGGRQHSA-N 2 2 186.299 0.441 20 0 ACADLP C[NH2+]CC[N@H+](C)[C@@H]1CCO[C@H](C)C1 69894577 572153641 /nfs/dbraw/zinc/15/36/41/572153641.db2.gz MHWGBDDKUNKTEY-NXEZZACHSA-N 2 2 186.299 0.705 20 0 ACADLP C[NH2+]CC[N@@H+](C)[C@@H]1CCO[C@H](C)C1 69894577 572153644 /nfs/dbraw/zinc/15/36/44/572153644.db2.gz MHWGBDDKUNKTEY-NXEZZACHSA-N 2 2 186.299 0.705 20 0 ACADLP C[NH+](C)CC[NH2+][C@H]1CCCC[C@@H]1O 37490686 572162491 /nfs/dbraw/zinc/16/24/91/572162491.db2.gz HCFQXEYHFNADIF-UWVGGRQHSA-N 2 2 186.299 0.441 20 0 ACADLP C[NH+](C)CC[NH2+][C@@H]1CCC[C@H]1O 37489969 572164791 /nfs/dbraw/zinc/16/47/91/572164791.db2.gz ZHOQFYMGILYIFT-RKDXNWHRSA-N 2 2 172.272 0.051 20 0 ACADLP CC[N@@H+]1CCC[C@@H]1C[NH2+]C[C@@H](C)O 37687813 572174808 /nfs/dbraw/zinc/17/48/08/572174808.db2.gz OZXWAVNGUDPBLY-NXEZZACHSA-N 2 2 186.299 0.441 20 0 ACADLP CC[N@H+]1CCC[C@@H]1C[NH2+]C[C@@H](C)O 37687813 572174811 /nfs/dbraw/zinc/17/48/11/572174811.db2.gz OZXWAVNGUDPBLY-NXEZZACHSA-N 2 2 186.299 0.441 20 0 ACADLP C[NH2+]CC[N@H+](C)CCCOC 37753913 572185263 /nfs/dbraw/zinc/18/52/63/572185263.db2.gz OCUNZAWAIVYNRL-UHFFFAOYSA-N 2 2 160.261 0.174 20 0 ACADLP C[NH2+]CC[N@@H+](C)CCCOC 37753913 572185266 /nfs/dbraw/zinc/18/52/66/572185266.db2.gz OCUNZAWAIVYNRL-UHFFFAOYSA-N 2 2 160.261 0.174 20 0 ACADLP CCO[C@@H]1CCC[N@H+](C[C@H](C)[NH3+])C1 158476405 572206280 /nfs/dbraw/zinc/20/62/80/572206280.db2.gz NTTRPVHOXVGBET-VHSXEESVSA-N 2 2 186.299 0.835 20 0 ACADLP CCO[C@@H]1CCC[N@@H+](C[C@H](C)[NH3+])C1 158476405 572206281 /nfs/dbraw/zinc/20/62/81/572206281.db2.gz NTTRPVHOXVGBET-VHSXEESVSA-N 2 2 186.299 0.835 20 0 ACADLP CC[N@@H+]1CCC[C@H]1C[NH2+]C[C@@H](C)O 37687814 572206579 /nfs/dbraw/zinc/20/65/79/572206579.db2.gz OZXWAVNGUDPBLY-ZJUUUORDSA-N 2 2 186.299 0.441 20 0 ACADLP CC[N@H+]1CCC[C@H]1C[NH2+]C[C@@H](C)O 37687814 572206584 /nfs/dbraw/zinc/20/65/84/572206584.db2.gz OZXWAVNGUDPBLY-ZJUUUORDSA-N 2 2 186.299 0.441 20 0 ACADLP CC[C@@H](C[NH3+])[NH+]1CCSCC1 20257164 572211263 /nfs/dbraw/zinc/21/12/63/572211263.db2.gz WDTZYJMJVQOOMN-QMMMGPOBSA-N 2 2 174.313 0.773 20 0 ACADLP CC[C@H](C[NH3+])[NH+]1CCSCC1 20257165 572211090 /nfs/dbraw/zinc/21/10/90/572211090.db2.gz WDTZYJMJVQOOMN-MRVPVSSYSA-N 2 2 174.313 0.773 20 0 ACADLP C[NH+](C)CC[NH2+]CC1(O)CCCC1 83466231 572224882 /nfs/dbraw/zinc/22/48/82/572224882.db2.gz QEHYSMXLYQVSOH-UHFFFAOYSA-N 2 2 186.299 0.443 20 0 ACADLP C[NH2+]CC[N@H+](C)CC[C@H]1CCCO1 83527322 572232081 /nfs/dbraw/zinc/23/20/81/572232081.db2.gz VGATVDPWNKLPCC-SNVBAGLBSA-N 2 2 186.299 0.707 20 0 ACADLP C[NH2+]CC[N@@H+](C)CC[C@H]1CCCO1 83527322 572232082 /nfs/dbraw/zinc/23/20/82/572232082.db2.gz VGATVDPWNKLPCC-SNVBAGLBSA-N 2 2 186.299 0.707 20 0 ACADLP C[NH2+]CC[N@H+](C)CC[C@@H]1CCCO1 83527321 572232231 /nfs/dbraw/zinc/23/22/31/572232231.db2.gz VGATVDPWNKLPCC-JTQLQIEISA-N 2 2 186.299 0.707 20 0 ACADLP C[NH2+]CC[N@@H+](C)CC[C@@H]1CCCO1 83527321 572232234 /nfs/dbraw/zinc/23/22/34/572232234.db2.gz VGATVDPWNKLPCC-JTQLQIEISA-N 2 2 186.299 0.707 20 0 ACADLP C[C@@H](NC[C@H]1CCC[NH2+]1)c1[nH]cc[nH+]1 235213709 572245533 /nfs/dbraw/zinc/24/55/33/572245533.db2.gz CMTJRWPPJCOQQJ-RKDXNWHRSA-N 2 2 194.282 0.812 20 0 ACADLP O[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCC[NH2+]C1 52002660 572331613 /nfs/dbraw/zinc/33/16/13/572331613.db2.gz WQTNIRNLJNKSLV-GMTAPVOTSA-N 2 2 198.310 0.632 20 0 ACADLP C[NH2+]CC[N@H+](C)CC1(O)CCCC1 83587598 572357582 /nfs/dbraw/zinc/35/75/82/572357582.db2.gz HNPVWUBOGQSLIH-UHFFFAOYSA-N 2 2 186.299 0.443 20 0 ACADLP C[NH2+]CC[N@@H+](C)CC1(O)CCCC1 83587598 572357586 /nfs/dbraw/zinc/35/75/86/572357586.db2.gz HNPVWUBOGQSLIH-UHFFFAOYSA-N 2 2 186.299 0.443 20 0 ACADLP C[C@@H](O)[C@@H](C)[NH2+]CCn1cc[nH+]c1 87128661 572370092 /nfs/dbraw/zinc/37/00/92/572370092.db2.gz PRENNQICLBCPET-RKDXNWHRSA-N 2 2 183.255 0.242 20 0 ACADLP C[C@H](O)[C@H](C)[NH2+]CCn1cc[nH+]c1 87128663 572370446 /nfs/dbraw/zinc/37/04/46/572370446.db2.gz PRENNQICLBCPET-IUCAKERBSA-N 2 2 183.255 0.242 20 0 ACADLP C[C@H]([NH2+]CCn1cc[nH+]c1)[C@@H](C)O 87128659 572371361 /nfs/dbraw/zinc/37/13/61/572371361.db2.gz PRENNQICLBCPET-DTWKUNHWSA-N 2 2 183.255 0.242 20 0 ACADLP C[C@H](O)[C@@H](C)[NH2+]CCn1cc[nH+]c1 87128664 572371693 /nfs/dbraw/zinc/37/16/93/572371693.db2.gz PRENNQICLBCPET-BDAKNGLRSA-N 2 2 183.255 0.242 20 0 ACADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@H](C)[C@@H](C)O 87128850 572373912 /nfs/dbraw/zinc/37/39/12/572373912.db2.gz GIODILKRSHJBBM-OPRDCNLKSA-N 2 2 197.282 0.631 20 0 ACADLP C[C@H]([NH2+][C@H](C)Cn1cc[nH+]c1)[C@@H](C)O 87128847 572374895 /nfs/dbraw/zinc/37/48/95/572374895.db2.gz GIODILKRSHJBBM-KXUCPTDWSA-N 2 2 197.282 0.631 20 0 ACADLP C[C@H](CCCO)[NH2+]Cc1c[nH+]c[nH]1 87358207 572425186 /nfs/dbraw/zinc/42/51/86/572425186.db2.gz QHELVSXHMGVABJ-MRVPVSSYSA-N 2 2 183.255 0.660 20 0 ACADLP C[C@@H](CCCO)[NH2+]Cc1c[nH+]c[nH]1 87358206 572426285 /nfs/dbraw/zinc/42/62/85/572426285.db2.gz QHELVSXHMGVABJ-QMMMGPOBSA-N 2 2 183.255 0.660 20 0 ACADLP CC[C@H](CCO)C[NH2+]Cc1c[nH+]c[nH]1 87362536 572433006 /nfs/dbraw/zinc/43/30/06/572433006.db2.gz NCJNGKHLNWYZPI-SECBINFHSA-N 2 2 197.282 0.908 20 0 ACADLP CC[C@@H](CCO)C[NH2+]Cc1c[nH+]c[nH]1 87362535 572433574 /nfs/dbraw/zinc/43/35/74/572433574.db2.gz NCJNGKHLNWYZPI-VIFPVBQESA-N 2 2 197.282 0.908 20 0 ACADLP C1C[NH2+][C@@H]2[NH2+]CC[C@H]2C1 33791535 572467978 /nfs/dbraw/zinc/46/79/78/572467978.db2.gz SLGBTOVWILTNHZ-RNFRBKRXSA-N 2 2 126.203 0.305 20 0 ACADLP C1C[NH2+][C@@H]2[NH2+]CC[C@@H]2C1 33791536 572468756 /nfs/dbraw/zinc/46/87/56/572468756.db2.gz SLGBTOVWILTNHZ-NKWVEPMBSA-N 2 2 126.203 0.305 20 0 ACADLP C1C[NH2+][C@H]2[NH2+]CC[C@H]2C1 33791533 572468964 /nfs/dbraw/zinc/46/89/64/572468964.db2.gz SLGBTOVWILTNHZ-RQJHMYQMSA-N 2 2 126.203 0.305 20 0 ACADLP C1C[NH2+][C@H]2[NH2+]CC[C@@H]2C1 33791534 572469016 /nfs/dbraw/zinc/46/90/16/572469016.db2.gz SLGBTOVWILTNHZ-BQBZGAKWSA-N 2 2 126.203 0.305 20 0 ACADLP C[NH2+]CCCC(=O)NCc1c[nH+]c[nH]1 84081198 572494625 /nfs/dbraw/zinc/49/46/25/572494625.db2.gz BLHPKOOHIIZURT-UHFFFAOYSA-N 2 2 196.254 0.026 20 0 ACADLP C[NH2+]CCCC(=O)NCc1c[nH]c[nH+]1 84081198 572494629 /nfs/dbraw/zinc/49/46/29/572494629.db2.gz BLHPKOOHIIZURT-UHFFFAOYSA-N 2 2 196.254 0.026 20 0 ACADLP C[C@@H](C[NH3+])[NH2+][C@H]1CCCN(C)C1 235099599 572498365 /nfs/dbraw/zinc/49/83/65/572498365.db2.gz NYCDDHHWYXUDNX-IUCAKERBSA-N 2 2 171.288 0.017 20 0 ACADLP C[NH2+]CCC[N@H+](C)Cc1ccnn1C 87472261 572508633 /nfs/dbraw/zinc/50/86/33/572508633.db2.gz HAFCGHUQMKEYEC-UHFFFAOYSA-N 2 2 196.298 0.461 20 0 ACADLP C[NH2+]CCC[N@@H+](C)Cc1ccnn1C 87472261 572508637 /nfs/dbraw/zinc/50/86/37/572508637.db2.gz HAFCGHUQMKEYEC-UHFFFAOYSA-N 2 2 196.298 0.461 20 0 ACADLP C=C/C=C/CC[N@@H+]1CCO[C@H](C[NH3+])C1 713718950 572512955 /nfs/dbraw/zinc/51/29/55/572512955.db2.gz VTCCIZSTCXGBRI-PGLGOXFNSA-N 2 2 196.294 0.778 20 0 ACADLP C=C/C=C/CC[N@H+]1CCO[C@H](C[NH3+])C1 713718950 572512960 /nfs/dbraw/zinc/51/29/60/572512960.db2.gz VTCCIZSTCXGBRI-PGLGOXFNSA-N 2 2 196.294 0.778 20 0 ACADLP C=C/C=C/CC[N@@H+]1CCO[C@@H](C[NH3+])C1 713718951 572515950 /nfs/dbraw/zinc/51/59/50/572515950.db2.gz VTCCIZSTCXGBRI-UFFNRZRYSA-N 2 2 196.294 0.778 20 0 ACADLP C=C/C=C/CC[N@H+]1CCO[C@@H](C[NH3+])C1 713718951 572515955 /nfs/dbraw/zinc/51/59/55/572515955.db2.gz VTCCIZSTCXGBRI-UFFNRZRYSA-N 2 2 196.294 0.778 20 0 ACADLP C=C/C=C\CC[N@@H+]1CCO[C@H](C[NH3+])C1 713718949 572516452 /nfs/dbraw/zinc/51/64/52/572516452.db2.gz VTCCIZSTCXGBRI-DLRQAJBASA-N 2 2 196.294 0.778 20 0 ACADLP C=C/C=C\CC[N@H+]1CCO[C@H](C[NH3+])C1 713718949 572516453 /nfs/dbraw/zinc/51/64/53/572516453.db2.gz VTCCIZSTCXGBRI-DLRQAJBASA-N 2 2 196.294 0.778 20 0 ACADLP C[C@@H](C[NH3+])[NH2+][C@@H]1CCCN(C)C1 235147848 572549062 /nfs/dbraw/zinc/54/90/62/572549062.db2.gz NYCDDHHWYXUDNX-DTWKUNHWSA-N 2 2 171.288 0.017 20 0 ACADLP Cc1nonc1C[N@@H+]1CC[C@@H](C[NH3+])C1 69795564 572579511 /nfs/dbraw/zinc/57/95/11/572579511.db2.gz CJJSUGITNNUBLD-QMMMGPOBSA-N 2 2 196.254 0.159 20 0 ACADLP Cc1nonc1C[N@H+]1CC[C@@H](C[NH3+])C1 69795564 572579517 /nfs/dbraw/zinc/57/95/17/572579517.db2.gz CJJSUGITNNUBLD-QMMMGPOBSA-N 2 2 196.254 0.159 20 0 ACADLP Cc1nonc1C[N@@H+]1CC[C@H](C[NH3+])C1 69795562 572580850 /nfs/dbraw/zinc/58/08/50/572580850.db2.gz CJJSUGITNNUBLD-MRVPVSSYSA-N 2 2 196.254 0.159 20 0 ACADLP Cc1nonc1C[N@H+]1CC[C@H](C[NH3+])C1 69795562 572580852 /nfs/dbraw/zinc/58/08/52/572580852.db2.gz CJJSUGITNNUBLD-MRVPVSSYSA-N 2 2 196.254 0.159 20 0 ACADLP C[C@@H]1C[C@H]([N@@H+]2CCC[NH2+]CC2)CCO1 69894001 572599173 /nfs/dbraw/zinc/59/91/73/572599173.db2.gz SCLSBKPEZFSIOC-GHMZBOCLSA-N 2 2 198.310 0.849 20 0 ACADLP C[C@@H]1C[C@H]([N@H+]2CCC[NH2+]CC2)CCO1 69894001 572599175 /nfs/dbraw/zinc/59/91/75/572599175.db2.gz SCLSBKPEZFSIOC-GHMZBOCLSA-N 2 2 198.310 0.849 20 0 ACADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](C)C2)CCO1 69890022 572600163 /nfs/dbraw/zinc/60/01/63/572600163.db2.gz CNISAHUMKAOBIS-GMTAPVOTSA-N 2 2 198.310 0.848 20 0 ACADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](C)C2)CCO1 69890022 572600169 /nfs/dbraw/zinc/60/01/69/572600169.db2.gz CNISAHUMKAOBIS-GMTAPVOTSA-N 2 2 198.310 0.848 20 0 ACADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CC[N@H+](C)C2)CCO1 69890028 572602612 /nfs/dbraw/zinc/60/26/12/572602612.db2.gz CNISAHUMKAOBIS-OUAUKWLOSA-N 2 2 198.310 0.848 20 0 ACADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CC[N@@H+](C)C2)CCO1 69890028 572602616 /nfs/dbraw/zinc/60/26/16/572602616.db2.gz CNISAHUMKAOBIS-OUAUKWLOSA-N 2 2 198.310 0.848 20 0 ACADLP C[C@@H](NC[C@@H]1CCC[NH2+]1)c1[nH]cc[nH+]1 235190198 572663751 /nfs/dbraw/zinc/66/37/51/572663751.db2.gz CMTJRWPPJCOQQJ-BDAKNGLRSA-N 2 2 194.282 0.812 20 0 ACADLP C[C@H](CCO)C[NH2+]Cc1c[nH+]c[nH]1 85127819 572667271 /nfs/dbraw/zinc/66/72/71/572667271.db2.gz NVVXRHCDIOBADT-MRVPVSSYSA-N 2 2 183.255 0.518 20 0 ACADLP C[C@@H](CCO)C[NH2+]Cc1c[nH+]c[nH]1 85127816 572667600 /nfs/dbraw/zinc/66/76/00/572667600.db2.gz NVVXRHCDIOBADT-QMMMGPOBSA-N 2 2 183.255 0.518 20 0 ACADLP CCCn1c[nH+]cc1CN(C)CC[NH3+] 85187000 572694370 /nfs/dbraw/zinc/69/43/70/572694370.db2.gz COBYKOZHBYWUMU-UHFFFAOYSA-N 2 2 196.298 0.684 20 0 ACADLP C[NH2+]CCN(C)Cc1c[nH+]cn1C 85170906 572699923 /nfs/dbraw/zinc/69/99/23/572699923.db2.gz JSKMEZHSGNGBJB-UHFFFAOYSA-N 2 2 182.271 0.071 20 0 ACADLP CCn1cc[nH+]c1Cn1cc[nH+]c1N 307348598 572708471 /nfs/dbraw/zinc/70/84/71/572708471.db2.gz NZOFYOOXCYIAHE-UHFFFAOYSA-N 2 2 191.238 0.730 20 0 ACADLP C[NH2+]C[C@@H]1CCC[N@H+](CCF)C1 87775843 572711103 /nfs/dbraw/zinc/71/11/03/572711103.db2.gz XSZOEAUANZEQPZ-VIFPVBQESA-N 2 2 174.263 0.887 20 0 ACADLP C[NH2+]C[C@@H]1CCC[N@@H+](CCF)C1 87775843 572711107 /nfs/dbraw/zinc/71/11/07/572711107.db2.gz XSZOEAUANZEQPZ-VIFPVBQESA-N 2 2 174.263 0.887 20 0 ACADLP C[NH2+]C[C@H]1CCC[N@H+](CCF)C1 87775844 572711237 /nfs/dbraw/zinc/71/12/37/572711237.db2.gz XSZOEAUANZEQPZ-SECBINFHSA-N 2 2 174.263 0.887 20 0 ACADLP C[NH2+]C[C@H]1CCC[N@@H+](CCF)C1 87775844 572711239 /nfs/dbraw/zinc/71/12/39/572711239.db2.gz XSZOEAUANZEQPZ-SECBINFHSA-N 2 2 174.263 0.887 20 0 ACADLP Cn1cc[nH+]c1CN[C@H]1CCC[NH2+]C1 70853069 572747000 /nfs/dbraw/zinc/74/70/00/572747000.db2.gz PLUZINGANOMKDU-VIFPVBQESA-N 2 2 194.282 0.262 20 0 ACADLP OCCCC[NH2+]Cc1c[nH+]c[nH]1 236500330 572791661 /nfs/dbraw/zinc/79/16/61/572791661.db2.gz ORCKMTBJQJUBOA-UHFFFAOYSA-N 2 2 169.228 0.272 20 0 ACADLP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CCOC[C@H]1C 235263940 572822805 /nfs/dbraw/zinc/82/28/05/572822805.db2.gz ANQQWADVDHAACI-MXWKQRLJSA-N 2 2 198.310 0.563 20 0 ACADLP OC1CC[NH+](CCn2cc[nH+]c2)CC1 49856557 572822703 /nfs/dbraw/zinc/82/27/03/572822703.db2.gz DLVAZFKWTHENLR-UHFFFAOYSA-N 2 2 195.266 0.340 20 0 ACADLP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CCOC[C@H]1C 235263940 572822802 /nfs/dbraw/zinc/82/28/02/572822802.db2.gz ANQQWADVDHAACI-MXWKQRLJSA-N 2 2 198.310 0.563 20 0 ACADLP O[C@@H]1CC[C@@H](C[NH2+]Cc2c[nH+]c[nH]2)C1 236534642 572825691 /nfs/dbraw/zinc/82/56/91/572825691.db2.gz AQOBDGLUXUVLDO-PSASIEDQSA-N 2 2 195.266 0.660 20 0 ACADLP O[C@H]1CC[C@@H](C[NH2+]Cc2c[nH+]c[nH]2)C1 236565363 572835164 /nfs/dbraw/zinc/83/51/64/572835164.db2.gz AQOBDGLUXUVLDO-SCZZXKLOSA-N 2 2 195.266 0.660 20 0 ACADLP CC[C@H](O)C[N@@H+]1CCC[C@H]2C[NH2+]C[C@H]21 299893514 572835232 /nfs/dbraw/zinc/83/52/32/572835232.db2.gz LZTDJMYKFNHFIU-GARJFASQSA-N 2 2 198.310 0.441 20 0 ACADLP CC[C@H](O)C[N@H+]1CCC[C@H]2C[NH2+]C[C@H]21 299893514 572835234 /nfs/dbraw/zinc/83/52/34/572835234.db2.gz LZTDJMYKFNHFIU-GARJFASQSA-N 2 2 198.310 0.441 20 0 ACADLP O[C@H]1CC[C@H](C[NH2+]Cc2c[nH+]c[nH]2)C1 236577853 572837622 /nfs/dbraw/zinc/83/76/22/572837622.db2.gz AQOBDGLUXUVLDO-WPRPVWTQSA-N 2 2 195.266 0.660 20 0 ACADLP CC(C)[C@@H](CO)[NH2+]Cc1c[nH+]c[nH]1 86121856 572869649 /nfs/dbraw/zinc/86/96/49/572869649.db2.gz CIGRNBGBZCPAES-SECBINFHSA-N 2 2 183.255 0.516 20 0 ACADLP COCC[N@H+](C)C[C@@H]([NH3+])CC(F)F 308162626 572891654 /nfs/dbraw/zinc/89/16/54/572891654.db2.gz XTGIDTIEYDRBQM-ZETCQYMHSA-N 2 2 196.241 0.547 20 0 ACADLP COCC[N@@H+](C)C[C@@H]([NH3+])CC(F)F 308162626 572891656 /nfs/dbraw/zinc/89/16/56/572891656.db2.gz XTGIDTIEYDRBQM-ZETCQYMHSA-N 2 2 196.241 0.547 20 0 ACADLP C[C@H]([NH3+])C[N@H+](C)CCc1cn[nH]c1 308184569 572908106 /nfs/dbraw/zinc/90/81/06/572908106.db2.gz DXAIYDQPSZTGOX-QMMMGPOBSA-N 2 2 182.271 0.231 20 0 ACADLP C[C@H]([NH3+])C[N@@H+](C)CCc1cn[nH]c1 308184569 572908120 /nfs/dbraw/zinc/90/81/20/572908120.db2.gz DXAIYDQPSZTGOX-QMMMGPOBSA-N 2 2 182.271 0.231 20 0 ACADLP C[C@@H]([NH3+])C[N@H+](C)CCc1cn[nH]c1 308184565 572910061 /nfs/dbraw/zinc/91/00/61/572910061.db2.gz DXAIYDQPSZTGOX-MRVPVSSYSA-N 2 2 182.271 0.231 20 0 ACADLP C[C@@H]([NH3+])C[N@@H+](C)CCc1cn[nH]c1 308184565 572910064 /nfs/dbraw/zinc/91/00/64/572910064.db2.gz DXAIYDQPSZTGOX-MRVPVSSYSA-N 2 2 182.271 0.231 20 0 ACADLP CC[C@H](C[NH2+][C@@H]1CCC[NH2+]C1)OC 308185400 572910353 /nfs/dbraw/zinc/91/03/53/572910353.db2.gz IVVOTWWSDGXBRQ-NXEZZACHSA-N 2 2 186.299 0.753 20 0 ACADLP CC[C@@H](C[NH2+][C@@H]1CCC[NH2+]C1)OC 308185406 572910506 /nfs/dbraw/zinc/91/05/06/572910506.db2.gz IVVOTWWSDGXBRQ-ZJUUUORDSA-N 2 2 186.299 0.753 20 0 ACADLP CC[C@H](C[NH2+][C@H]1CCC[NH2+]C1)OC 308185404 572911967 /nfs/dbraw/zinc/91/19/67/572911967.db2.gz IVVOTWWSDGXBRQ-VHSXEESVSA-N 2 2 186.299 0.753 20 0 ACADLP CC[C@@H](C[NH2+][C@H]1CCC[NH2+]C1)OC 308185401 572912342 /nfs/dbraw/zinc/91/23/42/572912342.db2.gz IVVOTWWSDGXBRQ-UWVGGRQHSA-N 2 2 186.299 0.753 20 0 ACADLP Cc1cn[nH]c1C[NH2+]C(C)(C)C[NH3+] 308196241 572939172 /nfs/dbraw/zinc/93/91/72/572939172.db2.gz MSKDGTRGVAOXNT-UHFFFAOYSA-N 2 2 182.271 0.545 20 0 ACADLP Cc1c[nH]nc1C[NH2+]C(C)(C)C[NH3+] 308196241 572939175 /nfs/dbraw/zinc/93/91/75/572939175.db2.gz MSKDGTRGVAOXNT-UHFFFAOYSA-N 2 2 182.271 0.545 20 0 ACADLP CC(C)(CO)C[NH2+]Cc1c[nH+]c[nH]1 88175080 572973040 /nfs/dbraw/zinc/97/30/40/572973040.db2.gz DWPODVIYCXJPBR-UHFFFAOYSA-N 2 2 183.255 0.518 20 0 ACADLP COc1cccc(C)c1[C@@H]([NH3+])C[NH3+] 104580514 573033673 /nfs/dbraw/zinc/03/36/73/573033673.db2.gz NDOQYBATTZCKML-QMMMGPOBSA-N 2 2 180.251 0.962 20 0 ACADLP C[C@@H]([NH3+])C[N@H+](C)CCCF 88027125 573045444 /nfs/dbraw/zinc/04/54/44/573045444.db2.gz RVZUEZCMIMFYID-SSDOTTSWSA-N 2 2 148.225 0.625 20 0 ACADLP C[C@@H]([NH3+])C[N@@H+](C)CCCF 88027125 573045451 /nfs/dbraw/zinc/04/54/51/573045451.db2.gz RVZUEZCMIMFYID-SSDOTTSWSA-N 2 2 148.225 0.625 20 0 ACADLP C[C@H]([NH3+])C[N@H+](C)CCCF 88027124 573045834 /nfs/dbraw/zinc/04/58/34/573045834.db2.gz RVZUEZCMIMFYID-ZETCQYMHSA-N 2 2 148.225 0.625 20 0 ACADLP C[C@H]([NH3+])C[N@@H+](C)CCCF 88027124 573045840 /nfs/dbraw/zinc/04/58/40/573045840.db2.gz RVZUEZCMIMFYID-ZETCQYMHSA-N 2 2 148.225 0.625 20 0 ACADLP CC[NH2+]CC(=O)Nc1cc[nH+]cc1C 82523269 573085933 /nfs/dbraw/zinc/08/59/33/573085933.db2.gz FGXOIRNVQUGGSX-UHFFFAOYSA-N 2 2 193.250 0.938 20 0 ACADLP COCC1([NH2+]Cc2c[nH+]c[nH]2)CC1 308255894 573097860 /nfs/dbraw/zinc/09/78/60/573097860.db2.gz JFOXZQQQZMIXMJ-UHFFFAOYSA-N 2 2 181.239 0.678 20 0 ACADLP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CCOC[C@@H]1C 82560416 573101759 /nfs/dbraw/zinc/10/17/59/573101759.db2.gz ANQQWADVDHAACI-VWYCJHECSA-N 2 2 198.310 0.563 20 0 ACADLP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CCOC[C@@H]1C 82560416 573101762 /nfs/dbraw/zinc/10/17/62/573101762.db2.gz ANQQWADVDHAACI-VWYCJHECSA-N 2 2 198.310 0.563 20 0 ACADLP Cc1cc(N[C@@H](C)C[NH3+])nc[nH+]1 82576024 573104209 /nfs/dbraw/zinc/10/42/09/573104209.db2.gz IBACLJMNLVALNI-ZETCQYMHSA-N 2 2 166.228 0.544 20 0 ACADLP CCc1cc(N[C@@H](C)C[NH3+])nc[nH+]1 82576546 573108002 /nfs/dbraw/zinc/10/80/02/573108002.db2.gz VTQDKOASDUKQDZ-ZETCQYMHSA-N 2 2 180.255 0.798 20 0 ACADLP Cc1nc(N[C@@H](C)C[NH3+])cc[nH+]1 82576297 573108657 /nfs/dbraw/zinc/10/86/57/573108657.db2.gz HBFBEPIIHSGTBY-LURJTMIESA-N 2 2 166.228 0.544 20 0 ACADLP C[N@@H+]1CCC[C@H]1C(N)=[NH2+] 114700563 573114217 /nfs/dbraw/zinc/11/42/17/573114217.db2.gz VUTXCIIMQDNDTQ-YFKPBYRVSA-N 2 2 127.191 0.017 20 0 ACADLP C[N@H+]1CCC[C@H]1C(N)=[NH2+] 114700563 573114222 /nfs/dbraw/zinc/11/42/22/573114222.db2.gz VUTXCIIMQDNDTQ-YFKPBYRVSA-N 2 2 127.191 0.017 20 0 ACADLP Cl/C=C/C[N@@H+]1C[C@@H]2C[NH2+]C[C@@H]2C1 88288010 573117539 /nfs/dbraw/zinc/11/75/39/573117539.db2.gz DXBCRFZDBGZDPV-YLSDFIPESA-N 2 2 186.686 0.890 20 0 ACADLP Cl/C=C/C[N@H+]1C[C@@H]2C[NH2+]C[C@@H]2C1 88288010 573117540 /nfs/dbraw/zinc/11/75/40/573117540.db2.gz DXBCRFZDBGZDPV-YLSDFIPESA-N 2 2 186.686 0.890 20 0 ACADLP Cc1[nH+]cccc1N1CC[C@H]([NH3+])C1 85728194 573125613 /nfs/dbraw/zinc/12/56/13/573125613.db2.gz YNLCQGTVRZROQI-VIFPVBQESA-N 2 2 177.251 0.927 20 0 ACADLP Cc1[nH+]cccc1N1CC[C@@H]([NH3+])C1 85728200 573129819 /nfs/dbraw/zinc/12/98/19/573129819.db2.gz YNLCQGTVRZROQI-SECBINFHSA-N 2 2 177.251 0.927 20 0 ACADLP C[C@@H](C[NH3+])Nc1cc(N(C)C)[nH+]cn1 258554917 573151823 /nfs/dbraw/zinc/15/18/23/573151823.db2.gz AYRYTIBSPXTACA-ZETCQYMHSA-N 2 2 195.270 0.302 20 0 ACADLP C[C@@H]([NH3+])CNc1cc(N(C)C)[nH+]cn1 258580777 573197239 /nfs/dbraw/zinc/19/72/39/573197239.db2.gz FDKSCEOBDNSFRM-SSDOTTSWSA-N 2 2 195.270 0.302 20 0 ACADLP C[C@H]([NH3+])CNc1cc(N(C)C)[nH+]cn1 258580778 573197345 /nfs/dbraw/zinc/19/73/45/573197345.db2.gz FDKSCEOBDNSFRM-ZETCQYMHSA-N 2 2 195.270 0.302 20 0 ACADLP OC[C@@H]([NH2+]CC[NH+]1CCCC1)C1CC1 308548283 573301237 /nfs/dbraw/zinc/30/12/37/573301237.db2.gz RMOQLAXEFUNTKN-LLVKDONJSA-N 2 2 198.310 0.443 20 0 ACADLP OC[C@H]([NH2+]CC[NH+]1CCCC1)C1CC1 308548285 573301981 /nfs/dbraw/zinc/30/19/81/573301981.db2.gz RMOQLAXEFUNTKN-NSHDSACASA-N 2 2 198.310 0.443 20 0 ACADLP OC1(CC[NH2+]Cc2c[nH+]c[nH]2)CCC1 308551175 573317414 /nfs/dbraw/zinc/31/74/14/573317414.db2.gz XJSAVZDOFPWYID-UHFFFAOYSA-N 2 2 195.266 0.804 20 0 ACADLP [NH3+][C@H]1CCC[C@H]([NH2+]Cc2nnc[nH]2)C1 86403318 573413604 /nfs/dbraw/zinc/41/36/04/573413604.db2.gz GNYMQBAVHHOYSI-YUMQZZPRSA-N 2 2 195.270 0.164 20 0 ACADLP c1ccc(N2C[C@H]3C[NH2+]C[C@@H]3C2)[nH+]c1 83119880 573415376 /nfs/dbraw/zinc/41/53/76/573415376.db2.gz FYPFZIWUUJPLNF-NXEZZACHSA-N 2 2 189.262 0.737 20 0 ACADLP [NH3+]CC[NH2+]CC(=O)Nc1ccccc1 50523056 573447876 /nfs/dbraw/zinc/44/78/76/573447876.db2.gz NOPBOULPCSAVDT-UHFFFAOYSA-N 2 2 193.250 0.173 20 0 ACADLP C[N@@H+]1CC[C@@H]([NH2+][C@@H]2CCCOCC2)C1 83425508 573493495 /nfs/dbraw/zinc/49/34/95/573493495.db2.gz ZSLFAPVIZROBCG-GHMZBOCLSA-N 2 2 198.310 0.849 20 0 ACADLP C[N@H+]1CC[C@@H]([NH2+][C@@H]2CCCOCC2)C1 83425508 573493499 /nfs/dbraw/zinc/49/34/99/573493499.db2.gz ZSLFAPVIZROBCG-GHMZBOCLSA-N 2 2 198.310 0.849 20 0 ACADLP C[NH2+]C[C@H]1CCCn2c[nH+]cc21 107309145 573498836 /nfs/dbraw/zinc/49/88/36/573498836.db2.gz NWYTXCGGAAWKNN-MRVPVSSYSA-N 2 2 165.240 0.980 20 0 ACADLP CC(C)[C@@](C)(O)C[NH2+]Cc1c[nH+]c[nH]1 308610237 573509945 /nfs/dbraw/zinc/50/99/45/573509945.db2.gz LKNGUZAADJVLMX-JTQLQIEISA-N 2 2 197.282 0.906 20 0 ACADLP CC(C)[C@](C)(O)C[NH2+]Cc1c[nH+]c[nH]1 308610241 573511619 /nfs/dbraw/zinc/51/16/19/573511619.db2.gz LKNGUZAADJVLMX-SNVBAGLBSA-N 2 2 197.282 0.906 20 0 ACADLP CN1CCC[C@@H]([NH2+]C(C)(C)C[NH3+])C1 258776486 573562784 /nfs/dbraw/zinc/56/27/84/573562784.db2.gz IFCBSIIWULUXHM-SECBINFHSA-N 2 2 185.315 0.408 20 0 ACADLP CN1CCC[C@H]([NH2+]C(C)(C)C[NH3+])C1 258776489 573564489 /nfs/dbraw/zinc/56/44/89/573564489.db2.gz IFCBSIIWULUXHM-VIFPVBQESA-N 2 2 185.315 0.408 20 0 ACADLP C[C@H](N[C@@H]1CC[NH2+]C1)c1[nH]cc[nH+]1 124707798 573591238 /nfs/dbraw/zinc/59/12/38/573591238.db2.gz CZWQYLKRTAWGBA-JGVFFNPUSA-N 2 2 180.255 0.422 20 0 ACADLP Cl/C=C\C[N@@H+]1C[C@@H]2C[NH2+]C[C@@H]2C1 215475579 573604209 /nfs/dbraw/zinc/60/42/09/573604209.db2.gz DXBCRFZDBGZDPV-HBLOBNAQSA-N 2 2 186.686 0.890 20 0 ACADLP Cl/C=C\C[N@H+]1C[C@@H]2C[NH2+]C[C@@H]2C1 215475579 573604212 /nfs/dbraw/zinc/60/42/12/573604212.db2.gz DXBCRFZDBGZDPV-HBLOBNAQSA-N 2 2 186.686 0.890 20 0 ACADLP C[C@H](CCO)[NH2+][C@H](C)Cn1cc[nH+]c1 308643753 573623043 /nfs/dbraw/zinc/62/30/43/573623043.db2.gz GHACGUHPWACQKU-NXEZZACHSA-N 2 2 197.282 0.632 20 0 ACADLP C[C@@H](CCO)[NH2+][C@@H](C)Cn1cc[nH+]c1 308643754 573624247 /nfs/dbraw/zinc/62/42/47/573624247.db2.gz GHACGUHPWACQKU-UWVGGRQHSA-N 2 2 197.282 0.632 20 0 ACADLP C[C@@H](CCO)[NH2+][C@H](C)Cn1cc[nH+]c1 308643755 573623576 /nfs/dbraw/zinc/62/35/76/573623576.db2.gz GHACGUHPWACQKU-VHSXEESVSA-N 2 2 197.282 0.632 20 0 ACADLP [NH3+]CC(C[NH3+])NCC1CCCCC1 308654425 573646859 /nfs/dbraw/zinc/64/68/59/573646859.db2.gz NCWBPLUPGDTYLH-UHFFFAOYSA-N 2 2 185.315 0.442 20 0 ACADLP NCC(C[NH3+])[NH2+]CC1CCCCC1 308654425 573646864 /nfs/dbraw/zinc/64/68/64/573646864.db2.gz NCWBPLUPGDTYLH-UHFFFAOYSA-N 2 2 185.315 0.442 20 0 ACADLP C[N@H+](CCF)[C@H](C[NH3+])C1CC1 126745925 573674443 /nfs/dbraw/zinc/67/44/43/573674443.db2.gz PXMCDOQXHVPXQP-MRVPVSSYSA-N 2 2 160.236 0.625 20 0 ACADLP C[N@@H+](CCF)[C@H](C[NH3+])C1CC1 126745925 573674448 /nfs/dbraw/zinc/67/44/48/573674448.db2.gz PXMCDOQXHVPXQP-MRVPVSSYSA-N 2 2 160.236 0.625 20 0 ACADLP C[C@@H](CCCC[NH3+])[NH2+][C@@H]1CC[N@H+](C)C1 308689283 573705014 /nfs/dbraw/zinc/70/50/14/573705014.db2.gz QXIKAGGPKREVSK-WDEREUQCSA-N 3 2 199.342 0.798 20 0 ACADLP C[C@@H](CCCC[NH3+])[NH2+][C@@H]1CC[N@@H+](C)C1 308689283 573705016 /nfs/dbraw/zinc/70/50/16/573705016.db2.gz QXIKAGGPKREVSK-WDEREUQCSA-N 3 2 199.342 0.798 20 0 ACADLP C[C@H](CCCC[NH3+])[NH2+][C@H]1CC[N@@H+](C)C1 308689279 573708115 /nfs/dbraw/zinc/70/81/15/573708115.db2.gz QXIKAGGPKREVSK-MNOVXSKESA-N 3 2 199.342 0.798 20 0 ACADLP C[C@H](CCCC[NH3+])[NH2+][C@H]1CC[N@H+](C)C1 308689279 573708110 /nfs/dbraw/zinc/70/81/10/573708110.db2.gz QXIKAGGPKREVSK-MNOVXSKESA-N 3 2 199.342 0.798 20 0 ACADLP C[C@@H](CCCC[NH3+])[NH2+][C@H]1CC[N@H+](C)C1 308689281 573708802 /nfs/dbraw/zinc/70/88/02/573708802.db2.gz QXIKAGGPKREVSK-QWRGUYRKSA-N 3 2 199.342 0.798 20 0 ACADLP C[C@@H](CCCC[NH3+])[NH2+][C@H]1CC[N@@H+](C)C1 308689281 573708809 /nfs/dbraw/zinc/70/88/09/573708809.db2.gz QXIKAGGPKREVSK-QWRGUYRKSA-N 3 2 199.342 0.798 20 0 ACADLP c1[nH]c(C[NH2+][C@H]2CCOC2)c[nH+]1 84080865 573765397 /nfs/dbraw/zinc/76/53/97/573765397.db2.gz ZVNSOAILFXAWSU-ZETCQYMHSA-N 2 2 167.212 0.288 20 0 ACADLP Cc1cc[nH+]cc1CCC[NH2+]CCO 308737251 573784646 /nfs/dbraw/zinc/78/46/46/573784646.db2.gz MDJJCGZKBKWDHA-UHFFFAOYSA-N 2 2 194.278 0.905 20 0 ACADLP C[C@H](NC(=O)CCC[NH3+])c1[nH]cc[nH+]1 125116230 573797067 /nfs/dbraw/zinc/79/70/67/573797067.db2.gz XAWVVSBBHSVSFX-ZETCQYMHSA-N 2 2 196.254 0.326 20 0 ACADLP C[C@@H]1COC[C@H]1[NH2+]CCn1cc[nH+]c1 687966345 573828435 /nfs/dbraw/zinc/82/84/35/573828435.db2.gz NUUWWIQMFQIHJU-NXEZZACHSA-N 2 2 195.266 0.508 20 0 ACADLP C[N@@H+]1CCC[C@@H](NCC2([NH3+])CC2)C1 258966924 573839437 /nfs/dbraw/zinc/83/94/37/573839437.db2.gz BEQRUVHONNAKOF-SECBINFHSA-N 2 2 183.299 0.162 20 0 ACADLP C[N@H+]1CCC[C@@H](NCC2([NH3+])CC2)C1 258966924 573839442 /nfs/dbraw/zinc/83/94/42/573839442.db2.gz BEQRUVHONNAKOF-SECBINFHSA-N 2 2 183.299 0.162 20 0 ACADLP CN1CCC[C@@H]([NH2+]CC2([NH3+])CC2)C1 258966924 573839447 /nfs/dbraw/zinc/83/94/47/573839447.db2.gz BEQRUVHONNAKOF-SECBINFHSA-N 2 2 183.299 0.162 20 0 ACADLP C[N@@H+]1CCC[C@H](NCC2([NH3+])CC2)C1 258966926 573841523 /nfs/dbraw/zinc/84/15/23/573841523.db2.gz BEQRUVHONNAKOF-VIFPVBQESA-N 2 2 183.299 0.162 20 0 ACADLP C[N@H+]1CCC[C@H](NCC2([NH3+])CC2)C1 258966926 573841529 /nfs/dbraw/zinc/84/15/29/573841529.db2.gz BEQRUVHONNAKOF-VIFPVBQESA-N 2 2 183.299 0.162 20 0 ACADLP CN1CCC[C@H]([NH2+]CC2([NH3+])CC2)C1 258966926 573841536 /nfs/dbraw/zinc/84/15/36/573841536.db2.gz BEQRUVHONNAKOF-VIFPVBQESA-N 2 2 183.299 0.162 20 0 ACADLP C[C@H](O)C[NH2+]CC[NH+]1CCCCC1 41581998 573905008 /nfs/dbraw/zinc/90/50/08/573905008.db2.gz BXTVBBPXOAPLSQ-JTQLQIEISA-N 2 2 186.299 0.443 20 0 ACADLP CC[C@@H](O)CC[NH2+]Cc1c[nH+]c[nH]1 131716398 573909495 /nfs/dbraw/zinc/90/94/95/573909495.db2.gz AAUJQFXWSSMXNA-SECBINFHSA-N 2 2 183.255 0.660 20 0 ACADLP C[C@H](O)C[NH2+]C[C@@H]1CCCC[N@H+]1C 44562786 573916116 /nfs/dbraw/zinc/91/61/16/573916116.db2.gz PJWHDMCZFNDWQX-UWVGGRQHSA-N 2 2 186.299 0.441 20 0 ACADLP C[C@H](O)C[NH2+]C[C@@H]1CCCC[N@@H+]1C 44562786 573916111 /nfs/dbraw/zinc/91/61/11/573916111.db2.gz PJWHDMCZFNDWQX-UWVGGRQHSA-N 2 2 186.299 0.441 20 0 ACADLP C[NH2+]CC[N@H+](C)[C@@H](C)COC 42519293 573966306 /nfs/dbraw/zinc/96/63/06/573966306.db2.gz WXJMAMMVVQZBKA-QMMMGPOBSA-N 2 2 160.261 0.173 20 0 ACADLP C[NH2+]CC[N@@H+](C)[C@@H](C)COC 42519293 573966310 /nfs/dbraw/zinc/96/63/10/573966310.db2.gz WXJMAMMVVQZBKA-QMMMGPOBSA-N 2 2 160.261 0.173 20 0 ACADLP C[NH+]1CCN(Cc2[nH]cc[nH+]2)CC1 104390260 573973072 /nfs/dbraw/zinc/97/30/72/573973072.db2.gz XRNXDMJVCSNJPS-UHFFFAOYSA-N 2 2 180.255 0.157 20 0 ACADLP [NH3+]C1CC([NH2+]Cc2cscn2)C1 87651955 573994236 /nfs/dbraw/zinc/99/42/36/573994236.db2.gz MINRDHHIWPQMOU-UHFFFAOYSA-N 2 2 183.280 0.722 20 0 ACADLP C[C@H]([NH2+]Cc1cnccn1)C1C[NH2+]C1 686251891 573994262 /nfs/dbraw/zinc/99/42/62/573994262.db2.gz ZCSKTBSCGHIQEM-QMMMGPOBSA-N 2 2 192.266 0.174 20 0 ACADLP Cc1noc(C)c1C[NH2+]C1CC([NH3+])C1 87652143 573996035 /nfs/dbraw/zinc/99/60/35/573996035.db2.gz SNBQGDXNOGYSSD-UHFFFAOYSA-N 2 2 195.266 0.871 20 0 ACADLP CO[C@@H](C[NH3+])c1c[nH+]cn1C 85182796 573999493 /nfs/dbraw/zinc/99/94/93/573999493.db2.gz FSQSWDHYPGGKOA-ZETCQYMHSA-N 2 2 155.201 0.066 20 0 ACADLP CO[C@H](C[NH3+])c1c[nH+]cn1C 85182794 573999752 /nfs/dbraw/zinc/99/97/52/573999752.db2.gz FSQSWDHYPGGKOA-SSDOTTSWSA-N 2 2 155.201 0.066 20 0 ACADLP FCC[N@@H+]1C[C@@H]2C[NH2+]C[C@@H]2C1 87689890 574019273 /nfs/dbraw/zinc/01/92/73/574019273.db2.gz MWLFIQGDYBJJHC-OCAPTIKFSA-N 2 2 158.220 0.107 20 0 ACADLP FCC[N@H+]1C[C@@H]2C[NH2+]C[C@@H]2C1 87689890 574019275 /nfs/dbraw/zinc/01/92/75/574019275.db2.gz MWLFIQGDYBJJHC-OCAPTIKFSA-N 2 2 158.220 0.107 20 0 ACADLP CC(C)[C@@H](C[NH+](C)C)[NH2+]C[C@H](C)O 49205082 574026401 /nfs/dbraw/zinc/02/64/01/574026401.db2.gz DHEVFEMNCUBWQM-VHSXEESVSA-N 2 2 188.315 0.543 20 0 ACADLP CC(C)[C@H](C[NH+](C)C)[NH2+]C[C@H](C)O 49205085 574026954 /nfs/dbraw/zinc/02/69/54/574026954.db2.gz DHEVFEMNCUBWQM-UWVGGRQHSA-N 2 2 188.315 0.543 20 0 ACADLP CC(C)[C@H](C[NH+](C)C)[NH2+]C[C@@H](C)O 49205079 574027286 /nfs/dbraw/zinc/02/72/86/574027286.db2.gz DHEVFEMNCUBWQM-ZJUUUORDSA-N 2 2 188.315 0.543 20 0 ACADLP CC[C@@H](CO)[NH2+]CCCn1cc[nH+]c1 49327947 574028912 /nfs/dbraw/zinc/02/89/12/574028912.db2.gz AZGXTSGCEFXIBZ-JTQLQIEISA-N 2 2 197.282 0.634 20 0 ACADLP [NH3+]C[C@H]1CCC[N@@H+]1CCF 87775787 574030757 /nfs/dbraw/zinc/03/07/57/574030757.db2.gz AEMBCQDYWWIQJG-SSDOTTSWSA-N 2 2 146.209 0.379 20 0 ACADLP CC[C@H](CO)[NH2+]CCCn1cc[nH+]c1 49327949 574029989 /nfs/dbraw/zinc/02/99/89/574029989.db2.gz AZGXTSGCEFXIBZ-SNVBAGLBSA-N 2 2 197.282 0.634 20 0 ACADLP C[NH2+]C[C@@H]1CC[N@H+](CCF)C1 87776593 574030559 /nfs/dbraw/zinc/03/05/59/574030559.db2.gz RAYVXXKQPHSARG-QMMMGPOBSA-N 2 2 160.236 0.497 20 0 ACADLP C[NH2+]C[C@@H]1CC[N@@H+](CCF)C1 87776593 574030560 /nfs/dbraw/zinc/03/05/60/574030560.db2.gz RAYVXXKQPHSARG-QMMMGPOBSA-N 2 2 160.236 0.497 20 0 ACADLP [NH3+]C[C@H]1CCC[N@H+]1CCF 87775787 574030760 /nfs/dbraw/zinc/03/07/60/574030760.db2.gz AEMBCQDYWWIQJG-SSDOTTSWSA-N 2 2 146.209 0.379 20 0 ACADLP C[N@H+](CCF)C1CC[NH2+]CC1 87776555 574030862 /nfs/dbraw/zinc/03/08/62/574030862.db2.gz GKKUZVTWGIQZJA-UHFFFAOYSA-N 2 2 160.236 0.640 20 0 ACADLP C[N@@H+](CCF)C1CC[NH2+]CC1 87776555 574030864 /nfs/dbraw/zinc/03/08/64/574030864.db2.gz GKKUZVTWGIQZJA-UHFFFAOYSA-N 2 2 160.236 0.640 20 0 ACADLP C[NH2+][C@@H]1CC[N@@H+]([C@@H]2CCOC2)C1 87787539 574036056 /nfs/dbraw/zinc/03/60/56/574036056.db2.gz PDYOGVLHJYCFLD-RKDXNWHRSA-N 2 2 170.256 0.069 20 0 ACADLP C[NH2+][C@@H]1CC[N@H+]([C@@H]2CCOC2)C1 87787539 574036057 /nfs/dbraw/zinc/03/60/57/574036057.db2.gz PDYOGVLHJYCFLD-RKDXNWHRSA-N 2 2 170.256 0.069 20 0 ACADLP C1C[NH2+]C[C@H]([NH2+][C@H]2CCOC2)C1 87784934 574036220 /nfs/dbraw/zinc/03/62/20/574036220.db2.gz DIICIUAZIVJBIS-BDAKNGLRSA-N 2 2 170.256 0.117 20 0 ACADLP C[NH2+][C@H]1CC[N@@H+]([C@@H]2CCOC2)C1 87787541 574036246 /nfs/dbraw/zinc/03/62/46/574036246.db2.gz PDYOGVLHJYCFLD-DTWKUNHWSA-N 2 2 170.256 0.069 20 0 ACADLP C[NH2+][C@H]1CC[N@H+]([C@@H]2CCOC2)C1 87787541 574036249 /nfs/dbraw/zinc/03/62/49/574036249.db2.gz PDYOGVLHJYCFLD-DTWKUNHWSA-N 2 2 170.256 0.069 20 0 ACADLP CCCCC[N@@H+]1CCO[C@H](C[NH3+])C1 11886060 486710312 /nfs/dbraw/zinc/71/03/12/486710312.db2.gz SDMOTMZHUIQXRN-SNVBAGLBSA-N 2 2 186.299 0.836 20 0 ACADLP CCCCC[N@H+]1CCO[C@H](C[NH3+])C1 11886060 486710315 /nfs/dbraw/zinc/71/03/15/486710315.db2.gz SDMOTMZHUIQXRN-SNVBAGLBSA-N 2 2 186.299 0.836 20 0 ACADLP CCCCC[N@@H+]1CCO[C@@H](C[NH3+])C1 11886058 486710606 /nfs/dbraw/zinc/71/06/06/486710606.db2.gz SDMOTMZHUIQXRN-JTQLQIEISA-N 2 2 186.299 0.836 20 0 ACADLP CCCCC[N@H+]1CCO[C@@H](C[NH3+])C1 11886058 486710610 /nfs/dbraw/zinc/71/06/10/486710610.db2.gz SDMOTMZHUIQXRN-JTQLQIEISA-N 2 2 186.299 0.836 20 0 ACADLP C[NH2+]CCC[N@@H+]1C[C@H](C)OC[C@H]1C 42409578 486725078 /nfs/dbraw/zinc/72/50/78/486725078.db2.gz BBPWMQFZHPGBEW-ZJUUUORDSA-N 2 2 186.299 0.705 20 0 ACADLP C[NH2+]CCC[N@H+]1C[C@H](C)OC[C@H]1C 42409578 486725083 /nfs/dbraw/zinc/72/50/83/486725083.db2.gz BBPWMQFZHPGBEW-ZJUUUORDSA-N 2 2 186.299 0.705 20 0 ACADLP C[NH2+]CCC[N@@H+]1CCO[C@H](C)C1 42409223 486725327 /nfs/dbraw/zinc/72/53/27/486725327.db2.gz MQYXEZLIFKCJLB-SECBINFHSA-N 2 2 172.272 0.317 20 0 ACADLP C[NH2+]CCC[N@H+]1CCO[C@H](C)C1 42409223 486725330 /nfs/dbraw/zinc/72/53/30/486725330.db2.gz MQYXEZLIFKCJLB-SECBINFHSA-N 2 2 172.272 0.317 20 0 ACADLP C[NH2+]CCC[N@@H+]1CCO[C@@H](C)C1 42409224 486725337 /nfs/dbraw/zinc/72/53/37/486725337.db2.gz MQYXEZLIFKCJLB-VIFPVBQESA-N 2 2 172.272 0.317 20 0 ACADLP C[NH2+]CCC[N@H+]1CCO[C@@H](C)C1 42409224 486725344 /nfs/dbraw/zinc/72/53/44/486725344.db2.gz MQYXEZLIFKCJLB-VIFPVBQESA-N 2 2 172.272 0.317 20 0 ACADLP C[NH2+]CCC[N@@H+]1CCOC(C)(C)C1 42409638 486725352 /nfs/dbraw/zinc/72/53/52/486725352.db2.gz DAEQFIZJWHEVJK-UHFFFAOYSA-N 2 2 186.299 0.707 20 0 ACADLP C[NH2+]CCC[N@H+]1CCOC(C)(C)C1 42409638 486725358 /nfs/dbraw/zinc/72/53/58/486725358.db2.gz DAEQFIZJWHEVJK-UHFFFAOYSA-N 2 2 186.299 0.707 20 0 ACADLP CC[C@H]1C[N@H+](CCC[NH2+]C)CCO1 42409586 486725402 /nfs/dbraw/zinc/72/54/02/486725402.db2.gz YVVRXXMHCHBMEO-JTQLQIEISA-N 2 2 186.299 0.707 20 0 ACADLP CC[C@H]1C[N@@H+](CCC[NH2+]C)CCO1 42409586 486725406 /nfs/dbraw/zinc/72/54/06/486725406.db2.gz YVVRXXMHCHBMEO-JTQLQIEISA-N 2 2 186.299 0.707 20 0 ACADLP CC[C@@H]1COCC[N@@H+]1CCC[NH2+]C 42409644 486725450 /nfs/dbraw/zinc/72/54/50/486725450.db2.gz UXGGMYSAWIJUHN-SNVBAGLBSA-N 2 2 186.299 0.707 20 0 ACADLP CC[C@@H]1COCC[N@H+]1CCC[NH2+]C 42409644 486725453 /nfs/dbraw/zinc/72/54/53/486725453.db2.gz UXGGMYSAWIJUHN-SNVBAGLBSA-N 2 2 186.299 0.707 20 0 ACADLP CC[C@H]1COCC[N@@H+]1CCC[NH2+]C 42409645 486725669 /nfs/dbraw/zinc/72/56/69/486725669.db2.gz UXGGMYSAWIJUHN-JTQLQIEISA-N 2 2 186.299 0.707 20 0 ACADLP CC[C@H]1COCC[N@H+]1CCC[NH2+]C 42409645 486725671 /nfs/dbraw/zinc/72/56/71/486725671.db2.gz UXGGMYSAWIJUHN-JTQLQIEISA-N 2 2 186.299 0.707 20 0 ACADLP CC[C@@H]1C[N@H+](CCC[NH2+]C)CCO1 42409585 486725682 /nfs/dbraw/zinc/72/56/82/486725682.db2.gz YVVRXXMHCHBMEO-SNVBAGLBSA-N 2 2 186.299 0.707 20 0 ACADLP CC[C@@H]1C[N@@H+](CCC[NH2+]C)CCO1 42409585 486725689 /nfs/dbraw/zinc/72/56/89/486725689.db2.gz YVVRXXMHCHBMEO-SNVBAGLBSA-N 2 2 186.299 0.707 20 0 ACADLP C[N@H+](CCO)CC[NH2+]C(C)(C)C 42409702 486725724 /nfs/dbraw/zinc/72/57/24/486725724.db2.gz JCUSOFDNMIXZRH-UHFFFAOYSA-N 2 2 174.288 0.299 20 0 ACADLP C[N@@H+](CCO)CC[NH2+]C(C)(C)C 42409702 486725729 /nfs/dbraw/zinc/72/57/29/486725729.db2.gz JCUSOFDNMIXZRH-UHFFFAOYSA-N 2 2 174.288 0.299 20 0 ACADLP C[NH2+]CCC[N@@H+]1C[C@@H](C)OC[C@H]1C 42409577 486725810 /nfs/dbraw/zinc/72/58/10/486725810.db2.gz BBPWMQFZHPGBEW-NXEZZACHSA-N 2 2 186.299 0.705 20 0 ACADLP C[NH2+]CCC[N@H+]1C[C@@H](C)OC[C@H]1C 42409577 486725814 /nfs/dbraw/zinc/72/58/14/486725814.db2.gz BBPWMQFZHPGBEW-NXEZZACHSA-N 2 2 186.299 0.705 20 0 ACADLP C[NH2+]CCC[N@@H+]1C[C@H](C)O[C@H](C)C1 42409210 486725891 /nfs/dbraw/zinc/72/58/91/486725891.db2.gz ZHNOMAALXCJCCQ-AOOOYVTPSA-N 2 2 186.299 0.705 20 0 ACADLP C[NH2+]CCC[N@H+]1C[C@H](C)O[C@H](C)C1 42409210 486725896 /nfs/dbraw/zinc/72/58/96/486725896.db2.gz ZHNOMAALXCJCCQ-AOOOYVTPSA-N 2 2 186.299 0.705 20 0 ACADLP CC[C@H](O)C[NH2+]CCn1cc[nH+]c1 42541361 486727493 /nfs/dbraw/zinc/72/74/93/486727493.db2.gz NYFJCHXHVUEVHK-VIFPVBQESA-N 2 2 183.255 0.244 20 0 ACADLP CC[C@@H](O)C[NH2+]CCn1cc[nH+]c1 42541363 486727539 /nfs/dbraw/zinc/72/75/39/486727539.db2.gz NYFJCHXHVUEVHK-SECBINFHSA-N 2 2 183.255 0.244 20 0 ACADLP CC(C)C[NH2+]C[C@H]1C[NH2+]CCO1 43802451 486728001 /nfs/dbraw/zinc/72/80/01/486728001.db2.gz QLTIUQRLLHROLP-SECBINFHSA-N 2 2 172.272 0.220 20 0 ACADLP CC(C)C[NH2+]C[C@@H]1C[NH2+]CCO1 43802449 486728377 /nfs/dbraw/zinc/72/83/77/486728377.db2.gz QLTIUQRLLHROLP-VIFPVBQESA-N 2 2 172.272 0.220 20 0 ACADLP C[N@H+](CCC[NH3+])CCC[NH+]1CCCC1 49332047 486732199 /nfs/dbraw/zinc/73/21/99/486732199.db2.gz XQYPITLMTASPGW-UHFFFAOYSA-N 3 2 199.342 0.753 20 0 ACADLP C[N@@H+](CCC[NH3+])CCC[NH+]1CCCC1 49332047 486732204 /nfs/dbraw/zinc/73/22/04/486732204.db2.gz XQYPITLMTASPGW-UHFFFAOYSA-N 3 2 199.342 0.753 20 0 ACADLP C[N@H+](CCO)CCCn1cc[nH+]c1 50104663 486736066 /nfs/dbraw/zinc/73/60/66/486736066.db2.gz JYPHBLLKIIGHFP-UHFFFAOYSA-N 2 2 183.255 0.197 20 0 ACADLP C[N@@H+](CCO)CCCn1cc[nH+]c1 50104663 486736071 /nfs/dbraw/zinc/73/60/71/486736071.db2.gz JYPHBLLKIIGHFP-UHFFFAOYSA-N 2 2 183.255 0.197 20 0 ACADLP CCC[N@H+](CCO)CCn1cc[nH+]c1 49826805 486736206 /nfs/dbraw/zinc/73/62/06/486736206.db2.gz QCGOTNXVNGIOQA-UHFFFAOYSA-N 2 2 197.282 0.587 20 0 ACADLP CCC[N@@H+](CCO)CCn1cc[nH+]c1 49826805 486736211 /nfs/dbraw/zinc/73/62/11/486736211.db2.gz QCGOTNXVNGIOQA-UHFFFAOYSA-N 2 2 197.282 0.587 20 0 ACADLP OC[C@@H]1CCC[N@@H+]1CCn1cc[nH+]c1 50113605 486736471 /nfs/dbraw/zinc/73/64/71/486736471.db2.gz VIDZHYWELLRUMA-JTQLQIEISA-N 2 2 195.266 0.340 20 0 ACADLP OC[C@@H]1CCC[N@H+]1CCn1cc[nH+]c1 50113605 486736479 /nfs/dbraw/zinc/73/64/79/486736479.db2.gz VIDZHYWELLRUMA-JTQLQIEISA-N 2 2 195.266 0.340 20 0 ACADLP CC(C)[N@H+](CCO)CCn1cc[nH+]c1 49826807 486736700 /nfs/dbraw/zinc/73/67/00/486736700.db2.gz GHNOGZHWNPXBPN-UHFFFAOYSA-N 2 2 197.282 0.586 20 0 ACADLP CC(C)[N@@H+](CCO)CCn1cc[nH+]c1 49826807 486736705 /nfs/dbraw/zinc/73/67/05/486736705.db2.gz GHNOGZHWNPXBPN-UHFFFAOYSA-N 2 2 197.282 0.586 20 0 ACADLP OCC[N@H+](CCn1cc[nH+]c1)C1CC1 50103913 486736946 /nfs/dbraw/zinc/73/69/46/486736946.db2.gz 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486798929 /nfs/dbraw/zinc/79/89/29/486798929.db2.gz UWZBGYSOLLBLIX-JGVFFNPUSA-N 2 2 172.297 0.525 20 0 ACADLP [NH3+][C@H]1CCC[N@H+]2CCSC[C@H]12 74309857 486798933 /nfs/dbraw/zinc/79/89/33/486798933.db2.gz UWZBGYSOLLBLIX-JGVFFNPUSA-N 2 2 172.297 0.525 20 0 ACADLP [NH3+][C@H]1CCC[N@@H+]2CCSC[C@@H]12 74309854 486798953 /nfs/dbraw/zinc/79/89/53/486798953.db2.gz UWZBGYSOLLBLIX-YUMQZZPRSA-N 2 2 172.297 0.525 20 0 ACADLP [NH3+][C@H]1CCC[N@H+]2CCSC[C@@H]12 74309854 486798958 /nfs/dbraw/zinc/79/89/58/486798958.db2.gz UWZBGYSOLLBLIX-YUMQZZPRSA-N 2 2 172.297 0.525 20 0 ACADLP [NH3+][C@@H]1CCC[N@@H+]2CCSC[C@H]12 74309860 486799104 /nfs/dbraw/zinc/79/91/04/486799104.db2.gz UWZBGYSOLLBLIX-HTQZYQBOSA-N 2 2 172.297 0.525 20 0 ACADLP [NH3+][C@@H]1CCC[N@H+]2CCSC[C@H]12 74309860 486799109 /nfs/dbraw/zinc/79/91/09/486799109.db2.gz UWZBGYSOLLBLIX-HTQZYQBOSA-N 2 2 172.297 0.525 20 0 ACADLP [NH3+][C@@H]1CCC[N@@H+]2CCSC[C@@H]12 74309856 486799181 /nfs/dbraw/zinc/79/91/81/486799181.db2.gz UWZBGYSOLLBLIX-SFYZADRCSA-N 2 2 172.297 0.525 20 0 ACADLP C[N@H+](CC[NH3+])CCCc1ccncc1 77278355 486802325 /nfs/dbraw/zinc/80/23/25/486802325.db2.gz YWHCEMFLJKURJI-UHFFFAOYSA-N 2 2 193.294 0.905 20 0 ACADLP C[N@@H+](CC[NH3+])CCCc1ccncc1 77278355 486802329 /nfs/dbraw/zinc/80/23/29/486802329.db2.gz YWHCEMFLJKURJI-UHFFFAOYSA-N 2 2 193.294 0.905 20 0 ACADLP C[NH2+]CCC[N@H+](C)C1CC[NH2+]CC1 78843713 486803251 /nfs/dbraw/zinc/80/32/51/486803251.db2.gz BLEYUSZFWLUQOG-UHFFFAOYSA-N 3 2 185.315 0.280 20 0 ACADLP C[NH2+]CCC[N@@H+](C)C1CC[NH2+]CC1 78843713 486803258 /nfs/dbraw/zinc/80/32/58/486803258.db2.gz BLEYUSZFWLUQOG-UHFFFAOYSA-N 3 2 185.315 0.280 20 0 ACADLP C1=C(c2[nH]cc[nH+]2)CC[NH2+]C1 78071289 486803482 /nfs/dbraw/zinc/80/34/82/486803482.db2.gz KTLMQOOXWUMZJM-UHFFFAOYSA-N 2 2 149.197 0.786 20 0 ACADLP CCC[N@H+](CCC[NH3+])C1CC[NH2+]CC1 78843559 486803505 /nfs/dbraw/zinc/80/35/05/486803505.db2.gz KXWOACMAKKHZTN-UHFFFAOYSA-N 3 2 199.342 0.799 20 0 ACADLP CCC[N@@H+](CCC[NH3+])C1CC[NH2+]CC1 78843559 486803510 /nfs/dbraw/zinc/80/35/10/486803510.db2.gz KXWOACMAKKHZTN-UHFFFAOYSA-N 3 2 199.342 0.799 20 0 ACADLP C[N@H+](CCC[NH3+])C1CC[NH2+]CC1 82022097 486805769 /nfs/dbraw/zinc/80/57/69/486805769.db2.gz WRUCRDMZQQGOFK-UHFFFAOYSA-N 3 2 171.288 0.019 20 0 ACADLP C[N@@H+](CCC[NH3+])C1CC[NH2+]CC1 82022097 486805777 /nfs/dbraw/zinc/80/57/77/486805777.db2.gz WRUCRDMZQQGOFK-UHFFFAOYSA-N 3 2 171.288 0.019 20 0 ACADLP C[NH2+][C@H]1CC[N@@H+]([C@@H](C)CCOC)C1 81715685 486806014 /nfs/dbraw/zinc/80/60/14/486806014.db2.gz AVOCHSPVJZJDNZ-UWVGGRQHSA-N 2 2 186.299 0.705 20 0 ACADLP C[NH2+][C@H]1CC[N@H+]([C@@H](C)CCOC)C1 81715685 486806023 /nfs/dbraw/zinc/80/60/23/486806023.db2.gz AVOCHSPVJZJDNZ-UWVGGRQHSA-N 2 2 186.299 0.705 20 0 ACADLP C[NH2+][C@H]1CC[N@@H+]([C@H](C)CCOC)C1 81715694 486806218 /nfs/dbraw/zinc/80/62/18/486806218.db2.gz AVOCHSPVJZJDNZ-ZJUUUORDSA-N 2 2 186.299 0.705 20 0 ACADLP C[NH2+][C@H]1CC[N@H+]([C@H](C)CCOC)C1 81715694 486806220 /nfs/dbraw/zinc/80/62/20/486806220.db2.gz AVOCHSPVJZJDNZ-ZJUUUORDSA-N 2 2 186.299 0.705 20 0 ACADLP C[NH2+][C@@H](C)C(=O)Nc1cc[nH+]cc1C 82248326 486808462 /nfs/dbraw/zinc/80/84/62/486808462.db2.gz UNCAVIIPLPUCDL-QMMMGPOBSA-N 2 2 193.250 0.936 20 0 ACADLP Cc1c[nH+]ccc1NC(=O)C[NH3+] 82247925 486808481 /nfs/dbraw/zinc/80/84/81/486808481.db2.gz CQGODGXRHCZIMP-UHFFFAOYSA-N 2 2 165.196 0.287 20 0 ACADLP C[NH2+]CCC(=O)Nc1cc[nH+]cc1C 82248732 486808526 /nfs/dbraw/zinc/80/85/26/486808526.db2.gz XKZHKISSDFNSPQ-UHFFFAOYSA-N 2 2 193.250 0.938 20 0 ACADLP C[NH2+]CCC(=O)Nc1cc[nH+]c(C)c1 82248731 486808803 /nfs/dbraw/zinc/80/88/03/486808803.db2.gz PTWXIMUWQGUCEH-UHFFFAOYSA-N 2 2 193.250 0.938 20 0 ACADLP CCC[N@H+](CCOC)[C@@H]1CC[NH2+]C1 82425360 486812885 /nfs/dbraw/zinc/81/28/85/486812885.db2.gz MIOFBAYVCCACNJ-SNVBAGLBSA-N 2 2 186.299 0.707 20 0 ACADLP CCC[N@@H+](CCOC)[C@@H]1CC[NH2+]C1 82425360 486812887 /nfs/dbraw/zinc/81/28/87/486812887.db2.gz MIOFBAYVCCACNJ-SNVBAGLBSA-N 2 2 186.299 0.707 20 0 ACADLP CCC[N@H+](CCOC)[C@H]1CC[NH2+]C1 82425361 486812894 /nfs/dbraw/zinc/81/28/94/486812894.db2.gz MIOFBAYVCCACNJ-JTQLQIEISA-N 2 2 186.299 0.707 20 0 ACADLP CCC[N@@H+](CCOC)[C@H]1CC[NH2+]C1 82425361 486812898 /nfs/dbraw/zinc/81/28/98/486812898.db2.gz MIOFBAYVCCACNJ-JTQLQIEISA-N 2 2 186.299 0.707 20 0 ACADLP CCOCC[N@H+](CC)C[C@@H](C)[NH3+] 82536998 486814748 /nfs/dbraw/zinc/81/47/48/486814748.db2.gz SMYZVKQERFBNOT-SECBINFHSA-N 2 2 174.288 0.692 20 0 ACADLP CCOCC[N@@H+](CC)C[C@@H](C)[NH3+] 82536998 486814751 /nfs/dbraw/zinc/81/47/51/486814751.db2.gz SMYZVKQERFBNOT-SECBINFHSA-N 2 2 174.288 0.692 20 0 ACADLP CCOCC[N@H+](CC)C[C@H](C)[NH3+] 82537001 486815065 /nfs/dbraw/zinc/81/50/65/486815065.db2.gz SMYZVKQERFBNOT-VIFPVBQESA-N 2 2 174.288 0.692 20 0 ACADLP CCOCC[N@@H+](CC)C[C@H](C)[NH3+] 82537001 486815068 /nfs/dbraw/zinc/81/50/68/486815068.db2.gz SMYZVKQERFBNOT-VIFPVBQESA-N 2 2 174.288 0.692 20 0 ACADLP Cc1nc(NC[C@H](C)[NH3+])cc[nH+]1 82575409 486815814 /nfs/dbraw/zinc/81/58/14/486815814.db2.gz JMRKFVLDSDOGNA-LURJTMIESA-N 2 2 166.228 0.544 20 0 ACADLP CCc1cc(NC[C@@H](C)[NH3+])nc[nH+]1 82575345 486815837 /nfs/dbraw/zinc/81/58/37/486815837.db2.gz GPKLBMHTHLYMRG-SSDOTTSWSA-N 2 2 180.255 0.798 20 0 ACADLP Cc1cc(NC[C@H](C)[NH3+])nc[nH+]1 82575624 486815843 /nfs/dbraw/zinc/81/58/43/486815843.db2.gz FNTQWVXUPRKDOS-LURJTMIESA-N 2 2 166.228 0.544 20 0 ACADLP Cc1nc(NC[C@@H](C)[NH3+])cc[nH+]1 82575407 486815854 /nfs/dbraw/zinc/81/58/54/486815854.db2.gz JMRKFVLDSDOGNA-ZCFIWIBFSA-N 2 2 166.228 0.544 20 0 ACADLP Cc1cc(NC[C@@H](C)[NH3+])nc[nH+]1 82575621 486815941 /nfs/dbraw/zinc/81/59/41/486815941.db2.gz FNTQWVXUPRKDOS-ZCFIWIBFSA-N 2 2 166.228 0.544 20 0 ACADLP CCc1cc(NC[C@H](C)[NH3+])nc[nH+]1 82575347 486815952 /nfs/dbraw/zinc/81/59/52/486815952.db2.gz GPKLBMHTHLYMRG-ZETCQYMHSA-N 2 2 180.255 0.798 20 0 ACADLP Cn1ccc(C[N@H+](C)CC[NH3+])c1 82587682 486818346 /nfs/dbraw/zinc/81/83/46/486818346.db2.gz IIKFFVJQYVBTLK-UHFFFAOYSA-N 2 2 167.256 0.416 20 0 ACADLP Cn1ccc(C[N@@H+](C)CC[NH3+])c1 82587682 486818349 /nfs/dbraw/zinc/81/83/49/486818349.db2.gz IIKFFVJQYVBTLK-UHFFFAOYSA-N 2 2 167.256 0.416 20 0 ACADLP C[C@@H]([NH3+])C[N@H+](C)CCCn1cc[nH+]c1 82594990 486820486 /nfs/dbraw/zinc/82/04/86/486820486.db2.gz KMYDNJJVLYHBAR-SNVBAGLBSA-N 3 2 196.298 0.552 20 0 ACADLP C[C@@H]([NH3+])C[N@@H+](C)CCCn1cc[nH+]c1 82594990 486820490 /nfs/dbraw/zinc/82/04/90/486820490.db2.gz KMYDNJJVLYHBAR-SNVBAGLBSA-N 3 2 196.298 0.552 20 0 ACADLP C[C@@H]([NH3+])C[N@H+](C)CCCn1ccnc1 82594990 486820493 /nfs/dbraw/zinc/82/04/93/486820493.db2.gz KMYDNJJVLYHBAR-SNVBAGLBSA-N 2 2 196.298 0.552 20 0 ACADLP C[C@@H]([NH3+])C[N@@H+](C)CCCn1ccnc1 82594990 486820497 /nfs/dbraw/zinc/82/04/97/486820497.db2.gz KMYDNJJVLYHBAR-SNVBAGLBSA-N 2 2 196.298 0.552 20 0 ACADLP C[C@H]([NH3+])C[N@H+](C)CCCn1cc[nH+]c1 82594988 486820545 /nfs/dbraw/zinc/82/05/45/486820545.db2.gz KMYDNJJVLYHBAR-JTQLQIEISA-N 3 2 196.298 0.552 20 0 ACADLP C[C@H]([NH3+])C[N@@H+](C)CCCn1cc[nH+]c1 82594988 486820550 /nfs/dbraw/zinc/82/05/50/486820550.db2.gz KMYDNJJVLYHBAR-JTQLQIEISA-N 3 2 196.298 0.552 20 0 ACADLP C[C@H]([NH3+])C[N@H+](C)CCCn1ccnc1 82594988 486820553 /nfs/dbraw/zinc/82/05/53/486820553.db2.gz KMYDNJJVLYHBAR-JTQLQIEISA-N 2 2 196.298 0.552 20 0 ACADLP C[C@H]([NH3+])C[N@@H+](C)CCCn1ccnc1 82594988 486820556 /nfs/dbraw/zinc/82/05/56/486820556.db2.gz KMYDNJJVLYHBAR-JTQLQIEISA-N 2 2 196.298 0.552 20 0 ACADLP C[C@H]([NH3+])C[N@H+](C)CCn1cccn1 82594633 486820850 /nfs/dbraw/zinc/82/08/50/486820850.db2.gz HODUEDMZRYUGIG-VIFPVBQESA-N 2 2 182.271 0.162 20 0 ACADLP C[C@H]([NH3+])C[N@@H+](C)CCn1cccn1 82594633 486820853 /nfs/dbraw/zinc/82/08/53/486820853.db2.gz HODUEDMZRYUGIG-VIFPVBQESA-N 2 2 182.271 0.162 20 0 ACADLP C[C@@H]([NH3+])C[N@H+](C)CCn1cccn1 82594635 486820913 /nfs/dbraw/zinc/82/09/13/486820913.db2.gz HODUEDMZRYUGIG-SECBINFHSA-N 2 2 182.271 0.162 20 0 ACADLP C[C@@H]([NH3+])C[N@@H+](C)CCn1cccn1 82594635 486820919 /nfs/dbraw/zinc/82/09/19/486820919.db2.gz HODUEDMZRYUGIG-SECBINFHSA-N 2 2 182.271 0.162 20 0 ACADLP CC(C)([NH3+])CC(=O)NCc1[nH]cc[nH+]1 82772777 486825948 /nfs/dbraw/zinc/82/59/48/486825948.db2.gz KXHUWNRIVIKNAH-UHFFFAOYSA-N 2 2 196.254 0.153 20 0 ACADLP CC[NH2+]Cc1c[nH+]c(C)n1C 83534642 486836735 /nfs/dbraw/zinc/83/67/35/486836735.db2.gz NRCXLYQEUGQJNZ-UHFFFAOYSA-N 2 2 153.229 0.838 20 0 ACADLP C[N@H+](CC[NH3+])CC[C@H]1CCCO1 83525915 486836935 /nfs/dbraw/zinc/83/69/35/486836935.db2.gz TXPOLAIDTPMVDU-SECBINFHSA-N 2 2 172.272 0.446 20 0 ACADLP C[N@@H+](CC[NH3+])CC[C@H]1CCCO1 83525915 486836939 /nfs/dbraw/zinc/83/69/39/486836939.db2.gz TXPOLAIDTPMVDU-SECBINFHSA-N 2 2 172.272 0.446 20 0 ACADLP COCC[NH2+]Cc1c[nH+]c(C)n1C 83534742 486837134 /nfs/dbraw/zinc/83/71/34/486837134.db2.gz VRCFZKYVYMTDNP-UHFFFAOYSA-N 2 2 183.255 0.465 20 0 ACADLP C[N@H+](CC[NH3+])CC[C@@H]1CCCO1 83525914 486837154 /nfs/dbraw/zinc/83/71/54/486837154.db2.gz TXPOLAIDTPMVDU-VIFPVBQESA-N 2 2 172.272 0.446 20 0 ACADLP C[N@@H+](CC[NH3+])CC[C@@H]1CCCO1 83525914 486837156 /nfs/dbraw/zinc/83/71/56/486837156.db2.gz TXPOLAIDTPMVDU-VIFPVBQESA-N 2 2 172.272 0.446 20 0 ACADLP Cc1[nH+]cc(C[NH2+]C2CC2)n1C 83534703 486837275 /nfs/dbraw/zinc/83/72/75/486837275.db2.gz YFFCVEVWRUWXCW-UHFFFAOYSA-N 2 2 165.240 0.981 20 0 ACADLP CC(C)[NH2+]CC(=O)NCc1c[nH]c[nH+]1 84081140 486853894 /nfs/dbraw/zinc/85/38/94/486853894.db2.gz VOQJWLYNDNJBSH-UHFFFAOYSA-N 2 2 196.254 0.024 20 0 ACADLP CC(C)(C[NH3+])C(=O)NCc1c[nH+]c[nH]1 84080989 486852802 /nfs/dbraw/zinc/85/28/02/486852802.db2.gz LIALCFXHFXEGEW-UHFFFAOYSA-N 2 2 196.254 0.011 20 0 ACADLP CC(C)(C[NH3+])C(=O)NCc1c[nH]c[nH+]1 84080989 486852807 /nfs/dbraw/zinc/85/28/07/486852807.db2.gz LIALCFXHFXEGEW-UHFFFAOYSA-N 2 2 196.254 0.011 20 0 ACADLP CC(C)[C@@H]([NH3+])C(=O)NCc1c[nH+]c[nH]1 84081073 486853379 /nfs/dbraw/zinc/85/33/79/486853379.db2.gz MGBJXTMCODKXRN-MRVPVSSYSA-N 2 2 196.254 0.009 20 0 ACADLP CC(C)[C@@H]([NH3+])C(=O)NCc1c[nH]c[nH+]1 84081073 486853382 /nfs/dbraw/zinc/85/33/82/486853382.db2.gz MGBJXTMCODKXRN-MRVPVSSYSA-N 2 2 196.254 0.009 20 0 ACADLP CC(C)[C@H]([NH3+])C(=O)NCc1c[nH+]c[nH]1 84081114 486853439 /nfs/dbraw/zinc/85/34/39/486853439.db2.gz MGBJXTMCODKXRN-QMMMGPOBSA-N 2 2 196.254 0.009 20 0 ACADLP CC(C)[C@H]([NH3+])C(=O)NCc1c[nH]c[nH+]1 84081114 486853441 /nfs/dbraw/zinc/85/34/41/486853441.db2.gz MGBJXTMCODKXRN-QMMMGPOBSA-N 2 2 196.254 0.009 20 0 ACADLP CC(C)[NH2+]CC(=O)NCc1c[nH+]c[nH]1 84081140 486853888 /nfs/dbraw/zinc/85/38/88/486853888.db2.gz VOQJWLYNDNJBSH-UHFFFAOYSA-N 2 2 196.254 0.024 20 0 ACADLP CC(C)([NH3+])CC(=O)NCc1c[nH+]c[nH]1 84081077 486854296 /nfs/dbraw/zinc/85/42/96/486854296.db2.gz JKEXQBKHKHPJTO-UHFFFAOYSA-N 2 2 196.254 0.153 20 0 ACADLP CC(C)([NH3+])CC(=O)NCc1c[nH]c[nH+]1 84081077 486854300 /nfs/dbraw/zinc/85/43/00/486854300.db2.gz JKEXQBKHKHPJTO-UHFFFAOYSA-N 2 2 196.254 0.153 20 0 ACADLP C[C@H](C[NH2+][C@@H]1CCC[C@@H]1C[NH3+])[NH+](C)C 84220267 486856362 /nfs/dbraw/zinc/85/63/62/486856362.db2.gz QPHSZAFOGOBZTD-GMTAPVOTSA-N 3 2 199.342 0.654 20 0 ACADLP C[C@H](C[NH2+][C@H]1CCC[C@@H]1C[NH3+])[NH+](C)C 84220275 486856630 /nfs/dbraw/zinc/85/66/30/486856630.db2.gz QPHSZAFOGOBZTD-MXWKQRLJSA-N 3 2 199.342 0.654 20 0 ACADLP COCC[N@H+](C)CCCn1cc[nH+]c1 676222305 486858362 /nfs/dbraw/zinc/85/83/62/486858362.db2.gz JRSBMUIDNNQVED-UHFFFAOYSA-N 2 2 197.282 0.851 20 0 ACADLP COCC[N@@H+](C)CCCn1cc[nH+]c1 676222305 486858365 /nfs/dbraw/zinc/85/83/65/486858365.db2.gz JRSBMUIDNNQVED-UHFFFAOYSA-N 2 2 197.282 0.851 20 0 ACADLP Cn1cncc1C[NH+]1CCC([NH3+])CC1 85170741 486865411 /nfs/dbraw/zinc/86/54/11/486865411.db2.gz PWIKQHSNLCFVST-UHFFFAOYSA-N 2 2 194.282 0.343 20 0 ACADLP Cn1c[nH+]cc1CN1CCC([NH3+])CC1 85170741 486865417 /nfs/dbraw/zinc/86/54/17/486865417.db2.gz PWIKQHSNLCFVST-UHFFFAOYSA-N 2 2 194.282 0.343 20 0 ACADLP CN(Cc1c[nH+]cn1C)[C@H]1CC[NH2+]C1 85170810 486865650 /nfs/dbraw/zinc/86/56/50/486865650.db2.gz LEXJUMJRSLYTPY-VIFPVBQESA-N 2 2 194.282 0.214 20 0 ACADLP Cc1cc(NC2C[NH2+]C2)nc[nH+]1 85256830 486865707 /nfs/dbraw/zinc/86/57/07/486865707.db2.gz OIMZCYJCOUGAJW-UHFFFAOYSA-N 2 2 164.212 0.169 20 0 ACADLP CCc1cc(NC2C[NH2+]C2)nc[nH+]1 85256828 486865873 /nfs/dbraw/zinc/86/58/73/486865873.db2.gz SQCLDOXCWAMLOF-UHFFFAOYSA-N 2 2 178.239 0.423 20 0 ACADLP CN(Cc1c[nH+]cn1C)[C@@H]1CC[NH2+]C1 85170806 486865891 /nfs/dbraw/zinc/86/58/91/486865891.db2.gz LEXJUMJRSLYTPY-SECBINFHSA-N 2 2 194.282 0.214 20 0 ACADLP CCn1cc[nH+]c1CN(C)C1C[NH2+]C1 85258337 486866801 /nfs/dbraw/zinc/86/68/01/486866801.db2.gz WBMZIRBAGIXFSU-UHFFFAOYSA-N 2 2 194.282 0.307 20 0 ACADLP CC[C@H](C)C[NH2+]CC[NH2+]CCOC 86158490 486874278 /nfs/dbraw/zinc/87/42/78/486874278.db2.gz MRBFWYPADSICSY-JTQLQIEISA-N 2 2 188.315 0.858 20 0 ACADLP COCC[NH2+]CC[NH2+]CC(C)(C)C 86158457 486874545 /nfs/dbraw/zinc/87/45/45/486874545.db2.gz IHPSGOQIRTVBBE-UHFFFAOYSA-N 2 2 188.315 0.858 20 0 ACADLP CC[C@@H](C)C[NH2+]CC[NH2+]CCOC 86158489 486874784 /nfs/dbraw/zinc/87/47/84/486874784.db2.gz MRBFWYPADSICSY-SNVBAGLBSA-N 2 2 188.315 0.858 20 0 ACADLP C[C@H](C[NH2+][C@@H]1CCC[C@H]([NH3+])C1)[NH+](C)C 86403405 486878720 /nfs/dbraw/zinc/87/87/20/486878720.db2.gz KLVVVYWJWUWQSH-OUAUKWLOSA-N 3 2 199.342 0.796 20 0 ACADLP C[C@H](C[NH2+][C@H]1CCC[C@H]([NH3+])C1)[NH+](C)C 86403409 486878853 /nfs/dbraw/zinc/87/88/53/486878853.db2.gz KLVVVYWJWUWQSH-VWYCJHECSA-N 3 2 199.342 0.796 20 0 ACADLP COCC[N@H+](C)C1(C[NH3+])CCC1 86475033 486881908 /nfs/dbraw/zinc/88/19/08/486881908.db2.gz YRVNTNHTTOPLAS-UHFFFAOYSA-N 2 2 172.272 0.446 20 0 ACADLP COCC[N@@H+](C)C1(C[NH3+])CCC1 86475033 486881916 /nfs/dbraw/zinc/88/19/16/486881916.db2.gz YRVNTNHTTOPLAS-UHFFFAOYSA-N 2 2 172.272 0.446 20 0 ACADLP CC[N@@H+]1CCO[C@@H]([C@@H](C)[NH3+])C1 86654026 486882621 /nfs/dbraw/zinc/88/26/21/486882621.db2.gz MUIHSLFYQSPBHG-HTQZYQBOSA-N 2 2 158.245 0.054 20 0 ACADLP CC[N@H+]1CCO[C@@H]([C@@H](C)[NH3+])C1 86654026 486882628 /nfs/dbraw/zinc/88/26/28/486882628.db2.gz MUIHSLFYQSPBHG-HTQZYQBOSA-N 2 2 158.245 0.054 20 0 ACADLP CC[N@@H+]1CCO[C@H]([C@@H](C)[NH3+])C1 86654025 486882912 /nfs/dbraw/zinc/88/29/12/486882912.db2.gz MUIHSLFYQSPBHG-SFYZADRCSA-N 2 2 158.245 0.054 20 0 ACADLP CC[N@H+]1CCO[C@H]([C@@H](C)[NH3+])C1 86654025 486882919 /nfs/dbraw/zinc/88/29/19/486882919.db2.gz MUIHSLFYQSPBHG-SFYZADRCSA-N 2 2 158.245 0.054 20 0 ACADLP C[C@@H](Cn1cccn1)[NH2+][C@H]1CC[NH2+]C1 86727950 486884101 /nfs/dbraw/zinc/88/41/01/486884101.db2.gz ZDPVHYSKDNSDAJ-UWVGGRQHSA-N 2 2 194.282 0.223 20 0 ACADLP C[C@@H]([NH2+][C@@H]1CC[NH2+]C1)[C@H]1CCCO1 86725825 486884177 /nfs/dbraw/zinc/88/41/77/486884177.db2.gz PAPDMQDKZMLFKE-OPRDCNLKSA-N 2 2 184.283 0.505 20 0 ACADLP C[C@H](Cn1cccn1)[NH2+][C@@H]1CC[NH2+]C1 86727948 486884190 /nfs/dbraw/zinc/88/41/90/486884190.db2.gz ZDPVHYSKDNSDAJ-NXEZZACHSA-N 2 2 194.282 0.223 20 0 ACADLP C[C@H]([NH2+][C@@H]1CC[NH2+]C1)[C@@H]1CCCO1 86725814 486884241 /nfs/dbraw/zinc/88/42/41/486884241.db2.gz PAPDMQDKZMLFKE-AEJSXWLSSA-N 2 2 184.283 0.505 20 0 ACADLP C[C@@H](Cn1cccn1)[NH2+][C@@H]1CC[NH2+]C1 86727945 486884328 /nfs/dbraw/zinc/88/43/28/486884328.db2.gz ZDPVHYSKDNSDAJ-VHSXEESVSA-N 2 2 194.282 0.223 20 0 ACADLP C[C@H]([NH2+][C@@H]1CC[NH2+]C1)[C@H]1CCCO1 86725822 486884654 /nfs/dbraw/zinc/88/46/54/486884654.db2.gz PAPDMQDKZMLFKE-IVZWLZJFSA-N 2 2 184.283 0.505 20 0 ACADLP C[C@@H]([NH2+][C@@H]1CC[NH2+]C1)[C@@H]1CCCO1 86725819 486884757 /nfs/dbraw/zinc/88/47/57/486884757.db2.gz PAPDMQDKZMLFKE-BBBLOLIVSA-N 2 2 184.283 0.505 20 0 ACADLP C[C@H](Cn1cccn1)[NH2+][C@H]1CC[NH2+]C1 86727952 486884997 /nfs/dbraw/zinc/88/49/97/486884997.db2.gz ZDPVHYSKDNSDAJ-ZJUUUORDSA-N 2 2 194.282 0.223 20 0 ACADLP CCOC[C@H](C)[NH2+][C@@H]1CC[NH2+]C1 86729526 486885373 /nfs/dbraw/zinc/88/53/73/486885373.db2.gz LTJWQNZNOLAWPN-DTWKUNHWSA-N 2 2 172.272 0.363 20 0 ACADLP CCOC[C@@H](C)[NH2+][C@H]1CC[NH2+]C1 86729528 486885717 /nfs/dbraw/zinc/88/57/17/486885717.db2.gz LTJWQNZNOLAWPN-BDAKNGLRSA-N 2 2 172.272 0.363 20 0 ACADLP CCOC[C@@H](C)[NH2+][C@@H]1CC[NH2+]C1 86729524 486885730 /nfs/dbraw/zinc/88/57/30/486885730.db2.gz LTJWQNZNOLAWPN-RKDXNWHRSA-N 2 2 172.272 0.363 20 0 ACADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](CCO)C1 677476397 486886969 /nfs/dbraw/zinc/88/69/69/486886969.db2.gz WZYUYYDWXGOUHJ-VIFPVBQESA-N 2 2 195.266 0.202 20 0 ACADLP CCOC[C@H](C)[NH2+][C@H]1CC[NH2+]C1 86729530 486886363 /nfs/dbraw/zinc/88/63/63/486886363.db2.gz LTJWQNZNOLAWPN-IUCAKERBSA-N 2 2 172.272 0.363 20 0 ACADLP CC[C@H](COC)[NH2+][C@H]1CC[NH2+]C1 86730342 486886725 /nfs/dbraw/zinc/88/67/25/486886725.db2.gz MLGAWLKSGNPJGO-BDAKNGLRSA-N 2 2 172.272 0.363 20 0 ACADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](CCO)C1 677476395 486886746 /nfs/dbraw/zinc/88/67/46/486886746.db2.gz WZYUYYDWXGOUHJ-SECBINFHSA-N 2 2 195.266 0.202 20 0 ACADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](CCO)C1 677476395 486886740 /nfs/dbraw/zinc/88/67/40/486886740.db2.gz WZYUYYDWXGOUHJ-SECBINFHSA-N 2 2 195.266 0.202 20 0 ACADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](CCO)C1 677476397 486886963 /nfs/dbraw/zinc/88/69/63/486886963.db2.gz WZYUYYDWXGOUHJ-VIFPVBQESA-N 2 2 195.266 0.202 20 0 ACADLP CC[C@H](COC)[NH2+][C@@H]1CC[NH2+]C1 86730337 486887124 /nfs/dbraw/zinc/88/71/24/486887124.db2.gz MLGAWLKSGNPJGO-RKDXNWHRSA-N 2 2 172.272 0.363 20 0 ACADLP CC[C@@H](COC)[NH2+][C@@H]1CC[NH2+]C1 86730336 486887452 /nfs/dbraw/zinc/88/74/52/486887452.db2.gz MLGAWLKSGNPJGO-DTWKUNHWSA-N 2 2 172.272 0.363 20 0 ACADLP CC[C@@H](COC)[NH2+][C@H]1CC[NH2+]C1 86730339 486887535 /nfs/dbraw/zinc/88/75/35/486887535.db2.gz MLGAWLKSGNPJGO-IUCAKERBSA-N 2 2 172.272 0.363 20 0 ACADLP C[C@H]([NH3+])C[N@H+](C)CCOCC1CC1 87399386 486895194 /nfs/dbraw/zinc/89/51/94/486895194.db2.gz AGTVHFPPAXKCIG-VIFPVBQESA-N 2 2 186.299 0.692 20 0 ACADLP C[C@H]([NH3+])C[N@@H+](C)CCOCC1CC1 87399386 486895197 /nfs/dbraw/zinc/89/51/97/486895197.db2.gz AGTVHFPPAXKCIG-VIFPVBQESA-N 2 2 186.299 0.692 20 0 ACADLP C[C@@H](C[NH3+])[N@H+](C)CCOCC1CC1 87398977 486895262 /nfs/dbraw/zinc/89/52/62/486895262.db2.gz FYHKQUXQJAUFCI-VIFPVBQESA-N 2 2 186.299 0.692 20 0 ACADLP C[C@@H](C[NH3+])[N@@H+](C)CCOCC1CC1 87398977 486895267 /nfs/dbraw/zinc/89/52/67/486895267.db2.gz FYHKQUXQJAUFCI-VIFPVBQESA-N 2 2 186.299 0.692 20 0 ACADLP C[N@H+](CCOCC1CC1)[C@@H]1CC[NH2+]C1 87399722 486895558 /nfs/dbraw/zinc/89/55/58/486895558.db2.gz PYYWYMZCSZLVKH-LLVKDONJSA-N 2 2 198.310 0.707 20 0 ACADLP C[N@@H+](CCOCC1CC1)[C@@H]1CC[NH2+]C1 87399722 486895563 /nfs/dbraw/zinc/89/55/63/486895563.db2.gz PYYWYMZCSZLVKH-LLVKDONJSA-N 2 2 198.310 0.707 20 0 ACADLP C[N@H+](CCOCC1CC1)[C@H]1CC[NH2+]C1 87399723 486895669 /nfs/dbraw/zinc/89/56/69/486895669.db2.gz PYYWYMZCSZLVKH-NSHDSACASA-N 2 2 198.310 0.707 20 0 ACADLP C[N@@H+](CCOCC1CC1)[C@H]1CC[NH2+]C1 87399723 486895673 /nfs/dbraw/zinc/89/56/73/486895673.db2.gz PYYWYMZCSZLVKH-NSHDSACASA-N 2 2 198.310 0.707 20 0 ACADLP C[C@@H]([NH3+])C[N@H+](C)CCOCC1CC1 87399387 486895737 /nfs/dbraw/zinc/89/57/37/486895737.db2.gz AGTVHFPPAXKCIG-SECBINFHSA-N 2 2 186.299 0.692 20 0 ACADLP C[C@@H]([NH3+])C[N@@H+](C)CCOCC1CC1 87399387 486895738 /nfs/dbraw/zinc/89/57/38/486895738.db2.gz AGTVHFPPAXKCIG-SECBINFHSA-N 2 2 186.299 0.692 20 0 ACADLP C[C@H](C[NH3+])[N@H+](C)CCOCC1CC1 87398978 486895708 /nfs/dbraw/zinc/89/57/08/486895708.db2.gz FYHKQUXQJAUFCI-SECBINFHSA-N 2 2 186.299 0.692 20 0 ACADLP C[C@H](C[NH3+])[N@@H+](C)CCOCC1CC1 87398978 486895712 /nfs/dbraw/zinc/89/57/12/486895712.db2.gz FYHKQUXQJAUFCI-SECBINFHSA-N 2 2 186.299 0.692 20 0 ACADLP C[NH2+]CCCN(C)Cc1c[nH+]cn1C 87472143 486896552 /nfs/dbraw/zinc/89/65/52/486896552.db2.gz XNXRNUUIARWUTB-UHFFFAOYSA-N 2 2 196.298 0.461 20 0 ACADLP C[NH2+]CCC[N@H+](C)Cc1cnccn1 87472807 486897722 /nfs/dbraw/zinc/89/77/22/486897722.db2.gz SPQSKYPFSQZVDN-UHFFFAOYSA-N 2 2 194.282 0.518 20 0 ACADLP C[NH2+]CCC[N@@H+](C)Cc1cnccn1 87472807 486897725 /nfs/dbraw/zinc/89/77/25/486897725.db2.gz SPQSKYPFSQZVDN-UHFFFAOYSA-N 2 2 194.282 0.518 20 0 ACADLP COCCC[N@H+](C)CCn1cc[nH+]c1 677802518 486898312 /nfs/dbraw/zinc/89/83/12/486898312.db2.gz PRRXVPPAJUFELN-UHFFFAOYSA-N 2 2 197.282 0.851 20 0 ACADLP COCCC[N@@H+](C)CCn1cc[nH+]c1 677802518 486898318 /nfs/dbraw/zinc/89/83/18/486898318.db2.gz PRRXVPPAJUFELN-UHFFFAOYSA-N 2 2 197.282 0.851 20 0 ACADLP CCOCC[N@H+](C)C1(C[NH3+])CCC1 87976599 486904197 /nfs/dbraw/zinc/90/41/97/486904197.db2.gz YXHKCEKGFVMWQP-UHFFFAOYSA-N 2 2 186.299 0.836 20 0 ACADLP CCOCC[N@@H+](C)C1(C[NH3+])CCC1 87976599 486904200 /nfs/dbraw/zinc/90/42/00/486904200.db2.gz YXHKCEKGFVMWQP-UHFFFAOYSA-N 2 2 186.299 0.836 20 0 ACADLP CCOCC[N@H+](C)CC(C)(C)[NH3+] 87977910 486904354 /nfs/dbraw/zinc/90/43/54/486904354.db2.gz WMRMRGWVSIPSFE-UHFFFAOYSA-N 2 2 174.288 0.692 20 0 ACADLP CCOCC[N@@H+](C)CC(C)(C)[NH3+] 87977910 486904358 /nfs/dbraw/zinc/90/43/58/486904358.db2.gz WMRMRGWVSIPSFE-UHFFFAOYSA-N 2 2 174.288 0.692 20 0 ACADLP CC(C)OCC[N@H+](C)[C@@H](C)C[NH3+] 87976335 486904398 /nfs/dbraw/zinc/90/43/98/486904398.db2.gz LIAYOUCILBMYRH-VIFPVBQESA-N 2 2 174.288 0.690 20 0 ACADLP CC(C)OCC[N@@H+](C)[C@@H](C)C[NH3+] 87976335 486904403 /nfs/dbraw/zinc/90/44/03/486904403.db2.gz LIAYOUCILBMYRH-VIFPVBQESA-N 2 2 174.288 0.690 20 0 ACADLP CCOCC[N@H+](C)[C@H](C)C[NH3+] 87976257 486904889 /nfs/dbraw/zinc/90/48/89/486904889.db2.gz NACCUYUORNLKDB-MRVPVSSYSA-N 2 2 160.261 0.302 20 0 ACADLP CCOCC[N@@H+](C)[C@H](C)C[NH3+] 87976257 486904892 /nfs/dbraw/zinc/90/48/92/486904892.db2.gz NACCUYUORNLKDB-MRVPVSSYSA-N 2 2 160.261 0.302 20 0 ACADLP CC(C)OCC[N@H+](C)[C@H](C)C[NH3+] 87976340 486904924 /nfs/dbraw/zinc/90/49/24/486904924.db2.gz LIAYOUCILBMYRH-SECBINFHSA-N 2 2 174.288 0.690 20 0 ACADLP CC(C)OCC[N@@H+](C)[C@H](C)C[NH3+] 87976340 486904927 /nfs/dbraw/zinc/90/49/27/486904927.db2.gz LIAYOUCILBMYRH-SECBINFHSA-N 2 2 174.288 0.690 20 0 ACADLP CCOCC[N@H+](C)[C@@H](C)C[NH3+] 87976255 486904979 /nfs/dbraw/zinc/90/49/79/486904979.db2.gz NACCUYUORNLKDB-QMMMGPOBSA-N 2 2 160.261 0.302 20 0 ACADLP CCOCC[N@@H+](C)[C@@H](C)C[NH3+] 87976255 486904981 /nfs/dbraw/zinc/90/49/81/486904981.db2.gz NACCUYUORNLKDB-QMMMGPOBSA-N 2 2 160.261 0.302 20 0 ACADLP [NH3+]C[C@@H]1C[N@H+](CCCF)CCO1 88024242 486906720 /nfs/dbraw/zinc/90/67/20/486906720.db2.gz VWLNMSOIJGPDON-MRVPVSSYSA-N 2 2 176.235 0.006 20 0 ACADLP [NH3+]C[C@@H]1C[N@@H+](CCCF)CCO1 88024242 486906726 /nfs/dbraw/zinc/90/67/26/486906726.db2.gz VWLNMSOIJGPDON-MRVPVSSYSA-N 2 2 176.235 0.006 20 0 ACADLP C[N@H+](CCCF)[C@@H]1CC[NH2+]C1 88026351 486906990 /nfs/dbraw/zinc/90/69/90/486906990.db2.gz VVNOEHCWGUGYNJ-MRVPVSSYSA-N 2 2 160.236 0.640 20 0 ACADLP C[N@@H+](CCCF)[C@@H]1CC[NH2+]C1 88026351 486906995 /nfs/dbraw/zinc/90/69/95/486906995.db2.gz VVNOEHCWGUGYNJ-MRVPVSSYSA-N 2 2 160.236 0.640 20 0 ACADLP [NH3+]C[C@H]1C[N@H+](CCCF)CCO1 88024243 486907234 /nfs/dbraw/zinc/90/72/34/486907234.db2.gz VWLNMSOIJGPDON-QMMMGPOBSA-N 2 2 176.235 0.006 20 0 ACADLP [NH3+]C[C@H]1C[N@@H+](CCCF)CCO1 88024243 486907237 /nfs/dbraw/zinc/90/72/37/486907237.db2.gz VWLNMSOIJGPDON-QMMMGPOBSA-N 2 2 176.235 0.006 20 0 ACADLP C[N@H+](CCCF)[C@H]1CC[NH2+]C1 88026352 486907342 /nfs/dbraw/zinc/90/73/42/486907342.db2.gz VVNOEHCWGUGYNJ-QMMMGPOBSA-N 2 2 160.236 0.640 20 0 ACADLP C[N@@H+](CCCF)[C@H]1CC[NH2+]C1 88026352 486907344 /nfs/dbraw/zinc/90/73/44/486907344.db2.gz VVNOEHCWGUGYNJ-QMMMGPOBSA-N 2 2 160.236 0.640 20 0 ACADLP CC[N@H+](CC[NH3+])CCCF 88024238 486907479 /nfs/dbraw/zinc/90/74/79/486907479.db2.gz MMLUUDXHTOHVHA-UHFFFAOYSA-N 2 2 148.225 0.627 20 0 ACADLP CC[N@@H+](CC[NH3+])CCCF 88024238 486907483 /nfs/dbraw/zinc/90/74/83/486907483.db2.gz MMLUUDXHTOHVHA-UHFFFAOYSA-N 2 2 148.225 0.627 20 0 ACADLP [NH3+]C[C@@H]1CC[N@H+](Cc2ccon2)C1 88054225 486909273 /nfs/dbraw/zinc/90/92/73/486909273.db2.gz BXCSDYWPKFUDKS-QMMMGPOBSA-N 2 2 181.239 0.455 20 0 ACADLP [NH3+]C[C@@H]1CC[N@@H+](Cc2ccon2)C1 88054225 486909277 /nfs/dbraw/zinc/90/92/77/486909277.db2.gz BXCSDYWPKFUDKS-QMMMGPOBSA-N 2 2 181.239 0.455 20 0 ACADLP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1ccon1 88054178 486909312 /nfs/dbraw/zinc/90/93/12/486909312.db2.gz XFVACONQWOXINM-RKDXNWHRSA-N 2 2 195.266 0.986 20 0 ACADLP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1Cc1ccon1 88054178 486909316 /nfs/dbraw/zinc/90/93/16/486909316.db2.gz XFVACONQWOXINM-RKDXNWHRSA-N 2 2 195.266 0.986 20 0 ACADLP [NH3+]C[C@H]1CC[N@H+](Cc2ccon2)C1 88054222 486909359 /nfs/dbraw/zinc/90/93/59/486909359.db2.gz BXCSDYWPKFUDKS-MRVPVSSYSA-N 2 2 181.239 0.455 20 0 ACADLP [NH3+]C[C@H]1CC[N@@H+](Cc2ccon2)C1 88054222 486909365 /nfs/dbraw/zinc/90/93/65/486909365.db2.gz BXCSDYWPKFUDKS-MRVPVSSYSA-N 2 2 181.239 0.455 20 0 ACADLP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1ccon1 88054182 486909488 /nfs/dbraw/zinc/90/94/88/486909488.db2.gz XFVACONQWOXINM-BDAKNGLRSA-N 2 2 195.266 0.986 20 0 ACADLP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1ccon1 88054182 486909494 /nfs/dbraw/zinc/90/94/94/486909494.db2.gz XFVACONQWOXINM-BDAKNGLRSA-N 2 2 195.266 0.986 20 0 ACADLP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1ccon1 88054180 486909683 /nfs/dbraw/zinc/90/96/83/486909683.db2.gz XFVACONQWOXINM-DTWKUNHWSA-N 2 2 195.266 0.986 20 0 ACADLP C[C@H]1C[C@H]([NH3+])CC[N@H+]1Cc1ccon1 88054180 486909690 /nfs/dbraw/zinc/90/96/90/486909690.db2.gz XFVACONQWOXINM-DTWKUNHWSA-N 2 2 195.266 0.986 20 0 ACADLP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1ccon1 88054183 486909880 /nfs/dbraw/zinc/90/98/80/486909880.db2.gz XFVACONQWOXINM-IUCAKERBSA-N 2 2 195.266 0.986 20 0 ACADLP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1ccon1 88054183 486909887 /nfs/dbraw/zinc/90/98/87/486909887.db2.gz XFVACONQWOXINM-IUCAKERBSA-N 2 2 195.266 0.986 20 0 ACADLP C[N@H+](CCn1cc[nH+]c1)[C@@H]1CCOC1 677983149 486910297 /nfs/dbraw/zinc/91/02/97/486910297.db2.gz JKGBORFPDPWMFV-SNVBAGLBSA-N 2 2 195.266 0.604 20 0 ACADLP C[N@@H+](CCn1cc[nH+]c1)[C@@H]1CCOC1 677983149 486910301 /nfs/dbraw/zinc/91/03/01/486910301.db2.gz JKGBORFPDPWMFV-SNVBAGLBSA-N 2 2 195.266 0.604 20 0 ACADLP CO[C@H]1CC[N@H+](CCn2cc[nH+]c2)C1 677983563 486910522 /nfs/dbraw/zinc/91/05/22/486910522.db2.gz DKXPIDYAPUUCNS-JTQLQIEISA-N 2 2 195.266 0.604 20 0 ACADLP CO[C@H]1CC[N@@H+](CCn2cc[nH+]c2)C1 677983563 486910527 /nfs/dbraw/zinc/91/05/27/486910527.db2.gz DKXPIDYAPUUCNS-JTQLQIEISA-N 2 2 195.266 0.604 20 0 ACADLP C[N@H+](CCn1cc[nH+]c1)[C@H]1CCOC1 677983148 486910611 /nfs/dbraw/zinc/91/06/11/486910611.db2.gz JKGBORFPDPWMFV-JTQLQIEISA-N 2 2 195.266 0.604 20 0 ACADLP C[N@@H+](CCn1cc[nH+]c1)[C@H]1CCOC1 677983148 486910614 /nfs/dbraw/zinc/91/06/14/486910614.db2.gz JKGBORFPDPWMFV-JTQLQIEISA-N 2 2 195.266 0.604 20 0 ACADLP COCC[N@H+](C)CCn1cc[nH+]c1 677981123 486910871 /nfs/dbraw/zinc/91/08/71/486910871.db2.gz VLDFWTWYDBBBSF-UHFFFAOYSA-N 2 2 183.255 0.461 20 0 ACADLP COCC[N@@H+](C)CCn1cc[nH+]c1 677981123 486910874 /nfs/dbraw/zinc/91/08/74/486910874.db2.gz VLDFWTWYDBBBSF-UHFFFAOYSA-N 2 2 183.255 0.461 20 0 ACADLP C[N@H+](CCn1cc[nH+]c1)C1CC1 677980529 486911289 /nfs/dbraw/zinc/91/12/89/486911289.db2.gz DVJUVACGTPLZLQ-UHFFFAOYSA-N 2 2 165.240 0.977 20 0 ACADLP C[N@@H+](CCn1cc[nH+]c1)C1CC1 677980529 486911295 /nfs/dbraw/zinc/91/12/95/486911295.db2.gz DVJUVACGTPLZLQ-UHFFFAOYSA-N 2 2 165.240 0.977 20 0 ACADLP C[C@@H]([NH3+])C[NH+]1CCC(CO)CC1 107124053 486920530 /nfs/dbraw/zinc/92/05/30/486920530.db2.gz KZDKJDMMJXBFNJ-MRVPVSSYSA-N 2 2 172.272 0.038 20 0 ACADLP F[C@H]1C[NH2+]CC[C@@H]1[NH+]1CCCC1 117727144 486927660 /nfs/dbraw/zinc/92/76/60/486927660.db2.gz MVMMIILUFKFCNK-IUCAKERBSA-N 2 2 172.247 0.782 20 0 ACADLP CCOCC[N@H+](C)CCn1cc[nH+]c1 678537050 486939870 /nfs/dbraw/zinc/93/98/70/486939870.db2.gz ZMIUVNOHIRCOLF-UHFFFAOYSA-N 2 2 197.282 0.851 20 0 ACADLP CCOCC[N@@H+](C)CCn1cc[nH+]c1 678537050 486939874 /nfs/dbraw/zinc/93/98/74/486939874.db2.gz ZMIUVNOHIRCOLF-UHFFFAOYSA-N 2 2 197.282 0.851 20 0 ACADLP CC1CC([NH2+]CC[NH+](C)C)C1 123443436 486940644 /nfs/dbraw/zinc/94/06/44/486940644.db2.gz CRFVZEFUKWITSU-UHFFFAOYSA-N 2 2 156.273 0.936 20 0 ACADLP C[C@H]1OCC[C@@H]1[NH2+][C@@H]1CCC[NH2+]C1 134534268 486941124 /nfs/dbraw/zinc/94/11/24/486941124.db2.gz VPUXIWUXJMNUFA-BBBLOLIVSA-N 2 2 184.283 0.505 20 0 ACADLP C[C@H]1OCC[C@H]1[NH2+][C@@H]1CCC[NH2+]C1 134534229 486941299 /nfs/dbraw/zinc/94/12/99/486941299.db2.gz VPUXIWUXJMNUFA-OPRDCNLKSA-N 2 2 184.283 0.505 20 0 ACADLP C[N@H+](CC[NH2+]CCC[NH3+])C1CCCC1 135303115 486942637 /nfs/dbraw/zinc/94/26/37/486942637.db2.gz TWPMDVZEYKSDOP-UHFFFAOYSA-N 3 2 199.342 0.799 20 0 ACADLP C[N@@H+](CC[NH2+]CCC[NH3+])C1CCCC1 135303115 486942641 /nfs/dbraw/zinc/94/26/41/486942641.db2.gz TWPMDVZEYKSDOP-UHFFFAOYSA-N 3 2 199.342 0.799 20 0 ACADLP Cc1cc(N2CC([NH+](C)C)C2)nc[nH+]1 678822394 486946825 /nfs/dbraw/zinc/94/68/25/486946825.db2.gz CURHQGRAUNDOFA-UHFFFAOYSA-N 2 2 192.266 0.535 20 0 ACADLP Cc1nc(N2CC([NH+](C)C)C2)cc[nH+]1 678823352 486946865 /nfs/dbraw/zinc/94/68/65/486946865.db2.gz QGJVMHBVLMERPW-UHFFFAOYSA-N 2 2 192.266 0.535 20 0 ACADLP C[N@@H+]1CCC[C@@H]1Cn1cc[nH+]c1 149857158 486960953 /nfs/dbraw/zinc/96/09/53/486960953.db2.gz XJULQKUSPMDLAB-SECBINFHSA-N 2 2 165.240 0.977 20 0 ACADLP C[N@H+]1CCC[C@@H]1Cn1cc[nH+]c1 149857158 486960959 /nfs/dbraw/zinc/96/09/59/486960959.db2.gz XJULQKUSPMDLAB-SECBINFHSA-N 2 2 165.240 0.977 20 0 ACADLP C[C@@H]([NH3+])C[N@H+](C)CC[C@@H](C)O 156388240 486962138 /nfs/dbraw/zinc/96/21/38/486962138.db2.gz OHGSKMWFUZYQIV-HTQZYQBOSA-N 2 2 160.261 0.036 20 0 ACADLP C[C@@H]([NH3+])C[N@@H+](C)CC[C@@H](C)O 156388240 486962144 /nfs/dbraw/zinc/96/21/44/486962144.db2.gz OHGSKMWFUZYQIV-HTQZYQBOSA-N 2 2 160.261 0.036 20 0 ACADLP C[C@@H]([NH3+])C[N@H+](C)C[C@H]1CCCO1 156537862 486962162 /nfs/dbraw/zinc/96/21/62/486962162.db2.gz UDTNUCJVHCHANF-RKDXNWHRSA-N 2 2 172.272 0.444 20 0 ACADLP C[C@@H]([NH3+])C[N@@H+](C)C[C@H]1CCCO1 156537862 486962164 /nfs/dbraw/zinc/96/21/64/486962164.db2.gz UDTNUCJVHCHANF-RKDXNWHRSA-N 2 2 172.272 0.444 20 0 ACADLP C[C@H]([NH3+])C[N@H+](C)C[C@H]1CCCO1 156537708 486962524 /nfs/dbraw/zinc/96/25/24/486962524.db2.gz UDTNUCJVHCHANF-DTWKUNHWSA-N 2 2 172.272 0.444 20 0 ACADLP C[C@H]([NH3+])C[N@@H+](C)C[C@H]1CCCO1 156537708 486962529 /nfs/dbraw/zinc/96/25/29/486962529.db2.gz UDTNUCJVHCHANF-DTWKUNHWSA-N 2 2 172.272 0.444 20 0 ACADLP C[C@H](O)CC[N@@H+](C)C[C@@H](C)[NH3+] 156388127 486962649 /nfs/dbraw/zinc/96/26/49/486962649.db2.gz OHGSKMWFUZYQIV-SFYZADRCSA-N 2 2 160.261 0.036 20 0 ACADLP C[C@H](O)CC[N@H+](C)C[C@@H](C)[NH3+] 156388127 486962652 /nfs/dbraw/zinc/96/26/52/486962652.db2.gz OHGSKMWFUZYQIV-SFYZADRCSA-N 2 2 160.261 0.036 20 0 ACADLP C[N@H+](CCC[NH3+])Cc1cncs1 156989995 486963947 /nfs/dbraw/zinc/96/39/47/486963947.db2.gz SNLZBDKSWZJOJG-UHFFFAOYSA-N 2 2 185.296 0.924 20 0 ACADLP C[N@@H+](CCC[NH3+])Cc1cncs1 156989995 486963952 /nfs/dbraw/zinc/96/39/52/486963952.db2.gz SNLZBDKSWZJOJG-UHFFFAOYSA-N 2 2 185.296 0.924 20 0 ACADLP C[C@@H](C[NH3+])[N@H+](C)CCn1cccn1 158514873 486970525 /nfs/dbraw/zinc/97/05/25/486970525.db2.gz PEXDXICQZMBDMM-VIFPVBQESA-N 2 2 182.271 0.162 20 0 ACADLP C[C@@H](C[NH3+])[N@@H+](C)CCn1cccn1 158514873 486970529 /nfs/dbraw/zinc/97/05/29/486970529.db2.gz PEXDXICQZMBDMM-VIFPVBQESA-N 2 2 182.271 0.162 20 0 ACADLP C[C@H](C[NH3+])[N@H+](C)CCn1cccn1 158515043 486970849 /nfs/dbraw/zinc/97/08/49/486970849.db2.gz PEXDXICQZMBDMM-SECBINFHSA-N 2 2 182.271 0.162 20 0 ACADLP C[C@H](C[NH3+])[N@@H+](C)CCn1cccn1 158515043 486970853 /nfs/dbraw/zinc/97/08/53/486970853.db2.gz PEXDXICQZMBDMM-SECBINFHSA-N 2 2 182.271 0.162 20 0 ACADLP C[NH2+]C[C@@H](C)[NH2+]Cc1cnn(C)c1 162096517 486980829 /nfs/dbraw/zinc/98/08/29/486980829.db2.gz LENYMRQGIIFUOA-MRVPVSSYSA-N 2 2 182.271 0.118 20 0 ACADLP C[NH2+]C[C@H](C)[NH2+]Cc1cnn(C)c1 162096410 486981332 /nfs/dbraw/zinc/98/13/32/486981332.db2.gz LENYMRQGIIFUOA-QMMMGPOBSA-N 2 2 182.271 0.118 20 0 ACADLP C[NH2+]C[C@H](C)[NH2+]Cc1c[nH]nc1C 162182637 486982018 /nfs/dbraw/zinc/98/20/18/486982018.db2.gz WJIWTVAXWUPMJR-ZETCQYMHSA-N 2 2 182.271 0.416 20 0 ACADLP C[NH2+]C[C@@H](C)[NH2+]Cc1cccnc1 162162919 486982326 /nfs/dbraw/zinc/98/23/26/486982326.db2.gz QJEURAWQUZYBJY-SECBINFHSA-N 2 2 179.267 0.779 20 0 ACADLP C[NH2+]C[C@@H](C)[NH2+]Cc1c[nH]nc1C 162182764 486982522 /nfs/dbraw/zinc/98/25/22/486982522.db2.gz WJIWTVAXWUPMJR-SSDOTTSWSA-N 2 2 182.271 0.416 20 0 ACADLP C[NH2+]C[C@H](C)[NH2+]Cc1ccncc1 162107351 486982748 /nfs/dbraw/zinc/98/27/48/486982748.db2.gz JTTAUWPKGVLOBE-VIFPVBQESA-N 2 2 179.267 0.779 20 0 ACADLP C[NH2+]C[C@H](C)[NH2+]Cc1cccnc1 162162797 486982761 /nfs/dbraw/zinc/98/27/61/486982761.db2.gz QJEURAWQUZYBJY-VIFPVBQESA-N 2 2 179.267 0.779 20 0 ACADLP C[NH2+]C[C@@H](C)[NH2+]Cc1ccncc1 162107491 486983139 /nfs/dbraw/zinc/98/31/39/486983139.db2.gz JTTAUWPKGVLOBE-SECBINFHSA-N 2 2 179.267 0.779 20 0 ACADLP C[C@H](C(=O)NCc1[nH]cc[nH+]1)[C@@H](C)[NH3+] 165491384 486991646 /nfs/dbraw/zinc/99/16/46/486991646.db2.gz YCPXJCYNRWHDKV-NKWVEPMBSA-N 2 2 196.254 0.009 20 0 ACADLP [NH3+]CCC[NH2+][C@@H]1CCCC[C@H]1[NH3+] 163850092 486986709 /nfs/dbraw/zinc/98/67/09/486986709.db2.gz SMGQEHSKALBRSN-RKDXNWHRSA-N 3 2 171.288 0.195 20 0 ACADLP CCn1nccc1C[N@H+](C)CCC[NH3+] 164144481 486987629 /nfs/dbraw/zinc/98/76/29/486987629.db2.gz CPMAVCYXVMMBGV-UHFFFAOYSA-N 2 2 196.298 0.684 20 0 ACADLP CCn1nccc1C[N@@H+](C)CCC[NH3+] 164144481 486987631 /nfs/dbraw/zinc/98/76/31/486987631.db2.gz CPMAVCYXVMMBGV-UHFFFAOYSA-N 2 2 196.298 0.684 20 0 ACADLP C[N@H+](CCn1cc[nH+]c1)C1CC(O)C1 680581206 486987992 /nfs/dbraw/zinc/98/79/92/486987992.db2.gz OZGSHUYHFWFQJK-UHFFFAOYSA-N 2 2 195.266 0.338 20 0 ACADLP C[N@@H+](CCn1cc[nH+]c1)C1CC(O)C1 680581206 486987995 /nfs/dbraw/zinc/98/79/95/486987995.db2.gz OZGSHUYHFWFQJK-UHFFFAOYSA-N 2 2 195.266 0.338 20 0 ACADLP C[C@H]([NH3+])[C@H](C)C(=O)NCc1[nH]cc[nH+]1 165491618 486991478 /nfs/dbraw/zinc/99/14/78/486991478.db2.gz YCPXJCYNRWHDKV-BQBZGAKWSA-N 2 2 196.254 0.009 20 0 ACADLP CC[N@@H+]1CCn2c[nH+]cc2C1 165457199 486991547 /nfs/dbraw/zinc/99/15/47/486991547.db2.gz YUQLIIGAGQVKMB-UHFFFAOYSA-N 2 2 151.213 0.719 20 0 ACADLP CC[N@H+]1CCn2c[nH+]cc2C1 165457199 486991548 /nfs/dbraw/zinc/99/15/48/486991548.db2.gz YUQLIIGAGQVKMB-UHFFFAOYSA-N 2 2 151.213 0.719 20 0 ACADLP C[C@H]([NH3+])[C@@H](C)C(=O)NCc1[nH]cc[nH+]1 165491752 486991606 /nfs/dbraw/zinc/99/16/06/486991606.db2.gz YCPXJCYNRWHDKV-RQJHMYQMSA-N 2 2 196.254 0.009 20 0 ACADLP C[C@@H]([NH3+])[C@@H](C)C(=O)NCc1[nH]cc[nH+]1 165491522 486991638 /nfs/dbraw/zinc/99/16/38/486991638.db2.gz YCPXJCYNRWHDKV-RNFRBKRXSA-N 2 2 196.254 0.009 20 0 ACADLP C[C@H]([NH3+])[C@H](C)C(=O)NCc1c[nH+]c[nH]1 165522482 486992146 /nfs/dbraw/zinc/99/21/46/486992146.db2.gz WJDQRDHQERWXNY-BQBZGAKWSA-N 2 2 196.254 0.009 20 0 ACADLP C[C@H]([NH3+])[C@H](C)C(=O)NCc1c[nH]c[nH+]1 165522482 486992154 /nfs/dbraw/zinc/99/21/54/486992154.db2.gz WJDQRDHQERWXNY-BQBZGAKWSA-N 2 2 196.254 0.009 20 0 ACADLP C[C@H](C(=O)NCc1c[nH+]c[nH]1)[C@@H](C)[NH3+] 165522232 486992218 /nfs/dbraw/zinc/99/22/18/486992218.db2.gz WJDQRDHQERWXNY-NKWVEPMBSA-N 2 2 196.254 0.009 20 0 ACADLP C[C@H](C(=O)NCc1c[nH]c[nH+]1)[C@@H](C)[NH3+] 165522232 486992224 /nfs/dbraw/zinc/99/22/24/486992224.db2.gz WJDQRDHQERWXNY-NKWVEPMBSA-N 2 2 196.254 0.009 20 0 ACADLP C[C@@H]([NH3+])[C@@H](C)C(=O)NCc1c[nH+]c[nH]1 165522360 486992559 /nfs/dbraw/zinc/99/25/59/486992559.db2.gz WJDQRDHQERWXNY-RNFRBKRXSA-N 2 2 196.254 0.009 20 0 ACADLP C[C@@H]([NH3+])[C@@H](C)C(=O)NCc1c[nH]c[nH+]1 165522360 486992562 /nfs/dbraw/zinc/99/25/62/486992562.db2.gz WJDQRDHQERWXNY-RNFRBKRXSA-N 2 2 196.254 0.009 20 0 ACADLP C[C@H]([NH3+])[C@@H](C)C(=O)NCc1c[nH+]c[nH]1 165522601 486992709 /nfs/dbraw/zinc/99/27/09/486992709.db2.gz WJDQRDHQERWXNY-RQJHMYQMSA-N 2 2 196.254 0.009 20 0 ACADLP C[C@H]([NH3+])[C@@H](C)C(=O)NCc1c[nH]c[nH+]1 165522601 486992715 /nfs/dbraw/zinc/99/27/15/486992715.db2.gz WJDQRDHQERWXNY-RQJHMYQMSA-N 2 2 196.254 0.009 20 0 ACADLP C[C@@H]1C[C@@H]1C[NH2+]C[C@@H]1C[NH2+]CCO1 167534551 487000683 /nfs/dbraw/zinc/00/06/83/487000683.db2.gz MWHGNYSGSJNMBU-BBBLOLIVSA-N 2 2 184.283 0.220 20 0 ACADLP C[C@@H]1C[C@H]1C[NH2+]C[C@@H]1C[NH2+]CCO1 167534753 487000916 /nfs/dbraw/zinc/00/09/16/487000916.db2.gz MWHGNYSGSJNMBU-UTLUCORTSA-N 2 2 184.283 0.220 20 0 ACADLP COCCC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2 169089650 487007275 /nfs/dbraw/zinc/00/72/75/487007275.db2.gz MBMYKJKIRYJSCD-MNOVXSKESA-N 2 2 198.310 0.849 20 0 ACADLP COCCC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2 169089650 487007278 /nfs/dbraw/zinc/00/72/78/487007278.db2.gz MBMYKJKIRYJSCD-MNOVXSKESA-N 2 2 198.310 0.849 20 0 ACADLP c1cn(CCC[NH+]2CCOCC2)c[nH+]1 198731702 487014866 /nfs/dbraw/zinc/01/48/66/487014866.db2.gz HCHMWOOIHZULGV-UHFFFAOYSA-N 2 2 195.266 0.605 20 0 ACADLP C[C@H]([NH2+][C@H]1CCC[NH2+]C1)[C@@H]1CCCO1 218066040 487028931 /nfs/dbraw/zinc/02/89/31/487028931.db2.gz PJOGNWODDWTTOA-DCAQKATOSA-N 2 2 198.310 0.896 20 0 ACADLP COC1CC([NH2+]C[C@H](C)[NH+](C)C)C1 221255976 487031861 /nfs/dbraw/zinc/03/18/61/487031861.db2.gz QGPYZVPRIMJFET-IDKOKCKLSA-N 2 2 186.299 0.704 20 0 ACADLP COC1CC([NH2+]C[C@H]2CCC[N@@H+]2C)C1 220901977 487032201 /nfs/dbraw/zinc/03/22/01/487032201.db2.gz RVLXVZHRNMLTGC-HSOILSAZSA-N 2 2 198.310 0.848 20 0 ACADLP COC1CC([NH2+]C[C@H]2CCC[N@H+]2C)C1 220901977 487032205 /nfs/dbraw/zinc/03/22/05/487032205.db2.gz RVLXVZHRNMLTGC-HSOILSAZSA-N 2 2 198.310 0.848 20 0 ACADLP C[C@@H]([NH3+])C[N@H+](CC(N)=O)C1CCCC1 222809450 487034387 /nfs/dbraw/zinc/03/43/87/487034387.db2.gz SXUVVXLPPIJYCI-MRVPVSSYSA-N 2 2 199.298 0.064 20 0 ACADLP C[C@@H]([NH3+])C[N@@H+](CC(N)=O)C1CCCC1 222809450 487034389 /nfs/dbraw/zinc/03/43/89/487034389.db2.gz SXUVVXLPPIJYCI-MRVPVSSYSA-N 2 2 199.298 0.064 20 0 ACADLP C[C@H]([NH3+])C[N@H+](CC(N)=O)C1CCCC1 222809517 487034444 /nfs/dbraw/zinc/03/44/44/487034444.db2.gz SXUVVXLPPIJYCI-QMMMGPOBSA-N 2 2 199.298 0.064 20 0 ACADLP C[C@H]([NH3+])C[N@@H+](CC(N)=O)C1CCCC1 222809517 487034450 /nfs/dbraw/zinc/03/44/50/487034450.db2.gz SXUVVXLPPIJYCI-QMMMGPOBSA-N 2 2 199.298 0.064 20 0 ACADLP CC[C@H](O)C[NH2+]C[C@H]1CCC[N@@H+]1C 226049796 487045928 /nfs/dbraw/zinc/04/59/28/487045928.db2.gz JQQNCPLUGUUUDU-ZJUUUORDSA-N 2 2 186.299 0.441 20 0 ACADLP CC[C@H](O)C[NH2+]C[C@H]1CCC[N@H+]1C 226049796 487045931 /nfs/dbraw/zinc/04/59/31/487045931.db2.gz JQQNCPLUGUUUDU-ZJUUUORDSA-N 2 2 186.299 0.441 20 0 ACADLP CC[C@@H](O)C[NH2+]C[C@H]1CCC[N@@H+]1C 226049789 487045940 /nfs/dbraw/zinc/04/59/40/487045940.db2.gz JQQNCPLUGUUUDU-NXEZZACHSA-N 2 2 186.299 0.441 20 0 ACADLP CC[C@@H](O)C[NH2+]C[C@H]1CCC[N@H+]1C 226049789 487045942 /nfs/dbraw/zinc/04/59/42/487045942.db2.gz JQQNCPLUGUUUDU-NXEZZACHSA-N 2 2 186.299 0.441 20 0 ACADLP C[C@H](C[NH3+])[N@H+](C)CCc1cnn(C)c1 226421935 487051052 /nfs/dbraw/zinc/05/10/52/487051052.db2.gz NFZWUXFPZUBOAR-SECBINFHSA-N 2 2 196.298 0.242 20 0 ACADLP C[C@H](C[NH3+])[N@@H+](C)CCc1cnn(C)c1 226421935 487051055 /nfs/dbraw/zinc/05/10/55/487051055.db2.gz NFZWUXFPZUBOAR-SECBINFHSA-N 2 2 196.298 0.242 20 0 ACADLP C1C[NH2+]CC[N@H+](CCOCC2CC2)C1 226414406 487051149 /nfs/dbraw/zinc/05/11/49/487051149.db2.gz MAHMICMABCSQJX-UHFFFAOYSA-N 2 2 198.310 0.708 20 0 ACADLP C1C[NH2+]CC[N@@H+](CCOCC2CC2)C1 226414406 487051152 /nfs/dbraw/zinc/05/11/52/487051152.db2.gz MAHMICMABCSQJX-UHFFFAOYSA-N 2 2 198.310 0.708 20 0 ACADLP Cc1cnc(C[N@@H+]2CC[C@@H](C[NH3+])C2)o1 226419611 487051328 /nfs/dbraw/zinc/05/13/28/487051328.db2.gz QXXBWLFLHZWQKG-VIFPVBQESA-N 2 2 195.266 0.764 20 0 ACADLP Cc1cnc(C[N@H+]2CC[C@@H](C[NH3+])C2)o1 226419611 487051333 /nfs/dbraw/zinc/05/13/33/487051333.db2.gz QXXBWLFLHZWQKG-VIFPVBQESA-N 2 2 195.266 0.764 20 0 ACADLP [NH3+][C@@H]1CC[N@H+](CCOCC2CC2)C1 226419452 487051459 /nfs/dbraw/zinc/05/14/59/487051459.db2.gz WHUUWWNZGCXHED-SNVBAGLBSA-N 2 2 184.283 0.446 20 0 ACADLP [NH3+][C@@H]1CC[N@@H+](CCOCC2CC2)C1 226419452 487051465 /nfs/dbraw/zinc/05/14/65/487051465.db2.gz WHUUWWNZGCXHED-SNVBAGLBSA-N 2 2 184.283 0.446 20 0 ACADLP [NH3+][C@H]1CC[N@H+](CCOCC2CC2)C1 226419457 487051489 /nfs/dbraw/zinc/05/14/89/487051489.db2.gz WHUUWWNZGCXHED-JTQLQIEISA-N 2 2 184.283 0.446 20 0 ACADLP [NH3+][C@H]1CC[N@@H+](CCOCC2CC2)C1 226419457 487051494 /nfs/dbraw/zinc/05/14/94/487051494.db2.gz WHUUWWNZGCXHED-JTQLQIEISA-N 2 2 184.283 0.446 20 0 ACADLP Cc1cnc(C[N@@H+]2CC[C@H](C[NH3+])C2)o1 226419617 487051537 /nfs/dbraw/zinc/05/15/37/487051537.db2.gz QXXBWLFLHZWQKG-SECBINFHSA-N 2 2 195.266 0.764 20 0 ACADLP Cc1cnc(C[N@H+]2CC[C@H](C[NH3+])C2)o1 226419617 487051540 /nfs/dbraw/zinc/05/15/40/487051540.db2.gz QXXBWLFLHZWQKG-SECBINFHSA-N 2 2 195.266 0.764 20 0 ACADLP C[C@@H]([NH2+][C@H]1CC[NH2+]C1)[C@@H]1CCCO1 226431707 487051752 /nfs/dbraw/zinc/05/17/52/487051752.db2.gz PAPDMQDKZMLFKE-UTLUCORTSA-N 2 2 184.283 0.505 20 0 ACADLP C[C@@H](C[NH3+])[N@H+](C)CCc1cnn(C)c1 226421927 487051760 /nfs/dbraw/zinc/05/17/60/487051760.db2.gz NFZWUXFPZUBOAR-VIFPVBQESA-N 2 2 196.298 0.242 20 0 ACADLP C[C@@H](C[NH3+])[N@@H+](C)CCc1cnn(C)c1 226421927 487051764 /nfs/dbraw/zinc/05/17/64/487051764.db2.gz NFZWUXFPZUBOAR-VIFPVBQESA-N 2 2 196.298 0.242 20 0 ACADLP [NH3+][C@@H]1CCC[N@H+](CCOCC2CC2)C1 226417523 487051807 /nfs/dbraw/zinc/05/18/07/487051807.db2.gz QAHCJXIMPGRCPD-LLVKDONJSA-N 2 2 198.310 0.836 20 0 ACADLP [NH3+][C@@H]1CCC[N@@H+](CCOCC2CC2)C1 226417523 487051811 /nfs/dbraw/zinc/05/18/11/487051811.db2.gz QAHCJXIMPGRCPD-LLVKDONJSA-N 2 2 198.310 0.836 20 0 ACADLP [NH3+][C@H]1CCC[N@H+](CCOCC2CC2)C1 226417529 487051866 /nfs/dbraw/zinc/05/18/66/487051866.db2.gz QAHCJXIMPGRCPD-NSHDSACASA-N 2 2 198.310 0.836 20 0 ACADLP [NH3+][C@H]1CCC[N@@H+](CCOCC2CC2)C1 226417529 487051870 /nfs/dbraw/zinc/05/18/70/487051870.db2.gz QAHCJXIMPGRCPD-NSHDSACASA-N 2 2 198.310 0.836 20 0 ACADLP C[C@H]1CC[C@@H](C[N@@H+]2CCC[C@@H]([NH3+])C2)O1 227063481 487053621 /nfs/dbraw/zinc/05/36/21/487053621.db2.gz ZCYUGLZQZPQHPY-AXFHLTTASA-N 2 2 198.310 0.977 20 0 ACADLP C[C@H]1CC[C@@H](C[N@H+]2CCC[C@@H]([NH3+])C2)O1 227063481 487053622 /nfs/dbraw/zinc/05/36/22/487053622.db2.gz ZCYUGLZQZPQHPY-AXFHLTTASA-N 2 2 198.310 0.977 20 0 ACADLP C[C@@H]1CC[C@@H](C[N@@H+]2CCC[C@@H]([NH3+])C2)O1 227063475 487053651 /nfs/dbraw/zinc/05/36/51/487053651.db2.gz ZCYUGLZQZPQHPY-MXWKQRLJSA-N 2 2 198.310 0.977 20 0 ACADLP C[C@@H]1CC[C@@H](C[N@H+]2CCC[C@@H]([NH3+])C2)O1 227063475 487053653 /nfs/dbraw/zinc/05/36/53/487053653.db2.gz ZCYUGLZQZPQHPY-MXWKQRLJSA-N 2 2 198.310 0.977 20 0 ACADLP C[C@H]1CC[C@H](C[N@@H+]2CCC[C@@H]([NH3+])C2)O1 227063491 487053705 /nfs/dbraw/zinc/05/37/05/487053705.db2.gz ZCYUGLZQZPQHPY-HBNTYKKESA-N 2 2 198.310 0.977 20 0 ACADLP C[C@H]1CC[C@H](C[N@H+]2CCC[C@@H]([NH3+])C2)O1 227063491 487053710 /nfs/dbraw/zinc/05/37/10/487053710.db2.gz ZCYUGLZQZPQHPY-HBNTYKKESA-N 2 2 198.310 0.977 20 0 ACADLP C[C@@H]1CC[C@H](C[N@H+]2CCC[C@@H]([NH3+])C2)O1 227063487 487054087 /nfs/dbraw/zinc/05/40/87/487054087.db2.gz ZCYUGLZQZPQHPY-GMTAPVOTSA-N 2 2 198.310 0.977 20 0 ACADLP C[C@@H]1CC[C@H](C[N@@H+]2CCC[C@@H]([NH3+])C2)O1 227063487 487054082 /nfs/dbraw/zinc/05/40/82/487054082.db2.gz ZCYUGLZQZPQHPY-GMTAPVOTSA-N 2 2 198.310 0.977 20 0 ACADLP C[NH2+][C@@H]1CCC[N@@H+]([C@@H](C)COC)C1 226710965 487054181 /nfs/dbraw/zinc/05/41/81/487054181.db2.gz DDAGSUBBPNGKRT-VHSXEESVSA-N 2 2 186.299 0.705 20 0 ACADLP C[NH2+][C@@H]1CCC[N@H+]([C@@H](C)COC)C1 226710965 487054189 /nfs/dbraw/zinc/05/41/89/487054189.db2.gz DDAGSUBBPNGKRT-VHSXEESVSA-N 2 2 186.299 0.705 20 0 ACADLP C[NH2+][C@@H]1CC[N@@H+]([C@@H](C)CCOC)C1 227222861 487054739 /nfs/dbraw/zinc/05/47/39/487054739.db2.gz AVOCHSPVJZJDNZ-VHSXEESVSA-N 2 2 186.299 0.705 20 0 ACADLP C[NH2+][C@@H]1CC[N@H+]([C@@H](C)CCOC)C1 227222861 487054743 /nfs/dbraw/zinc/05/47/43/487054743.db2.gz AVOCHSPVJZJDNZ-VHSXEESVSA-N 2 2 186.299 0.705 20 0 ACADLP Cn1nccc1C[N@H+](C)CCC[NH3+] 227742773 487055885 /nfs/dbraw/zinc/05/58/85/487055885.db2.gz XDMXAZNNOJJUIZ-UHFFFAOYSA-N 2 2 182.271 0.201 20 0 ACADLP Cn1nccc1C[N@@H+](C)CCC[NH3+] 227742773 487055890 /nfs/dbraw/zinc/05/58/90/487055890.db2.gz XDMXAZNNOJJUIZ-UHFFFAOYSA-N 2 2 182.271 0.201 20 0 ACADLP C[C@H](c1cnccn1)[N@H+](C)CCC[NH3+] 227744257 487056200 /nfs/dbraw/zinc/05/62/00/487056200.db2.gz ROZJESZUSNRPDS-SECBINFHSA-N 2 2 194.282 0.818 20 0 ACADLP C[C@H](c1cnccn1)[N@@H+](C)CCC[NH3+] 227744257 487056206 /nfs/dbraw/zinc/05/62/06/487056206.db2.gz ROZJESZUSNRPDS-SECBINFHSA-N 2 2 194.282 0.818 20 0 ACADLP C[C@@H](c1cnccn1)[N@H+](C)CCC[NH3+] 227744253 487056263 /nfs/dbraw/zinc/05/62/63/487056263.db2.gz ROZJESZUSNRPDS-VIFPVBQESA-N 2 2 194.282 0.818 20 0 ACADLP C[C@@H](c1cnccn1)[N@@H+](C)CCC[NH3+] 227744253 487056267 /nfs/dbraw/zinc/05/62/67/487056267.db2.gz ROZJESZUSNRPDS-VIFPVBQESA-N 2 2 194.282 0.818 20 0 ACADLP Cc1cc(C[N@H+](C)CCC[NH3+])on1 227747593 487056438 /nfs/dbraw/zinc/05/64/38/487056438.db2.gz MBSRVOOQOXVKII-UHFFFAOYSA-N 2 2 183.255 0.764 20 0 ACADLP Cc1cc(C[N@@H+](C)CCC[NH3+])on1 227747593 487056442 /nfs/dbraw/zinc/05/64/42/487056442.db2.gz MBSRVOOQOXVKII-UHFFFAOYSA-N 2 2 183.255 0.764 20 0 ACADLP CCn1cc[nH+]c1CN(C)CCC[NH3+] 227746923 487056678 /nfs/dbraw/zinc/05/66/78/487056678.db2.gz CYFKVZUAIRNLLD-UHFFFAOYSA-N 2 2 196.298 0.684 20 0 ACADLP C[C@H]([NH3+])C[N@H+](C)CC[C@@H](C)O 228001529 487056985 /nfs/dbraw/zinc/05/69/85/487056985.db2.gz OHGSKMWFUZYQIV-JGVFFNPUSA-N 2 2 160.261 0.036 20 0 ACADLP C[C@H]([NH3+])C[N@@H+](C)CC[C@@H](C)O 228001529 487056990 /nfs/dbraw/zinc/05/69/90/487056990.db2.gz OHGSKMWFUZYQIV-JGVFFNPUSA-N 2 2 160.261 0.036 20 0 ACADLP [NH3+][C@@H]1CCC[N@H+](C[C@H]2CCCCO2)C1 230642071 487074655 /nfs/dbraw/zinc/07/46/55/487074655.db2.gz HJJHJWSBKJIAQS-GHMZBOCLSA-N 2 2 198.310 0.979 20 0 ACADLP [NH3+][C@@H]1CCC[N@@H+](C[C@H]2CCCCO2)C1 230642071 487074659 /nfs/dbraw/zinc/07/46/59/487074659.db2.gz HJJHJWSBKJIAQS-GHMZBOCLSA-N 2 2 198.310 0.979 20 0 ACADLP CC[N@H+](CC[NH3+])CCc1ccnn1C 230749343 487075591 /nfs/dbraw/zinc/07/55/91/487075591.db2.gz IWYWZJHUEZMWQS-UHFFFAOYSA-N 2 2 196.298 0.243 20 0 ACADLP CC[N@@H+](CC[NH3+])CCc1ccnn1C 230749343 487075594 /nfs/dbraw/zinc/07/55/94/487075594.db2.gz IWYWZJHUEZMWQS-UHFFFAOYSA-N 2 2 196.298 0.243 20 0 ACADLP CC[N@H+](CC[NH3+])CCc1cnn(C)c1 230749349 487075719 /nfs/dbraw/zinc/07/57/19/487075719.db2.gz VQZNBORTIDKNAJ-UHFFFAOYSA-N 2 2 196.298 0.243 20 0 ACADLP CC[N@@H+](CC[NH3+])CCc1cnn(C)c1 230749349 487075721 /nfs/dbraw/zinc/07/57/21/487075721.db2.gz VQZNBORTIDKNAJ-UHFFFAOYSA-N 2 2 196.298 0.243 20 0 ACADLP C[C@@H](C[NH3+])[N@H+](C)CCc1ccnn1C 230900058 487076160 /nfs/dbraw/zinc/07/61/60/487076160.db2.gz NAXSNTXGTBVMRV-VIFPVBQESA-N 2 2 196.298 0.242 20 0 ACADLP C[C@@H](C[NH3+])[N@@H+](C)CCc1ccnn1C 230900058 487076165 /nfs/dbraw/zinc/07/61/65/487076165.db2.gz NAXSNTXGTBVMRV-VIFPVBQESA-N 2 2 196.298 0.242 20 0 ACADLP C[C@H](C[NH3+])[N@H+](C)CCc1ccnn1C 230900062 487076911 /nfs/dbraw/zinc/07/69/11/487076911.db2.gz NAXSNTXGTBVMRV-SECBINFHSA-N 2 2 196.298 0.242 20 0 ACADLP C[C@H](C[NH3+])[N@@H+](C)CCc1ccnn1C 230900062 487076915 /nfs/dbraw/zinc/07/69/15/487076915.db2.gz NAXSNTXGTBVMRV-SECBINFHSA-N 2 2 196.298 0.242 20 0 ACADLP CC[N@H+](CC[NH3+])C[C@H]1CC[C@@H](C)O1 231818656 487078156 /nfs/dbraw/zinc/07/81/56/487078156.db2.gz ARJWPPOEBHBKCU-NXEZZACHSA-N 2 2 186.299 0.835 20 0 ACADLP CC[N@@H+](CC[NH3+])C[C@H]1CC[C@@H](C)O1 231818656 487078161 /nfs/dbraw/zinc/07/81/61/487078161.db2.gz ARJWPPOEBHBKCU-NXEZZACHSA-N 2 2 186.299 0.835 20 0 ACADLP CC[N@H+](CC[NH3+])C[C@@H]1CC[C@@H](C)O1 231818653 487078324 /nfs/dbraw/zinc/07/83/24/487078324.db2.gz ARJWPPOEBHBKCU-ZJUUUORDSA-N 2 2 186.299 0.835 20 0 ACADLP CC[N@@H+](CC[NH3+])C[C@@H]1CC[C@@H](C)O1 231818653 487078327 /nfs/dbraw/zinc/07/83/27/487078327.db2.gz ARJWPPOEBHBKCU-ZJUUUORDSA-N 2 2 186.299 0.835 20 0 ACADLP C[C@@H](C[NH3+])[N@H+](C)C[C@@H]1CC[C@@H](C)O1 232047929 487080875 /nfs/dbraw/zinc/08/08/75/487080875.db2.gz DJQGQRYFHUBKJH-AEJSXWLSSA-N 2 2 186.299 0.833 20 0 ACADLP C[C@@H](C[NH3+])[N@@H+](C)C[C@@H]1CC[C@@H](C)O1 232047929 487080879 /nfs/dbraw/zinc/08/08/79/487080879.db2.gz DJQGQRYFHUBKJH-AEJSXWLSSA-N 2 2 186.299 0.833 20 0 ACADLP C[C@@H]1CC[C@@H](C[N@@H+](C)[C@H](C)C[NH3+])O1 232047930 487081294 /nfs/dbraw/zinc/08/12/94/487081294.db2.gz DJQGQRYFHUBKJH-BBBLOLIVSA-N 2 2 186.299 0.833 20 0 ACADLP C[C@@H]1CC[C@@H](C[N@H+](C)[C@H](C)C[NH3+])O1 232047930 487081297 /nfs/dbraw/zinc/08/12/97/487081297.db2.gz DJQGQRYFHUBKJH-BBBLOLIVSA-N 2 2 186.299 0.833 20 0 ACADLP CC(C)COCC[N@H+](C)[C@@H](C)C[NH3+] 232639884 487084486 /nfs/dbraw/zinc/08/44/86/487084486.db2.gz CTNMWAACOJEGNG-JTQLQIEISA-N 2 2 188.315 0.938 20 0 ACADLP CC(C)COCC[N@@H+](C)[C@@H](C)C[NH3+] 232639884 487084491 /nfs/dbraw/zinc/08/44/91/487084491.db2.gz CTNMWAACOJEGNG-JTQLQIEISA-N 2 2 188.315 0.938 20 0 ACADLP CC(C)COCC[N@H+](C)[C@H](C)C[NH3+] 232640949 487084651 /nfs/dbraw/zinc/08/46/51/487084651.db2.gz CTNMWAACOJEGNG-SNVBAGLBSA-N 2 2 188.315 0.938 20 0 ACADLP CC(C)COCC[N@@H+](C)[C@H](C)C[NH3+] 232640949 487084654 /nfs/dbraw/zinc/08/46/54/487084654.db2.gz CTNMWAACOJEGNG-SNVBAGLBSA-N 2 2 188.315 0.938 20 0 ACADLP CC(C)COCC[N@H+](C)CC[NH3+] 232636406 487084777 /nfs/dbraw/zinc/08/47/77/487084777.db2.gz UZWOSMUAGLJZIF-UHFFFAOYSA-N 2 2 174.288 0.550 20 0 ACADLP CC(C)COCC[N@@H+](C)CC[NH3+] 232636406 487084781 /nfs/dbraw/zinc/08/47/81/487084781.db2.gz UZWOSMUAGLJZIF-UHFFFAOYSA-N 2 2 174.288 0.550 20 0 ACADLP CC1(C[NH2+]C[C@@H]2C[NH2+]CCO2)CC1 232894689 487087078 /nfs/dbraw/zinc/08/70/78/487087078.db2.gz DZJOCVKELNMXTL-VIFPVBQESA-N 2 2 184.283 0.365 20 0 ACADLP CC1(C[NH2+]C[C@H]2C[NH2+]CCO2)CC1 232912696 487087121 /nfs/dbraw/zinc/08/71/21/487087121.db2.gz DZJOCVKELNMXTL-SECBINFHSA-N 2 2 184.283 0.365 20 0 ACADLP CCC[C@@H](C)[NH2+]C[C@@H]1C[NH2+]CCO1 233281677 487089062 /nfs/dbraw/zinc/08/90/62/487089062.db2.gz LPOZFXNJMLWYES-ZJUUUORDSA-N 2 2 186.299 0.753 20 0 ACADLP CCC[C@@H](C)[NH2+]C[C@H]1C[NH2+]CCO1 233277402 487089246 /nfs/dbraw/zinc/08/92/46/487089246.db2.gz LPOZFXNJMLWYES-NXEZZACHSA-N 2 2 186.299 0.753 20 0 ACADLP CCC[C@H](C)[NH2+]C[C@H]1C[NH2+]CCO1 233337498 487090030 /nfs/dbraw/zinc/09/00/30/487090030.db2.gz LPOZFXNJMLWYES-VHSXEESVSA-N 2 2 186.299 0.753 20 0 ACADLP CCC[C@H](C)[NH2+]C[C@@H]1C[NH2+]CCO1 233338240 487090333 /nfs/dbraw/zinc/09/03/33/487090333.db2.gz LPOZFXNJMLWYES-UWVGGRQHSA-N 2 2 186.299 0.753 20 0 ACADLP CC[N@H+](CC[NH3+])CCOCC(C)C 233452481 487091358 /nfs/dbraw/zinc/09/13/58/487091358.db2.gz XADYNJVNJYMGHR-UHFFFAOYSA-N 2 2 188.315 0.940 20 0 ACADLP CC[N@@H+](CC[NH3+])CCOCC(C)C 233452481 487091359 /nfs/dbraw/zinc/09/13/59/487091359.db2.gz XADYNJVNJYMGHR-UHFFFAOYSA-N 2 2 188.315 0.940 20 0 ACADLP CCN(CC[NH3+])Cc1c[nH+]cn1C 233454953 487091615 /nfs/dbraw/zinc/09/16/15/487091615.db2.gz LZOVMKAZXBNNEY-UHFFFAOYSA-N 2 2 182.271 0.201 20 0 ACADLP C[NH2+]C[C@H](C)NCc1c[nH+]cn1C 234404117 487095668 /nfs/dbraw/zinc/09/56/68/487095668.db2.gz VWWFQQISSKFSKU-QMMMGPOBSA-N 2 2 182.271 0.118 20 0 ACADLP C[N@H+](CC[NH3+])C[C@@H]1CC1(C)C 234277171 487095932 /nfs/dbraw/zinc/09/59/32/487095932.db2.gz SUVNVOYBZOTYBS-QMMMGPOBSA-N 2 2 156.273 0.923 20 0 ACADLP C[N@@H+](CC[NH3+])C[C@@H]1CC1(C)C 234277171 487095938 /nfs/dbraw/zinc/09/59/38/487095938.db2.gz SUVNVOYBZOTYBS-QMMMGPOBSA-N 2 2 156.273 0.923 20 0 ACADLP C[N@H+](CC[NH3+])C[C@H]1CC1(C)C 234277392 487096116 /nfs/dbraw/zinc/09/61/16/487096116.db2.gz SUVNVOYBZOTYBS-MRVPVSSYSA-N 2 2 156.273 0.923 20 0 ACADLP C[N@@H+](CC[NH3+])C[C@H]1CC1(C)C 234277392 487096121 /nfs/dbraw/zinc/09/61/21/487096121.db2.gz SUVNVOYBZOTYBS-MRVPVSSYSA-N 2 2 156.273 0.923 20 0 ACADLP C[NH2+]C[C@@H](C)NCc1c[nH+]cn1C 234364234 487096408 /nfs/dbraw/zinc/09/64/08/487096408.db2.gz VWWFQQISSKFSKU-MRVPVSSYSA-N 2 2 182.271 0.118 20 0 ACADLP C[NH2+][C@@H]1CC[N@H+](CC[C@@H]2CCOC2)C1 234452926 487096802 /nfs/dbraw/zinc/09/68/02/487096802.db2.gz NJLNNRFRUXHBNX-GHMZBOCLSA-N 2 2 198.310 0.707 20 0 ACADLP C[NH2+][C@@H]1CC[N@@H+](CC[C@@H]2CCOC2)C1 234452926 487096807 /nfs/dbraw/zinc/09/68/07/487096807.db2.gz NJLNNRFRUXHBNX-GHMZBOCLSA-N 2 2 198.310 0.707 20 0 ACADLP C[NH2+][C@H]1CC[N@H+](CC[C@@H]2CCOC2)C1 234513851 487096913 /nfs/dbraw/zinc/09/69/13/487096913.db2.gz NJLNNRFRUXHBNX-MNOVXSKESA-N 2 2 198.310 0.707 20 0 ACADLP C[NH2+][C@H]1CC[N@@H+](CC[C@@H]2CCOC2)C1 234513851 487096915 /nfs/dbraw/zinc/09/69/15/487096915.db2.gz NJLNNRFRUXHBNX-MNOVXSKESA-N 2 2 198.310 0.707 20 0 ACADLP COCC[NH2+]CC[NH2+]CC1(C)CC1 234663100 487098336 /nfs/dbraw/zinc/09/83/36/487098336.db2.gz GQDHEYCOFOCFCI-UHFFFAOYSA-N 2 2 186.299 0.612 20 0 ACADLP C[C@@H](NC(=O)C[NH+](C)C)c1[nH]cc[nH+]1 235168754 487100974 /nfs/dbraw/zinc/10/09/74/487100974.db2.gz MLNWBNHLEQHAHB-SSDOTTSWSA-N 2 2 196.254 0.149 20 0 ACADLP C[C@@H]1OCC[C@H]1C[N@H+]1CCC[NH2+]CC1 235297409 487101352 /nfs/dbraw/zinc/10/13/52/487101352.db2.gz KFFZRIQDHYMEKS-QWRGUYRKSA-N 2 2 198.310 0.707 20 0 ACADLP C[C@@H]1OCC[C@H]1C[N@@H+]1CCC[NH2+]CC1 235297409 487101348 /nfs/dbraw/zinc/10/13/48/487101348.db2.gz KFFZRIQDHYMEKS-QWRGUYRKSA-N 2 2 198.310 0.707 20 0 ACADLP C[C@@H]1OCC[C@@H]1C[N@@H+]1CCC[NH2+]CC1 235303302 487101439 /nfs/dbraw/zinc/10/14/39/487101439.db2.gz KFFZRIQDHYMEKS-WDEREUQCSA-N 2 2 198.310 0.707 20 0 ACADLP C[C@@H]1OCC[C@@H]1C[N@H+]1CCC[NH2+]CC1 235303302 487101446 /nfs/dbraw/zinc/10/14/46/487101446.db2.gz KFFZRIQDHYMEKS-WDEREUQCSA-N 2 2 198.310 0.707 20 0 ACADLP C[C@@H]1OCC[C@H]1[NH2+]C[C@@H]1CCCC[NH2+]1 235339877 487103181 /nfs/dbraw/zinc/10/31/81/487103181.db2.gz JVGZACGMSPGRNV-GARJFASQSA-N 2 2 198.310 0.896 20 0 ACADLP C[C@@H]1OCC[C@@H]1[NH2+]C[C@@H]1CCCC[NH2+]1 235344699 487103876 /nfs/dbraw/zinc/10/38/76/487103876.db2.gz JVGZACGMSPGRNV-DCAQKATOSA-N 2 2 198.310 0.896 20 0 ACADLP Cc1cnccc1C[NH2+][C@H](C)C[NH3+] 235455960 487103911 /nfs/dbraw/zinc/10/39/11/487103911.db2.gz GRKWEPZGTMGCBD-SECBINFHSA-N 2 2 179.267 0.827 20 0 ACADLP C[C@H]1OCC[C@H]1C[N@H+]1CCC[NH2+]CC1 235593454 487105597 /nfs/dbraw/zinc/10/55/97/487105597.db2.gz KFFZRIQDHYMEKS-MNOVXSKESA-N 2 2 198.310 0.707 20 0 ACADLP C[C@H]1OCC[C@H]1C[N@@H+]1CCC[NH2+]CC1 235593454 487105593 /nfs/dbraw/zinc/10/55/93/487105593.db2.gz KFFZRIQDHYMEKS-MNOVXSKESA-N 2 2 198.310 0.707 20 0 ACADLP C[C@H]1OCC[C@@H]1C[N@@H+]1CCC[NH2+]CC1 235622271 487107056 /nfs/dbraw/zinc/10/70/56/487107056.db2.gz KFFZRIQDHYMEKS-GHMZBOCLSA-N 2 2 198.310 0.707 20 0 ACADLP C[C@H]1OCC[C@@H]1C[N@H+]1CCC[NH2+]CC1 235622271 487107058 /nfs/dbraw/zinc/10/70/58/487107058.db2.gz KFFZRIQDHYMEKS-GHMZBOCLSA-N 2 2 198.310 0.707 20 0 ACADLP CC(C)CN1CC[N@H+](C)C[C@H]1C[NH3+] 250601693 487113335 /nfs/dbraw/zinc/11/33/35/487113335.db2.gz SFGOMWQVWNBEIT-SNVBAGLBSA-N 2 2 185.315 0.217 20 0 ACADLP CC(C)CN1CC[N@@H+](C)C[C@H]1C[NH3+] 250601693 487113339 /nfs/dbraw/zinc/11/33/39/487113339.db2.gz SFGOMWQVWNBEIT-SNVBAGLBSA-N 2 2 185.315 0.217 20 0 ACADLP CC(C)C[N@@H+]1CCN(C)C[C@H]1C[NH3+] 250601693 487113343 /nfs/dbraw/zinc/11/33/43/487113343.db2.gz SFGOMWQVWNBEIT-SNVBAGLBSA-N 2 2 185.315 0.217 20 0 ACADLP CC(C)C[N@H+]1CCN(C)C[C@H]1C[NH3+] 250601693 487113347 /nfs/dbraw/zinc/11/33/47/487113347.db2.gz SFGOMWQVWNBEIT-SNVBAGLBSA-N 2 2 185.315 0.217 20 0 ACADLP COC[C@@H](C)[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2 250974797 487114236 /nfs/dbraw/zinc/11/42/36/487114236.db2.gz GNPASCMDVADVJH-MXWKQRLJSA-N 2 2 198.310 0.848 20 0 ACADLP COC[C@H](C)[N@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2 250974795 487114354 /nfs/dbraw/zinc/11/43/54/487114354.db2.gz GNPASCMDVADVJH-AXFHLTTASA-N 2 2 198.310 0.848 20 0 ACADLP COC[C@@H](C)[N@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2 250974797 487114243 /nfs/dbraw/zinc/11/42/43/487114243.db2.gz GNPASCMDVADVJH-MXWKQRLJSA-N 2 2 198.310 0.848 20 0 ACADLP C[NH2+][C@@H]1CCC[N@@H+]([C@H](C)COC)C1 250968958 487114256 /nfs/dbraw/zinc/11/42/56/487114256.db2.gz DDAGSUBBPNGKRT-NXEZZACHSA-N 2 2 186.299 0.705 20 0 ACADLP C[NH2+][C@@H]1CCC[N@H+]([C@H](C)COC)C1 250968958 487114261 /nfs/dbraw/zinc/11/42/61/487114261.db2.gz DDAGSUBBPNGKRT-NXEZZACHSA-N 2 2 186.299 0.705 20 0 ACADLP COC[C@H](C)[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2 250974795 487114351 /nfs/dbraw/zinc/11/43/51/487114351.db2.gz GNPASCMDVADVJH-AXFHLTTASA-N 2 2 198.310 0.848 20 0 ACADLP C[NH2+][C@@H]1CC[N@@H+]([C@H](C)COC)C1 250986748 487114433 /nfs/dbraw/zinc/11/44/33/487114433.db2.gz KRBGALCSULVJOM-RKDXNWHRSA-N 2 2 172.272 0.315 20 0 ACADLP C[NH2+][C@@H]1CC[N@H+]([C@H](C)COC)C1 250986748 487114436 /nfs/dbraw/zinc/11/44/36/487114436.db2.gz KRBGALCSULVJOM-RKDXNWHRSA-N 2 2 172.272 0.315 20 0 ACADLP C[NH2+][C@@H]1CC[N@@H+]([C@H](C)CCOC)C1 251152319 487115685 /nfs/dbraw/zinc/11/56/85/487115685.db2.gz AVOCHSPVJZJDNZ-NXEZZACHSA-N 2 2 186.299 0.705 20 0 ACADLP C[NH2+][C@@H]1CC[N@H+]([C@H](C)CCOC)C1 251152319 487115688 /nfs/dbraw/zinc/11/56/88/487115688.db2.gz AVOCHSPVJZJDNZ-NXEZZACHSA-N 2 2 186.299 0.705 20 0 ACADLP C[C@H](C[NH2+][C@H]1CCC[C@H]1C[NH3+])[NH+](C)C 251119274 487115711 /nfs/dbraw/zinc/11/57/11/487115711.db2.gz QPHSZAFOGOBZTD-VWYCJHECSA-N 3 2 199.342 0.654 20 0 ACADLP C[C@H](C[NH2+][C@@H]1CCC[C@H]1C[NH3+])[NH+](C)C 251119271 487115726 /nfs/dbraw/zinc/11/57/26/487115726.db2.gz QPHSZAFOGOBZTD-OUAUKWLOSA-N 3 2 199.342 0.654 20 0 ACADLP C[C@H]([NH2+][C@H]1CCC[NH2+]C1)[C@H]1CCCO1 251606907 487119543 /nfs/dbraw/zinc/11/95/43/487119543.db2.gz PJOGNWODDWTTOA-GARJFASQSA-N 2 2 198.310 0.896 20 0 ACADLP CC[C@H](C)CN1CC[N@H+](C)C[C@H]1C[NH3+] 252020144 487121764 /nfs/dbraw/zinc/12/17/64/487121764.db2.gz XGHZPYITCPDUIU-WDEREUQCSA-N 2 2 199.342 0.607 20 0 ACADLP CC[C@H](C)CN1CC[N@@H+](C)C[C@H]1C[NH3+] 252020144 487121769 /nfs/dbraw/zinc/12/17/69/487121769.db2.gz XGHZPYITCPDUIU-WDEREUQCSA-N 2 2 199.342 0.607 20 0 ACADLP CC[C@H](C)C[N@@H+]1CCN(C)C[C@H]1C[NH3+] 252020144 487121773 /nfs/dbraw/zinc/12/17/73/487121773.db2.gz XGHZPYITCPDUIU-WDEREUQCSA-N 2 2 199.342 0.607 20 0 ACADLP CC[C@H](C)C[N@H+]1CCN(C)C[C@H]1C[NH3+] 252020144 487121778 /nfs/dbraw/zinc/12/17/78/487121778.db2.gz XGHZPYITCPDUIU-WDEREUQCSA-N 2 2 199.342 0.607 20 0 ACADLP CC[C@@H](C)CN1CC[N@H+](C)C[C@H]1C[NH3+] 252020142 487122279 /nfs/dbraw/zinc/12/22/79/487122279.db2.gz XGHZPYITCPDUIU-GHMZBOCLSA-N 2 2 199.342 0.607 20 0 ACADLP CC[C@@H](C)CN1CC[N@@H+](C)C[C@H]1C[NH3+] 252020142 487122284 /nfs/dbraw/zinc/12/22/84/487122284.db2.gz XGHZPYITCPDUIU-GHMZBOCLSA-N 2 2 199.342 0.607 20 0 ACADLP CC[C@@H](C)C[N@@H+]1CCN(C)C[C@H]1C[NH3+] 252020142 487122288 /nfs/dbraw/zinc/12/22/88/487122288.db2.gz XGHZPYITCPDUIU-GHMZBOCLSA-N 2 2 199.342 0.607 20 0 ACADLP CC[C@@H](C)C[N@H+]1CCN(C)C[C@H]1C[NH3+] 252020142 487122293 /nfs/dbraw/zinc/12/22/93/487122293.db2.gz XGHZPYITCPDUIU-GHMZBOCLSA-N 2 2 199.342 0.607 20 0 ACADLP CC[N@H+](CC[NH3+])C[C@H]1CC[C@H](C)O1 299990837 487140449 /nfs/dbraw/zinc/14/04/49/487140449.db2.gz ARJWPPOEBHBKCU-VHSXEESVSA-N 2 2 186.299 0.835 20 0 ACADLP C[C@H]([NH3+])C[N@H+](C)CC[C@H](C)O 252870625 487128426 /nfs/dbraw/zinc/12/84/26/487128426.db2.gz OHGSKMWFUZYQIV-YUMQZZPRSA-N 2 2 160.261 0.036 20 0 ACADLP C[C@H]([NH3+])C[N@@H+](C)CC[C@H](C)O 252870625 487128428 /nfs/dbraw/zinc/12/84/28/487128428.db2.gz OHGSKMWFUZYQIV-YUMQZZPRSA-N 2 2 160.261 0.036 20 0 ACADLP C[C@@H]1C[C@@H]1C[NH2+]C[C@H]1C[NH2+]CCO1 252960117 487129251 /nfs/dbraw/zinc/12/92/51/487129251.db2.gz MWHGNYSGSJNMBU-OPRDCNLKSA-N 2 2 184.283 0.220 20 0 ACADLP C[C@@H]1C[C@H]1C[NH2+]C[C@H]1C[NH2+]CCO1 252960116 487129558 /nfs/dbraw/zinc/12/95/58/487129558.db2.gz MWHGNYSGSJNMBU-KXUCPTDWSA-N 2 2 184.283 0.220 20 0 ACADLP C[C@@H]1CC[C@@H]([NH2+]C[C@H]2C[NH2+]CCO2)C1 253284921 487132523 /nfs/dbraw/zinc/13/25/23/487132523.db2.gz NHBFDNKCCYIKTM-GMTAPVOTSA-N 2 2 198.310 0.753 20 0 ACADLP C[C@@H]1CC[C@H]([NH2+]C[C@H]2C[NH2+]CCO2)C1 253284922 487132717 /nfs/dbraw/zinc/13/27/17/487132717.db2.gz NHBFDNKCCYIKTM-OUAUKWLOSA-N 2 2 198.310 0.753 20 0 ACADLP CC[NH2+]CC1CC[NH+](CC[NH3+])CC1 258707233 487134564 /nfs/dbraw/zinc/13/45/64/487134564.db2.gz RYNIYTROHKQWQO-UHFFFAOYSA-N 3 2 185.315 0.267 20 0 ACADLP C[C@@H](C[NH3+])[N@H+](C)C[C@H]1CC[C@@H](C)O1 299991660 487140014 /nfs/dbraw/zinc/14/00/14/487140014.db2.gz DJQGQRYFHUBKJH-IVZWLZJFSA-N 2 2 186.299 0.833 20 0 ACADLP C[C@@H](C[NH3+])[N@@H+](C)C[C@H]1CC[C@@H](C)O1 299991660 487140019 /nfs/dbraw/zinc/14/00/19/487140019.db2.gz DJQGQRYFHUBKJH-IVZWLZJFSA-N 2 2 186.299 0.833 20 0 ACADLP COCCC[N@@H+]1CCC[C@H]2C[NH2+]C[C@H]21 299894192 487140089 /nfs/dbraw/zinc/14/00/89/487140089.db2.gz UIZFBTCHXXSVAW-WDEREUQCSA-N 2 2 198.310 0.707 20 0 ACADLP COCCC[N@H+]1CCC[C@H]2C[NH2+]C[C@H]21 299894192 487140093 /nfs/dbraw/zinc/14/00/93/487140093.db2.gz UIZFBTCHXXSVAW-WDEREUQCSA-N 2 2 198.310 0.707 20 0 ACADLP CCOCC[N@@H+]1CCC[C@H]2C[NH2+]C[C@H]21 299893394 487140417 /nfs/dbraw/zinc/14/04/17/487140417.db2.gz KRSTYCCNXFTQIN-WDEREUQCSA-N 2 2 198.310 0.707 20 0 ACADLP CCOCC[N@H+]1CCC[C@H]2C[NH2+]C[C@H]21 299893394 487140421 /nfs/dbraw/zinc/14/04/21/487140421.db2.gz KRSTYCCNXFTQIN-WDEREUQCSA-N 2 2 198.310 0.707 20 0 ACADLP CC[N@@H+](CC[NH3+])C[C@H]1CC[C@H](C)O1 299990837 487140451 /nfs/dbraw/zinc/14/04/51/487140451.db2.gz ARJWPPOEBHBKCU-VHSXEESVSA-N 2 2 186.299 0.835 20 0 ACADLP CC[N@H+](CC[NH3+])C[C@@H]1CC[C@H](C)O1 299990835 487140540 /nfs/dbraw/zinc/14/05/40/487140540.db2.gz ARJWPPOEBHBKCU-UWVGGRQHSA-N 2 2 186.299 0.835 20 0 ACADLP CC[N@@H+](CC[NH3+])C[C@@H]1CC[C@H](C)O1 299990835 487140543 /nfs/dbraw/zinc/14/05/43/487140543.db2.gz ARJWPPOEBHBKCU-UWVGGRQHSA-N 2 2 186.299 0.835 20 0 ACADLP C[C@@H]1CC[C@H](C[N@@H+](C)[C@H](C)C[NH3+])O1 299991661 487140634 /nfs/dbraw/zinc/14/06/34/487140634.db2.gz DJQGQRYFHUBKJH-OPRDCNLKSA-N 2 2 186.299 0.833 20 0 ACADLP C[C@@H]1CC[C@H](C[N@H+](C)[C@H](C)C[NH3+])O1 299991661 487140638 /nfs/dbraw/zinc/14/06/38/487140638.db2.gz DJQGQRYFHUBKJH-OPRDCNLKSA-N 2 2 186.299 0.833 20 0 ACADLP C[C@@H]1OCC[C@@H]1[NH2+]C[C@H]1CCCC[NH2+]1 300055934 487141316 /nfs/dbraw/zinc/14/13/16/487141316.db2.gz JVGZACGMSPGRNV-AXFHLTTASA-N 2 2 198.310 0.896 20 0 ACADLP CC(C)OCC[N@H+]1C[C@@H]([NH3+])[C@H](C)C1 300048198 487141417 /nfs/dbraw/zinc/14/14/17/487141417.db2.gz IDZMZVZGRVDPSP-NXEZZACHSA-N 2 2 186.299 0.690 20 0 ACADLP CC(C)OCC[N@@H+]1C[C@@H]([NH3+])[C@H](C)C1 300048198 487141421 /nfs/dbraw/zinc/14/14/21/487141421.db2.gz IDZMZVZGRVDPSP-NXEZZACHSA-N 2 2 186.299 0.690 20 0 ACADLP C[C@@H]1OCC[C@H]1[NH2+]C[C@H]1CCCC[NH2+]1 300055935 487142108 /nfs/dbraw/zinc/14/21/08/487142108.db2.gz JVGZACGMSPGRNV-HBNTYKKESA-N 2 2 198.310 0.896 20 0 ACADLP CN(CC[NH+](C)C)Cc1c[nH+]cn1C 685452057 487144520 /nfs/dbraw/zinc/14/45/20/487144520.db2.gz MKHLRFFKCQLLIO-UHFFFAOYSA-N 2 2 196.298 0.414 20 0 ACADLP C[C@@H]([NH3+])CC(=O)Nc1cc[nH+]cc1O 306340296 487153829 /nfs/dbraw/zinc/15/38/29/487153829.db2.gz WFLVPKAGACEKRK-ZCFIWIBFSA-N 2 2 195.222 0.463 20 0 ACADLP CC1(C[N@@H+]2CCO[C@H](C[NH3+])C2)CC1 306476977 487157496 /nfs/dbraw/zinc/15/74/96/487157496.db2.gz ZKIAAMFUFUDBPQ-SECBINFHSA-N 2 2 184.283 0.446 20 0 ACADLP CC1(C[N@H+]2CCO[C@H](C[NH3+])C2)CC1 306476977 487157499 /nfs/dbraw/zinc/15/74/99/487157499.db2.gz ZKIAAMFUFUDBPQ-SECBINFHSA-N 2 2 184.283 0.446 20 0 ACADLP CC1(C[N@@H+]2CCO[C@@H](C[NH3+])C2)CC1 306476979 487157905 /nfs/dbraw/zinc/15/79/05/487157905.db2.gz ZKIAAMFUFUDBPQ-VIFPVBQESA-N 2 2 184.283 0.446 20 0 ACADLP CC1(C[N@H+]2CCO[C@@H](C[NH3+])C2)CC1 306476979 487157911 /nfs/dbraw/zinc/15/79/11/487157911.db2.gz ZKIAAMFUFUDBPQ-VIFPVBQESA-N 2 2 184.283 0.446 20 0 ACADLP C[C@H]([NH3+])C[N@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 307192362 487176035 /nfs/dbraw/zinc/17/60/35/487176035.db2.gz LRDAXKDANXDSJX-DJLDLDEBSA-N 3 2 171.288 0.003 20 0 ACADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[NH2+]C2)[C@@H](C)O1 306672013 487164270 /nfs/dbraw/zinc/16/42/70/487164270.db2.gz ZTCWGECHNVHBOT-DBIOUOCHSA-N 2 2 198.310 0.894 20 0 ACADLP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[NH2+]C2)[C@@H](C)O1 306672016 487164294 /nfs/dbraw/zinc/16/42/94/487164294.db2.gz ZTCWGECHNVHBOT-ZNSHCXBVSA-N 2 2 198.310 0.894 20 0 ACADLP C[C@@H]1O[C@H](C)C[C@@H]1[NH2+][C@@H]1CCC[NH2+]C1 306672015 487164326 /nfs/dbraw/zinc/16/43/26/487164326.db2.gz ZTCWGECHNVHBOT-YTWAJWBKSA-N 2 2 198.310 0.894 20 0 ACADLP C[C@@H]1O[C@H](C)C[C@@H]1[NH2+][C@H]1CCC[NH2+]C1 306672014 487164666 /nfs/dbraw/zinc/16/46/66/487164666.db2.gz ZTCWGECHNVHBOT-RCWTZXSCSA-N 2 2 198.310 0.894 20 0 ACADLP C[C@@H]([NH3+])CC(=O)Nc1ccc(N)[nH+]c1 306994478 487170952 /nfs/dbraw/zinc/17/09/52/487170952.db2.gz NPNHKETYCTYXFV-ZCFIWIBFSA-N 2 2 194.238 0.340 20 0 ACADLP C[C@H](C[NH3+])C(=O)Nc1ccc(N)[nH+]c1 307187887 487175268 /nfs/dbraw/zinc/17/52/68/487175268.db2.gz WOYFORKKWFJSLX-ZCFIWIBFSA-N 2 2 194.238 0.197 20 0 ACADLP C[C@@H](C[NH3+])C(=O)Nc1ccc(N)[nH+]c1 307187886 487175622 /nfs/dbraw/zinc/17/56/22/487175622.db2.gz WOYFORKKWFJSLX-LURJTMIESA-N 2 2 194.238 0.197 20 0 ACADLP C[C@H]([NH3+])C[N@@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 307192362 487176033 /nfs/dbraw/zinc/17/60/33/487176033.db2.gz LRDAXKDANXDSJX-DJLDLDEBSA-N 3 2 171.288 0.003 20 0 ACADLP C[C@H]([NH3+])C[N@@H+]1CC[C@H]([C@@H](C)[NH3+])C1 307192364 487176149 /nfs/dbraw/zinc/17/61/49/487176149.db2.gz LRDAXKDANXDSJX-YIZRAAEISA-N 3 2 171.288 0.003 20 0 ACADLP C[C@H]([NH3+])C[N@H+]1CC[C@H]([C@@H](C)[NH3+])C1 307192364 487176152 /nfs/dbraw/zinc/17/61/52/487176152.db2.gz LRDAXKDANXDSJX-YIZRAAEISA-N 3 2 171.288 0.003 20 0 ACADLP C[C@H]([NH3+])C[N@@H+]1CC[C@@H]([C@H](C)[NH3+])C1 307192363 487176160 /nfs/dbraw/zinc/17/61/60/487176160.db2.gz LRDAXKDANXDSJX-XHNCKOQMSA-N 3 2 171.288 0.003 20 0 ACADLP C[C@H]([NH3+])C[N@H+]1CC[C@@H]([C@H](C)[NH3+])C1 307192363 487176162 /nfs/dbraw/zinc/17/61/62/487176162.db2.gz LRDAXKDANXDSJX-XHNCKOQMSA-N 3 2 171.288 0.003 20 0 ACADLP C[C@H]([NH3+])C[N@@H+]1CC[C@H]([C@H](C)[NH3+])C1 307192361 487176354 /nfs/dbraw/zinc/17/63/54/487176354.db2.gz LRDAXKDANXDSJX-CIUDSAMLSA-N 3 2 171.288 0.003 20 0 ACADLP C[C@H]([NH3+])C[N@H+]1CC[C@H]([C@H](C)[NH3+])C1 307192361 487176359 /nfs/dbraw/zinc/17/63/59/487176359.db2.gz LRDAXKDANXDSJX-CIUDSAMLSA-N 3 2 171.288 0.003 20 0 ACADLP Cc1nocc1C[NH+]1CCC([NH3+])CC1 307336952 487179297 /nfs/dbraw/zinc/17/92/97/487179297.db2.gz FRQZNGLNQQLZRE-UHFFFAOYSA-N 2 2 195.266 0.906 20 0 ACADLP C[C@@H]1CC[C@@H](C[NH2+][C@H]2CC[NH2+]C2)O1 307460128 487181759 /nfs/dbraw/zinc/18/17/59/487181759.db2.gz FDEKMFNSMGHIGS-UTLUCORTSA-N 2 2 184.283 0.505 20 0 ACADLP C[C@@H]1CC[C@H](C[NH2+][C@@H]2CC[NH2+]C2)O1 307460127 487181840 /nfs/dbraw/zinc/18/18/40/487181840.db2.gz FDEKMFNSMGHIGS-OPRDCNLKSA-N 2 2 184.283 0.505 20 0 ACADLP C[C@@H]1CC[C@H](C[NH2+][C@H]2CC[NH2+]C2)O1 307460126 487181889 /nfs/dbraw/zinc/18/18/89/487181889.db2.gz FDEKMFNSMGHIGS-KXUCPTDWSA-N 2 2 184.283 0.505 20 0 ACADLP C[C@@H]1CC[C@@H](C[NH2+][C@@H]2CC[NH2+]C2)O1 307460125 487181914 /nfs/dbraw/zinc/18/19/14/487181914.db2.gz FDEKMFNSMGHIGS-BBBLOLIVSA-N 2 2 184.283 0.505 20 0 ACADLP C[C@H]([NH3+])C[N@@H+]1C[C@@H](C[NH3+])C[C@@H]1C 307694630 487188200 /nfs/dbraw/zinc/18/82/00/487188200.db2.gz XMBODBNNCGHMBA-XHNCKOQMSA-N 3 2 171.288 0.003 20 0 ACADLP C[C@H]([NH3+])C[N@H+]1C[C@@H](C[NH3+])C[C@@H]1C 307694630 487188204 /nfs/dbraw/zinc/18/82/04/487188204.db2.gz XMBODBNNCGHMBA-XHNCKOQMSA-N 3 2 171.288 0.003 20 0 ACADLP C[C@@H]1C[C@@H]1CN1CC[N@H+](C)C[C@@H]1C[NH3+] 307698079 487188223 /nfs/dbraw/zinc/18/82/23/487188223.db2.gz MNSVMSXZEDNJEY-MXWKQRLJSA-N 2 2 197.326 0.217 20 0 ACADLP C[C@@H]1C[C@@H]1CN1CC[N@@H+](C)C[C@@H]1C[NH3+] 307698079 487188225 /nfs/dbraw/zinc/18/82/25/487188225.db2.gz MNSVMSXZEDNJEY-MXWKQRLJSA-N 2 2 197.326 0.217 20 0 ACADLP C[C@@H]1C[C@@H]1C[N@@H+]1CCN(C)C[C@@H]1C[NH3+] 307698079 487188228 /nfs/dbraw/zinc/18/82/28/487188228.db2.gz MNSVMSXZEDNJEY-MXWKQRLJSA-N 2 2 197.326 0.217 20 0 ACADLP C[C@@H]1C[C@@H]1C[N@H+]1CCN(C)C[C@@H]1C[NH3+] 307698079 487188232 /nfs/dbraw/zinc/18/82/32/487188232.db2.gz MNSVMSXZEDNJEY-MXWKQRLJSA-N 2 2 197.326 0.217 20 0 ACADLP C[C@H]([NH3+])C[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C 307694629 487188316 /nfs/dbraw/zinc/18/83/16/487188316.db2.gz XMBODBNNCGHMBA-DJLDLDEBSA-N 3 2 171.288 0.003 20 0 ACADLP C[C@H]([NH3+])C[N@H+]1C[C@@H](C[NH3+])C[C@H]1C 307694629 487188318 /nfs/dbraw/zinc/18/83/18/487188318.db2.gz XMBODBNNCGHMBA-DJLDLDEBSA-N 3 2 171.288 0.003 20 0 ACADLP C[C@@H]1C[C@H]1CN1CC[N@H+](C)C[C@H]1C[NH3+] 307698080 487188364 /nfs/dbraw/zinc/18/83/64/487188364.db2.gz MNSVMSXZEDNJEY-OUAUKWLOSA-N 2 2 197.326 0.217 20 0 ACADLP C[C@@H]1C[C@H]1CN1CC[N@@H+](C)C[C@H]1C[NH3+] 307698080 487188367 /nfs/dbraw/zinc/18/83/67/487188367.db2.gz MNSVMSXZEDNJEY-OUAUKWLOSA-N 2 2 197.326 0.217 20 0 ACADLP C[C@@H]1C[C@H]1C[N@@H+]1CCN(C)C[C@H]1C[NH3+] 307698080 487188369 /nfs/dbraw/zinc/18/83/69/487188369.db2.gz MNSVMSXZEDNJEY-OUAUKWLOSA-N 2 2 197.326 0.217 20 0 ACADLP C[C@@H]1C[C@H]1C[N@H+]1CCN(C)C[C@H]1C[NH3+] 307698080 487188373 /nfs/dbraw/zinc/18/83/73/487188373.db2.gz MNSVMSXZEDNJEY-OUAUKWLOSA-N 2 2 197.326 0.217 20 0 ACADLP C[C@H]([NH3+])C[N@@H+]1C[C@H](C[NH3+])C[C@@H]1C 307694628 487188455 /nfs/dbraw/zinc/18/84/55/487188455.db2.gz XMBODBNNCGHMBA-CIUDSAMLSA-N 3 2 171.288 0.003 20 0 ACADLP C[C@H]([NH3+])C[N@H+]1C[C@H](C[NH3+])C[C@@H]1C 307694628 487188458 /nfs/dbraw/zinc/18/84/58/487188458.db2.gz XMBODBNNCGHMBA-CIUDSAMLSA-N 3 2 171.288 0.003 20 0 ACADLP C[C@@H]1C[C@H]1CN1CC[N@H+](C)C[C@@H]1C[NH3+] 307698081 487188477 /nfs/dbraw/zinc/18/84/77/487188477.db2.gz MNSVMSXZEDNJEY-VWYCJHECSA-N 2 2 197.326 0.217 20 0 ACADLP C[C@@H]1C[C@H]1CN1CC[N@@H+](C)C[C@@H]1C[NH3+] 307698081 487188481 /nfs/dbraw/zinc/18/84/81/487188481.db2.gz MNSVMSXZEDNJEY-VWYCJHECSA-N 2 2 197.326 0.217 20 0 ACADLP C[C@@H]1C[C@H]1C[N@@H+]1CCN(C)C[C@@H]1C[NH3+] 307698081 487188484 /nfs/dbraw/zinc/18/84/84/487188484.db2.gz MNSVMSXZEDNJEY-VWYCJHECSA-N 2 2 197.326 0.217 20 0 ACADLP C[C@@H]1C[C@H]1C[N@H+]1CCN(C)C[C@@H]1C[NH3+] 307698081 487188487 /nfs/dbraw/zinc/18/84/87/487188487.db2.gz MNSVMSXZEDNJEY-VWYCJHECSA-N 2 2 197.326 0.217 20 0 ACADLP C[C@@H]1C[C@@H]1CN1CC[N@H+](C)C[C@H]1C[NH3+] 307698078 487188504 /nfs/dbraw/zinc/18/85/04/487188504.db2.gz MNSVMSXZEDNJEY-GMTAPVOTSA-N 2 2 197.326 0.217 20 0 ACADLP C[C@@H]1C[C@@H]1CN1CC[N@@H+](C)C[C@H]1C[NH3+] 307698078 487188507 /nfs/dbraw/zinc/18/85/07/487188507.db2.gz MNSVMSXZEDNJEY-GMTAPVOTSA-N 2 2 197.326 0.217 20 0 ACADLP C[C@@H]1C[C@@H]1C[N@@H+]1CCN(C)C[C@H]1C[NH3+] 307698078 487188510 /nfs/dbraw/zinc/18/85/10/487188510.db2.gz MNSVMSXZEDNJEY-GMTAPVOTSA-N 2 2 197.326 0.217 20 0 ACADLP C[C@@H]1C[C@@H]1C[N@H+]1CCN(C)C[C@H]1C[NH3+] 307698078 487188511 /nfs/dbraw/zinc/18/85/11/487188511.db2.gz MNSVMSXZEDNJEY-GMTAPVOTSA-N 2 2 197.326 0.217 20 0 ACADLP C[C@H]([NH3+])C[N@@H+]1C[C@H](C[NH3+])C[C@H]1C 307694631 487188545 /nfs/dbraw/zinc/18/85/45/487188545.db2.gz XMBODBNNCGHMBA-YIZRAAEISA-N 3 2 171.288 0.003 20 0 ACADLP C[C@H]([NH3+])C[N@H+]1C[C@H](C[NH3+])C[C@H]1C 307694631 487188547 /nfs/dbraw/zinc/18/85/47/487188547.db2.gz XMBODBNNCGHMBA-YIZRAAEISA-N 3 2 171.288 0.003 20 0 ACADLP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1C[C@@H]1CC[NH2+]C1 307702731 487188862 /nfs/dbraw/zinc/18/88/62/487188862.db2.gz URZBOYADVJXESU-MXWKQRLJSA-N 3 2 197.326 0.408 20 0 ACADLP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1C[C@@H]1CC[NH2+]C1 307702731 487188865 /nfs/dbraw/zinc/18/88/65/487188865.db2.gz URZBOYADVJXESU-MXWKQRLJSA-N 3 2 197.326 0.408 20 0 ACADLP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1C[C@@H]1CC[NH2+]C1 307702730 487188948 /nfs/dbraw/zinc/18/89/48/487188948.db2.gz URZBOYADVJXESU-GMTAPVOTSA-N 3 2 197.326 0.408 20 0 ACADLP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1C[C@@H]1CC[NH2+]C1 307702730 487188953 /nfs/dbraw/zinc/18/89/53/487188953.db2.gz URZBOYADVJXESU-GMTAPVOTSA-N 3 2 197.326 0.408 20 0 ACADLP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1C[C@H]1CC[NH2+]C1 307702733 487188960 /nfs/dbraw/zinc/18/89/60/487188960.db2.gz URZBOYADVJXESU-OUAUKWLOSA-N 3 2 197.326 0.408 20 0 ACADLP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1C[C@H]1CC[NH2+]C1 307702733 487188964 /nfs/dbraw/zinc/18/89/64/487188964.db2.gz URZBOYADVJXESU-OUAUKWLOSA-N 3 2 197.326 0.408 20 0 ACADLP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1C[C@H]1CC[NH2+]C1 307702734 487189018 /nfs/dbraw/zinc/18/90/18/487189018.db2.gz URZBOYADVJXESU-VWYCJHECSA-N 3 2 197.326 0.408 20 0 ACADLP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1C[C@H]1CC[NH2+]C1 307702734 487189021 /nfs/dbraw/zinc/18/90/21/487189021.db2.gz URZBOYADVJXESU-VWYCJHECSA-N 3 2 197.326 0.408 20 0 ACADLP C[NH+](C)CC(C)(C)[NH2+]CCCO 308633225 487205150 /nfs/dbraw/zinc/20/51/50/487205150.db2.gz VRCFBKZPLYYJFP-UHFFFAOYSA-N 2 2 174.288 0.299 20 0 ACADLP COCCC[NH2+]C(C)(C)C[NH+](C)C 308639093 487205831 /nfs/dbraw/zinc/20/58/31/487205831.db2.gz YVNQOHNCYQOJNN-UHFFFAOYSA-N 2 2 188.315 0.953 20 0 ACADLP C[C@H](O)CC[NH2+]C(C)(C)C[NH+](C)C 308636243 487205915 /nfs/dbraw/zinc/20/59/15/487205915.db2.gz MFIHQTPZZCOOBO-VIFPVBQESA-N 2 2 188.315 0.687 20 0 ACADLP C[C@@H](O)CC[NH2+]C(C)(C)C[NH+](C)C 308636242 487206304 /nfs/dbraw/zinc/20/63/04/487206304.db2.gz MFIHQTPZZCOOBO-SECBINFHSA-N 2 2 188.315 0.687 20 0 ACADLP Cn1c[nH+]cc1CCC[N@H+](C)CC[NH3+] 315127842 487208527 /nfs/dbraw/zinc/20/85/27/487208527.db2.gz UGXWZOCJKZSZDB-UHFFFAOYSA-N 3 2 196.298 0.243 20 0 ACADLP Cn1c[nH+]cc1CCC[N@@H+](C)CC[NH3+] 315127842 487208534 /nfs/dbraw/zinc/20/85/34/487208534.db2.gz UGXWZOCJKZSZDB-UHFFFAOYSA-N 3 2 196.298 0.243 20 0 ACADLP CCC[N@@H+]1CC[C@H]([NH2+][C@H]2CCOC2)C1 328459786 487226955 /nfs/dbraw/zinc/22/69/55/487226955.db2.gz GTSHJLXUEJDFRO-QWRGUYRKSA-N 2 2 198.310 0.849 20 0 ACADLP CCC[N@H+]1CC[C@H]([NH2+][C@H]2CCOC2)C1 328459786 487226958 /nfs/dbraw/zinc/22/69/58/487226958.db2.gz GTSHJLXUEJDFRO-QWRGUYRKSA-N 2 2 198.310 0.849 20 0 ACADLP CCC[N@@H+]1CC[C@@H]([NH2+]C[C@H](C)O)C1 328155365 487226989 /nfs/dbraw/zinc/22/69/89/487226989.db2.gz FSAISTVUMVNHRF-VHSXEESVSA-N 2 2 186.299 0.441 20 0 ACADLP CCC[N@H+]1CC[C@@H]([NH2+]C[C@H](C)O)C1 328155365 487226993 /nfs/dbraw/zinc/22/69/93/487226993.db2.gz FSAISTVUMVNHRF-VHSXEESVSA-N 2 2 186.299 0.441 20 0 ACADLP CCC[N@@H+]1CC[C@@H]([NH2+][C@@H]2CCOC2)C1 328459784 487227143 /nfs/dbraw/zinc/22/71/43/487227143.db2.gz GTSHJLXUEJDFRO-GHMZBOCLSA-N 2 2 198.310 0.849 20 0 ACADLP CCC[N@H+]1CC[C@@H]([NH2+][C@@H]2CCOC2)C1 328459784 487227147 /nfs/dbraw/zinc/22/71/47/487227147.db2.gz GTSHJLXUEJDFRO-GHMZBOCLSA-N 2 2 198.310 0.849 20 0 ACADLP CCC[N@@H+]1CC[C@@H]([NH2+]C[C@@H](C)O)C1 328155363 487227217 /nfs/dbraw/zinc/22/72/17/487227217.db2.gz FSAISTVUMVNHRF-NXEZZACHSA-N 2 2 186.299 0.441 20 0 ACADLP CCC[N@H+]1CC[C@@H]([NH2+]C[C@@H](C)O)C1 328155363 487227219 /nfs/dbraw/zinc/22/72/19/487227219.db2.gz FSAISTVUMVNHRF-NXEZZACHSA-N 2 2 186.299 0.441 20 0 ACADLP CCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCOC2)C1 328459787 487227237 /nfs/dbraw/zinc/22/72/37/487227237.db2.gz GTSHJLXUEJDFRO-WDEREUQCSA-N 2 2 198.310 0.849 20 0 ACADLP CCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCOC2)C1 328459787 487227239 /nfs/dbraw/zinc/22/72/39/487227239.db2.gz GTSHJLXUEJDFRO-WDEREUQCSA-N 2 2 198.310 0.849 20 0 ACADLP CCC[N@@H+]1CC[C@H]([NH2+]C[C@@H](C)O)C1 328155366 487227295 /nfs/dbraw/zinc/22/72/95/487227295.db2.gz FSAISTVUMVNHRF-ZJUUUORDSA-N 2 2 186.299 0.441 20 0 ACADLP CCC[N@H+]1CC[C@H]([NH2+]C[C@@H](C)O)C1 328155366 487227298 /nfs/dbraw/zinc/22/72/98/487227298.db2.gz FSAISTVUMVNHRF-ZJUUUORDSA-N 2 2 186.299 0.441 20 0 ACADLP CCC[N@H+]1CC[C@@H]([NH2+][C@H]2CCOC2)C1 328459785 487227500 /nfs/dbraw/zinc/22/75/00/487227500.db2.gz GTSHJLXUEJDFRO-MNOVXSKESA-N 2 2 198.310 0.849 20 0 ACADLP CCC[N@@H+]1CC[C@@H]([NH2+][C@H]2CCOC2)C1 328459785 487227498 /nfs/dbraw/zinc/22/74/98/487227498.db2.gz GTSHJLXUEJDFRO-MNOVXSKESA-N 2 2 198.310 0.849 20 0 ACADLP CCC[N@@H+]1CC[C@H]([NH2+]C[C@H](C)O)C1 328155364 487227532 /nfs/dbraw/zinc/22/75/32/487227532.db2.gz FSAISTVUMVNHRF-UWVGGRQHSA-N 2 2 186.299 0.441 20 0 ACADLP CCC[N@H+]1CC[C@H]([NH2+]C[C@H](C)O)C1 328155364 487227533 /nfs/dbraw/zinc/22/75/33/487227533.db2.gz FSAISTVUMVNHRF-UWVGGRQHSA-N 2 2 186.299 0.441 20 0 ACADLP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCC1 379343185 487239101 /nfs/dbraw/zinc/23/91/01/487239101.db2.gz JIEANJDBZWGDHG-JTQLQIEISA-N 2 2 186.299 0.393 20 0 ACADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCC1 379343185 487239102 /nfs/dbraw/zinc/23/91/02/487239102.db2.gz JIEANJDBZWGDHG-JTQLQIEISA-N 2 2 186.299 0.393 20 0 ACADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCC1 379343186 487239165 /nfs/dbraw/zinc/23/91/65/487239165.db2.gz JIEANJDBZWGDHG-SNVBAGLBSA-N 2 2 186.299 0.393 20 0 ACADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCC1 379343186 487239168 /nfs/dbraw/zinc/23/91/68/487239168.db2.gz JIEANJDBZWGDHG-SNVBAGLBSA-N 2 2 186.299 0.393 20 0 ACADLP CC(C)[N@H+](C)C[C@H](O)Cn1cc[nH+]c1 379543783 487245141 /nfs/dbraw/zinc/24/51/41/487245141.db2.gz TUKCWXQLNOBDAR-JTQLQIEISA-N 2 2 197.282 0.584 20 0 ACADLP CC(C)[N@@H+](C)C[C@H](O)Cn1cc[nH+]c1 379543783 487245144 /nfs/dbraw/zinc/24/51/44/487245144.db2.gz TUKCWXQLNOBDAR-JTQLQIEISA-N 2 2 197.282 0.584 20 0 ACADLP CC(C)[N@H+](C)C[C@@H](O)Cn1cc[nH+]c1 379543784 487245221 /nfs/dbraw/zinc/24/52/21/487245221.db2.gz TUKCWXQLNOBDAR-SNVBAGLBSA-N 2 2 197.282 0.584 20 0 ACADLP CC(C)[N@@H+](C)C[C@@H](O)Cn1cc[nH+]c1 379543784 487245224 /nfs/dbraw/zinc/24/52/24/487245224.db2.gz TUKCWXQLNOBDAR-SNVBAGLBSA-N 2 2 197.282 0.584 20 0 ACADLP C[C@H](C[NH3+])[NH2+]Cc1cccc(O)c1 383941164 487252175 /nfs/dbraw/zinc/25/21/75/487252175.db2.gz LTMPCYMQPWVEBR-MRVPVSSYSA-N 2 2 180.251 0.829 20 0 ACADLP CCn1cc[nH+]c1CN[C@H]1CC[NH2+]C1 385553136 487255583 /nfs/dbraw/zinc/25/55/83/487255583.db2.gz XGGQAKDTRDQHQW-VIFPVBQESA-N 2 2 194.282 0.355 20 0 ACADLP COC[C@@H]([NH2+][C@H]1CC[NH2+]C1)C1CC1 397234409 487276368 /nfs/dbraw/zinc/27/63/68/487276368.db2.gz ICLPNQHNTSGIAH-VHSXEESVSA-N 2 2 184.283 0.363 20 0 ACADLP COC[C@H]([NH2+][C@H]1CC[NH2+]C1)C1CC1 397234406 487277004 /nfs/dbraw/zinc/27/70/04/487277004.db2.gz ICLPNQHNTSGIAH-UWVGGRQHSA-N 2 2 184.283 0.363 20 0 ACADLP C[C@@H]1OCC[C@@H]1[NH2+]CC1([NH+](C)C)CC1 397939974 487281293 /nfs/dbraw/zinc/28/12/93/487281293.db2.gz PSBHBDQFXAPURK-UWVGGRQHSA-N 2 2 198.310 0.848 20 0 ACADLP COC1CC([NH2+]CC2([NH+](C)C)CC2)C1 397940429 487281356 /nfs/dbraw/zinc/28/13/56/487281356.db2.gz PWYVLJLRAYZOPG-UHFFFAOYSA-N 2 2 198.310 0.848 20 0 ACADLP COC[C@H](C)[NH2+]CC1([NH+](C)C)CC1 397912836 487281497 /nfs/dbraw/zinc/28/14/97/487281497.db2.gz CGIBGSGPSAIJCB-VIFPVBQESA-N 2 2 186.299 0.705 20 0 ACADLP C[C@H]1OCC[C@H]1[NH2+]CC1([NH+](C)C)CC1 397939972 487281501 /nfs/dbraw/zinc/28/15/01/487281501.db2.gz PSBHBDQFXAPURK-NXEZZACHSA-N 2 2 198.310 0.848 20 0 ACADLP C[C@H]1OCC[C@@H]1[NH2+]CC1([NH+](C)C)CC1 397939981 487281662 /nfs/dbraw/zinc/28/16/62/487281662.db2.gz PSBHBDQFXAPURK-ZJUUUORDSA-N 2 2 198.310 0.848 20 0 ACADLP C[C@@H]1OCC[C@H]1[NH2+]CC1([NH+](C)C)CC1 397939978 487281929 /nfs/dbraw/zinc/28/19/29/487281929.db2.gz PSBHBDQFXAPURK-VHSXEESVSA-N 2 2 198.310 0.848 20 0 ACADLP COC[C@@H](C)[NH2+]CC1([NH+](C)C)CC1 397912835 487281955 /nfs/dbraw/zinc/28/19/55/487281955.db2.gz CGIBGSGPSAIJCB-SECBINFHSA-N 2 2 186.299 0.705 20 0 ACADLP Cc1nocc1C[N@H+](C)CCC[NH3+] 402504702 487290009 /nfs/dbraw/zinc/29/00/09/487290009.db2.gz AISZKGVFONLYKC-UHFFFAOYSA-N 2 2 183.255 0.764 20 0 ACADLP Cc1nocc1C[N@@H+](C)CCC[NH3+] 402504702 487290013 /nfs/dbraw/zinc/29/00/13/487290013.db2.gz AISZKGVFONLYKC-UHFFFAOYSA-N 2 2 183.255 0.764 20 0 ACADLP CC[NH2+]CC[NH2+]Cc1ccc(N)nc1 647546359 487311214 /nfs/dbraw/zinc/31/12/14/487311214.db2.gz HJLVEOJBELFDSG-UHFFFAOYSA-N 2 2 194.282 0.363 20 0 ACADLP CC[NH2+]CC[NH2+][C@H]1CCO[C@@H]1C 666781560 487338012 /nfs/dbraw/zinc/33/80/12/487338012.db2.gz RYIRWGHCSQFJHS-BDAKNGLRSA-N 2 2 172.272 0.363 20 0 ACADLP CC(C)C[C@@H]([NH3+])C[N@@H+]1CC[C@H](O)C1 666621584 487330894 /nfs/dbraw/zinc/33/08/94/487330894.db2.gz KYOGVGUNBRVRLH-ZJUUUORDSA-N 2 2 186.299 0.426 20 0 ACADLP CC(C)C[C@@H]([NH3+])C[N@H+]1CC[C@H](O)C1 666621584 487330897 /nfs/dbraw/zinc/33/08/97/487330897.db2.gz KYOGVGUNBRVRLH-ZJUUUORDSA-N 2 2 186.299 0.426 20 0 ACADLP CC(C)C[C@H]([NH3+])C[N@@H+]1CC[C@H](O)C1 666621583 487330946 /nfs/dbraw/zinc/33/09/46/487330946.db2.gz KYOGVGUNBRVRLH-UWVGGRQHSA-N 2 2 186.299 0.426 20 0 ACADLP CC(C)C[C@H]([NH3+])C[N@H+]1CC[C@H](O)C1 666621583 487330949 /nfs/dbraw/zinc/33/09/49/487330949.db2.gz KYOGVGUNBRVRLH-UWVGGRQHSA-N 2 2 186.299 0.426 20 0 ACADLP CC(C)C[C@@H]([NH3+])C[N@@H+]1CC[C@@H](O)C1 666617820 487331079 /nfs/dbraw/zinc/33/10/79/487331079.db2.gz KYOGVGUNBRVRLH-NXEZZACHSA-N 2 2 186.299 0.426 20 0 ACADLP CC(C)C[C@@H]([NH3+])C[N@H+]1CC[C@@H](O)C1 666617820 487331085 /nfs/dbraw/zinc/33/10/85/487331085.db2.gz KYOGVGUNBRVRLH-NXEZZACHSA-N 2 2 186.299 0.426 20 0 ACADLP CC(C)C[C@H]([NH3+])C[N@@H+]1CC[C@@H](O)C1 666617821 487331157 /nfs/dbraw/zinc/33/11/57/487331157.db2.gz KYOGVGUNBRVRLH-VHSXEESVSA-N 2 2 186.299 0.426 20 0 ACADLP CC(C)C[C@H]([NH3+])C[N@H+]1CC[C@@H](O)C1 666617821 487331161 /nfs/dbraw/zinc/33/11/61/487331161.db2.gz KYOGVGUNBRVRLH-VHSXEESVSA-N 2 2 186.299 0.426 20 0 ACADLP CCC[C@@H]1C[N@H+](CCC[NH3+])CCO1 666643033 487332239 /nfs/dbraw/zinc/33/22/39/487332239.db2.gz ZHZVOOZGQQWPEM-SNVBAGLBSA-N 2 2 186.299 0.836 20 0 ACADLP CCC[C@@H]1C[N@@H+](CCC[NH3+])CCO1 666643033 487332242 /nfs/dbraw/zinc/33/22/42/487332242.db2.gz ZHZVOOZGQQWPEM-SNVBAGLBSA-N 2 2 186.299 0.836 20 0 ACADLP CCC[C@H]1C[N@H+](CCC[NH3+])CCO1 666643032 487332497 /nfs/dbraw/zinc/33/24/97/487332497.db2.gz ZHZVOOZGQQWPEM-JTQLQIEISA-N 2 2 186.299 0.836 20 0 ACADLP CCC[C@H]1C[N@@H+](CCC[NH3+])CCO1 666643032 487332499 /nfs/dbraw/zinc/33/24/99/487332499.db2.gz ZHZVOOZGQQWPEM-JTQLQIEISA-N 2 2 186.299 0.836 20 0 ACADLP Cc1cn[nH]c1C[NH2+]C[C@@H]([NH3+])C(C)C 666741253 487333288 /nfs/dbraw/zinc/33/32/88/487333288.db2.gz FBOKAHNTBRGQNW-SECBINFHSA-N 2 2 196.298 0.791 20 0 ACADLP Cc1c[nH]nc1C[NH2+]C[C@@H]([NH3+])C(C)C 666741253 487333290 /nfs/dbraw/zinc/33/32/90/487333290.db2.gz FBOKAHNTBRGQNW-SECBINFHSA-N 2 2 196.298 0.791 20 0 ACADLP Cc1n[nH]cc1C[NH2+]C[C@@H]([NH3+])C(C)C 666741076 487333513 /nfs/dbraw/zinc/33/35/13/487333513.db2.gz CTLSODWGIHMUSS-SNVBAGLBSA-N 2 2 196.298 0.791 20 0 ACADLP Cc1cn[nH]c1C[NH2+]C[C@H]([NH3+])C(C)C 666741256 487333601 /nfs/dbraw/zinc/33/36/01/487333601.db2.gz FBOKAHNTBRGQNW-VIFPVBQESA-N 2 2 196.298 0.791 20 0 ACADLP Cc1c[nH]nc1C[NH2+]C[C@H]([NH3+])C(C)C 666741256 487333604 /nfs/dbraw/zinc/33/36/04/487333604.db2.gz FBOKAHNTBRGQNW-VIFPVBQESA-N 2 2 196.298 0.791 20 0 ACADLP Cc1n[nH]cc1C[NH2+]C[C@H]([NH3+])C(C)C 666741075 487333640 /nfs/dbraw/zinc/33/36/40/487333640.db2.gz CTLSODWGIHMUSS-JTQLQIEISA-N 2 2 196.298 0.791 20 0 ACADLP C[NH2+]CC[NH2+]Cc1cccc(O)c1 666777207 487336800 /nfs/dbraw/zinc/33/68/00/487336800.db2.gz RRQVOUJOEHFHIX-UHFFFAOYSA-N 2 2 180.251 0.701 20 0 ACADLP C[NH2+]CC[NH2+][C@H](COC)CC(C)C 666778976 487336844 /nfs/dbraw/zinc/33/68/44/487336844.db2.gz RGHVXDDRJBHODL-JTQLQIEISA-N 2 2 188.315 0.857 20 0 ACADLP CC[C@@H](COC)[NH2+]CC[NH2+]C 666779007 487337140 /nfs/dbraw/zinc/33/71/40/487337140.db2.gz XEQDDAVVTFPKHK-QMMMGPOBSA-N 2 2 160.261 0.220 20 0 ACADLP CC[C@H](COC)[NH2+]CC[NH2+]C 666779000 487337190 /nfs/dbraw/zinc/33/71/90/487337190.db2.gz XEQDDAVVTFPKHK-MRVPVSSYSA-N 2 2 160.261 0.220 20 0 ACADLP C[NH2+]CC[NH2+][C@@H](COC)CC(C)C 666778977 487337446 /nfs/dbraw/zinc/33/74/46/487337446.db2.gz RGHVXDDRJBHODL-SNVBAGLBSA-N 2 2 188.315 0.857 20 0 ACADLP CC[NH2+]CC[NH2+][C@H]1CCO[C@H]1C 666781563 487337830 /nfs/dbraw/zinc/33/78/30/487337830.db2.gz RYIRWGHCSQFJHS-IUCAKERBSA-N 2 2 172.272 0.363 20 0 ACADLP CC[NH2+]CC[NH2+][C@@H](C)COCC 666781474 487337836 /nfs/dbraw/zinc/33/78/36/487337836.db2.gz CVRNFJLWZWIOGK-VIFPVBQESA-N 2 2 174.288 0.611 20 0 ACADLP CC[NH2+]CC[NH2+][C@@H]1CCO[C@H]1C 666781562 487337941 /nfs/dbraw/zinc/33/79/41/487337941.db2.gz RYIRWGHCSQFJHS-DTWKUNHWSA-N 2 2 172.272 0.363 20 0 ACADLP CC[NH2+]CC[NH2+][C@@H]1CCO[C@@H]1C 666781564 487338337 /nfs/dbraw/zinc/33/83/37/487338337.db2.gz RYIRWGHCSQFJHS-RKDXNWHRSA-N 2 2 172.272 0.363 20 0 ACADLP CC[NH2+]CC[NH2+][C@H](C)COCC 666781468 487338360 /nfs/dbraw/zinc/33/83/60/487338360.db2.gz CVRNFJLWZWIOGK-SECBINFHSA-N 2 2 174.288 0.611 20 0 ACADLP CC[NH2+]CC[NH2+][C@@H](CC)COC 666782360 487338917 /nfs/dbraw/zinc/33/89/17/487338917.db2.gz YRIHUKZESFRBGU-VIFPVBQESA-N 2 2 174.288 0.611 20 0 ACADLP [NH3+]CCC[NH2+][C@@H](C[NH3+])C1CCCCC1 666801251 487339316 /nfs/dbraw/zinc/33/93/16/487339316.db2.gz BDDVUAROOQAUPI-NSHDSACASA-N 3 2 199.342 0.832 20 0 ACADLP [NH3+]CCC[NH2+][C@H](C[NH3+])C1CCCCC1 666801250 487339014 /nfs/dbraw/zinc/33/90/14/487339014.db2.gz BDDVUAROOQAUPI-LLVKDONJSA-N 3 2 199.342 0.832 20 0 ACADLP CC[NH2+]CC[NH2+][C@H](C)Cn1cccn1 666782362 487339023 /nfs/dbraw/zinc/33/90/23/487339023.db2.gz ZHZXRXKOSGJGIQ-SNVBAGLBSA-N 2 2 196.298 0.471 20 0 ACADLP CC(C)C[C@H](C[NH3+])[NH2+]Cc1cc[nH]n1 666798847 487339214 /nfs/dbraw/zinc/33/92/14/487339214.db2.gz ICYSJHUWPXVDAV-SNVBAGLBSA-N 2 2 196.298 0.873 20 0 ACADLP CC(C)C[C@@H](C[NH3+])[NH2+]Cc1cc[nH]n1 666798844 487339275 /nfs/dbraw/zinc/33/92/75/487339275.db2.gz ICYSJHUWPXVDAV-JTQLQIEISA-N 2 2 196.298 0.873 20 0 ACADLP CC[NH2+]CC[NH2+][C@H](CC)COC 666782359 487339293 /nfs/dbraw/zinc/33/92/93/487339293.db2.gz YRIHUKZESFRBGU-SECBINFHSA-N 2 2 174.288 0.611 20 0 ACADLP CC[NH2+]CC[NH2+][C@@H](C)Cn1cccn1 666782361 487339299 /nfs/dbraw/zinc/33/92/99/487339299.db2.gz ZHZXRXKOSGJGIQ-JTQLQIEISA-N 2 2 196.298 0.471 20 0 ACADLP CCC[NH2+]CC[NH2+][C@H]1CCO[C@H]1C 666820072 487340736 /nfs/dbraw/zinc/34/07/36/487340736.db2.gz VZTBGRGASCMYIG-UWVGGRQHSA-N 2 2 186.299 0.753 20 0 ACADLP CCC[NH2+]CC[NH2+][C@H]1CCO[C@@H]1C 666820074 487340761 /nfs/dbraw/zinc/34/07/61/487340761.db2.gz VZTBGRGASCMYIG-ZJUUUORDSA-N 2 2 186.299 0.753 20 0 ACADLP CCC[NH2+]CC[NH2+][C@@H]1CCO[C@H]1C 666820073 487340867 /nfs/dbraw/zinc/34/08/67/487340867.db2.gz VZTBGRGASCMYIG-VHSXEESVSA-N 2 2 186.299 0.753 20 0 ACADLP CCC[NH2+]CC[NH2+][C@@H]1CCO[C@@H]1C 666820071 487340956 /nfs/dbraw/zinc/34/09/56/487340956.db2.gz VZTBGRGASCMYIG-NXEZZACHSA-N 2 2 186.299 0.753 20 0 ACADLP C[C@H]1OCC[C@H]1[NH2+][C@H]1CCC[NH2+]C1 666836150 487342477 /nfs/dbraw/zinc/34/24/77/487342477.db2.gz VPUXIWUXJMNUFA-KXUCPTDWSA-N 2 2 184.283 0.505 20 0 ACADLP C[C@H]1OCC[C@@H]1[NH2+][C@H]1CCC[NH2+]C1 666836151 487342559 /nfs/dbraw/zinc/34/25/59/487342559.db2.gz VPUXIWUXJMNUFA-UTLUCORTSA-N 2 2 184.283 0.505 20 0 ACADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+][C@@H]1CCOC1 666860590 487342967 /nfs/dbraw/zinc/34/29/67/487342967.db2.gz MGHAYORIWCTNPX-OPRDCNLKSA-N 2 2 184.283 0.363 20 0 ACADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+][C@H]1CCOC1 666860589 487343083 /nfs/dbraw/zinc/34/30/83/487343083.db2.gz MGHAYORIWCTNPX-KXUCPTDWSA-N 2 2 184.283 0.363 20 0 ACADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+][C@H]1CCOC1 666860591 487343421 /nfs/dbraw/zinc/34/34/21/487343421.db2.gz MGHAYORIWCTNPX-UTLUCORTSA-N 2 2 184.283 0.363 20 0 ACADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+][C@@H]1CCOC1 666860588 487343599 /nfs/dbraw/zinc/34/35/99/487343599.db2.gz MGHAYORIWCTNPX-BBBLOLIVSA-N 2 2 184.283 0.363 20 0 ACADLP CC[NH2+][C@H](C)C[NH2+][C@H](C)COCC 666877412 487345081 /nfs/dbraw/zinc/34/50/81/487345081.db2.gz SAGBMMSWRNDTTD-NXEZZACHSA-N 2 2 188.315 0.999 20 0 ACADLP CC[NH2+][C@H](C)C[NH2+][C@@H](C)COCC 666877413 487345120 /nfs/dbraw/zinc/34/51/20/487345120.db2.gz SAGBMMSWRNDTTD-ZJUUUORDSA-N 2 2 188.315 0.999 20 0 ACADLP CC[NH2+][C@H](C)C[NH2+][C@@H]1CCO[C@H]1C 666877397 487345349 /nfs/dbraw/zinc/34/53/49/487345349.db2.gz LALRWXUAQJTSIO-KXUCPTDWSA-N 2 2 186.299 0.751 20 0 ACADLP CC[NH2+][C@H](C)C[NH2+][C@@H]1CCO[C@@H]1C 666877398 487345407 /nfs/dbraw/zinc/34/54/07/487345407.db2.gz LALRWXUAQJTSIO-OPRDCNLKSA-N 2 2 186.299 0.751 20 0 ACADLP CC[NH2+][C@H](C)C[NH2+][C@H]1CCO[C@@H]1C 666877396 487345583 /nfs/dbraw/zinc/34/55/83/487345583.db2.gz LALRWXUAQJTSIO-BBBLOLIVSA-N 2 2 186.299 0.751 20 0 ACADLP CC[NH2+][C@H](C)C[NH2+][C@H]1CCO[C@H]1C 666877399 487345745 /nfs/dbraw/zinc/34/57/45/487345745.db2.gz LALRWXUAQJTSIO-UTLUCORTSA-N 2 2 186.299 0.751 20 0 ACADLP CC[C@H]([NH3+])C[NH2+][C@H](C)C[C@@H]1CCC[NH2+]1 666911690 487348981 /nfs/dbraw/zinc/34/89/81/487348981.db2.gz UQQLJWKCCGVLMC-VWYCJHECSA-N 3 2 199.342 0.844 20 0 ACADLP CC[C@H]([NH3+])C[NH2+][C@@H](C)C[C@H]1CCC[NH2+]1 666911688 487349053 /nfs/dbraw/zinc/34/90/53/487349053.db2.gz UQQLJWKCCGVLMC-GARJFASQSA-N 3 2 199.342 0.844 20 0 ACADLP CC[C@H]([NH3+])C[NH2+][C@H](C)C[C@H]1CCC[NH2+]1 666911689 487349105 /nfs/dbraw/zinc/34/91/05/487349105.db2.gz UQQLJWKCCGVLMC-OUAUKWLOSA-N 3 2 199.342 0.844 20 0 ACADLP CC[C@H]([NH3+])C[NH2+][C@@H](C)C[C@@H]1CCC[NH2+]1 666911687 487349195 /nfs/dbraw/zinc/34/91/95/487349195.db2.gz UQQLJWKCCGVLMC-DCAQKATOSA-N 3 2 199.342 0.844 20 0 ACADLP FC1(C[NH2+][C@H]2[C@@H]3C[NH2+]C[C@@H]32)CC1 666941271 487349914 /nfs/dbraw/zinc/34/99/14/487349914.db2.gz ZUUHJCFTHNRDTA-JIGDXULJSA-N 2 2 170.231 0.296 20 0 ACADLP CC(C)C[NH2+]C[C@@H]1C[C@H](F)C[NH2+]1 666945600 487350558 /nfs/dbraw/zinc/35/05/58/487350558.db2.gz ZQXDABVCIHEYQL-IUCAKERBSA-N 2 2 174.263 0.932 20 0 ACADLP C[C@H]1C[C@H]1C[NH2+]C[C@@H]1C[C@H](F)C[NH2+]1 666947844 487350567 /nfs/dbraw/zinc/35/05/67/487350567.db2.gz KGVGRMDOCOJWGG-XKNYDFJKSA-N 2 2 186.274 0.932 20 0 ACADLP C[C@@H]1C[C@H]1C[NH2+]C[C@@H]1C[C@H](F)C[NH2+]1 666947843 487350575 /nfs/dbraw/zinc/35/05/75/487350575.db2.gz KGVGRMDOCOJWGG-KATARQTJSA-N 2 2 186.274 0.932 20 0 ACADLP C[C@@H]1C[C@@H]1C[NH2+]C[C@@H]1C[C@H](F)C[NH2+]1 666947841 487350645 /nfs/dbraw/zinc/35/06/45/487350645.db2.gz KGVGRMDOCOJWGG-IMSYWVGJSA-N 2 2 186.274 0.932 20 0 ACADLP F[C@@H]1C[NH2+][C@H](C[NH2+]CC2CC2)C1 666945204 487350662 /nfs/dbraw/zinc/35/06/62/487350662.db2.gz CPEOYPCKLQMSGH-IUCAKERBSA-N 2 2 172.247 0.686 20 0 ACADLP C[C@H]1C[C@@H]1C[NH2+]C[C@@H]1C[C@H](F)C[NH2+]1 666947842 487350665 /nfs/dbraw/zinc/35/06/65/487350665.db2.gz KGVGRMDOCOJWGG-JXUBOQSCSA-N 2 2 186.274 0.932 20 0 ACADLP CC(C)(C)[C@@H](C[NH3+])[NH2+]Cc1cc[nH]n1 666981176 487352031 /nfs/dbraw/zinc/35/20/31/487352031.db2.gz XPYUNUHILWLTKU-SECBINFHSA-N 2 2 196.298 0.873 20 0 ACADLP CC(C)(C)[C@H](C[NH3+])[NH2+]Cc1cc[nH]n1 666981177 487352058 /nfs/dbraw/zinc/35/20/58/487352058.db2.gz XPYUNUHILWLTKU-VIFPVBQESA-N 2 2 196.298 0.873 20 0 ACADLP C[C@@H](CC1CC1)[NH2+]C[C@H]1C[NH2+]CCO1 667037305 487353676 /nfs/dbraw/zinc/35/36/76/487353676.db2.gz ZPZSIRIOOWXYCL-GXSJLCMTSA-N 2 2 198.310 0.753 20 0 ACADLP C[C@@H]1CC[N@H+](CCC[NH3+])C[C@H]1C[NH3+] 667040143 487353035 /nfs/dbraw/zinc/35/30/35/487353035.db2.gz ZWNMGUAAPFTBIY-NXEZZACHSA-N 3 2 185.315 0.252 20 0 ACADLP C[C@@H]1CC[N@@H+](CCC[NH3+])C[C@H]1C[NH3+] 667040143 487353038 /nfs/dbraw/zinc/35/30/38/487353038.db2.gz ZWNMGUAAPFTBIY-NXEZZACHSA-N 3 2 185.315 0.252 20 0 ACADLP C[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1C[NH2+]CCO1 667037274 487353103 /nfs/dbraw/zinc/35/31/03/487353103.db2.gz PLLCSUZFLJQOTA-VWYCJHECSA-N 2 2 198.310 0.753 20 0 ACADLP C[C@H]([NH2+]C[C@@H]1C[NH2+]CCO1)C1CCC1 667038353 487353152 /nfs/dbraw/zinc/35/31/52/487353152.db2.gz KITSQEVUXPPGOQ-ONGXEEELSA-N 2 2 198.310 0.753 20 0 ACADLP C[C@@H]1CCC[C@H]1[NH2+]C[C@H]1C[NH2+]CCO1 667037271 487353215 /nfs/dbraw/zinc/35/32/15/487353215.db2.gz PLLCSUZFLJQOTA-GMTAPVOTSA-N 2 2 198.310 0.753 20 0 ACADLP C[C@@H]([NH2+]C[C@H]1C[NH2+]CCO1)C1CCC1 667038352 487353330 /nfs/dbraw/zinc/35/33/30/487353330.db2.gz KITSQEVUXPPGOQ-MWLCHTKSSA-N 2 2 198.310 0.753 20 0 ACADLP C[C@H]1CC[N@H+](CCC[NH3+])C[C@@H]1C[NH3+] 667040144 487353347 /nfs/dbraw/zinc/35/33/47/487353347.db2.gz ZWNMGUAAPFTBIY-UWVGGRQHSA-N 3 2 185.315 0.252 20 0 ACADLP C[C@H]1CC[N@@H+](CCC[NH3+])C[C@@H]1C[NH3+] 667040144 487353352 /nfs/dbraw/zinc/35/33/52/487353352.db2.gz ZWNMGUAAPFTBIY-UWVGGRQHSA-N 3 2 185.315 0.252 20 0 ACADLP C[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1C[NH2+]CCO1 667037272 487353392 /nfs/dbraw/zinc/35/33/92/487353392.db2.gz PLLCSUZFLJQOTA-MXWKQRLJSA-N 2 2 198.310 0.753 20 0 ACADLP C[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1C[NH2+]CCO1 667037273 487353413 /nfs/dbraw/zinc/35/34/13/487353413.db2.gz PLLCSUZFLJQOTA-OUAUKWLOSA-N 2 2 198.310 0.753 20 0 ACADLP C[C@@H](CC1CC1)[NH2+]C[C@@H]1C[NH2+]CCO1 667037308 487353475 /nfs/dbraw/zinc/35/34/75/487353475.db2.gz ZPZSIRIOOWXYCL-ONGXEEELSA-N 2 2 198.310 0.753 20 0 ACADLP C[C@H](CC1CC1)[NH2+]C[C@H]1C[NH2+]CCO1 667037307 487353529 /nfs/dbraw/zinc/35/35/29/487353529.db2.gz ZPZSIRIOOWXYCL-MWLCHTKSSA-N 2 2 198.310 0.753 20 0 ACADLP C[C@H]([NH2+]C[C@H]1C[NH2+]CCO1)C1CCC1 667038350 487353536 /nfs/dbraw/zinc/35/35/36/487353536.db2.gz KITSQEVUXPPGOQ-GXSJLCMTSA-N 2 2 198.310 0.753 20 0 ACADLP C[C@H]1CC[N@H+](CCC[NH3+])C[C@H]1C[NH3+] 667040145 487353573 /nfs/dbraw/zinc/35/35/73/487353573.db2.gz ZWNMGUAAPFTBIY-VHSXEESVSA-N 3 2 185.315 0.252 20 0 ACADLP C[C@H]1CC[N@@H+](CCC[NH3+])C[C@H]1C[NH3+] 667040145 487353575 /nfs/dbraw/zinc/35/35/75/487353575.db2.gz ZWNMGUAAPFTBIY-VHSXEESVSA-N 3 2 185.315 0.252 20 0 ACADLP C[C@H](CC1CC1)[NH2+]C[C@@H]1C[NH2+]CCO1 667037306 487353583 /nfs/dbraw/zinc/35/35/83/487353583.db2.gz ZPZSIRIOOWXYCL-KOLCDFICSA-N 2 2 198.310 0.753 20 0 ACADLP C[C@@H]1CC[N@H+](CCC[NH3+])C[C@@H]1C[NH3+] 667040146 487353632 /nfs/dbraw/zinc/35/36/32/487353632.db2.gz ZWNMGUAAPFTBIY-ZJUUUORDSA-N 3 2 185.315 0.252 20 0 ACADLP C[C@@H]1CC[N@@H+](CCC[NH3+])C[C@@H]1C[NH3+] 667040146 487353635 /nfs/dbraw/zinc/35/36/35/487353635.db2.gz ZWNMGUAAPFTBIY-ZJUUUORDSA-N 3 2 185.315 0.252 20 0 ACADLP C[C@@H]([NH2+]C[C@@H]1C[NH2+]CCO1)C1CCC1 667038351 487353700 /nfs/dbraw/zinc/35/37/00/487353700.db2.gz KITSQEVUXPPGOQ-KOLCDFICSA-N 2 2 198.310 0.753 20 0 ACADLP Cc1[nH+]cc(C[N@@H+]2CC[C@@H](O)C2)n1C 667495805 487355572 /nfs/dbraw/zinc/35/55/72/487355572.db2.gz ZZMZYIIGWSRSJU-SNVBAGLBSA-N 2 2 195.266 0.295 20 0 ACADLP Cc1[nH+]cc(C[N@H+]2CC[C@@H](O)C2)n1C 667495805 487355574 /nfs/dbraw/zinc/35/55/74/487355574.db2.gz ZZMZYIIGWSRSJU-SNVBAGLBSA-N 2 2 195.266 0.295 20 0 ACADLP C[N@H+](CCO)Cc1c[nH+]c2n1CCC2 667471524 487355585 /nfs/dbraw/zinc/35/55/85/487355585.db2.gz BBMYRJNHIILODB-UHFFFAOYSA-N 2 2 195.266 0.253 20 0 ACADLP C[N@@H+](CCO)Cc1c[nH+]c2n1CCC2 667471524 487355588 /nfs/dbraw/zinc/35/55/88/487355588.db2.gz BBMYRJNHIILODB-UHFFFAOYSA-N 2 2 195.266 0.253 20 0 ACADLP COCC[N@H+](C)Cc1c[nH+]c(C)n1C 667495626 487355930 /nfs/dbraw/zinc/35/59/30/487355930.db2.gz QRKSFGMGJUXHJY-UHFFFAOYSA-N 2 2 197.282 0.807 20 0 ACADLP COCC[N@@H+](C)Cc1c[nH+]c(C)n1C 667495626 487355933 /nfs/dbraw/zinc/35/59/33/487355933.db2.gz QRKSFGMGJUXHJY-UHFFFAOYSA-N 2 2 197.282 0.807 20 0 ACADLP Cc1[nH+]cc(C[N@@H+]2CC[C@H](O)C2)n1C 667510983 487356053 /nfs/dbraw/zinc/35/60/53/487356053.db2.gz ZZMZYIIGWSRSJU-JTQLQIEISA-N 2 2 195.266 0.295 20 0 ACADLP Cc1[nH+]cc(C[N@H+]2CC[C@H](O)C2)n1C 667510983 487356056 /nfs/dbraw/zinc/35/60/56/487356056.db2.gz ZZMZYIIGWSRSJU-JTQLQIEISA-N 2 2 195.266 0.295 20 0 ACADLP CC[N@H+](CCO)Cc1c[nH+]c(C)n1C 667472824 487356101 /nfs/dbraw/zinc/35/61/01/487356101.db2.gz RJHBITQQNHJPSJ-UHFFFAOYSA-N 2 2 197.282 0.543 20 0 ACADLP CC[N@@H+](CCO)Cc1c[nH+]c(C)n1C 667472824 487356103 /nfs/dbraw/zinc/35/61/03/487356103.db2.gz RJHBITQQNHJPSJ-UHFFFAOYSA-N 2 2 197.282 0.543 20 0 ACADLP Cc1[nH+]cc(C[N@H+](C)CCO)n1C 667471940 487356135 /nfs/dbraw/zinc/35/61/35/487356135.db2.gz QKOKVUUPDXFXQH-UHFFFAOYSA-N 2 2 183.255 0.153 20 0 ACADLP Cc1[nH+]cc(C[N@@H+](C)CCO)n1C 667471940 487356137 /nfs/dbraw/zinc/35/61/37/487356137.db2.gz QKOKVUUPDXFXQH-UHFFFAOYSA-N 2 2 183.255 0.153 20 0 ACADLP Cc1[nH+]cc(C[N@@H+](C)C[C@H](C)O)n1C 667978580 487358465 /nfs/dbraw/zinc/35/84/65/487358465.db2.gz HTLSHBYNZWQNCB-QMMMGPOBSA-N 2 2 197.282 0.541 20 0 ACADLP Cc1[nH+]cc(C[N@H+](C)C[C@H](C)O)n1C 667978580 487358467 /nfs/dbraw/zinc/35/84/67/487358467.db2.gz HTLSHBYNZWQNCB-QMMMGPOBSA-N 2 2 197.282 0.541 20 0 ACADLP Cc1[nH+]cc(C[N@@H+](C)C[C@@H](C)O)n1C 667978579 487358536 /nfs/dbraw/zinc/35/85/36/487358536.db2.gz HTLSHBYNZWQNCB-MRVPVSSYSA-N 2 2 197.282 0.541 20 0 ACADLP Cc1[nH+]cc(C[N@H+](C)C[C@@H](C)O)n1C 667978579 487358539 /nfs/dbraw/zinc/35/85/39/487358539.db2.gz HTLSHBYNZWQNCB-MRVPVSSYSA-N 2 2 197.282 0.541 20 0 ACADLP Cc1[nH+]cc(C[N@H+](C)CCCO)n1C 668103734 487359900 /nfs/dbraw/zinc/35/99/00/487359900.db2.gz RNTOKPJBEXCPAB-UHFFFAOYSA-N 2 2 197.282 0.543 20 0 ACADLP Cc1[nH+]cc(C[N@@H+](C)CCCO)n1C 668103734 487359905 /nfs/dbraw/zinc/35/99/05/487359905.db2.gz RNTOKPJBEXCPAB-UHFFFAOYSA-N 2 2 197.282 0.543 20 0 ACADLP Cc1[nH+]cc(C[NH2+]CCF)n1C 668099511 487359969 /nfs/dbraw/zinc/35/99/69/487359969.db2.gz LGFJTEWNNJHRDH-UHFFFAOYSA-N 2 2 171.219 0.788 20 0 ACADLP FCC[NH2+]Cc1c[nH+]c2n1CCC2 668099289 487360223 /nfs/dbraw/zinc/36/02/23/487360223.db2.gz DOKLYHAVOCQSEZ-UHFFFAOYSA-N 2 2 183.230 0.888 20 0 ACADLP Cc1[nH+]cc(C[N@@H+](C)[C@H](C)CO)n1C 668163478 487360594 /nfs/dbraw/zinc/36/05/94/487360594.db2.gz AGEZUFFIVIXWAQ-MRVPVSSYSA-N 2 2 197.282 0.541 20 0 ACADLP Cc1[nH+]cc(C[N@H+](C)[C@H](C)CO)n1C 668163478 487360597 /nfs/dbraw/zinc/36/05/97/487360597.db2.gz AGEZUFFIVIXWAQ-MRVPVSSYSA-N 2 2 197.282 0.541 20 0 ACADLP C[C@@H]1C[N@H+](C[C@@H]2CCC[NH2+]C2)CCO1 19423508 582507380 /nfs/dbraw/zinc/50/73/80/582507380.db2.gz HYFYICPTHVWGSX-GHMZBOCLSA-N 2 2 198.310 0.707 20 0 ACADLP C[C@@H]1C[N@@H+](C[C@@H]2CCC[NH2+]C2)CCO1 19423508 582507384 /nfs/dbraw/zinc/50/73/84/582507384.db2.gz HYFYICPTHVWGSX-GHMZBOCLSA-N 2 2 198.310 0.707 20 0 ACADLP C[C@H]1C[N@H+](C[C@@H]2CCC[NH2+]C2)CCO1 19423510 582507402 /nfs/dbraw/zinc/50/74/02/582507402.db2.gz HYFYICPTHVWGSX-WDEREUQCSA-N 2 2 198.310 0.707 20 0 ACADLP C[C@H]1C[N@@H+](C[C@@H]2CCC[NH2+]C2)CCO1 19423510 582507404 /nfs/dbraw/zinc/50/74/04/582507404.db2.gz HYFYICPTHVWGSX-WDEREUQCSA-N 2 2 198.310 0.707 20 0 ACADLP C1CC[C@H](C[NH+]2CCOCC2)C[NH2+]C1 211409288 582514392 /nfs/dbraw/zinc/51/43/92/582514392.db2.gz RNVACRWVGXTBDL-NSHDSACASA-N 2 2 198.310 0.708 20 0 ACADLP C1CC[C@@H](C[NH+]2CCOCC2)C[NH2+]C1 211409220 582514646 /nfs/dbraw/zinc/51/46/46/582514646.db2.gz RNVACRWVGXTBDL-LLVKDONJSA-N 2 2 198.310 0.708 20 0 ACADLP CC[C@@H]([NH3+])c1nc(C2([NH3+])CCC2)no1 306929222 582520593 /nfs/dbraw/zinc/52/05/93/582520593.db2.gz CJXJZAADDPESFD-ZCFIWIBFSA-N 2 2 196.254 0.817 20 0 ACADLP O[C@H]1C[C@@H]([NH2+]Cc2c[nH+]c[nH]2)C1 894942686 582521754 /nfs/dbraw/zinc/52/17/54/582521754.db2.gz YZWZIPCMBDUBNH-WRXNHJIOSA-N 2 2 167.212 0.023 20 0 ACADLP C[C@H](CCO)[NH2+]CC1([NH+](C)C)CC1 894956509 582521858 /nfs/dbraw/zinc/52/18/58/582521858.db2.gz ROSMUYTWIKKYRY-SECBINFHSA-N 2 2 186.299 0.441 20 0 ACADLP C[C@@H](CCO)[NH2+]CC1([NH+](C)C)CC1 894956510 582521967 /nfs/dbraw/zinc/52/19/67/582521967.db2.gz ROSMUYTWIKKYRY-VIFPVBQESA-N 2 2 186.299 0.441 20 0 ACADLP C[C@H]([NH2+][C@@H]1CC[N@H+](C)C1)[C@H]1CCOC1 133282163 582523143 /nfs/dbraw/zinc/52/31/43/582523143.db2.gz RYTMQPUUYIENSV-GARJFASQSA-N 2 2 198.310 0.705 20 0 ACADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)C1)[C@H]1CCOC1 133282163 582523146 /nfs/dbraw/zinc/52/31/46/582523146.db2.gz RYTMQPUUYIENSV-GARJFASQSA-N 2 2 198.310 0.705 20 0 ACADLP OC[C@H](CCF)[NH2+]Cc1c[nH+]c[nH]1 895148392 582523906 /nfs/dbraw/zinc/52/39/06/582523906.db2.gz GXLKFWABOCMDGK-ZETCQYMHSA-N 2 2 187.218 0.220 20 0 ACADLP OC[C@@H](CCF)[NH2+]Cc1c[nH+]c[nH]1 895148391 582523920 /nfs/dbraw/zinc/52/39/20/582523920.db2.gz GXLKFWABOCMDGK-SSDOTTSWSA-N 2 2 187.218 0.220 20 0 ACADLP [NH3+]C1(C(F)F)CC[NH2+]CC1 213665352 582526222 /nfs/dbraw/zinc/52/62/22/582526222.db2.gz ZZEYDEMXBLYGAJ-UHFFFAOYSA-N 2 2 150.172 0.332 20 0 ACADLP O[C@H]1C[C@H]([NH2+]Cc2c[nH+]c[nH]2)C1 895351897 582527740 /nfs/dbraw/zinc/52/77/40/582527740.db2.gz YZWZIPCMBDUBNH-FKQCQYRASA-N 2 2 167.212 0.023 20 0 ACADLP Nc1cn(CC[NH+]2CCCC2)c[nH+]1 148238027 582539169 /nfs/dbraw/zinc/53/91/69/582539169.db2.gz PQPXSPKJFNORMP-UHFFFAOYSA-N 2 2 180.255 0.561 20 0 ACADLP O[C@@H](CC[NH2+]Cc1c[nH+]c[nH]1)C1CC1 898199788 582551327 /nfs/dbraw/zinc/55/13/27/582551327.db2.gz QQDGNZHUDYFMLG-JTQLQIEISA-N 2 2 195.266 0.660 20 0 ACADLP O[C@H](CC[NH2+]Cc1c[nH+]c[nH]1)C1CC1 898199789 582550912 /nfs/dbraw/zinc/55/09/12/582550912.db2.gz QQDGNZHUDYFMLG-SNVBAGLBSA-N 2 2 195.266 0.660 20 0 ACADLP C[C@H](CCCCO)[NH2+]CC[NH+](C)C 379391485 582554189 /nfs/dbraw/zinc/55/41/89/582554189.db2.gz PSKZIRBSDZOJED-SNVBAGLBSA-N 2 2 188.315 0.689 20 0 ACADLP C[C@@H](CCCCO)[NH2+]CC[NH+](C)C 379391484 582554233 /nfs/dbraw/zinc/55/42/33/582554233.db2.gz PSKZIRBSDZOJED-JTQLQIEISA-N 2 2 188.315 0.689 20 0 ACADLP [NH3+]C1(CN[C@@H]2CCn3cc[nH+]c32)CC1 902405612 582598864 /nfs/dbraw/zinc/59/88/64/582598864.db2.gz JIIPNOPKXQOWMH-MRVPVSSYSA-N 2 2 192.266 0.409 20 0 ACADLP [NH3+]C1(CN[C@H]2CCn3cc[nH+]c32)CC1 902405613 582599602 /nfs/dbraw/zinc/59/96/02/582599602.db2.gz JIIPNOPKXQOWMH-QMMMGPOBSA-N 2 2 192.266 0.409 20 0 ACADLP C[C@@H](NCC1([NH3+])CC1)c1[nH+]ccn1C 902412793 582601422 /nfs/dbraw/zinc/60/14/22/582601422.db2.gz FEQSLMLBAQPIMO-MRVPVSSYSA-N 2 2 194.282 0.562 20 0 ACADLP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]CC1([NH3+])CC1 902407565 582599868 /nfs/dbraw/zinc/59/98/68/582599868.db2.gz QSRNOIQVISOJIT-IUCAKERBSA-N 3 2 183.299 0.195 20 0 ACADLP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]CC1([NH3+])CC1 902408122 582599875 /nfs/dbraw/zinc/59/98/75/582599875.db2.gz XAWGQQDTSUNLFX-UWVGGRQHSA-N 3 2 197.326 0.585 20 0 ACADLP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]CC1([NH3+])CC1 902408124 582599938 /nfs/dbraw/zinc/59/99/38/582599938.db2.gz XAWGQQDTSUNLFX-VHSXEESVSA-N 3 2 197.326 0.585 20 0 ACADLP [NH3+][C@@H]1CCC[C@@H]([NH2+]CC2([NH3+])CC2)C1 902409162 582599967 /nfs/dbraw/zinc/59/99/67/582599967.db2.gz HSCQNMWNPSTDQG-RKDXNWHRSA-N 3 2 183.299 0.337 20 0 ACADLP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]CC1([NH3+])CC1 902407563 582600041 /nfs/dbraw/zinc/60/00/41/582600041.db2.gz QSRNOIQVISOJIT-BDAKNGLRSA-N 3 2 183.299 0.195 20 0 ACADLP [NH3+]C1(C[NH2+][C@H]2CCC[NH2+]CC2)CC1 902407052 582600144 /nfs/dbraw/zinc/60/01/44/582600144.db2.gz ONMPFFYKQNWUBI-VIFPVBQESA-N 3 2 183.299 0.209 20 0 ACADLP [NH3+][C@@H]1CCC[C@H]([NH2+]CC2([NH3+])CC2)C1 902409159 582600184 /nfs/dbraw/zinc/60/01/84/582600184.db2.gz HSCQNMWNPSTDQG-BDAKNGLRSA-N 3 2 183.299 0.337 20 0 ACADLP [NH3+][C@H]1CCC[C@@H]([NH2+]CC2([NH3+])CC2)C1 902409160 582600250 /nfs/dbraw/zinc/60/02/50/582600250.db2.gz HSCQNMWNPSTDQG-DTWKUNHWSA-N 3 2 183.299 0.337 20 0 ACADLP [NH3+]C[C@H]1CCC[C@H]1[NH2+]CC1([NH3+])CC1 902407566 582600255 /nfs/dbraw/zinc/60/02/55/582600255.db2.gz QSRNOIQVISOJIT-RKDXNWHRSA-N 3 2 183.299 0.195 20 0 ACADLP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]CC1([NH3+])CC1 902407753 582600260 /nfs/dbraw/zinc/60/02/60/582600260.db2.gz SZCSSYUKEVYNQW-UWVGGRQHSA-N 3 2 197.326 0.727 20 0 ACADLP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]CC1([NH3+])CC1 902408125 582600288 /nfs/dbraw/zinc/60/02/88/582600288.db2.gz XAWGQQDTSUNLFX-ZJUUUORDSA-N 3 2 197.326 0.585 20 0 ACADLP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]CC1([NH3+])CC1 902407564 582600356 /nfs/dbraw/zinc/60/03/56/582600356.db2.gz QSRNOIQVISOJIT-DTWKUNHWSA-N 3 2 183.299 0.195 20 0 ACADLP C[C@H]([NH3+])C[C@H](C)[NH2+]CC1([NH3+])CC1 902407809 582600398 /nfs/dbraw/zinc/60/03/98/582600398.db2.gz VFJPQVLBIVZRKA-YUMQZZPRSA-N 3 2 171.288 0.193 20 0 ACADLP C[C@H](NCC1([NH3+])CC1)c1[nH]cc[nH+]1 902409701 582600422 /nfs/dbraw/zinc/60/04/22/582600422.db2.gz MKIWIJHBVIXUAJ-ZETCQYMHSA-N 2 2 180.255 0.552 20 0 ACADLP [NH3+]C1(C[NH2+][C@@H]2CCC[NH2+]CC2)CC1 902407050 582600477 /nfs/dbraw/zinc/60/04/77/582600477.db2.gz ONMPFFYKQNWUBI-SECBINFHSA-N 3 2 183.299 0.209 20 0 ACADLP C[C@@H]([NH3+])C[C@@H](C)[NH2+]CC1([NH3+])CC1 902407806 582600504 /nfs/dbraw/zinc/60/05/04/582600504.db2.gz VFJPQVLBIVZRKA-HTQZYQBOSA-N 3 2 171.288 0.193 20 0 ACADLP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]CC1([NH3+])CC1 902407755 582600532 /nfs/dbraw/zinc/60/05/32/582600532.db2.gz SZCSSYUKEVYNQW-ZJUUUORDSA-N 3 2 197.326 0.727 20 0 ACADLP [NH3+][C@H]1CCC[C@H]([NH2+]CC2([NH3+])CC2)C1 902409161 582600566 /nfs/dbraw/zinc/60/05/66/582600566.db2.gz HSCQNMWNPSTDQG-IUCAKERBSA-N 3 2 183.299 0.337 20 0 ACADLP C[C@@H](C[C@@H](C)[NH3+])[NH2+]CC1([NH3+])CC1 902407808 582600650 /nfs/dbraw/zinc/60/06/50/582600650.db2.gz VFJPQVLBIVZRKA-SFYZADRCSA-N 3 2 171.288 0.193 20 0 ACADLP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]CC1([NH3+])CC1 902408121 582600674 /nfs/dbraw/zinc/60/06/74/582600674.db2.gz XAWGQQDTSUNLFX-NXEZZACHSA-N 3 2 197.326 0.585 20 0 ACADLP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]CC1([NH3+])CC1 902407752 582600757 /nfs/dbraw/zinc/60/07/57/582600757.db2.gz SZCSSYUKEVYNQW-NXEZZACHSA-N 3 2 197.326 0.727 20 0 ACADLP C[C@@H](NCC1([NH3+])CC1)c1[nH]cc[nH+]1 902409700 582600776 /nfs/dbraw/zinc/60/07/76/582600776.db2.gz MKIWIJHBVIXUAJ-SSDOTTSWSA-N 2 2 180.255 0.552 20 0 ACADLP C[C@H]([NH3+])C[C@@H](C)[NH2+]CC1([NH3+])CC1 902407807 582600813 /nfs/dbraw/zinc/60/08/13/582600813.db2.gz VFJPQVLBIVZRKA-JGVFFNPUSA-N 3 2 171.288 0.193 20 0 ACADLP [NH3+][C@H]1CCCCC[C@H]1[NH2+]CC1([NH3+])CC1 902407754 582600832 /nfs/dbraw/zinc/60/08/32/582600832.db2.gz SZCSSYUKEVYNQW-VHSXEESVSA-N 3 2 197.326 0.727 20 0 ACADLP C[C@H](NCC1([NH3+])CC1)c1[nH+]ccn1C 902412794 582601201 /nfs/dbraw/zinc/60/12/01/582601201.db2.gz FEQSLMLBAQPIMO-QMMMGPOBSA-N 2 2 194.282 0.562 20 0 ACADLP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CC1([NH3+])CC1 902405565 582603400 /nfs/dbraw/zinc/60/34/00/582603400.db2.gz IWICYNRMTHSJSI-ZJUUUORDSA-N 3 2 197.326 0.455 20 0 ACADLP C[C@H]([NH2+]CC1([NH3+])CC1)c1cnn(C)c1 902416824 582603245 /nfs/dbraw/zinc/60/32/45/582603245.db2.gz OPJGITOJJNVDAG-QMMMGPOBSA-N 2 2 194.282 0.562 20 0 ACADLP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]CC1([NH3+])CC1 902405564 582603311 /nfs/dbraw/zinc/60/33/11/582603311.db2.gz IWICYNRMTHSJSI-VHSXEESVSA-N 3 2 197.326 0.455 20 0 ACADLP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CC1([NH3+])CC1 902405560 582603605 /nfs/dbraw/zinc/60/36/05/582603605.db2.gz IWICYNRMTHSJSI-NXEZZACHSA-N 3 2 197.326 0.455 20 0 ACADLP C[C@H]([NH2+]CC1([NH3+])CC1)c1ccn(C)n1 902404949 582603725 /nfs/dbraw/zinc/60/37/25/582603725.db2.gz HGSYCMQBENMFSA-QMMMGPOBSA-N 2 2 194.282 0.562 20 0 ACADLP C[C@@H]([NH2+]CC1([NH3+])CC1)c1ccnn1C 902403423 582603815 /nfs/dbraw/zinc/60/38/15/582603815.db2.gz ACRJJKUFIXNIAI-MRVPVSSYSA-N 2 2 194.282 0.562 20 0 ACADLP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]CC1([NH3+])CC1 902405562 582603944 /nfs/dbraw/zinc/60/39/44/582603944.db2.gz IWICYNRMTHSJSI-UWVGGRQHSA-N 3 2 197.326 0.455 20 0 ACADLP C[C@@H]([NH2+]CC1([NH3+])CC1)c1cnn(C)c1 902416819 582604020 /nfs/dbraw/zinc/60/40/20/582604020.db2.gz OPJGITOJJNVDAG-MRVPVSSYSA-N 2 2 194.282 0.562 20 0 ACADLP C[C@H]([NH2+]CC1([NH3+])CC1)c1ccnn1C 902403429 582604023 /nfs/dbraw/zinc/60/40/23/582604023.db2.gz ACRJJKUFIXNIAI-QMMMGPOBSA-N 2 2 194.282 0.562 20 0 ACADLP C[C@@H]([NH2+]CC1([NH3+])CC1)c1ccn(C)n1 902404946 582604078 /nfs/dbraw/zinc/60/40/78/582604078.db2.gz HGSYCMQBENMFSA-MRVPVSSYSA-N 2 2 194.282 0.562 20 0 ACADLP C[C@H]([NH2+]CC1([NH3+])CC1)c1cnccn1 902415111 582605200 /nfs/dbraw/zinc/60/52/00/582605200.db2.gz AVADOXMPUUWDOL-QMMMGPOBSA-N 2 2 192.266 0.619 20 0 ACADLP Cc1n[nH]cc1[C@@H](C)[NH2+]CC1([NH3+])CC1 902414134 582605231 /nfs/dbraw/zinc/60/52/31/582605231.db2.gz TYOPHHXBQMZSFT-SSDOTTSWSA-N 2 2 194.282 0.860 20 0 ACADLP Cc1n[nH]cc1[C@H](C)[NH2+]CC1([NH3+])CC1 902414136 582605554 /nfs/dbraw/zinc/60/55/54/582605554.db2.gz TYOPHHXBQMZSFT-ZETCQYMHSA-N 2 2 194.282 0.860 20 0 ACADLP C[C@@H]([NH2+]CC1([NH3+])CC1)c1cnccn1 902415110 582605757 /nfs/dbraw/zinc/60/57/57/582605757.db2.gz AVADOXMPUUWDOL-MRVPVSSYSA-N 2 2 192.266 0.619 20 0 ACADLP C[C@@H]1OCC[C@H]1[NH2+][C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 902474680 582605932 /nfs/dbraw/zinc/60/59/32/582605932.db2.gz HMYJQUVZPQKSLE-UNQZSWDGSA-N 2 2 196.294 0.646 20 0 ACADLP C[C@@H]1OCC[C@@H]1[NH2+][C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 902474677 582606061 /nfs/dbraw/zinc/60/60/61/582606061.db2.gz HMYJQUVZPQKSLE-HPENLJRUSA-N 2 2 196.294 0.646 20 0 ACADLP C[C@H]1OCC[C@H]1[NH2+][C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 902474678 582606605 /nfs/dbraw/zinc/60/66/05/582606605.db2.gz HMYJQUVZPQKSLE-MVCUBJFGSA-N 2 2 196.294 0.646 20 0 ACADLP C[C@H]1OCC[C@@H]1[NH2+][C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 902474679 582606830 /nfs/dbraw/zinc/60/68/30/582606830.db2.gz HMYJQUVZPQKSLE-SAVGLBRCSA-N 2 2 196.294 0.646 20 0 ACADLP Cn1c[nH+]c(CN[C@H]2CCC[C@H]2[NH3+])c1 902462332 582607100 /nfs/dbraw/zinc/60/71/00/582607100.db2.gz UQBCCALZCNCUTL-ZJUUUORDSA-N 2 2 194.282 0.390 20 0 ACADLP Cn1cnc(C[NH2+][C@H]2CCC[C@H]2[NH3+])c1 902462332 582607101 /nfs/dbraw/zinc/60/71/01/582607101.db2.gz UQBCCALZCNCUTL-ZJUUUORDSA-N 2 2 194.282 0.390 20 0 ACADLP Cn1c[nH+]c(CN[C@@H]2CCC[C@@H]2[NH3+])c1 902462331 582607522 /nfs/dbraw/zinc/60/75/22/582607522.db2.gz UQBCCALZCNCUTL-VHSXEESVSA-N 2 2 194.282 0.390 20 0 ACADLP Cn1cnc(C[NH2+][C@@H]2CCC[C@@H]2[NH3+])c1 902462331 582607524 /nfs/dbraw/zinc/60/75/24/582607524.db2.gz UQBCCALZCNCUTL-VHSXEESVSA-N 2 2 194.282 0.390 20 0 ACADLP Cn1c[nH+]c(CN[C@H]2CCC[C@@H]2[NH3+])c1 902462330 582607537 /nfs/dbraw/zinc/60/75/37/582607537.db2.gz UQBCCALZCNCUTL-UWVGGRQHSA-N 2 2 194.282 0.390 20 0 ACADLP Cn1cnc(C[NH2+][C@H]2CCC[C@@H]2[NH3+])c1 902462330 582607539 /nfs/dbraw/zinc/60/75/39/582607539.db2.gz UQBCCALZCNCUTL-UWVGGRQHSA-N 2 2 194.282 0.390 20 0 ACADLP Cn1c[nH+]c(CN[C@@H]2CCC[C@H]2[NH3+])c1 902462329 582607733 /nfs/dbraw/zinc/60/77/33/582607733.db2.gz UQBCCALZCNCUTL-NXEZZACHSA-N 2 2 194.282 0.390 20 0 ACADLP Cn1cnc(C[NH2+][C@@H]2CCC[C@H]2[NH3+])c1 902462329 582607736 /nfs/dbraw/zinc/60/77/36/582607736.db2.gz UQBCCALZCNCUTL-NXEZZACHSA-N 2 2 194.282 0.390 20 0 ACADLP C[C@H](c1ncccn1)[N@H+](C)CCC[NH3+] 903424891 582624406 /nfs/dbraw/zinc/62/44/06/582624406.db2.gz KNXQHEHQSZUFOI-SECBINFHSA-N 2 2 194.282 0.818 20 0 ACADLP C[C@H](c1ncccn1)[N@@H+](C)CCC[NH3+] 903424891 582624407 /nfs/dbraw/zinc/62/44/07/582624407.db2.gz KNXQHEHQSZUFOI-SECBINFHSA-N 2 2 194.282 0.818 20 0 ACADLP C[C@@H](c1ncccn1)[N@H+](C)CCC[NH3+] 903424892 582624793 /nfs/dbraw/zinc/62/47/93/582624793.db2.gz KNXQHEHQSZUFOI-VIFPVBQESA-N 2 2 194.282 0.818 20 0 ACADLP C[C@@H](c1ncccn1)[N@@H+](C)CCC[NH3+] 903424892 582624794 /nfs/dbraw/zinc/62/47/94/582624794.db2.gz KNXQHEHQSZUFOI-VIFPVBQESA-N 2 2 194.282 0.818 20 0 ACADLP C1=CCN(CC[C@H]2CCC[NH2+]C2)[NH2+]C1 903489728 582625110 /nfs/dbraw/zinc/62/51/10/582625110.db2.gz ZKJMQMCSZLUANK-LLVKDONJSA-N 2 2 195.310 0.753 20 0 ACADLP C1=CCN(CCC2CC[NH2+]CC2)[NH2+]C1 903489698 582625363 /nfs/dbraw/zinc/62/53/63/582625363.db2.gz XROMXUYHHQRWEF-UHFFFAOYSA-N 2 2 195.310 0.753 20 0 ACADLP C1=CCN(CC2CC[NH2+]CC2)[NH2+]C1 903487953 582625415 /nfs/dbraw/zinc/62/54/15/582625415.db2.gz OGAMNZSMJILTGR-UHFFFAOYSA-N 2 2 181.283 0.362 20 0 ACADLP C1=CCN(CC[C@@H]2CCC[NH2+]C2)[NH2+]C1 903489729 582625429 /nfs/dbraw/zinc/62/54/29/582625429.db2.gz ZKJMQMCSZLUANK-NSHDSACASA-N 2 2 195.310 0.753 20 0 ACADLP [NH3+]CCCCCCN1CC=CC[NH2+]1 903490784 582625468 /nfs/dbraw/zinc/62/54/68/582625468.db2.gz IELCWBSHJZEUPO-UHFFFAOYSA-N 2 2 183.299 0.882 20 0 ACADLP C1=CCN(CC[C@@H]2CC[NH2+]C2)[NH2+]C1 903489354 582625623 /nfs/dbraw/zinc/62/56/23/582625623.db2.gz NSIALFPTOSGAHE-JTQLQIEISA-N 2 2 181.283 0.362 20 0 ACADLP C1=CCN(CC[C@H]2CC[NH2+]C2)[NH2+]C1 903489355 582625913 /nfs/dbraw/zinc/62/59/13/582625913.db2.gz NSIALFPTOSGAHE-SNVBAGLBSA-N 2 2 181.283 0.362 20 0 ACADLP Cn1ccc(C[NH2+]CC2([NH3+])CCC2)n1 903743424 582627322 /nfs/dbraw/zinc/62/73/22/582627322.db2.gz KVYWTAXUAQTRIG-UHFFFAOYSA-N 2 2 194.282 0.391 20 0 ACADLP C[C@H]1CCOCC[N@@H+]1C[C@H]1CCC[NH2+]1 903831875 582627564 /nfs/dbraw/zinc/62/75/64/582627564.db2.gz MOKSKLOLWYARQM-WDEREUQCSA-N 2 2 198.310 0.849 20 0 ACADLP C[C@H]1CCOCC[N@H+]1C[C@H]1CCC[NH2+]1 903831875 582627566 /nfs/dbraw/zinc/62/75/66/582627566.db2.gz MOKSKLOLWYARQM-WDEREUQCSA-N 2 2 198.310 0.849 20 0 ACADLP C[C@@H]1CCOCC[N@@H+]1C[C@H]1CCC[NH2+]1 903831874 582627859 /nfs/dbraw/zinc/62/78/59/582627859.db2.gz MOKSKLOLWYARQM-GHMZBOCLSA-N 2 2 198.310 0.849 20 0 ACADLP C[C@@H]1CCOCC[N@H+]1C[C@H]1CCC[NH2+]1 903831874 582627860 /nfs/dbraw/zinc/62/78/60/582627860.db2.gz MOKSKLOLWYARQM-GHMZBOCLSA-N 2 2 198.310 0.849 20 0 ACADLP C[N@H+](CCC[NH3+])C[C@@H]([NH3+])CC(F)F 903873344 582628745 /nfs/dbraw/zinc/62/87/45/582628745.db2.gz HKEVNXQATHJAFT-ZETCQYMHSA-N 3 2 195.257 0.250 20 0 ACADLP C[N@@H+](CCC[NH3+])C[C@@H]([NH3+])CC(F)F 903873344 582628746 /nfs/dbraw/zinc/62/87/46/582628746.db2.gz HKEVNXQATHJAFT-ZETCQYMHSA-N 3 2 195.257 0.250 20 0 ACADLP C[N@H+](CCC[NH3+])C[C@H]([NH3+])CC(F)F 903873343 582629030 /nfs/dbraw/zinc/62/90/30/582629030.db2.gz HKEVNXQATHJAFT-SSDOTTSWSA-N 3 2 195.257 0.250 20 0 ACADLP C[N@@H+](CCC[NH3+])C[C@H]([NH3+])CC(F)F 903873343 582629031 /nfs/dbraw/zinc/62/90/31/582629031.db2.gz HKEVNXQATHJAFT-SSDOTTSWSA-N 3 2 195.257 0.250 20 0 ACADLP C[C@@H]1C[NH2+]C[C@H]1[NH2+]Cc1ccncc1 903960296 582629523 /nfs/dbraw/zinc/62/95/23/582629523.db2.gz CMOFUNBYROHBMK-MWLCHTKSSA-N 2 2 191.278 0.779 20 0 ACADLP CC(C)([NH3+])CC[NH2+][C@H]1CCC[NH2+]C1 903939902 582629694 /nfs/dbraw/zinc/62/96/94/582629694.db2.gz QCVKGRUTPFTWKE-VIFPVBQESA-N 3 2 185.315 0.455 20 0 ACADLP C[C@@H]1C[NH2+]C[C@H]1NCc1[nH+]ccn1C 903960650 582630022 /nfs/dbraw/zinc/63/00/22/582630022.db2.gz SNFAVQLLUSYQPU-RKDXNWHRSA-N 2 2 194.282 0.118 20 0 ACADLP CC(C)([NH3+])CC[NH2+][C@@H]1CCC[NH2+]C1 903939901 582630104 /nfs/dbraw/zinc/63/01/04/582630104.db2.gz QCVKGRUTPFTWKE-SECBINFHSA-N 3 2 185.315 0.455 20 0 ACADLP CC(C)([NH3+])CC[NH2+]CC(C)(C)[NH3+] 903939198 582630161 /nfs/dbraw/zinc/63/01/61/582630161.db2.gz UZMNIPJGJZHUJK-UHFFFAOYSA-N 3 2 173.304 0.441 20 0 ACADLP CC(C)([NH3+])CC[NH2+][C@H]1CC[NH2+]C1 903939917 582630186 /nfs/dbraw/zinc/63/01/86/582630186.db2.gz QPCMNNDIJRXRQM-QMMMGPOBSA-N 3 2 171.288 0.065 20 0 ACADLP CC(C)([NH3+])CC[NH2+][C@@H]1CC[NH2+]C1 903939916 582630202 /nfs/dbraw/zinc/63/02/02/582630202.db2.gz QPCMNNDIJRXRQM-MRVPVSSYSA-N 3 2 171.288 0.065 20 0 ACADLP C[C@@H]1C[NH2+]C[C@H]1[NH2+]Cc1cccnc1 903960705 582630250 /nfs/dbraw/zinc/63/02/50/582630250.db2.gz VRPPLSBQVBSPSO-MWLCHTKSSA-N 2 2 191.278 0.779 20 0 ACADLP Cc1n[nH]cc1C[NH2+][C@@H]1C[NH2+]C[C@H]1C 903960256 582630257 /nfs/dbraw/zinc/63/02/57/582630257.db2.gz BALQMHSVVJULES-GMSGAONNSA-N 2 2 194.282 0.416 20 0 ACADLP C[C@@H]1C[NH2+]C[C@H]1[NH2+]Cc1ccn(C)c1 903964920 582630739 /nfs/dbraw/zinc/63/07/39/582630739.db2.gz UJUURCDWTQNELL-MWLCHTKSSA-N 2 2 193.294 0.723 20 0 ACADLP C[C@@H]1C[NH2+]C[C@H]1NCc1c[nH+]cn1C 903963636 582631085 /nfs/dbraw/zinc/63/10/85/582631085.db2.gz CYNLAHMFDFZVFT-PSASIEDQSA-N 2 2 194.282 0.118 20 0 ACADLP C[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1cc[nH]n1 903964592 582631247 /nfs/dbraw/zinc/63/12/47/582631247.db2.gz MEGOBZLGJGQNCK-BDAKNGLRSA-N 2 2 194.282 0.355 20 0 ACADLP C[N@H+](CCC[NH3+])C[C@@]1(C)CCC[NH2+]C1 904299704 582634888 /nfs/dbraw/zinc/63/48/88/582634888.db2.gz MCFWUJQLYSVZJV-NSHDSACASA-N 3 2 199.342 0.657 20 0 ACADLP C[N@@H+](CCC[NH3+])C[C@@]1(C)CCC[NH2+]C1 904299704 582634889 /nfs/dbraw/zinc/63/48/89/582634889.db2.gz MCFWUJQLYSVZJV-NSHDSACASA-N 3 2 199.342 0.657 20 0 ACADLP C[N@H+](CCC[NH3+])C[C@]1(C)CCC[NH2+]C1 904299703 582635365 /nfs/dbraw/zinc/63/53/65/582635365.db2.gz MCFWUJQLYSVZJV-LLVKDONJSA-N 3 2 199.342 0.657 20 0 ACADLP C[N@@H+](CCC[NH3+])C[C@]1(C)CCC[NH2+]C1 904299703 582635367 /nfs/dbraw/zinc/63/53/67/582635367.db2.gz MCFWUJQLYSVZJV-LLVKDONJSA-N 3 2 199.342 0.657 20 0 ACADLP CC[C@@H]([NH3+])C[NH2+]C[C@@]1(C)CCC[NH2+]C1 904355109 582635534 /nfs/dbraw/zinc/63/55/34/582635534.db2.gz NOFUYCPXLVCGRM-MNOVXSKESA-N 3 2 199.342 0.703 20 0 ACADLP CC[C@H]([NH3+])C[NH2+]C[C@@]1(C)CCC[NH2+]C1 904355110 582635540 /nfs/dbraw/zinc/63/55/40/582635540.db2.gz NOFUYCPXLVCGRM-QWRGUYRKSA-N 3 2 199.342 0.703 20 0 ACADLP CC[C@@H]([NH3+])C[NH2+]C[C@]1(C)CCC[NH2+]C1 904355108 582635800 /nfs/dbraw/zinc/63/58/00/582635800.db2.gz NOFUYCPXLVCGRM-GHMZBOCLSA-N 3 2 199.342 0.703 20 0 ACADLP C[NH2+]CC[NH2+]Cc1ccc(C[NH3+])cc1 904353583 582636463 /nfs/dbraw/zinc/63/64/63/582636463.db2.gz NWYJTMALMNWWFH-UHFFFAOYSA-N 3 2 193.294 0.454 20 0 ACADLP CC[C@H]([NH3+])C[NH2+]C[C@]1(C)CCC[NH2+]C1 904355111 582636481 /nfs/dbraw/zinc/63/64/81/582636481.db2.gz NOFUYCPXLVCGRM-WDEREUQCSA-N 3 2 199.342 0.703 20 0 ACADLP [NH3+]CC1CC([NH2+]CCn2cc[nH+]c2)C1 904363723 582636691 /nfs/dbraw/zinc/63/66/91/582636691.db2.gz BKWKZKXTVFCREZ-UHFFFAOYSA-N 3 2 194.282 0.210 20 0 ACADLP C[N@H+](CC[NH3+])Cc1ccc(C[NH3+])cc1 904371340 582637133 /nfs/dbraw/zinc/63/71/33/582637133.db2.gz MWUQBVVGDMACFQ-UHFFFAOYSA-N 3 2 193.294 0.536 20 0 ACADLP C[N@@H+](CC[NH3+])Cc1ccc(C[NH3+])cc1 904371340 582637134 /nfs/dbraw/zinc/63/71/34/582637134.db2.gz MWUQBVVGDMACFQ-UHFFFAOYSA-N 3 2 193.294 0.536 20 0 ACADLP Cc1ccncc1C[NH2+]CC1([NH3+])CC1 904443657 582637852 /nfs/dbraw/zinc/63/78/52/582637852.db2.gz MHVKTQXQMBGFBY-UHFFFAOYSA-N 2 2 191.278 0.971 20 0 ACADLP C[C@H](C[C@H]1CCC[NH2+]1)[NH2+]CC1([NH3+])CC1 904445624 582639125 /nfs/dbraw/zinc/63/91/25/582639125.db2.gz YLCGKGFYMQPQPI-NXEZZACHSA-N 3 2 197.326 0.598 20 0 ACADLP Cc1cn[nH]c1C[NH2+]CC1([NH3+])CC1 904442630 582637951 /nfs/dbraw/zinc/63/79/51/582637951.db2.gz GCLCCGUKQYSRHO-UHFFFAOYSA-N 2 2 180.255 0.299 20 0 ACADLP Cc1c[nH]nc1C[NH2+]CC1([NH3+])CC1 904442630 582637953 /nfs/dbraw/zinc/63/79/53/582637953.db2.gz GCLCCGUKQYSRHO-UHFFFAOYSA-N 2 2 180.255 0.299 20 0 ACADLP CC(C)([NH3+])C[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 904420300 582638050 /nfs/dbraw/zinc/63/80/50/582638050.db2.gz JWHNZIVACUZRCS-VHSXEESVSA-N 3 2 197.326 0.265 20 0 ACADLP CC(C)([NH3+])C[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 904420300 582638052 /nfs/dbraw/zinc/63/80/52/582638052.db2.gz JWHNZIVACUZRCS-VHSXEESVSA-N 3 2 197.326 0.265 20 0 ACADLP Cc1cnccc1C[NH2+]CC1([NH3+])CC1 904444836 582638109 /nfs/dbraw/zinc/63/81/09/582638109.db2.gz STBVRSKAGXLFEG-UHFFFAOYSA-N 2 2 191.278 0.971 20 0 ACADLP Nc1ncc(C[NH2+]CC2([NH3+])CC2)s1 904442056 582638192 /nfs/dbraw/zinc/63/81/92/582638192.db2.gz CLWUTUTUROFPOQ-UHFFFAOYSA-N 2 2 198.295 0.306 20 0 ACADLP CC(C)[C@H](C[NH3+])C[NH2+]CC1([NH3+])CC1 904444188 582638384 /nfs/dbraw/zinc/63/83/84/582638384.db2.gz OLQAPRMQHFIPSO-SECBINFHSA-N 3 2 185.315 0.298 20 0 ACADLP Cn1cncc1C[NH2+]CC1([NH3+])CC1 904444860 582638513 /nfs/dbraw/zinc/63/85/13/582638513.db2.gz TXLOZMCETMTFCB-UHFFFAOYSA-N 2 2 180.255 0.001 20 0 ACADLP Cn1c[nH+]cc1CNCC1([NH3+])CC1 904444860 582638514 /nfs/dbraw/zinc/63/85/14/582638514.db2.gz TXLOZMCETMTFCB-UHFFFAOYSA-N 2 2 180.255 0.001 20 0 ACADLP CC(C)[C@@H](C[NH3+])C[NH2+]CC1([NH3+])CC1 904444194 582638669 /nfs/dbraw/zinc/63/86/69/582638669.db2.gz OLQAPRMQHFIPSO-VIFPVBQESA-N 3 2 185.315 0.298 20 0 ACADLP CCn1cc(C[NH2+]CC2([NH3+])CC2)cn1 904449106 582638853 /nfs/dbraw/zinc/63/88/53/582638853.db2.gz GVFJLQWMUNIFIX-UHFFFAOYSA-N 2 2 194.282 0.484 20 0 ACADLP Cn1cc(C[NH2+]CC2([NH3+])CC2)cn1 904451643 582638858 /nfs/dbraw/zinc/63/88/58/582638858.db2.gz XXHRYUZPWRJGOC-UHFFFAOYSA-N 2 2 180.255 0.001 20 0 ACADLP C[C@H](C[C@@H]1CCC[NH2+]1)[NH2+]CC1([NH3+])CC1 904445627 582638930 /nfs/dbraw/zinc/63/89/30/582638930.db2.gz YLCGKGFYMQPQPI-ZJUUUORDSA-N 3 2 197.326 0.598 20 0 ACADLP C[C@@]1(C[NH2+]CC2([NH3+])CC2)CCC[NH2+]C1 904445562 582639025 /nfs/dbraw/zinc/63/90/25/582639025.db2.gz WZLHBNLEKVDJSE-SNVBAGLBSA-N 3 2 197.326 0.457 20 0 ACADLP Cn1nccc1C[NH2+]CC1([NH3+])CC1 904451646 582639106 /nfs/dbraw/zinc/63/91/06/582639106.db2.gz XZCYQGZOHLEFMU-UHFFFAOYSA-N 2 2 180.255 0.001 20 0 ACADLP Cc1nn(C)cc1C[NH2+]CC1([NH3+])CC1 904448543 582639166 /nfs/dbraw/zinc/63/91/66/582639166.db2.gz AYBZGYGOGDBZFM-UHFFFAOYSA-N 2 2 194.282 0.309 20 0 ACADLP Cc1noc(C)c1C[NH2+]CC1([NH3+])CC1 904450803 582639218 /nfs/dbraw/zinc/63/92/18/582639218.db2.gz SVVXYGNNOWVLSZ-UHFFFAOYSA-N 2 2 195.266 0.872 20 0 ACADLP Cc1cc(C[NH2+]CC2([NH3+])CC2)nn1C 904445559 582639237 /nfs/dbraw/zinc/63/92/37/582639237.db2.gz WWBOVKRTKQGIPQ-UHFFFAOYSA-N 2 2 194.282 0.309 20 0 ACADLP Cc1ncccc1C[NH2+]CC1([NH3+])CC1 904448640 582639256 /nfs/dbraw/zinc/63/92/56/582639256.db2.gz AWSLJBIWBQDGST-UHFFFAOYSA-N 2 2 191.278 0.971 20 0 ACADLP Cc1ccc(C[NH2+]CC2([NH3+])CC2)nc1 904450447 582639259 /nfs/dbraw/zinc/63/92/59/582639259.db2.gz QQWXEXHIXOVOAH-UHFFFAOYSA-N 2 2 191.278 0.971 20 0 ACADLP C[C@@H](C[C@H]1CCC[NH2+]1)[NH2+]CC1([NH3+])CC1 904445626 582639263 /nfs/dbraw/zinc/63/92/63/582639263.db2.gz YLCGKGFYMQPQPI-VHSXEESVSA-N 3 2 197.326 0.598 20 0 ACADLP C[C@@H](C[C@@H]1CCC[NH2+]1)[NH2+]CC1([NH3+])CC1 904445625 582639287 /nfs/dbraw/zinc/63/92/87/582639287.db2.gz YLCGKGFYMQPQPI-UWVGGRQHSA-N 3 2 197.326 0.598 20 0 ACADLP CCn1nccc1C[NH2+]CC1([NH3+])CC1 904449918 582639332 /nfs/dbraw/zinc/63/93/32/582639332.db2.gz NAGFHELSXLZWRW-UHFFFAOYSA-N 2 2 194.282 0.484 20 0 ACADLP C[C@]1(C[NH2+]CC2([NH3+])CC2)CCC[NH2+]C1 904445561 582639340 /nfs/dbraw/zinc/63/93/40/582639340.db2.gz WZLHBNLEKVDJSE-JTQLQIEISA-N 3 2 197.326 0.457 20 0 ACADLP Cc1n[nH]cc1C[NH2+]CC1([NH3+])CC1 904448608 582639349 /nfs/dbraw/zinc/63/93/49/582639349.db2.gz AKADZCMIEHNOFR-UHFFFAOYSA-N 2 2 180.255 0.299 20 0 ACADLP Cn1ccc(C[NH2+]CC2([NH3+])CC2)n1 904449817 582639360 /nfs/dbraw/zinc/63/93/60/582639360.db2.gz OTYLKEJAEXQIKN-UHFFFAOYSA-N 2 2 180.255 0.001 20 0 ACADLP [NH3+]C1(C[NH2+]Cc2cccc(O)c2)CC1 904450288 582639420 /nfs/dbraw/zinc/63/94/20/582639420.db2.gz QTEXJUMDXZHGND-UHFFFAOYSA-N 2 2 192.262 0.973 20 0 ACADLP Nc1ccc(C[NH2+]CC2([NH3+])CC2)cn1 904451259 582639437 /nfs/dbraw/zinc/63/94/37/582639437.db2.gz WZJFQZIPOBBVJH-UHFFFAOYSA-N 2 2 192.266 0.245 20 0 ACADLP CCn1cc[nH+]c1CNCC1([NH3+])CC1 904450934 582639468 /nfs/dbraw/zinc/63/94/68/582639468.db2.gz UNXGVJNEQCYQBD-UHFFFAOYSA-N 2 2 194.282 0.484 20 0 ACADLP Cc1ccc(C[NH2+]CC2([NH3+])CC2)cn1 904451175 582639590 /nfs/dbraw/zinc/63/95/90/582639590.db2.gz VSXCILASNMEDTL-UHFFFAOYSA-N 2 2 191.278 0.971 20 0 ACADLP [NH3+][C@H]1CCC[C@@H]([NH2+][C@H]2C[C@H]([NH3+])C2)C1 906517034 582655596 /nfs/dbraw/zinc/65/55/96/582655596.db2.gz CTJUJIPJRYICDE-QEYWKRMJSA-N 3 2 183.299 0.336 20 0 ACADLP CCCC[NH2+]CC[N@H+](CC)CCO 906527613 582655677 /nfs/dbraw/zinc/65/56/77/582655677.db2.gz LPPHCBAJVAVJPY-UHFFFAOYSA-N 2 2 188.315 0.690 20 0 ACADLP CCCC[NH2+]CC[N@@H+](CC)CCO 906527613 582655679 /nfs/dbraw/zinc/65/56/79/582655679.db2.gz LPPHCBAJVAVJPY-UHFFFAOYSA-N 2 2 188.315 0.690 20 0 ACADLP C[C@]1(C[NH2+][C@H]2C[C@H]([NH3+])C2)CCC[NH2+]C1 906517986 582655689 /nfs/dbraw/zinc/65/56/89/582655689.db2.gz MDLNDZNGSXBOJJ-DCAQKATOSA-N 3 2 197.326 0.455 20 0 ACADLP Cc1cn[nH]c1C[NH2+][C@H]1C[C@H]([NH3+])C1 906519363 582655702 /nfs/dbraw/zinc/65/57/02/582655702.db2.gz ZZOKBDDKAVDVAK-ZKCHVHJHSA-N 2 2 180.255 0.297 20 0 ACADLP Cc1c[nH]nc1C[NH2+][C@H]1C[C@H]([NH3+])C1 906519363 582655704 /nfs/dbraw/zinc/65/57/04/582655704.db2.gz ZZOKBDDKAVDVAK-ZKCHVHJHSA-N 2 2 180.255 0.297 20 0 ACADLP [NH3+][C@H]1C[C@H]([NH2+][C@H]2CCC[NH2+]CC2)C1 906517554 582655755 /nfs/dbraw/zinc/65/57/55/582655755.db2.gz HAJOZPBNGGLUIE-GUBZILKMSA-N 3 2 183.299 0.208 20 0 ACADLP [NH3+][C@@H]1CCC[C@@H]([NH2+][C@H]2C[C@H]([NH3+])C2)C1 906517037 582655795 /nfs/dbraw/zinc/65/57/95/582655795.db2.gz CTJUJIPJRYICDE-ZYUZMQFOSA-N 3 2 183.299 0.336 20 0 ACADLP [NH3+][C@@H]1CCC[C@H]([NH2+][C@H]2C[C@H]([NH3+])C2)C1 906517033 582655981 /nfs/dbraw/zinc/65/59/81/582655981.db2.gz CTJUJIPJRYICDE-DOLQZWNJSA-N 3 2 183.299 0.336 20 0 ACADLP Cc1cc(C[NH2+][C@H]2C[C@H]([NH3+])C2)nn1C 906518445 582655994 /nfs/dbraw/zinc/65/59/94/582655994.db2.gz NVXUXNPYXKLUBG-KYZUINATSA-N 2 2 194.282 0.308 20 0 ACADLP [NH3+][C@H]1C[C@H]([NH2+][C@@H]2CCC[NH2+]CC2)C1 906517555 582655997 /nfs/dbraw/zinc/65/59/97/582655997.db2.gz HAJOZPBNGGLUIE-OPRDCNLKSA-N 3 2 183.299 0.208 20 0 ACADLP CC(C)[C@@H](C[NH3+])C[NH2+][C@H]1C[C@H]([NH3+])C1 906519287 582656009 /nfs/dbraw/zinc/65/60/09/582656009.db2.gz XOXCQMJSZPLDMD-GUBZILKMSA-N 3 2 185.315 0.297 20 0 ACADLP C[C@H](C[C@H]1CCC[NH2+]1)[NH2+][C@H]1C[C@H]([NH3+])C1 906518892 582656031 /nfs/dbraw/zinc/65/60/31/582656031.db2.gz UFJDNNLBEQRVAI-GWOFURMSSA-N 3 2 197.326 0.596 20 0 ACADLP C[C@@H](C[C@H]1CCC[NH2+]1)[NH2+][C@H]1C[C@H]([NH3+])C1 906518893 582656048 /nfs/dbraw/zinc/65/60/48/582656048.db2.gz UFJDNNLBEQRVAI-MMWGEVLESA-N 3 2 197.326 0.596 20 0 ACADLP C[C@H](C[C@@H]1CCC[NH2+]1)[NH2+][C@H]1C[C@H]([NH3+])C1 906518891 582656054 /nfs/dbraw/zinc/65/60/54/582656054.db2.gz UFJDNNLBEQRVAI-CHWFTXMASA-N 3 2 197.326 0.596 20 0 ACADLP CC(C)[C@H](C[NH3+])C[NH2+][C@H]1C[C@H]([NH3+])C1 906519289 582656259 /nfs/dbraw/zinc/65/62/59/582656259.db2.gz XOXCQMJSZPLDMD-OPRDCNLKSA-N 3 2 185.315 0.297 20 0 ACADLP C[C@@H](C[C@@H]1CCC[NH2+]1)[NH2+][C@H]1C[C@H]([NH3+])C1 906518894 582656282 /nfs/dbraw/zinc/65/62/82/582656282.db2.gz UFJDNNLBEQRVAI-NAKRPEOUSA-N 3 2 197.326 0.596 20 0 ACADLP [NH3+][C@H]1CCC[C@H]([NH2+][C@H]2C[C@H]([NH3+])C2)C1 906517036 582656296 /nfs/dbraw/zinc/65/62/96/582656296.db2.gz CTJUJIPJRYICDE-XKNYDFJKSA-N 3 2 183.299 0.336 20 0 ACADLP C[C@@]1(C[NH2+][C@H]2C[C@H]([NH3+])C2)CCC[NH2+]C1 906517987 582656391 /nfs/dbraw/zinc/65/63/91/582656391.db2.gz MDLNDZNGSXBOJJ-GMTAPVOTSA-N 3 2 197.326 0.455 20 0 ACADLP CCCC[NH2+]CC[N@@H+]1CC[C@H](O)C1 906535023 582657595 /nfs/dbraw/zinc/65/75/95/582657595.db2.gz ZJFLRWHTGNDOMW-JTQLQIEISA-N 2 2 186.299 0.443 20 0 ACADLP CCCC[NH2+]CC[N@H+]1CC[C@H](O)C1 906535023 582657598 /nfs/dbraw/zinc/65/75/98/582657598.db2.gz ZJFLRWHTGNDOMW-JTQLQIEISA-N 2 2 186.299 0.443 20 0 ACADLP CCCC[NH2+]CC[N@@H+]1CC[C@@H](O)C1 906535024 582657783 /nfs/dbraw/zinc/65/77/83/582657783.db2.gz ZJFLRWHTGNDOMW-SNVBAGLBSA-N 2 2 186.299 0.443 20 0 ACADLP CCCC[NH2+]CC[N@H+]1CC[C@@H](O)C1 906535024 582657785 /nfs/dbraw/zinc/65/77/85/582657785.db2.gz ZJFLRWHTGNDOMW-SNVBAGLBSA-N 2 2 186.299 0.443 20 0 ACADLP CCO[C@H]1CCC[N@H+](C[C@H](C)[NH3+])C1 158476540 582663615 /nfs/dbraw/zinc/66/36/15/582663615.db2.gz NTTRPVHOXVGBET-UWVGGRQHSA-N 2 2 186.299 0.835 20 0 ACADLP CCO[C@H]1CCC[N@@H+](C[C@H](C)[NH3+])C1 158476540 582663619 /nfs/dbraw/zinc/66/36/19/582663619.db2.gz NTTRPVHOXVGBET-UWVGGRQHSA-N 2 2 186.299 0.835 20 0 ACADLP CC[C@@H]1CO[C@@H](C)C[N@@H+]1C[C@H](C)[NH3+] 158474050 582663807 /nfs/dbraw/zinc/66/38/07/582663807.db2.gz ZKHKXBRFEYOBJL-LPEHRKFASA-N 2 2 186.299 0.833 20 0 ACADLP CC[C@@H]1CO[C@@H](C)C[N@H+]1C[C@H](C)[NH3+] 158474050 582663811 /nfs/dbraw/zinc/66/38/11/582663811.db2.gz ZKHKXBRFEYOBJL-LPEHRKFASA-N 2 2 186.299 0.833 20 0 ACADLP C[C@H]([NH3+])C[N@H+](C)C[C@H]1CCCCO1 158474427 582663874 /nfs/dbraw/zinc/66/38/74/582663874.db2.gz BGDLLKRKQFRMGD-VHSXEESVSA-N 2 2 186.299 0.835 20 0 ACADLP C[C@H]([NH3+])C[N@@H+](C)C[C@H]1CCCCO1 158474427 582663877 /nfs/dbraw/zinc/66/38/77/582663877.db2.gz BGDLLKRKQFRMGD-VHSXEESVSA-N 2 2 186.299 0.835 20 0 ACADLP CC[N@H+](C[C@H](C)[NH3+])C[C@@H]1CCCO1 158474750 582663905 /nfs/dbraw/zinc/66/39/05/582663905.db2.gz VVBGXXMIKFFBFV-UWVGGRQHSA-N 2 2 186.299 0.835 20 0 ACADLP CC[N@@H+](C[C@H](C)[NH3+])C[C@@H]1CCCO1 158474750 582663906 /nfs/dbraw/zinc/66/39/06/582663906.db2.gz VVBGXXMIKFFBFV-UWVGGRQHSA-N 2 2 186.299 0.835 20 0 ACADLP CC[C@@H]1CO[C@H](C)C[N@@H+]1C[C@H](C)[NH3+] 158473763 582663935 /nfs/dbraw/zinc/66/39/35/582663935.db2.gz ZKHKXBRFEYOBJL-IVZWLZJFSA-N 2 2 186.299 0.833 20 0 ACADLP CC[C@@H]1CO[C@H](C)C[N@H+]1C[C@H](C)[NH3+] 158473763 582663937 /nfs/dbraw/zinc/66/39/37/582663937.db2.gz ZKHKXBRFEYOBJL-IVZWLZJFSA-N 2 2 186.299 0.833 20 0 ACADLP CC[N@H+](C[C@H](C)[NH3+])C[C@H]1CCCO1 158474888 582663991 /nfs/dbraw/zinc/66/39/91/582663991.db2.gz VVBGXXMIKFFBFV-VHSXEESVSA-N 2 2 186.299 0.835 20 0 ACADLP CC[N@@H+](C[C@H](C)[NH3+])C[C@H]1CCCO1 158474888 582663993 /nfs/dbraw/zinc/66/39/93/582663993.db2.gz VVBGXXMIKFFBFV-VHSXEESVSA-N 2 2 186.299 0.835 20 0 ACADLP CC(C)[C@](C)(C[NH3+])[NH2+]C[C@@H](C)[NH3+] 379369935 582677478 /nfs/dbraw/zinc/67/74/78/582677478.db2.gz FNEABFAGMSASAY-BDAKNGLRSA-N 3 2 173.304 0.297 20 0 ACADLP CC(C)[C@](C)(C[NH3+])[NH2+]C[C@H](C)[NH3+] 379369937 582677498 /nfs/dbraw/zinc/67/74/98/582677498.db2.gz FNEABFAGMSASAY-IUCAKERBSA-N 3 2 173.304 0.297 20 0 ACADLP CC(C)[C@@](C)(C[NH3+])[NH2+]C[C@@H](C)[NH3+] 379369938 582677538 /nfs/dbraw/zinc/67/75/38/582677538.db2.gz FNEABFAGMSASAY-RKDXNWHRSA-N 3 2 173.304 0.297 20 0 ACADLP CC(C)[C@@](C)(C[NH3+])[NH2+]C[C@H](C)[NH3+] 379369936 582677542 /nfs/dbraw/zinc/67/75/42/582677542.db2.gz FNEABFAGMSASAY-DTWKUNHWSA-N 3 2 173.304 0.297 20 0 ACADLP CC(C)[C@H](CCO)[NH2+]Cc1c[nH+]c[nH]1 164862298 582704787 /nfs/dbraw/zinc/70/47/87/582704787.db2.gz IPMWVXRMYMIUMD-JTQLQIEISA-N 2 2 197.282 0.906 20 0 ACADLP CC(C)[C@@H](CCO)[NH2+]Cc1c[nH+]c[nH]1 164862177 582705068 /nfs/dbraw/zinc/70/50/68/582705068.db2.gz IPMWVXRMYMIUMD-SNVBAGLBSA-N 2 2 197.282 0.906 20 0 ACADLP C[C@H]([NH2+]CC[NH+](C)C)C1CC1 21966893 582705880 /nfs/dbraw/zinc/70/58/80/582705880.db2.gz NYDORBDMMFIBCW-QMMMGPOBSA-N 2 2 156.273 0.936 20 0 ACADLP CC(C)[C@@H](CO)[NH2+]CCn1cc[nH+]c1 379664388 582713739 /nfs/dbraw/zinc/71/37/39/582713739.db2.gz USRDZULNCNGLCP-SNVBAGLBSA-N 2 2 197.282 0.490 20 0 ACADLP CO[C@@H]1CC[N@H+](CCn2cc[nH+]c2)C1 766246610 582827931 /nfs/dbraw/zinc/82/79/31/582827931.db2.gz DKXPIDYAPUUCNS-SNVBAGLBSA-N 2 2 195.266 0.604 20 0 ACADLP CO[C@@H]1CC[N@@H+](CCn2cc[nH+]c2)C1 766246610 582827933 /nfs/dbraw/zinc/82/79/33/582827933.db2.gz DKXPIDYAPUUCNS-SNVBAGLBSA-N 2 2 195.266 0.604 20 0 ACADLP C[C@@H](CCO)[NH2+]C[C@@H](C)[NH+](C)C 779400365 582872624 /nfs/dbraw/zinc/87/26/24/582872624.db2.gz MZTFAICAPJDTBV-DTWKUNHWSA-N 2 2 174.288 0.297 20 0 ACADLP C[C@H](CCO)[NH2+]CC(C)(C)[NH+](C)C 779381378 582872691 /nfs/dbraw/zinc/87/26/91/582872691.db2.gz JUJQIPKOSLMSCG-SECBINFHSA-N 2 2 188.315 0.687 20 0 ACADLP CC(C)[N@H+](C)CC[NH2+][C@@H](C)CCO 779345630 582872707 /nfs/dbraw/zinc/87/27/07/582872707.db2.gz RWQIAXVMSJANHI-JTQLQIEISA-N 2 2 188.315 0.687 20 0 ACADLP CC(C)[N@@H+](C)CC[NH2+][C@@H](C)CCO 779345630 582872709 /nfs/dbraw/zinc/87/27/09/582872709.db2.gz RWQIAXVMSJANHI-JTQLQIEISA-N 2 2 188.315 0.687 20 0 ACADLP C[C@@H](C[NH2+][C@H](C)CCO)[NH+](C)C 779400364 582872717 /nfs/dbraw/zinc/87/27/17/582872717.db2.gz MZTFAICAPJDTBV-BDAKNGLRSA-N 2 2 174.288 0.297 20 0 ACADLP C[C@@H](CCO)[NH2+]CC(C)(C)[NH+](C)C 779381380 582872754 /nfs/dbraw/zinc/87/27/54/582872754.db2.gz JUJQIPKOSLMSCG-VIFPVBQESA-N 2 2 188.315 0.687 20 0 ACADLP CC(C)[N@H+](C)CC[NH2+][C@H](C)CCO 779345631 582872789 /nfs/dbraw/zinc/87/27/89/582872789.db2.gz RWQIAXVMSJANHI-SNVBAGLBSA-N 2 2 188.315 0.687 20 0 ACADLP CC(C)[N@@H+](C)CC[NH2+][C@H](C)CCO 779345631 582872792 /nfs/dbraw/zinc/87/27/92/582872792.db2.gz RWQIAXVMSJANHI-SNVBAGLBSA-N 2 2 188.315 0.687 20 0 ACADLP C[C@@H](CCO)[NH2+]C[C@H](C)[NH+](C)C 779400366 582872923 /nfs/dbraw/zinc/87/29/23/582872923.db2.gz MZTFAICAPJDTBV-IUCAKERBSA-N 2 2 174.288 0.297 20 0 ACADLP C[C@H](CCO)[NH2+]C[C@@H](C)[NH+](C)C 779400367 582873018 /nfs/dbraw/zinc/87/30/18/582873018.db2.gz MZTFAICAPJDTBV-RKDXNWHRSA-N 2 2 174.288 0.297 20 0 ACADLP C[C@@H](C[NH3+])[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 848714415 583170017 /nfs/dbraw/zinc/17/00/17/583170017.db2.gz BEBFMWSUTUVUHN-DJLDLDEBSA-N 3 2 171.288 0.193 20 0 ACADLP C[C@@H](C[NH3+])[NH2+]Cc1cnc(N)s1 843125386 582941548 /nfs/dbraw/zinc/94/15/48/582941548.db2.gz AAFWYJUAZSPPGV-YFKPBYRVSA-N 2 2 186.284 0.162 20 0 ACADLP CC(C)CCC[N@H+](CC[NH3+])CCO 841059042 583112664 /nfs/dbraw/zinc/11/26/64/583112664.db2.gz KGVXITZLXIWKBB-UHFFFAOYSA-N 2 2 188.315 0.676 20 0 ACADLP CC(C)CCC[N@@H+](CC[NH3+])CCO 841059042 583112667 /nfs/dbraw/zinc/11/26/67/583112667.db2.gz KGVXITZLXIWKBB-UHFFFAOYSA-N 2 2 188.315 0.676 20 0 ACADLP C[NH2+]CC[N@H+](C)CCCCCOC 842473849 583123219 /nfs/dbraw/zinc/12/32/19/583123219.db2.gz LHRZRXJQXWMDNX-UHFFFAOYSA-N 2 2 188.315 0.954 20 0 ACADLP C[NH2+]CC[N@@H+](C)CCCCCOC 842473849 583123222 /nfs/dbraw/zinc/12/32/22/583123222.db2.gz LHRZRXJQXWMDNX-UHFFFAOYSA-N 2 2 188.315 0.954 20 0 ACADLP C[NH2+]CC[N@H+](C)CC[C@@H]1CCC[NH2+]C1 842473802 583123230 /nfs/dbraw/zinc/12/32/30/583123230.db2.gz IBZGRLHGLHNLPG-NSHDSACASA-N 3 2 199.342 0.527 20 0 ACADLP C[NH2+]CC[N@@H+](C)CC[C@@H]1CCC[NH2+]C1 842473802 583123232 /nfs/dbraw/zinc/12/32/32/583123232.db2.gz IBZGRLHGLHNLPG-NSHDSACASA-N 3 2 199.342 0.527 20 0 ACADLP CCOCC[N@@H+]1CC[C@]2(CCC[NH2+]2)C1 842478408 583123241 /nfs/dbraw/zinc/12/32/41/583123241.db2.gz VOLYXVXLDVFYLA-LLVKDONJSA-N 2 2 198.310 0.851 20 0 ACADLP CCOCC[N@H+]1CC[C@]2(CCC[NH2+]2)C1 842478408 583123245 /nfs/dbraw/zinc/12/32/45/583123245.db2.gz VOLYXVXLDVFYLA-LLVKDONJSA-N 2 2 198.310 0.851 20 0 ACADLP C[NH2+]CC[N@H+](C)CC[C@H]1CCC[NH2+]C1 842473801 583123370 /nfs/dbraw/zinc/12/33/70/583123370.db2.gz IBZGRLHGLHNLPG-LLVKDONJSA-N 3 2 199.342 0.527 20 0 ACADLP C[NH2+]CC[N@@H+](C)CC[C@H]1CCC[NH2+]C1 842473801 583123372 /nfs/dbraw/zinc/12/33/72/583123372.db2.gz IBZGRLHGLHNLPG-LLVKDONJSA-N 3 2 199.342 0.527 20 0 ACADLP CCOCC[N@@H+]1CC[C@@]2(CCC[NH2+]2)C1 842478409 583123529 /nfs/dbraw/zinc/12/35/29/583123529.db2.gz VOLYXVXLDVFYLA-NSHDSACASA-N 2 2 198.310 0.851 20 0 ACADLP CCOCC[N@H+]1CC[C@@]2(CCC[NH2+]2)C1 842478409 583123530 /nfs/dbraw/zinc/12/35/30/583123530.db2.gz VOLYXVXLDVFYLA-NSHDSACASA-N 2 2 198.310 0.851 20 0 ACADLP [NH3+]CCC[N@@H+]1CCC[C@H](C[NH3+])C1 843047823 583131405 /nfs/dbraw/zinc/13/14/05/583131405.db2.gz XIXCARJZRHZSRT-SECBINFHSA-N 3 2 171.288 0.006 20 0 ACADLP [NH3+]CCC[N@H+]1CCC[C@H](C[NH3+])C1 843047823 583131408 /nfs/dbraw/zinc/13/14/08/583131408.db2.gz XIXCARJZRHZSRT-SECBINFHSA-N 3 2 171.288 0.006 20 0 ACADLP [NH3+]CCC[N@@H+]1CCC[C@@H](C[NH3+])C1 843047824 583131648 /nfs/dbraw/zinc/13/16/48/583131648.db2.gz XIXCARJZRHZSRT-VIFPVBQESA-N 3 2 171.288 0.006 20 0 ACADLP [NH3+]CCC[N@H+]1CCC[C@@H](C[NH3+])C1 843047824 583131650 /nfs/dbraw/zinc/13/16/50/583131650.db2.gz XIXCARJZRHZSRT-VIFPVBQESA-N 3 2 171.288 0.006 20 0 ACADLP C[C@@H](C[NH3+])[NH2+]Cc1ccc(N)nc1 843125700 583132435 /nfs/dbraw/zinc/13/24/35/583132435.db2.gz FKWVBHODUVPLEK-ZETCQYMHSA-N 2 2 180.255 0.101 20 0 ACADLP C[NH2+]CC[N@H+](C)CCC1CC[NH2+]CC1 843388971 583132679 /nfs/dbraw/zinc/13/26/79/583132679.db2.gz ZLAHFBMVMDSHCU-UHFFFAOYSA-N 3 2 199.342 0.527 20 0 ACADLP C[NH2+]CC[N@@H+](C)CCC1CC[NH2+]CC1 843388971 583132680 /nfs/dbraw/zinc/13/26/80/583132680.db2.gz ZLAHFBMVMDSHCU-UHFFFAOYSA-N 3 2 199.342 0.527 20 0 ACADLP C[NH2+]CC[N@H+](C)Cc1cccc(N)c1 843388360 583132683 /nfs/dbraw/zinc/13/26/83/583132683.db2.gz MYKWZZBWBZZYFD-UHFFFAOYSA-N 2 2 193.294 0.920 20 0 ACADLP C[NH2+]CC[N@@H+](C)Cc1cccc(N)c1 843388360 583132684 /nfs/dbraw/zinc/13/26/84/583132684.db2.gz MYKWZZBWBZZYFD-UHFFFAOYSA-N 2 2 193.294 0.920 20 0 ACADLP [NH3+]CC[N@H+](CCO)CCCCCF 843367740 583132728 /nfs/dbraw/zinc/13/27/28/583132728.db2.gz JMDANBWTMITPPT-UHFFFAOYSA-N 2 2 192.278 0.379 20 0 ACADLP [NH3+]CC[N@@H+](CCO)CCCCCF 843367740 583132730 /nfs/dbraw/zinc/13/27/30/583132730.db2.gz JMDANBWTMITPPT-UHFFFAOYSA-N 2 2 192.278 0.379 20 0 ACADLP C[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](CO)C1CC1 844317174 583140744 /nfs/dbraw/zinc/14/07/44/583140744.db2.gz LFCISVHTJCWMDG-MNOVXSKESA-N 2 2 198.310 0.441 20 0 ACADLP C[N@H+]1CCC[C@@H]1C[NH2+][C@@H](CO)C1CC1 844317174 583140747 /nfs/dbraw/zinc/14/07/47/583140747.db2.gz LFCISVHTJCWMDG-MNOVXSKESA-N 2 2 198.310 0.441 20 0 ACADLP C[N@@H+]1CCC[C@@H]1C[NH2+][C@H](CO)C1CC1 844317172 583141036 /nfs/dbraw/zinc/14/10/36/583141036.db2.gz LFCISVHTJCWMDG-GHMZBOCLSA-N 2 2 198.310 0.441 20 0 ACADLP C[N@H+]1CCC[C@@H]1C[NH2+][C@H](CO)C1CC1 844317172 583141037 /nfs/dbraw/zinc/14/10/37/583141037.db2.gz LFCISVHTJCWMDG-GHMZBOCLSA-N 2 2 198.310 0.441 20 0 ACADLP C[NH2+][C@@H]1CC[N@H+](CCCCCC[NH3+])C1 846214479 583152823 /nfs/dbraw/zinc/15/28/23/583152823.db2.gz GALCGOYNFPCNQJ-LLVKDONJSA-N 3 2 199.342 0.799 20 0 ACADLP C[NH2+][C@@H]1CC[N@@H+](CCCCCC[NH3+])C1 846214479 583152824 /nfs/dbraw/zinc/15/28/24/583152824.db2.gz GALCGOYNFPCNQJ-LLVKDONJSA-N 3 2 199.342 0.799 20 0 ACADLP C[NH2+][C@H]1CC[N@H+](CCCCCC[NH3+])C1 846214481 583153439 /nfs/dbraw/zinc/15/34/39/583153439.db2.gz GALCGOYNFPCNQJ-NSHDSACASA-N 3 2 199.342 0.799 20 0 ACADLP C[NH2+][C@H]1CC[N@@H+](CCCCCC[NH3+])C1 846214481 583153440 /nfs/dbraw/zinc/15/34/40/583153440.db2.gz GALCGOYNFPCNQJ-NSHDSACASA-N 3 2 199.342 0.799 20 0 ACADLP C[NH2+]CC[N@H+](C)CCCCCC[NH3+] 846220076 583154096 /nfs/dbraw/zinc/15/40/96/583154096.db2.gz ASIYOIBYEAVCLG-UHFFFAOYSA-N 3 2 187.331 0.657 20 0 ACADLP C[NH2+]CC[N@@H+](C)CCCCCC[NH3+] 846220076 583154098 /nfs/dbraw/zinc/15/40/98/583154098.db2.gz ASIYOIBYEAVCLG-UHFFFAOYSA-N 3 2 187.331 0.657 20 0 ACADLP C[C@@H](C[NH3+])[NH2+][C@@H]1CCC[C@H]([NH3+])C1 848714416 583169953 /nfs/dbraw/zinc/16/99/53/583169953.db2.gz BEBFMWSUTUVUHN-XHNCKOQMSA-N 3 2 171.288 0.193 20 0 ACADLP C[C@@H](C[NH3+])[NH2+][C@H]1CCC[C@@H]([NH3+])C1 848714417 583169997 /nfs/dbraw/zinc/16/99/97/583169997.db2.gz BEBFMWSUTUVUHN-YIZRAAEISA-N 3 2 171.288 0.193 20 0 ACADLP C[C@@H](C[NH3+])[NH2+][C@H]1CCC[C@H]([NH3+])C1 848714381 583170113 /nfs/dbraw/zinc/17/01/13/583170113.db2.gz BEBFMWSUTUVUHN-CIUDSAMLSA-N 3 2 171.288 0.193 20 0 ACADLP CN(C)C(=[NH2+])NCCCn1cc[nH+]c1 848980452 583171486 /nfs/dbraw/zinc/17/14/86/583171486.db2.gz NFWWACOKVFJLHZ-UHFFFAOYSA-N 2 2 195.270 0.359 20 0 ACADLP [NH2+]=C(NCCn1cc[nH+]c1)N1CCC1 848981349 583171713 /nfs/dbraw/zinc/17/17/13/583171713.db2.gz GLBHLLUFVXBYBE-UHFFFAOYSA-N 2 2 193.254 0.113 20 0 ACADLP CNC(=[NH2+])NCCc1cc[nH+]cc1C 848991985 583172051 /nfs/dbraw/zinc/17/20/51/583172051.db2.gz XTICCNBEJGYYKS-UHFFFAOYSA-N 2 2 192.266 0.676 20 0 ACADLP Cc1c[nH+]ccc1CCNC(N)=[NH2+] 848991976 583172149 /nfs/dbraw/zinc/17/21/49/583172149.db2.gz XEIVXVJIEFHWCN-UHFFFAOYSA-N 2 2 178.239 0.416 20 0 ACADLP CCN(CC)C(=[NH2+])NCC[NH+]1CCC1 849014646 583175445 /nfs/dbraw/zinc/17/54/45/583175445.db2.gz IZVKXNAABPCYRG-UHFFFAOYSA-N 2 2 198.314 0.558 20 0 ACADLP Cn1c[nH+]cc1CNC(=[NH2+])N1CCC1 849029235 583177018 /nfs/dbraw/zinc/17/70/18/583177018.db2.gz LQMGUXYXKIDGRX-UHFFFAOYSA-N 2 2 193.254 0.150 20 0 ACADLP Cn1c[nH+]c(Cn2cc[nH+]c2)c1 851820480 583196647 /nfs/dbraw/zinc/19/66/47/583196647.db2.gz BIHYGJGBHQMXDZ-UHFFFAOYSA-N 2 2 162.196 0.665 20 0 ACADLP FCC[N@@H+]1CCn2c[nH+]cc2C1 852065730 583204275 /nfs/dbraw/zinc/20/42/75/583204275.db2.gz LDSYKHHCSHKRIA-UHFFFAOYSA-N 2 2 169.203 0.668 20 0 ACADLP FCC[N@H+]1CCn2c[nH+]cc2C1 852065730 583204276 /nfs/dbraw/zinc/20/42/76/583204276.db2.gz LDSYKHHCSHKRIA-UHFFFAOYSA-N 2 2 169.203 0.668 20 0 ACADLP [NH3+]CC[N@H+](CCO)CCC1CCC1 852747059 583211526 /nfs/dbraw/zinc/21/15/26/583211526.db2.gz WKNVQRNQVBELTK-UHFFFAOYSA-N 2 2 186.299 0.430 20 0 ACADLP [NH3+]CC[N@@H+](CCO)CCC1CCC1 852747059 583211529 /nfs/dbraw/zinc/21/15/29/583211529.db2.gz WKNVQRNQVBELTK-UHFFFAOYSA-N 2 2 186.299 0.430 20 0 ACADLP [NH3+][C@@]12CCC[C@@H]1C[N@@H+](CCF)C2 857084855 583260488 /nfs/dbraw/zinc/26/04/88/583260488.db2.gz CXAGHKGDDMFNCI-RKDXNWHRSA-N 2 2 172.247 0.769 20 0 ACADLP [NH3+][C@@]12CCC[C@@H]1C[N@H+](CCF)C2 857084855 583260483 /nfs/dbraw/zinc/26/04/83/583260483.db2.gz CXAGHKGDDMFNCI-RKDXNWHRSA-N 2 2 172.247 0.769 20 0 ACADLP [NH3+][C@]12CCC[C@H]1C[N@H+](CCF)C2 857084854 583260565 /nfs/dbraw/zinc/26/05/65/583260565.db2.gz CXAGHKGDDMFNCI-IUCAKERBSA-N 2 2 172.247 0.769 20 0 ACADLP [NH3+][C@]12CCC[C@H]1C[N@@H+](CCF)C2 857084854 583260568 /nfs/dbraw/zinc/26/05/68/583260568.db2.gz CXAGHKGDDMFNCI-IUCAKERBSA-N 2 2 172.247 0.769 20 0 ACADLP [NH3+][C@@]12CCC[C@H]1C[N@H+](CCF)C2 857084853 583260600 /nfs/dbraw/zinc/26/06/00/583260600.db2.gz CXAGHKGDDMFNCI-DTWKUNHWSA-N 2 2 172.247 0.769 20 0 ACADLP [NH3+][C@@]12CCC[C@H]1C[N@@H+](CCF)C2 857084853 583260604 /nfs/dbraw/zinc/26/06/04/583260604.db2.gz CXAGHKGDDMFNCI-DTWKUNHWSA-N 2 2 172.247 0.769 20 0 ACADLP [NH3+][C@]12CCC[C@@H]1C[N@H+](CCF)C2 857084852 583261005 /nfs/dbraw/zinc/26/10/05/583261005.db2.gz CXAGHKGDDMFNCI-BDAKNGLRSA-N 2 2 172.247 0.769 20 0 ACADLP [NH3+][C@]12CCC[C@@H]1C[N@@H+](CCF)C2 857084852 583261007 /nfs/dbraw/zinc/26/10/07/583261007.db2.gz CXAGHKGDDMFNCI-BDAKNGLRSA-N 2 2 172.247 0.769 20 0 ACADLP FCC[N@@H+]1CCc2[nH+]c[nH]c2C1 859308627 583278480 /nfs/dbraw/zinc/27/84/80/583278480.db2.gz YJQNGXOCMGMVAI-UHFFFAOYSA-N 2 2 169.203 0.737 20 0 ACADLP FCC[N@H+]1CCc2[nH+]c[nH]c2C1 859308627 583278483 /nfs/dbraw/zinc/27/84/83/583278483.db2.gz YJQNGXOCMGMVAI-UHFFFAOYSA-N 2 2 169.203 0.737 20 0 ACADLP C1CC2(C1)[NH2+]CC[C@@H]2[NH2+][C@H]1CCOC1 863481424 583310639 /nfs/dbraw/zinc/31/06/39/583310639.db2.gz CXQQQJIPRFTMEB-UWVGGRQHSA-N 2 2 196.294 0.650 20 0 ACADLP C[C@H]([NH3+])C[N@H+](C)CCOCC(F)F 863568616 583310761 /nfs/dbraw/zinc/31/07/61/583310761.db2.gz MKHUTOCOLBQMNH-ZETCQYMHSA-N 2 2 196.241 0.547 20 0 ACADLP C[C@H]([NH3+])C[N@@H+](C)CCOCC(F)F 863568616 583310763 /nfs/dbraw/zinc/31/07/63/583310763.db2.gz MKHUTOCOLBQMNH-ZETCQYMHSA-N 2 2 196.241 0.547 20 0 ACADLP CCOC(=O)CC[N@H+](C)C[C@H](C)[NH3+] 863566972 583310790 /nfs/dbraw/zinc/31/07/90/583310790.db2.gz AIRQXQVHKRHBEG-QMMMGPOBSA-N 2 2 188.271 0.219 20 0 ACADLP CCOC(=O)CC[N@@H+](C)C[C@H](C)[NH3+] 863566972 583310792 /nfs/dbraw/zinc/31/07/92/583310792.db2.gz AIRQXQVHKRHBEG-QMMMGPOBSA-N 2 2 188.271 0.219 20 0 ACADLP C[C@@H]([NH3+])CN(C)Cc1cc[nH+]c(N)c1 863569091 583311200 /nfs/dbraw/zinc/31/12/00/583311200.db2.gz RHOAKDXZRPIICQ-MRVPVSSYSA-N 2 2 194.282 0.443 20 0 ACADLP C[C@@H]([NH3+])C[N@H+](C)Cc1ccnc(N)c1 863569091 583311202 /nfs/dbraw/zinc/31/12/02/583311202.db2.gz RHOAKDXZRPIICQ-MRVPVSSYSA-N 2 2 194.282 0.443 20 0 ACADLP C[C@@H]([NH3+])C[N@@H+](C)Cc1ccnc(N)c1 863569091 583311204 /nfs/dbraw/zinc/31/12/04/583311204.db2.gz RHOAKDXZRPIICQ-MRVPVSSYSA-N 2 2 194.282 0.443 20 0 ACADLP C[C@@H]([NH3+])C[N@H+](C)CCOCC(F)F 863568615 583311266 /nfs/dbraw/zinc/31/12/66/583311266.db2.gz MKHUTOCOLBQMNH-SSDOTTSWSA-N 2 2 196.241 0.547 20 0 ACADLP C[C@@H]([NH3+])C[N@@H+](C)CCOCC(F)F 863568615 583311268 /nfs/dbraw/zinc/31/12/68/583311268.db2.gz MKHUTOCOLBQMNH-SSDOTTSWSA-N 2 2 196.241 0.547 20 0 ACADLP C[C@H]([NH3+])CN(C)Cc1cc[nH+]c(N)c1 863569092 583311418 /nfs/dbraw/zinc/31/14/18/583311418.db2.gz RHOAKDXZRPIICQ-QMMMGPOBSA-N 2 2 194.282 0.443 20 0 ACADLP C[C@H]([NH3+])C[N@H+](C)Cc1ccnc(N)c1 863569092 583311420 /nfs/dbraw/zinc/31/14/20/583311420.db2.gz RHOAKDXZRPIICQ-QMMMGPOBSA-N 2 2 194.282 0.443 20 0 ACADLP C[C@H]([NH3+])C[N@@H+](C)Cc1ccnc(N)c1 863569092 583311422 /nfs/dbraw/zinc/31/14/22/583311422.db2.gz RHOAKDXZRPIICQ-QMMMGPOBSA-N 2 2 194.282 0.443 20 0 ACADLP CCOC(=O)CC[N@H+](C)C[C@@H](C)[NH3+] 863566971 583311448 /nfs/dbraw/zinc/31/14/48/583311448.db2.gz AIRQXQVHKRHBEG-MRVPVSSYSA-N 2 2 188.271 0.219 20 0 ACADLP CCOC(=O)CC[N@@H+](C)C[C@@H](C)[NH3+] 863566971 583311449 /nfs/dbraw/zinc/31/14/49/583311449.db2.gz AIRQXQVHKRHBEG-MRVPVSSYSA-N 2 2 188.271 0.219 20 0 ACADLP C1CC2(C1)[NH2+]CC[C@H]2[NH2+][C@H]1CCOC1 863481425 583311489 /nfs/dbraw/zinc/31/14/89/583311489.db2.gz CXQQQJIPRFTMEB-VHSXEESVSA-N 2 2 196.294 0.650 20 0 ACADLP C[C@H]([NH3+])C[N@H+](C)Cc1ccc(N)nc1 863651760 583311656 /nfs/dbraw/zinc/31/16/56/583311656.db2.gz MBUWRASVZPDDJL-QMMMGPOBSA-N 2 2 194.282 0.443 20 0 ACADLP C[C@H]([NH3+])C[N@@H+](C)Cc1ccc(N)nc1 863651760 583311657 /nfs/dbraw/zinc/31/16/57/583311657.db2.gz MBUWRASVZPDDJL-QMMMGPOBSA-N 2 2 194.282 0.443 20 0 ACADLP C[C@@H]([NH3+])C[N@H+](C)Cc1ccc(N)nc1 863651759 583311928 /nfs/dbraw/zinc/31/19/28/583311928.db2.gz MBUWRASVZPDDJL-MRVPVSSYSA-N 2 2 194.282 0.443 20 0 ACADLP C[C@@H]([NH3+])C[N@@H+](C)Cc1ccc(N)nc1 863651759 583311931 /nfs/dbraw/zinc/31/19/31/583311931.db2.gz MBUWRASVZPDDJL-MRVPVSSYSA-N 2 2 194.282 0.443 20 0 ACADLP COCc1ccc(C[NH2+][C@@H](C)C[NH3+])o1 863642130 583312071 /nfs/dbraw/zinc/31/20/71/583312071.db2.gz RQYSOWXTLDOSOX-QMMMGPOBSA-N 2 2 198.266 0.863 20 0 ACADLP C[C@H]([NH3+])C[N@H+](C)Cc1ccn(C)c1 863652907 583312142 /nfs/dbraw/zinc/31/21/42/583312142.db2.gz YQRMACNNGYJWKS-VIFPVBQESA-N 2 2 181.283 0.804 20 0 ACADLP C[C@H]([NH3+])C[N@@H+](C)Cc1ccn(C)c1 863652907 583312143 /nfs/dbraw/zinc/31/21/43/583312143.db2.gz YQRMACNNGYJWKS-VIFPVBQESA-N 2 2 181.283 0.804 20 0 ACADLP C[C@@H]([NH3+])C[N@H+](C)Cc1ccn(C)c1 863652906 583312246 /nfs/dbraw/zinc/31/22/46/583312246.db2.gz YQRMACNNGYJWKS-SECBINFHSA-N 2 2 181.283 0.804 20 0 ACADLP C[C@@H]([NH3+])C[N@@H+](C)Cc1ccn(C)c1 863652906 583312248 /nfs/dbraw/zinc/31/22/48/583312248.db2.gz YQRMACNNGYJWKS-SECBINFHSA-N 2 2 181.283 0.804 20 0 ACADLP [NH3+]CC[N@H+](CCO)CCCC1CC1 866660087 583332380 /nfs/dbraw/zinc/33/23/80/583332380.db2.gz FAQBLNKCFPEPML-UHFFFAOYSA-N 2 2 186.299 0.430 20 0 ACADLP [NH3+]CC[N@@H+](CCO)CCCC1CC1 866660087 583332382 /nfs/dbraw/zinc/33/23/82/583332382.db2.gz FAQBLNKCFPEPML-UHFFFAOYSA-N 2 2 186.299 0.430 20 0 ACADLP C[C@@H](CCO)[NH2+][C@@H]1CC[N@@H+](C2CC2)C1 122887646 583345798 /nfs/dbraw/zinc/34/57/98/583345798.db2.gz QZRMTTAMQQJJRX-VHSXEESVSA-N 2 2 198.310 0.584 20 0 ACADLP C[C@H](CCO)[NH2+][C@@H]1CC[N@@H+](C2CC2)C1 122887888 583345197 /nfs/dbraw/zinc/34/51/97/583345197.db2.gz QZRMTTAMQQJJRX-NXEZZACHSA-N 2 2 198.310 0.584 20 0 ACADLP C[C@H](CCO)[NH2+][C@@H]1CC[N@H+](C2CC2)C1 122887888 583345198 /nfs/dbraw/zinc/34/51/98/583345198.db2.gz QZRMTTAMQQJJRX-NXEZZACHSA-N 2 2 198.310 0.584 20 0 ACADLP C[C@H](CCO)[NH2+][C@H]1CC[N@@H+](C2CC2)C1 122888350 583345574 /nfs/dbraw/zinc/34/55/74/583345574.db2.gz QZRMTTAMQQJJRX-ZJUUUORDSA-N 2 2 198.310 0.584 20 0 ACADLP C[C@H](CCO)[NH2+][C@H]1CC[N@H+](C2CC2)C1 122888350 583345577 /nfs/dbraw/zinc/34/55/77/583345577.db2.gz QZRMTTAMQQJJRX-ZJUUUORDSA-N 2 2 198.310 0.584 20 0 ACADLP C[C@@H](CCO)[NH2+][C@@H]1CC[N@H+](C2CC2)C1 122887646 583345801 /nfs/dbraw/zinc/34/58/01/583345801.db2.gz QZRMTTAMQQJJRX-VHSXEESVSA-N 2 2 198.310 0.584 20 0 ACADLP Cc1nonc1C[NH2+][C@H](C)C[C@@H](C)[NH3+] 873296026 583373949 /nfs/dbraw/zinc/37/39/49/583373949.db2.gz UJSUIFUYLQUJMX-RNFRBKRXSA-N 2 2 198.270 0.593 20 0 ACADLP Cc1nonc1C[NH2+][C@@H](C)C[C@@H](C)[NH3+] 873296027 583374266 /nfs/dbraw/zinc/37/42/66/583374266.db2.gz UJSUIFUYLQUJMX-RQJHMYQMSA-N 2 2 198.270 0.593 20 0 ACADLP Cc1nonc1C[NH2+][C@@H](C)C[C@H](C)[NH3+] 873296024 583374283 /nfs/dbraw/zinc/37/42/83/583374283.db2.gz UJSUIFUYLQUJMX-BQBZGAKWSA-N 2 2 198.270 0.593 20 0 ACADLP Cc1nonc1C[NH2+][C@H](C)C[C@H](C)[NH3+] 873296025 583374322 /nfs/dbraw/zinc/37/43/22/583374322.db2.gz UJSUIFUYLQUJMX-NKWVEPMBSA-N 2 2 198.270 0.593 20 0 ACADLP CCCC[N@H+](C)CC[NH2+]C 20072703 583376343 /nfs/dbraw/zinc/37/63/43/583376343.db2.gz NXFXRBBOFIUUGL-UHFFFAOYSA-N 2 2 144.262 0.938 20 0 ACADLP CCCC[N@@H+](C)CC[NH2+]C 20072703 583376345 /nfs/dbraw/zinc/37/63/45/583376345.db2.gz NXFXRBBOFIUUGL-UHFFFAOYSA-N 2 2 144.262 0.938 20 0 ACADLP C[C@@H](N[C@@H]1CC[NH2+]C1)c1[nH]cc[nH+]1 124707974 583377174 /nfs/dbraw/zinc/37/71/74/583377174.db2.gz CZWQYLKRTAWGBA-HTQZYQBOSA-N 2 2 180.255 0.422 20 0 ACADLP C[C@@H](N[C@H]1CC[NH2+]C1)c1[nH]cc[nH+]1 124708365 583377247 /nfs/dbraw/zinc/37/72/47/583377247.db2.gz CZWQYLKRTAWGBA-SFYZADRCSA-N 2 2 180.255 0.422 20 0 ACADLP C[C@H](N[C@H]1CC[NH2+]C1)c1[nH]cc[nH+]1 124708171 583377496 /nfs/dbraw/zinc/37/74/96/583377496.db2.gz CZWQYLKRTAWGBA-YUMQZZPRSA-N 2 2 180.255 0.422 20 0 ACADLP C[N@H+](CCF)[C@@H](C[NH3+])C1CC1 126745712 583398136 /nfs/dbraw/zinc/39/81/36/583398136.db2.gz PXMCDOQXHVPXQP-QMMMGPOBSA-N 2 2 160.236 0.625 20 0 ACADLP C[N@@H+](CCF)[C@@H](C[NH3+])C1CC1 126745712 583398137 /nfs/dbraw/zinc/39/81/37/583398137.db2.gz PXMCDOQXHVPXQP-QMMMGPOBSA-N 2 2 160.236 0.625 20 0 ACADLP C[C@H]([NH2+][C@@H]1CC[N@H+](C)C1)[C@@H]1CCOC1 133281733 583471248 /nfs/dbraw/zinc/47/12/48/583471248.db2.gz RYTMQPUUYIENSV-HBNTYKKESA-N 2 2 198.310 0.705 20 0 ACADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)C1)[C@@H]1CCOC1 133281733 583471249 /nfs/dbraw/zinc/47/12/49/583471249.db2.gz RYTMQPUUYIENSV-HBNTYKKESA-N 2 2 198.310 0.705 20 0 ACADLP CC[C@H](CO)[NH2+]CC[NH+]1CCCC1 219146576 583494739 /nfs/dbraw/zinc/49/47/39/583494739.db2.gz BTWIBUUVNLLSDM-SNVBAGLBSA-N 2 2 186.299 0.443 20 0 ACADLP CC[C@@H](CO)[NH2+]CC[NH+]1CCCC1 219146500 583496261 /nfs/dbraw/zinc/49/62/61/583496261.db2.gz BTWIBUUVNLLSDM-JTQLQIEISA-N 2 2 186.299 0.443 20 0 ACADLP c1cn(CC[N@H+]2C[C@H]3C[C@H]3C2)c[nH+]1 886345215 583496412 /nfs/dbraw/zinc/49/64/12/583496412.db2.gz UWZBCFMYFANLIH-AOOOYVTPSA-N 2 2 177.251 0.835 20 0 ACADLP c1cn(CC[N@@H+]2C[C@H]3C[C@H]3C2)c[nH+]1 886345215 583496415 /nfs/dbraw/zinc/49/64/15/583496415.db2.gz UWZBCFMYFANLIH-AOOOYVTPSA-N 2 2 177.251 0.835 20 0 ACADLP Cn1c[nH+]cc1CC[N@H+]1C[C@H]2C[C@H]2C1 886349090 583497988 /nfs/dbraw/zinc/49/79/88/583497988.db2.gz YBOSXPAOEHVENM-AOOOYVTPSA-N 2 2 191.278 0.914 20 0 ACADLP Cn1c[nH+]cc1CC[N@@H+]1C[C@H]2C[C@H]2C1 886349090 583497989 /nfs/dbraw/zinc/49/79/89/583497989.db2.gz YBOSXPAOEHVENM-AOOOYVTPSA-N 2 2 191.278 0.914 20 0 ACADLP [NH3+]C1(C[NH2+]Cc2cc[nH]n2)CCC1 886832283 583502140 /nfs/dbraw/zinc/50/21/40/583502140.db2.gz FOCBGXSVDYDFDX-UHFFFAOYSA-N 2 2 180.255 0.381 20 0 ACADLP COC1CC([NH2+]CCn2cc[nH+]c2)C1 220827130 583502258 /nfs/dbraw/zinc/50/22/58/583502258.db2.gz STNAXEMFQOPCSK-UHFFFAOYSA-N 2 2 195.266 0.650 20 0 ACADLP C[C@](C[NH3+])([NH2+]Cc1cc[nH]n1)C1CC1 886830108 583502440 /nfs/dbraw/zinc/50/24/40/583502440.db2.gz MFEDRQOXROBSNQ-SNVBAGLBSA-N 2 2 194.282 0.627 20 0 ACADLP C[C@@](C[NH3+])([NH2+]Cc1cc[nH]n1)C1CC1 886830107 583502469 /nfs/dbraw/zinc/50/24/69/583502469.db2.gz MFEDRQOXROBSNQ-JTQLQIEISA-N 2 2 194.282 0.627 20 0 ACADLP C[C@H](NCC[NH+](C)C)c1[nH]cc[nH+]1 222071566 583507316 /nfs/dbraw/zinc/50/73/16/583507316.db2.gz NBYPSJCBFMWZEE-QMMMGPOBSA-N 2 2 182.271 0.622 20 0 ACADLP C[C@H]([NH3+])C[NH+]1CCC(CO)CC1 39794726 490014344 /nfs/dbraw/zinc/01/43/44/490014344.db2.gz KZDKJDMMJXBFNJ-QMMMGPOBSA-N 2 2 172.272 0.038 20 0 ACADLP C[N@H+](C[C@@H]1CCCO1)CC(C)(C)[NH3+] 42466525 490015122 /nfs/dbraw/zinc/01/51/22/490015122.db2.gz GUGVVYKVHCMQPF-VIFPVBQESA-N 2 2 186.299 0.835 20 0 ACADLP C[N@@H+](C[C@@H]1CCCO1)CC(C)(C)[NH3+] 42466525 490015123 /nfs/dbraw/zinc/01/51/23/490015123.db2.gz GUGVVYKVHCMQPF-VIFPVBQESA-N 2 2 186.299 0.835 20 0 ACADLP Cn1cc(C[N@H+](C)CC(C)(C)[NH3+])cn1 42489406 490015241 /nfs/dbraw/zinc/01/52/41/490015241.db2.gz JKVJZKPAVUIKEY-UHFFFAOYSA-N 2 2 196.298 0.589 20 0 ACADLP Cn1cc(C[N@@H+](C)CC(C)(C)[NH3+])cn1 42489406 490015243 /nfs/dbraw/zinc/01/52/43/490015243.db2.gz JKVJZKPAVUIKEY-UHFFFAOYSA-N 2 2 196.298 0.589 20 0 ACADLP C[NH2+]CCC[N@H+](C)Cc1cnn(C)c1 42489278 490015258 /nfs/dbraw/zinc/01/52/58/490015258.db2.gz VEOCTDDMILPFBK-UHFFFAOYSA-N 2 2 196.298 0.461 20 0 ACADLP C[NH2+]CCC[N@@H+](C)Cc1cnn(C)c1 42489278 490015260 /nfs/dbraw/zinc/01/52/60/490015260.db2.gz VEOCTDDMILPFBK-UHFFFAOYSA-N 2 2 196.298 0.461 20 0 ACADLP C[N@H+](C[C@H]1CCCO1)CC(C)(C)[NH3+] 42466527 490015377 /nfs/dbraw/zinc/01/53/77/490015377.db2.gz GUGVVYKVHCMQPF-SECBINFHSA-N 2 2 186.299 0.835 20 0 ACADLP C[N@@H+](C[C@H]1CCCO1)CC(C)(C)[NH3+] 42466527 490015378 /nfs/dbraw/zinc/01/53/78/490015378.db2.gz GUGVVYKVHCMQPF-SECBINFHSA-N 2 2 186.299 0.835 20 0 ACADLP C[C@@H]1C[N@H+](CC[NH3+])CCCO1 61913114 490016405 /nfs/dbraw/zinc/01/64/05/490016405.db2.gz UKQUTYABDRZQOY-MRVPVSSYSA-N 2 2 158.245 0.056 20 0 ACADLP C[C@@H]1C[N@@H+](CC[NH3+])CCCO1 61913114 490016407 /nfs/dbraw/zinc/01/64/07/490016407.db2.gz UKQUTYABDRZQOY-MRVPVSSYSA-N 2 2 158.245 0.056 20 0 ACADLP CC(C)OCC[N@H+](C)[C@H]1CC[NH2+]C1 70896476 490017940 /nfs/dbraw/zinc/01/79/40/490017940.db2.gz GQBYUCVIIQIIAK-JTQLQIEISA-N 2 2 186.299 0.705 20 0 ACADLP CC(C)OCC[N@@H+](C)[C@H]1CC[NH2+]C1 70896476 490017945 /nfs/dbraw/zinc/01/79/45/490017945.db2.gz GQBYUCVIIQIIAK-JTQLQIEISA-N 2 2 186.299 0.705 20 0 ACADLP CC(C)OCC[N@H+](C)[C@@H]1CC[NH2+]C1 70896471 490018232 /nfs/dbraw/zinc/01/82/32/490018232.db2.gz GQBYUCVIIQIIAK-SNVBAGLBSA-N 2 2 186.299 0.705 20 0 ACADLP CC(C)OCC[N@@H+](C)[C@@H]1CC[NH2+]C1 70896471 490018236 /nfs/dbraw/zinc/01/82/36/490018236.db2.gz GQBYUCVIIQIIAK-SNVBAGLBSA-N 2 2 186.299 0.705 20 0 ACADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@H]1CCOC1 70967278 490018644 /nfs/dbraw/zinc/01/86/44/490018644.db2.gz FKVACKLGTRMJIR-ZJUUUORDSA-N 2 2 195.266 0.650 20 0 ACADLP c1cn(CCC[NH2+][C@H]2CCOC2)c[nH+]1 70965283 490018670 /nfs/dbraw/zinc/01/86/70/490018670.db2.gz IFLTVZQLGRTSPR-JTQLQIEISA-N 2 2 195.266 0.652 20 0 ACADLP C[C@@H](Cn1cc[nH+]c1)[NH2+][C@H]1CCOC1 70967275 490018676 /nfs/dbraw/zinc/01/86/76/490018676.db2.gz FKVACKLGTRMJIR-UWVGGRQHSA-N 2 2 195.266 0.650 20 0 ACADLP c1cn(CC[NH2+][C@@H]2CCOC2)c[nH+]1 70968310 490018744 /nfs/dbraw/zinc/01/87/44/490018744.db2.gz LEAOYIRUHDZOSP-SECBINFHSA-N 2 2 181.239 0.262 20 0 ACADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCOC1 70964108 490018792 /nfs/dbraw/zinc/01/87/92/490018792.db2.gz XDWJMAJQQHFHCY-MNOVXSKESA-N 2 2 198.310 0.849 20 0 ACADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCOC1 70964108 490018797 /nfs/dbraw/zinc/01/87/97/490018797.db2.gz XDWJMAJQQHFHCY-MNOVXSKESA-N 2 2 198.310 0.849 20 0 ACADLP C[C@@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CCOC1 70967268 490018881 /nfs/dbraw/zinc/01/88/81/490018881.db2.gz FKVACKLGTRMJIR-VHSXEESVSA-N 2 2 195.266 0.650 20 0 ACADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CCOC1 70967272 490018898 /nfs/dbraw/zinc/01/88/98/490018898.db2.gz FKVACKLGTRMJIR-NXEZZACHSA-N 2 2 195.266 0.650 20 0 ACADLP c1cn(CC[NH2+][C@H]2CCOC2)c[nH+]1 70968316 490018940 /nfs/dbraw/zinc/01/89/40/490018940.db2.gz LEAOYIRUHDZOSP-VIFPVBQESA-N 2 2 181.239 0.262 20 0 ACADLP c1cn(CCC[NH2+][C@@H]2CCOC2)c[nH+]1 70965275 490019054 /nfs/dbraw/zinc/01/90/54/490019054.db2.gz IFLTVZQLGRTSPR-SNVBAGLBSA-N 2 2 195.266 0.652 20 0 ACADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCOC1 70964107 490019101 /nfs/dbraw/zinc/01/91/01/490019101.db2.gz XDWJMAJQQHFHCY-GHMZBOCLSA-N 2 2 198.310 0.849 20 0 ACADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCOC1 70964107 490019103 /nfs/dbraw/zinc/01/91/03/490019103.db2.gz XDWJMAJQQHFHCY-GHMZBOCLSA-N 2 2 198.310 0.849 20 0 ACADLP COCC[NH2+]CC[NH2+]C1CC(C)C1 123561594 490028723 /nfs/dbraw/zinc/02/87/23/490028723.db2.gz MPMRPPLZYMFZOE-UHFFFAOYSA-N 2 2 186.299 0.611 20 0 ACADLP C[C@H](C[NH2+]CC1=CCCOC1)[NH+](C)C 124695325 490032248 /nfs/dbraw/zinc/03/22/48/490032248.db2.gz HKPOBZLTTFPWOO-SNVBAGLBSA-N 2 2 198.310 0.873 20 0 ACADLP C[C@@H](C[NH2+]CC1=CCCOC1)[NH+](C)C 124695098 490032290 /nfs/dbraw/zinc/03/22/90/490032290.db2.gz HKPOBZLTTFPWOO-JTQLQIEISA-N 2 2 198.310 0.873 20 0 ACADLP C[C@@H]([NH2+]Cc1c[nH+]c[nH]1)[C@@H]1CCOC1 127053452 490041013 /nfs/dbraw/zinc/04/10/13/490041013.db2.gz BUZKHTGMPBBDAU-RKDXNWHRSA-N 2 2 195.266 0.924 20 0 ACADLP C[C@H]([NH2+]Cc1c[nH+]c[nH]1)[C@@H]1CCOC1 127053211 490041471 /nfs/dbraw/zinc/04/14/71/490041471.db2.gz BUZKHTGMPBBDAU-DTWKUNHWSA-N 2 2 195.266 0.924 20 0 ACADLP C[C@H]([NH2+]Cc1c[nH+]c[nH]1)[C@H]1CCOC1 127053713 490041567 /nfs/dbraw/zinc/04/15/67/490041567.db2.gz BUZKHTGMPBBDAU-IUCAKERBSA-N 2 2 195.266 0.924 20 0 ACADLP C[C@@H]([NH2+]Cc1c[nH+]c[nH]1)[C@H]1CCOC1 127053960 490041615 /nfs/dbraw/zinc/04/16/15/490041615.db2.gz BUZKHTGMPBBDAU-BDAKNGLRSA-N 2 2 195.266 0.924 20 0 ACADLP C[C@H](O)C[NH2+][C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 128214572 490044036 /nfs/dbraw/zinc/04/40/36/490044036.db2.gz FBHASNLBLGWKQF-UTLUCORTSA-N 2 2 198.310 0.582 20 0 ACADLP C[C@H](O)C[NH2+][C@H]1C[C@@H](C)[N@H+](C2CC2)C1 128214572 490044042 /nfs/dbraw/zinc/04/40/42/490044042.db2.gz FBHASNLBLGWKQF-UTLUCORTSA-N 2 2 198.310 0.582 20 0 ACADLP C[C@H](O)C[NH2+][C@H]1C[C@H](C)[N@@H+](C2CC2)C1 128214802 490045526 /nfs/dbraw/zinc/04/55/26/490045526.db2.gz FBHASNLBLGWKQF-GUBZILKMSA-N 2 2 198.310 0.582 20 0 ACADLP 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380145043 490141356 /nfs/dbraw/zinc/14/13/56/490141356.db2.gz WNWSIUGDIIPHNH-MNOVXSKESA-N 3 2 199.342 0.655 20 0 ACADLP CC[C@H]1C[N@H+](CCC[NH2+]C)CC[C@@H]1[NH3+] 380145044 490141376 /nfs/dbraw/zinc/14/13/76/490141376.db2.gz WNWSIUGDIIPHNH-QWRGUYRKSA-N 3 2 199.342 0.655 20 0 ACADLP CC[C@H]1C[N@@H+](CCC[NH2+]C)CC[C@@H]1[NH3+] 380145044 490141381 /nfs/dbraw/zinc/14/13/81/490141381.db2.gz WNWSIUGDIIPHNH-QWRGUYRKSA-N 3 2 199.342 0.655 20 0 ACADLP C[N@@H+]1CCCN(Cc2[nH]cc[nH+]2)CC1 606268515 490165135 /nfs/dbraw/zinc/16/51/35/490165135.db2.gz QIJUFTYXZBQSLU-UHFFFAOYSA-N 2 2 194.282 0.547 20 0 ACADLP C[N@H+]1CCCN(Cc2[nH]cc[nH+]2)CC1 606268515 490165142 /nfs/dbraw/zinc/16/51/42/490165142.db2.gz QIJUFTYXZBQSLU-UHFFFAOYSA-N 2 2 194.282 0.547 20 0 ACADLP [NH3+]CC[N@@H+]1CC[C@@H]2C[C@@H]2C1 20880235 491021053 /nfs/dbraw/zinc/02/10/53/491021053.db2.gz ZWYVWTLONQNLRH-HTQZYQBOSA-N 2 2 140.230 0.287 20 0 ACADLP [NH3+]CC[N@H+]1CC[C@@H]2C[C@@H]2C1 20880235 491021054 /nfs/dbraw/zinc/02/10/54/491021054.db2.gz ZWYVWTLONQNLRH-HTQZYQBOSA-N 2 2 140.230 0.287 20 0 ACADLP CC(C)([NH3+])C[NH2+]Cc1cccnc1 34187722 491021121 /nfs/dbraw/zinc/02/11/21/491021121.db2.gz FQNGSJPAKOGLEQ-UHFFFAOYSA-N 2 2 179.267 0.909 20 0 ACADLP CC[C@H](C)[NH2+]C[C@@H]1C[N@H+](C)CCN1C 82668968 491022383 /nfs/dbraw/zinc/02/23/83/491022383.db2.gz UKFQYJPULQYXCZ-WDEREUQCSA-N 2 2 199.342 0.620 20 0 ACADLP CC[C@H](C)[NH2+]C[C@@H]1C[N@@H+](C)CCN1C 82668968 491022384 /nfs/dbraw/zinc/02/23/84/491022384.db2.gz UKFQYJPULQYXCZ-WDEREUQCSA-N 2 2 199.342 0.620 20 0 ACADLP CC(C)C[NH2+]C[C@H]1C[N@H+](C)CCN1C 82668959 491022398 /nfs/dbraw/zinc/02/23/98/491022398.db2.gz ORWQGFWQFKBOKZ-NSHDSACASA-N 2 2 199.342 0.478 20 0 ACADLP CC(C)C[NH2+]C[C@H]1C[N@@H+](C)CCN1C 82668959 491022399 /nfs/dbraw/zinc/02/23/99/491022399.db2.gz ORWQGFWQFKBOKZ-NSHDSACASA-N 2 2 199.342 0.478 20 0 ACADLP CC(C)C[NH2+]C[C@@H]1C[N@H+](C)CCN1C 82668958 491022416 /nfs/dbraw/zinc/02/24/16/491022416.db2.gz 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ACADLP CC[C@H](C)[NH2+]C[C@H]1C[N@@H+](C)CCN1C 82668970 491022446 /nfs/dbraw/zinc/02/24/46/491022446.db2.gz UKFQYJPULQYXCZ-QWRGUYRKSA-N 2 2 199.342 0.620 20 0 ACADLP Cc1[nH]c(C(=O)NCC[NH+](C)C)c[nH+]1 82268133 491021891 /nfs/dbraw/zinc/02/18/91/491021891.db2.gz FXSSAWOEQPDWFC-UHFFFAOYSA-N 2 2 196.254 0.010 20 0 ACADLP CC[C@@H](C)[NH2+]C[C@H]1C[N@H+](C)CCN1C 82668969 491022476 /nfs/dbraw/zinc/02/24/76/491022476.db2.gz UKFQYJPULQYXCZ-MNOVXSKESA-N 2 2 199.342 0.620 20 0 ACADLP CC[C@@H](C)[NH2+]C[C@H]1C[N@@H+](C)CCN1C 82668969 491022477 /nfs/dbraw/zinc/02/24/77/491022477.db2.gz UKFQYJPULQYXCZ-MNOVXSKESA-N 2 2 199.342 0.620 20 0 ACADLP C[NH+](C)CC[NH2+][C@H]1CCCOCC1 83424146 491024260 /nfs/dbraw/zinc/02/42/60/491024260.db2.gz PXPKCQMKRIZELE-JTQLQIEISA-N 2 2 186.299 0.707 20 0 ACADLP COC[C@@H]([NH2+]CC[NH+](C)C)C(C)C 83399828 491024265 /nfs/dbraw/zinc/02/42/65/491024265.db2.gz QJPQPXWZUCMUNJ-SNVBAGLBSA-N 2 2 188.315 0.809 20 0 ACADLP C[NH+](C)CC[NH2+][C@@H]1CCCOCC1 83424144 491024278 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20 0 ACADLP C[C@@H]1OCC[C@H]1[NH2+]CCn1cc[nH+]c1 133946595 491038295 /nfs/dbraw/zinc/03/82/95/491038295.db2.gz AJGYTRFDPBMDIR-VHSXEESVSA-N 2 2 195.266 0.650 20 0 ACADLP C[C@@H]1OCC[C@@H]1[NH2+]CC[NH+]1CCCC1 133954704 491038383 /nfs/dbraw/zinc/03/83/83/491038383.db2.gz GETNCUXVZREWNE-QWRGUYRKSA-N 2 2 198.310 0.849 20 0 ACADLP C[C@@H]1OCC[C@H]1[NH2+]CC[NH+]1CCCC1 133954306 491038399 /nfs/dbraw/zinc/03/83/99/491038399.db2.gz GETNCUXVZREWNE-WDEREUQCSA-N 2 2 198.310 0.849 20 0 ACADLP C[C@H]1OCC[C@@H]1[NH2+]CC[NH+]1CCCC1 133954506 491038411 /nfs/dbraw/zinc/03/84/11/491038411.db2.gz GETNCUXVZREWNE-MNOVXSKESA-N 2 2 198.310 0.849 20 0 ACADLP C[N@@H+]1CCC[C@@H]([NH2+]CC2(C)COC2)C1 134290907 491038728 /nfs/dbraw/zinc/03/87/28/491038728.db2.gz KFSOHLRNDTVELD-SNVBAGLBSA-N 2 2 198.310 0.707 20 0 ACADLP C[N@H+]1CCC[C@@H]([NH2+]CC2(C)COC2)C1 134290907 491038729 /nfs/dbraw/zinc/03/87/29/491038729.db2.gz KFSOHLRNDTVELD-SNVBAGLBSA-N 2 2 198.310 0.707 20 0 ACADLP C[N@@H+]1CCC[C@H]([NH2+]CC2(C)COC2)C1 134290930 491038733 /nfs/dbraw/zinc/03/87/33/491038733.db2.gz KFSOHLRNDTVELD-JTQLQIEISA-N 2 2 198.310 0.707 20 0 ACADLP C[N@H+]1CCC[C@H]([NH2+]CC2(C)COC2)C1 134290930 491038734 /nfs/dbraw/zinc/03/87/34/491038734.db2.gz KFSOHLRNDTVELD-JTQLQIEISA-N 2 2 198.310 0.707 20 0 ACADLP C[NH2+][C@@H]1CC[N@@H+]([C@@H](C)COC)C1 222494288 491041078 /nfs/dbraw/zinc/04/10/78/491041078.db2.gz KRBGALCSULVJOM-DTWKUNHWSA-N 2 2 172.272 0.315 20 0 ACADLP C[NH2+][C@@H]1CC[N@H+]([C@@H](C)COC)C1 222494288 491041079 /nfs/dbraw/zinc/04/10/79/491041079.db2.gz KRBGALCSULVJOM-DTWKUNHWSA-N 2 2 172.272 0.315 20 0 ACADLP CN1CC[N@H+](C)C[C@@H]1C[NH2+]CC1CC1 225319303 491042261 /nfs/dbraw/zinc/04/22/61/491042261.db2.gz QESQRVXTCNXWRQ-NSHDSACASA-N 2 2 197.326 0.232 20 0 ACADLP CN1CC[N@@H+](C)C[C@@H]1C[NH2+]CC1CC1 225319303 491042262 /nfs/dbraw/zinc/04/22/62/491042262.db2.gz QESQRVXTCNXWRQ-NSHDSACASA-N 2 2 197.326 0.232 20 0 ACADLP C[NH2+]C[C@H](C)[NH2+]Cc1cn(C)nc1C 227418910 491043724 /nfs/dbraw/zinc/04/37/24/491043724.db2.gz RUGIMDWSMOJNRB-QMMMGPOBSA-N 2 2 196.298 0.426 20 0 ACADLP C[NH2+]C[C@@H](C)[NH2+]Cc1cn(C)nc1C 227418903 491043731 /nfs/dbraw/zinc/04/37/31/491043731.db2.gz RUGIMDWSMOJNRB-MRVPVSSYSA-N 2 2 196.298 0.426 20 0 ACADLP CO[C@@H](C)[C@H](C)[NH2+]CC[NH+](C)C 229372689 491045131 /nfs/dbraw/zinc/04/51/31/491045131.db2.gz FVVIGHQAEKLGDC-IUCAKERBSA-N 2 2 174.288 0.561 20 0 ACADLP CO[C@H](C)[C@@H](C)[NH2+]CC[NH+](C)C 229372680 491045165 /nfs/dbraw/zinc/04/51/65/491045165.db2.gz FVVIGHQAEKLGDC-RKDXNWHRSA-N 2 2 174.288 0.561 20 0 ACADLP CO[C@@H](C)[C@@H](C)[NH2+]CC[NH+](C)C 229372670 491045201 /nfs/dbraw/zinc/04/52/01/491045201.db2.gz FVVIGHQAEKLGDC-BDAKNGLRSA-N 2 2 174.288 0.561 20 0 ACADLP CO[C@H](C)[C@H](C)[NH2+]CC[NH+](C)C 229372700 491045217 /nfs/dbraw/zinc/04/52/17/491045217.db2.gz FVVIGHQAEKLGDC-DTWKUNHWSA-N 2 2 174.288 0.561 20 0 ACADLP C[C@@H]([NH2+]CC[NH+](C)C)[C@@H]1CCOC1 229616230 491045502 /nfs/dbraw/zinc/04/55/02/491045502.db2.gz ZSLLIQLQXWTLFM-NXEZZACHSA-N 2 2 186.299 0.563 20 0 ACADLP C[C@@H]([NH2+]CC[NH+](C)C)[C@H]1CCOC1 229616245 491045531 /nfs/dbraw/zinc/04/55/31/491045531.db2.gz ZSLLIQLQXWTLFM-ZJUUUORDSA-N 2 2 186.299 0.563 20 0 ACADLP C[C@H]([NH2+]CC[NH+](C)C)[C@H]1CCOC1 229616253 491045556 /nfs/dbraw/zinc/04/55/56/491045556.db2.gz ZSLLIQLQXWTLFM-UWVGGRQHSA-N 2 2 186.299 0.563 20 0 ACADLP C[C@H]([NH2+]CC[NH+](C)C)[C@@H]1CCOC1 229616237 491045580 /nfs/dbraw/zinc/04/55/80/491045580.db2.gz ZSLLIQLQXWTLFM-VHSXEESVSA-N 2 2 186.299 0.563 20 0 ACADLP C[NH2+][C@H]1CC[N@H+](CC[C@H]2CCCO2)C1 250709391 491045821 /nfs/dbraw/zinc/04/58/21/491045821.db2.gz FRVKCSBBDXJUSJ-WDEREUQCSA-N 2 2 198.310 0.849 20 0 ACADLP C[NH2+][C@H]1CC[N@@H+](CC[C@H]2CCCO2)C1 250709391 491045822 /nfs/dbraw/zinc/04/58/22/491045822.db2.gz FRVKCSBBDXJUSJ-WDEREUQCSA-N 2 2 198.310 0.849 20 0 ACADLP C[NH2+][C@@H]1CC[N@H+](CC[C@H]2CCCO2)C1 250709388 491045850 /nfs/dbraw/zinc/04/58/50/491045850.db2.gz FRVKCSBBDXJUSJ-GHMZBOCLSA-N 2 2 198.310 0.849 20 0 ACADLP C[NH2+][C@@H]1CC[N@@H+](CC[C@H]2CCCO2)C1 250709388 491045851 /nfs/dbraw/zinc/04/58/51/491045851.db2.gz FRVKCSBBDXJUSJ-GHMZBOCLSA-N 2 2 198.310 0.849 20 0 ACADLP C[C@H]1C[N@H+](CCn2cc[nH+]c2)C[C@H]1O 306630464 491054030 /nfs/dbraw/zinc/05/40/30/491054030.db2.gz FHHAQHPELZTTNS-VHSXEESVSA-N 2 2 195.266 0.196 20 0 ACADLP C[C@H]1C[N@@H+](CCn2cc[nH+]c2)C[C@H]1O 306630464 491054031 /nfs/dbraw/zinc/05/40/31/491054031.db2.gz FHHAQHPELZTTNS-VHSXEESVSA-N 2 2 195.266 0.196 20 0 ACADLP C[C@@H]1C[N@H+](CCn2cc[nH+]c2)C[C@@H]1O 306630465 491054048 /nfs/dbraw/zinc/05/40/48/491054048.db2.gz FHHAQHPELZTTNS-ZJUUUORDSA-N 2 2 195.266 0.196 20 0 ACADLP C[C@@H]1C[N@@H+](CCn2cc[nH+]c2)C[C@@H]1O 306630465 491054050 /nfs/dbraw/zinc/05/40/50/491054050.db2.gz FHHAQHPELZTTNS-ZJUUUORDSA-N 2 2 195.266 0.196 20 0 ACADLP C[C@@H]1C[N@H+](CCn2cc[nH+]c2)C[C@H]1O 306630462 491054063 /nfs/dbraw/zinc/05/40/63/491054063.db2.gz FHHAQHPELZTTNS-NXEZZACHSA-N 2 2 195.266 0.196 20 0 ACADLP C[C@@H]1C[N@@H+](CCn2cc[nH+]c2)C[C@H]1O 306630462 491054065 /nfs/dbraw/zinc/05/40/65/491054065.db2.gz FHHAQHPELZTTNS-NXEZZACHSA-N 2 2 195.266 0.196 20 0 ACADLP C[C@H]1C[N@H+](CCn2cc[nH+]c2)C[C@@H]1O 306630463 491054177 /nfs/dbraw/zinc/05/41/77/491054177.db2.gz FHHAQHPELZTTNS-UWVGGRQHSA-N 2 2 195.266 0.196 20 0 ACADLP C[C@H]1C[N@@H+](CCn2cc[nH+]c2)C[C@@H]1O 306630463 491054178 /nfs/dbraw/zinc/05/41/78/491054178.db2.gz FHHAQHPELZTTNS-UWVGGRQHSA-N 2 2 195.266 0.196 20 0 ACADLP C[N@H+](C[C@@H]1CC[NH2+]C1)C1CC[NH2+]CC1 306545127 491052938 /nfs/dbraw/zinc/05/29/38/491052938.db2.gz VOYXZBHFCSKFGU-SNVBAGLBSA-N 3 2 197.326 0.280 20 0 ACADLP C[N@@H+](C[C@@H]1CC[NH2+]C1)C1CC[NH2+]CC1 306545127 491052939 /nfs/dbraw/zinc/05/29/39/491052939.db2.gz VOYXZBHFCSKFGU-SNVBAGLBSA-N 3 2 197.326 0.280 20 0 ACADLP C[N@H+](C[C@H]1CC[NH2+]C1)C1CC[NH2+]CC1 306545123 491052971 /nfs/dbraw/zinc/05/29/71/491052971.db2.gz VOYXZBHFCSKFGU-JTQLQIEISA-N 3 2 197.326 0.280 20 0 ACADLP C[N@@H+](C[C@H]1CC[NH2+]C1)C1CC[NH2+]CC1 306545123 491052972 /nfs/dbraw/zinc/05/29/72/491052972.db2.gz VOYXZBHFCSKFGU-JTQLQIEISA-N 3 2 197.326 0.280 20 0 ACADLP c1cc(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)n[nH]1 307579565 491064385 /nfs/dbraw/zinc/06/43/85/491064385.db2.gz PWBBYWGBZZFBPL-RKDXNWHRSA-N 2 2 192.266 0.061 20 0 ACADLP c1cc(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)n[nH]1 307579564 491064402 /nfs/dbraw/zinc/06/44/02/491064402.db2.gz PWBBYWGBZZFBPL-IUCAKERBSA-N 2 2 192.266 0.061 20 0 ACADLP C[C@H]([NH3+])C[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 307684533 491067679 /nfs/dbraw/zinc/06/76/79/491067679.db2.gz WFKAVEKQQGEGBH-DCAQKATOSA-N 3 2 197.326 0.394 20 0 ACADLP C[C@H]([NH3+])C[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 307684533 491067680 /nfs/dbraw/zinc/06/76/80/491067680.db2.gz WFKAVEKQQGEGBH-DCAQKATOSA-N 3 2 197.326 0.394 20 0 ACADLP C[N@H+](C[C@@H](O)C[NH+]1CCC1)C1CC1 308181777 491082921 /nfs/dbraw/zinc/08/29/21/491082921.db2.gz DEFVEYHWTRILPU-SNVBAGLBSA-N 2 2 184.283 0.147 20 0 ACADLP C[N@@H+](C[C@@H](O)C[NH+]1CCC1)C1CC1 308181777 491082922 /nfs/dbraw/zinc/08/29/22/491082922.db2.gz DEFVEYHWTRILPU-SNVBAGLBSA-N 2 2 184.283 0.147 20 0 ACADLP C[N@H+](C[C@H](O)C[NH+]1CCC1)C1CC1 308181776 491082937 /nfs/dbraw/zinc/08/29/37/491082937.db2.gz DEFVEYHWTRILPU-JTQLQIEISA-N 2 2 184.283 0.147 20 0 ACADLP C[N@@H+](C[C@H](O)C[NH+]1CCC1)C1CC1 308181776 491082939 /nfs/dbraw/zinc/08/29/39/491082939.db2.gz DEFVEYHWTRILPU-JTQLQIEISA-N 2 2 184.283 0.147 20 0 ACADLP CC[N@H+](CCO)CC[NH2+]CC1CC1 308223311 491085888 /nfs/dbraw/zinc/08/58/88/491085888.db2.gz MATLYDILQAUXAX-UHFFFAOYSA-N 2 2 186.299 0.300 20 0 ACADLP CC[N@@H+](CCO)CC[NH2+]CC1CC1 308223311 491085889 /nfs/dbraw/zinc/08/58/89/491085889.db2.gz MATLYDILQAUXAX-UHFFFAOYSA-N 2 2 186.299 0.300 20 0 ACADLP CC(C)(C)C[N@H+](CC[NH3+])CCO 308394802 491100945 /nfs/dbraw/zinc/10/09/45/491100945.db2.gz CQNCVSKCPRRDGH-UHFFFAOYSA-N 2 2 174.288 0.286 20 0 ACADLP CC(C)(C)C[N@@H+](CC[NH3+])CCO 308394802 491100947 /nfs/dbraw/zinc/10/09/47/491100947.db2.gz CQNCVSKCPRRDGH-UHFFFAOYSA-N 2 2 174.288 0.286 20 0 ACADLP COCCC[C@@H](C)[NH2+]CC[NH+](C)C 308466006 491105837 /nfs/dbraw/zinc/10/58/37/491105837.db2.gz JBZJCQPMAZWIPJ-SNVBAGLBSA-N 2 2 188.315 0.953 20 0 ACADLP COCCC[C@H](C)[NH2+]CC[NH+](C)C 308466005 491105901 /nfs/dbraw/zinc/10/59/01/491105901.db2.gz JBZJCQPMAZWIPJ-JTQLQIEISA-N 2 2 188.315 0.953 20 0 ACADLP C[NH+](CC(O)C[N@@H+](C)C1CC1)C1CC1 308483555 491106829 /nfs/dbraw/zinc/10/68/29/491106829.db2.gz IADKBHKHNSXBFO-UHFFFAOYSA-N 2 2 198.310 0.536 20 0 ACADLP C[NH+](CC(O)C[N@H+](C)C1CC1)C1CC1 308483555 491106830 /nfs/dbraw/zinc/10/68/30/491106830.db2.gz IADKBHKHNSXBFO-UHFFFAOYSA-N 2 2 198.310 0.536 20 0 ACADLP CC(C)(C)[C@@H](CO)[NH2+]Cc1c[nH+]c[nH]1 308528840 491110580 /nfs/dbraw/zinc/11/05/80/491110580.db2.gz RHGPDNJHQQSYHH-SECBINFHSA-N 2 2 197.282 0.906 20 0 ACADLP CC(C)(C)[C@H](CO)[NH2+]Cc1c[nH+]c[nH]1 308528844 491110603 /nfs/dbraw/zinc/11/06/03/491110603.db2.gz RHGPDNJHQQSYHH-VIFPVBQESA-N 2 2 197.282 0.906 20 0 ACADLP COCC(C)(C)[NH2+]CCn1cc[nH+]c1 308589780 491113235 /nfs/dbraw/zinc/11/32/35/491113235.db2.gz JXKKBQFYOAZEQC-UHFFFAOYSA-N 2 2 197.282 0.898 20 0 ACADLP C[NH+]1CCC(NCC[NH+]2CCC2)CC1 308596276 491113723 /nfs/dbraw/zinc/11/37/23/491113723.db2.gz MQEQNDASDOIKBN-UHFFFAOYSA-N 2 2 197.326 0.376 20 0 ACADLP Cc1ccc(CCC[NH2+]CCO)c[nH+]1 308730918 491118173 /nfs/dbraw/zinc/11/81/73/491118173.db2.gz JILWGCIWVJHWHG-UHFFFAOYSA-N 2 2 194.278 0.905 20 0 ACADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC1 388389400 491119454 /nfs/dbraw/zinc/11/94/54/491119454.db2.gz ASHAGNFNUBAUFY-SECBINFHSA-N 2 2 172.272 0.005 20 0 ACADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC1 388389400 491119455 /nfs/dbraw/zinc/11/94/55/491119455.db2.gz ASHAGNFNUBAUFY-SECBINFHSA-N 2 2 172.272 0.005 20 0 ACADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC1 388389401 491119508 /nfs/dbraw/zinc/11/95/08/491119508.db2.gz ASHAGNFNUBAUFY-VIFPVBQESA-N 2 2 172.272 0.005 20 0 ACADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC1 388389401 491119509 /nfs/dbraw/zinc/11/95/09/491119509.db2.gz ASHAGNFNUBAUFY-VIFPVBQESA-N 2 2 172.272 0.005 20 0 ACADLP C[N@H+](CC1CCC1)C[C@@H]1C[NH2+]CCO1 61483404 1188771825 /nfs/dbraw/zinc/77/18/25/1188771825.db2.gz JRFOUYBWZYSOSS-NSHDSACASA-N 2 2 198.310 0.707 20 0 ACADLP C[N@@H+](CC1CCC1)C[C@@H]1C[NH2+]CCO1 61483404 1188771826 /nfs/dbraw/zinc/77/18/26/1188771826.db2.gz JRFOUYBWZYSOSS-NSHDSACASA-N 2 2 198.310 0.707 20 0 ACADLP C[N@H+](CC1CCC1)C[C@H]1C[NH2+]CCO1 61483407 1188771945 /nfs/dbraw/zinc/77/19/45/1188771945.db2.gz JRFOUYBWZYSOSS-LLVKDONJSA-N 2 2 198.310 0.707 20 0 ACADLP C[N@@H+](CC1CCC1)C[C@H]1C[NH2+]CCO1 61483407 1188771949 /nfs/dbraw/zinc/77/19/49/1188771949.db2.gz JRFOUYBWZYSOSS-LLVKDONJSA-N 2 2 198.310 0.707 20 0 ACADLP C[C@@H]([NH3+])C[N@H+](C)C[C@H]1CCCCO1 158474600 1188780229 /nfs/dbraw/zinc/78/02/29/1188780229.db2.gz BGDLLKRKQFRMGD-NXEZZACHSA-N 2 2 186.299 0.835 20 0 ACADLP C[C@@H]([NH3+])C[N@@H+](C)C[C@H]1CCCCO1 158474600 1188780231 /nfs/dbraw/zinc/78/02/31/1188780231.db2.gz BGDLLKRKQFRMGD-NXEZZACHSA-N 2 2 186.299 0.835 20 0 ACADLP C[NH2+][C@@H]1CC[N@@H+]([C@@H](C)[C@@H](C)O)C1 227672047 1188788423 /nfs/dbraw/zinc/78/84/23/1188788423.db2.gz PTQBVIJUCQCOQW-DJLDLDEBSA-N 2 2 172.272 0.049 20 0 ACADLP C[NH2+][C@@H]1CC[N@H+]([C@@H](C)[C@@H](C)O)C1 227672047 1188788424 /nfs/dbraw/zinc/78/84/24/1188788424.db2.gz PTQBVIJUCQCOQW-DJLDLDEBSA-N 2 2 172.272 0.049 20 0 ACADLP C[NH2+][C@@H]1CC[N@@H+]([C@H](C)[C@H](C)O)C1 252688932 1188795521 /nfs/dbraw/zinc/79/55/21/1188795521.db2.gz PTQBVIJUCQCOQW-HRDYMLBCSA-N 2 2 172.272 0.049 20 0 ACADLP C[NH2+][C@@H]1CC[N@H+]([C@H](C)[C@H](C)O)C1 252688932 1188795524 /nfs/dbraw/zinc/79/55/24/1188795524.db2.gz PTQBVIJUCQCOQW-HRDYMLBCSA-N 2 2 172.272 0.049 20 0 ACADLP C[NH2+][C@@H]1CC[N@@H+]([C@@H](C)[C@H](C)O)C1 252688934 1188795569 /nfs/dbraw/zinc/79/55/69/1188795569.db2.gz PTQBVIJUCQCOQW-XHNCKOQMSA-N 2 2 172.272 0.049 20 0 ACADLP C[NH2+][C@@H]1CC[N@H+]([C@@H](C)[C@H](C)O)C1 252688934 1188795570 /nfs/dbraw/zinc/79/55/70/1188795570.db2.gz PTQBVIJUCQCOQW-XHNCKOQMSA-N 2 2 172.272 0.049 20 0 ACADLP C[NH2+][C@@H]1CC[N@@H+]([C@H](C)[C@@H](C)O)C1 252688933 1188795601 /nfs/dbraw/zinc/79/56/01/1188795601.db2.gz PTQBVIJUCQCOQW-IWSPIJDZSA-N 2 2 172.272 0.049 20 0 ACADLP C[NH2+][C@@H]1CC[N@H+]([C@H](C)[C@@H](C)O)C1 252688933 1188795604 /nfs/dbraw/zinc/79/56/04/1188795604.db2.gz PTQBVIJUCQCOQW-IWSPIJDZSA-N 2 2 172.272 0.049 20 0 ACADLP C[NH2+]Cc1nc([C@H]2CCC[NH2+]2)no1 257979895 1188795837 /nfs/dbraw/zinc/79/58/37/1188795837.db2.gz KVTRNNGGKODYRO-ZCFIWIBFSA-N 2 2 182.227 0.214 20 0 ACADLP C[NH2+]Cc1nc([C@@H]2CCC[NH2+]2)no1 257979892 1188795918 /nfs/dbraw/zinc/79/59/18/1188795918.db2.gz KVTRNNGGKODYRO-LURJTMIESA-N 2 2 182.227 0.214 20 0 ACADLP Cc1[nH+]c[nH]c1CNC(=O)C(C)(C)[NH3+] 306726083 1188800425 /nfs/dbraw/zinc/80/04/25/1188800425.db2.gz YOWVAASITNCMEK-UHFFFAOYSA-N 2 2 196.254 0.072 20 0 ACADLP COC1(C)C[NH+](C[C@@H]2CCC[NH2+]C2)C1 306817739 1188802488 /nfs/dbraw/zinc/80/24/88/1188802488.db2.gz DRVLAWQHQPEHDA-SNVBAGLBSA-N 2 2 198.310 0.707 20 0 ACADLP [NH3+]C1(c2noc([C@H]3CC[NH2+]3)n2)CCC1 307282626 1188807114 /nfs/dbraw/zinc/80/71/14/1188807114.db2.gz ISECFGMNQXISGY-ZCFIWIBFSA-N 2 2 194.238 0.442 20 0 ACADLP Cn1cc(C[NH2+]C(C)(C)C[NH3+])cn1 379335183 1188816583 /nfs/dbraw/zinc/81/65/83/1188816583.db2.gz SDBXVPDARRWMMH-UHFFFAOYSA-N 2 2 182.271 0.247 20 0 ACADLP C[C@@H]1C[N@H+](CC[NH3+])[C@H](C)CCO1 1579440524 1188846255 /nfs/dbraw/zinc/84/62/55/1188846255.db2.gz HTOITXILZAPRRW-RKDXNWHRSA-N 2 2 172.272 0.444 20 0 ACADLP C[C@@H]1C[N@@H+](CC[NH3+])[C@H](C)CCO1 1579440524 1188846260 /nfs/dbraw/zinc/84/62/60/1188846260.db2.gz HTOITXILZAPRRW-RKDXNWHRSA-N 2 2 172.272 0.444 20 0 ACADLP C[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1cnc[nH]1 1579460812 1188846322 /nfs/dbraw/zinc/84/63/22/1188846322.db2.gz NKYAKGVYZNWGHD-BDAKNGLRSA-N 2 2 194.282 0.355 20 0 ACADLP C[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1ncc[nH]1 1579460558 1188846471 /nfs/dbraw/zinc/84/64/71/1188846471.db2.gz ACZSHWKPBLDTSK-BDAKNGLRSA-N 2 2 194.282 0.355 20 0 ACADLP CC[C@H](O)C[N@@H+]1CC[C@H]([NH2+]C)C1 150192080 697656468 /nfs/dbraw/zinc/65/64/68/697656468.db2.gz XBYBBTHFZJCXFX-IUCAKERBSA-N 2 2 172.272 0.051 20 0 ACADLP CC[C@H](O)C[N@H+]1CC[C@H]([NH2+]C)C1 150192080 697656471 /nfs/dbraw/zinc/65/64/71/697656471.db2.gz XBYBBTHFZJCXFX-IUCAKERBSA-N 2 2 172.272 0.051 20 0 ACADLP [NH3+]C1(C[NH2+]Cc2ccccn2)CC1 218943208 697685167 /nfs/dbraw/zinc/68/51/67/697685167.db2.gz WQIWUAQAGWYFRC-UHFFFAOYSA-N 2 2 177.251 0.663 20 0 ACADLP [NH3+]C1(C[NH2+]Cc2ccncc2)CC1 218943340 697685210 /nfs/dbraw/zinc/68/52/10/697685210.db2.gz OYEWJRHRGVOOCK-UHFFFAOYSA-N 2 2 177.251 0.663 20 0 ACADLP [NH3+]C1(C[NH2+]Cc2cccnc2)CC1 218943278 697685246 /nfs/dbraw/zinc/68/52/46/697685246.db2.gz YJRFHOIIOKYROW-UHFFFAOYSA-N 2 2 177.251 0.663 20 0 ACADLP CCCCC[N@H+](CC[NH3+])CCO 222823239 697687038 /nfs/dbraw/zinc/68/70/38/697687038.db2.gz IFPXFDXVYRNGIV-UHFFFAOYSA-N 2 2 174.288 0.430 20 0 ACADLP CCCCC[N@@H+](CC[NH3+])CCO 222823239 697687041 /nfs/dbraw/zinc/68/70/41/697687041.db2.gz IFPXFDXVYRNGIV-UHFFFAOYSA-N 2 2 174.288 0.430 20 0 ACADLP Cc1cnccc1C[NH2+][C@@H](C)C[NH3+] 235139711 697706740 /nfs/dbraw/zinc/70/67/40/697706740.db2.gz GRKWEPZGTMGCBD-VIFPVBQESA-N 2 2 179.267 0.827 20 0 ACADLP C[C@@H](CCO)[NH2+]CCn1cc[nH+]c1 379286322 697803299 /nfs/dbraw/zinc/80/32/99/697803299.db2.gz LITZKNBKRHRGPZ-VIFPVBQESA-N 2 2 183.255 0.244 20 0 ACADLP C[C@H](CCO)[NH2+]CCn1cc[nH+]c1 379286319 697803319 /nfs/dbraw/zinc/80/33/19/697803319.db2.gz LITZKNBKRHRGPZ-SECBINFHSA-N 2 2 183.255 0.244 20 0 ACADLP C[C@@H](CCO)[NH2+][C@@H](C)C[NH+](C)C 379315131 697808860 /nfs/dbraw/zinc/80/88/60/697808860.db2.gz AITQXOASCFDDAM-IUCAKERBSA-N 2 2 174.288 0.297 20 0 ACADLP C[C@@H](C[NH+](C)C)[NH2+][C@H](C)CCO 379315130 697809067 /nfs/dbraw/zinc/80/90/67/697809067.db2.gz AITQXOASCFDDAM-BDAKNGLRSA-N 2 2 174.288 0.297 20 0 ACADLP C[NH+](C)C[C@@H]1CC[N@H+](CCF)C1 379329240 697823646 /nfs/dbraw/zinc/82/36/46/697823646.db2.gz TZZTVWGLMHQSFZ-VIFPVBQESA-N 2 2 174.263 0.839 20 0 ACADLP C[NH+](C)C[C@H]1CC[N@H+](CCF)C1 379329239 697823466 /nfs/dbraw/zinc/82/34/66/697823466.db2.gz TZZTVWGLMHQSFZ-SECBINFHSA-N 2 2 174.263 0.839 20 0 ACADLP C[NH+](C)C[C@H]1CC[N@@H+](CCF)C1 379329239 697823471 /nfs/dbraw/zinc/82/34/71/697823471.db2.gz TZZTVWGLMHQSFZ-SECBINFHSA-N 2 2 174.263 0.839 20 0 ACADLP C[NH+](C)C[C@@H]1CC[N@@H+](CCF)C1 379329240 697823649 /nfs/dbraw/zinc/82/36/49/697823649.db2.gz TZZTVWGLMHQSFZ-VIFPVBQESA-N 2 2 174.263 0.839 20 0 ACADLP C[C@@H]([NH3+])CN(C)Cc1c[nH+]cn1C 379344591 697833368 /nfs/dbraw/zinc/83/33/68/697833368.db2.gz AORDOSAZUUNJMI-MRVPVSSYSA-N 2 2 182.271 0.199 20 0 ACADLP C[C@H]([NH3+])CN(C)Cc1c[nH+]cn1C 379344592 697833391 /nfs/dbraw/zinc/83/33/91/697833391.db2.gz AORDOSAZUUNJMI-QMMMGPOBSA-N 2 2 182.271 0.199 20 0 ACADLP [NH3+]CC(C[NH3+])NCC1CCCC1 379357208 697838595 /nfs/dbraw/zinc/83/85/95/697838595.db2.gz QUJDIUITGBRVML-UHFFFAOYSA-N 2 2 171.288 0.052 20 0 ACADLP NCC(C[NH3+])[NH2+]CC1CCCC1 379357208 697838598 /nfs/dbraw/zinc/83/85/98/697838598.db2.gz QUJDIUITGBRVML-UHFFFAOYSA-N 2 2 171.288 0.052 20 0 ACADLP CCCCCCNC(C[NH3+])C[NH3+] 379367430 697846022 /nfs/dbraw/zinc/84/60/22/697846022.db2.gz UZCDBNOCECYUFJ-UHFFFAOYSA-N 2 2 173.304 0.442 20 0 ACADLP [NH3+]CC(C[NH3+])NCCC1CCCC1 379595868 697903588 /nfs/dbraw/zinc/90/35/88/697903588.db2.gz DZSVNJKZGIWZNY-UHFFFAOYSA-N 2 2 185.315 0.442 20 0 ACADLP C[NH2+]CC[N@H+](C)CC(C)(C)COC 379618078 697905501 /nfs/dbraw/zinc/90/55/01/697905501.db2.gz AWIXWCKBQSISAY-UHFFFAOYSA-N 2 2 188.315 0.810 20 0 ACADLP C[NH2+]CC[N@@H+](C)CC(C)(C)COC 379618078 697905503 /nfs/dbraw/zinc/90/55/03/697905503.db2.gz AWIXWCKBQSISAY-UHFFFAOYSA-N 2 2 188.315 0.810 20 0 ACADLP C[NH2+]CCC[N@@H+]1CCC[C@@H](C[NH3+])C1 379647753 697907924 /nfs/dbraw/zinc/90/79/24/697907924.db2.gz ZYYZXHFUHNXGLP-JTQLQIEISA-N 3 2 185.315 0.267 20 0 ACADLP C[NH2+]CCC[N@H+]1CCC[C@@H](C[NH3+])C1 379647753 697907926 /nfs/dbraw/zinc/90/79/26/697907926.db2.gz ZYYZXHFUHNXGLP-JTQLQIEISA-N 3 2 185.315 0.267 20 0 ACADLP C[NH2+]CCC[N@@H+]1CCC[C@H](C[NH3+])C1 379647754 697907967 /nfs/dbraw/zinc/90/79/67/697907967.db2.gz ZYYZXHFUHNXGLP-SNVBAGLBSA-N 3 2 185.315 0.267 20 0 ACADLP C[NH2+]CCC[N@H+]1CCC[C@H](C[NH3+])C1 379647754 697907970 /nfs/dbraw/zinc/90/79/70/697907970.db2.gz ZYYZXHFUHNXGLP-SNVBAGLBSA-N 3 2 185.315 0.267 20 0 ACADLP CC[NH2+]Cc1nc([C@H]2CCC[NH2+]2)no1 380290095 697911098 /nfs/dbraw/zinc/91/10/98/697911098.db2.gz BIQZATJILIAWMK-SSDOTTSWSA-N 2 2 196.254 0.604 20 0 ACADLP CC[NH2+]Cc1nc([C@@H]2CCC[NH2+]2)no1 380290103 697911527 /nfs/dbraw/zinc/91/15/27/697911527.db2.gz BIQZATJILIAWMK-ZETCQYMHSA-N 2 2 196.254 0.604 20 0 ACADLP C[NH2+]CC[N@H+](C)CCCOC(C)C 382833423 697925186 /nfs/dbraw/zinc/92/51/86/697925186.db2.gz CEKIKFGXMLLRAJ-UHFFFAOYSA-N 2 2 188.315 0.953 20 0 ACADLP C[NH2+]CC[N@@H+](C)CCCOC(C)C 382833423 697925187 /nfs/dbraw/zinc/92/51/87/697925187.db2.gz CEKIKFGXMLLRAJ-UHFFFAOYSA-N 2 2 188.315 0.953 20 0 ACADLP CC[C@H](O)C[N@H+](C)[C@@H](C)C[NH3+] 383021312 697926189 /nfs/dbraw/zinc/92/61/89/697926189.db2.gz QPTNIZDAGCTTCI-YUMQZZPRSA-N 2 2 160.261 0.036 20 0 ACADLP CC[C@H](O)C[N@@H+](C)[C@@H](C)C[NH3+] 383021312 697926192 /nfs/dbraw/zinc/92/61/92/697926192.db2.gz QPTNIZDAGCTTCI-YUMQZZPRSA-N 2 2 160.261 0.036 20 0 ACADLP CC[C@H](O)C[N@H+](C)[C@H](C)C[NH3+] 383021311 697926269 /nfs/dbraw/zinc/92/62/69/697926269.db2.gz QPTNIZDAGCTTCI-SFYZADRCSA-N 2 2 160.261 0.036 20 0 ACADLP CC[C@H](O)C[N@@H+](C)[C@H](C)C[NH3+] 383021311 697926273 /nfs/dbraw/zinc/92/62/73/697926273.db2.gz QPTNIZDAGCTTCI-SFYZADRCSA-N 2 2 160.261 0.036 20 0 ACADLP C[C@@H](C[NH3+])[NH2+]Cc1cccc(O)c1 383941165 697926605 /nfs/dbraw/zinc/92/66/05/697926605.db2.gz LTMPCYMQPWVEBR-QMMMGPOBSA-N 2 2 180.251 0.829 20 0 ACADLP CCOCCC[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]21 385408554 697934392 /nfs/dbraw/zinc/93/43/92/697934392.db2.gz YKMGESBOZSLWHQ-MNOVXSKESA-N 2 2 198.310 0.707 20 0 ACADLP CCOCCC[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]21 385408554 697934394 /nfs/dbraw/zinc/93/43/94/697934394.db2.gz YKMGESBOZSLWHQ-MNOVXSKESA-N 2 2 198.310 0.707 20 0 ACADLP CCn1ccnc1C[NH2+]C1CC([NH3+])C1 385461896 697934608 /nfs/dbraw/zinc/93/46/08/697934608.db2.gz KZTMZCLEVGRZNF-UHFFFAOYSA-N 2 2 194.282 0.482 20 0 ACADLP CC[C@H](CO)[NH2+]CCn1cc[nH+]c1 388577768 697973232 /nfs/dbraw/zinc/97/32/32/697973232.db2.gz CKLIPLXAZJPNEQ-SECBINFHSA-N 2 2 183.255 0.244 20 0 ACADLP CC[C@@H](CO)[NH2+]CCn1cc[nH+]c1 388577770 697973292 /nfs/dbraw/zinc/97/32/92/697973292.db2.gz CKLIPLXAZJPNEQ-VIFPVBQESA-N 2 2 183.255 0.244 20 0 ACADLP COC(=O)CCC[N@H+](C)C[C@@H](C)[NH3+] 388800231 697996909 /nfs/dbraw/zinc/99/69/09/697996909.db2.gz OJVURUVSJZCZHZ-MRVPVSSYSA-N 2 2 188.271 0.219 20 0 ACADLP COC(=O)CCC[N@@H+](C)C[C@@H](C)[NH3+] 388800231 697996912 /nfs/dbraw/zinc/99/69/12/697996912.db2.gz OJVURUVSJZCZHZ-MRVPVSSYSA-N 2 2 188.271 0.219 20 0 ACADLP COC(=O)CCC[N@H+](C)C[C@H](C)[NH3+] 388800232 697996970 /nfs/dbraw/zinc/99/69/70/697996970.db2.gz OJVURUVSJZCZHZ-QMMMGPOBSA-N 2 2 188.271 0.219 20 0 ACADLP COC(=O)CCC[N@@H+](C)C[C@H](C)[NH3+] 388800232 697996972 /nfs/dbraw/zinc/99/69/72/697996972.db2.gz OJVURUVSJZCZHZ-QMMMGPOBSA-N 2 2 188.271 0.219 20 0 ACADLP OC[C@@H]([NH2+]CCn1cc[nH+]c1)C1CC1 389343471 698008834 /nfs/dbraw/zinc/00/88/34/698008834.db2.gz ZCOFZIWIRMATJO-SNVBAGLBSA-N 2 2 195.266 0.244 20 0 ACADLP OC[C@H]([NH2+]CCn1cc[nH+]c1)C1CC1 389343469 698009163 /nfs/dbraw/zinc/00/91/63/698009163.db2.gz ZCOFZIWIRMATJO-JTQLQIEISA-N 2 2 195.266 0.244 20 0 ACADLP Cn1cc(C[NH2+]CCC(C)(C)[NH3+])nn1 389821946 698010980 /nfs/dbraw/zinc/01/09/80/698010980.db2.gz LFVDLAFQJPIVIQ-UHFFFAOYSA-N 2 2 197.286 0.032 20 0 ACADLP [NH3+]C[C@H]1C[N@H+](CCCC2CC2)CCO1 394468181 698030470 /nfs/dbraw/zinc/03/04/70/698030470.db2.gz AXTPMJZIZTXVSC-NSHDSACASA-N 2 2 198.310 0.836 20 0 ACADLP [NH3+]C[C@H]1C[N@@H+](CCCC2CC2)CCO1 394468181 698030473 /nfs/dbraw/zinc/03/04/73/698030473.db2.gz AXTPMJZIZTXVSC-NSHDSACASA-N 2 2 198.310 0.836 20 0 ACADLP [NH3+]C[C@@H]1C[N@H+](CCCC2CC2)CCO1 394468180 698031089 /nfs/dbraw/zinc/03/10/89/698031089.db2.gz AXTPMJZIZTXVSC-LLVKDONJSA-N 2 2 198.310 0.836 20 0 ACADLP [NH3+]C[C@@H]1C[N@@H+](CCCC2CC2)CCO1 394468180 698031090 /nfs/dbraw/zinc/03/10/90/698031090.db2.gz AXTPMJZIZTXVSC-LLVKDONJSA-N 2 2 198.310 0.836 20 0 ACADLP COCCC[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]21 395329735 698034403 /nfs/dbraw/zinc/03/44/03/698034403.db2.gz FHQZWZKKLWVTAM-ZJUUUORDSA-N 2 2 184.283 0.317 20 0 ACADLP COCCC[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]21 395329735 698034405 /nfs/dbraw/zinc/03/44/05/698034405.db2.gz FHQZWZKKLWVTAM-ZJUUUORDSA-N 2 2 184.283 0.317 20 0 ACADLP CCOCC[NH2+][C@H]1CCC[NH2+][C@@H]1C 396563853 698036225 /nfs/dbraw/zinc/03/62/25/698036225.db2.gz UXQQGXGJGMMOBS-ZJUUUORDSA-N 2 2 186.299 0.753 20 0 ACADLP CCOCC[NH2+][C@H]1CCC[NH2+][C@H]1C 396563849 698036257 /nfs/dbraw/zinc/03/62/57/698036257.db2.gz UXQQGXGJGMMOBS-UWVGGRQHSA-N 2 2 186.299 0.753 20 0 ACADLP CCOCC[NH2+][C@@H]1CCC[NH2+][C@@H]1C 396563847 698036378 /nfs/dbraw/zinc/03/63/78/698036378.db2.gz UXQQGXGJGMMOBS-NXEZZACHSA-N 2 2 186.299 0.753 20 0 ACADLP CCOCC[NH2+][C@@H]1CCC[NH2+][C@H]1C 396563851 698036616 /nfs/dbraw/zinc/03/66/16/698036616.db2.gz UXQQGXGJGMMOBS-VHSXEESVSA-N 2 2 186.299 0.753 20 0 ACADLP CC[C@@H](CO)[NH2+][C@@H]1CCC[NH2+][C@H]1C 396648142 698037260 /nfs/dbraw/zinc/03/72/60/698037260.db2.gz RPGKKSQTUIJNKK-LPEHRKFASA-N 2 2 186.299 0.487 20 0 ACADLP COCC[NH2+][C@H]1CCC[NH2+][C@@H]1C 396708069 698037390 /nfs/dbraw/zinc/03/73/90/698037390.db2.gz KSCSVUGNMGUIAY-BDAKNGLRSA-N 2 2 172.272 0.363 20 0 ACADLP CC[C@@H](CO)[NH2+][C@H]1CCC[NH2+][C@H]1C 396648139 698037492 /nfs/dbraw/zinc/03/74/92/698037492.db2.gz RPGKKSQTUIJNKK-GUBZILKMSA-N 2 2 186.299 0.487 20 0 ACADLP CC[C@@H](CO)[NH2+][C@@H]1CCC[NH2+][C@@H]1C 396648141 698037537 /nfs/dbraw/zinc/03/75/37/698037537.db2.gz RPGKKSQTUIJNKK-KXUCPTDWSA-N 2 2 186.299 0.487 20 0 ACADLP COCC[NH2+][C@H]1CCC[NH2+][C@H]1C 396708071 698037614 /nfs/dbraw/zinc/03/76/14/698037614.db2.gz KSCSVUGNMGUIAY-IUCAKERBSA-N 2 2 172.272 0.363 20 0 ACADLP CC[C@@H](CO)[NH2+][C@H]1CCC[NH2+][C@@H]1C 396648144 698037850 /nfs/dbraw/zinc/03/78/50/698037850.db2.gz RPGKKSQTUIJNKK-UTLUCORTSA-N 2 2 186.299 0.487 20 0 ACADLP COCC[NH2+][C@@H]1CCC[NH2+][C@@H]1C 396708072 698037950 /nfs/dbraw/zinc/03/79/50/698037950.db2.gz KSCSVUGNMGUIAY-RKDXNWHRSA-N 2 2 172.272 0.363 20 0 ACADLP COCC[NH2+][C@@H]1CCC[NH2+][C@H]1C 396708070 698037977 /nfs/dbraw/zinc/03/79/77/698037977.db2.gz KSCSVUGNMGUIAY-DTWKUNHWSA-N 2 2 172.272 0.363 20 0 ACADLP C[N@@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2CCCO 717427769 698064000 /nfs/dbraw/zinc/06/40/00/698064000.db2.gz WFVCSYHLRFFLQL-WDEREUQCSA-N 2 2 198.310 0.537 20 0 ACADLP C[N@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2CCCO 717427769 698064005 /nfs/dbraw/zinc/06/40/05/698064005.db2.gz WFVCSYHLRFFLQL-WDEREUQCSA-N 2 2 198.310 0.537 20 0 ACADLP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@@H+]2CCCO 717427769 698064012 /nfs/dbraw/zinc/06/40/12/698064012.db2.gz WFVCSYHLRFFLQL-WDEREUQCSA-N 2 2 198.310 0.537 20 0 ACADLP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@H+]2CCCO 717427769 698064016 /nfs/dbraw/zinc/06/40/16/698064016.db2.gz WFVCSYHLRFFLQL-WDEREUQCSA-N 2 2 198.310 0.537 20 0 ACADLP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]C/C=C/CO 717436983 698064036 /nfs/dbraw/zinc/06/40/36/698064036.db2.gz BVYGFDHJNJBNJS-AQHVTNBVSA-N 2 2 184.283 0.265 20 0 ACADLP C[C@@H](O)C[N@H+]1[C@H]2CC[C@@H]1CC[NH+](C)C2 717425947 698064085 /nfs/dbraw/zinc/06/40/85/698064085.db2.gz OQHOWSQZASGNAN-MXWKQRLJSA-N 2 2 198.310 0.536 20 0 ACADLP C[C@@H](O)C[N@@H+]1[C@H]2CC[C@@H]1CC[NH+](C)C2 717425947 698064089 /nfs/dbraw/zinc/06/40/89/698064089.db2.gz OQHOWSQZASGNAN-MXWKQRLJSA-N 2 2 198.310 0.536 20 0 ACADLP C[C@@H](O)C[NH+]1[C@H]2CC[C@@H]1CC[N@@H+](C)C2 717425947 698064095 /nfs/dbraw/zinc/06/40/95/698064095.db2.gz OQHOWSQZASGNAN-MXWKQRLJSA-N 2 2 198.310 0.536 20 0 ACADLP C[C@@H](O)C[NH+]1[C@H]2CC[C@@H]1CC[N@H+](C)C2 717425947 698064096 /nfs/dbraw/zinc/06/40/96/698064096.db2.gz OQHOWSQZASGNAN-MXWKQRLJSA-N 2 2 198.310 0.536 20 0 ACADLP C[N@@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2CCO 717425476 698064230 /nfs/dbraw/zinc/06/42/30/698064230.db2.gz LWTHKVSCIHIBEX-VHSXEESVSA-N 2 2 184.283 0.147 20 0 ACADLP C[N@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2CCO 717425476 698064235 /nfs/dbraw/zinc/06/42/35/698064235.db2.gz LWTHKVSCIHIBEX-VHSXEESVSA-N 2 2 184.283 0.147 20 0 ACADLP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@@H+]2CCO 717425476 698064239 /nfs/dbraw/zinc/06/42/39/698064239.db2.gz LWTHKVSCIHIBEX-VHSXEESVSA-N 2 2 184.283 0.147 20 0 ACADLP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@H+]2CCO 717425476 698064244 /nfs/dbraw/zinc/06/42/44/698064244.db2.gz LWTHKVSCIHIBEX-VHSXEESVSA-N 2 2 184.283 0.147 20 0 ACADLP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]C/C=C\CO 717436985 698064452 /nfs/dbraw/zinc/06/44/52/698064452.db2.gz BVYGFDHJNJBNJS-YLBDSCSXSA-N 2 2 184.283 0.265 20 0 ACADLP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]C/C=C\CO 717436982 698064461 /nfs/dbraw/zinc/06/44/61/698064461.db2.gz BVYGFDHJNJBNJS-ADLDAWLNSA-N 2 2 184.283 0.265 20 0 ACADLP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]C/C=C/CO 717436984 698064488 /nfs/dbraw/zinc/06/44/88/698064488.db2.gz BVYGFDHJNJBNJS-MDCNRGEUSA-N 2 2 184.283 0.265 20 0 ACADLP Cc1nc(N[C@@H]2C[NH2+]C[C@H]2C)cc[nH+]1 721860373 698070338 /nfs/dbraw/zinc/07/03/38/698070338.db2.gz YFQFLKVRGNAHJX-VXNVDRBHSA-N 2 2 192.266 0.805 20 0 ACADLP CCn1c[nH+]c2c1CCN(CC[NH3+])C2 923556214 698171510 /nfs/dbraw/zinc/17/15/10/698171510.db2.gz FDSDYIQAAKTPFW-UHFFFAOYSA-N 2 2 194.282 0.220 20 0 ACADLP C1=CCC(C[NH2+][C@@H]2C[NH2+]CCOC2)C1 925722456 698175549 /nfs/dbraw/zinc/17/55/49/698175549.db2.gz IQIVQRSVUPGEJI-LLVKDONJSA-N 2 2 196.294 0.531 20 0 ACADLP C1=CCC(C[NH2+][C@H]2C[NH2+]CCOC2)C1 925722457 698175978 /nfs/dbraw/zinc/17/59/78/698175978.db2.gz IQIVQRSVUPGEJI-NSHDSACASA-N 2 2 196.294 0.531 20 0 ACADLP C1C[C@@H]([NH2+]CC23CC(CO2)C3)C[NH2+]1 527533202 325647110 /nfs/dbraw/zinc/64/71/10/325647110.db2.gz RRLXWVMJPHMXJE-HWOCKDDLSA-N 2 2 182.267 0.117 20 0 ACADLP C1C[C@H]([NH2+]CC23CC(CO2)C3)C[NH2+]1 527533205 325647122 /nfs/dbraw/zinc/64/71/22/325647122.db2.gz RRLXWVMJPHMXJE-KYHHOPLUSA-N 2 2 182.267 0.117 20 0 ACADLP CCC(CC)[NH2+][C@H]1C[NH2+]CC[C@@H]1O 536954876 325670527 /nfs/dbraw/zinc/67/05/27/325670527.db2.gz NGLJMSMRNCYRQA-UWVGGRQHSA-N 2 2 186.299 0.487 20 0 ACADLP Cc1cc(N2CC[NH2+][C@@H](C)C2)nc[nH+]1 52783541 132192035 /nfs/dbraw/zinc/19/20/35/132192035.db2.gz QOOJOJBJMZWEMW-VIFPVBQESA-N 2 2 192.266 0.583 20 0 ACADLP Cc1cc(N2CC[NH2+][C@H](C)C2)nc[nH+]1 52783540 132192153 /nfs/dbraw/zinc/19/21/53/132192153.db2.gz QOOJOJBJMZWEMW-SECBINFHSA-N 2 2 192.266 0.583 20 0 ACADLP Cc1nc(N2CC[NH2+]C[C@H]2C)cc[nH+]1 54936911 132192638 /nfs/dbraw/zinc/19/26/38/132192638.db2.gz VYHOCFYYVUJOHP-MRVPVSSYSA-N 2 2 192.266 0.583 20 0 ACADLP Cc1nc(N2CCC[C@@H]([NH3+])C2)cc[nH+]1 54936811 132192714 /nfs/dbraw/zinc/19/27/14/132192714.db2.gz BIGMLRUZOABFIF-SECBINFHSA-N 2 2 192.266 0.713 20 0 ACADLP Cc1nc(N2CC[NH2+]C[C@@H]2C)cc[nH+]1 54936908 132192722 /nfs/dbraw/zinc/19/27/22/132192722.db2.gz VYHOCFYYVUJOHP-QMMMGPOBSA-N 2 2 192.266 0.583 20 0 ACADLP Cc1cc(N2CC[NH2+]C[C@@H]2C)nc[nH+]1 54375381 132192787 /nfs/dbraw/zinc/19/27/87/132192787.db2.gz ANMAJNVXZAKVEL-VIFPVBQESA-N 2 2 192.266 0.583 20 0 ACADLP Cc1nc(N2CC[NH2+][C@@H](C)C2)cc[nH+]1 54935537 132192904 /nfs/dbraw/zinc/19/29/04/132192904.db2.gz KAQZCLCHCWZGAE-QMMMGPOBSA-N 2 2 192.266 0.583 20 0 ACADLP Cc1cc(N2CC[NH2+]C[C@H]2C)nc[nH+]1 54375383 132192931 /nfs/dbraw/zinc/19/29/31/132192931.db2.gz ANMAJNVXZAKVEL-SECBINFHSA-N 2 2 192.266 0.583 20 0 ACADLP Cc1nc(N2CCC[C@H]([NH3+])C2)cc[nH+]1 54936809 132193047 /nfs/dbraw/zinc/19/30/47/132193047.db2.gz BIGMLRUZOABFIF-VIFPVBQESA-N 2 2 192.266 0.713 20 0 ACADLP Cc1nc(N2CC[NH2+][C@H](C)C2)cc[nH+]1 54935535 132193094 /nfs/dbraw/zinc/19/30/94/132193094.db2.gz KAQZCLCHCWZGAE-MRVPVSSYSA-N 2 2 192.266 0.583 20 0 ACADLP CCc1nc(N2CC[NH2+]CC2)cc[nH+]1 60174934 132193703 /nfs/dbraw/zinc/19/37/03/132193703.db2.gz MCHHEAIWMOESOU-UHFFFAOYSA-N 2 2 192.266 0.449 20 0 ACADLP Cc1n[nH]cc1C[NH2+]CCC[NH+](C)C 36901526 343154004 /nfs/dbraw/zinc/15/40/04/343154004.db2.gz ALZPVYHVYKAEMT-UHFFFAOYSA-N 2 2 196.298 0.759 20 0 ACADLP C[C@H](C[NH3+])[N@H+](C)C[C@@H]1CCCCO1 42463752 343243871 /nfs/dbraw/zinc/24/38/71/343243871.db2.gz ISRMLIONAHLNIJ-ZJUUUORDSA-N 2 2 186.299 0.835 20 0 ACADLP C[N@@H+]1CC[C@H]([NH2+]C2CCOCC2)C1 42545483 343245586 /nfs/dbraw/zinc/24/55/86/343245586.db2.gz HOPHZIOKGSGCAC-JTQLQIEISA-N 2 2 184.283 0.459 20 0 ACADLP C[N@H+]1CC[C@H]([NH2+]C2CCOCC2)C1 42545483 343245587 /nfs/dbraw/zinc/24/55/87/343245587.db2.gz HOPHZIOKGSGCAC-JTQLQIEISA-N 2 2 184.283 0.459 20 0 ACADLP CC[C@@H]1C[N@H+](C[C@@H]2CC[NH2+]C2)CCO1 51889498 343295414 /nfs/dbraw/zinc/29/54/14/343295414.db2.gz YVYRBGHEMGHAPB-GHMZBOCLSA-N 2 2 198.310 0.707 20 0 ACADLP CC[C@@H]1C[N@@H+](C[C@@H]2CC[NH2+]C2)CCO1 51889498 343295415 /nfs/dbraw/zinc/29/54/15/343295415.db2.gz YVYRBGHEMGHAPB-GHMZBOCLSA-N 2 2 198.310 0.707 20 0 ACADLP CC[C@H]1C[N@H+](C[C@@H]2CC[NH2+]C2)CCO1 51889499 343295399 /nfs/dbraw/zinc/29/53/99/343295399.db2.gz YVYRBGHEMGHAPB-MNOVXSKESA-N 2 2 198.310 0.707 20 0 ACADLP CC[C@H]1C[N@@H+](C[C@@H]2CC[NH2+]C2)CCO1 51889499 343295400 /nfs/dbraw/zinc/29/54/00/343295400.db2.gz YVYRBGHEMGHAPB-MNOVXSKESA-N 2 2 198.310 0.707 20 0 ACADLP Cc1nc(NCCC[NH3+])cc[nH+]1 54935530 343332007 /nfs/dbraw/zinc/33/20/07/343332007.db2.gz UNNMENBHNUMUFS-UHFFFAOYSA-N 2 2 166.228 0.546 20 0 ACADLP Cc1[nH+]cccc1N1CC[NH2+]CC1 85728238 343647174 /nfs/dbraw/zinc/64/71/74/343647174.db2.gz SVXLBHKEDZEXCZ-UHFFFAOYSA-N 2 2 177.251 0.800 20 0 ACADLP C[C@@]1(C[NH2+][C@H]2CCC[NH2+]C2)CCCO1 87234461 343658679 /nfs/dbraw/zinc/65/86/79/343658679.db2.gz XBMNTUCTCVGRMO-QWRGUYRKSA-N 2 2 198.310 0.897 20 0 ACADLP C[C@]1(C[NH2+][C@H]2CCC[NH2+]C2)CCCO1 87234458 343659028 /nfs/dbraw/zinc/65/90/28/343659028.db2.gz XBMNTUCTCVGRMO-WDEREUQCSA-N 2 2 198.310 0.897 20 0 ACADLP C1CC[C@@H](C[NH2+][C@H]2CC[NH2+]C2)OC1 86729434 343654275 /nfs/dbraw/zinc/65/42/75/343654275.db2.gz RBNUBEKWFRZVNN-UWVGGRQHSA-N 2 2 184.283 0.507 20 0 ACADLP Cn1cc(C[N@H+](C)C2CC([NH3+])C2)cn1 87653330 343662657 /nfs/dbraw/zinc/66/26/57/343662657.db2.gz BBTXLJPBEORHBY-UHFFFAOYSA-N 2 2 194.282 0.342 20 0 ACADLP Cn1cc(C[N@@H+](C)C2CC([NH3+])C2)cn1 87653330 343662658 /nfs/dbraw/zinc/66/26/58/343662658.db2.gz BBTXLJPBEORHBY-UHFFFAOYSA-N 2 2 194.282 0.342 20 0 ACADLP c1cc(C[N@@H+]2C[C@@H]3C[NH2+]C[C@@H]3C2)on1 88287722 343669862 /nfs/dbraw/zinc/66/98/62/343669862.db2.gz CQFTWFRMKCLYMZ-DTORHVGOSA-N 2 2 193.250 0.326 20 0 ACADLP c1cc(C[N@H+]2C[C@@H]3C[NH2+]C[C@@H]3C2)on1 88287722 343669863 /nfs/dbraw/zinc/66/98/63/343669863.db2.gz CQFTWFRMKCLYMZ-DTORHVGOSA-N 2 2 193.250 0.326 20 0 ACADLP [NH3+]CC[NH+](C1CC1)C1CC1 101786177 343725289 /nfs/dbraw/zinc/72/52/89/343725289.db2.gz GSXOUDROMOIPHQ-UHFFFAOYSA-N 2 2 140.230 0.572 20 0 ACADLP C1CC1[NH2+][C@H]1C[NH+]2CCC1CC2 20440181 166085059 /nfs/dbraw/zinc/08/50/59/166085059.db2.gz BGHAYKTWSUNIJA-JTQLQIEISA-N 2 2 166.268 0.833 20 0 ACADLP C1CC1[NH2+][C@@H]1C[NH+]2CCC1CC2 20440177 166086410 /nfs/dbraw/zinc/08/64/10/166086410.db2.gz BGHAYKTWSUNIJA-SNVBAGLBSA-N 2 2 166.268 0.833 20 0 ACADLP C1CCC([NH2+]C[C@@H]2C[NH2+]CCO2)CC1 43802404 166086674 /nfs/dbraw/zinc/08/66/74/166086674.db2.gz YMVCCAHYWBOPMW-NSHDSACASA-N 2 2 198.310 0.897 20 0 ACADLP C1CCC([NH2+]C[C@H]2C[NH2+]CCO2)C1 43802455 166087027 /nfs/dbraw/zinc/08/70/27/166087027.db2.gz QTLABLXAYKJACO-SNVBAGLBSA-N 2 2 184.283 0.507 20 0 ACADLP C1CCC([NH2+]C[C@H]2C[NH2+]CCO2)CC1 43802406 166087384 /nfs/dbraw/zinc/08/73/84/166087384.db2.gz YMVCCAHYWBOPMW-LLVKDONJSA-N 2 2 198.310 0.897 20 0 ACADLP C1CCC([NH2+]C[C@@H]2C[NH2+]CCO2)C1 43802453 166088627 /nfs/dbraw/zinc/08/86/27/166088627.db2.gz QTLABLXAYKJACO-JTQLQIEISA-N 2 2 184.283 0.507 20 0 ACADLP C1CC[C@@H](C[NH2+][C@H]2CCC[NH2+]C2)OC1 43327658 166091135 /nfs/dbraw/zinc/09/11/35/166091135.db2.gz JZQJHZCDKRKDMZ-QWRGUYRKSA-N 2 2 198.310 0.897 20 0 ACADLP C1CC[C@@H](C[NH2+][C@@H]2CCC[NH2+]C2)OC1 43327656 166091779 /nfs/dbraw/zinc/09/17/79/166091779.db2.gz JZQJHZCDKRKDMZ-MNOVXSKESA-N 2 2 198.310 0.897 20 0 ACADLP C1CC[NH+](CC[NH2+]C2CCOCC2)C1 36304267 166092909 /nfs/dbraw/zinc/09/29/09/166092909.db2.gz JIGPXLSSOWEMKY-UHFFFAOYSA-N 2 2 198.310 0.851 20 0 ACADLP C1CC[C@]2(CC[NH2+]2)[NH2+]C1 91690574 166093870 /nfs/dbraw/zinc/09/38/70/166093870.db2.gz CCZSNYQDQKCBNM-ZETCQYMHSA-N 2 2 126.203 0.450 20 0 ACADLP C1CC[C@H](C[NH2+][C@@H]2CCC[NH2+]C2)OC1 43327657 166094543 /nfs/dbraw/zinc/09/45/43/166094543.db2.gz JZQJHZCDKRKDMZ-GHMZBOCLSA-N 2 2 198.310 0.897 20 0 ACADLP C1CC[C@H](C[NH2+][C@H]2CCC[NH2+]C2)OC1 43327659 166095054 /nfs/dbraw/zinc/09/50/54/166095054.db2.gz JZQJHZCDKRKDMZ-WDEREUQCSA-N 2 2 198.310 0.897 20 0 ACADLP C1CC[C@@]2(CC[NH2+]2)[NH2+]C1 91690573 166095121 /nfs/dbraw/zinc/09/51/21/166095121.db2.gz CCZSNYQDQKCBNM-SSDOTTSWSA-N 2 2 126.203 0.450 20 0 ACADLP C1C[NH2+]C[C@H](C[NH2+][C@@H]2CCC[NH2+]C2)C1 257859967 166096693 /nfs/dbraw/zinc/09/66/93/166096693.db2.gz QTVPZAQXFUMHBU-GHMZBOCLSA-N 3 2 197.326 0.328 20 0 ACADLP C1C[NH2+][C@]2(C1)CC[NH2+]2 91690598 166097363 /nfs/dbraw/zinc/09/73/63/166097363.db2.gz JMOFHLFLIQJPAI-LURJTMIESA-N 2 2 112.176 0.059 20 0 ACADLP C1C[NH2+][C@@H](C[N@@H+]2CCCOCC2)C1 61918649 166097405 /nfs/dbraw/zinc/09/74/05/166097405.db2.gz WLLIUEPGWPOHCO-SNVBAGLBSA-N 2 2 184.283 0.461 20 0 ACADLP C1C[NH2+][C@@H](C[N@H+]2CCCOCC2)C1 61918649 166097406 /nfs/dbraw/zinc/09/74/06/166097406.db2.gz WLLIUEPGWPOHCO-SNVBAGLBSA-N 2 2 184.283 0.461 20 0 ACADLP C1C[NH2+][C@@]2(C1)CC[NH2+]2 91690596 166097502 /nfs/dbraw/zinc/09/75/02/166097502.db2.gz JMOFHLFLIQJPAI-ZCFIWIBFSA-N 2 2 112.176 0.059 20 0 ACADLP C1C[NH2+]C[C@H]([NH2+]C[C@H]2CCCO2)C1 43324386 166098590 /nfs/dbraw/zinc/09/85/90/166098590.db2.gz GBIPLWUJHJDDNT-NXEZZACHSA-N 2 2 184.283 0.507 20 0 ACADLP C1CO[C@H](C[NH2+][C@@H]2CCC[NH2+]C2)C1 43324382 166101850 /nfs/dbraw/zinc/10/18/50/166101850.db2.gz GBIPLWUJHJDDNT-ZJUUUORDSA-N 2 2 184.283 0.507 20 0 ACADLP C[C@@H]1OCC[C@@H]1[NH2+][C@@H]1CC[NH2+]C1 133448922 343918895 /nfs/dbraw/zinc/91/88/95/343918895.db2.gz WQHOLDGBWMDKHR-YIZRAAEISA-N 2 2 170.256 0.115 20 0 ACADLP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1ccno1 133613029 343923336 /nfs/dbraw/zinc/92/33/36/343923336.db2.gz POPQFJRJXDMOPT-RKDXNWHRSA-N 2 2 195.266 0.986 20 0 ACADLP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1Cc1ccno1 133613029 343923337 /nfs/dbraw/zinc/92/33/37/343923337.db2.gz POPQFJRJXDMOPT-RKDXNWHRSA-N 2 2 195.266 0.986 20 0 ACADLP CC(C)(C)C[NH2+]C[C@H]1C[NH2+]CCO1 43802494 166353502 /nfs/dbraw/zinc/35/35/02/166353502.db2.gz WFUYYPVKTANFFJ-SECBINFHSA-N 2 2 186.299 0.611 20 0 ACADLP CC(C)(C)C[NH2+]C[C@@H]1C[NH2+]CCO1 43802491 166355146 /nfs/dbraw/zinc/35/51/46/166355146.db2.gz WFUYYPVKTANFFJ-VIFPVBQESA-N 2 2 186.299 0.611 20 0 ACADLP CC(C)(C)[NH2+]CC[N@@H+]1CC[C@@H](O)C1 61711439 166365023 /nfs/dbraw/zinc/36/50/23/166365023.db2.gz KZEVCBWBWUWCRB-SECBINFHSA-N 2 2 186.299 0.441 20 0 ACADLP CC(C)(C)[NH2+]CC[N@H+]1CC[C@@H](O)C1 61711439 166365025 /nfs/dbraw/zinc/36/50/25/166365025.db2.gz KZEVCBWBWUWCRB-SECBINFHSA-N 2 2 186.299 0.441 20 0 ACADLP CC(C)(C)[NH2+]CC[N@@H+]1CC[C@H](O)C1 61711438 166366729 /nfs/dbraw/zinc/36/67/29/166366729.db2.gz KZEVCBWBWUWCRB-VIFPVBQESA-N 2 2 186.299 0.441 20 0 ACADLP CC(C)(C)[NH2+]CC[N@H+]1CC[C@H](O)C1 61711438 166366732 /nfs/dbraw/zinc/36/67/32/166366732.db2.gz KZEVCBWBWUWCRB-VIFPVBQESA-N 2 2 186.299 0.441 20 0 ACADLP CC(C)(CO)[NH2+]Cc1c[nH+]c[nH]1 54763825 166396693 /nfs/dbraw/zinc/39/66/93/166396693.db2.gz VZXZBIDRNKQNKD-UHFFFAOYSA-N 2 2 169.228 0.270 20 0 ACADLP CCCc1cc(NCC[NH3+])nc[nH+]1 41043432 167101366 /nfs/dbraw/zinc/10/13/66/167101366.db2.gz NUUAGQIDXGEYOE-UHFFFAOYSA-N 2 2 180.255 0.800 20 0 ACADLP CCCn1c[nH+]c(CC[NH3+])c1 39080404 167122924 /nfs/dbraw/zinc/12/29/24/167122924.db2.gz SYTHNTKHAXQGAJ-UHFFFAOYSA-N 2 2 153.229 0.794 20 0 in-vitro ACADLP CC[NH+](CC)CCNCc1[nH]cc[nH+]1 22861633 167166158 /nfs/dbraw/zinc/16/61/58/167166158.db2.gz ONLSCUBHFXMYBR-UHFFFAOYSA-N 2 2 196.298 0.841 20 0 ACADLP CC[N@H+](CC[NH3+])C[C@H]1CCCO1 42290354 167182590 /nfs/dbraw/zinc/18/25/90/167182590.db2.gz UMDYSTWXMIYNHK-SECBINFHSA-N 2 2 172.272 0.446 20 0 ACADLP CC[N@@H+](CC[NH3+])C[C@H]1CCCO1 42290354 167182592 /nfs/dbraw/zinc/18/25/92/167182592.db2.gz UMDYSTWXMIYNHK-SECBINFHSA-N 2 2 172.272 0.446 20 0 ACADLP CC[N@H+](CCO)CCn1cc[nH+]c1 49754720 167182866 /nfs/dbraw/zinc/18/28/66/167182866.db2.gz PMNHDOSTDUWQSH-UHFFFAOYSA-N 2 2 183.255 0.197 20 0 ACADLP CC[N@@H+](CCO)CCn1cc[nH+]c1 49754720 167182868 /nfs/dbraw/zinc/18/28/68/167182868.db2.gz PMNHDOSTDUWQSH-UHFFFAOYSA-N 2 2 183.255 0.197 20 0 ACADLP CC[N@H+](CC[NH3+])Cc1ccncc1 42373595 167183223 /nfs/dbraw/zinc/18/32/23/167183223.db2.gz UPNIZXMYOHQKSU-UHFFFAOYSA-N 2 2 179.267 0.862 20 0 ACADLP CC[N@@H+](CC[NH3+])Cc1ccncc1 42373595 167183226 /nfs/dbraw/zinc/18/32/26/167183226.db2.gz UPNIZXMYOHQKSU-UHFFFAOYSA-N 2 2 179.267 0.862 20 0 ACADLP CC[N@H+](CC[NH3+])C[C@H]1CCCCO1 42373598 167183409 /nfs/dbraw/zinc/18/34/09/167183409.db2.gz KIFBTEXHPQOXIB-SNVBAGLBSA-N 2 2 186.299 0.836 20 0 ACADLP CC[N@@H+](CC[NH3+])C[C@H]1CCCCO1 42373598 167183412 /nfs/dbraw/zinc/18/34/12/167183412.db2.gz KIFBTEXHPQOXIB-SNVBAGLBSA-N 2 2 186.299 0.836 20 0 ACADLP CC[N@H+](CC[NH3+])[C@H](C)COC 42739945 167184273 /nfs/dbraw/zinc/18/42/73/167184273.db2.gz WUEAPEQUVZJZBA-MRVPVSSYSA-N 2 2 160.261 0.302 20 0 ACADLP CC[N@@H+](CC[NH3+])[C@H](C)COC 42739945 167184275 /nfs/dbraw/zinc/18/42/75/167184275.db2.gz WUEAPEQUVZJZBA-MRVPVSSYSA-N 2 2 160.261 0.302 20 0 ACADLP CC[N@H+](CCO)CC[NH2+]C(C)(C)C 42409691 167184335 /nfs/dbraw/zinc/18/43/35/167184335.db2.gz FWMDCOOOHDICDS-UHFFFAOYSA-N 2 2 188.315 0.689 20 0 ACADLP CC[N@@H+](CCO)CC[NH2+]C(C)(C)C 42409691 167184338 /nfs/dbraw/zinc/18/43/38/167184338.db2.gz FWMDCOOOHDICDS-UHFFFAOYSA-N 2 2 188.315 0.689 20 0 ACADLP CC[N@H+](CC[NH3+])CCn1cccn1 49313938 167184614 /nfs/dbraw/zinc/18/46/14/167184614.db2.gz ARIBERAQPPAVJE-UHFFFAOYSA-N 2 2 182.271 0.164 20 0 ACADLP CC[N@@H+](CC[NH3+])CCn1cccn1 49313938 167184620 /nfs/dbraw/zinc/18/46/20/167184620.db2.gz ARIBERAQPPAVJE-UHFFFAOYSA-N 2 2 182.271 0.164 20 0 ACADLP CC[N@H+](CCO)CCCn1cc[nH+]c1 50105319 167186180 /nfs/dbraw/zinc/18/61/80/167186180.db2.gz LVUSCGIHHPSYGN-UHFFFAOYSA-N 2 2 197.282 0.587 20 0 ACADLP CC[N@@H+](CCO)CCCn1cc[nH+]c1 50105319 167186183 /nfs/dbraw/zinc/18/61/83/167186183.db2.gz LVUSCGIHHPSYGN-UHFFFAOYSA-N 2 2 197.282 0.587 20 0 ACADLP CC[N@H+](CC[NH3+])[C@@H](C)COC 42739943 167186377 /nfs/dbraw/zinc/18/63/77/167186377.db2.gz WUEAPEQUVZJZBA-QMMMGPOBSA-N 2 2 160.261 0.302 20 0 ACADLP CC[N@@H+](CC[NH3+])[C@@H](C)COC 42739943 167186382 /nfs/dbraw/zinc/18/63/82/167186382.db2.gz WUEAPEQUVZJZBA-QMMMGPOBSA-N 2 2 160.261 0.302 20 0 ACADLP CC[N@H+](CC[NH3+])C[C@@H]1CCCCO1 42373597 167186522 /nfs/dbraw/zinc/18/65/22/167186522.db2.gz KIFBTEXHPQOXIB-JTQLQIEISA-N 2 2 186.299 0.836 20 0 ACADLP CC[N@@H+](CC[NH3+])C[C@@H]1CCCCO1 42373597 167186524 /nfs/dbraw/zinc/18/65/24/167186524.db2.gz KIFBTEXHPQOXIB-JTQLQIEISA-N 2 2 186.299 0.836 20 0 ACADLP CC[N@H+](CC[NH3+])C[C@@H]1CCCO1 42290351 167186531 /nfs/dbraw/zinc/18/65/31/167186531.db2.gz UMDYSTWXMIYNHK-VIFPVBQESA-N 2 2 172.272 0.446 20 0 ACADLP CC[N@@H+](CC[NH3+])C[C@@H]1CCCO1 42290351 167186532 /nfs/dbraw/zinc/18/65/32/167186532.db2.gz UMDYSTWXMIYNHK-VIFPVBQESA-N 2 2 172.272 0.446 20 0 ACADLP CC[N@@H+](C[C@@H]1CCCO1)C[C@@H](C)[NH3+] 42308832 167194034 /nfs/dbraw/zinc/19/40/34/167194034.db2.gz VVBGXXMIKFFBFV-ZJUUUORDSA-N 2 2 186.299 0.835 20 0 ACADLP CC[N@H+](C[C@@H]1CCCO1)C[C@@H](C)[NH3+] 42308832 167194037 /nfs/dbraw/zinc/19/40/37/167194037.db2.gz VVBGXXMIKFFBFV-ZJUUUORDSA-N 2 2 186.299 0.835 20 0 ACADLP CC[NH+]1CCC([N@H+](C)CCC[NH3+])CC1 42614698 167203975 /nfs/dbraw/zinc/20/39/75/167203975.db2.gz QSDRYCNFVRYEFD-UHFFFAOYSA-N 3 2 199.342 0.751 20 0 ACADLP CC[NH+]1CCC([N@@H+](C)CCC[NH3+])CC1 42614698 167203977 /nfs/dbraw/zinc/20/39/77/167203977.db2.gz QSDRYCNFVRYEFD-UHFFFAOYSA-N 3 2 199.342 0.751 20 0 ACADLP CC[NH+]1CCC([NH2+]CCN(C)C)CC1 21959660 167204309 /nfs/dbraw/zinc/20/43/09/167204309.db2.gz SSUODOFKBZBWCQ-UHFFFAOYSA-N 2 2 199.342 0.622 20 0 ACADLP CC[NH+]1CCN(c2[nH+]ccn2C)CC1 336554336 167213839 /nfs/dbraw/zinc/21/38/39/167213839.db2.gz YDTAMZJDMHMQAC-UHFFFAOYSA-N 2 2 194.282 0.562 20 0 ACADLP CC[NH+]1CCN(Cc2[nH]cc[nH+]2)CC1 336510639 167214941 /nfs/dbraw/zinc/21/49/41/167214941.db2.gz VWDNATHIVISFLY-UHFFFAOYSA-N 2 2 194.282 0.547 20 0 ACADLP CC[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 335914293 167219050 /nfs/dbraw/zinc/21/90/50/167219050.db2.gz IIUURUMOUNURDH-LLVKDONJSA-N 2 2 198.310 0.660 20 0 ACADLP CC[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 335914293 167219055 /nfs/dbraw/zinc/21/90/55/167219055.db2.gz IIUURUMOUNURDH-LLVKDONJSA-N 2 2 198.310 0.660 20 0 ACADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCO 306167544 167221737 /nfs/dbraw/zinc/22/17/37/167221737.db2.gz DISGAOLQMXXJPE-MNOVXSKESA-N 2 2 198.310 0.537 20 0 ACADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCO 306167544 167221738 /nfs/dbraw/zinc/22/17/38/167221738.db2.gz DISGAOLQMXXJPE-MNOVXSKESA-N 2 2 198.310 0.537 20 0 ACADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCO 306167544 167221741 /nfs/dbraw/zinc/22/17/41/167221741.db2.gz DISGAOLQMXXJPE-MNOVXSKESA-N 2 2 198.310 0.537 20 0 ACADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2CCO 306167544 167221742 /nfs/dbraw/zinc/22/17/42/167221742.db2.gz DISGAOLQMXXJPE-MNOVXSKESA-N 2 2 198.310 0.537 20 0 ACADLP CC[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 335914294 167225364 /nfs/dbraw/zinc/22/53/64/167225364.db2.gz IIUURUMOUNURDH-NSHDSACASA-N 2 2 198.310 0.660 20 0 ACADLP CC[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 335914294 167225367 /nfs/dbraw/zinc/22/53/67/167225367.db2.gz IIUURUMOUNURDH-NSHDSACASA-N 2 2 198.310 0.660 20 0 ACADLP CC[N@@H+]1C[C@@H]([NH3+])[C@H](c2cnn(C)c2)C1 335281792 167226131 /nfs/dbraw/zinc/22/61/31/167226131.db2.gz YHNFGRYVIKKVIQ-VHSXEESVSA-N 2 2 194.282 0.167 20 0 ACADLP CC[N@H+]1C[C@@H]([NH3+])[C@H](c2cnn(C)c2)C1 335281792 167226133 /nfs/dbraw/zinc/22/61/33/167226133.db2.gz YHNFGRYVIKKVIQ-VHSXEESVSA-N 2 2 194.282 0.167 20 0 ACADLP CCNC(=[NH2+])NCCCn1cc[nH+]c1 52041517 167231652 /nfs/dbraw/zinc/23/16/52/167231652.db2.gz GYONZINXWDAQPM-UHFFFAOYSA-N 2 2 195.270 0.407 20 0 ACADLP CCNC(=[NH2+])NCCn1cc[nH+]c1 52043386 167231897 /nfs/dbraw/zinc/23/18/97/167231897.db2.gz KRXMDDYOYLPDQQ-UHFFFAOYSA-N 2 2 181.243 0.017 20 0 ACADLP CC[NH2+]C(C)(C)C[NH+](C)C 61299636 167257048 /nfs/dbraw/zinc/25/70/48/167257048.db2.gz UUQADHJEHNHDIN-UHFFFAOYSA-N 2 2 144.262 0.936 20 0 ACADLP CC[NH2+]CC[NH2+]C1CC1 39712247 167266074 /nfs/dbraw/zinc/26/60/74/167266074.db2.gz BEPNWXVPYMSDPD-UHFFFAOYSA-N 2 2 128.219 0.348 20 0 ACADLP CC[NH2+]CC[NH+]1CC=CC1 100545771 167266287 /nfs/dbraw/zinc/26/62/87/167266287.db2.gz OAHVYIRRVWMMMB-UHFFFAOYSA-N 2 2 140.230 0.468 20 0 in-vitro ACADLP CC[NH2+]Cc1c[nH+]c[nH]1 54762831 167274332 /nfs/dbraw/zinc/27/43/32/167274332.db2.gz XNLRNDUNAWNDTC-UHFFFAOYSA-N 2 2 125.175 0.519 20 0 ACADLP CC[NH2+][C@@H]1CC[N@H+](CC)C1 34237966 167291294 /nfs/dbraw/zinc/29/12/94/167291294.db2.gz YNDDQVCZRACCTJ-MRVPVSSYSA-N 2 2 142.246 0.690 20 0 in-vitro ACADLP CC[NH2+][C@@H]1CC[N@@H+](CC)C1 34237966 167291297 /nfs/dbraw/zinc/29/12/97/167291297.db2.gz YNDDQVCZRACCTJ-MRVPVSSYSA-N 2 2 142.246 0.690 20 0 in-vitro ACADLP CC[NH2+][C@H]1CC[N@H+](CC)C1 34237967 167301307 /nfs/dbraw/zinc/30/13/07/167301307.db2.gz YNDDQVCZRACCTJ-QMMMGPOBSA-N 2 2 142.246 0.690 20 0 in-vitro ACADLP CC[NH2+][C@H]1CC[N@@H+](CC)C1 34237967 167301309 /nfs/dbraw/zinc/30/13/09/167301309.db2.gz YNDDQVCZRACCTJ-QMMMGPOBSA-N 2 2 142.246 0.690 20 0 in-vitro ACADLP CCOC1CC[NH+](C[C@H](C)[NH3+])CC1 42277311 167381956 /nfs/dbraw/zinc/38/19/56/167381956.db2.gz KRWWDJNQYWZBMP-VIFPVBQESA-N 2 2 186.299 0.835 20 0 ACADLP CCOC1CC[NH+](C[C@@H](C)[NH3+])CC1 42277308 167382960 /nfs/dbraw/zinc/38/29/60/167382960.db2.gz KRWWDJNQYWZBMP-SECBINFHSA-N 2 2 186.299 0.835 20 0 ACADLP CCOC1CC[NH+](CC[NH3+])CC1 22779230 167383588 /nfs/dbraw/zinc/38/35/88/167383588.db2.gz NTXMTIVWFHQXTI-UHFFFAOYSA-N 2 2 172.272 0.446 20 0 ACADLP CCOCCC[N@@H+]1CC[C@@H]([NH3+])C1 37241843 167385717 /nfs/dbraw/zinc/38/57/17/167385717.db2.gz ZLDBTNXXVNSHFA-SECBINFHSA-N 2 2 172.272 0.446 20 0 ACADLP CCOCCC[N@H+]1CC[C@@H]([NH3+])C1 37241843 167385720 /nfs/dbraw/zinc/38/57/20/167385720.db2.gz ZLDBTNXXVNSHFA-SECBINFHSA-N 2 2 172.272 0.446 20 0 ACADLP CCOCCC[N@@H+]1CC[C@H]([NH3+])C1 37241841 167385929 /nfs/dbraw/zinc/38/59/29/167385929.db2.gz ZLDBTNXXVNSHFA-VIFPVBQESA-N 2 2 172.272 0.446 20 0 ACADLP CCOCCC[N@H+]1CC[C@H]([NH3+])C1 37241841 167385930 /nfs/dbraw/zinc/38/59/30/167385930.db2.gz ZLDBTNXXVNSHFA-VIFPVBQESA-N 2 2 172.272 0.446 20 0 ACADLP CCOCCC[N@H+](C)CC[NH3+] 49804741 167385954 /nfs/dbraw/zinc/38/59/54/167385954.db2.gz QBFCXUDPQVKYSC-UHFFFAOYSA-N 2 2 160.261 0.304 20 0 ACADLP CCOCCC[N@@H+](C)CC[NH3+] 49804741 167385956 /nfs/dbraw/zinc/38/59/56/167385956.db2.gz QBFCXUDPQVKYSC-UHFFFAOYSA-N 2 2 160.261 0.304 20 0 ACADLP CCOCC[N@@H+]1CC[C@@H]([NH3+])C1 36229714 167388458 /nfs/dbraw/zinc/38/84/58/167388458.db2.gz LUJOKHLWHPKTGX-MRVPVSSYSA-N 2 2 158.245 0.056 20 0 ACADLP CCOCC[N@H+]1CC[C@@H]([NH3+])C1 36229714 167388460 /nfs/dbraw/zinc/38/84/60/167388460.db2.gz LUJOKHLWHPKTGX-MRVPVSSYSA-N 2 2 158.245 0.056 20 0 ACADLP CCOCC[N@@H+]1CCC[C@@H]([NH3+])C1 40740126 167389293 /nfs/dbraw/zinc/38/92/93/167389293.db2.gz MIXKCAMRQXMHFG-SECBINFHSA-N 2 2 172.272 0.446 20 0 ACADLP CCOCC[N@H+]1CCC[C@@H]([NH3+])C1 40740126 167389296 /nfs/dbraw/zinc/38/92/96/167389296.db2.gz MIXKCAMRQXMHFG-SECBINFHSA-N 2 2 172.272 0.446 20 0 ACADLP CCOCC[N@@H+]1CCC[C@H]1C[NH2+]C 42390485 167389467 /nfs/dbraw/zinc/38/94/67/167389467.db2.gz BSYJZIYMFNAIEV-JTQLQIEISA-N 2 2 186.299 0.707 20 0 ACADLP CCOCC[N@H+]1CCC[C@H]1C[NH2+]C 42390485 167389469 /nfs/dbraw/zinc/38/94/69/167389469.db2.gz BSYJZIYMFNAIEV-JTQLQIEISA-N 2 2 186.299 0.707 20 0 ACADLP CCOCC[N@@H+]1CC[C@H]([NH3+])C1 36229713 167389564 /nfs/dbraw/zinc/38/95/64/167389564.db2.gz LUJOKHLWHPKTGX-QMMMGPOBSA-N 2 2 158.245 0.056 20 0 ACADLP CCOCC[N@H+]1CC[C@H]([NH3+])C1 36229713 167389565 /nfs/dbraw/zinc/38/95/65/167389565.db2.gz LUJOKHLWHPKTGX-QMMMGPOBSA-N 2 2 158.245 0.056 20 0 ACADLP CCOCC[N@@H+]1CCC[C@@H]1C[NH2+]C 42390482 167389622 /nfs/dbraw/zinc/38/96/22/167389622.db2.gz BSYJZIYMFNAIEV-SNVBAGLBSA-N 2 2 186.299 0.707 20 0 ACADLP CCOCC[N@H+]1CCC[C@@H]1C[NH2+]C 42390482 167389623 /nfs/dbraw/zinc/38/96/23/167389623.db2.gz BSYJZIYMFNAIEV-SNVBAGLBSA-N 2 2 186.299 0.707 20 0 ACADLP CCOCC[N@@H+]1CCC[C@H]([NH3+])C1 40740124 167390313 /nfs/dbraw/zinc/39/03/13/167390313.db2.gz MIXKCAMRQXMHFG-VIFPVBQESA-N 2 2 172.272 0.446 20 0 ACADLP CCOCC[N@H+]1CCC[C@H]([NH3+])C1 40740124 167390317 /nfs/dbraw/zinc/39/03/17/167390317.db2.gz MIXKCAMRQXMHFG-VIFPVBQESA-N 2 2 172.272 0.446 20 0 ACADLP CCOC[C@@H](C)[NH2+][C@H]1CCC[NH2+]C1 44692102 167397056 /nfs/dbraw/zinc/39/70/56/167397056.db2.gz KJBIDEBTOJDNMS-ZJUUUORDSA-N 2 2 186.299 0.753 20 0 ACADLP CCOC[C@@H](C)[NH2+][C@@H]1CCC[NH2+]C1 44692099 167397220 /nfs/dbraw/zinc/39/72/20/167397220.db2.gz KJBIDEBTOJDNMS-NXEZZACHSA-N 2 2 186.299 0.753 20 0 ACADLP CCOC[C@H](C)[NH2+][C@H]1CCC[NH2+]C1 44692104 167397387 /nfs/dbraw/zinc/39/73/87/167397387.db2.gz KJBIDEBTOJDNMS-UWVGGRQHSA-N 2 2 186.299 0.753 20 0 ACADLP CCOC[C@H](C)[NH2+][C@@H]1CCC[NH2+]C1 44692100 167397976 /nfs/dbraw/zinc/39/79/76/167397976.db2.gz KJBIDEBTOJDNMS-VHSXEESVSA-N 2 2 186.299 0.753 20 0 ACADLP CC[C@H](C)[NH2+]CC[NH+](C)C 19389278 167615459 /nfs/dbraw/zinc/61/54/59/167615459.db2.gz OODSKLIZBOSXQM-QMMMGPOBSA-N 2 2 144.262 0.936 20 0 ACADLP C[N@H+](C[C@H]1CCCCO1)[C@@H]1CC[NH2+]C1 51783202 167885808 /nfs/dbraw/zinc/88/58/08/167885808.db2.gz RWVLHPCUHKCASW-GHMZBOCLSA-N 2 2 198.310 0.849 20 0 ACADLP C[N@@H+](C[C@H]1CCCCO1)[C@@H]1CC[NH2+]C1 51783202 167885809 /nfs/dbraw/zinc/88/58/09/167885809.db2.gz RWVLHPCUHKCASW-GHMZBOCLSA-N 2 2 198.310 0.849 20 0 ACADLP C[NH2+]C[C@@H]1CCC[N@@H+]1CCOC 42390298 168007275 /nfs/dbraw/zinc/00/72/75/168007275.db2.gz ILXJWJCVKOJHPL-VIFPVBQESA-N 2 2 172.272 0.317 20 0 ACADLP C[NH2+]C[C@@H]1CCC[N@H+]1CCOC 42390298 168007276 /nfs/dbraw/zinc/00/72/76/168007276.db2.gz ILXJWJCVKOJHPL-VIFPVBQESA-N 2 2 172.272 0.317 20 0 ACADLP C[NH2+]C[C@H]1CCC[N@@H+]1CCOC 42390302 168012433 /nfs/dbraw/zinc/01/24/33/168012433.db2.gz ILXJWJCVKOJHPL-SECBINFHSA-N 2 2 172.272 0.317 20 0 ACADLP C[NH2+]C[C@H]1CCC[N@H+]1CCOC 42390302 168012435 /nfs/dbraw/zinc/01/24/35/168012435.db2.gz ILXJWJCVKOJHPL-SECBINFHSA-N 2 2 172.272 0.317 20 0 ACADLP C[NH2+][C@@H](C[NH+](C)C)C(C)C 49205672 168037352 /nfs/dbraw/zinc/03/73/52/168037352.db2.gz HHXCARUSLFMXJA-QMMMGPOBSA-N 2 2 144.262 0.792 20 0 ACADLP C[NH2+][C@@H]1CC[N@@H+](C2CC2)C1 37241629 168040380 /nfs/dbraw/zinc/04/03/80/168040380.db2.gz DDPNGNWBZMIZNA-SSDOTTSWSA-N 2 2 140.230 0.443 20 0 in-vitro ACADLP C[NH2+][C@@H]1CC[N@H+](C2CC2)C1 37241629 168040382 /nfs/dbraw/zinc/04/03/82/168040382.db2.gz DDPNGNWBZMIZNA-SSDOTTSWSA-N 2 2 140.230 0.443 20 0 in-vitro ACADLP C[NH2+][C@@H]1CCC[C@@H]1[NH+](C)C 43815771 168040462 /nfs/dbraw/zinc/04/04/62/168040462.db2.gz XCCCQEYHEVPXBX-SFYZADRCSA-N 2 2 142.246 0.689 20 0 ACADLP C[NH2+][C@@H]1CCC[N@H+](CC(C)(C)O)C1 53204540 168041058 /nfs/dbraw/zinc/04/10/58/168041058.db2.gz FIJOVDFSWYDQBE-SECBINFHSA-N 2 2 186.299 0.441 20 0 ACADLP C[NH2+][C@@H]1CCC[N@@H+](CC(C)(C)O)C1 53204540 168041061 /nfs/dbraw/zinc/04/10/61/168041061.db2.gz FIJOVDFSWYDQBE-SECBINFHSA-N 2 2 186.299 0.441 20 0 ACADLP C[NH2+][C@@H]1CCC[N@H+](CCOC)C1 53203830 168041267 /nfs/dbraw/zinc/04/12/67/168041267.db2.gz ZDRJCBKWZDGXHT-SECBINFHSA-N 2 2 172.272 0.317 20 0 ACADLP C[NH2+][C@@H]1CCC[N@@H+](CCOC)C1 53203830 168041270 /nfs/dbraw/zinc/04/12/70/168041270.db2.gz ZDRJCBKWZDGXHT-SECBINFHSA-N 2 2 172.272 0.317 20 0 ACADLP C[NH2+][C@@H]1CCC[C@H]1[NH+](C)C 43815774 168041496 /nfs/dbraw/zinc/04/14/96/168041496.db2.gz XCCCQEYHEVPXBX-HTQZYQBOSA-N 2 2 142.246 0.689 20 0 ACADLP C[NH2+][C@@H]1CC[N@H+](CCCCOC)C1 44659171 168043054 /nfs/dbraw/zinc/04/30/54/168043054.db2.gz LAEZBVYRKDGKOY-SNVBAGLBSA-N 2 2 186.299 0.707 20 0 ACADLP C[NH2+][C@@H]1CC[N@@H+](CCCCOC)C1 44659171 168043056 /nfs/dbraw/zinc/04/30/56/168043056.db2.gz LAEZBVYRKDGKOY-SNVBAGLBSA-N 2 2 186.299 0.707 20 0 ACADLP C[NH2+][C@@H]1CC[N@H+](C[C@@H]2CCCCO2)C1 42821647 168043647 /nfs/dbraw/zinc/04/36/47/168043647.db2.gz JXVPZRVYKYUQCA-MNOVXSKESA-N 2 2 198.310 0.849 20 0 ACADLP C[NH2+][C@@H]1CC[N@@H+](C[C@@H]2CCCCO2)C1 42821647 168043650 /nfs/dbraw/zinc/04/36/50/168043650.db2.gz JXVPZRVYKYUQCA-MNOVXSKESA-N 2 2 198.310 0.849 20 0 ACADLP C[NH2+][C@H](C[NH+](C)C)C(C)C 49205669 168053308 /nfs/dbraw/zinc/05/33/08/168053308.db2.gz HHXCARUSLFMXJA-MRVPVSSYSA-N 2 2 144.262 0.792 20 0 ACADLP C[NH2+][C@H]1CCC[N@H+](CCOC)C1 53203831 168056481 /nfs/dbraw/zinc/05/64/81/168056481.db2.gz ZDRJCBKWZDGXHT-VIFPVBQESA-N 2 2 172.272 0.317 20 0 ACADLP C[NH2+][C@H]1CCC[N@@H+](CCOC)C1 53203831 168056484 /nfs/dbraw/zinc/05/64/84/168056484.db2.gz ZDRJCBKWZDGXHT-VIFPVBQESA-N 2 2 172.272 0.317 20 0 ACADLP C[NH2+][C@H]1CCC[C@@H]1[NH+](C)C 43815772 168056582 /nfs/dbraw/zinc/05/65/82/168056582.db2.gz XCCCQEYHEVPXBX-YUMQZZPRSA-N 2 2 142.246 0.689 20 0 ACADLP C[NH2+][C@H]1CCC[N@@H+]([C@@H](C)COC)C1 53201812 168056909 /nfs/dbraw/zinc/05/69/09/168056909.db2.gz DDAGSUBBPNGKRT-UWVGGRQHSA-N 2 2 186.299 0.705 20 0 ACADLP C[NH2+][C@H]1CCC[N@H+]([C@@H](C)COC)C1 53201812 168056912 /nfs/dbraw/zinc/05/69/12/168056912.db2.gz DDAGSUBBPNGKRT-UWVGGRQHSA-N 2 2 186.299 0.705 20 0 ACADLP C[NH2+][C@H]1CCC[C@H]1[NH+](C)C 43815776 168057046 /nfs/dbraw/zinc/05/70/46/168057046.db2.gz XCCCQEYHEVPXBX-JGVFFNPUSA-N 2 2 142.246 0.689 20 0 ACADLP C[NH2+][C@H]1CC[N@@H+](C2CC2)C1 37241631 168057225 /nfs/dbraw/zinc/05/72/25/168057225.db2.gz DDPNGNWBZMIZNA-ZETCQYMHSA-N 2 2 140.230 0.443 20 0 in-vitro ACADLP C[NH2+][C@H]1CC[N@H+](C2CC2)C1 37241631 168057226 /nfs/dbraw/zinc/05/72/26/168057226.db2.gz DDPNGNWBZMIZNA-ZETCQYMHSA-N 2 2 140.230 0.443 20 0 in-vitro ACADLP C[NH2+][C@H]1CCC[N@H+](CC(C)(C)O)C1 53204539 168057463 /nfs/dbraw/zinc/05/74/63/168057463.db2.gz FIJOVDFSWYDQBE-VIFPVBQESA-N 2 2 186.299 0.441 20 0 ACADLP C[NH2+][C@H]1CCC[N@@H+](CC(C)(C)O)C1 53204539 168057464 /nfs/dbraw/zinc/05/74/64/168057464.db2.gz FIJOVDFSWYDQBE-VIFPVBQESA-N 2 2 186.299 0.441 20 0 ACADLP C[NH2+][C@H]1CC[N@H+](CCCCOC)C1 44659174 168057715 /nfs/dbraw/zinc/05/77/15/168057715.db2.gz LAEZBVYRKDGKOY-JTQLQIEISA-N 2 2 186.299 0.707 20 0 ACADLP C[NH2+][C@H]1CC[N@@H+](CCCCOC)C1 44659174 168057718 /nfs/dbraw/zinc/05/77/18/168057718.db2.gz LAEZBVYRKDGKOY-JTQLQIEISA-N 2 2 186.299 0.707 20 0 ACADLP C[NH2+][C@H]1CCC[N@H+](C[C@@H](C)O)C1 53204548 168057853 /nfs/dbraw/zinc/05/78/53/168057853.db2.gz VLNPFNCSJRQDCL-BDAKNGLRSA-N 2 2 172.272 0.051 20 0 ACADLP C[NH2+][C@H]1CCC[N@@H+](C[C@@H](C)O)C1 53204548 168057855 /nfs/dbraw/zinc/05/78/55/168057855.db2.gz VLNPFNCSJRQDCL-BDAKNGLRSA-N 2 2 172.272 0.051 20 0 ACADLP C[NH2+][C@H]1CCC[N@H+](C[C@H](C)O)C1 53204547 168058116 /nfs/dbraw/zinc/05/81/16/168058116.db2.gz VLNPFNCSJRQDCL-IUCAKERBSA-N 2 2 172.272 0.051 20 0 ACADLP C[NH2+][C@H]1CCC[N@@H+](C[C@H](C)O)C1 53204547 168058118 /nfs/dbraw/zinc/05/81/18/168058118.db2.gz VLNPFNCSJRQDCL-IUCAKERBSA-N 2 2 172.272 0.051 20 0 ACADLP C[NH2+][C@H]1CC[N@@H+]([C@@H](C)COC)C1 37240833 168058715 /nfs/dbraw/zinc/05/87/15/168058715.db2.gz KRBGALCSULVJOM-IUCAKERBSA-N 2 2 172.272 0.315 20 0 ACADLP C[NH2+][C@H]1CC[N@H+]([C@@H](C)COC)C1 37240833 168058717 /nfs/dbraw/zinc/05/87/17/168058717.db2.gz KRBGALCSULVJOM-IUCAKERBSA-N 2 2 172.272 0.315 20 0 ACADLP C[NH2+][C@H]1CC[N@@H+]([C@H](C)COC)C1 37240835 168059028 /nfs/dbraw/zinc/05/90/28/168059028.db2.gz KRBGALCSULVJOM-BDAKNGLRSA-N 2 2 172.272 0.315 20 0 ACADLP C[NH2+][C@H]1CC[N@H+]([C@H](C)COC)C1 37240835 168059029 /nfs/dbraw/zinc/05/90/29/168059029.db2.gz KRBGALCSULVJOM-BDAKNGLRSA-N 2 2 172.272 0.315 20 0 ACADLP C[NH2+][C@H]1CC[N@H+](C[C@@H]2CCCCO2)C1 42821651 168059722 /nfs/dbraw/zinc/05/97/22/168059722.db2.gz JXVPZRVYKYUQCA-QWRGUYRKSA-N 2 2 198.310 0.849 20 0 ACADLP C[NH2+][C@H]1CC[N@@H+](C[C@@H]2CCCCO2)C1 42821651 168059725 /nfs/dbraw/zinc/05/97/25/168059725.db2.gz JXVPZRVYKYUQCA-QWRGUYRKSA-N 2 2 198.310 0.849 20 0 ACADLP [NH3+]Cc1cncc(-n2cc[nH+]c2)c1 135134172 343955290 /nfs/dbraw/zinc/95/52/90/343955290.db2.gz HPAKLVPOIOFYMI-UHFFFAOYSA-N 2 2 174.207 0.726 20 0 ACADLP COC1CC[NH+]([C@@H]2CCC[NH2+]C2)CC1 37266414 168145811 /nfs/dbraw/zinc/14/58/11/168145811.db2.gz XYAWVVHDSPQPHY-SNVBAGLBSA-N 2 2 198.310 0.849 20 0 ACADLP COC1CC[NH+]([C@H]2CCC[NH2+]C2)CC1 37266415 168146036 /nfs/dbraw/zinc/14/60/36/168146036.db2.gz XYAWVVHDSPQPHY-JTQLQIEISA-N 2 2 198.310 0.849 20 0 ACADLP COCCC[N@H+](C)CC[NH2+]C(C)C 42691127 168154799 /nfs/dbraw/zinc/15/47/99/168154799.db2.gz NRFJZCRKANQAFV-UHFFFAOYSA-N 2 2 188.315 0.953 20 0 ACADLP COCCC[N@@H+](C)CC[NH2+]C(C)C 42691127 168154801 /nfs/dbraw/zinc/15/48/01/168154801.db2.gz NRFJZCRKANQAFV-UHFFFAOYSA-N 2 2 188.315 0.953 20 0 ACADLP COCC[N@H+](C)CC(C)(C)[NH3+] 42460274 168158937 /nfs/dbraw/zinc/15/89/37/168158937.db2.gz WYQGDOIUFGBGRM-UHFFFAOYSA-N 2 2 160.261 0.302 20 0 ACADLP COCC[N@@H+](C)CC(C)(C)[NH3+] 42460274 168158938 /nfs/dbraw/zinc/15/89/38/168158938.db2.gz WYQGDOIUFGBGRM-UHFFFAOYSA-N 2 2 160.261 0.302 20 0 ACADLP COCC[N@@H+]1CCCC[C@@H]1C[NH3+] 19843339 168159823 /nfs/dbraw/zinc/15/98/23/168159823.db2.gz UWFAWZPFXNTLQY-SECBINFHSA-N 2 2 172.272 0.446 20 0 ACADLP COCC[N@H+]1CCCC[C@@H]1C[NH3+] 19843339 168159824 /nfs/dbraw/zinc/15/98/24/168159824.db2.gz UWFAWZPFXNTLQY-SECBINFHSA-N 2 2 172.272 0.446 20 0 ACADLP COCC[N@@H+]1CCCC[C@H]1C[NH3+] 19843340 168162188 /nfs/dbraw/zinc/16/21/88/168162188.db2.gz UWFAWZPFXNTLQY-VIFPVBQESA-N 2 2 172.272 0.446 20 0 ACADLP COCC[N@H+]1CCCC[C@H]1C[NH3+] 19843340 168162189 /nfs/dbraw/zinc/16/21/89/168162189.db2.gz UWFAWZPFXNTLQY-VIFPVBQESA-N 2 2 172.272 0.446 20 0 ACADLP COCC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2 126716579 168163798 /nfs/dbraw/zinc/16/37/98/168163798.db2.gz NVBJAFLQNWAVOX-ZJUUUORDSA-N 2 2 184.283 0.459 20 0 ACADLP COCC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2 126716579 168163800 /nfs/dbraw/zinc/16/38/00/168163800.db2.gz NVBJAFLQNWAVOX-ZJUUUORDSA-N 2 2 184.283 0.459 20 0 ACADLP COCC[C@H](C)[NH2+]C[C@H](C)[NH+](C)C 45037549 168172592 /nfs/dbraw/zinc/17/25/92/168172592.db2.gz NUDNICNZNKNATE-UWVGGRQHSA-N 2 2 188.315 0.951 20 0 ACADLP COCC[C@@H](C)[NH2+]CCn1cc[nH+]c1 45037986 168172697 /nfs/dbraw/zinc/17/26/97/168172697.db2.gz CQCIILXPDSFALW-SNVBAGLBSA-N 2 2 197.282 0.898 20 0 ACADLP COCC[C@@H](C)[NH2+]C[C@@H](C)[NH+](C)C 45037545 168172713 /nfs/dbraw/zinc/17/27/13/168172713.db2.gz NUDNICNZNKNATE-NXEZZACHSA-N 2 2 188.315 0.951 20 0 ACADLP COCC[C@H](C)[NH2+]C[C@@H](C)[NH+](C)C 45037541 168173008 /nfs/dbraw/zinc/17/30/08/168173008.db2.gz NUDNICNZNKNATE-VHSXEESVSA-N 2 2 188.315 0.951 20 0 ACADLP COCC[C@H](C)[NH2+]CCn1cc[nH+]c1 45037983 168173965 /nfs/dbraw/zinc/17/39/65/168173965.db2.gz CQCIILXPDSFALW-JTQLQIEISA-N 2 2 197.282 0.898 20 0 ACADLP COCC[C@@H](C)[NH2+]C[C@H](C)[NH+](C)C 45037552 168174061 /nfs/dbraw/zinc/17/40/61/168174061.db2.gz NUDNICNZNKNATE-ZJUUUORDSA-N 2 2 188.315 0.951 20 0 ACADLP COC[C@@H](C)[N@@H+]1CCC[C@H]([NH3+])C1 53199494 168181255 /nfs/dbraw/zinc/18/12/55/168181255.db2.gz PENDWKYOOFAILB-BDAKNGLRSA-N 2 2 172.272 0.444 20 0 ACADLP COC[C@@H](C)[N@H+]1CCC[C@H]([NH3+])C1 53199494 168181258 /nfs/dbraw/zinc/18/12/58/168181258.db2.gz PENDWKYOOFAILB-BDAKNGLRSA-N 2 2 172.272 0.444 20 0 ACADLP COC[C@@H](C)[NH2+]CC[NH+]1CCCC1 49799912 168181327 /nfs/dbraw/zinc/18/13/27/168181327.db2.gz OMHDDFUQINXYDK-SNVBAGLBSA-N 2 2 186.299 0.707 20 0 ACADLP COC[C@@H](C)[N@@H+]1CC[C@H]([NH3+])C1 37240850 168181867 /nfs/dbraw/zinc/18/18/67/168181867.db2.gz ZXSDSHZBUBVUIB-SFYZADRCSA-N 2 2 158.245 0.054 20 0 ACADLP COC[C@@H](C)[N@H+]1CC[C@H]([NH3+])C1 37240850 168181869 /nfs/dbraw/zinc/18/18/69/168181869.db2.gz ZXSDSHZBUBVUIB-SFYZADRCSA-N 2 2 158.245 0.054 20 0 ACADLP COC[C@@H](C)[N@@H+]1CC[C@@H]([NH3+])C1 130772131 168181910 /nfs/dbraw/zinc/18/19/10/168181910.db2.gz ZXSDSHZBUBVUIB-HTQZYQBOSA-N 2 2 158.245 0.054 20 0 ACADLP COC[C@@H](C)[N@H+]1CC[C@@H]([NH3+])C1 130772131 168181912 /nfs/dbraw/zinc/18/19/12/168181912.db2.gz ZXSDSHZBUBVUIB-HTQZYQBOSA-N 2 2 158.245 0.054 20 0 ACADLP COC[C@@H](C)[NH2+]CCCn1cc[nH+]c1 49327614 168181915 /nfs/dbraw/zinc/18/19/15/168181915.db2.gz CIMGRTKHTQEFAL-SNVBAGLBSA-N 2 2 197.282 0.898 20 0 ACADLP COC[C@@H](C)[NH2+]CCn1cc[nH+]c1 49799938 168181996 /nfs/dbraw/zinc/18/19/96/168181996.db2.gz NRSKJPGGWXNXRV-SECBINFHSA-N 2 2 183.255 0.508 20 0 ACADLP COC[C@H](C)[N@@H+]1CCC[C@H]([NH3+])C1 53199493 168186891 /nfs/dbraw/zinc/18/68/91/168186891.db2.gz PENDWKYOOFAILB-IUCAKERBSA-N 2 2 172.272 0.444 20 0 ACADLP COC[C@H](C)[N@H+]1CCC[C@H]([NH3+])C1 53199493 168186892 /nfs/dbraw/zinc/18/68/92/168186892.db2.gz PENDWKYOOFAILB-IUCAKERBSA-N 2 2 172.272 0.444 20 0 ACADLP COC[C@H](C)[N@@H+]1CC[C@H]([NH3+])C1 37240848 168186984 /nfs/dbraw/zinc/18/69/84/168186984.db2.gz ZXSDSHZBUBVUIB-YUMQZZPRSA-N 2 2 158.245 0.054 20 0 ACADLP COC[C@H](C)[N@H+]1CC[C@H]([NH3+])C1 37240848 168186987 /nfs/dbraw/zinc/18/69/87/168186987.db2.gz ZXSDSHZBUBVUIB-YUMQZZPRSA-N 2 2 158.245 0.054 20 0 ACADLP COC[C@H](C)[N@@H+]1CC[C@@H]([NH3+])C1 130771916 168187407 /nfs/dbraw/zinc/18/74/07/168187407.db2.gz ZXSDSHZBUBVUIB-JGVFFNPUSA-N 2 2 158.245 0.054 20 0 ACADLP COC[C@H](C)[N@H+]1CC[C@@H]([NH3+])C1 130771916 168187411 /nfs/dbraw/zinc/18/74/11/168187411.db2.gz ZXSDSHZBUBVUIB-JGVFFNPUSA-N 2 2 158.245 0.054 20 0 ACADLP COC[C@H](C)[NH2+]CCn1cc[nH+]c1 49799937 168188996 /nfs/dbraw/zinc/18/89/96/168188996.db2.gz NRSKJPGGWXNXRV-VIFPVBQESA-N 2 2 183.255 0.508 20 0 ACADLP COC[C@H](C)[NH2+][C@H]1CCC[N@H+](C)C1 53196548 168189498 /nfs/dbraw/zinc/18/94/98/168189498.db2.gz MCUPZDXBIVVDKP-UWVGGRQHSA-N 2 2 186.299 0.705 20 0 ACADLP COC[C@H](C)[NH2+][C@H]1CCC[N@@H+](C)C1 53196548 168189500 /nfs/dbraw/zinc/18/95/00/168189500.db2.gz MCUPZDXBIVVDKP-UWVGGRQHSA-N 2 2 186.299 0.705 20 0 ACADLP COC[C@H](C)[NH2+]CCCn1cc[nH+]c1 49327611 168189957 /nfs/dbraw/zinc/18/99/57/168189957.db2.gz CIMGRTKHTQEFAL-JTQLQIEISA-N 2 2 197.282 0.898 20 0 ACADLP COC[C@H](C)[NH2+]CC[NH+]1CCCC1 49799911 168189978 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XYYDRYFCMWBLJE-RKDXNWHRSA-N 2 2 172.272 0.444 20 0 ACADLP CO[C@@H]1CC[N@@H+](Cc2c[nH+]c[nH]2)C1 306420738 168207045 /nfs/dbraw/zinc/20/70/45/168207045.db2.gz XQZFEOAVJUJGGC-SECBINFHSA-N 2 2 181.239 0.630 20 0 ACADLP CO[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCC[NH2+]C1 50372246 168208718 /nfs/dbraw/zinc/20/87/18/168208718.db2.gz BMTLKFJLBKDRIT-GMTAPVOTSA-N 2 2 198.310 0.896 20 0 ACADLP CO[C@H]1CCC[N@H+](C[C@H](C)[NH3+])C1 113651369 168215510 /nfs/dbraw/zinc/21/55/10/168215510.db2.gz XYYDRYFCMWBLJE-IUCAKERBSA-N 2 2 172.272 0.444 20 0 ACADLP CO[C@H]1CCC[N@@H+](C[C@H](C)[NH3+])C1 113651369 168215513 /nfs/dbraw/zinc/21/55/13/168215513.db2.gz XYYDRYFCMWBLJE-IUCAKERBSA-N 2 2 172.272 0.444 20 0 ACADLP CO[C@H]1CCC[N@H+](C[C@@H](C)[NH3+])C1 113651367 168215624 /nfs/dbraw/zinc/21/56/24/168215624.db2.gz XYYDRYFCMWBLJE-BDAKNGLRSA-N 2 2 172.272 0.444 20 0 ACADLP CO[C@H]1CCC[N@@H+](C[C@@H](C)[NH3+])C1 113651367 168215626 /nfs/dbraw/zinc/21/56/26/168215626.db2.gz XYYDRYFCMWBLJE-BDAKNGLRSA-N 2 2 172.272 0.444 20 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MRJCTSXFQOEYIJ-VIFPVBQESA-N 2 2 196.250 0.662 20 0 ACADLP COc1ccc([C@@H]([NH3+])C[NH3+])c(C)c1 44472278 168257540 /nfs/dbraw/zinc/25/75/40/168257540.db2.gz SFUCYWNGYOCPIP-JTQLQIEISA-N 2 2 180.251 0.962 20 0 ACADLP COc1ccc([C@@H]([NH3+])C[NH3+])cc1F 72200208 168258191 /nfs/dbraw/zinc/25/81/91/168258191.db2.gz INPCGIFLASQGAX-QMMMGPOBSA-N 2 2 184.214 0.793 20 0 ACADLP COc1ccc([C@H]([NH3+])C[NH3+])c(F)c1 44470089 168259020 /nfs/dbraw/zinc/25/90/20/168259020.db2.gz ZQLHJHILMLAQAY-SECBINFHSA-N 2 2 184.214 0.793 20 0 ACADLP COc1ccc([C@H]([NH3+])C[NH3+])c(OC)c1 35677118 168259230 /nfs/dbraw/zinc/25/92/30/168259230.db2.gz MRJCTSXFQOEYIJ-SECBINFHSA-N 2 2 196.250 0.662 20 0 ACADLP COc1ccc([C@H]([NH3+])C[NH3+])cc1F 72200207 168259313 /nfs/dbraw/zinc/25/93/13/168259313.db2.gz INPCGIFLASQGAX-MRVPVSSYSA-N 2 2 184.214 0.793 20 0 ACADLP COc1ccc([C@H]([NH3+])C[NH3+])c(C)c1 44472275 168259514 /nfs/dbraw/zinc/25/95/14/168259514.db2.gz SFUCYWNGYOCPIP-SNVBAGLBSA-N 2 2 180.251 0.962 20 0 ACADLP 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123531671 168361671 /nfs/dbraw/zinc/36/16/71/168361671.db2.gz PFPFIVOVSAMZOS-HTQZYQBOSA-N 2 2 174.313 0.771 20 0 ACADLP C[C@@H]([NH3+])C[N@H+]1CCS[C@H](C)C1 123531671 168361673 /nfs/dbraw/zinc/36/16/73/168361673.db2.gz PFPFIVOVSAMZOS-HTQZYQBOSA-N 2 2 174.313 0.771 20 0 ACADLP C[C@@H]([NH3+])C[N@@H+]1CCCOCC1 61917495 168362010 /nfs/dbraw/zinc/36/20/10/168362010.db2.gz HIMOZYOMAUSHMO-MRVPVSSYSA-N 2 2 158.245 0.056 20 0 ACADLP C[C@@H]([NH3+])C[N@H+]1CCCOCC1 61917495 168362012 /nfs/dbraw/zinc/36/20/12/168362012.db2.gz HIMOZYOMAUSHMO-MRVPVSSYSA-N 2 2 158.245 0.056 20 0 ACADLP C[C@@H]([NH3+])C[N@H+](C)C[C@@H]1CCCCO1 42308727 168362082 /nfs/dbraw/zinc/36/20/82/168362082.db2.gz BGDLLKRKQFRMGD-ZJUUUORDSA-N 2 2 186.299 0.835 20 0 ACADLP C[C@@H]([NH3+])C[N@@H+](C)C[C@@H]1CCCCO1 42308727 168362084 /nfs/dbraw/zinc/36/20/84/168362084.db2.gz BGDLLKRKQFRMGD-ZJUUUORDSA-N 2 2 186.299 0.835 20 0 ACADLP C[C@@H]([NH3+])C[N@@H+]1CC[C@@](C)(C[NH3+])C1 307686537 168362155 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KXDCAKQCAVVLMM-SNVBAGLBSA-N 2 2 198.310 0.836 20 0 ACADLP C[C@@H]([NH3+])C[N@H+]1CCOCC2(CCC2)C1 334967852 168363090 /nfs/dbraw/zinc/36/30/90/168363090.db2.gz KXDCAKQCAVVLMM-SNVBAGLBSA-N 2 2 198.310 0.836 20 0 ACADLP C[C@@H]([NH3+])CN1CCC[C@H]1c1[nH]cc[nH+]1 335393370 168363372 /nfs/dbraw/zinc/36/33/72/168363372.db2.gz BYDSEZGLEXTAJR-BDAKNGLRSA-N 2 2 194.282 0.894 20 0 ACADLP C[C@@H]([NH3+])C[N@@H+]1C[C@@H](C)OC(C)(C)C1 45684863 168363575 /nfs/dbraw/zinc/36/35/75/168363575.db2.gz SJBWHKYSUJUFLA-RKDXNWHRSA-N 2 2 186.299 0.833 20 0 ACADLP C[C@@H]([NH3+])C[N@H+]1C[C@@H](C)OC(C)(C)C1 45684863 168363579 /nfs/dbraw/zinc/36/35/79/168363579.db2.gz SJBWHKYSUJUFLA-RKDXNWHRSA-N 2 2 186.299 0.833 20 0 ACADLP C[C@@H]([NH3+])C[N@@H+]1CC[C@](C)(C[NH3+])C1 307686540 168363583 /nfs/dbraw/zinc/36/35/83/168363583.db2.gz CXSAHWSHIXAQJV-RKDXNWHRSA-N 3 2 171.288 0.004 20 0 ACADLP C[C@@H]([NH3+])C[N@H+]1CC[C@](C)(C[NH3+])C1 307686540 168363584 /nfs/dbraw/zinc/36/35/84/168363584.db2.gz CXSAHWSHIXAQJV-RKDXNWHRSA-N 3 2 171.288 0.004 20 0 ACADLP C[C@@H]([NH3+])C[NH2+]Cc1ccco1 40407576 168364888 /nfs/dbraw/zinc/36/48/88/168364888.db2.gz IVRNVNVAHPSYHU-SSDOTTSWSA-N 2 2 154.213 0.716 20 0 ACADLP C[C@@H]([NH3+])[C@@H](C)n1cc[nH+]c1 11848833 168365480 /nfs/dbraw/zinc/36/54/80/168365480.db2.gz NCHJUTFMHWBNCJ-RNFRBKRXSA-N 2 2 139.202 0.791 20 0 ACADLP C[C@@H]([NH3+])[C@@H]1CC[N@H+](CC(C)(C)[NH3+])C1 306525759 168367469 /nfs/dbraw/zinc/36/74/69/168367469.db2.gz RGJOBGXVIIOQQQ-RKDXNWHRSA-N 3 2 185.315 0.393 20 0 ACADLP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](CC(C)(C)[NH3+])C1 306525759 168367470 /nfs/dbraw/zinc/36/74/70/168367470.db2.gz RGJOBGXVIIOQQQ-RKDXNWHRSA-N 3 2 185.315 0.393 20 0 ACADLP C[C@@H]([NH3+])[C@H]1CC[N@H+](Cc2cc[nH]n2)C1 307195761 168367776 /nfs/dbraw/zinc/36/77/76/168367776.db2.gz RWMXBMAWYKXPBG-BDAKNGLRSA-N 2 2 194.282 0.579 20 0 ACADLP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2cc[nH]n2)C1 307195761 168367779 /nfs/dbraw/zinc/36/77/79/168367779.db2.gz RWMXBMAWYKXPBG-BDAKNGLRSA-N 2 2 194.282 0.579 20 0 ACADLP C[C@@H]([NH3+])[C@@H]1CC[N@H+](Cc2cc[nH]n2)C1 307195764 168367971 /nfs/dbraw/zinc/36/79/71/168367971.db2.gz RWMXBMAWYKXPBG-RKDXNWHRSA-N 2 2 194.282 0.579 20 0 ACADLP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2cc[nH]n2)C1 307195764 168367973 /nfs/dbraw/zinc/36/79/73/168367973.db2.gz RWMXBMAWYKXPBG-RKDXNWHRSA-N 2 2 194.282 0.579 20 0 ACADLP C[C@@H]([NH3+])[C@H]1CC[N@H+](Cc2ccon2)C1 307224052 168368157 /nfs/dbraw/zinc/36/81/57/168368157.db2.gz RYOHGWNWUYVLET-BDAKNGLRSA-N 2 2 195.266 0.844 20 0 ACADLP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2ccon2)C1 307224052 168368158 /nfs/dbraw/zinc/36/81/58/168368158.db2.gz RYOHGWNWUYVLET-BDAKNGLRSA-N 2 2 195.266 0.844 20 0 ACADLP C[C@@H]([NH3+])[C@H]1CC[N@H+](CC(C)(C)[NH3+])C1 306525756 168368703 /nfs/dbraw/zinc/36/87/03/168368703.db2.gz RGJOBGXVIIOQQQ-BDAKNGLRSA-N 3 2 185.315 0.393 20 0 ACADLP C[C@@H]([NH3+])[C@H]1CC[N@@H+](CC(C)(C)[NH3+])C1 306525756 168368706 /nfs/dbraw/zinc/36/87/06/168368706.db2.gz RGJOBGXVIIOQQQ-BDAKNGLRSA-N 3 2 185.315 0.393 20 0 ACADLP C[C@@H]([NH3+])[C@@H]1CC[N@H+](Cc2ccon2)C1 307224057 168368996 /nfs/dbraw/zinc/36/89/96/168368996.db2.gz RYOHGWNWUYVLET-RKDXNWHRSA-N 2 2 195.266 0.844 20 0 ACADLP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2ccon2)C1 307224057 168368998 /nfs/dbraw/zinc/36/89/98/168368998.db2.gz RYOHGWNWUYVLET-RKDXNWHRSA-N 2 2 195.266 0.844 20 0 ACADLP C[C@@H]([NH2+]CC[NH+](C)C)C1CC1 21966888 168381035 /nfs/dbraw/zinc/38/10/35/168381035.db2.gz NYDORBDMMFIBCW-MRVPVSSYSA-N 2 2 156.273 0.936 20 0 ACADLP C[C@@H]([NH2+]CC[NH3+])c1ccccn1 37712377 168381939 /nfs/dbraw/zinc/38/19/39/168381939.db2.gz PHTSEQKOAZHSME-MRVPVSSYSA-N 2 2 165.240 0.691 20 0 ACADLP C[C@@H]([NH2+][C@@H]1CCC[NH2+]C1)[C@@H]1CCCO1 43325176 168384378 /nfs/dbraw/zinc/38/43/78/168384378.db2.gz PJOGNWODDWTTOA-MXWKQRLJSA-N 2 2 198.310 0.896 20 0 ACADLP C[C@@H](O)C[N@H+](C)CCn1cc[nH+]c1 51837894 168390661 /nfs/dbraw/zinc/39/06/61/168390661.db2.gz VIKHFBKPIAPFIK-SECBINFHSA-N 2 2 183.255 0.196 20 0 ACADLP C[C@@H](O)C[N@@H+](C)CCn1cc[nH+]c1 51837894 168390662 /nfs/dbraw/zinc/39/06/62/168390662.db2.gz VIKHFBKPIAPFIK-SECBINFHSA-N 2 2 183.255 0.196 20 0 ACADLP C[C@@H](O)C[N@H+](C)CC[NH2+]C(C)(C)C 51839707 168391363 /nfs/dbraw/zinc/39/13/63/168391363.db2.gz AHJPYINMHIYFCR-SECBINFHSA-N 2 2 188.315 0.687 20 0 ACADLP C[C@@H](O)C[N@@H+](C)CC[NH2+]C(C)(C)C 51839707 168391366 /nfs/dbraw/zinc/39/13/66/168391366.db2.gz AHJPYINMHIYFCR-SECBINFHSA-N 2 2 188.315 0.687 20 0 ACADLP C[C@@H](O)C[N@H+](C)CCCn1cc[nH+]c1 51821953 168391771 /nfs/dbraw/zinc/39/17/71/168391771.db2.gz KMHGYDLNEAOEEP-SNVBAGLBSA-N 2 2 197.282 0.586 20 0 ACADLP C[C@@H](O)C[N@@H+](C)CCCn1cc[nH+]c1 51821953 168391773 /nfs/dbraw/zinc/39/17/73/168391773.db2.gz KMHGYDLNEAOEEP-SNVBAGLBSA-N 2 2 197.282 0.586 20 0 ACADLP C[C@@H](O)C[NH2+]CC[NH+]1CCCC1 41581997 168393034 /nfs/dbraw/zinc/39/30/34/168393034.db2.gz BAWJHBQNRIGIOQ-SECBINFHSA-N 2 2 172.272 0.053 20 0 ACADLP C[C@@H](O)C[NH2+]CC[NH+]1CCCCC1 41581999 168394454 /nfs/dbraw/zinc/39/44/54/168394454.db2.gz BXTVBBPXOAPLSQ-SNVBAGLBSA-N 2 2 186.299 0.443 20 0 ACADLP C[C@@H](O)C[NH2+]CCCCn1cc[nH+]c1 45106976 168394720 /nfs/dbraw/zinc/39/47/20/168394720.db2.gz TXQZFERBORQQGK-SNVBAGLBSA-N 2 2 197.282 0.634 20 0 ACADLP C[C@@H](O)C[NH2+]CCCn1cc[nH+]c1 49327955 168394944 /nfs/dbraw/zinc/39/49/44/168394944.db2.gz GBKPTTAOXRNGJS-SECBINFHSA-N 2 2 183.255 0.244 20 0 ACADLP C[C@@H](O)C[NH2+]C[C@@H]1CCCC[N@@H+]1C 44562787 168395380 /nfs/dbraw/zinc/39/53/80/168395380.db2.gz PJWHDMCZFNDWQX-ZJUUUORDSA-N 2 2 186.299 0.441 20 0 ACADLP C[C@@H](O)C[NH2+]C[C@@H]1CCCC[N@H+]1C 44562787 168395381 /nfs/dbraw/zinc/39/53/81/168395381.db2.gz PJWHDMCZFNDWQX-ZJUUUORDSA-N 2 2 186.299 0.441 20 0 ACADLP C[C@@H](O)C[NH2+]C[C@H]1CCCC[N@@H+]1C 44562789 168395573 /nfs/dbraw/zinc/39/55/73/168395573.db2.gz PJWHDMCZFNDWQX-NXEZZACHSA-N 2 2 186.299 0.441 20 0 ACADLP C[C@@H](O)C[NH2+]C[C@H]1CCCC[N@H+]1C 44562789 168395575 /nfs/dbraw/zinc/39/55/75/168395575.db2.gz PJWHDMCZFNDWQX-NXEZZACHSA-N 2 2 186.299 0.441 20 0 ACADLP C[C@@H](O)C[NH2+][C@H](C)Cn1cc[nH+]c1 49235334 168395621 /nfs/dbraw/zinc/39/56/21/168395621.db2.gz YRXZCIINBHCBLG-RKDXNWHRSA-N 2 2 183.255 0.242 20 0 ACADLP C[C@@H]1C[N@H+](Cc2cc[nH]n2)CC[C@H]1[NH3+] 307204775 168450803 /nfs/dbraw/zinc/45/08/03/168450803.db2.gz GEILZHSQUAVQFP-PSASIEDQSA-N 2 2 194.282 0.579 20 0 ACADLP C[C@@H]1C[N@@H+](Cc2cc[nH]n2)CC[C@H]1[NH3+] 307204775 168450806 /nfs/dbraw/zinc/45/08/06/168450806.db2.gz GEILZHSQUAVQFP-PSASIEDQSA-N 2 2 194.282 0.579 20 0 ACADLP C[C@H](C[NH2+]C1CCOCC1)[NH+](C)C 38087738 168534324 /nfs/dbraw/zinc/53/43/24/168534324.db2.gz LWWVYUQGUSBBJH-SECBINFHSA-N 2 2 186.299 0.705 20 0 ACADLP C[C@H]([NH3+])C[NH2+]Cc1ccco1 40407572 168548678 /nfs/dbraw/zinc/54/86/78/168548678.db2.gz IVRNVNVAHPSYHU-ZETCQYMHSA-N 2 2 154.213 0.716 20 0 ACADLP C[C@H](O)C[NH2+]CCCn1cc[nH+]c1 49327953 168579944 /nfs/dbraw/zinc/57/99/44/168579944.db2.gz GBKPTTAOXRNGJS-VIFPVBQESA-N 2 2 183.255 0.244 20 0 ACADLP C[C@H]1C[NH+](CC(C)(C)[NH3+])C[C@H](C)O1 40925737 168632498 /nfs/dbraw/zinc/63/24/98/168632498.db2.gz QLQKFZXSWNYJJQ-IUCAKERBSA-N 2 2 186.299 0.833 20 0 ACADLP Cc1cc(NC(=O)[C@H](C)[NH3+])cc[nH+]1 11805449 168768827 /nfs/dbraw/zinc/76/88/27/168768827.db2.gz SZXZIXXIJFUDLP-ZETCQYMHSA-N 2 2 179.223 0.676 20 0 ACADLP Cc1noc(C[N@@H+]2CC[C@@H](C[NH3+])C2)n1 44995084 169001231 /nfs/dbraw/zinc/00/12/31/169001231.db2.gz CHFLILSSKPIPDP-QMMMGPOBSA-N 2 2 196.254 0.159 20 0 ACADLP Cc1noc(C[N@H+]2CC[C@@H](C[NH3+])C2)n1 44995084 169001232 /nfs/dbraw/zinc/00/12/32/169001232.db2.gz CHFLILSSKPIPDP-QMMMGPOBSA-N 2 2 196.254 0.159 20 0 ACADLP Cc1noc(C[N@@H+]2CC[C@H](C[NH3+])C2)n1 44995082 169002073 /nfs/dbraw/zinc/00/20/73/169002073.db2.gz CHFLILSSKPIPDP-MRVPVSSYSA-N 2 2 196.254 0.159 20 0 ACADLP Cc1noc(C[N@H+]2CC[C@H](C[NH3+])C2)n1 44995082 169002074 /nfs/dbraw/zinc/00/20/74/169002074.db2.gz CHFLILSSKPIPDP-MRVPVSSYSA-N 2 2 196.254 0.159 20 0 ACADLP Cn1cc(C[NH+]2CCC([NH3+])CC2)cn1 20521675 169037664 /nfs/dbraw/zinc/03/76/64/169037664.db2.gz KVXQMXSOEWSFCP-UHFFFAOYSA-N 2 2 194.282 0.343 20 0 ACADLP Cn1cc(C[N@@H+]2CCC[C@@H]2C[NH3+])cn1 20315786 169037952 /nfs/dbraw/zinc/03/79/52/169037952.db2.gz CTQXUUJOHSLQQU-SNVBAGLBSA-N 2 2 194.282 0.343 20 0 ACADLP Cn1cc(C[N@H+]2CCC[C@@H]2C[NH3+])cn1 20315786 169037954 /nfs/dbraw/zinc/03/79/54/169037954.db2.gz CTQXUUJOHSLQQU-SNVBAGLBSA-N 2 2 194.282 0.343 20 0 ACADLP Cn1cc(C[N@@H+]2CCC[C@H]2C[NH3+])cn1 20315790 169038541 /nfs/dbraw/zinc/03/85/41/169038541.db2.gz CTQXUUJOHSLQQU-JTQLQIEISA-N 2 2 194.282 0.343 20 0 ACADLP Cn1cc(C[N@H+]2CCC[C@H]2C[NH3+])cn1 20315790 169038543 /nfs/dbraw/zinc/03/85/43/169038543.db2.gz CTQXUUJOHSLQQU-JTQLQIEISA-N 2 2 194.282 0.343 20 0 ACADLP Cn1cc(C[NH2+][C@H]2CCC[NH2+]C2)cn1 43327527 169040417 /nfs/dbraw/zinc/04/04/17/169040417.db2.gz PLEOLDKNYDHKBW-JTQLQIEISA-N 2 2 194.282 0.262 20 0 ACADLP Cn1ccc(C[N@@H+]2CCC[NH2+]CC2)c1 71506620 169044387 /nfs/dbraw/zinc/04/43/87/169044387.db2.gz SKQWFQPEGOHOMP-UHFFFAOYSA-N 2 2 193.294 0.820 20 0 ACADLP Cn1ccc(C[N@H+]2CCC[NH2+]CC2)c1 71506620 169044388 /nfs/dbraw/zinc/04/43/88/169044388.db2.gz SKQWFQPEGOHOMP-UHFFFAOYSA-N 2 2 193.294 0.820 20 0 ACADLP Cn1cc[nH+]c1Cn1ccnc1C[NH3+] 51004213 169051020 /nfs/dbraw/zinc/05/10/20/169051020.db2.gz QZRQMRYHYNPRMX-UHFFFAOYSA-N 2 2 191.238 0.124 20 0 ACADLP Cn1c[nH+]c2c1C[C@@H]([NH3+])CC2 82407970 169054958 /nfs/dbraw/zinc/05/49/58/169054958.db2.gz QFOGPABVGAOTCZ-LURJTMIESA-N 2 2 151.213 0.236 20 0 ACADLP Cn1c[nH+]c2c1C[C@H]([NH3+])CC2 82407969 169055317 /nfs/dbraw/zinc/05/53/17/169055317.db2.gz QFOGPABVGAOTCZ-ZCFIWIBFSA-N 2 2 151.213 0.236 20 0 ACADLP Cn1c[nH+]c([C@H]2CC[NH2+]C2)c1 82407938 169055452 /nfs/dbraw/zinc/05/54/52/169055452.db2.gz ZTUCTLYWLYTWEI-ZETCQYMHSA-N 2 2 151.213 0.497 20 0 ACADLP Cn1c[nH+]c([C@@H]2CC[NH2+]C2)c1 82407937 169056829 /nfs/dbraw/zinc/05/68/29/169056829.db2.gz ZTUCTLYWLYTWEI-SSDOTTSWSA-N 2 2 151.213 0.497 20 0 ACADLP Cn1c[nH+]cc1CC[NH+]1CCOCC1 335491739 169058019 /nfs/dbraw/zinc/05/80/19/169058019.db2.gz IZWFBEZBNZAYKK-UHFFFAOYSA-N 2 2 195.266 0.295 20 0 ACADLP [NH3+]C[C@H]1CC[N@@H+](Cc2nccs2)C1 49533937 169216516 /nfs/dbraw/zinc/21/65/16/169216516.db2.gz KLFMICGKVHMIMK-MRVPVSSYSA-N 2 2 197.307 0.924 20 0 ACADLP [NH3+]C[C@H]1CC[N@H+](Cc2cscn2)C1 50247426 169216643 /nfs/dbraw/zinc/21/66/43/169216643.db2.gz XSSVSAULZXPNQL-MRVPVSSYSA-N 2 2 197.307 0.924 20 0 ACADLP [NH3+]C[C@H]1CC[N@@H+](Cc2cscn2)C1 50247426 169216644 /nfs/dbraw/zinc/21/66/44/169216644.db2.gz XSSVSAULZXPNQL-MRVPVSSYSA-N 2 2 197.307 0.924 20 0 ACADLP NC(=[NH2+])NCCCCn1cc[nH+]c1 52035838 169138088 /nfs/dbraw/zinc/13/80/88/169138088.db2.gz AQRKPNHLFKOAGK-UHFFFAOYSA-N 2 2 181.243 0.146 20 0 ACADLP [NH3+]CC[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 335394232 169186694 /nfs/dbraw/zinc/18/66/94/169186694.db2.gz FLYXXBXIDLXLRA-LLVKDONJSA-N 3 2 197.326 0.409 20 0 ACADLP [NH3+]CCN1CCC[C@H]1c1[nH]cc[nH+]1 335394296 169186781 /nfs/dbraw/zinc/18/67/81/169186781.db2.gz GZDDSWKDPPYCKP-QMMMGPOBSA-N 2 2 180.255 0.505 20 0 ACADLP [NH3+]CC[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 335394233 169186863 /nfs/dbraw/zinc/18/68/63/169186863.db2.gz FLYXXBXIDLXLRA-NSHDSACASA-N 3 2 197.326 0.409 20 0 ACADLP [NH3+]CC[NH+]1CCC(CCO)CC1 20160697 169186952 /nfs/dbraw/zinc/18/69/52/169186952.db2.gz UDVZYWFKJTYNGZ-UHFFFAOYSA-N 2 2 172.272 0.040 20 0 ACADLP [NH3+]CC[N@@H+]1CCCSCC1 42443319 169186971 /nfs/dbraw/zinc/18/69/71/169186971.db2.gz BJKKOCDIYRQMJO-UHFFFAOYSA-N 2 2 160.286 0.384 20 0 ACADLP [NH3+]CC[N@H+]1CCCSCC1 42443319 169186972 /nfs/dbraw/zinc/18/69/72/169186972.db2.gz BJKKOCDIYRQMJO-UHFFFAOYSA-N 2 2 160.286 0.384 20 0 ACADLP [NH3+]CCN1CCC[C@@H]1c1[nH]cc[nH+]1 335394295 169187475 /nfs/dbraw/zinc/18/74/75/169187475.db2.gz GZDDSWKDPPYCKP-MRVPVSSYSA-N 2 2 180.255 0.505 20 0 ACADLP [NH3+]CC[N@@H+]1CCC[C@H](n2cccn2)C1 307229976 169187501 /nfs/dbraw/zinc/18/75/01/169187501.db2.gz AGFGVRRHYISWDT-JTQLQIEISA-N 2 2 194.282 0.479 20 0 ACADLP [NH3+]CC[N@H+]1CCC[C@H](n2cccn2)C1 307229976 169187503 /nfs/dbraw/zinc/18/75/03/169187503.db2.gz AGFGVRRHYISWDT-JTQLQIEISA-N 2 2 194.282 0.479 20 0 ACADLP [NH3+]CC[N@@H+]1CCC[C@@H](n2cccn2)C1 307229982 169187613 /nfs/dbraw/zinc/18/76/13/169187613.db2.gz AGFGVRRHYISWDT-SNVBAGLBSA-N 2 2 194.282 0.479 20 0 ACADLP [NH3+]CC[N@H+]1CCC[C@@H](n2cccn2)C1 307229982 169187614 /nfs/dbraw/zinc/18/76/14/169187614.db2.gz AGFGVRRHYISWDT-SNVBAGLBSA-N 2 2 194.282 0.479 20 0 ACADLP [NH3+]CC[N@@H+]1CC[C@@H](c2cccnc2)C1 82890496 169188090 /nfs/dbraw/zinc/18/80/90/169188090.db2.gz ZHKFLKMQOMKALF-LLVKDONJSA-N 2 2 191.278 0.830 20 0 ACADLP [NH3+]CC[N@H+]1CC[C@@H](c2cccnc2)C1 82890496 169188091 /nfs/dbraw/zinc/18/80/91/169188091.db2.gz ZHKFLKMQOMKALF-LLVKDONJSA-N 2 2 191.278 0.830 20 0 ACADLP [NH3+]CC[N@@H+]1CC[C@H](c2cccnc2)C1 82890497 169188526 /nfs/dbraw/zinc/18/85/26/169188526.db2.gz ZHKFLKMQOMKALF-NSHDSACASA-N 2 2 191.278 0.830 20 0 ACADLP [NH3+]CC[N@H+]1CC[C@H](c2cccnc2)C1 82890497 169188527 /nfs/dbraw/zinc/18/85/27/169188527.db2.gz ZHKFLKMQOMKALF-NSHDSACASA-N 2 2 191.278 0.830 20 0 ACADLP [NH3+]CC[NH2+]Cc1ccc(Cl)nc1 34414350 169189419 /nfs/dbraw/zinc/18/94/19/169189419.db2.gz HKSZSGAPTPXYTI-UHFFFAOYSA-N 2 2 185.658 0.783 20 0 ACADLP [NH3+]CC[NH2+]Cc1cnc(Cl)s1 142641571 169190117 /nfs/dbraw/zinc/19/01/17/169190117.db2.gz BSWNQFPLXGXPOL-UHFFFAOYSA-N 2 2 191.687 0.845 20 0 ACADLP [NH3+]C[C@@H]([NH3+])c1cccc(F)c1F 72200081 169202985 /nfs/dbraw/zinc/20/29/85/169202985.db2.gz FQBMUXNXWGYMHY-SSDOTTSWSA-N 2 2 172.178 0.923 20 0 ACADLP [NH3+]C[C@@H]([NH3+])c1cc(F)cc(F)c1 72200083 169203259 /nfs/dbraw/zinc/20/32/59/169203259.db2.gz QBHAAQKLCKGPML-MRVPVSSYSA-N 2 2 172.178 0.923 20 0 ACADLP [NH3+]C[C@@H]([NH3+])c1cccc(OCCO)c1 44470052 169203901 /nfs/dbraw/zinc/20/39/01/169203901.db2.gz ADAXLSAQUWXWEF-SNVBAGLBSA-N 2 2 196.250 0.016 20 0 ACADLP [NH3+]C[C@@H]1CC[N@H+](Cc2nccs2)C1 49533938 169207441 /nfs/dbraw/zinc/20/74/41/169207441.db2.gz KLFMICGKVHMIMK-QMMMGPOBSA-N 2 2 197.307 0.924 20 0 ACADLP [NH3+]C[C@@H]1CC[N@@H+](Cc2nccs2)C1 49533938 169207442 /nfs/dbraw/zinc/20/74/42/169207442.db2.gz KLFMICGKVHMIMK-QMMMGPOBSA-N 2 2 197.307 0.924 20 0 ACADLP [NH3+]C[C@@H]1CC[N@H+](Cc2cscn2)C1 50247428 169208019 /nfs/dbraw/zinc/20/80/19/169208019.db2.gz XSSVSAULZXPNQL-QMMMGPOBSA-N 2 2 197.307 0.924 20 0 ACADLP [NH3+]C[C@@H]1CC[N@@H+](Cc2cscn2)C1 50247428 169208020 /nfs/dbraw/zinc/20/80/20/169208020.db2.gz XSSVSAULZXPNQL-QMMMGPOBSA-N 2 2 197.307 0.924 20 0 ACADLP [NH3+]C[C@@H]1CCC[N@H+](Cc2ccon2)C1 307396468 169208398 /nfs/dbraw/zinc/20/83/98/169208398.db2.gz PALHVEZDRLZWMZ-VIFPVBQESA-N 2 2 195.266 0.845 20 0 ACADLP [NH3+]C[C@@H]1CCC[N@@H+](Cc2ccon2)C1 307396468 169208399 /nfs/dbraw/zinc/20/83/99/169208399.db2.gz PALHVEZDRLZWMZ-VIFPVBQESA-N 2 2 195.266 0.845 20 0 ACADLP [NH3+]C[C@@H]1CCC[N@H+](Cc2cc[nH]n2)C1 238568989 169208760 /nfs/dbraw/zinc/20/87/60/169208760.db2.gz OAOGZNFFLWTCQT-VIFPVBQESA-N 2 2 194.282 0.580 20 0 ACADLP [NH3+]C[C@@H]1CCC[N@@H+](Cc2cc[nH]n2)C1 238568989 169208762 /nfs/dbraw/zinc/20/87/62/169208762.db2.gz OAOGZNFFLWTCQT-VIFPVBQESA-N 2 2 194.282 0.580 20 0 ACADLP [NH3+]C[C@@H]1C[C@@H]2CSC[N@@H+]2C1 215690578 169210447 /nfs/dbraw/zinc/21/04/47/169210447.db2.gz DYUJJPNUIBPMRM-NKWVEPMBSA-N 2 2 158.270 0.340 20 0 ACADLP [NH3+]C[C@@H]1C[C@@H]2CSC[N@H+]2C1 215690578 169210449 /nfs/dbraw/zinc/21/04/49/169210449.db2.gz DYUJJPNUIBPMRM-NKWVEPMBSA-N 2 2 158.270 0.340 20 0 ACADLP [NH3+]C[C@@H]1[NH2+]CCc2cc(F)ccc21 97757610 169210712 /nfs/dbraw/zinc/21/07/12/169210712.db2.gz BGIJVAVYNWOLGD-JTQLQIEISA-N 2 2 180.226 0.971 20 0 ACADLP [NH3+]C[C@@H]1C[C@H]2CSC[N@@H+]2C1 95828850 169210865 /nfs/dbraw/zinc/21/08/65/169210865.db2.gz DYUJJPNUIBPMRM-BQBZGAKWSA-N 2 2 158.270 0.340 20 0 ACADLP [NH3+]C[C@@H]1C[C@H]2CSC[N@H+]2C1 95828850 169210866 /nfs/dbraw/zinc/21/08/66/169210866.db2.gz DYUJJPNUIBPMRM-BQBZGAKWSA-N 2 2 158.270 0.340 20 0 ACADLP [NH3+]C[C@H]([NH3+])c1cccc(OCCO)c1 44470055 169212279 /nfs/dbraw/zinc/21/22/79/169212279.db2.gz ADAXLSAQUWXWEF-JTQLQIEISA-N 2 2 196.250 0.016 20 0 ACADLP [NH3+]C[C@H]([NH3+])c1cccc(F)c1F 72200082 169212776 /nfs/dbraw/zinc/21/27/76/169212776.db2.gz FQBMUXNXWGYMHY-ZETCQYMHSA-N 2 2 172.178 0.923 20 0 ACADLP [NH3+]C[C@H]([NH3+])c1cc(F)cc(F)c1 72200084 169213084 /nfs/dbraw/zinc/21/30/84/169213084.db2.gz QBHAAQKLCKGPML-QMMMGPOBSA-N 2 2 172.178 0.923 20 0 ACADLP [NH3+]C[C@H]1CCC[N@H+](Cc2ccon2)C1 307396467 169214923 /nfs/dbraw/zinc/21/49/23/169214923.db2.gz PALHVEZDRLZWMZ-SECBINFHSA-N 2 2 195.266 0.845 20 0 ACADLP [NH3+]C[C@H]1CCC[N@@H+](Cc2ccon2)C1 307396467 169214925 /nfs/dbraw/zinc/21/49/25/169214925.db2.gz PALHVEZDRLZWMZ-SECBINFHSA-N 2 2 195.266 0.845 20 0 ACADLP [NH3+]C[C@H]1CCC[N@H+](Cc2cc[nH]n2)C1 238568319 169215140 /nfs/dbraw/zinc/21/51/40/169215140.db2.gz OAOGZNFFLWTCQT-SECBINFHSA-N 2 2 194.282 0.580 20 0 ACADLP [NH3+]C[C@H]1CCC[N@@H+](Cc2cc[nH]n2)C1 238568319 169215141 /nfs/dbraw/zinc/21/51/41/169215141.db2.gz OAOGZNFFLWTCQT-SECBINFHSA-N 2 2 194.282 0.580 20 0 ACADLP [NH3+]C[C@H]1CCC[N@@H+]1CCn1cccn1 49314771 169215435 /nfs/dbraw/zinc/21/54/35/169215435.db2.gz NMXHXNFBJZPNOC-SNVBAGLBSA-N 2 2 194.282 0.306 20 0 ACADLP [NH3+]C[C@H]1CCC[N@H+]1CCn1cccn1 49314771 169215436 /nfs/dbraw/zinc/21/54/36/169215436.db2.gz NMXHXNFBJZPNOC-SNVBAGLBSA-N 2 2 194.282 0.306 20 0 ACADLP [NH3+]C[C@H]1CC[N@H+](Cc2nccs2)C1 49533937 169216515 /nfs/dbraw/zinc/21/65/15/169216515.db2.gz KLFMICGKVHMIMK-MRVPVSSYSA-N 2 2 197.307 0.924 20 0 ACADLP [NH3+]Cc1cc2[nH+]ccn2[nH]1 82823280 169220324 /nfs/dbraw/zinc/22/03/24/169220324.db2.gz JWOJBUMGYDBFQT-UHFFFAOYSA-N 2 2 136.158 0.121 20 0 ACADLP [NH3+][C@@H]1CCCC[C@H]1[NH2+]Cc1cc[nH]n1 334617266 169251798 /nfs/dbraw/zinc/25/17/98/169251798.db2.gz XAZAKNXKVLMQGE-NXEZZACHSA-N 2 2 194.282 0.769 20 0 ACADLP [NH3+][C@@H]1CCC[N@H+](CCn2cccn2)C1 49326213 169252236 /nfs/dbraw/zinc/25/22/36/169252236.db2.gz UKNFJQWCUCCKPF-SNVBAGLBSA-N 2 2 194.282 0.306 20 0 ACADLP [NH3+][C@@H]1CCC[N@@H+](CCn2cccn2)C1 49326213 169252238 /nfs/dbraw/zinc/25/22/38/169252238.db2.gz UKNFJQWCUCCKPF-SNVBAGLBSA-N 2 2 194.282 0.306 20 0 ACADLP [NH3+][C@@H]1CCCC[C@H]1[NH2+]CCF 335282889 169252571 /nfs/dbraw/zinc/25/25/71/169252571.db2.gz YCKCUAKFSLYXIY-HTQZYQBOSA-N 2 2 160.236 0.815 20 0 ACADLP [NH3+][C@@H]1CC[N@H+](CCc2cccnc2)C1 37718533 169254971 /nfs/dbraw/zinc/25/49/71/169254971.db2.gz FLJWZCOTGDUURW-LLVKDONJSA-N 2 2 191.278 0.657 20 0 ACADLP [NH3+][C@@H]1CC[N@@H+](CCc2cccnc2)C1 37718533 169254972 /nfs/dbraw/zinc/25/49/72/169254972.db2.gz FLJWZCOTGDUURW-LLVKDONJSA-N 2 2 191.278 0.657 20 0 ACADLP [NH3+][C@@H]1CCc2[nH+]cc(Cl)n2C1 84332302 169256457 /nfs/dbraw/zinc/25/64/57/169256457.db2.gz VQLNJVLFIVVBNJ-RXMQYKEDSA-N 2 2 171.631 0.810 20 0 ACADLP [NH3+][C@H]1CCC[N@H+](C[C@H]2CCCCO2)C1 41029148 169272422 /nfs/dbraw/zinc/27/24/22/169272422.db2.gz HJJHJWSBKJIAQS-WDEREUQCSA-N 2 2 198.310 0.979 20 0 ACADLP [NH3+][C@H]1CCC[N@@H+](C[C@H]2CCCCO2)C1 41029148 169272424 /nfs/dbraw/zinc/27/24/24/169272424.db2.gz HJJHJWSBKJIAQS-WDEREUQCSA-N 2 2 198.310 0.979 20 0 ACADLP [NH3+][C@H]1CCC[N@H+](C[C@@H]2CCCCO2)C1 41029147 169272478 /nfs/dbraw/zinc/27/24/78/169272478.db2.gz HJJHJWSBKJIAQS-QWRGUYRKSA-N 2 2 198.310 0.979 20 0 ACADLP [NH3+][C@H]1CCC[N@@H+](C[C@@H]2CCCCO2)C1 41029147 169272479 /nfs/dbraw/zinc/27/24/79/169272479.db2.gz HJJHJWSBKJIAQS-QWRGUYRKSA-N 2 2 198.310 0.979 20 0 ACADLP [NH3+][C@H]1CCC[N@H+](CCn2cccn2)C1 49326210 169272770 /nfs/dbraw/zinc/27/27/70/169272770.db2.gz UKNFJQWCUCCKPF-JTQLQIEISA-N 2 2 194.282 0.306 20 0 ACADLP [NH3+][C@H]1CCC[N@@H+](CCn2cccn2)C1 49326210 169272771 /nfs/dbraw/zinc/27/27/71/169272771.db2.gz UKNFJQWCUCCKPF-JTQLQIEISA-N 2 2 194.282 0.306 20 0 ACADLP [NH3+][C@H]1CC[N@H+](CCc2cccnc2)C1 37718532 169274486 /nfs/dbraw/zinc/27/44/86/169274486.db2.gz FLJWZCOTGDUURW-NSHDSACASA-N 2 2 191.278 0.657 20 0 ACADLP [NH3+][C@H]1CC[N@@H+](CCc2cccnc2)C1 37718532 169274488 /nfs/dbraw/zinc/27/44/88/169274488.db2.gz FLJWZCOTGDUURW-NSHDSACASA-N 2 2 191.278 0.657 20 0 ACADLP [NH3+][C@H]1CC[N@H+](C[C@@H]2CCCCO2)C1 42821639 169274885 /nfs/dbraw/zinc/27/48/85/169274885.db2.gz MRBCQHNMQUYENM-UWVGGRQHSA-N 2 2 184.283 0.589 20 0 ACADLP [NH3+][C@H]1CC[N@@H+](C[C@@H]2CCCCO2)C1 42821639 169274886 /nfs/dbraw/zinc/27/48/86/169274886.db2.gz MRBCQHNMQUYENM-UWVGGRQHSA-N 2 2 184.283 0.589 20 0 ACADLP [NH3+][C@H]1CC[N@H+](C[C@H]2CCCCO2)C1 42821643 169275168 /nfs/dbraw/zinc/27/51/68/169275168.db2.gz MRBCQHNMQUYENM-VHSXEESVSA-N 2 2 184.283 0.589 20 0 ACADLP [NH3+][C@H]1CC[N@@H+](C[C@H]2CCCCO2)C1 42821643 169275169 /nfs/dbraw/zinc/27/51/69/169275169.db2.gz MRBCQHNMQUYENM-VHSXEESVSA-N 2 2 184.283 0.589 20 0 ACADLP [NH3+][C@H]1CCc2[nH+]cc(Cl)n2C1 84332300 169276880 /nfs/dbraw/zinc/27/68/80/169276880.db2.gz VQLNJVLFIVVBNJ-YFKPBYRVSA-N 2 2 171.631 0.810 20 0 ACADLP Nc1cc(-n2cc[nH+]c2)cc[nH+]1 72192448 169284580 /nfs/dbraw/zinc/28/45/80/169284580.db2.gz DISRWDLJPSEPNV-UHFFFAOYSA-N 2 2 160.180 0.850 20 0 ACADLP Nc1cc(CN2CC[NH2+]CC2)cc[nH+]1 82636880 169285215 /nfs/dbraw/zinc/28/52/15/169285215.db2.gz FVZCKRJXWSZNQD-UHFFFAOYSA-N 2 2 192.266 0.069 20 0 ACADLP Nc1cc(Cn2cc[nH+]c2)cc[nH+]1 52732310 169285882 /nfs/dbraw/zinc/28/58/82/169285882.db2.gz XMUFXEIBZKWRCX-UHFFFAOYSA-N 2 2 174.207 0.909 20 0 ACADLP Nc1cccc(C[N@@H+]2CC[C@H]([NH3+])C2)c1 306414199 169296306 /nfs/dbraw/zinc/29/63/06/169296306.db2.gz NVMFIELVEAQAIV-NSHDSACASA-N 2 2 191.278 0.802 20 0 ACADLP Nc1cccc(C[N@H+]2CC[C@H]([NH3+])C2)c1 306414199 169296307 /nfs/dbraw/zinc/29/63/07/169296307.db2.gz NVMFIELVEAQAIV-NSHDSACASA-N 2 2 191.278 0.802 20 0 ACADLP Nc1cccc(C[N@@H+]2CC[C@@H]([NH3+])C2)c1 306639241 169296827 /nfs/dbraw/zinc/29/68/27/169296827.db2.gz NVMFIELVEAQAIV-LLVKDONJSA-N 2 2 191.278 0.802 20 0 ACADLP Nc1cccc(C[N@H+]2CC[C@@H]([NH3+])C2)c1 306639241 169296829 /nfs/dbraw/zinc/29/68/29/169296829.db2.gz NVMFIELVEAQAIV-LLVKDONJSA-N 2 2 191.278 0.802 20 0 ACADLP Nc1cc[nH+]c(OC2CC[NH2+]CC2)c1 307344496 169300641 /nfs/dbraw/zinc/30/06/41/169300641.db2.gz ZHTVQTRICFYADU-UHFFFAOYSA-N 2 2 193.250 0.795 20 0 ACADLP Nc1[nH+]cccc1-n1cc[nH+]c1 74341875 169308840 /nfs/dbraw/zinc/30/88/40/169308840.db2.gz AUBIEKYLOHYCHT-UHFFFAOYSA-N 2 2 160.180 0.850 20 0 ACADLP [NH3+]C[C@H]1C[C@H]2CSC[N@@H+]2C1 95828848 169217235 /nfs/dbraw/zinc/21/72/35/169217235.db2.gz DYUJJPNUIBPMRM-RQJHMYQMSA-N 2 2 158.270 0.340 20 0 ACADLP [NH3+]C[C@H]1C[C@H]2CSC[N@H+]2C1 95828848 169217237 /nfs/dbraw/zinc/21/72/37/169217237.db2.gz DYUJJPNUIBPMRM-RQJHMYQMSA-N 2 2 158.270 0.340 20 0 ACADLP [NH3+]C[C@H]1C[C@@H]2CSC[N@@H+]2C1 215690626 169217483 /nfs/dbraw/zinc/21/74/83/169217483.db2.gz DYUJJPNUIBPMRM-RNFRBKRXSA-N 2 2 158.270 0.340 20 0 ACADLP [NH3+]C[C@H]1C[C@@H]2CSC[N@H+]2C1 215690626 169217484 /nfs/dbraw/zinc/21/74/84/169217484.db2.gz DYUJJPNUIBPMRM-RNFRBKRXSA-N 2 2 158.270 0.340 20 0 ACADLP [NH3+]C[C@H]1[NH2+]CCc2cc(F)ccc21 97757609 169218103 /nfs/dbraw/zinc/21/81/03/169218103.db2.gz BGIJVAVYNWOLGD-SNVBAGLBSA-N 2 2 180.226 0.971 20 0 ACADLP O[C@H]1CC[NH2+]C[C@@H]1[NH+]1CCCCC1 144322507 344026049 /nfs/dbraw/zinc/02/60/49/344026049.db2.gz ORKGUTCLIPUOBW-UWVGGRQHSA-N 2 2 184.283 0.195 20 0 ACADLP Cc1ccccc1[C@H]([NH3+])C[NH3+] 35677078 171058732 /nfs/dbraw/zinc/05/87/32/171058732.db2.gz HBAJNQDYMXPGGO-SECBINFHSA-N 2 2 150.225 0.954 20 0 ACADLP Cc1ccccc1[C@@H]([NH3+])C[NH3+] 35677079 171059288 /nfs/dbraw/zinc/05/92/88/171059288.db2.gz HBAJNQDYMXPGGO-VIFPVBQESA-N 2 2 150.225 0.954 20 0 ACADLP [NH3+]C1CC[NH+](Cc2ccno2)CC1 36754189 171061703 /nfs/dbraw/zinc/06/17/03/171061703.db2.gz DIPFZTWYMQJPII-UHFFFAOYSA-N 2 2 181.239 0.598 20 0 ACADLP CN(C)c1[nH+]cc2n1CC[NH2+]C2 39082284 171073659 /nfs/dbraw/zinc/07/36/59/171073659.db2.gz ORZKGRDBRIQEEF-UHFFFAOYSA-N 2 2 166.228 0.052 20 0 ACADLP CN1CC[C@@H]([NH2+]C2CC[NH+](C)CC2)C1 42543877 171086575 /nfs/dbraw/zinc/08/65/75/171086575.db2.gz DXTDQKMFXLVXJA-LLVKDONJSA-N 2 2 197.326 0.374 20 0 ACADLP CN1CC[C@H]([NH2+]C2CC[NH+](C)CC2)C1 42543879 171086875 /nfs/dbraw/zinc/08/68/75/171086875.db2.gz DXTDQKMFXLVXJA-NSHDSACASA-N 2 2 197.326 0.374 20 0 ACADLP C[NH+]1CCC([NH2+]Cc2cnc[nH]2)CC1 54764039 171099179 /nfs/dbraw/zinc/09/91/79/171099179.db2.gz JIUUSXWCYHOCPX-UHFFFAOYSA-N 2 2 194.282 0.594 20 0 ACADLP C[N@@H+]1CCCC[C@@H]1c1nnc(C[NH3+])o1 95828872 171139683 /nfs/dbraw/zinc/13/96/83/171139683.db2.gz KYUSNXVBMANUSB-SSDOTTSWSA-N 2 2 196.254 0.685 20 0 ACADLP C[N@H+]1CCCC[C@@H]1c1nnc(C[NH3+])o1 95828872 171139685 /nfs/dbraw/zinc/13/96/85/171139685.db2.gz KYUSNXVBMANUSB-SSDOTTSWSA-N 2 2 196.254 0.685 20 0 ACADLP C[N@@H+]1CCCC[C@H]1c1nnc(C[NH3+])o1 95828873 171139763 /nfs/dbraw/zinc/13/97/63/171139763.db2.gz KYUSNXVBMANUSB-ZETCQYMHSA-N 2 2 196.254 0.685 20 0 ACADLP C[N@H+]1CCCC[C@H]1c1nnc(C[NH3+])o1 95828873 171139766 /nfs/dbraw/zinc/13/97/66/171139766.db2.gz KYUSNXVBMANUSB-ZETCQYMHSA-N 2 2 196.254 0.685 20 0 ACADLP c1c[nH+]c(CNCC[NH+]2CCCC2)[nH]1 49714664 171154164 /nfs/dbraw/zinc/15/41/64/171154164.db2.gz KEGFWHAVYNFUFY-UHFFFAOYSA-N 2 2 194.282 0.595 20 0 ACADLP c1cc(C[N@@H+]2C[C@@H]3C[NH2+]C[C@@H]3C2)n[nH]1 307579563 171179890 /nfs/dbraw/zinc/17/98/90/171179890.db2.gz PWBBYWGBZZFBPL-DTORHVGOSA-N 2 2 192.266 0.061 20 0 ACADLP c1cc(C[N@H+]2C[C@@H]3C[NH2+]C[C@@H]3C2)n[nH]1 307579563 171179891 /nfs/dbraw/zinc/17/98/91/171179891.db2.gz PWBBYWGBZZFBPL-DTORHVGOSA-N 2 2 192.266 0.061 20 0 ACADLP C1C[NH2+]CC[N@H+](CC2CCOCC2)C1 52170971 171194352 /nfs/dbraw/zinc/19/43/52/171194352.db2.gz FMGXENDSQUFIOG-UHFFFAOYSA-N 2 2 198.310 0.708 20 0 ACADLP C1C[NH2+]CC[N@@H+](CC2CCOCC2)C1 52170971 171194353 /nfs/dbraw/zinc/19/43/53/171194353.db2.gz FMGXENDSQUFIOG-UHFFFAOYSA-N 2 2 198.310 0.708 20 0 ACADLP [NH3+]CC1(c2c[nH+]c[nH]2)CC1 60312183 171197043 /nfs/dbraw/zinc/19/70/43/171197043.db2.gz VIZOMLFVORAVNI-UHFFFAOYSA-N 2 2 137.186 0.400 20 0 ACADLP [NH3+]CC1(c2c[nH]c[nH+]2)CC1 60312183 171197044 /nfs/dbraw/zinc/19/70/44/171197044.db2.gz VIZOMLFVORAVNI-UHFFFAOYSA-N 2 2 137.186 0.400 20 0 ACADLP Cc1c[nH+]ccc1NC(=O)C[NH+](C)C 336438939 171210448 /nfs/dbraw/zinc/21/04/48/171210448.db2.gz AQNZLRMGEZVWJC-UHFFFAOYSA-N 2 2 193.250 0.312 20 0 ACADLP C1C[NH2+]CC[N@H+](CC2CC2)C1 36765127 171217032 /nfs/dbraw/zinc/21/70/32/171217032.db2.gz AFRLYMFLBOYRAF-UHFFFAOYSA-N 2 2 154.257 0.692 20 0 ACADLP C1C[NH2+]CC[N@@H+](CC2CC2)C1 36765127 171217034 /nfs/dbraw/zinc/21/70/34/171217034.db2.gz AFRLYMFLBOYRAF-UHFFFAOYSA-N 2 2 154.257 0.692 20 0 ACADLP C1C[NH2+]CC[N@H+](CC2CC[NH2+]CC2)C1 43497733 171217732 /nfs/dbraw/zinc/21/77/32/171217732.db2.gz ONKLYTATAXDPSY-UHFFFAOYSA-N 3 2 197.326 0.281 20 0 ACADLP C1C[NH2+]CC[N@@H+](CC2CC[NH2+]CC2)C1 43497733 171217735 /nfs/dbraw/zinc/21/77/35/171217735.db2.gz ONKLYTATAXDPSY-UHFFFAOYSA-N 3 2 197.326 0.281 20 0 ACADLP C1C[NH2+]C[C@@H]([NH2+]C[C@@H]2CCCO2)C1 43324380 171217864 /nfs/dbraw/zinc/21/78/64/171217864.db2.gz GBIPLWUJHJDDNT-UWVGGRQHSA-N 2 2 184.283 0.507 20 0 ACADLP C1C[NH2+]C[C@@H]([NH2+]C[C@H]2CCCO2)C1 43324384 171217986 /nfs/dbraw/zinc/21/79/86/171217986.db2.gz GBIPLWUJHJDDNT-VHSXEESVSA-N 2 2 184.283 0.507 20 0 ACADLP C[C@H]([NH3+])C[N@@H+]1CCCO[C@@H](C)C1 156540610 344090421 /nfs/dbraw/zinc/09/04/21/344090421.db2.gz SARLNSLKDPMNGR-IUCAKERBSA-N 2 2 172.272 0.444 20 0 ACADLP C[C@H]([NH3+])C[N@H+]1CCCO[C@@H](C)C1 156540610 344090422 /nfs/dbraw/zinc/09/04/22/344090422.db2.gz SARLNSLKDPMNGR-IUCAKERBSA-N 2 2 172.272 0.444 20 0 ACADLP C[C@H]([NH3+])C[N@@H+]1C[C@@H](C)OC(C)(C)C1 158480042 344127509 /nfs/dbraw/zinc/12/75/09/344127509.db2.gz SJBWHKYSUJUFLA-DTWKUNHWSA-N 2 2 186.299 0.833 20 0 ACADLP C[C@H]([NH3+])C[N@H+]1C[C@@H](C)OC(C)(C)C1 158480042 344127510 /nfs/dbraw/zinc/12/75/10/344127510.db2.gz SJBWHKYSUJUFLA-DTWKUNHWSA-N 2 2 186.299 0.833 20 0 ACADLP C[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCOC1 165730699 344268275 /nfs/dbraw/zinc/26/82/75/344268275.db2.gz FDWKAGOJLGDMAX-NXEZZACHSA-N 2 2 184.283 0.459 20 0 ACADLP C[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCOC1 165730699 344268276 /nfs/dbraw/zinc/26/82/76/344268276.db2.gz FDWKAGOJLGDMAX-NXEZZACHSA-N 2 2 184.283 0.459 20 0 ACADLP C[C@@H]([NH3+])C[NH+]1CCC(F)CC1 167014731 344295359 /nfs/dbraw/zinc/29/53/59/344295359.db2.gz DFLUMVCETIISRL-SSDOTTSWSA-N 2 2 160.236 0.768 20 0 ACADLP Cc1nc(N2CC[NH+](C)CC2)cc[nH+]1 202499424 344367268 /nfs/dbraw/zinc/36/72/68/344367268.db2.gz FNWVSOBTBPEVDU-UHFFFAOYSA-N 2 2 192.266 0.537 20 0 ACADLP C[C@]1(O)CC[N@@H+](CCn2cc[nH+]c2)C1 230069951 344625281 /nfs/dbraw/zinc/62/52/81/344625281.db2.gz ZOLVHBINCKLKLX-JTQLQIEISA-N 2 2 195.266 0.340 20 0 ACADLP C[C@H](O)C[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2 235567235 344755846 /nfs/dbraw/zinc/75/58/46/344755846.db2.gz KDZBHSMLUUKONR-AEJSXWLSSA-N 2 2 184.283 0.194 20 0 ACADLP Cn1cc[nH+]c1Cn1cc[nH+]c1N 236076856 344772455 /nfs/dbraw/zinc/77/24/55/344772455.db2.gz LLJKVYRVMDVOCW-UHFFFAOYSA-N 2 2 177.211 0.247 20 0 ACADLP C[N@H+](C[C@@H]1CCCCO1)[C@H]1CC[NH2+]C1 250435265 344833985 /nfs/dbraw/zinc/83/39/85/344833985.db2.gz RWVLHPCUHKCASW-QWRGUYRKSA-N 2 2 198.310 0.849 20 0 ACADLP C[N@@H+](C[C@@H]1CCCCO1)[C@H]1CC[NH2+]C1 250435265 344833986 /nfs/dbraw/zinc/83/39/86/344833986.db2.gz RWVLHPCUHKCASW-QWRGUYRKSA-N 2 2 198.310 0.849 20 0 ACADLP C[N@@H+]1CCC[C@H]([NH2+]C[C@H]2CCCO2)C1 250645705 344838361 /nfs/dbraw/zinc/83/83/61/344838361.db2.gz VFIDHGZUXAWRAX-WDEREUQCSA-N 2 2 198.310 0.849 20 0 ACADLP C[N@H+]1CCC[C@H]([NH2+]C[C@H]2CCCO2)C1 250645705 344838362 /nfs/dbraw/zinc/83/83/62/344838362.db2.gz VFIDHGZUXAWRAX-WDEREUQCSA-N 2 2 198.310 0.849 20 0 ACADLP C[N@H+]1CC[C@H]([NH2+][C@H]2CCCOCC2)C1 250665891 344839398 /nfs/dbraw/zinc/83/93/98/344839398.db2.gz ZSLFAPVIZROBCG-QWRGUYRKSA-N 2 2 198.310 0.849 20 0 ACADLP C[NH2+][C@H]1CC[N@@H+]([C@H]2CCOC2)C1 250751908 344840477 /nfs/dbraw/zinc/84/04/77/344840477.db2.gz PDYOGVLHJYCFLD-IUCAKERBSA-N 2 2 170.256 0.069 20 0 ACADLP C[NH2+][C@H]1CC[N@H+]([C@H]2CCOC2)C1 250751908 344840478 /nfs/dbraw/zinc/84/04/78/344840478.db2.gz PDYOGVLHJYCFLD-IUCAKERBSA-N 2 2 170.256 0.069 20 0 ACADLP C[NH2+][C@@H]1CC[N@H+]([C@H]2CCOC2)C1 250751906 344840516 /nfs/dbraw/zinc/84/05/16/344840516.db2.gz PDYOGVLHJYCFLD-BDAKNGLRSA-N 2 2 170.256 0.069 20 0 ACADLP C[C@H](C[NH3+])[N@H+](C)C[C@H]1CCCCO1 251084514 344846577 /nfs/dbraw/zinc/84/65/77/344846577.db2.gz ISRMLIONAHLNIJ-NXEZZACHSA-N 2 2 186.299 0.835 20 0 ACADLP C[C@@H](C[NH3+])[N@H+](C)C[C@H]1CCCCO1 251084518 344846722 /nfs/dbraw/zinc/84/67/22/344846722.db2.gz ISRMLIONAHLNIJ-VHSXEESVSA-N 2 2 186.299 0.835 20 0 ACADLP C[C@@H](C[NH3+])[N@@H+](C)C[C@H]1CCCCO1 251084518 344846725 /nfs/dbraw/zinc/84/67/25/344846725.db2.gz ISRMLIONAHLNIJ-VHSXEESVSA-N 2 2 186.299 0.835 20 0 ACADLP O[C@H]1CC[C@H]([NH2+]Cc2c[nH+]c[nH]2)CC1 252705809 344909779 /nfs/dbraw/zinc/90/97/79/344909779.db2.gz RKSAKUCMANLZIJ-CZMCAQCFSA-N 2 2 195.266 0.803 20 0 ACADLP C1C[C@H]([N@@H+]2CC[C@H]3CC[C@@H](C2)[NH2+]3)CO1 252688465 344908270 /nfs/dbraw/zinc/90/82/70/344908270.db2.gz OJFBNQKRTJXZGT-VWYCJHECSA-N 2 2 196.294 0.602 20 0 ACADLP C1C[C@H]([N@H+]2CC[C@H]3CC[C@@H](C2)[NH2+]3)CO1 252688465 344908272 /nfs/dbraw/zinc/90/82/72/344908272.db2.gz OJFBNQKRTJXZGT-VWYCJHECSA-N 2 2 196.294 0.602 20 0 ACADLP CO[C@@H]1CC[N@H+](C[C@H]2CCC[NH2+]2)C1 300037027 344964660 /nfs/dbraw/zinc/96/46/60/344964660.db2.gz BXEQLOARDXUASF-NXEZZACHSA-N 2 2 184.283 0.459 20 0 ACADLP C[C@@H]1CC[C@H](C[N@@H+]2C[C@@H]([NH3+])[C@H](C)C2)O1 300050178 344967995 /nfs/dbraw/zinc/96/79/95/344967995.db2.gz XXXMDAHHGXGHQC-GWOFURMSSA-N 2 2 198.310 0.833 20 0 ACADLP C[C@H]1C[C@H](O)C[N@H+]1CCn1cc[nH+]c1 306257500 345148102 /nfs/dbraw/zinc/14/81/02/345148102.db2.gz YTVAKTGEWIXHLJ-UWVGGRQHSA-N 2 2 195.266 0.338 20 0 ACADLP C[C@@H]1CN(Cc2[nH]cc[nH+]2)C[C@H]1[NH3+] 306479097 345346337 /nfs/dbraw/zinc/34/63/37/345346337.db2.gz BAEVKHWXCMVXGS-HTQZYQBOSA-N 2 2 180.255 0.189 20 0 ACADLP CC1(O)C[NH+](C[C@@H]2CCC[NH2+]C2)C1 306566315 345443037 /nfs/dbraw/zinc/44/30/37/345443037.db2.gz SLNDODXOCWINAC-SECBINFHSA-N 2 2 184.283 0.053 20 0 ACADLP Cn1nccc1C[N@@H+](C)C1CC([NH3+])C1 306742523 345586847 /nfs/dbraw/zinc/58/68/47/345586847.db2.gz VYMINEZPPWFFSF-UHFFFAOYSA-N 2 2 194.282 0.342 20 0 ACADLP C[C@]1(C[N@@H+]2CC[C@@H](C[NH3+])C2)CC[NH2+]C1 307211288 345894287 /nfs/dbraw/zinc/89/42/87/345894287.db2.gz SRJWYQZEVQPOKO-QWRGUYRKSA-N 3 2 197.326 0.267 20 0 ACADLP C[C@]1(C[N@H+]2CC[C@@H](C[NH3+])C2)CC[NH2+]C1 307211288 345894288 /nfs/dbraw/zinc/89/42/88/345894288.db2.gz SRJWYQZEVQPOKO-QWRGUYRKSA-N 3 2 197.326 0.267 20 0 ACADLP C[N@H+](Cc1cc[nH]n1)C1CC[NH2+]CC1 307691770 346186673 /nfs/dbraw/zinc/18/66/73/346186673.db2.gz QHDISHISAREYSV-UHFFFAOYSA-N 2 2 194.282 0.594 20 0 ACADLP C[N@@H+](Cc1cc[nH]n1)C1CC[NH2+]CC1 307691770 346186675 /nfs/dbraw/zinc/18/66/75/346186675.db2.gz QHDISHISAREYSV-UHFFFAOYSA-N 2 2 194.282 0.594 20 0 ACADLP COCC1(C)CC[NH+](CC[NH3+])CC1 308272823 346279337 /nfs/dbraw/zinc/27/93/37/346279337.db2.gz TUZOELAOZAYTGR-UHFFFAOYSA-N 2 2 186.299 0.694 20 0 ACADLP C[NH+](C)[C@H]1CCC[N@@H+](CC(N)=O)CC1 336514507 346468919 /nfs/dbraw/zinc/46/89/19/346468919.db2.gz UIOHOPPHCVCCNJ-VIFPVBQESA-N 2 2 199.298 0.938 20 0 ACADLP C[C@H]1C[N@@H+](CCn2cc[nH+]c2)CCO1 336554733 346473384 /nfs/dbraw/zinc/47/33/84/346473384.db2.gz OWBSKSGSOPNVQK-JTQLQIEISA-N 2 2 195.266 0.604 20 0 ACADLP CCOC[C@H]1CCC[N@H+](CC[NH3+])C1 379377899 346510168 /nfs/dbraw/zinc/51/01/68/346510168.db2.gz ZIGRPXBUINJAGM-JTQLQIEISA-N 2 2 186.299 0.694 20 0 ACADLP CCOC[C@H]1CCC[N@@H+](CC[NH3+])C1 379377899 346510169 /nfs/dbraw/zinc/51/01/69/346510169.db2.gz ZIGRPXBUINJAGM-JTQLQIEISA-N 2 2 186.299 0.694 20 0 ACADLP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[N@@H+]2C)CO1 401922507 346624367 /nfs/dbraw/zinc/62/43/67/346624367.db2.gz ORSWNQNFEHJPKF-OUAUKWLOSA-N 2 2 198.310 0.848 20 0 ACADLP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[N@H+]2C)CO1 401922507 346624368 /nfs/dbraw/zinc/62/43/68/346624368.db2.gz ORSWNQNFEHJPKF-OUAUKWLOSA-N 2 2 198.310 0.848 20 0 ACADLP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCC[N@@H+]2C)CO1 401922505 346624408 /nfs/dbraw/zinc/62/44/08/346624408.db2.gz ORSWNQNFEHJPKF-GMTAPVOTSA-N 2 2 198.310 0.848 20 0 ACADLP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCC[N@H+]2C)CO1 401922505 346624409 /nfs/dbraw/zinc/62/44/09/346624409.db2.gz ORSWNQNFEHJPKF-GMTAPVOTSA-N 2 2 198.310 0.848 20 0 ACADLP COC[C@@]12CCC[C@@H]1C[N@H+](CC[NH3+])C2 409434911 346698115 /nfs/dbraw/zinc/69/81/15/346698115.db2.gz RGDWVWJUTTVRAE-MNOVXSKESA-N 2 2 198.310 0.694 20 0 ACADLP COC[C@]12CCC[C@H]1C[N@H+](CC[NH3+])C2 409434913 346698450 /nfs/dbraw/zinc/69/84/50/346698450.db2.gz RGDWVWJUTTVRAE-WDEREUQCSA-N 2 2 198.310 0.694 20 0 ACADLP COC[C@]12CCC[C@H]1C[N@@H+](CC[NH3+])C2 409434913 346698451 /nfs/dbraw/zinc/69/84/51/346698451.db2.gz RGDWVWJUTTVRAE-WDEREUQCSA-N 2 2 198.310 0.694 20 0 ACADLP OCC[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 616621754 347127276 /nfs/dbraw/zinc/12/72/76/347127276.db2.gz XRKHXZYBRQJHBS-SNVBAGLBSA-N 2 2 195.266 0.512 20 0 ACADLP [NH3+]CCC[N@H+]1C[C@H]2CCC[C@@]2([NH3+])C1 621784669 347234444 /nfs/dbraw/zinc/23/44/44/347234444.db2.gz SPTDKPYQWHXCMO-NXEZZACHSA-N 3 2 183.299 0.148 20 0 ACADLP C[C@H]([NH3+])CC[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1 622044330 347235547 /nfs/dbraw/zinc/23/55/47/347235547.db2.gz AWZKJKUJOWZQJG-DCAQKATOSA-N 3 2 199.342 0.844 20 0 ACADLP C[C@@H](N[C@@H]1CC[NH2+]C1)c1[nH+]ccn1C 629553367 347349711 /nfs/dbraw/zinc/34/97/11/347349711.db2.gz NNDGKLRGIQDTLH-RKDXNWHRSA-N 2 2 194.282 0.433 20 0 ACADLP Cn1ccc(C[NH2+]C[C@@H]2CCC[NH2+]2)c1 629648329 347353303 /nfs/dbraw/zinc/35/33/03/347353303.db2.gz SKIHGIVWCNMHEI-NSHDSACASA-N 2 2 193.294 0.867 20 0 ACADLP C[N@H+](CC1=CCCOC1)[C@@H]1CC[NH2+]C1 629651888 347353990 /nfs/dbraw/zinc/35/39/90/347353990.db2.gz NJSCYTFFOZTIGH-LLVKDONJSA-N 2 2 196.294 0.627 20 0 ACADLP [NH3+][C@@H]1CCC[N@@H+](CC2=CCCOC2)C1 629652155 347354095 /nfs/dbraw/zinc/35/40/95/347354095.db2.gz XCJANRPHOONPED-LLVKDONJSA-N 2 2 196.294 0.756 20 0 ACADLP [NH3+]CC[N@H+]1CCC[C@@H]2COC[C@@H]21 575485876 352332812 /nfs/dbraw/zinc/33/28/12/352332812.db2.gz RUMULVXVAMWOCT-BDAKNGLRSA-N 2 2 170.256 0.056 20 0 ACADLP COCC[NH2+][C@H]1C[NH2+]CC[C@@H]1C 643455642 352954486 /nfs/dbraw/zinc/95/44/86/352954486.db2.gz RVRIBALXJFPURT-IUCAKERBSA-N 2 2 172.272 0.220 20 0 ACADLP CO[C@H](C)[C@H](C)[NH2+][C@@H]1CCC[NH2+]C1 643497068 352970956 /nfs/dbraw/zinc/97/09/56/352970956.db2.gz TYIQOLAIJKBILC-IVZWLZJFSA-N 2 2 186.299 0.751 20 0 ACADLP CC[C@H]([NH2+]CCC[NH2+]C)[C@@H]1CCC[NH2+]1 643498629 352971936 /nfs/dbraw/zinc/97/19/36/352971936.db2.gz NVKJESVVNXVLOD-QWRGUYRKSA-N 3 2 199.342 0.716 20 0 ACADLP CC[C@@H]([NH2+]CCC[NH2+]C)[C@@H]1CCC[NH2+]1 643498628 352971962 /nfs/dbraw/zinc/97/19/62/352971962.db2.gz NVKJESVVNXVLOD-MNOVXSKESA-N 3 2 199.342 0.716 20 0 ACADLP C[NH2+]CCC[NH2+][C@@H]1CCCCC[C@@H]1[NH3+] 643498645 352973065 /nfs/dbraw/zinc/97/30/65/352973065.db2.gz QFWQPNCAXLCORK-WDEREUQCSA-N 3 2 199.342 0.846 20 0 ACADLP CC[NH2+]CC[NH2+][C@@H]1C[C@H](C)O[C@H]1C 643505513 352978142 /nfs/dbraw/zinc/97/81/42/352978142.db2.gz XOFBLPGRAXOIAT-LPEHRKFASA-N 2 2 186.299 0.751 20 0 ACADLP CC[NH2+]CC[NH2+][C@@H]1CC[NH2+]CC[C@@H]1C 643505643 352978751 /nfs/dbraw/zinc/97/87/51/352978751.db2.gz NGKGWYLFDNSOIC-WDEREUQCSA-N 3 2 199.342 0.574 20 0 ACADLP CCC[NH2+]CC[NH2+][C@H]1CCC[C@@H]1C[NH3+] 643515104 352986856 /nfs/dbraw/zinc/98/68/56/352986856.db2.gz COYAMIVYVOCQCY-MNOVXSKESA-N 3 2 199.342 0.703 20 0 ACADLP CC[C@H]([NH3+])C[NH2+][C@H]1CCCCC[C@@H]1[NH3+] 643540708 353003071 /nfs/dbraw/zinc/00/30/71/353003071.db2.gz BUUZOGLJERKLEJ-DCAQKATOSA-N 3 2 199.342 0.973 20 0 ACADLP CC[C@@H]([NH2+]C[C@@H]1C[NH2+]CCO1)C1CC1 643544347 353003862 /nfs/dbraw/zinc/00/38/62/353003862.db2.gz PCBAYUCLUNXLGZ-WDEREUQCSA-N 2 2 198.310 0.753 20 0 ACADLP CC[C@@H]1CC[C@H]1[NH2+]C[C@H]1C[NH2+]CCO1 643544481 353003868 /nfs/dbraw/zinc/00/38/68/353003868.db2.gz PXHNSCZJOYUWEX-GMTAPVOTSA-N 2 2 198.310 0.753 20 0 ACADLP CC[C@H](CO)[NH2+]Cc1c[nH+]c(C)n1C 657287725 409467403 /nfs/dbraw/zinc/46/74/03/409467403.db2.gz UEHQRMSDUNABPU-SECBINFHSA-N 2 2 197.282 0.589 20 0 ACADLP Cc1c[nH]c(CNCCC[NH+](C)C)[nH+]1 657287093 409467649 /nfs/dbraw/zinc/46/76/49/409467649.db2.gz HIRRQGSPLPSFEA-UHFFFAOYSA-N 2 2 196.298 0.759 20 0 ACADLP C[NH2+]CCC[N@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 380089540 409872141 /nfs/dbraw/zinc/87/21/41/409872141.db2.gz ILLBLUNGYMJVKZ-WDEREUQCSA-N 3 2 199.342 0.655 20 0 ACADLP C1CC([NH+]2CC3(C[NH2+]C3)C2)C1 238052286 325631055 /nfs/dbraw/zinc/63/10/55/325631055.db2.gz OWDARNZFBFYZCT-UHFFFAOYSA-N 2 2 152.241 0.444 20 0 ACADLP O[C@H]1CC[NH2+]C[C@@H]1[NH2+]C1CCCCC1 536953455 325669412 /nfs/dbraw/zinc/66/94/12/325669412.db2.gz HWFYHCOSXCZOBZ-QWRGUYRKSA-N 2 2 198.310 0.632 20 0 ACADLP O[C@H]1CC[NH2+]C[C@@H]1[NH2+]C1CCCC1 536954399 325670496 /nfs/dbraw/zinc/67/04/96/325670496.db2.gz LONAPHPWCZPWCF-UWVGGRQHSA-N 2 2 184.283 0.241 20 0 ACADLP C[C@H]([NH3+])[C@@H](C)n1cc[nH+]c1 11848834 343025413 /nfs/dbraw/zinc/02/54/13/343025413.db2.gz NCHJUTFMHWBNCJ-NKWVEPMBSA-N 2 2 139.202 0.791 20 0 ACADLP C[C@H]([NH3+])[C@H](C)n1cc[nH+]c1 11848836 343025469 /nfs/dbraw/zinc/02/54/69/343025469.db2.gz NCHJUTFMHWBNCJ-BQBZGAKWSA-N 2 2 139.202 0.791 20 0 ACADLP CCC[N@@H+]1CCO[C@H](C[NH3+])C1 11885718 343026007 /nfs/dbraw/zinc/02/60/07/343026007.db2.gz OFMJPVOGASZCNC-MRVPVSSYSA-N 2 2 158.245 0.056 20 0 ACADLP CCC[N@H+]1CCO[C@H](C[NH3+])C1 11885718 343026009 /nfs/dbraw/zinc/02/60/09/343026009.db2.gz OFMJPVOGASZCNC-MRVPVSSYSA-N 2 2 158.245 0.056 20 0 ACADLP CC(C)[N@@H+]1CCO[C@H](C[NH3+])C1 11885725 343026055 /nfs/dbraw/zinc/02/60/55/343026055.db2.gz WLGTWTLKHWPALP-MRVPVSSYSA-N 2 2 158.245 0.054 20 0 ACADLP CC(C)[N@H+]1CCO[C@H](C[NH3+])C1 11885725 343026058 /nfs/dbraw/zinc/02/60/58/343026058.db2.gz WLGTWTLKHWPALP-MRVPVSSYSA-N 2 2 158.245 0.054 20 0 ACADLP CCC[N@@H+]1CCO[C@@H](C[NH3+])C1 11885714 343026136 /nfs/dbraw/zinc/02/61/36/343026136.db2.gz OFMJPVOGASZCNC-QMMMGPOBSA-N 2 2 158.245 0.056 20 0 ACADLP CCC[N@H+]1CCO[C@@H](C[NH3+])C1 11885714 343026138 /nfs/dbraw/zinc/02/61/38/343026138.db2.gz OFMJPVOGASZCNC-QMMMGPOBSA-N 2 2 158.245 0.056 20 0 ACADLP CC(C)[N@@H+]1CCO[C@@H](C[NH3+])C1 11885720 343026281 /nfs/dbraw/zinc/02/62/81/343026281.db2.gz WLGTWTLKHWPALP-QMMMGPOBSA-N 2 2 158.245 0.054 20 0 ACADLP CC(C)[N@H+]1CCO[C@@H](C[NH3+])C1 11885720 343026283 /nfs/dbraw/zinc/02/62/83/343026283.db2.gz WLGTWTLKHWPALP-QMMMGPOBSA-N 2 2 158.245 0.054 20 0 ACADLP C[NH+](C)CC[NH2+]CC1CC1 20037476 343066208 /nfs/dbraw/zinc/06/62/08/343066208.db2.gz IELRNRXLPRWVRJ-UHFFFAOYSA-N 2 2 142.246 0.548 20 0 ACADLP C[NH+](C)CCNCc1[nH]cc[nH+]1 22861454 343082266 /nfs/dbraw/zinc/08/22/66/343082266.db2.gz DUIVOIKSLHTFBX-UHFFFAOYSA-N 2 2 168.244 0.061 20 0 ACADLP C[NH+](C)CCCNCc1[nH]cc[nH+]1 22861515 343082516 /nfs/dbraw/zinc/08/25/16/343082516.db2.gz PUTOJBWUMPRVBG-UHFFFAOYSA-N 2 2 182.271 0.451 20 0 ACADLP Cc1cc(N2CCC[NH2+]CC2)nc[nH+]1 26471353 343088202 /nfs/dbraw/zinc/08/82/02/343088202.db2.gz UCVFOLPQYGPAQO-UHFFFAOYSA-N 2 2 192.266 0.585 20 0 ACADLP CCn1c[nH+]c(CC[NH3+])c1 29412524 343092556 /nfs/dbraw/zinc/09/25/56/343092556.db2.gz LIXGKSRWGHVUHT-UHFFFAOYSA-N 2 2 139.202 0.404 20 0 in-vitro ACADLP [NH3+]CCC1CC[NH+](CC[NH3+])CC1 34330594 343116795 /nfs/dbraw/zinc/11/67/95/343116795.db2.gz GSVWFTWEGUCFQH-UHFFFAOYSA-N 3 2 171.288 0.006 20 0 ACADLP C[C@H]1COCC[N@@H+]1C[C@@H]1CCC[NH2+]C1 35776933 343138835 /nfs/dbraw/zinc/13/88/35/343138835.db2.gz YHYBISSOOXWQSY-WDEREUQCSA-N 2 2 198.310 0.707 20 0 ACADLP C[C@H]1COCC[N@H+]1C[C@@H]1CCC[NH2+]C1 35776933 343138838 /nfs/dbraw/zinc/13/88/38/343138838.db2.gz YHYBISSOOXWQSY-WDEREUQCSA-N 2 2 198.310 0.707 20 0 ACADLP C[N@H+](Cc1ccno1)C1CC[NH2+]CC1 36301479 343143544 /nfs/dbraw/zinc/14/35/44/343143544.db2.gz KTZDKUAJCVXTIV-UHFFFAOYSA-N 2 2 195.266 0.858 20 0 ACADLP C[N@@H+](Cc1ccno1)C1CC[NH2+]CC1 36301479 343143545 /nfs/dbraw/zinc/14/35/45/343143545.db2.gz KTZDKUAJCVXTIV-UHFFFAOYSA-N 2 2 195.266 0.858 20 0 ACADLP C[NH+](C)CCC[NH2+]Cc1cc[nH]n1 36900076 343153399 /nfs/dbraw/zinc/15/33/99/343153399.db2.gz OBVJARPXPKRMCV-UHFFFAOYSA-N 2 2 182.271 0.451 20 0 ACADLP CCC[N@@H+]1CC[C@@H]([NH2+]C)C1 37241707 343163638 /nfs/dbraw/zinc/16/36/38/343163638.db2.gz UHQBKMDJODUIDZ-MRVPVSSYSA-N 2 2 142.246 0.690 20 0 ACADLP CCC[N@H+]1CC[C@@H]([NH2+]C)C1 37241707 343163639 /nfs/dbraw/zinc/16/36/39/343163639.db2.gz UHQBKMDJODUIDZ-MRVPVSSYSA-N 2 2 142.246 0.690 20 0 ACADLP CCC[N@@H+]1CC[C@H]([NH2+]C)C1 37241705 343163655 /nfs/dbraw/zinc/16/36/55/343163655.db2.gz UHQBKMDJODUIDZ-QMMMGPOBSA-N 2 2 142.246 0.690 20 0 ACADLP CCC[N@H+]1CC[C@H]([NH2+]C)C1 37241705 343163656 /nfs/dbraw/zinc/16/36/56/343163656.db2.gz UHQBKMDJODUIDZ-QMMMGPOBSA-N 2 2 142.246 0.690 20 0 ACADLP C[NH2+]CC[N@H+](C)CC1CC1 37925734 343182179 /nfs/dbraw/zinc/18/21/79/343182179.db2.gz WHOSXCNUFPRWQP-UHFFFAOYSA-N 2 2 142.246 0.548 20 0 ACADLP C[NH2+]CC[N@@H+](C)CC1CC1 37925734 343182182 /nfs/dbraw/zinc/18/21/82/343182182.db2.gz WHOSXCNUFPRWQP-UHFFFAOYSA-N 2 2 142.246 0.548 20 0 ACADLP Cc1cn(CC[NH3+])c[nH+]1 39073849 343196275 /nfs/dbraw/zinc/19/62/75/343196275.db2.gz NYYJJFZSMLAAQM-UHFFFAOYSA-N 2 2 125.175 0.150 20 0 ACADLP C[NH+](C)C[C@]1(F)CC[NH2+]C1 39088269 343197466 /nfs/dbraw/zinc/19/74/66/343197466.db2.gz IQAKILOESIMZCF-ZETCQYMHSA-N 2 2 146.209 0.250 20 0 ACADLP C[NH+](C)C[C@@]1(F)CC[NH2+]C1 39088270 343197743 /nfs/dbraw/zinc/19/77/43/343197743.db2.gz IQAKILOESIMZCF-SSDOTTSWSA-N 2 2 146.209 0.250 20 0 ACADLP Cc1[nH]n2cc[nH+]c2c1C[NH3+] 39136963 343204489 /nfs/dbraw/zinc/20/44/89/343204489.db2.gz OFNHFYOSAJZWNG-UHFFFAOYSA-N 2 2 150.185 0.430 20 0 ACADLP C[C@H]1C[N@H+](CC(C)(C)[NH3+])C[C@@H](C)O1 39320540 343210356 /nfs/dbraw/zinc/21/03/56/343210356.db2.gz QLQKFZXSWNYJJQ-DTORHVGOSA-N 2 2 186.299 0.833 20 0 ACADLP C[C@H]1C[N@@H+](CC(C)(C)[NH3+])C[C@@H](C)O1 39320540 343210358 /nfs/dbraw/zinc/21/03/58/343210358.db2.gz QLQKFZXSWNYJJQ-DTORHVGOSA-N 2 2 186.299 0.833 20 0 ACADLP Cc1cc(NCCC[NH3+])nc[nH+]1 40542552 343220281 /nfs/dbraw/zinc/22/02/81/343220281.db2.gz NABDKFQSVKDQQQ-UHFFFAOYSA-N 2 2 166.228 0.546 20 0 ACADLP Cc1cc(NCC[NH3+])nc[nH+]1 40542549 343220327 /nfs/dbraw/zinc/22/03/27/343220327.db2.gz WMNZXALULUCSIU-UHFFFAOYSA-N 2 2 152.201 0.156 20 0 ACADLP Cc1cc(NCC[NH+](C)C)nc[nH+]1 40726988 343222171 /nfs/dbraw/zinc/22/21/71/343222171.db2.gz RELLWNXABACSEU-UHFFFAOYSA-N 2 2 180.255 0.759 20 0 ACADLP CCc1cc(NCC[NH3+])nc[nH+]1 40764970 343223087 /nfs/dbraw/zinc/22/30/87/343223087.db2.gz FGBYOOLJHGTTMM-UHFFFAOYSA-N 2 2 166.228 0.410 20 0 ACADLP CC(C)[NH2+]CCn1cc[nH+]c1 41042011 343226251 /nfs/dbraw/zinc/22/62/51/343226251.db2.gz NLNTWQWYEWQHHI-UHFFFAOYSA-N 2 2 153.229 0.881 20 0 ACADLP CCCC[N@@H+](CC[NH3+])CCO 42492025 343244305 /nfs/dbraw/zinc/24/43/05/343244305.db2.gz FQZKTDCHMFDTDC-UHFFFAOYSA-N 2 2 160.261 0.040 20 0 ACADLP C[C@H](C[NH3+])[N@@H+](C)C[C@@H]1CCCCO1 42463752 343243873 /nfs/dbraw/zinc/24/38/73/343243873.db2.gz ISRMLIONAHLNIJ-ZJUUUORDSA-N 2 2 186.299 0.835 20 0 ACADLP CCCC[N@H+](CC[NH3+])CCO 42492025 343244304 /nfs/dbraw/zinc/24/43/04/343244304.db2.gz FQZKTDCHMFDTDC-UHFFFAOYSA-N 2 2 160.261 0.040 20 0 ACADLP C[N@@H+]1CC[C@H]([NH2+]CC2CC2)C1 42545563 343246074 /nfs/dbraw/zinc/24/60/74/343246074.db2.gz SRINUJTZBNYZOQ-VIFPVBQESA-N 2 2 154.257 0.690 20 0 ACADLP C[N@H+]1CC[C@H]([NH2+]CC2CC2)C1 42545563 343246075 /nfs/dbraw/zinc/24/60/75/343246075.db2.gz SRINUJTZBNYZOQ-VIFPVBQESA-N 2 2 154.257 0.690 20 0 ACADLP C[N@@H+]1CC[C@@H]([NH2+]CC2CC2)C1 42545565 343246097 /nfs/dbraw/zinc/24/60/97/343246097.db2.gz SRINUJTZBNYZOQ-SECBINFHSA-N 2 2 154.257 0.690 20 0 ACADLP C[N@H+]1CC[C@@H]([NH2+]CC2CC2)C1 42545565 343246099 /nfs/dbraw/zinc/24/60/99/343246099.db2.gz SRINUJTZBNYZOQ-SECBINFHSA-N 2 2 154.257 0.690 20 0 ACADLP C[N@@H+]1CC[C@@H]([NH2+]C2CCOCC2)C1 42545485 343246531 /nfs/dbraw/zinc/24/65/31/343246531.db2.gz HOPHZIOKGSGCAC-SNVBAGLBSA-N 2 2 184.283 0.459 20 0 ACADLP C[N@H+]1CC[C@@H]([NH2+]C2CCOCC2)C1 42545485 343246533 /nfs/dbraw/zinc/24/65/33/343246533.db2.gz HOPHZIOKGSGCAC-SNVBAGLBSA-N 2 2 184.283 0.459 20 0 ACADLP C[NH2+]CCC[N@@H+]1CCO[C@@H]2CCC[C@@H]21 43427128 343252123 /nfs/dbraw/zinc/25/21/23/343252123.db2.gz NLPLOOOJKXDTQY-WDEREUQCSA-N 2 2 198.310 0.849 20 0 ACADLP C[NH2+]CCC[N@H+]1CCO[C@@H]2CCC[C@@H]21 43427128 343252125 /nfs/dbraw/zinc/25/21/25/343252125.db2.gz NLPLOOOJKXDTQY-WDEREUQCSA-N 2 2 198.310 0.849 20 0 ACADLP C[N@H+](CC1CC1)C[C@H]1C[NH2+]CCO1 43802383 343259145 /nfs/dbraw/zinc/25/91/45/343259145.db2.gz YCMRZNXXWZTYMS-SNVBAGLBSA-N 2 2 184.283 0.317 20 0 ACADLP C[N@@H+](CC1CC1)C[C@H]1C[NH2+]CCO1 43802383 343259148 /nfs/dbraw/zinc/25/91/48/343259148.db2.gz YCMRZNXXWZTYMS-SNVBAGLBSA-N 2 2 184.283 0.317 20 0 ACADLP C[N@H+](CC1CC1)C[C@@H]1C[NH2+]CCO1 43802380 343259295 /nfs/dbraw/zinc/25/92/95/343259295.db2.gz YCMRZNXXWZTYMS-JTQLQIEISA-N 2 2 184.283 0.317 20 0 ACADLP C[N@@H+](CC1CC1)C[C@@H]1C[NH2+]CCO1 43802380 343259298 /nfs/dbraw/zinc/25/92/98/343259298.db2.gz YCMRZNXXWZTYMS-JTQLQIEISA-N 2 2 184.283 0.317 20 0 ACADLP C[N@@H+]1CC[C@H]([NH2+]C2CCC2)C1 44481919 343266570 /nfs/dbraw/zinc/26/65/70/343266570.db2.gz OZIFWLFNNIMRPB-VIFPVBQESA-N 2 2 154.257 0.833 20 0 ACADLP C[N@H+]1CC[C@H]([NH2+]C2CCC2)C1 44481919 343266573 /nfs/dbraw/zinc/26/65/73/343266573.db2.gz OZIFWLFNNIMRPB-VIFPVBQESA-N 2 2 154.257 0.833 20 0 ACADLP C[N@@H+]1CC[C@@H]([NH2+]C2CCC2)C1 44481920 343266744 /nfs/dbraw/zinc/26/67/44/343266744.db2.gz OZIFWLFNNIMRPB-SECBINFHSA-N 2 2 154.257 0.833 20 0 ACADLP C[N@H+]1CC[C@@H]([NH2+]C2CCC2)C1 44481920 343266746 /nfs/dbraw/zinc/26/67/46/343266746.db2.gz OZIFWLFNNIMRPB-SECBINFHSA-N 2 2 154.257 0.833 20 0 ACADLP C[C@H]1C[N@@H+](C[C@@H](C)[NH3+])CC(C)(C)O1 45684865 343272087 /nfs/dbraw/zinc/27/20/87/343272087.db2.gz SJBWHKYSUJUFLA-BDAKNGLRSA-N 2 2 186.299 0.833 20 0 ACADLP C[C@H]1C[N@H+](C[C@@H](C)[NH3+])CC(C)(C)O1 45684865 343272090 /nfs/dbraw/zinc/27/20/90/343272090.db2.gz SJBWHKYSUJUFLA-BDAKNGLRSA-N 2 2 186.299 0.833 20 0 ACADLP C[C@H](CC[NH+](C)C)[NH2+]Cc1cc[nH]n1 49553965 343275663 /nfs/dbraw/zinc/27/56/63/343275663.db2.gz GZWBARWOZLTWRH-SECBINFHSA-N 2 2 196.298 0.840 20 0 ACADLP C[C@H](CC[NH+](C)C)NCc1[nH]cc[nH+]1 49715734 343276483 /nfs/dbraw/zinc/27/64/83/343276483.db2.gz FGEYOIKWSMKTMX-SECBINFHSA-N 2 2 196.298 0.840 20 0 ACADLP C[C@H](CC[NH+](C)C)[NH2+]Cc1ncc[nH]1 49715734 343276485 /nfs/dbraw/zinc/27/64/85/343276485.db2.gz FGEYOIKWSMKTMX-SECBINFHSA-N 2 2 196.298 0.840 20 0 ACADLP Cn1cccc1C[NH2+][C@H]1CC[N@H+](C)C1 50596190 343285244 /nfs/dbraw/zinc/28/52/44/343285244.db2.gz MDTPEVNDQVUWDB-JTQLQIEISA-N 2 2 193.294 0.819 20 0 ACADLP Cn1cccc1C[NH2+][C@H]1CC[N@@H+](C)C1 50596190 343285246 /nfs/dbraw/zinc/28/52/46/343285246.db2.gz MDTPEVNDQVUWDB-JTQLQIEISA-N 2 2 193.294 0.819 20 0 ACADLP Cn1cccc1C[NH2+][C@@H]1CC[N@H+](C)C1 50596188 343285350 /nfs/dbraw/zinc/28/53/50/343285350.db2.gz MDTPEVNDQVUWDB-SNVBAGLBSA-N 2 2 193.294 0.819 20 0 ACADLP Cn1cccc1C[NH2+][C@@H]1CC[N@@H+](C)C1 50596188 343285352 /nfs/dbraw/zinc/28/53/52/343285352.db2.gz MDTPEVNDQVUWDB-SNVBAGLBSA-N 2 2 193.294 0.819 20 0 ACADLP C[N@H+](C[C@@H]1CCCCO1)[C@@H]1CC[NH2+]C1 51783200 343293276 /nfs/dbraw/zinc/29/32/76/343293276.db2.gz RWVLHPCUHKCASW-MNOVXSKESA-N 2 2 198.310 0.849 20 0 ACADLP C[N@@H+](C[C@@H]1CCCCO1)[C@@H]1CC[NH2+]C1 51783200 343293278 /nfs/dbraw/zinc/29/32/78/343293278.db2.gz RWVLHPCUHKCASW-MNOVXSKESA-N 2 2 198.310 0.849 20 0 ACADLP C[C@H]1C[N@H+](C[C@@H]2CC[NH2+]C2)CCO1 51889380 343295511 /nfs/dbraw/zinc/29/55/11/343295511.db2.gz SVSSXNBQYGLCGZ-VHSXEESVSA-N 2 2 184.283 0.317 20 0 ACADLP C[C@H]1C[N@@H+](C[C@@H]2CC[NH2+]C2)CCO1 51889380 343295513 /nfs/dbraw/zinc/29/55/13/343295513.db2.gz SVSSXNBQYGLCGZ-VHSXEESVSA-N 2 2 184.283 0.317 20 0 ACADLP CC(C)[N@H+](C)CCNCc1[nH]cc[nH+]1 54111496 343317751 /nfs/dbraw/zinc/31/77/51/343317751.db2.gz OBYHOSOKOILXLY-UHFFFAOYSA-N 2 2 196.298 0.840 20 0 ACADLP CC(C)[N@@H+](C)CCNCc1[nH]cc[nH+]1 54111496 343317754 /nfs/dbraw/zinc/31/77/54/343317754.db2.gz OBYHOSOKOILXLY-UHFFFAOYSA-N 2 2 196.298 0.840 20 0 ACADLP CCn1cc[nH+]c1CN1CC[C@H]([NH3+])C1 54743840 343328630 /nfs/dbraw/zinc/32/86/30/343328630.db2.gz ZFWBSIQCMCYWOS-VIFPVBQESA-N 2 2 194.282 0.436 20 0 ACADLP CC(C)[NH2+]Cc1c[nH+]c[nH]1 54762864 343328664 /nfs/dbraw/zinc/32/86/64/343328664.db2.gz BZKUGNXGGCLTST-UHFFFAOYSA-N 2 2 139.202 0.908 20 0 ACADLP CCn1cc[nH+]c1CN1CC[C@@H]([NH3+])C1 54743841 343328795 /nfs/dbraw/zinc/32/87/95/343328795.db2.gz ZFWBSIQCMCYWOS-SECBINFHSA-N 2 2 194.282 0.436 20 0 ACADLP Cc1nc(NCC[NH3+])cc[nH+]1 54935528 343331834 /nfs/dbraw/zinc/33/18/34/343331834.db2.gz KPRSLNITKNTBMZ-UHFFFAOYSA-N 2 2 152.201 0.156 20 0 ACADLP Cc1nc(N2CCC[NH2+]CC2)cc[nH+]1 54935121 343331881 /nfs/dbraw/zinc/33/18/81/343331881.db2.gz QNSJUCZOQWSBMT-UHFFFAOYSA-N 2 2 192.266 0.585 20 0 ACADLP Cc1nc(NCC[NH+](C)C)cc[nH+]1 54935634 343331946 /nfs/dbraw/zinc/33/19/46/343331946.db2.gz ROQPTFXYAIVQGY-UHFFFAOYSA-N 2 2 180.255 0.759 20 0 ACADLP Cc1nc(N[C@H]2CC[NH2+]C2)cc[nH+]1 54936877 343332052 /nfs/dbraw/zinc/33/20/52/343332052.db2.gz KGJLNUFKLUAPTH-QMMMGPOBSA-N 2 2 178.239 0.559 20 0 ACADLP Cc1nc(N2CC[C@H]([NH3+])C2)cc[nH+]1 54936856 343332162 /nfs/dbraw/zinc/33/21/62/343332162.db2.gz PRQVZCAAPHYAKR-QMMMGPOBSA-N 2 2 178.239 0.322 20 0 ACADLP Cc1nc(N2CC[C@@H]([NH3+])C2)cc[nH+]1 54936858 343332309 /nfs/dbraw/zinc/33/23/09/343332309.db2.gz PRQVZCAAPHYAKR-MRVPVSSYSA-N 2 2 178.239 0.322 20 0 ACADLP Cc1nc(N[C@@H]2CC[NH2+]C2)cc[nH+]1 54936873 343332410 /nfs/dbraw/zinc/33/24/10/343332410.db2.gz KGJLNUFKLUAPTH-MRVPVSSYSA-N 2 2 178.239 0.559 20 0 ACADLP Cc1[nH+]ccn1CC[N@@H+]1CC[C@H](O)C1 61708170 343361617 /nfs/dbraw/zinc/36/16/17/343361617.db2.gz RIFUGEKIPXUFTO-JTQLQIEISA-N 2 2 195.266 0.258 20 0 ACADLP Cc1[nH+]ccn1CC[N@H+]1CC[C@H](O)C1 61708170 343361621 /nfs/dbraw/zinc/36/16/21/343361621.db2.gz RIFUGEKIPXUFTO-JTQLQIEISA-N 2 2 195.266 0.258 20 0 ACADLP C[C@H]1C[N@H+](CC[NH3+])CCCO1 61913116 343366939 /nfs/dbraw/zinc/36/69/39/343366939.db2.gz UKQUTYABDRZQOY-QMMMGPOBSA-N 2 2 158.245 0.056 20 0 ACADLP C[C@H]1C[N@@H+](CC[NH3+])CCCO1 61913116 343366941 /nfs/dbraw/zinc/36/69/41/343366941.db2.gz UKQUTYABDRZQOY-QMMMGPOBSA-N 2 2 158.245 0.056 20 0 ACADLP C[C@H]([NH3+])C[N@@H+]1CCCOCC1 61917494 343367042 /nfs/dbraw/zinc/36/70/42/343367042.db2.gz HIMOZYOMAUSHMO-QMMMGPOBSA-N 2 2 158.245 0.056 20 0 ACADLP C[C@H]([NH3+])C[N@H+]1CCCOCC1 61917494 343367045 /nfs/dbraw/zinc/36/70/45/343367045.db2.gz HIMOZYOMAUSHMO-QMMMGPOBSA-N 2 2 158.245 0.056 20 0 ACADLP C[C@H]1C[N@H+](C[C@@H](C)[NH3+])CCCO1 61916926 343367114 /nfs/dbraw/zinc/36/71/14/343367114.db2.gz SARLNSLKDPMNGR-BDAKNGLRSA-N 2 2 172.272 0.444 20 0 ACADLP C[C@H]1C[N@@H+](C[C@@H](C)[NH3+])CCCO1 61916926 343367115 /nfs/dbraw/zinc/36/71/15/343367115.db2.gz SARLNSLKDPMNGR-BDAKNGLRSA-N 2 2 172.272 0.444 20 0 ACADLP C[C@@]1(C[NH+]2CCOCC2)CCC[NH2+]C1 62861603 343383495 /nfs/dbraw/zinc/38/34/95/343383495.db2.gz AMNLKBRAIUSYBS-LLVKDONJSA-N 2 2 198.310 0.708 20 0 ACADLP C[C@]1(C[NH+]2CCOCC2)CCC[NH2+]C1 62861602 343383521 /nfs/dbraw/zinc/38/35/21/343383521.db2.gz AMNLKBRAIUSYBS-NSHDSACASA-N 2 2 198.310 0.708 20 0 ACADLP OCC[N@H+]1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 63190247 343405307 /nfs/dbraw/zinc/40/53/07/343405307.db2.gz CYSDCXKLVPHFDN-WDEREUQCSA-N 2 2 198.310 0.585 20 0 ACADLP OCC[N@@H+]1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 63190247 343405305 /nfs/dbraw/zinc/40/53/05/343405305.db2.gz CYSDCXKLVPHFDN-WDEREUQCSA-N 2 2 198.310 0.585 20 0 ACADLP OCC[N@@H+]1CCCC[C@H]1[C@@H]1CCC[NH2+]1 63190246 343405679 /nfs/dbraw/zinc/40/56/79/343405679.db2.gz CYSDCXKLVPHFDN-QWRGUYRKSA-N 2 2 198.310 0.585 20 0 ACADLP OCC[N@H+]1CCCC[C@H]1[C@@H]1CCC[NH2+]1 63190246 343405681 /nfs/dbraw/zinc/40/56/81/343405681.db2.gz CYSDCXKLVPHFDN-QWRGUYRKSA-N 2 2 198.310 0.585 20 0 ACADLP C[NH2+][C@@H]1CCC[N@@H+]([C@@H]2CCOC2)C1 69606388 343426308 /nfs/dbraw/zinc/42/63/08/343426308.db2.gz KUZQURDDLJDXMI-NXEZZACHSA-N 2 2 184.283 0.459 20 0 ACADLP C[NH2+][C@@H]1CCC[N@H+]([C@@H]2CCOC2)C1 69606388 343426310 /nfs/dbraw/zinc/42/63/10/343426310.db2.gz KUZQURDDLJDXMI-NXEZZACHSA-N 2 2 184.283 0.459 20 0 ACADLP [NH3+][C@@H]1CCC[N@@H+]([C@@H]2CCOC2)C1 69606372 343426316 /nfs/dbraw/zinc/42/63/16/343426316.db2.gz CWVITUDPTUTLBV-RKDXNWHRSA-N 2 2 170.256 0.198 20 0 ACADLP [NH3+][C@@H]1CCC[N@H+]([C@@H]2CCOC2)C1 69606372 343426318 /nfs/dbraw/zinc/42/63/18/343426318.db2.gz CWVITUDPTUTLBV-RKDXNWHRSA-N 2 2 170.256 0.198 20 0 ACADLP [NH3+][C@H]1CCC[N@@H+]([C@@H]2CCOC2)C1 69606371 343426364 /nfs/dbraw/zinc/42/63/64/343426364.db2.gz CWVITUDPTUTLBV-DTWKUNHWSA-N 2 2 170.256 0.198 20 0 ACADLP [NH3+][C@H]1CCC[N@H+]([C@@H]2CCOC2)C1 69606371 343426366 /nfs/dbraw/zinc/42/63/66/343426366.db2.gz CWVITUDPTUTLBV-DTWKUNHWSA-N 2 2 170.256 0.198 20 0 ACADLP C[NH2+][C@H]1CCC[N@@H+]([C@@H]2CCOC2)C1 69606389 343426456 /nfs/dbraw/zinc/42/64/56/343426456.db2.gz KUZQURDDLJDXMI-VHSXEESVSA-N 2 2 184.283 0.459 20 0 ACADLP C[NH2+][C@H]1CCC[N@H+]([C@@H]2CCOC2)C1 69606389 343426460 /nfs/dbraw/zinc/42/64/60/343426460.db2.gz KUZQURDDLJDXMI-VHSXEESVSA-N 2 2 184.283 0.459 20 0 ACADLP C[C@H]1C[NH2+]CC[C@H]1[NH+]1CCN(C)CC1 70045480 343468928 /nfs/dbraw/zinc/46/89/28/343468928.db2.gz KVKJXZHVOYPJIT-WDEREUQCSA-N 2 2 197.326 0.232 20 0 ACADLP C[C@H]1C[NH2+]CC[C@@H]1[NH+]1CCN(C)CC1 70045477 343469293 /nfs/dbraw/zinc/46/92/93/343469293.db2.gz KVKJXZHVOYPJIT-QWRGUYRKSA-N 2 2 197.326 0.232 20 0 ACADLP Cn1cc[nH+]c1Cn1cc[nH+]c1 70162858 343476801 /nfs/dbraw/zinc/47/68/01/343476801.db2.gz GUENORHFJQXNSD-UHFFFAOYSA-N 2 2 162.196 0.665 20 0 ACADLP Cc1[nH+]ccn1Cc1[nH+]ccn1C 70162860 343476812 /nfs/dbraw/zinc/47/68/12/343476812.db2.gz VJJIEDLOOVVIFT-UHFFFAOYSA-N 2 2 176.223 0.973 20 0 ACADLP C[NH+](C)Cc1nc([C@H]2CCC[NH2+]2)no1 70947280 343542263 /nfs/dbraw/zinc/54/22/63/343542263.db2.gz AVFNPBOZBPPOFF-SSDOTTSWSA-N 2 2 196.254 0.556 20 0 ACADLP C[NH+](C)Cc1nc([C@@H]2CCC[NH2+]2)no1 70947278 343542649 /nfs/dbraw/zinc/54/26/49/343542649.db2.gz AVFNPBOZBPPOFF-ZETCQYMHSA-N 2 2 196.254 0.556 20 0 ACADLP Cc1nc(N[C@@H]2CCC[NH2+]C2)cc[nH+]1 70950456 343543455 /nfs/dbraw/zinc/54/34/55/343543455.db2.gz YJQYONGHFRCUGJ-SECBINFHSA-N 2 2 192.266 0.949 20 0 ACADLP Cc1nc(N[C@H]2CCC[NH2+]C2)cc[nH+]1 70950460 343543505 /nfs/dbraw/zinc/54/35/05/343543505.db2.gz YJQYONGHFRCUGJ-VIFPVBQESA-N 2 2 192.266 0.949 20 0 ACADLP COC(=O)C[N@H+](CCC[NH3+])C(C)C 71048456 343549346 /nfs/dbraw/zinc/54/93/46/343549346.db2.gz QTYXLPKNJODBGM-UHFFFAOYSA-N 2 2 188.271 0.219 20 0 ACADLP COC(=O)C[N@@H+](CCC[NH3+])C(C)C 71048456 343549348 /nfs/dbraw/zinc/54/93/48/343549348.db2.gz QTYXLPKNJODBGM-UHFFFAOYSA-N 2 2 188.271 0.219 20 0 ACADLP CCOC(=O)C[N@H+](CC)CCC[NH3+] 71048247 343549492 /nfs/dbraw/zinc/54/94/92/343549492.db2.gz WSFAYTDLNMFGSN-UHFFFAOYSA-N 2 2 188.271 0.220 20 0 ACADLP CCOC(=O)C[N@@H+](CC)CCC[NH3+] 71048247 343549494 /nfs/dbraw/zinc/54/94/94/343549494.db2.gz WSFAYTDLNMFGSN-UHFFFAOYSA-N 2 2 188.271 0.220 20 0 ACADLP CCOC(=O)CC[N@H+](C)[C@@H](C)C[NH3+] 71048813 343549798 /nfs/dbraw/zinc/54/97/98/343549798.db2.gz RHHGZEMBBRTUAG-QMMMGPOBSA-N 2 2 188.271 0.219 20 0 ACADLP CCOC(=O)CC[N@@H+](C)[C@@H](C)C[NH3+] 71048813 343549802 /nfs/dbraw/zinc/54/98/02/343549802.db2.gz RHHGZEMBBRTUAG-QMMMGPOBSA-N 2 2 188.271 0.219 20 0 ACADLP CCOC(=O)CC[N@H+](C)[C@H](C)C[NH3+] 71048815 343549865 /nfs/dbraw/zinc/54/98/65/343549865.db2.gz RHHGZEMBBRTUAG-MRVPVSSYSA-N 2 2 188.271 0.219 20 0 ACADLP CCOC(=O)CC[N@@H+](C)[C@H](C)C[NH3+] 71048815 343549868 /nfs/dbraw/zinc/54/98/68/343549868.db2.gz RHHGZEMBBRTUAG-MRVPVSSYSA-N 2 2 188.271 0.219 20 0 ACADLP CCC[N@H+](CCC[NH3+])CC(=O)OC 71048616 343550043 /nfs/dbraw/zinc/55/00/43/343550043.db2.gz MIPVCAUCYFMLPD-UHFFFAOYSA-N 2 2 188.271 0.220 20 0 ACADLP CCC[N@@H+](CCC[NH3+])CC(=O)OC 71048616 343550045 /nfs/dbraw/zinc/55/00/45/343550045.db2.gz MIPVCAUCYFMLPD-UHFFFAOYSA-N 2 2 188.271 0.220 20 0 ACADLP C[NH+](C)C[C@@H]1CSCCC[NH2+]1 77101492 343580505 /nfs/dbraw/zinc/58/05/05/343580505.db2.gz FMZQXZJFUPGUCE-MRVPVSSYSA-N 2 2 174.313 0.643 20 0 ACADLP C[NH+](C)C[C@H]1CSCCC[NH2+]1 77101493 343580837 /nfs/dbraw/zinc/58/08/37/343580837.db2.gz FMZQXZJFUPGUCE-QMMMGPOBSA-N 2 2 174.313 0.643 20 0 ACADLP Cn1cncc1C[NH2+]CCC[NH+](C)C 82393827 343600291 /nfs/dbraw/zinc/60/02/91/343600291.db2.gz KPEWIOMNOBSOFM-UHFFFAOYSA-N 2 2 196.298 0.461 20 0 ACADLP C[C@H](CNCc1c[nH+]cn1C)[NH+](C)C 82432850 343604310 /nfs/dbraw/zinc/60/43/10/343604310.db2.gz MNYAKECTCCUNNL-SECBINFHSA-N 2 2 196.298 0.460 20 0 ACADLP C[C@@H](CNCc1c[nH+]cn1C)[NH+](C)C 82432849 343604361 /nfs/dbraw/zinc/60/43/61/343604361.db2.gz MNYAKECTCCUNNL-VIFPVBQESA-N 2 2 196.298 0.460 20 0 ACADLP C[C@H]1C[NH2+]CCN1Cc1c[nH+]cn1C 85191640 343641149 /nfs/dbraw/zinc/64/11/49/343641149.db2.gz UDLNFZKWWULGEU-VIFPVBQESA-N 2 2 194.282 0.214 20 0 ACADLP C[C@@H]1CN(Cc2c[nH+]cn2C)CC[NH2+]1 85170922 343641183 /nfs/dbraw/zinc/64/11/83/343641183.db2.gz SXXUWLFMSBFZCG-SECBINFHSA-N 2 2 194.282 0.214 20 0 ACADLP Cc1[nH+]ccn1Cc1c[nH+]cn1C 85191998 343641261 /nfs/dbraw/zinc/64/12/61/343641261.db2.gz NBRXKDXDTGLXPQ-UHFFFAOYSA-N 2 2 176.223 0.973 20 0 ACADLP Cn1c[nH+]cc1CN1CCC[NH2+]CC1 85170745 343641355 /nfs/dbraw/zinc/64/13/55/343641355.db2.gz TYFGKONMKBVWCO-UHFFFAOYSA-N 2 2 194.282 0.215 20 0 ACADLP C[C@H]1CN(Cc2c[nH+]cn2C)CC[NH2+]1 85170924 343641468 /nfs/dbraw/zinc/64/14/68/343641468.db2.gz SXXUWLFMSBFZCG-VIFPVBQESA-N 2 2 194.282 0.214 20 0 ACADLP Cc1nc(NC2C[NH2+]C2)cc[nH+]1 85256663 343641717 /nfs/dbraw/zinc/64/17/17/343641717.db2.gz CUGHQVDAMXFMTE-UHFFFAOYSA-N 2 2 164.212 0.169 20 0 ACADLP C1CC[C@H](C[NH2+][C@@H]2CC[NH2+]C2)OC1 86729433 343653816 /nfs/dbraw/zinc/65/38/16/343653816.db2.gz RBNUBEKWFRZVNN-NXEZZACHSA-N 2 2 184.283 0.507 20 0 ACADLP C1CC[C@H](C[NH2+][C@H]2CC[NH2+]C2)OC1 86729437 343653904 /nfs/dbraw/zinc/65/39/04/343653904.db2.gz RBNUBEKWFRZVNN-VHSXEESVSA-N 2 2 184.283 0.507 20 0 ACADLP C1CC[C@@H](C[NH2+][C@@H]2CC[NH2+]C2)OC1 86729431 343653966 /nfs/dbraw/zinc/65/39/66/343653966.db2.gz RBNUBEKWFRZVNN-ZJUUUORDSA-N 2 2 184.283 0.507 20 0 ACADLP Cc1ccc(NC(=O)[C@H](C)[NH3+])c(C)[nH+]1 87152315 343657726 /nfs/dbraw/zinc/65/77/26/343657726.db2.gz JEAYFAVIQVIGKO-ZETCQYMHSA-N 2 2 193.250 0.984 20 0 ACADLP Cc1ccc(NC(=O)CC[NH3+])c(C)[nH+]1 87151931 343657837 /nfs/dbraw/zinc/65/78/37/343657837.db2.gz NAONSPOUBBWAGL-UHFFFAOYSA-N 2 2 193.250 0.986 20 0 ACADLP Cc1ccc(NC(=O)[C@@H](C)[NH3+])c(C)[nH+]1 87152335 343658220 /nfs/dbraw/zinc/65/82/20/343658220.db2.gz JEAYFAVIQVIGKO-SSDOTTSWSA-N 2 2 193.250 0.984 20 0 ACADLP C[C@@]1(C[NH2+][C@@H]2CCC[NH2+]C2)CCCO1 87234457 343658715 /nfs/dbraw/zinc/65/87/15/343658715.db2.gz XBMNTUCTCVGRMO-MNOVXSKESA-N 2 2 198.310 0.897 20 0 ACADLP C[C@@]1(C[NH2+][C@H]2CC[NH2+]C2)CCCO1 87234490 343658788 /nfs/dbraw/zinc/65/87/88/343658788.db2.gz QMVYHVFCPHRKFA-UWVGGRQHSA-N 2 2 184.283 0.507 20 0 ACADLP C[C@]1(C[NH2+][C@H]2CC[NH2+]C2)CCCO1 87234488 343658997 /nfs/dbraw/zinc/65/89/97/343658997.db2.gz QMVYHVFCPHRKFA-VHSXEESVSA-N 2 2 184.283 0.507 20 0 ACADLP C[C@]1(C[NH2+][C@@H]2CCC[NH2+]C2)CCCO1 87234455 343659086 /nfs/dbraw/zinc/65/90/86/343659086.db2.gz XBMNTUCTCVGRMO-GHMZBOCLSA-N 2 2 198.310 0.897 20 0 ACADLP C[C@]1(C[NH2+][C@@H]2CC[NH2+]C2)CCCO1 87234485 343659090 /nfs/dbraw/zinc/65/90/90/343659090.db2.gz QMVYHVFCPHRKFA-NXEZZACHSA-N 2 2 184.283 0.507 20 0 ACADLP C[NH+]1CCC([NH2+]CCF)CC1 87774734 343664089 /nfs/dbraw/zinc/66/40/89/343664089.db2.gz DIKVHJWRXLCYCN-UHFFFAOYSA-N 2 2 160.236 0.640 20 0 ACADLP [NH3+][C@H]1CC[N@H+](CCCF)C1 88026330 343666647 /nfs/dbraw/zinc/66/66/47/343666647.db2.gz XKHSXPNTQRAWJC-ZETCQYMHSA-N 2 2 146.209 0.379 20 0 ACADLP [NH3+][C@H]1CCC[N@H+](CCCF)C1 88026327 343666517 /nfs/dbraw/zinc/66/65/17/343666517.db2.gz PAFFLHVJEXBYML-QMMMGPOBSA-N 2 2 160.236 0.769 20 0 ACADLP [NH3+][C@H]1CCC[N@@H+](CCCF)C1 88026327 343666520 /nfs/dbraw/zinc/66/65/20/343666520.db2.gz PAFFLHVJEXBYML-QMMMGPOBSA-N 2 2 160.236 0.769 20 0 ACADLP [NH3+][C@H]1CC[N@@H+](CCCF)C1 88026330 343666649 /nfs/dbraw/zinc/66/66/49/343666649.db2.gz XKHSXPNTQRAWJC-ZETCQYMHSA-N 2 2 146.209 0.379 20 0 ACADLP [NH3+][C@@H]1CCC[N@H+](CCCF)C1 88026328 343666657 /nfs/dbraw/zinc/66/66/57/343666657.db2.gz PAFFLHVJEXBYML-MRVPVSSYSA-N 2 2 160.236 0.769 20 0 ACADLP [NH3+][C@@H]1CCC[N@@H+](CCCF)C1 88026328 343666659 /nfs/dbraw/zinc/66/66/59/343666659.db2.gz PAFFLHVJEXBYML-MRVPVSSYSA-N 2 2 160.236 0.769 20 0 ACADLP [NH3+][C@@H]1CC[N@H+](CCCF)C1 88026329 343666796 /nfs/dbraw/zinc/66/67/96/343666796.db2.gz XKHSXPNTQRAWJC-SSDOTTSWSA-N 2 2 146.209 0.379 20 0 ACADLP [NH3+][C@@H]1CC[N@@H+](CCCF)C1 88026329 343666798 /nfs/dbraw/zinc/66/67/98/343666798.db2.gz XKHSXPNTQRAWJC-SSDOTTSWSA-N 2 2 146.209 0.379 20 0 ACADLP C[C@H]1C[N@@H+](Cc2ccon2)CC[C@@H]1[NH3+] 88054158 343667564 /nfs/dbraw/zinc/66/75/64/343667564.db2.gz IAXAMGLMYHZGRN-WPRPVWTQSA-N 2 2 195.266 0.844 20 0 ACADLP C[C@H]1C[N@H+](Cc2ccon2)CC[C@@H]1[NH3+] 88054158 343667561 /nfs/dbraw/zinc/66/75/61/343667561.db2.gz IAXAMGLMYHZGRN-WPRPVWTQSA-N 2 2 195.266 0.844 20 0 ACADLP C[N@@H+]1CCC[C@H]1c1nnc(C[NH3+])o1 95828839 343687797 /nfs/dbraw/zinc/68/77/97/343687797.db2.gz HOBQPGAYJDDBHJ-LURJTMIESA-N 2 2 182.227 0.295 20 0 ACADLP C[N@H+]1CCC[C@H]1c1nnc(C[NH3+])o1 95828839 343687799 /nfs/dbraw/zinc/68/77/99/343687799.db2.gz HOBQPGAYJDDBHJ-LURJTMIESA-N 2 2 182.227 0.295 20 0 ACADLP [NH3+]CC[N@H+](C1CC1)[C@@H]1CCSC1 107132386 343743140 /nfs/dbraw/zinc/74/31/40/343743140.db2.gz WYPQGBGHMHWCEY-SECBINFHSA-N 2 2 186.324 0.915 20 0 ACADLP [NH3+]CC[N@@H+](C1CC1)[C@@H]1CCSC1 107132386 343743142 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194.282 0.513 20 0 ACADLP Cc1n[nH]cc1C[N@H+]1CCC[NH2+]CC1 107360437 343749471 /nfs/dbraw/zinc/74/94/71/343749471.db2.gz FTDSJSNKOWLDQB-UHFFFAOYSA-N 2 2 194.282 0.513 20 0 ACADLP [NH3+]CCc1[nH+]cc2c(F)cccn12 107338334 343749740 /nfs/dbraw/zinc/74/97/40/343749740.db2.gz ITNZFTFIEXIZHB-UHFFFAOYSA-N 2 2 179.198 0.975 20 0 ACADLP CC1CC([NH2+]C[C@H]2C[NH2+]CCO2)C1 123546922 343784461 /nfs/dbraw/zinc/78/44/61/343784461.db2.gz XIDAFHHZAGYERI-UDNWOFFPSA-N 2 2 184.283 0.363 20 0 ACADLP CC1CC([NH2+]C[C@@H]2C[NH2+]CCO2)C1 123546694 343784542 /nfs/dbraw/zinc/78/45/42/343784542.db2.gz XIDAFHHZAGYERI-RTBKNWGFSA-N 2 2 184.283 0.363 20 0 ACADLP CCSCC[N@H+](C)CC[NH3+] 129332083 343847973 /nfs/dbraw/zinc/84/79/73/343847973.db2.gz KDNVSUTVLUBUCJ-UHFFFAOYSA-N 2 2 162.302 0.630 20 0 ACADLP CCSCC[N@@H+](C)CC[NH3+] 129332083 343847975 /nfs/dbraw/zinc/84/79/75/343847975.db2.gz KDNVSUTVLUBUCJ-UHFFFAOYSA-N 2 2 162.302 0.630 20 0 ACADLP C[C@@H]1C[C@H]1C[NH2+][C@@H]1CC[N@H+](C)C1 130215355 343865087 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0.219 20 0 ACADLP CCOC(=O)[C@H](C)[N@H+](C)CCC[NH3+] 133800164 343927135 /nfs/dbraw/zinc/92/71/35/343927135.db2.gz WOFUJFRHBIPIFS-QMMMGPOBSA-N 2 2 188.271 0.219 20 0 ACADLP CCOC(=O)[C@H](C)[N@@H+](C)CCC[NH3+] 133800164 343927136 /nfs/dbraw/zinc/92/71/36/343927136.db2.gz WOFUJFRHBIPIFS-QMMMGPOBSA-N 2 2 188.271 0.219 20 0 ACADLP C[C@@H]1OCC[C@H]1[NH2+][C@@H]1CCC[NH2+]C1 134534249 343944613 /nfs/dbraw/zinc/94/46/13/343944613.db2.gz VPUXIWUXJMNUFA-IVZWLZJFSA-N 2 2 184.283 0.505 20 0 ACADLP C[C@@H]1OCC[C@@H]1[NH2+][C@@H]1CCC[NH2+]C1 134534289 343944621 /nfs/dbraw/zinc/94/46/21/343944621.db2.gz VPUXIWUXJMNUFA-AEJSXWLSSA-N 2 2 184.283 0.505 20 0 ACADLP CCN1CC[NH2+]CC[N@H+](CC)CC1 138152986 343988304 /nfs/dbraw/zinc/98/83/04/343988304.db2.gz GLUXCQAUXNEHOY-UHFFFAOYSA-N 2 2 185.315 0.233 20 0 ACADLP CCN1CC[NH2+]CC[N@@H+](CC)CC1 138152986 343988306 /nfs/dbraw/zinc/98/83/06/343988306.db2.gz GLUXCQAUXNEHOY-UHFFFAOYSA-N 2 2 185.315 0.233 20 0 ACADLP C[N@@H+]1CCC[C@@H]1C(N)=[NH2+] 141764089 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/nfs/dbraw/zinc/07/08/93/344070893.db2.gz JVXPHMJTNPYYPM-IUCAKERBSA-N 2 2 172.272 0.444 20 0 ACADLP C[C@@H]1CC[C@@H](C[N@@H+]2CCC[C@H]([NH3+])C2)O1 149748583 344070946 /nfs/dbraw/zinc/07/09/46/344070946.db2.gz ZCYUGLZQZPQHPY-VWYCJHECSA-N 2 2 198.310 0.977 20 0 ACADLP C[C@@H]1CC[C@@H](C[N@H+]2CCC[C@H]([NH3+])C2)O1 149748583 344070950 /nfs/dbraw/zinc/07/09/50/344070950.db2.gz ZCYUGLZQZPQHPY-VWYCJHECSA-N 2 2 198.310 0.977 20 0 ACADLP C[C@@H]1CC[C@H](C[N@@H+]2CCC[C@H]([NH3+])C2)O1 149748156 344070962 /nfs/dbraw/zinc/07/09/62/344070962.db2.gz ZCYUGLZQZPQHPY-OUAUKWLOSA-N 2 2 198.310 0.977 20 0 ACADLP C[C@@H]1CC[C@H](C[N@H+]2CCC[C@H]([NH3+])C2)O1 149748156 344070966 /nfs/dbraw/zinc/07/09/66/344070966.db2.gz ZCYUGLZQZPQHPY-OUAUKWLOSA-N 2 2 198.310 0.977 20 0 ACADLP C[C@H]1CC[C@H](C[N@H+](C)CC[NH3+])O1 149754087 344070980 /nfs/dbraw/zinc/07/09/80/344070980.db2.gz JVXPHMJTNPYYPM-DTWKUNHWSA-N 2 2 172.272 0.444 20 0 ACADLP C[C@H]1CC[C@H](C[N@@H+](C)CC[NH3+])O1 149754087 344070983 /nfs/dbraw/zinc/07/09/83/344070983.db2.gz JVXPHMJTNPYYPM-DTWKUNHWSA-N 2 2 172.272 0.444 20 0 ACADLP C[C@@H]1CC[C@H](C[N@@H+]2CC[C@H]([NH3+])C2)O1 149751394 344070990 /nfs/dbraw/zinc/07/09/90/344070990.db2.gz SWKSGFGKYJONBN-KXUCPTDWSA-N 2 2 184.283 0.587 20 0 ACADLP C[C@@H]1CC[C@H](C[N@H+]2CC[C@H]([NH3+])C2)O1 149751394 344070991 /nfs/dbraw/zinc/07/09/91/344070991.db2.gz SWKSGFGKYJONBN-KXUCPTDWSA-N 2 2 184.283 0.587 20 0 ACADLP C[C@H]1CC[C@@H](C[N@@H+]2CC[C@H]([NH3+])C2)O1 149752049 344071045 /nfs/dbraw/zinc/07/10/45/344071045.db2.gz SWKSGFGKYJONBN-GUBZILKMSA-N 2 2 184.283 0.587 20 0 ACADLP C[C@H]1CC[C@@H](C[N@H+]2CC[C@H]([NH3+])C2)O1 149752049 344071046 /nfs/dbraw/zinc/07/10/46/344071046.db2.gz SWKSGFGKYJONBN-GUBZILKMSA-N 2 2 184.283 0.587 20 0 ACADLP C[NH2+][C@H]1CC[N@H+](CC(C)(C)O)C1 150163939 344077799 /nfs/dbraw/zinc/07/77/99/344077799.db2.gz FCWVWJLPKDMMGX-QMMMGPOBSA-N 2 2 172.272 0.051 20 0 ACADLP C[NH2+][C@H]1CC[N@@H+](CC(C)(C)O)C1 150163939 344077800 /nfs/dbraw/zinc/07/78/00/344077800.db2.gz FCWVWJLPKDMMGX-QMMMGPOBSA-N 2 2 172.272 0.051 20 0 ACADLP C[NH2+][C@@H]1CC[N@H+](CC(C)(C)O)C1 150164151 344077955 /nfs/dbraw/zinc/07/79/55/344077955.db2.gz FCWVWJLPKDMMGX-MRVPVSSYSA-N 2 2 172.272 0.051 20 0 ACADLP C[NH2+][C@@H]1CC[N@@H+](CC(C)(C)O)C1 150164151 344077959 /nfs/dbraw/zinc/07/79/59/344077959.db2.gz FCWVWJLPKDMMGX-MRVPVSSYSA-N 2 2 172.272 0.051 20 0 ACADLP C[C@H]([NH3+])C[N@@H+]1CCCO[C@H](C)C1 156540477 344090322 /nfs/dbraw/zinc/09/03/22/344090322.db2.gz SARLNSLKDPMNGR-DTWKUNHWSA-N 2 2 172.272 0.444 20 0 ACADLP C[C@H]([NH3+])C[N@H+]1CCCO[C@H](C)C1 156540477 344090324 /nfs/dbraw/zinc/09/03/24/344090324.db2.gz SARLNSLKDPMNGR-DTWKUNHWSA-N 2 2 172.272 0.444 20 0 ACADLP C[C@H]([NH3+])C[N@H+](C)[C@H]1CCOC1 156547203 344090648 /nfs/dbraw/zinc/09/06/48/344090648.db2.gz SCAOMMWCVMPNIG-YUMQZZPRSA-N 2 2 158.245 0.054 20 0 ACADLP C[C@H]([NH3+])C[N@@H+](C)[C@H]1CCOC1 156547203 344090652 /nfs/dbraw/zinc/09/06/52/344090652.db2.gz SCAOMMWCVMPNIG-YUMQZZPRSA-N 2 2 158.245 0.054 20 0 ACADLP C[C@@H]([NH3+])C[N@H+](C)[C@H]1CCOC1 156547346 344090947 /nfs/dbraw/zinc/09/09/47/344090947.db2.gz SCAOMMWCVMPNIG-SFYZADRCSA-N 2 2 158.245 0.054 20 0 ACADLP C[C@@H]([NH3+])C[N@@H+](C)[C@H]1CCOC1 156547346 344090948 /nfs/dbraw/zinc/09/09/48/344090948.db2.gz SCAOMMWCVMPNIG-SFYZADRCSA-N 2 2 158.245 0.054 20 0 ACADLP C[C@H]([NH3+])C[N@@H+]1C[C@H](C)OC(C)(C)C1 158480187 344127836 /nfs/dbraw/zinc/12/78/36/344127836.db2.gz SJBWHKYSUJUFLA-IUCAKERBSA-N 2 2 186.299 0.833 20 0 ACADLP C[C@H]([NH3+])C[N@H+]1C[C@H](C)OC(C)(C)C1 158480187 344127839 /nfs/dbraw/zinc/12/78/39/344127839.db2.gz SJBWHKYSUJUFLA-IUCAKERBSA-N 2 2 186.299 0.833 20 0 ACADLP CCSCC[N@H+]1CC[C@@H]([NH3+])C1 158552630 344128955 /nfs/dbraw/zinc/12/89/55/344128955.db2.gz VKDTXYKNYSJSPG-MRVPVSSYSA-N 2 2 174.313 0.773 20 0 ACADLP CCSCC[N@@H+]1CC[C@@H]([NH3+])C1 158552630 344128952 /nfs/dbraw/zinc/12/89/52/344128952.db2.gz VKDTXYKNYSJSPG-MRVPVSSYSA-N 2 2 174.313 0.773 20 0 ACADLP CCSCC[N@@H+]1CC[C@H]([NH3+])C1 158569261 344129200 /nfs/dbraw/zinc/12/92/00/344129200.db2.gz VKDTXYKNYSJSPG-QMMMGPOBSA-N 2 2 174.313 0.773 20 0 ACADLP CCSCC[N@H+]1CC[C@H]([NH3+])C1 158569261 344129203 /nfs/dbraw/zinc/12/92/03/344129203.db2.gz VKDTXYKNYSJSPG-QMMMGPOBSA-N 2 2 174.313 0.773 20 0 ACADLP CC[N@@H+]1CC[C@H](OC)C[C@@H]1C[NH3+] 159315912 344142152 /nfs/dbraw/zinc/14/21/52/344142152.db2.gz SIJMSKOEEYQPDX-BDAKNGLRSA-N 2 2 172.272 0.444 20 0 ACADLP CC[N@H+]1CC[C@H](OC)C[C@@H]1C[NH3+] 159315912 344142156 /nfs/dbraw/zinc/14/21/56/344142156.db2.gz SIJMSKOEEYQPDX-BDAKNGLRSA-N 2 2 172.272 0.444 20 0 ACADLP CC[N@@H+]1CC[C@@H](OC)C[C@@H]1C[NH3+] 159316056 344142200 /nfs/dbraw/zinc/14/22/00/344142200.db2.gz SIJMSKOEEYQPDX-RKDXNWHRSA-N 2 2 172.272 0.444 20 0 ACADLP CC[N@H+]1CC[C@@H](OC)C[C@@H]1C[NH3+] 159316056 344142202 /nfs/dbraw/zinc/14/22/02/344142202.db2.gz SIJMSKOEEYQPDX-RKDXNWHRSA-N 2 2 172.272 0.444 20 0 ACADLP Cc1cnccc1C[NH2+][C@H]1CC[NH2+]C1 160602881 344171290 /nfs/dbraw/zinc/17/12/90/344171290.db2.gz WYAGCUKWYWCFOD-NSHDSACASA-N 2 2 191.278 0.842 20 0 ACADLP Cc1cnccc1C[NH2+][C@@H]1CC[NH2+]C1 160602759 344171521 /nfs/dbraw/zinc/17/15/21/344171521.db2.gz WYAGCUKWYWCFOD-LLVKDONJSA-N 2 2 191.278 0.842 20 0 ACADLP C[N@@H+]1CCC[C@@H]1C[NH2+]C1CCOCC1 164452007 344245268 /nfs/dbraw/zinc/24/52/68/344245268.db2.gz ADHQJBNUVUEKDK-LLVKDONJSA-N 2 2 198.310 0.849 20 0 ACADLP C[N@H+]1CCC[C@@H]1C[NH2+]C1CCOCC1 164452007 344245269 /nfs/dbraw/zinc/24/52/69/344245269.db2.gz ADHQJBNUVUEKDK-LLVKDONJSA-N 2 2 198.310 0.849 20 0 ACADLP CC[N@@H+]1CCc2[nH+]c[nH]c2C1 165442625 344263875 /nfs/dbraw/zinc/26/38/75/344263875.db2.gz VMCPAKDRLLGHDT-UHFFFAOYSA-N 2 2 151.213 0.788 20 0 ACADLP CC[N@H+]1CCc2[nH+]c[nH]c2C1 165442625 344263878 /nfs/dbraw/zinc/26/38/78/344263878.db2.gz VMCPAKDRLLGHDT-UHFFFAOYSA-N 2 2 151.213 0.788 20 0 ACADLP COC[C@@H](C)[NH2+]C[C@H]1CCC[N@@H+]1C 166887460 344292020 /nfs/dbraw/zinc/29/20/20/344292020.db2.gz XKFDOGXBYSYGFX-NXEZZACHSA-N 2 2 186.299 0.705 20 0 ACADLP COC[C@@H](C)[NH2+]C[C@H]1CCC[N@H+]1C 166887460 344292021 /nfs/dbraw/zinc/29/20/21/344292021.db2.gz XKFDOGXBYSYGFX-NXEZZACHSA-N 2 2 186.299 0.705 20 0 ACADLP COC[C@H](C)[NH2+]C[C@H]1CCC[N@@H+]1C 166887347 344292267 /nfs/dbraw/zinc/29/22/67/344292267.db2.gz XKFDOGXBYSYGFX-VHSXEESVSA-N 2 2 186.299 0.705 20 0 ACADLP COC[C@H](C)[NH2+]C[C@H]1CCC[N@H+]1C 166887347 344292269 /nfs/dbraw/zinc/29/22/69/344292269.db2.gz XKFDOGXBYSYGFX-VHSXEESVSA-N 2 2 186.299 0.705 20 0 ACADLP C[N@@H+](C1CC[NH2+]CC1)C1COC1 167620398 344309748 /nfs/dbraw/zinc/30/97/48/344309748.db2.gz BSWHTZZQNAQJAO-UHFFFAOYSA-N 2 2 170.256 0.069 20 0 ACADLP C[N@H+](C1CC[NH2+]CC1)C1COC1 167620398 344309751 /nfs/dbraw/zinc/30/97/51/344309751.db2.gz BSWHTZZQNAQJAO-UHFFFAOYSA-N 2 2 170.256 0.069 20 0 ACADLP C1C[C@@H]([N@@H+]2CC[C@H]3CC[C@@H](C2)[NH2+]3)CO1 169031334 344343173 /nfs/dbraw/zinc/34/31/73/344343173.db2.gz OJFBNQKRTJXZGT-OUAUKWLOSA-N 2 2 196.294 0.602 20 0 ACADLP C1C[C@@H]([N@H+]2CC[C@H]3CC[C@@H](C2)[NH2+]3)CO1 169031334 344343174 /nfs/dbraw/zinc/34/31/74/344343174.db2.gz OJFBNQKRTJXZGT-OUAUKWLOSA-N 2 2 196.294 0.602 20 0 ACADLP [NH3+][C@H]1C[NH2+]C[C@@H]1c1ccco1 211377977 344377320 /nfs/dbraw/zinc/37/73/20/344377320.db2.gz RKQMRCHOUHFKNZ-BQBZGAKWSA-N 2 2 152.197 0.294 20 0 ACADLP [NH3+][C@@H]1C[NH2+]C[C@H]1c1ccco1 211378048 344377453 /nfs/dbraw/zinc/37/74/53/344377453.db2.gz RKQMRCHOUHFKNZ-RNFRBKRXSA-N 2 2 152.197 0.294 20 0 ACADLP [NH3+][C@H]1C[NH2+]C[C@H]1c1ccco1 211377920 344377521 /nfs/dbraw/zinc/37/75/21/344377521.db2.gz RKQMRCHOUHFKNZ-RQJHMYQMSA-N 2 2 152.197 0.294 20 0 ACADLP [NH3+][C@@H]1C[NH2+]C[C@@H]1c1ccco1 211378107 344377525 /nfs/dbraw/zinc/37/75/25/344377525.db2.gz RKQMRCHOUHFKNZ-NKWVEPMBSA-N 2 2 152.197 0.294 20 0 ACADLP OCC[NH+]1CCC([NH+]2CCCC2)CC1 211703264 344378531 /nfs/dbraw/zinc/37/85/31/344378531.db2.gz GTNYCTZAPAFMPX-UHFFFAOYSA-N 2 2 198.310 0.539 20 0 ACADLP CC(C)[NH2+][C@@H]1CCC[N@H+](CCO)C1 212073778 344379460 /nfs/dbraw/zinc/37/94/60/344379460.db2.gz UHHVTVOKONWQKE-SNVBAGLBSA-N 2 2 186.299 0.441 20 0 ACADLP CC(C)[NH2+][C@@H]1CCC[N@@H+](CCO)C1 212073778 344379462 /nfs/dbraw/zinc/37/94/62/344379462.db2.gz UHHVTVOKONWQKE-SNVBAGLBSA-N 2 2 186.299 0.441 20 0 ACADLP CC(C)[NH2+][C@H]1CCC[N@H+](CCO)C1 212073840 344379515 /nfs/dbraw/zinc/37/95/15/344379515.db2.gz UHHVTVOKONWQKE-JTQLQIEISA-N 2 2 186.299 0.441 20 0 ACADLP CC(C)[NH2+][C@H]1CCC[N@@H+](CCO)C1 212073840 344379517 /nfs/dbraw/zinc/37/95/17/344379517.db2.gz UHHVTVOKONWQKE-JTQLQIEISA-N 2 2 186.299 0.441 20 0 ACADLP C[C@H]([NH3+])C[NH+]1CCC(F)CC1 217500552 344402255 /nfs/dbraw/zinc/40/22/55/344402255.db2.gz DFLUMVCETIISRL-ZETCQYMHSA-N 2 2 160.236 0.768 20 0 ACADLP [NH3+][C@H]1CC[N@@H+](C2CC2)C[C@H]1F 218520005 344413320 /nfs/dbraw/zinc/41/33/20/344413320.db2.gz NMNDGFBFFKGLQG-SFYZADRCSA-N 2 2 158.220 0.520 20 0 ACADLP C[NH+](C)[C@@H](C[NH3+])Cc1ccc(O)cc1 219840805 344428423 /nfs/dbraw/zinc/42/84/23/344428423.db2.gz BZQUFQJEVJFGHS-SNVBAGLBSA-N 2 2 194.278 0.824 20 0 ACADLP C[C@@H](CC[NH3+])[NH2+]CC(F)F 220528287 344433168 /nfs/dbraw/zinc/43/31/68/344433168.db2.gz KIZJFTKIMPRKNB-YFKPBYRVSA-N 2 2 152.188 0.578 20 0 ACADLP C[C@H](CC[NH3+])[NH2+]CC(F)F 220528358 344433180 /nfs/dbraw/zinc/43/31/80/344433180.db2.gz KIZJFTKIMPRKNB-RXMQYKEDSA-N 2 2 152.188 0.578 20 0 ACADLP C[N@@H+]1CCC[C@@H]1C[NH2+]CC1(C)COC1 226011988 344490396 /nfs/dbraw/zinc/49/03/96/344490396.db2.gz NKXYAILCRFASAA-SNVBAGLBSA-N 2 2 198.310 0.707 20 0 ACADLP C[N@H+]1CCC[C@@H]1C[NH2+]CC1(C)COC1 226011988 344490400 /nfs/dbraw/zinc/49/04/00/344490400.db2.gz NKXYAILCRFASAA-SNVBAGLBSA-N 2 2 198.310 0.707 20 0 ACADLP C[C@H]([NH3+])C[N@@H+]1CCSC[C@@H]1C 226403238 344501919 /nfs/dbraw/zinc/50/19/19/344501919.db2.gz RVBNPBAFZBZMKN-YUMQZZPRSA-N 2 2 174.313 0.771 20 0 ACADLP C[C@H]([NH3+])C[N@H+]1CCSC[C@@H]1C 226403238 344501921 /nfs/dbraw/zinc/50/19/21/344501921.db2.gz RVBNPBAFZBZMKN-YUMQZZPRSA-N 2 2 174.313 0.771 20 0 ACADLP C[C@H]([NH2+][C@H]1CC[NH2+]C1)[C@@H]1CCCO1 226431711 344502678 /nfs/dbraw/zinc/50/26/78/344502678.db2.gz PAPDMQDKZMLFKE-GUBZILKMSA-N 2 2 184.283 0.505 20 0 ACADLP COC[C@H](C)[N@@H+]1CCC[C@@H]([NH3+])C1 226705514 344510767 /nfs/dbraw/zinc/51/07/67/344510767.db2.gz PENDWKYOOFAILB-DTWKUNHWSA-N 2 2 172.272 0.444 20 0 ACADLP COC[C@H](C)[N@H+]1CCC[C@@H]([NH3+])C1 226705514 344510768 /nfs/dbraw/zinc/51/07/68/344510768.db2.gz PENDWKYOOFAILB-DTWKUNHWSA-N 2 2 172.272 0.444 20 0 ACADLP COC[C@@H](C)[N@@H+]1CCC[C@@H]([NH3+])C1 226705507 344510854 /nfs/dbraw/zinc/51/08/54/344510854.db2.gz PENDWKYOOFAILB-RKDXNWHRSA-N 2 2 172.272 0.444 20 0 ACADLP COC[C@@H](C)[N@H+]1CCC[C@@H]([NH3+])C1 226705507 344510855 /nfs/dbraw/zinc/51/08/55/344510855.db2.gz PENDWKYOOFAILB-RKDXNWHRSA-N 2 2 172.272 0.444 20 0 ACADLP C[NH2+][C@@H]1CC[N@H+](C[C@@H]2CC[C@@H](C)O2)C1 227056097 344520935 /nfs/dbraw/zinc/52/09/35/344520935.db2.gz FHFHVUWIPOLNGK-MXWKQRLJSA-N 2 2 198.310 0.848 20 0 ACADLP C[NH2+][C@@H]1CC[N@@H+](C[C@@H]2CC[C@@H](C)O2)C1 227056097 344520938 /nfs/dbraw/zinc/52/09/38/344520938.db2.gz FHFHVUWIPOLNGK-MXWKQRLJSA-N 2 2 198.310 0.848 20 0 ACADLP C[C@H]1CC[C@@H](C[N@@H+]2CC[C@@H]([NH3+])C2)O1 227067792 344520970 /nfs/dbraw/zinc/52/09/70/344520970.db2.gz SWKSGFGKYJONBN-AEJSXWLSSA-N 2 2 184.283 0.587 20 0 ACADLP C[C@H]1CC[C@@H](C[N@H+]2CC[C@@H]([NH3+])C2)O1 227067792 344520971 /nfs/dbraw/zinc/52/09/71/344520971.db2.gz SWKSGFGKYJONBN-AEJSXWLSSA-N 2 2 184.283 0.587 20 0 ACADLP C[C@H]1CC[C@H](C[N@@H+]2CC[C@@H]([NH3+])C2)O1 227067809 344521059 /nfs/dbraw/zinc/52/10/59/344521059.db2.gz SWKSGFGKYJONBN-IVZWLZJFSA-N 2 2 184.283 0.587 20 0 ACADLP C[C@H]1CC[C@H](C[N@H+]2CC[C@@H]([NH3+])C2)O1 227067809 344521060 /nfs/dbraw/zinc/52/10/60/344521060.db2.gz SWKSGFGKYJONBN-IVZWLZJFSA-N 2 2 184.283 0.587 20 0 ACADLP C[C@@H]1CC[C@@H](C[N@@H+]2CC[C@@H]([NH3+])C2)O1 227067782 344521093 /nfs/dbraw/zinc/52/10/93/344521093.db2.gz SWKSGFGKYJONBN-BBBLOLIVSA-N 2 2 184.283 0.587 20 0 ACADLP C[C@@H]1CC[C@@H](C[N@H+]2CC[C@@H]([NH3+])C2)O1 227067782 344521095 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C[C@@H]1OCC[C@@H]1[NH2+]C[C@H]1CCC[N@H+]1C 252688827 344908799 /nfs/dbraw/zinc/90/87/99/344908799.db2.gz PLAGHJSZAVDQHZ-AXFHLTTASA-N 2 2 198.310 0.848 20 0 ACADLP C[C@@H]1OCC[C@H]1[NH2+]C[C@H]1CCC[N@@H+]1C 252688828 344909151 /nfs/dbraw/zinc/90/91/51/344909151.db2.gz PLAGHJSZAVDQHZ-HBNTYKKESA-N 2 2 198.310 0.848 20 0 ACADLP C[C@@H]1OCC[C@H]1[NH2+]C[C@H]1CCC[N@H+]1C 252688828 344909152 /nfs/dbraw/zinc/90/91/52/344909152.db2.gz PLAGHJSZAVDQHZ-HBNTYKKESA-N 2 2 198.310 0.848 20 0 ACADLP C[C@@H]1C[C@H]1C[NH2+][C@H]1CC[N@H+](C)C1 252744814 344911707 /nfs/dbraw/zinc/91/17/07/344911707.db2.gz OGGPIDGOKSFEIX-UTLUCORTSA-N 2 2 168.284 0.936 20 0 ACADLP C[C@@H]1C[C@H]1C[NH2+][C@H]1CC[N@@H+](C)C1 252744814 344911708 /nfs/dbraw/zinc/91/17/08/344911708.db2.gz OGGPIDGOKSFEIX-UTLUCORTSA-N 2 2 168.284 0.936 20 0 ACADLP C[C@@H]1C[C@@H]1C[NH2+][C@H]1CC[N@H+](C)C1 252744813 344911896 /nfs/dbraw/zinc/91/18/96/344911896.db2.gz OGGPIDGOKSFEIX-BBBLOLIVSA-N 2 2 168.284 0.936 20 0 ACADLP C[C@@H]1C[C@@H]1C[NH2+][C@H]1CC[N@@H+](C)C1 252744813 344911898 /nfs/dbraw/zinc/91/18/98/344911898.db2.gz OGGPIDGOKSFEIX-BBBLOLIVSA-N 2 2 168.284 0.936 20 0 ACADLP C[C@@H]1OCC[C@H]1[NH2+][C@H]1CCC[NH2+]C1 252750170 344912360 /nfs/dbraw/zinc/91/23/60/344912360.db2.gz VPUXIWUXJMNUFA-LPEHRKFASA-N 2 2 184.283 0.505 20 0 ACADLP C[C@@H]1OCC[C@@H]1[NH2+][C@H]1CC[NH2+]C1 252751244 344912567 /nfs/dbraw/zinc/91/25/67/344912567.db2.gz WQHOLDGBWMDKHR-CIUDSAMLSA-N 2 2 170.256 0.115 20 0 ACADLP C[C@@H]1OCC[C@@H]1[NH2+][C@H]1CCC[NH2+]C1 252750167 344912577 /nfs/dbraw/zinc/91/25/77/344912577.db2.gz VPUXIWUXJMNUFA-GUBZILKMSA-N 2 2 184.283 0.505 20 0 ACADLP C[C@@H]1OCC[C@H]1[NH2+][C@H]1CC[NH2+]C1 252751247 344912836 /nfs/dbraw/zinc/91/28/36/344912836.db2.gz WQHOLDGBWMDKHR-XHNCKOQMSA-N 2 2 170.256 0.115 20 0 ACADLP C1C[NH2+]C[C@@H](C[NH2+][C@@H]2CCC[NH2+]C2)C1 257859970 344943043 /nfs/dbraw/zinc/94/30/43/344943043.db2.gz QTVPZAQXFUMHBU-WDEREUQCSA-N 3 2 197.326 0.328 20 0 ACADLP C1C[NH2+]C[C@@H]([NH2+]C[C@@H]2CCC[NH2+]C2)C1 257859968 344943101 /nfs/dbraw/zinc/94/31/01/344943101.db2.gz QTVPZAQXFUMHBU-MNOVXSKESA-N 3 2 197.326 0.328 20 0 ACADLP C1C[NH2+]C[C@@H](C[NH2+][C@H]2CCC[NH2+]C2)C1 257859969 344943339 /nfs/dbraw/zinc/94/33/39/344943339.db2.gz QTVPZAQXFUMHBU-QWRGUYRKSA-N 3 2 197.326 0.328 20 0 ACADLP C[N@@H+]1CCC[C@H]1c1nc(C[NH3+])no1 257962936 344943767 /nfs/dbraw/zinc/94/37/67/344943767.db2.gz JLHRMBDWCXVOAI-LURJTMIESA-N 2 2 182.227 0.295 20 0 ACADLP C[N@H+]1CCC[C@H]1c1nc(C[NH3+])no1 257962936 344943770 /nfs/dbraw/zinc/94/37/70/344943770.db2.gz JLHRMBDWCXVOAI-LURJTMIESA-N 2 2 182.227 0.295 20 0 ACADLP C[C@H]([NH3+])CC[NH2+]C1CC[NH+](C)CC1 258671772 344945289 /nfs/dbraw/zinc/94/52/89/344945289.db2.gz CVARJEONHAXEGU-VIFPVBQESA-N 3 2 185.315 0.408 20 0 ACADLP CSC1CC[NH+](CC[NH3+])CC1 259336415 344948667 /nfs/dbraw/zinc/94/86/67/344948667.db2.gz XNZVEKJLQSCYQT-UHFFFAOYSA-N 2 2 174.313 0.773 20 0 ACADLP C[C@H]([NH3+])C1CC[NH+](CC[NH3+])CC1 259521658 344949216 /nfs/dbraw/zinc/94/92/16/344949216.db2.gz VURLKMWLKXLITG-QMMMGPOBSA-N 3 2 171.288 0.004 20 0 ACADLP C[C@@H]([NH3+])C1CC[NH+](CC[NH3+])CC1 259521657 344949320 /nfs/dbraw/zinc/94/93/20/344949320.db2.gz VURLKMWLKXLITG-MRVPVSSYSA-N 3 2 171.288 0.004 20 0 ACADLP C[C@H](O)C[N@@H+]1CCC[C@H]2C[NH2+]C[C@H]21 299894045 344958196 /nfs/dbraw/zinc/95/81/96/344958196.db2.gz RVSJIFOAWJLBLJ-LPEHRKFASA-N 2 2 184.283 0.051 20 0 ACADLP C[C@H](O)C[N@H+]1CCC[C@H]2C[NH2+]C[C@H]21 299894045 344958198 /nfs/dbraw/zinc/95/81/98/344958198.db2.gz RVSJIFOAWJLBLJ-LPEHRKFASA-N 2 2 184.283 0.051 20 0 ACADLP CO[C@@H]1CC[N@@H+](C[C@H]2CCC[NH2+]2)C1 300037027 344964665 /nfs/dbraw/zinc/96/46/65/344964665.db2.gz BXEQLOARDXUASF-NXEZZACHSA-N 2 2 184.283 0.459 20 0 ACADLP C[C@@H]1C[N@H+](C[C@@H]2CCCCO2)C[C@H]1[NH3+] 300046902 344965958 /nfs/dbraw/zinc/96/59/58/344965958.db2.gz AYQRQJHPQLXROM-OUAUKWLOSA-N 2 2 198.310 0.835 20 0 ACADLP C[C@@H]1C[N@@H+](C[C@@H]2CCCCO2)C[C@H]1[NH3+] 300046902 344965961 /nfs/dbraw/zinc/96/59/61/344965961.db2.gz AYQRQJHPQLXROM-OUAUKWLOSA-N 2 2 198.310 0.835 20 0 ACADLP C[C@@H]1C[N@H+](C[C@H]2CCCCO2)C[C@H]1[NH3+] 300046900 344966097 /nfs/dbraw/zinc/96/60/97/344966097.db2.gz AYQRQJHPQLXROM-GMTAPVOTSA-N 2 2 198.310 0.835 20 0 ACADLP C[C@@H]1C[N@@H+](C[C@H]2CCCCO2)C[C@H]1[NH3+] 300046900 344966100 /nfs/dbraw/zinc/96/61/00/344966100.db2.gz AYQRQJHPQLXROM-GMTAPVOTSA-N 2 2 198.310 0.835 20 0 ACADLP C[C@@H]1CN(Cc2c[nH+]c[nH]2)C[C@H]1[NH3+] 300050077 344967701 /nfs/dbraw/zinc/96/77/01/344967701.db2.gz XBIPWZVGQRXKNR-VXNVDRBHSA-N 2 2 180.255 0.189 20 0 ACADLP C[C@@H]1CN(Cc2c[nH]c[nH+]2)C[C@H]1[NH3+] 300050077 344967703 /nfs/dbraw/zinc/96/77/03/344967703.db2.gz XBIPWZVGQRXKNR-VXNVDRBHSA-N 2 2 180.255 0.189 20 0 ACADLP C[C@@H]1CC[C@H](C[N@H+]2C[C@@H]([NH3+])[C@H](C)C2)O1 300050178 344967991 /nfs/dbraw/zinc/96/79/91/344967991.db2.gz XXXMDAHHGXGHQC-GWOFURMSSA-N 2 2 198.310 0.833 20 0 ACADLP C[C@@H](O)C[N@@H+]1CCC[C@H]2C[NH2+]C[C@H]21 300221534 344971567 /nfs/dbraw/zinc/97/15/67/344971567.db2.gz RVSJIFOAWJLBLJ-KXUCPTDWSA-N 2 2 184.283 0.051 20 0 ACADLP C[C@@H](O)C[N@H+]1CCC[C@H]2C[NH2+]C[C@H]21 300221534 344971570 /nfs/dbraw/zinc/97/15/70/344971570.db2.gz RVSJIFOAWJLBLJ-KXUCPTDWSA-N 2 2 184.283 0.051 20 0 ACADLP C1C[C@H]([NH2+][C@@H]2CCO[C@H]2C2CC2)C[NH2+]1 300390327 344981633 /nfs/dbraw/zinc/98/16/33/344981633.db2.gz RGKFRQLFVWJPDF-AXFHLTTASA-N 2 2 196.294 0.505 20 0 ACADLP CCN(CC[NH3+])Cc1[nH+]ccn1CC 300849814 345005358 /nfs/dbraw/zinc/00/53/58/345005358.db2.gz SMVNCMHIANZYIX-UHFFFAOYSA-N 2 2 196.298 0.684 20 0 ACADLP C[C@@H]([NH3+])C(=O)Nc1cc[nH+]cc1O 306172347 345064040 /nfs/dbraw/zinc/06/40/40/345064040.db2.gz LGOUGSWTWMEXFK-RXMQYKEDSA-N 2 2 181.195 0.073 20 0 ACADLP [NH3+][C@@H]1CC[N@@H+](C2CC2)C[C@H]1F 306196794 345086230 /nfs/dbraw/zinc/08/62/30/345086230.db2.gz NMNDGFBFFKGLQG-HTQZYQBOSA-N 2 2 158.220 0.520 20 0 ACADLP [NH3+][C@@H]1CC[N@H+](C2CC2)C[C@H]1F 306196794 345086232 /nfs/dbraw/zinc/08/62/32/345086232.db2.gz NMNDGFBFFKGLQG-HTQZYQBOSA-N 2 2 158.220 0.520 20 0 ACADLP [NH3+]CC[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 306233952 345127162 /nfs/dbraw/zinc/12/71/62/345127162.db2.gz NASRETCXDNOLGR-LPEHRKFASA-N 3 2 183.299 0.004 20 0 ACADLP [NH3+]CC[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 306233947 345126947 /nfs/dbraw/zinc/12/69/47/345126947.db2.gz NASRETCXDNOLGR-GUBZILKMSA-N 3 2 183.299 0.004 20 0 ACADLP [NH3+]CC[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 306233947 345126951 /nfs/dbraw/zinc/12/69/51/345126951.db2.gz NASRETCXDNOLGR-GUBZILKMSA-N 3 2 183.299 0.004 20 0 ACADLP [NH3+]CC[N@H+]1C[C@H]2[C@@H]([NH3+])CCC[C@H]2C1 306233945 345126996 /nfs/dbraw/zinc/12/69/96/345126996.db2.gz NASRETCXDNOLGR-AEJSXWLSSA-N 3 2 183.299 0.004 20 0 ACADLP [NH3+]CC[N@@H+]1C[C@H]2[C@@H]([NH3+])CCC[C@H]2C1 306233945 345126997 /nfs/dbraw/zinc/12/69/97/345126997.db2.gz NASRETCXDNOLGR-AEJSXWLSSA-N 3 2 183.299 0.004 20 0 ACADLP [NH3+]CC[N@H+]1C[C@H]2[C@H]([NH3+])CCC[C@H]2C1 306233949 345127117 /nfs/dbraw/zinc/12/71/17/345127117.db2.gz NASRETCXDNOLGR-IVZWLZJFSA-N 3 2 183.299 0.004 20 0 ACADLP [NH3+]CC[N@@H+]1C[C@H]2[C@H]([NH3+])CCC[C@H]2C1 306233949 345127119 /nfs/dbraw/zinc/12/71/19/345127119.db2.gz NASRETCXDNOLGR-IVZWLZJFSA-N 3 2 183.299 0.004 20 0 ACADLP [NH3+]CC[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 306233952 345127161 /nfs/dbraw/zinc/12/71/61/345127161.db2.gz NASRETCXDNOLGR-LPEHRKFASA-N 3 2 183.299 0.004 20 0 ACADLP C[C@H]1C[C@H](O)C[N@@H+]1CCn1cc[nH+]c1 306257500 345148100 /nfs/dbraw/zinc/14/81/00/345148100.db2.gz YTVAKTGEWIXHLJ-UWVGGRQHSA-N 2 2 195.266 0.338 20 0 ACADLP C[C@H]1C[C@@H](O)C[N@@H+]1CCn1cc[nH+]c1 306257501 345148239 /nfs/dbraw/zinc/14/82/39/345148239.db2.gz YTVAKTGEWIXHLJ-VHSXEESVSA-N 2 2 195.266 0.338 20 0 ACADLP C[C@H]1C[C@@H](O)C[N@H+]1CCn1cc[nH+]c1 306257501 345148241 /nfs/dbraw/zinc/14/82/41/345148241.db2.gz YTVAKTGEWIXHLJ-VHSXEESVSA-N 2 2 195.266 0.338 20 0 ACADLP CC1(C)CC[C@@H]1[NH2+]C[C@H]1C[NH2+]CCO1 306259114 345149801 /nfs/dbraw/zinc/14/98/01/345149801.db2.gz ZLRVZTUDRJWIHQ-ZJUUUORDSA-N 2 2 198.310 0.753 20 0 ACADLP CC1(C)CC[C@H]1[NH2+]C[C@@H]1C[NH2+]CCO1 306259113 345150036 /nfs/dbraw/zinc/15/00/36/345150036.db2.gz ZLRVZTUDRJWIHQ-VHSXEESVSA-N 2 2 198.310 0.753 20 0 ACADLP CC1(C)CC[C@@H]1[NH2+]C[C@@H]1C[NH2+]CCO1 306259112 345150065 /nfs/dbraw/zinc/15/00/65/345150065.db2.gz ZLRVZTUDRJWIHQ-UWVGGRQHSA-N 2 2 198.310 0.753 20 0 ACADLP CC1(C)CC[C@H]1[NH2+]C[C@H]1C[NH2+]CCO1 306259111 345150135 /nfs/dbraw/zinc/15/01/35/345150135.db2.gz ZLRVZTUDRJWIHQ-NXEZZACHSA-N 2 2 198.310 0.753 20 0 ACADLP C[C@@H]([NH3+])c1nc(C2([NH3+])CCC2)no1 306268257 345157335 /nfs/dbraw/zinc/15/73/35/345157335.db2.gz JGXJNLCLHRCEHT-RXMQYKEDSA-N 2 2 182.227 0.427 20 0 ACADLP CC(C)([NH3+])C[NH+]1CCC(C)([NH3+])CC1 306359398 345229861 /nfs/dbraw/zinc/22/98/61/345229861.db2.gz CIZPKYAMAFXAOD-UHFFFAOYSA-N 3 2 185.315 0.537 20 0 ACADLP [NH3+]C1CC[NH+](C[C@@H]2CCC[NH2+]C2)CC1 306366904 345236167 /nfs/dbraw/zinc/23/61/67/345236167.db2.gz BDLAVVFJPCRTGZ-SNVBAGLBSA-N 3 2 197.326 0.409 20 0 ACADLP [NH3+]C1CC[NH+](C[C@H]2CCC[NH2+]C2)CC1 306366900 345236282 /nfs/dbraw/zinc/23/62/82/345236282.db2.gz BDLAVVFJPCRTGZ-JTQLQIEISA-N 3 2 197.326 0.409 20 0 ACADLP C[C@H]([NH3+])c1nc(C2([NH3+])CCC2)no1 306398180 345259019 /nfs/dbraw/zinc/25/90/19/345259019.db2.gz JGXJNLCLHRCEHT-YFKPBYRVSA-N 2 2 182.227 0.427 20 0 ACADLP O[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCC[NH2+]C1 306402153 345262584 /nfs/dbraw/zinc/26/25/84/345262584.db2.gz QXCKZWHZAQEZRJ-OPRDCNLKSA-N 2 2 184.283 0.241 20 0 ACADLP O[C@@H]1CCC[C@H]1[NH2+][C@H]1CCC[NH2+]C1 306402148 345262566 /nfs/dbraw/zinc/26/25/66/345262566.db2.gz QXCKZWHZAQEZRJ-IVZWLZJFSA-N 2 2 184.283 0.241 20 0 ACADLP [NH3+]CC[NH+]1CCC(c2cn[nH]c2)CC1 306407737 345266898 /nfs/dbraw/zinc/26/68/98/345266898.db2.gz XQMRAAZNIVWKQS-UHFFFAOYSA-N 2 2 194.282 0.548 20 0 ACADLP C[C@H]([NH3+])C[N@@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 306441453 345302018 /nfs/dbraw/zinc/30/20/18/345302018.db2.gz SREBOIMVEDUKGB-AXFHLTTASA-N 3 2 197.326 0.217 20 0 ACADLP C[C@H]([NH3+])C[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 306441453 345302019 /nfs/dbraw/zinc/30/20/19/345302019.db2.gz SREBOIMVEDUKGB-AXFHLTTASA-N 3 2 197.326 0.217 20 0 ACADLP C[C@H]([NH3+])C[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 306441453 345302021 /nfs/dbraw/zinc/30/20/21/345302021.db2.gz SREBOIMVEDUKGB-AXFHLTTASA-N 3 2 197.326 0.217 20 0 ACADLP C[C@H]([NH3+])C[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 306441453 345302022 /nfs/dbraw/zinc/30/20/22/345302022.db2.gz SREBOIMVEDUKGB-AXFHLTTASA-N 3 2 197.326 0.217 20 0 ACADLP CC1(CO)CC[NH+](CC[NH3+])CC1 306447771 345307553 /nfs/dbraw/zinc/30/75/53/345307553.db2.gz WAFMLKYOBOPSJZ-UHFFFAOYSA-N 2 2 172.272 0.040 20 0 ACADLP Cc1c[nH+]ccc1NC(=O)[C@H]1CC[NH2+]1 306487903 345358098 /nfs/dbraw/zinc/35/80/98/345358098.db2.gz JPBBIGIUNIISKY-SECBINFHSA-N 2 2 191.234 0.690 20 0 ACADLP C[C@H]([NH3+])[C@@H]1CC[N@H+](CC(C)(C)[NH3+])C1 306525757 345397742 /nfs/dbraw/zinc/39/77/42/345397742.db2.gz RGJOBGXVIIOQQQ-DTWKUNHWSA-N 3 2 185.315 0.393 20 0 ACADLP C[C@H]([NH3+])[C@@H]1CC[N@@H+](CC(C)(C)[NH3+])C1 306525757 345397745 /nfs/dbraw/zinc/39/77/45/345397745.db2.gz RGJOBGXVIIOQQQ-DTWKUNHWSA-N 3 2 185.315 0.393 20 0 ACADLP C[C@H]([NH3+])[C@H]1CC[N@H+](CC(C)(C)[NH3+])C1 306525758 345397884 /nfs/dbraw/zinc/39/78/84/345397884.db2.gz RGJOBGXVIIOQQQ-IUCAKERBSA-N 3 2 185.315 0.393 20 0 ACADLP C[C@H]([NH3+])[C@H]1CC[N@@H+](CC(C)(C)[NH3+])C1 306525758 345397887 /nfs/dbraw/zinc/39/78/87/345397887.db2.gz RGJOBGXVIIOQQQ-IUCAKERBSA-N 3 2 185.315 0.393 20 0 ACADLP Cc1nc(NCC[NH+]2CCC2)cc[nH+]1 306547847 345422420 /nfs/dbraw/zinc/42/24/20/345422420.db2.gz XLBINICASGGMGP-UHFFFAOYSA-N 2 2 192.266 0.903 20 0 ACADLP C[C@@H]1CN(Cc2cn(C)c[nH+]2)C[C@H]1[NH3+] 306569428 345446798 /nfs/dbraw/zinc/44/67/98/345446798.db2.gz WNFZIRSDQQLTKY-PSASIEDQSA-N 2 2 194.282 0.199 20 0 ACADLP C[C@H]1[NH2+]CCC[C@H]1[NH+]1CCC1 306585959 345462513 /nfs/dbraw/zinc/46/25/13/345462513.db2.gz KPKZYFJPLHNWRS-RKDXNWHRSA-N 2 2 154.257 0.833 20 0 ACADLP C[C@@H]1[NH2+]CCC[C@H]1[NH+]1CCC1 306585956 345462542 /nfs/dbraw/zinc/46/25/42/345462542.db2.gz KPKZYFJPLHNWRS-DTWKUNHWSA-N 2 2 154.257 0.833 20 0 ACADLP C[C@@H]1[NH2+]CCC[C@@H]1[NH+]1CCC1 306585958 345462597 /nfs/dbraw/zinc/46/25/97/345462597.db2.gz KPKZYFJPLHNWRS-IUCAKERBSA-N 2 2 154.257 0.833 20 0 ACADLP C[C@H]1[NH2+]CCC[C@@H]1[NH+]1CCC1 306585954 345462644 /nfs/dbraw/zinc/46/26/44/345462644.db2.gz KPKZYFJPLHNWRS-BDAKNGLRSA-N 2 2 154.257 0.833 20 0 ACADLP C1=C(C[NH2+][C@@H]2CC[NH2+]C2)COCC1 306595432 345471692 /nfs/dbraw/zinc/47/16/92/345471692.db2.gz LCGOBWUAYIPXLA-SNVBAGLBSA-N 2 2 182.267 0.285 20 0 ACADLP C1=C(C[NH2+][C@H]2CC[NH2+]C2)COCC1 306595431 345471804 /nfs/dbraw/zinc/47/18/04/345471804.db2.gz LCGOBWUAYIPXLA-JTQLQIEISA-N 2 2 182.267 0.285 20 0 ACADLP c1c[nH+]c(CN2C[C@H]3C[NH2+]C[C@@H]3C2)[nH]1 306598756 345475279 /nfs/dbraw/zinc/47/52/79/345475279.db2.gz XUHWCEBFTNOHLJ-RKDXNWHRSA-N 2 2 192.266 0.061 20 0 ACADLP c1c[nH+]c(CN2C[C@@H]3C[NH2+]C[C@H]3C2)[nH]1 306598755 345475387 /nfs/dbraw/zinc/47/53/87/345475387.db2.gz XUHWCEBFTNOHLJ-IUCAKERBSA-N 2 2 192.266 0.061 20 0 ACADLP c1c[nH+]c(CN2C[C@@H]3C[NH2+]C[C@@H]3C2)[nH]1 306598754 345475419 /nfs/dbraw/zinc/47/54/19/345475419.db2.gz XUHWCEBFTNOHLJ-DTORHVGOSA-N 2 2 192.266 0.061 20 0 ACADLP C[C@@H]1[C@H]([NH3+])CCC[N@@H+]1C[C@H](O)CF 306644423 345513574 /nfs/dbraw/zinc/51/35/74/345513574.db2.gz ZLLUAIZGRFUZGU-IWSPIJDZSA-N 2 2 190.262 0.128 20 0 ACADLP C[C@@H]1[C@H]([NH3+])CCC[N@H+]1C[C@H](O)CF 306644423 345513577 /nfs/dbraw/zinc/51/35/77/345513577.db2.gz ZLLUAIZGRFUZGU-IWSPIJDZSA-N 2 2 190.262 0.128 20 0 ACADLP C[C@@H]1[C@H]([NH3+])CCC[N@@H+]1C[C@@H](O)CF 306644422 345513590 /nfs/dbraw/zinc/51/35/90/345513590.db2.gz ZLLUAIZGRFUZGU-HRDYMLBCSA-N 2 2 190.262 0.128 20 0 ACADLP C[C@@H]1[C@H]([NH3+])CCC[N@H+]1C[C@@H](O)CF 306644422 345513592 /nfs/dbraw/zinc/51/35/92/345513592.db2.gz ZLLUAIZGRFUZGU-HRDYMLBCSA-N 2 2 190.262 0.128 20 0 ACADLP Cc1n[nH]cc1C[N@@H+]1C[C@@H]([NH3+])[C@H](C)C1 306677704 345539990 /nfs/dbraw/zinc/53/99/90/345539990.db2.gz ZONZIAOILAMAHJ-GMSGAONNSA-N 2 2 194.282 0.497 20 0 ACADLP Cc1n[nH]cc1C[N@H+]1C[C@@H]([NH3+])[C@H](C)C1 306677704 345539992 /nfs/dbraw/zinc/53/99/92/345539992.db2.gz ZONZIAOILAMAHJ-GMSGAONNSA-N 2 2 194.282 0.497 20 0 ACADLP Cn1nccc1C[N@H+](C)C1CC([NH3+])C1 306742523 345586845 /nfs/dbraw/zinc/58/68/45/345586845.db2.gz VYMINEZPPWFFSF-UHFFFAOYSA-N 2 2 194.282 0.342 20 0 ACADLP C[C@]1(C[NH3+])CC[N@H+](Cc2ccon2)C1 306761147 345597200 /nfs/dbraw/zinc/59/72/00/345597200.db2.gz RMWRCTMDGXNEQK-SNVBAGLBSA-N 2 2 195.266 0.845 20 0 ACADLP C[C@]1(C[NH3+])CC[N@@H+](Cc2ccon2)C1 306761147 345597202 /nfs/dbraw/zinc/59/72/02/345597202.db2.gz RMWRCTMDGXNEQK-SNVBAGLBSA-N 2 2 195.266 0.845 20 0 ACADLP C1C[NH+](C[C@@H]2CC[NH2+]2)C1 306773887 345606254 /nfs/dbraw/zinc/60/62/54/345606254.db2.gz UZGJDCWRNGCOAQ-ZETCQYMHSA-N 2 2 126.203 0.054 20 0 ACADLP C1C[NH+](C[C@H]2CC[NH2+]2)C1 306773886 345606289 /nfs/dbraw/zinc/60/62/89/345606289.db2.gz UZGJDCWRNGCOAQ-SSDOTTSWSA-N 2 2 126.203 0.054 20 0 ACADLP [NH3+]C1CC[NH+](C[C@@H]2CC[NH2+]C2)CC1 306791191 345616893 /nfs/dbraw/zinc/61/68/93/345616893.db2.gz WQEFQVVUCRUSEV-SECBINFHSA-N 3 2 183.299 0.019 20 0 ACADLP [NH3+]C1CC[NH+](C[C@H]2CC[NH2+]C2)CC1 306791192 345616927 /nfs/dbraw/zinc/61/69/27/345616927.db2.gz WQEFQVVUCRUSEV-VIFPVBQESA-N 3 2 183.299 0.019 20 0 ACADLP COC1C[NH+](C[C@@H]2CCC[NH2+]C2)C1 306792607 345618627 /nfs/dbraw/zinc/61/86/27/345618627.db2.gz QZWZLYAANBZEBN-SECBINFHSA-N 2 2 184.283 0.317 20 0 ACADLP c1[nH]c(C[NH2+]C2CSC2)c[nH+]1 306799030 345622798 /nfs/dbraw/zinc/62/27/98/345622798.db2.gz DYTMDSKAQZBMIB-UHFFFAOYSA-N 2 2 169.253 0.615 20 0 ACADLP [NH3+]CC[NH+]1CCC(C(F)F)CC1 306851211 345657424 /nfs/dbraw/zinc/65/74/24/345657424.db2.gz QFQJXAZNIURJFU-UHFFFAOYSA-N 2 2 178.226 0.922 20 0 ACADLP C[C@@H]([NH3+])C[N@@H+]1CCOC[C@H](C)C1 306870478 345670107 /nfs/dbraw/zinc/67/01/07/345670107.db2.gz VJDIGHWCHIJZBJ-RKDXNWHRSA-N 2 2 172.272 0.302 20 0 ACADLP C[C@@H]([NH3+])C[N@H+]1CCOC[C@H](C)C1 306870478 345670109 /nfs/dbraw/zinc/67/01/09/345670109.db2.gz VJDIGHWCHIJZBJ-RKDXNWHRSA-N 2 2 172.272 0.302 20 0 ACADLP C[C@H]([NH3+])C[N@@H+]1CCOC[C@@H](C)C1 306870477 345670136 /nfs/dbraw/zinc/67/01/36/345670136.db2.gz VJDIGHWCHIJZBJ-IUCAKERBSA-N 2 2 172.272 0.302 20 0 ACADLP C[C@H]([NH3+])C[N@H+]1CCOC[C@@H](C)C1 306870477 345670138 /nfs/dbraw/zinc/67/01/38/345670138.db2.gz VJDIGHWCHIJZBJ-IUCAKERBSA-N 2 2 172.272 0.302 20 0 ACADLP C[C@@H]1COCC[N@@H+](C[C@@H](C)[NH3+])C1 306870475 345670194 /nfs/dbraw/zinc/67/01/94/345670194.db2.gz VJDIGHWCHIJZBJ-DTWKUNHWSA-N 2 2 172.272 0.302 20 0 ACADLP C[C@@H]1COCC[N@H+](C[C@@H](C)[NH3+])C1 306870475 345670196 /nfs/dbraw/zinc/67/01/96/345670196.db2.gz VJDIGHWCHIJZBJ-DTWKUNHWSA-N 2 2 172.272 0.302 20 0 ACADLP C[C@H]([NH3+])C[N@@H+]1CCOC[C@H](C)C1 306870412 345670200 /nfs/dbraw/zinc/67/02/00/345670200.db2.gz VJDIGHWCHIJZBJ-BDAKNGLRSA-N 2 2 172.272 0.302 20 0 ACADLP C[C@H]([NH3+])C[N@H+]1CCOC[C@H](C)C1 306870412 345670202 /nfs/dbraw/zinc/67/02/02/345670202.db2.gz VJDIGHWCHIJZBJ-BDAKNGLRSA-N 2 2 172.272 0.302 20 0 ACADLP C[C@H]1CC[C@H]([NH+]2CCC2)C[NH2+]1 306887796 345684635 /nfs/dbraw/zinc/68/46/35/345684635.db2.gz RGCRABWQANUWHT-IUCAKERBSA-N 2 2 154.257 0.833 20 0 ACADLP C[C@H]1CC[C@@H]([NH+]2CCC2)C[NH2+]1 306887795 345684909 /nfs/dbraw/zinc/68/49/09/345684909.db2.gz RGCRABWQANUWHT-DTWKUNHWSA-N 2 2 154.257 0.833 20 0 ACADLP C[C@@H]1CC[C@@H]([NH+]2CCC2)C[NH2+]1 306887797 345684913 /nfs/dbraw/zinc/68/49/13/345684913.db2.gz RGCRABWQANUWHT-RKDXNWHRSA-N 2 2 154.257 0.833 20 0 ACADLP C[C@@H]1CC[C@H]([NH+]2CCC2)C[NH2+]1 306887794 345684975 /nfs/dbraw/zinc/68/49/75/345684975.db2.gz RGCRABWQANUWHT-BDAKNGLRSA-N 2 2 154.257 0.833 20 0 ACADLP C[C@]1(C[NH+]2CCC([NH3+])CC2)CC[NH2+]C1 306927205 345702625 /nfs/dbraw/zinc/70/26/25/345702625.db2.gz SMVNSJXTHRWQCI-NSHDSACASA-N 3 2 197.326 0.409 20 0 ACADLP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]CCF 306964856 345722704 /nfs/dbraw/zinc/72/27/04/345722704.db2.gz JKLNYVYEMNVWGH-JGVFFNPUSA-N 2 2 160.236 0.686 20 0 ACADLP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]CCF 306964858 345722847 /nfs/dbraw/zinc/72/28/47/345722847.db2.gz JKLNYVYEMNVWGH-SFYZADRCSA-N 2 2 160.236 0.686 20 0 ACADLP C[C@H]1[NH2+]CCC[C@H]1[NH2+]CCF 306964854 345723016 /nfs/dbraw/zinc/72/30/16/345723016.db2.gz JKLNYVYEMNVWGH-HTQZYQBOSA-N 2 2 160.236 0.686 20 0 ACADLP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]CCF 306964860 345723051 /nfs/dbraw/zinc/72/30/51/345723051.db2.gz JKLNYVYEMNVWGH-YUMQZZPRSA-N 2 2 160.236 0.686 20 0 ACADLP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+][C@@H]1CCOC1 306966903 345723863 /nfs/dbraw/zinc/72/38/63/345723863.db2.gz MDMJUBZBVLOKDF-AEJSXWLSSA-N 2 2 184.283 0.505 20 0 ACADLP C[C@@H]1[NH2+]CCC[C@H]1[NH2+][C@@H]1CCOC1 306966905 345723947 /nfs/dbraw/zinc/72/39/47/345723947.db2.gz MDMJUBZBVLOKDF-IVZWLZJFSA-N 2 2 184.283 0.505 20 0 ACADLP C[C@@H]1[NH2+]CCC[C@H]1[NH2+][C@H]1CCOC1 306966907 345723954 /nfs/dbraw/zinc/72/39/54/345723954.db2.gz MDMJUBZBVLOKDF-LPEHRKFASA-N 2 2 184.283 0.505 20 0 ACADLP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+][C@H]1CCOC1 306966904 345723970 /nfs/dbraw/zinc/72/39/70/345723970.db2.gz MDMJUBZBVLOKDF-GUBZILKMSA-N 2 2 184.283 0.505 20 0 ACADLP Cc1cc(C[N@@H+](C)C2CC([NH3+])C2)on1 306996826 345741615 /nfs/dbraw/zinc/74/16/15/345741615.db2.gz UECYXHXTAFIWBI-UHFFFAOYSA-N 2 2 195.266 0.905 20 0 ACADLP Cc1cc(C[N@H+](C)C2CC([NH3+])C2)on1 306996826 345741617 /nfs/dbraw/zinc/74/16/17/345741617.db2.gz UECYXHXTAFIWBI-UHFFFAOYSA-N 2 2 195.266 0.905 20 0 ACADLP FCC[NH2+][C@@H]1[C@H]2C[C@@H]3C[NH2+][C@@H]1[C@H]3C2 307024691 345760927 /nfs/dbraw/zinc/76/09/27/345760927.db2.gz WMBZAJSTVCHPJO-SQXHDICFSA-N 2 2 184.258 0.542 20 0 ACADLP FCC[NH2+][C@@H]1[C@@H]2C[C@@H]3[C@@H]1[NH2+]C[C@@H]3C2 307024692 345761139 /nfs/dbraw/zinc/76/11/39/345761139.db2.gz WMBZAJSTVCHPJO-WLRJLXCNSA-N 2 2 184.258 0.542 20 0 ACADLP FCC[NH2+][C@@H]1[C@@H]2C[C@H]3[C@H](C[NH2+][C@H]31)C2 307024690 345761242 /nfs/dbraw/zinc/76/12/42/345761242.db2.gz WMBZAJSTVCHPJO-RXKWGBCNSA-N 2 2 184.258 0.542 20 0 ACADLP [NH3+]CC[N@@H+]1CCC[C@@H](c2cc[nH]n2)C1 307060024 345785561 /nfs/dbraw/zinc/78/55/61/345785561.db2.gz NDFKSWRGRXABPA-SECBINFHSA-N 2 2 194.282 0.548 20 0 ACADLP [NH3+]CC[N@H+]1CCC[C@@H](c2cc[nH]n2)C1 307060024 345785565 /nfs/dbraw/zinc/78/55/65/345785565.db2.gz NDFKSWRGRXABPA-SECBINFHSA-N 2 2 194.282 0.548 20 0 ACADLP [NH3+]CC[N@H+]1CCC[C@H](c2cc[nH]n2)C1 307060025 345785616 /nfs/dbraw/zinc/78/56/16/345785616.db2.gz NDFKSWRGRXABPA-VIFPVBQESA-N 2 2 194.282 0.548 20 0 ACADLP [NH3+]CC[N@@H+]1CCC[C@H](c2cc[nH]n2)C1 307060025 345785613 /nfs/dbraw/zinc/78/56/13/345785613.db2.gz NDFKSWRGRXABPA-VIFPVBQESA-N 2 2 194.282 0.548 20 0 ACADLP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1ccon1 307135017 345829894 /nfs/dbraw/zinc/82/98/94/345829894.db2.gz PLSBOOZHIGWCQK-IUCAKERBSA-N 2 2 195.266 0.844 20 0 ACADLP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1ccon1 307135017 345829897 /nfs/dbraw/zinc/82/98/97/345829897.db2.gz PLSBOOZHIGWCQK-IUCAKERBSA-N 2 2 195.266 0.844 20 0 ACADLP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1ccon1 307135016 345830376 /nfs/dbraw/zinc/83/03/76/345830376.db2.gz PLSBOOZHIGWCQK-DTWKUNHWSA-N 2 2 195.266 0.844 20 0 ACADLP C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1ccon1 307135016 345830378 /nfs/dbraw/zinc/83/03/78/345830378.db2.gz PLSBOOZHIGWCQK-DTWKUNHWSA-N 2 2 195.266 0.844 20 0 ACADLP Cc1cc(NC(=O)[C@H]2CC[NH2+]2)cc[nH+]1 307158929 345851060 /nfs/dbraw/zinc/85/10/60/345851060.db2.gz TZENLHSCFQXVQO-SECBINFHSA-N 2 2 191.234 0.690 20 0 ACADLP C[C@]1(C[NH3+])CC[N@H+](Cc2cc[nH]n2)C1 307170268 345862728 /nfs/dbraw/zinc/86/27/28/345862728.db2.gz ARMHQAKAPBOINE-SNVBAGLBSA-N 2 2 194.282 0.580 20 0 ACADLP C[C@]1(C[NH3+])CC[N@@H+](Cc2cc[nH]n2)C1 307170268 345862730 /nfs/dbraw/zinc/86/27/30/345862730.db2.gz ARMHQAKAPBOINE-SNVBAGLBSA-N 2 2 194.282 0.580 20 0 ACADLP C[C@H]([NH3+])[C@H]1CC[N@H+](Cc2cc[nH]n2)C1 307195763 345881359 /nfs/dbraw/zinc/88/13/59/345881359.db2.gz RWMXBMAWYKXPBG-IUCAKERBSA-N 2 2 194.282 0.579 20 0 ACADLP 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C[C@H]1C[N@@H+](Cc2cc[nH]n2)CC[C@@H]1[NH3+] 307204783 345889176 /nfs/dbraw/zinc/88/91/76/345889176.db2.gz GEILZHSQUAVQFP-WPRPVWTQSA-N 2 2 194.282 0.579 20 0 ACADLP C[C@H]([NH3+])C(=O)Nc1cc[nH+]cc1O 307206592 345890612 /nfs/dbraw/zinc/89/06/12/345890612.db2.gz LGOUGSWTWMEXFK-YFKPBYRVSA-N 2 2 181.195 0.073 20 0 ACADLP C[C@]1(C[N@@H+]2CC[C@H](C[NH3+])C2)CC[NH2+]C1 307211287 345893912 /nfs/dbraw/zinc/89/39/12/345893912.db2.gz SRJWYQZEVQPOKO-MNOVXSKESA-N 3 2 197.326 0.267 20 0 ACADLP C[C@]1(C[N@H+]2CC[C@H](C[NH3+])C2)CC[NH2+]C1 307211287 345893915 /nfs/dbraw/zinc/89/39/15/345893915.db2.gz SRJWYQZEVQPOKO-MNOVXSKESA-N 3 2 197.326 0.267 20 0 ACADLP C[C@H]([NH3+])[C@H]1CC[N@H+](Cc2ccon2)C1 307224055 345902284 /nfs/dbraw/zinc/90/22/84/345902284.db2.gz RYOHGWNWUYVLET-IUCAKERBSA-N 2 2 195.266 0.844 20 0 ACADLP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2ccon2)C1 307224055 345902286 /nfs/dbraw/zinc/90/22/86/345902286.db2.gz RYOHGWNWUYVLET-IUCAKERBSA-N 2 2 195.266 0.844 20 0 ACADLP 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307633119 346159574 /nfs/dbraw/zinc/15/95/74/346159574.db2.gz QTAPXCUVLIWGGO-IUCAKERBSA-N 3 2 185.315 0.393 20 0 ACADLP CC1(C)C[N@H+](CC[NH3+])[C@@H]2COC[C@@H]21 307634967 346160357 /nfs/dbraw/zinc/16/03/57/346160357.db2.gz QTUFBDWRNSTTFO-DTWKUNHWSA-N 2 2 184.283 0.302 20 0 ACADLP CC1(C)C[N@@H+](CC[NH3+])[C@@H]2COC[C@@H]21 307634967 346160358 /nfs/dbraw/zinc/16/03/58/346160358.db2.gz QTUFBDWRNSTTFO-DTWKUNHWSA-N 2 2 184.283 0.302 20 0 ACADLP C[C@]1(C[NH3+])CC[N@H+](Cc2ccno2)C1 307676671 346177349 /nfs/dbraw/zinc/17/73/49/346177349.db2.gz JCZGGDQRFGLXHM-SNVBAGLBSA-N 2 2 195.266 0.845 20 0 ACADLP C[C@]1(C[NH3+])CC[N@@H+](Cc2ccno2)C1 307676671 346177351 /nfs/dbraw/zinc/17/73/51/346177351.db2.gz JCZGGDQRFGLXHM-SNVBAGLBSA-N 2 2 195.266 0.845 20 0 ACADLP C[C@H]([NH3+])C[N@@H+]1CC[C@@](C)(C[NH3+])C1 307686539 346183356 /nfs/dbraw/zinc/18/33/56/346183356.db2.gz CXSAHWSHIXAQJV-IUCAKERBSA-N 3 2 171.288 0.004 20 0 ACADLP C[C@H]([NH3+])C[N@H+]1CC[C@@](C)(C[NH3+])C1 307686539 346183358 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COC[C@@]12CCC[C@H]1C[N@@H+](CC[NH3+])C2 409434912 346698573 /nfs/dbraw/zinc/69/85/73/346698573.db2.gz RGDWVWJUTTVRAE-QWRGUYRKSA-N 2 2 198.310 0.694 20 0 ACADLP CC(C)OC(=O)CC[N@H+](C)CC[NH3+] 591449886 346816255 /nfs/dbraw/zinc/81/62/55/346816255.db2.gz RRBFGPNNZIATRW-UHFFFAOYSA-N 2 2 188.271 0.219 20 0 ACADLP CC(C)OC(=O)CC[N@@H+](C)CC[NH3+] 591449886 346816257 /nfs/dbraw/zinc/81/62/57/346816257.db2.gz RRBFGPNNZIATRW-UHFFFAOYSA-N 2 2 188.271 0.219 20 0 ACADLP CCOC(=O)CC[N@H+](CC)CC[NH3+] 600717989 346915758 /nfs/dbraw/zinc/91/57/58/346915758.db2.gz DSWFKSZMHCMXPA-UHFFFAOYSA-N 2 2 188.271 0.220 20 0 ACADLP CCOC(=O)CC[N@@H+](CC)CC[NH3+] 600717989 346915760 /nfs/dbraw/zinc/91/57/60/346915760.db2.gz DSWFKSZMHCMXPA-UHFFFAOYSA-N 2 2 188.271 0.220 20 0 ACADLP OCC[NH+]1CCC(n2cc[nH+]c2)CC1 616619385 347125129 /nfs/dbraw/zinc/12/51/29/347125129.db2.gz ISBOJJCZXGCAAG-UHFFFAOYSA-N 2 2 195.266 0.512 20 0 ACADLP OCC[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 616618500 347125449 /nfs/dbraw/zinc/12/54/49/347125449.db2.gz XRKHXZYBRQJHBS-JTQLQIEISA-N 2 2 195.266 0.512 20 0 ACADLP OCC[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 616618500 347125450 /nfs/dbraw/zinc/12/54/50/347125450.db2.gz XRKHXZYBRQJHBS-JTQLQIEISA-N 2 2 195.266 0.512 20 0 ACADLP OCC[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 616621754 347127279 /nfs/dbraw/zinc/12/72/79/347127279.db2.gz XRKHXZYBRQJHBS-SNVBAGLBSA-N 2 2 195.266 0.512 20 0 ACADLP Cc1[nH]c(C(=O)NCC[C@H](C)[NH3+])c[nH+]1 621703826 347230720 /nfs/dbraw/zinc/23/07/20/347230720.db2.gz QYILGKGINGMSGH-LURJTMIESA-N 2 2 196.254 0.185 20 0 ACADLP C[NH2+]CCC[N@@H+]1C[C@@H]2CCC[C@@]2([NH3+])C1 621782934 347233045 /nfs/dbraw/zinc/23/30/45/347233045.db2.gz UZOPDFFVTJRLQP-WDEREUQCSA-N 3 2 197.326 0.409 20 0 ACADLP C[NH2+]CCC[N@H+]1C[C@@H]2CCC[C@@]2([NH3+])C1 621782934 347233048 /nfs/dbraw/zinc/23/30/48/347233048.db2.gz UZOPDFFVTJRLQP-WDEREUQCSA-N 3 2 197.326 0.409 20 0 ACADLP C[NH2+]CCC[N@@H+]1C[C@@H]2CCC[C@]2([NH3+])C1 621782933 347233190 /nfs/dbraw/zinc/23/31/90/347233190.db2.gz UZOPDFFVTJRLQP-QWRGUYRKSA-N 3 2 197.326 0.409 20 0 ACADLP C[NH2+]CCC[N@H+]1C[C@@H]2CCC[C@]2([NH3+])C1 621782933 347233193 /nfs/dbraw/zinc/23/31/93/347233193.db2.gz UZOPDFFVTJRLQP-QWRGUYRKSA-N 3 2 197.326 0.409 20 0 ACADLP C[NH2+]CCC[N@@H+]1C[C@H]2CCC[C@@]2([NH3+])C1 621782931 347233247 /nfs/dbraw/zinc/23/32/47/347233247.db2.gz UZOPDFFVTJRLQP-GHMZBOCLSA-N 3 2 197.326 0.409 20 0 ACADLP C[NH2+]CCC[N@H+]1C[C@H]2CCC[C@@]2([NH3+])C1 621782931 347233251 /nfs/dbraw/zinc/23/32/51/347233251.db2.gz UZOPDFFVTJRLQP-GHMZBOCLSA-N 3 2 197.326 0.409 20 0 ACADLP CCn1cc(CC[N@H+](C)CC[NH3+])cn1 621776550 347233367 /nfs/dbraw/zinc/23/33/67/347233367.db2.gz OIMRMYGIOWSYKX-UHFFFAOYSA-N 2 2 196.298 0.336 20 0 ACADLP CCn1cc(CC[N@@H+](C)CC[NH3+])cn1 621776550 347233370 /nfs/dbraw/zinc/23/33/70/347233370.db2.gz OIMRMYGIOWSYKX-UHFFFAOYSA-N 2 2 196.298 0.336 20 0 ACADLP C[NH2+]CCC[N@@H+]1C[C@H]2CCC[C@]2([NH3+])C1 621782932 347233496 /nfs/dbraw/zinc/23/34/96/347233496.db2.gz UZOPDFFVTJRLQP-MNOVXSKESA-N 3 2 197.326 0.409 20 0 ACADLP C[NH2+]CCC[N@H+]1C[C@H]2CCC[C@]2([NH3+])C1 621782932 347233500 /nfs/dbraw/zinc/23/35/00/347233500.db2.gz UZOPDFFVTJRLQP-MNOVXSKESA-N 3 2 197.326 0.409 20 0 ACADLP [NH3+]CCC[N@@H+]1C[C@H]2CCC[C@@]2([NH3+])C1 621784669 347234441 /nfs/dbraw/zinc/23/44/41/347234441.db2.gz SPTDKPYQWHXCMO-NXEZZACHSA-N 3 2 183.299 0.148 20 0 ACADLP [NH3+]CCC[N@@H+]1C[C@@H]2CCC[C@@]2([NH3+])C1 621784671 347234450 /nfs/dbraw/zinc/23/44/50/347234450.db2.gz SPTDKPYQWHXCMO-VHSXEESVSA-N 3 2 183.299 0.148 20 0 ACADLP [NH3+]CCC[N@H+]1C[C@@H]2CCC[C@@]2([NH3+])C1 621784671 347234451 /nfs/dbraw/zinc/23/44/51/347234451.db2.gz SPTDKPYQWHXCMO-VHSXEESVSA-N 3 2 183.299 0.148 20 0 ACADLP [NH3+]CCC[N@@H+]1C[C@@H]2CCC[C@]2([NH3+])C1 621784670 347234675 /nfs/dbraw/zinc/23/46/75/347234675.db2.gz SPTDKPYQWHXCMO-UWVGGRQHSA-N 3 2 183.299 0.148 20 0 ACADLP [NH3+]CCC[N@H+]1C[C@@H]2CCC[C@]2([NH3+])C1 621784670 347234676 /nfs/dbraw/zinc/23/46/76/347234676.db2.gz SPTDKPYQWHXCMO-UWVGGRQHSA-N 3 2 183.299 0.148 20 0 ACADLP [NH3+]CCC[N@@H+]1C[C@H]2CCC[C@]2([NH3+])C1 621784672 347234778 /nfs/dbraw/zinc/23/47/78/347234778.db2.gz SPTDKPYQWHXCMO-ZJUUUORDSA-N 3 2 183.299 0.148 20 0 ACADLP [NH3+]CCC[N@H+]1C[C@H]2CCC[C@]2([NH3+])C1 621784672 347234781 /nfs/dbraw/zinc/23/47/81/347234781.db2.gz SPTDKPYQWHXCMO-ZJUUUORDSA-N 3 2 183.299 0.148 20 0 ACADLP C[C@H]([NH3+])CC[NH2+][C@H](C)[C@H]1CCCC[NH2+]1 622044332 347235650 /nfs/dbraw/zinc/23/56/50/347235650.db2.gz AWZKJKUJOWZQJG-HBNTYKKESA-N 3 2 199.342 0.844 20 0 ACADLP C[C@H]([NH3+])CC[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1 622044331 347235715 /nfs/dbraw/zinc/23/57/15/347235715.db2.gz AWZKJKUJOWZQJG-GARJFASQSA-N 3 2 199.342 0.844 20 0 ACADLP C[C@H]([NH3+])CC[NH2+][C@H](C)[C@@H]1CCCC[NH2+]1 622044329 347235790 /nfs/dbraw/zinc/23/57/90/347235790.db2.gz AWZKJKUJOWZQJG-AXFHLTTASA-N 3 2 199.342 0.844 20 0 ACADLP C[C@H]([NH3+])CC[NH2+][C@H]1CCC[C@@H]1[NH3+] 622044605 347236460 /nfs/dbraw/zinc/23/64/60/347236460.db2.gz MGXADKJGWSTVAV-CIUDSAMLSA-N 3 2 171.288 0.193 20 0 ACADLP C[C@H]([NH3+])CC[NH2+][C@@H]1CCC[C@@H]1[NH3+] 622044607 347236415 /nfs/dbraw/zinc/23/64/15/347236415.db2.gz MGXADKJGWSTVAV-XHNCKOQMSA-N 3 2 171.288 0.193 20 0 ACADLP CC[C@@H]([NH2+]CC[C@H](C)[NH3+])[C@@H]1CCC[NH2+]1 622044637 347236528 /nfs/dbraw/zinc/23/65/28/347236528.db2.gz NMQPRTAGHFADNK-AXFHLTTASA-N 3 2 199.342 0.844 20 0 ACADLP C[C@H]([NH3+])CC[NH2+][C@H]1CCCCC[C@@H]1[NH3+] 622044689 347236581 /nfs/dbraw/zinc/23/65/81/347236581.db2.gz PNQCLQGTBDKRNV-DCAQKATOSA-N 3 2 199.342 0.973 20 0 ACADLP C[C@H]([NH3+])CC[NH2+][C@H]1CCC[C@H]1[NH3+] 622044608 347236595 /nfs/dbraw/zinc/23/65/95/347236595.db2.gz MGXADKJGWSTVAV-YIZRAAEISA-N 3 2 171.288 0.193 20 0 ACADLP C[C@H]([NH3+])CC[NH2+][C@H]1CCCCC[C@H]1[NH3+] 622044688 347236623 /nfs/dbraw/zinc/23/66/23/347236623.db2.gz PNQCLQGTBDKRNV-AXFHLTTASA-N 3 2 199.342 0.973 20 0 ACADLP C[C@H]([NH3+])CC[NH2+][C@@H]1CCCCC[C@@H]1[NH3+] 622044690 347236625 /nfs/dbraw/zinc/23/66/25/347236625.db2.gz PNQCLQGTBDKRNV-GARJFASQSA-N 3 2 199.342 0.973 20 0 ACADLP C[C@H]([NH3+])CC[NH2+][C@@H]1CCC[C@H]1[NH3+] 622044606 347236685 /nfs/dbraw/zinc/23/66/85/347236685.db2.gz MGXADKJGWSTVAV-DJLDLDEBSA-N 3 2 171.288 0.193 20 0 ACADLP CC[C@H]([NH2+]CC[C@H](C)[NH3+])[C@@H]1CCC[NH2+]1 622044638 347236691 /nfs/dbraw/zinc/23/66/91/347236691.db2.gz NMQPRTAGHFADNK-DCAQKATOSA-N 3 2 199.342 0.844 20 0 ACADLP C[C@H]([NH3+])CC[NH2+][C@H](C)[C@H]1CCC[NH2+]1 622044964 347237271 /nfs/dbraw/zinc/23/72/71/347237271.db2.gz YUVUNHNEBLXCFW-IVZWLZJFSA-N 3 2 185.315 0.454 20 0 ACADLP C[C@H]([NH3+])CC[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 622044965 347237277 /nfs/dbraw/zinc/23/72/77/347237277.db2.gz YUVUNHNEBLXCFW-LPEHRKFASA-N 3 2 185.315 0.454 20 0 ACADLP C[C@H]([NH3+])CC[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 622044962 347237374 /nfs/dbraw/zinc/23/73/74/347237374.db2.gz YUVUNHNEBLXCFW-AEJSXWLSSA-N 3 2 185.315 0.454 20 0 ACADLP C[C@H]([NH3+])CC[NH2+][C@@H]1CCCCC[C@H]1[NH3+] 622044691 347237612 /nfs/dbraw/zinc/23/76/12/347237612.db2.gz PNQCLQGTBDKRNV-HBNTYKKESA-N 3 2 199.342 0.973 20 0 ACADLP C[C@H]([NH3+])CC[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 622044963 347237713 /nfs/dbraw/zinc/23/77/13/347237713.db2.gz YUVUNHNEBLXCFW-GUBZILKMSA-N 3 2 185.315 0.454 20 0 ACADLP CC[NH+]1CCC([NH2+]CC[C@H](C)[NH3+])CC1 622045682 347239204 /nfs/dbraw/zinc/23/92/04/347239204.db2.gz ODGLLJIDIZROCV-JTQLQIEISA-N 3 2 199.342 0.798 20 0 ACADLP C[C@H]([NH3+])CC[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 622045745 347239089 /nfs/dbraw/zinc/23/90/89/347239089.db2.gz ULNODCGVGMKPRH-AXFHLTTASA-N 3 2 199.342 0.796 20 0 ACADLP C[C@H]([NH3+])CC[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 622045745 347239093 /nfs/dbraw/zinc/23/90/93/347239093.db2.gz ULNODCGVGMKPRH-AXFHLTTASA-N 3 2 199.342 0.796 20 0 ACADLP C[C@H]([NH3+])CC[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 622045746 347239379 /nfs/dbraw/zinc/23/93/79/347239379.db2.gz ULNODCGVGMKPRH-DCAQKATOSA-N 3 2 199.342 0.796 20 0 ACADLP C[C@H]([NH3+])CC[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 622045746 347239382 /nfs/dbraw/zinc/23/93/82/347239382.db2.gz ULNODCGVGMKPRH-DCAQKATOSA-N 3 2 199.342 0.796 20 0 ACADLP C[C@H]([NH3+])CC[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 622045748 347239432 /nfs/dbraw/zinc/23/94/32/347239432.db2.gz ULNODCGVGMKPRH-HBNTYKKESA-N 3 2 199.342 0.796 20 0 ACADLP C[C@H]([NH3+])CC[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 622045748 347239434 /nfs/dbraw/zinc/23/94/34/347239434.db2.gz ULNODCGVGMKPRH-HBNTYKKESA-N 3 2 199.342 0.796 20 0 ACADLP C[C@H]([NH3+])CC[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 622045747 347239443 /nfs/dbraw/zinc/23/94/43/347239443.db2.gz ULNODCGVGMKPRH-GARJFASQSA-N 3 2 199.342 0.796 20 0 ACADLP C[C@H]([NH3+])CC[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 622045747 347239445 /nfs/dbraw/zinc/23/94/45/347239445.db2.gz ULNODCGVGMKPRH-GARJFASQSA-N 3 2 199.342 0.796 20 0 ACADLP C[C@H]1C[C@H]([NH2+]C[C@H]2CCC[N@@H+]2C)CO1 623635021 347259378 /nfs/dbraw/zinc/25/93/78/347259378.db2.gz ORSWNQNFEHJPKF-GARJFASQSA-N 2 2 198.310 0.848 20 0 ACADLP C[C@H]1C[C@H]([NH2+]C[C@H]2CCC[N@H+]2C)CO1 623635021 347259383 /nfs/dbraw/zinc/25/93/83/347259383.db2.gz ORSWNQNFEHJPKF-GARJFASQSA-N 2 2 198.310 0.848 20 0 ACADLP C[C@H]1OCC[C@H]1[NH2+]C[C@H]1CCC[N@@H+]1C 623634656 347259566 /nfs/dbraw/zinc/25/95/66/347259566.db2.gz PLAGHJSZAVDQHZ-GMTAPVOTSA-N 2 2 198.310 0.848 20 0 ACADLP C[C@H]1OCC[C@H]1[NH2+]C[C@H]1CCC[N@H+]1C 623634656 347259567 /nfs/dbraw/zinc/25/95/67/347259567.db2.gz PLAGHJSZAVDQHZ-GMTAPVOTSA-N 2 2 198.310 0.848 20 0 ACADLP C[C@H]1C[C@@H]([NH2+]C[C@H]2CCC[N@@H+]2C)CO1 623635022 347259642 /nfs/dbraw/zinc/25/96/42/347259642.db2.gz ORSWNQNFEHJPKF-HBNTYKKESA-N 2 2 198.310 0.848 20 0 ACADLP C[C@H]1C[C@@H]([NH2+]C[C@H]2CCC[N@H+]2C)CO1 623635022 347259644 /nfs/dbraw/zinc/25/96/44/347259644.db2.gz ORSWNQNFEHJPKF-HBNTYKKESA-N 2 2 198.310 0.848 20 0 ACADLP C[C@H]1OCC[C@@H]1[NH2+]C[C@H]1CCC[N@@H+]1C 623634657 347259683 /nfs/dbraw/zinc/25/96/83/347259683.db2.gz PLAGHJSZAVDQHZ-MXWKQRLJSA-N 2 2 198.310 0.848 20 0 ACADLP C[C@H]1OCC[C@@H]1[NH2+]C[C@H]1CCC[N@H+]1C 623634657 347259685 /nfs/dbraw/zinc/25/96/85/347259685.db2.gz PLAGHJSZAVDQHZ-MXWKQRLJSA-N 2 2 198.310 0.848 20 0 ACADLP O[C@@H]1CC[N@H+](CC[NH2+]CC2CC2)C1 623758063 347263300 /nfs/dbraw/zinc/26/33/00/347263300.db2.gz NVLQTFCKXWJXTN-SNVBAGLBSA-N 2 2 184.283 0.053 20 0 ACADLP O[C@@H]1CC[N@@H+](CC[NH2+]CC2CC2)C1 623758063 347263303 /nfs/dbraw/zinc/26/33/03/347263303.db2.gz NVLQTFCKXWJXTN-SNVBAGLBSA-N 2 2 184.283 0.053 20 0 ACADLP CC(C)C[NH2+]CC[N@@H+]1CC[C@@H](O)C1 623756781 347263575 /nfs/dbraw/zinc/26/35/75/347263575.db2.gz FQYXYLZYUOHBFU-SNVBAGLBSA-N 2 2 186.299 0.299 20 0 ACADLP CC(C)C[NH2+]CC[N@H+]1CC[C@@H](O)C1 623756781 347263579 /nfs/dbraw/zinc/26/35/79/347263579.db2.gz FQYXYLZYUOHBFU-SNVBAGLBSA-N 2 2 186.299 0.299 20 0 ACADLP CC(C)C[NH2+]CC[N@@H+]1CC[C@H](O)C1 623835967 347266695 /nfs/dbraw/zinc/26/66/95/347266695.db2.gz FQYXYLZYUOHBFU-JTQLQIEISA-N 2 2 186.299 0.299 20 0 ACADLP CC(C)C[NH2+]CC[N@H+]1CC[C@H](O)C1 623835967 347266699 /nfs/dbraw/zinc/26/66/99/347266699.db2.gz FQYXYLZYUOHBFU-JTQLQIEISA-N 2 2 186.299 0.299 20 0 ACADLP O[C@H]1CC[N@H+](CC[NH2+]CC2CC2)C1 623836894 347266903 /nfs/dbraw/zinc/26/69/03/347266903.db2.gz NVLQTFCKXWJXTN-JTQLQIEISA-N 2 2 184.283 0.053 20 0 ACADLP O[C@H]1CC[N@@H+](CC[NH2+]CC2CC2)C1 623836894 347266906 /nfs/dbraw/zinc/26/69/06/347266906.db2.gz NVLQTFCKXWJXTN-JTQLQIEISA-N 2 2 184.283 0.053 20 0 ACADLP CC1CC([NH2+]CC[N@@H+]2CC[C@@H](O)C2)C1 624229927 347274766 /nfs/dbraw/zinc/27/47/66/347274766.db2.gz HTCAWYLKONMNFB-VQXHTEKXSA-N 2 2 198.310 0.441 20 0 ACADLP CC1CC([NH2+]CC[N@H+]2CC[C@@H](O)C2)C1 624229927 347274769 /nfs/dbraw/zinc/27/47/69/347274769.db2.gz HTCAWYLKONMNFB-VQXHTEKXSA-N 2 2 198.310 0.441 20 0 ACADLP CC1CC([NH2+]CC[N@@H+]2CC[C@H](O)C2)C1 624337307 347277866 /nfs/dbraw/zinc/27/78/66/347277866.db2.gz HTCAWYLKONMNFB-ILDUYXDCSA-N 2 2 198.310 0.441 20 0 ACADLP CC1CC([NH2+]CC[N@H+]2CC[C@H](O)C2)C1 624337307 347277867 /nfs/dbraw/zinc/27/78/67/347277867.db2.gz HTCAWYLKONMNFB-ILDUYXDCSA-N 2 2 198.310 0.441 20 0 ACADLP Cc1c[nH]c(CN(C)CC[NH+](C)C)[nH+]1 628277279 347313579 /nfs/dbraw/zinc/31/35/79/347313579.db2.gz LSWJMQCGWUJUPR-UHFFFAOYSA-N 2 2 196.298 0.712 20 0 ACADLP C[C@@H]1C[C@H]1C[NH2+]CC[N@@H+]1CC[C@@H](O)C1 628464630 347318960 /nfs/dbraw/zinc/31/89/60/347318960.db2.gz CWUGUFJPGBSAQP-OUAUKWLOSA-N 2 2 198.310 0.299 20 0 ACADLP C[C@@H]1C[C@H]1C[NH2+]CC[N@H+]1CC[C@@H](O)C1 628464630 347318963 /nfs/dbraw/zinc/31/89/63/347318963.db2.gz CWUGUFJPGBSAQP-OUAUKWLOSA-N 2 2 198.310 0.299 20 0 ACADLP C[C@@H]1C[C@@H]1C[NH2+]CC[N@@H+]1CC[C@@H](O)C1 628464628 347318983 /nfs/dbraw/zinc/31/89/83/347318983.db2.gz CWUGUFJPGBSAQP-GMTAPVOTSA-N 2 2 198.310 0.299 20 0 ACADLP C[C@@H]1C[C@@H]1C[NH2+]CC[N@H+]1CC[C@@H](O)C1 628464628 347318985 /nfs/dbraw/zinc/31/89/85/347318985.db2.gz CWUGUFJPGBSAQP-GMTAPVOTSA-N 2 2 198.310 0.299 20 0 ACADLP C[C@H]1C[C@@H]1C[NH2+]CC[N@@H+]1CC[C@@H](O)C1 628464629 347319011 /nfs/dbraw/zinc/31/90/11/347319011.db2.gz CWUGUFJPGBSAQP-HBNTYKKESA-N 2 2 198.310 0.299 20 0 ACADLP C[C@H]1C[C@@H]1C[NH2+]CC[N@H+]1CC[C@@H](O)C1 628464629 347319013 /nfs/dbraw/zinc/31/90/13/347319013.db2.gz CWUGUFJPGBSAQP-HBNTYKKESA-N 2 2 198.310 0.299 20 0 ACADLP C[C@H]1C[C@H]1C[NH2+]CC[N@@H+]1CC[C@@H](O)C1 628464627 347319031 /nfs/dbraw/zinc/31/90/31/347319031.db2.gz CWUGUFJPGBSAQP-GARJFASQSA-N 2 2 198.310 0.299 20 0 ACADLP C[C@H]1C[C@H]1C[NH2+]CC[N@H+]1CC[C@@H](O)C1 628464627 347319033 /nfs/dbraw/zinc/31/90/33/347319033.db2.gz CWUGUFJPGBSAQP-GARJFASQSA-N 2 2 198.310 0.299 20 0 ACADLP C[C@H]1C[C@H]1C[NH2+]CC[N@@H+]1CC[C@H](O)C1 628498022 347319313 /nfs/dbraw/zinc/31/93/13/347319313.db2.gz CWUGUFJPGBSAQP-DCAQKATOSA-N 2 2 198.310 0.299 20 0 ACADLP C[C@H]1C[C@H]1C[NH2+]CC[N@H+]1CC[C@H](O)C1 628498022 347319317 /nfs/dbraw/zinc/31/93/17/347319317.db2.gz CWUGUFJPGBSAQP-DCAQKATOSA-N 2 2 198.310 0.299 20 0 ACADLP C[C@H]1C[C@@H]1C[NH2+]CC[N@@H+]1CC[C@H](O)C1 628498021 347319403 /nfs/dbraw/zinc/31/94/03/347319403.db2.gz CWUGUFJPGBSAQP-AXFHLTTASA-N 2 2 198.310 0.299 20 0 ACADLP C[C@H]1C[C@@H]1C[NH2+]CC[N@H+]1CC[C@H](O)C1 628498021 347319405 /nfs/dbraw/zinc/31/94/05/347319405.db2.gz CWUGUFJPGBSAQP-AXFHLTTASA-N 2 2 198.310 0.299 20 0 ACADLP C[C@@H]1C[C@@H]1C[NH2+]CC[N@@H+]1CC[C@H](O)C1 628498023 347319545 /nfs/dbraw/zinc/31/95/45/347319545.db2.gz CWUGUFJPGBSAQP-MXWKQRLJSA-N 2 2 198.310 0.299 20 0 ACADLP C[C@@H]1C[C@@H]1C[NH2+]CC[N@H+]1CC[C@H](O)C1 628498023 347319548 /nfs/dbraw/zinc/31/95/48/347319548.db2.gz CWUGUFJPGBSAQP-MXWKQRLJSA-N 2 2 198.310 0.299 20 0 ACADLP C[C@@H]1C[C@H]1C[NH2+]CC[N@@H+]1CC[C@H](O)C1 628498024 347319600 /nfs/dbraw/zinc/31/96/00/347319600.db2.gz CWUGUFJPGBSAQP-VWYCJHECSA-N 2 2 198.310 0.299 20 0 ACADLP C[C@@H]1C[C@H]1C[NH2+]CC[N@H+]1CC[C@H](O)C1 628498024 347319602 /nfs/dbraw/zinc/31/96/02/347319602.db2.gz CWUGUFJPGBSAQP-VWYCJHECSA-N 2 2 198.310 0.299 20 0 ACADLP C[N@H+](CCC[NH3+])Cc1cccnc1N 629514623 347344914 /nfs/dbraw/zinc/34/49/14/347344914.db2.gz MHIVRGBSYCFVTK-UHFFFAOYSA-N 2 2 194.282 0.444 20 0 ACADLP C[N@@H+](CCC[NH3+])Cc1cccnc1N 629514623 347344919 /nfs/dbraw/zinc/34/49/19/347344919.db2.gz MHIVRGBSYCFVTK-UHFFFAOYSA-N 2 2 194.282 0.444 20 0 ACADLP C[C@H]([NH2+][C@@H]1CC[NH2+][C@H]1C)c1cn[nH]c1 629544294 347347047 /nfs/dbraw/zinc/34/70/47/347347047.db2.gz HKGKTWRGDRSSIA-OYNCUSHFSA-N 2 2 194.282 0.811 20 0 ACADLP C[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H](C)c1cn[nH]c1 629544292 347347058 /nfs/dbraw/zinc/34/70/58/347347058.db2.gz HKGKTWRGDRSSIA-KHQFGBGNSA-N 2 2 194.282 0.811 20 0 ACADLP [NH3+][C@@H]1CCC[C@H]([NH2+][C@@H]2CC[NH2+]C2)C1 629554478 347349551 /nfs/dbraw/zinc/34/95/51/347349551.db2.gz JPCUPWBLEBPISH-KXUCPTDWSA-N 3 2 183.299 0.208 20 0 ACADLP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H]1CC[NH2+]C1 629554975 347349625 /nfs/dbraw/zinc/34/96/25/347349625.db2.gz PCEJOPWPMYDXLK-XHNCKOQMSA-N 3 2 171.288 0.064 20 0 ACADLP C[C@@H](C[C@@H](C)[NH3+])[NH2+][C@@H]1CC[NH2+]C1 629554972 347349631 /nfs/dbraw/zinc/34/96/31/347349631.db2.gz PCEJOPWPMYDXLK-HRDYMLBCSA-N 3 2 171.288 0.064 20 0 ACADLP C[C@H]([NH3+])C[C@@H](C)[NH2+][C@@H]1CC[NH2+]C1 629554967 347349762 /nfs/dbraw/zinc/34/97/62/347349762.db2.gz PCEJOPWPMYDXLK-DJLDLDEBSA-N 3 2 171.288 0.064 20 0 ACADLP c1cn2c([nH+]1)[C@@H](N[C@@H]1CC[NH2+]C1)CC2 629554999 347349789 /nfs/dbraw/zinc/34/97/89/347349789.db2.gz PUCCQXVTJXWPPG-BDAKNGLRSA-N 2 2 192.266 0.279 20 0 ACADLP CO[C@H](C)[C@@H](C)[NH2+][C@@H]1CC[NH2+]C1 629553558 347349818 /nfs/dbraw/zinc/34/98/18/347349818.db2.gz ZKMVZVLHCQUIKQ-IWSPIJDZSA-N 2 2 172.272 0.361 20 0 ACADLP CO[C@H](C)[C@H](C)[NH2+][C@@H]1CC[NH2+]C1 629553556 347349849 /nfs/dbraw/zinc/34/98/49/347349849.db2.gz ZKMVZVLHCQUIKQ-DJLDLDEBSA-N 2 2 172.272 0.361 20 0 ACADLP CO[C@@H](C)[C@H](C)[NH2+][C@@H]1CC[NH2+]C1 629553559 347349855 /nfs/dbraw/zinc/34/98/55/347349855.db2.gz ZKMVZVLHCQUIKQ-XHNCKOQMSA-N 2 2 172.272 0.361 20 0 ACADLP C[C@H](N[C@@H]1CC[NH2+]C1)c1[nH+]ccn1C 629553366 347349860 /nfs/dbraw/zinc/34/98/60/347349860.db2.gz NNDGKLRGIQDTLH-DTWKUNHWSA-N 2 2 194.282 0.433 20 0 ACADLP C[C@@H]([NH3+])C[C@@H](C)[NH2+][C@@H]1CC[NH2+]C1 629554974 347349875 /nfs/dbraw/zinc/34/98/75/347349875.db2.gz PCEJOPWPMYDXLK-IWSPIJDZSA-N 3 2 171.288 0.064 20 0 ACADLP [NH3+][C@H]1CCC[C@@H]([NH2+][C@@H]2CC[NH2+]C2)C1 629554477 347349894 /nfs/dbraw/zinc/34/98/94/347349894.db2.gz JPCUPWBLEBPISH-IVZWLZJFSA-N 3 2 183.299 0.208 20 0 ACADLP CO[C@@H](C)[C@@H](C)[NH2+][C@@H]1CC[NH2+]C1 629553557 347349924 /nfs/dbraw/zinc/34/99/24/347349924.db2.gz ZKMVZVLHCQUIKQ-HRDYMLBCSA-N 2 2 172.272 0.361 20 0 ACADLP [NH3+][C@H]1CCC[C@H]([NH2+][C@@H]2CC[NH2+]C2)C1 629554479 347349968 /nfs/dbraw/zinc/34/99/68/347349968.db2.gz JPCUPWBLEBPISH-LPEHRKFASA-N 3 2 183.299 0.208 20 0 ACADLP [NH3+][C@@H]1CCC[C@@H]([NH2+][C@@H]2CC[NH2+]C2)C1 629554480 347350094 /nfs/dbraw/zinc/35/00/94/347350094.db2.gz JPCUPWBLEBPISH-OPRDCNLKSA-N 3 2 183.299 0.208 20 0 ACADLP c1cn2c([nH+]1)[C@H](N[C@@H]1CC[NH2+]C1)CC2 629555003 347350143 /nfs/dbraw/zinc/35/01/43/347350143.db2.gz PUCCQXVTJXWPPG-RKDXNWHRSA-N 2 2 192.266 0.279 20 0 ACADLP C[C@@H]1O[C@H](C)C[C@H]1[NH2+][C@@H]1CC[NH2+]C1 629555574 347350774 /nfs/dbraw/zinc/35/07/74/347350774.db2.gz XWZCEWYJRJTLGZ-UTINFBMNSA-N 2 2 184.283 0.504 20 0 ACADLP CC[N@H+](CC[NH3+])CCOCC1CC1 629557203 347350601 /nfs/dbraw/zinc/35/06/01/347350601.db2.gz YBYMXNORIMQYKF-UHFFFAOYSA-N 2 2 186.299 0.694 20 0 ACADLP CC[N@@H+](CC[NH3+])CCOCC1CC1 629557203 347350603 /nfs/dbraw/zinc/35/06/03/347350603.db2.gz YBYMXNORIMQYKF-UHFFFAOYSA-N 2 2 186.299 0.694 20 0 ACADLP CC[N@H+](CC[NH3+])CCOCC(F)F 629557920 347350837 /nfs/dbraw/zinc/35/08/37/347350837.db2.gz JSSCGSICRRXBBY-UHFFFAOYSA-N 2 2 196.241 0.549 20 0 ACADLP CC[N@@H+](CC[NH3+])CCOCC(F)F 629557920 347350840 /nfs/dbraw/zinc/35/08/40/347350840.db2.gz JSSCGSICRRXBBY-UHFFFAOYSA-N 2 2 196.241 0.549 20 0 ACADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CC[NH2+]C2)[C@@H](C)O1 629555575 347350920 /nfs/dbraw/zinc/35/09/20/347350920.db2.gz XWZCEWYJRJTLGZ-ZYUZMQFOSA-N 2 2 184.283 0.504 20 0 ACADLP C[NH2+]CC[NH2+]Cc1ccn(C)c1 629647714 347353012 /nfs/dbraw/zinc/35/30/12/347353012.db2.gz GINDJQUMWLNLJX-UHFFFAOYSA-N 2 2 167.256 0.334 20 0 ACADLP Cn1ccc(C[NH2+]C[C@H]2CCC[NH2+]2)c1 629648328 347353128 /nfs/dbraw/zinc/35/31/28/347353128.db2.gz SKIHGIVWCNMHEI-LLVKDONJSA-N 2 2 193.294 0.867 20 0 ACADLP CC[NH2+]CC[NH2+]Cc1ccn(C)c1 629647790 347353148 /nfs/dbraw/zinc/35/31/48/347353148.db2.gz JCEUEOBABBIGLA-UHFFFAOYSA-N 2 2 181.283 0.724 20 0 ACADLP Cn1ccc(C[NH2+][C@H]2CC[NH2+]C2)c1 629647675 347353205 /nfs/dbraw/zinc/35/32/05/347353205.db2.gz FBNLJKCHOHGHBM-JTQLQIEISA-N 2 2 179.267 0.477 20 0 ACADLP Cn1ccc(C[NH2+][C@@H]2CC[NH2+]C2)c1 629647694 347353221 /nfs/dbraw/zinc/35/32/21/347353221.db2.gz FBNLJKCHOHGHBM-SNVBAGLBSA-N 2 2 179.267 0.477 20 0 ACADLP C[NH2+]CC[NH2+]CC1(OC)CCCC1 629648530 347353279 /nfs/dbraw/zinc/35/32/79/347353279.db2.gz WCWOKEJAGHBWDM-UHFFFAOYSA-N 2 2 186.299 0.755 20 0 ACADLP Cn1ccc(C[NH2+][C@H]2CCC[NH2+]C2)c1 629647789 347353349 /nfs/dbraw/zinc/35/33/49/347353349.db2.gz JBZBNYVRGVXOHG-NSHDSACASA-N 2 2 193.294 0.867 20 0 ACADLP Cn1ccc(C[NH2+][C@@H]2CCC[NH2+]C2)c1 629647788 347353378 /nfs/dbraw/zinc/35/33/78/347353378.db2.gz JBZBNYVRGVXOHG-LLVKDONJSA-N 2 2 193.294 0.867 20 0 ACADLP CC[NH2+]CC[NH2+]CC1=CCCOC1 629648304 347353394 /nfs/dbraw/zinc/35/33/94/347353394.db2.gz RUFYADHLZBNJDW-UHFFFAOYSA-N 2 2 184.283 0.532 20 0 ACADLP C[NH2+]CC[NH2+]CC1=CCCOC1 629648554 347353450 /nfs/dbraw/zinc/35/34/50/347353450.db2.gz WWCQPXUKDXSCMX-UHFFFAOYSA-N 2 2 170.256 0.142 20 0 ACADLP CCC[NH2+]CC[NH2+]CC1=CCCOC1 629648390 347353459 /nfs/dbraw/zinc/35/34/59/347353459.db2.gz VAUUQUAZMRUKKQ-UHFFFAOYSA-N 2 2 198.310 0.922 20 0 ACADLP CC[NH2+][C@H](C)C[NH2+]CC1=CCCOC1 629649393 347353838 /nfs/dbraw/zinc/35/38/38/347353838.db2.gz SKMAYBQBPZQJOR-SNVBAGLBSA-N 2 2 198.310 0.921 20 0 ACADLP C[NH2+]C[C@H](C)[NH2+]Cc1ccn(C)c1 629649478 347353859 /nfs/dbraw/zinc/35/38/59/347353859.db2.gz CFNCAZRISXJTNC-VIFPVBQESA-N 2 2 181.283 0.723 20 0 ACADLP CC[N@H+](CC[NH3+])CC1=CCCOC1 629651003 347353872 /nfs/dbraw/zinc/35/38/72/347353872.db2.gz GDYIIZHLNGIQTO-UHFFFAOYSA-N 2 2 184.283 0.614 20 0 ACADLP CC[N@@H+](CC[NH3+])CC1=CCCOC1 629651003 347353874 /nfs/dbraw/zinc/35/38/74/347353874.db2.gz GDYIIZHLNGIQTO-UHFFFAOYSA-N 2 2 184.283 0.614 20 0 ACADLP C[NH2+]C[C@@H](C)[NH2+]CC1=CCCOC1 629649880 347353877 /nfs/dbraw/zinc/35/38/77/347353877.db2.gz JKPUGPLENLORNR-SECBINFHSA-N 2 2 184.283 0.531 20 0 ACADLP C[NH2+]C[C@@H](C)[NH2+]Cc1ccn(C)c1 629649477 347353906 /nfs/dbraw/zinc/35/39/06/347353906.db2.gz CFNCAZRISXJTNC-SECBINFHSA-N 2 2 181.283 0.723 20 0 ACADLP C[C@@H](C[NH3+])[N@H+](C)Cc1ccn(C)c1 629652297 347353928 /nfs/dbraw/zinc/35/39/28/347353928.db2.gz YXEPKMBLJWTUDS-VIFPVBQESA-N 2 2 181.283 0.804 20 0 ACADLP C[C@@H](C[NH3+])[N@@H+](C)Cc1ccn(C)c1 629652297 347353930 /nfs/dbraw/zinc/35/39/30/347353930.db2.gz YXEPKMBLJWTUDS-VIFPVBQESA-N 2 2 181.283 0.804 20 0 ACADLP C[N@H+](CC1=CCCOC1)[C@H]1CC[NH2+]C1 629651889 347353961 /nfs/dbraw/zinc/35/39/61/347353961.db2.gz NJSCYTFFOZTIGH-NSHDSACASA-N 2 2 196.294 0.627 20 0 ACADLP C[N@@H+](CC1=CCCOC1)[C@H]1CC[NH2+]C1 629651889 347353962 /nfs/dbraw/zinc/35/39/62/347353962.db2.gz NJSCYTFFOZTIGH-NSHDSACASA-N 2 2 196.294 0.627 20 0 ACADLP Cn1ccc(C[N@@H+]2CCC[C@H]([NH3+])C2)c1 629652056 347353985 /nfs/dbraw/zinc/35/39/85/347353985.db2.gz UQTPMVSGWTYKLU-NSHDSACASA-N 2 2 193.294 0.948 20 0 ACADLP Cn1ccc(C[N@H+]2CCC[C@H]([NH3+])C2)c1 629652056 347353986 /nfs/dbraw/zinc/35/39/86/347353986.db2.gz UQTPMVSGWTYKLU-NSHDSACASA-N 2 2 193.294 0.948 20 0 ACADLP C[N@@H+](CC1=CCCOC1)[C@@H]1CC[NH2+]C1 629651888 347353992 /nfs/dbraw/zinc/35/39/92/347353992.db2.gz NJSCYTFFOZTIGH-LLVKDONJSA-N 2 2 196.294 0.627 20 0 ACADLP C[C@H](C[NH3+])[N@H+](C)Cc1ccn(C)c1 629652296 347354002 /nfs/dbraw/zinc/35/40/02/347354002.db2.gz YXEPKMBLJWTUDS-SECBINFHSA-N 2 2 181.283 0.804 20 0 ACADLP C[C@H](C[NH3+])[N@@H+](C)Cc1ccn(C)c1 629652296 347354003 /nfs/dbraw/zinc/35/40/03/347354003.db2.gz YXEPKMBLJWTUDS-SECBINFHSA-N 2 2 181.283 0.804 20 0 ACADLP [NH3+][C@H]1CCC[N@H+](CC2=CCCOC2)C1 629652157 347354013 /nfs/dbraw/zinc/35/40/13/347354013.db2.gz XCJANRPHOONPED-NSHDSACASA-N 2 2 196.294 0.756 20 0 ACADLP [NH3+][C@H]1CCC[N@@H+](CC2=CCCOC2)C1 629652157 347354015 /nfs/dbraw/zinc/35/40/15/347354015.db2.gz XCJANRPHOONPED-NSHDSACASA-N 2 2 196.294 0.756 20 0 ACADLP Cn1ccc(C[N@@H+]2CCC[C@@H]([NH3+])C2)c1 629652055 347354024 /nfs/dbraw/zinc/35/40/24/347354024.db2.gz UQTPMVSGWTYKLU-LLVKDONJSA-N 2 2 193.294 0.948 20 0 ACADLP Cn1ccc(C[N@H+]2CCC[C@@H]([NH3+])C2)c1 629652055 347354025 /nfs/dbraw/zinc/35/40/25/347354025.db2.gz UQTPMVSGWTYKLU-LLVKDONJSA-N 2 2 193.294 0.948 20 0 ACADLP Cn1ccc(C[N@@H+]2CC[C@@H]([NH3+])C2)c1 629652012 347354037 /nfs/dbraw/zinc/35/40/37/347354037.db2.gz SKTDVQTWWNEBSA-SNVBAGLBSA-N 2 2 179.267 0.558 20 0 ACADLP Cn1ccc(C[N@H+]2CC[C@@H]([NH3+])C2)c1 629652012 347354038 /nfs/dbraw/zinc/35/40/38/347354038.db2.gz SKTDVQTWWNEBSA-SNVBAGLBSA-N 2 2 179.267 0.558 20 0 ACADLP C[C@@H](C[NH3+])[N@H+](C)CC1=CCCOC1 629651222 347354047 /nfs/dbraw/zinc/35/40/47/347354047.db2.gz CTCWKTXFCPSEIS-VIFPVBQESA-N 2 2 184.283 0.612 20 0 ACADLP C[C@@H](C[NH3+])[N@@H+](C)CC1=CCCOC1 629651222 347354048 /nfs/dbraw/zinc/35/40/48/347354048.db2.gz CTCWKTXFCPSEIS-VIFPVBQESA-N 2 2 184.283 0.612 20 0 ACADLP Cn1ccc(C[N@@H+]2CC[C@H]([NH3+])C2)c1 629652011 347354088 /nfs/dbraw/zinc/35/40/88/347354088.db2.gz SKTDVQTWWNEBSA-JTQLQIEISA-N 2 2 179.267 0.558 20 0 ACADLP Cn1ccc(C[N@H+]2CC[C@H]([NH3+])C2)c1 629652011 347354090 /nfs/dbraw/zinc/35/40/90/347354090.db2.gz SKTDVQTWWNEBSA-JTQLQIEISA-N 2 2 179.267 0.558 20 0 ACADLP [NH3+][C@@H]1CCC[N@H+](CC2=CCCOC2)C1 629652155 347354094 /nfs/dbraw/zinc/35/40/94/347354094.db2.gz XCJANRPHOONPED-LLVKDONJSA-N 2 2 196.294 0.756 20 0 ACADLP C[NH2+]C[C@H](C)[NH2+]CC1=CCCOC1 629649881 347354103 /nfs/dbraw/zinc/35/41/03/347354103.db2.gz JKPUGPLENLORNR-VIFPVBQESA-N 2 2 184.283 0.531 20 0 ACADLP C[C@H](C[NH3+])[N@H+](C)CC1=CCCOC1 629651221 347354136 /nfs/dbraw/zinc/35/41/36/347354136.db2.gz CTCWKTXFCPSEIS-SECBINFHSA-N 2 2 184.283 0.612 20 0 ACADLP C[C@H](C[NH3+])[N@@H+](C)CC1=CCCOC1 629651221 347354138 /nfs/dbraw/zinc/35/41/38/347354138.db2.gz CTCWKTXFCPSEIS-SECBINFHSA-N 2 2 184.283 0.612 20 0 ACADLP CC[N@H+](CC[NH3+])Cc1ccn(C)c1 629651611 347354183 /nfs/dbraw/zinc/35/41/83/347354183.db2.gz UMDJIGCHXLIHCA-UHFFFAOYSA-N 2 2 181.283 0.806 20 0 ACADLP CC[N@@H+](CC[NH3+])Cc1ccn(C)c1 629651611 347354186 /nfs/dbraw/zinc/35/41/86/347354186.db2.gz UMDJIGCHXLIHCA-UHFFFAOYSA-N 2 2 181.283 0.806 20 0 ACADLP C[C@@H]1C[N@H+](CC2=CCCOC2)C[C@H]1[NH3+] 629652976 347354204 /nfs/dbraw/zinc/35/42/04/347354204.db2.gz GTYCWCICCPIAQL-MWLCHTKSSA-N 2 2 196.294 0.612 20 0 ACADLP C[C@@H]1C[N@@H+](CC2=CCCOC2)C[C@H]1[NH3+] 629652976 347354206 /nfs/dbraw/zinc/35/42/06/347354206.db2.gz GTYCWCICCPIAQL-MWLCHTKSSA-N 2 2 196.294 0.612 20 0 ACADLP COCc1ccc(C[NH2+][C@H](C)C[NH3+])o1 629649375 347354256 /nfs/dbraw/zinc/35/42/56/347354256.db2.gz RQYSOWXTLDOSOX-MRVPVSSYSA-N 2 2 198.266 0.863 20 0 ACADLP C[C@@H]1C[N@H+](Cc2ccn(C)c2)C[C@H]1[NH3+] 629655772 347355100 /nfs/dbraw/zinc/35/51/00/347355100.db2.gz VPSVZZQTZXISSN-MWLCHTKSSA-N 2 2 193.294 0.804 20 0 ACADLP C[C@@H]1C[N@@H+](Cc2ccn(C)c2)C[C@H]1[NH3+] 629655772 347355103 /nfs/dbraw/zinc/35/51/03/347355103.db2.gz VPSVZZQTZXISSN-MWLCHTKSSA-N 2 2 193.294 0.804 20 0 ACADLP Cc1[nH+]cc(C[NH2+]C2(C)COC2)n1C 630072358 347359163 /nfs/dbraw/zinc/35/91/63/347359163.db2.gz JXNFSCDEPRCPFK-UHFFFAOYSA-N 2 2 195.266 0.607 20 0 ACADLP Cc1cc(N2C[C@@H]3C[C@H]2C[NH2+]3)nc[nH+]1 630553087 347366947 /nfs/dbraw/zinc/36/69/47/347366947.db2.gz DSUBHCZRHBEOOO-IUCAKERBSA-N 2 2 190.250 0.336 20 0 ACADLP Cc1nc(N2C[C@@H]3C[C@H]2C[NH2+]3)cc[nH+]1 630555446 347366980 /nfs/dbraw/zinc/36/69/80/347366980.db2.gz MPONPCNLGFTSAR-IUCAKERBSA-N 2 2 190.250 0.336 20 0 ACADLP Cc1nccnc1C[N@H+](C)CCC[NH3+] 631821811 347388189 /nfs/dbraw/zinc/38/81/89/347388189.db2.gz JVXOYKWGQYVPLX-UHFFFAOYSA-N 2 2 194.282 0.566 20 0 ACADLP Cc1nccnc1C[N@@H+](C)CCC[NH3+] 631821811 347388191 /nfs/dbraw/zinc/38/81/91/347388191.db2.gz JVXOYKWGQYVPLX-UHFFFAOYSA-N 2 2 194.282 0.566 20 0 ACADLP C[C@@H]1C[N@H+](Cc2ccon2)C[C@H]1C[NH3+] 631837454 347389142 /nfs/dbraw/zinc/38/91/42/347389142.db2.gz BNWMTODZXWDYTF-RKDXNWHRSA-N 2 2 195.266 0.701 20 0 ACADLP C[C@@H]1C[N@@H+](Cc2ccon2)C[C@H]1C[NH3+] 631837454 347389144 /nfs/dbraw/zinc/38/91/44/347389144.db2.gz BNWMTODZXWDYTF-RKDXNWHRSA-N 2 2 195.266 0.701 20 0 ACADLP C[C@@H]1C[C@@H]([NH3+])C[N@@H+]1C[C@H]1CC[NH2+]C1 631856617 347391595 /nfs/dbraw/zinc/39/15/95/347391595.db2.gz OYEGSRDPPQVIRU-KXUCPTDWSA-N 3 2 183.299 0.017 20 0 ACADLP C[C@@H]1C[C@@H]([NH3+])C[N@H+]1C[C@H]1CC[NH2+]C1 631856617 347391600 /nfs/dbraw/zinc/39/16/00/347391600.db2.gz OYEGSRDPPQVIRU-KXUCPTDWSA-N 3 2 183.299 0.017 20 0 ACADLP C[C@@H]1C[C@@H]([NH3+])C[N@@H+]1CCOCC1CC1 631859712 347391755 /nfs/dbraw/zinc/39/17/55/347391755.db2.gz DAOWIDYFBRJVRM-MWLCHTKSSA-N 2 2 198.310 0.835 20 0 ACADLP C[C@@H]1C[C@@H]([NH3+])C[N@H+]1CCOCC1CC1 631859712 347391758 /nfs/dbraw/zinc/39/17/58/347391758.db2.gz DAOWIDYFBRJVRM-MWLCHTKSSA-N 2 2 198.310 0.835 20 0 ACADLP C[C@@H]1C[C@H]([NH3+])C[N@@H+]1C[C@@H]1CC[NH2+]C1 631856616 347391965 /nfs/dbraw/zinc/39/19/65/347391965.db2.gz OYEGSRDPPQVIRU-BBBLOLIVSA-N 3 2 183.299 0.017 20 0 ACADLP C[C@@H]1C[C@H]([NH3+])C[N@H+]1C[C@@H]1CC[NH2+]C1 631856616 347391967 /nfs/dbraw/zinc/39/19/67/347391967.db2.gz OYEGSRDPPQVIRU-BBBLOLIVSA-N 3 2 183.299 0.017 20 0 ACADLP C[C@@H]1C[C@H]([NH3+])C[N@@H+]1C[C@H]1CC[NH2+]C1 631856619 347391975 /nfs/dbraw/zinc/39/19/75/347391975.db2.gz OYEGSRDPPQVIRU-UTLUCORTSA-N 3 2 183.299 0.017 20 0 ACADLP C[C@@H]1C[C@H]([NH3+])C[N@H+]1C[C@H]1CC[NH2+]C1 631856619 347391977 /nfs/dbraw/zinc/39/19/77/347391977.db2.gz OYEGSRDPPQVIRU-UTLUCORTSA-N 3 2 183.299 0.017 20 0 ACADLP C[C@H]1C[C@@H]([NH3+])C[N@@H+]1CCOCC1CC1 631859710 347392007 /nfs/dbraw/zinc/39/20/07/347392007.db2.gz DAOWIDYFBRJVRM-GXSJLCMTSA-N 2 2 198.310 0.835 20 0 ACADLP C[C@H]1C[C@@H]([NH3+])C[N@H+]1CCOCC1CC1 631859710 347392010 /nfs/dbraw/zinc/39/20/10/347392010.db2.gz DAOWIDYFBRJVRM-GXSJLCMTSA-N 2 2 198.310 0.835 20 0 ACADLP C[C@H]1C[C@H]([NH3+])C[N@@H+]1CCOCC1CC1 631859713 347392015 /nfs/dbraw/zinc/39/20/15/347392015.db2.gz DAOWIDYFBRJVRM-ONGXEEELSA-N 2 2 198.310 0.835 20 0 ACADLP C[C@H]1C[C@H]([NH3+])C[N@H+]1CCOCC1CC1 631859713 347392017 /nfs/dbraw/zinc/39/20/17/347392017.db2.gz DAOWIDYFBRJVRM-ONGXEEELSA-N 2 2 198.310 0.835 20 0 ACADLP C[C@@H]1C[C@@H]([NH3+])C[N@@H+]1C[C@@H]1CC[NH2+]C1 631856618 347392053 /nfs/dbraw/zinc/39/20/53/347392053.db2.gz OYEGSRDPPQVIRU-OPRDCNLKSA-N 3 2 183.299 0.017 20 0 ACADLP C[C@@H]1C[C@@H]([NH3+])C[N@H+]1C[C@@H]1CC[NH2+]C1 631856618 347392054 /nfs/dbraw/zinc/39/20/54/347392054.db2.gz OYEGSRDPPQVIRU-OPRDCNLKSA-N 3 2 183.299 0.017 20 0 ACADLP C[C@@H]1C[C@H]([NH3+])C[N@@H+]1CCOCC1CC1 631859711 347392058 /nfs/dbraw/zinc/39/20/58/347392058.db2.gz DAOWIDYFBRJVRM-KOLCDFICSA-N 2 2 198.310 0.835 20 0 ACADLP C[C@@H]1C[C@H]([NH3+])C[N@H+]1CCOCC1CC1 631859711 347392059 /nfs/dbraw/zinc/39/20/59/347392059.db2.gz DAOWIDYFBRJVRM-KOLCDFICSA-N 2 2 198.310 0.835 20 0 ACADLP FCC[NH2+][C@]12CCC[C@@H]1C[NH2+]C2 631867701 347392897 /nfs/dbraw/zinc/39/28/97/347392897.db2.gz ZJFOQVAXERGOSD-BDAKNGLRSA-N 2 2 172.247 0.688 20 0 ACADLP CN(Cc1[nH]cc[nH+]1)C[C@@H]1CC[NH2+]C1 631879238 347393395 /nfs/dbraw/zinc/39/33/95/347393395.db2.gz PCPORXAYCISGTN-SECBINFHSA-N 2 2 194.282 0.451 20 0 ACADLP CN(Cc1[nH]cc[nH+]1)C[C@H]1CC[NH2+]C1 631879239 347393567 /nfs/dbraw/zinc/39/35/67/347393567.db2.gz PCPORXAYCISGTN-VIFPVBQESA-N 2 2 194.282 0.451 20 0 ACADLP CCOCC[NH2+][C@]12CCC[C@@H]1C[NH2+]C2 631868482 347393767 /nfs/dbraw/zinc/39/37/67/347393767.db2.gz IAQVULVWIYZSHL-MNOVXSKESA-N 2 2 198.310 0.755 20 0 ACADLP COCC[NH2+][C@]12CCC[C@@H]1C[NH2+]C2 631868966 347393812 /nfs/dbraw/zinc/39/38/12/347393812.db2.gz RFQJBHGEAFTCNX-ZJUUUORDSA-N 2 2 184.283 0.365 20 0 ACADLP CC(C)CC[C@H]([NH3+])c1nc(C[NH3+])no1 634558013 347414179 /nfs/dbraw/zinc/41/41/79/347414179.db2.gz NIRYJKKYAJUQPV-ZETCQYMHSA-N 2 2 198.270 0.964 20 0 ACADLP CC(C)CC[C@@H]([NH3+])c1nc(C[NH3+])no1 634558012 347414285 /nfs/dbraw/zinc/41/42/85/347414285.db2.gz NIRYJKKYAJUQPV-SSDOTTSWSA-N 2 2 198.270 0.964 20 0 ACADLP CC(C)[C@H](C[NH3+])C[N@H+]1CC[C@H]([NH3+])C1 634991195 347432790 /nfs/dbraw/zinc/43/27/90/347432790.db2.gz TZXMHCQMQMIOBS-ZJUUUORDSA-N 3 2 185.315 0.250 20 0 ACADLP CC(C)[C@H](C[NH3+])C[NH+]1CCC([NH3+])CC1 634991070 347431709 /nfs/dbraw/zinc/43/17/09/347431709.db2.gz OIJLDFIRBMQDKS-SNVBAGLBSA-N 3 2 199.342 0.640 20 0 ACADLP CC(C)[C@@H](C[NH3+])C[N@H+](C)CCC[NH3+] 634991019 347431731 /nfs/dbraw/zinc/43/17/31/347431731.db2.gz MBMIYLGMLRRKJO-JTQLQIEISA-N 3 2 187.331 0.498 20 0 ACADLP CC(C)[C@@H](C[NH3+])C[N@@H+](C)CCC[NH3+] 634991019 347431736 /nfs/dbraw/zinc/43/17/36/347431736.db2.gz MBMIYLGMLRRKJO-JTQLQIEISA-N 3 2 187.331 0.498 20 0 ACADLP C[NH2+][C@H]1CC[N@H+](C[C@H](C[NH3+])C(C)C)C1 634991064 347431771 /nfs/dbraw/zinc/43/17/71/347431771.db2.gz OGENOLKXRIUOTC-QWRGUYRKSA-N 3 2 199.342 0.511 20 0 ACADLP C[NH2+][C@H]1CC[N@@H+](C[C@H](C[NH3+])C(C)C)C1 634991064 347431774 /nfs/dbraw/zinc/43/17/74/347431774.db2.gz OGENOLKXRIUOTC-QWRGUYRKSA-N 3 2 199.342 0.511 20 0 ACADLP C[NH2+][C@H]1CC[N@H+](C[C@@H](C[NH3+])C(C)C)C1 634991063 347431796 /nfs/dbraw/zinc/43/17/96/347431796.db2.gz OGENOLKXRIUOTC-MNOVXSKESA-N 3 2 199.342 0.511 20 0 ACADLP C[NH2+][C@H]1CC[N@@H+](C[C@@H](C[NH3+])C(C)C)C1 634991063 347431799 /nfs/dbraw/zinc/43/17/99/347431799.db2.gz OGENOLKXRIUOTC-MNOVXSKESA-N 3 2 199.342 0.511 20 0 ACADLP C[NH2+][C@@H]1CC[N@H+](C[C@H](C[NH3+])C(C)C)C1 634991065 347431806 /nfs/dbraw/zinc/43/18/06/347431806.db2.gz OGENOLKXRIUOTC-WDEREUQCSA-N 3 2 199.342 0.511 20 0 ACADLP C[NH2+][C@@H]1CC[N@@H+](C[C@H](C[NH3+])C(C)C)C1 634991065 347431809 /nfs/dbraw/zinc/43/18/09/347431809.db2.gz OGENOLKXRIUOTC-WDEREUQCSA-N 3 2 199.342 0.511 20 0 ACADLP C[NH2+][C@@H]1CC[N@H+](C[C@@H](C[NH3+])C(C)C)C1 634991062 347431899 /nfs/dbraw/zinc/43/18/99/347431899.db2.gz OGENOLKXRIUOTC-GHMZBOCLSA-N 3 2 199.342 0.511 20 0 ACADLP C[NH2+][C@@H]1CC[N@@H+](C[C@@H](C[NH3+])C(C)C)C1 634991062 347431902 /nfs/dbraw/zinc/43/19/02/347431902.db2.gz OGENOLKXRIUOTC-GHMZBOCLSA-N 3 2 199.342 0.511 20 0 ACADLP CC(C)[C@@H](C[NH3+])C[NH+]1CCC([NH3+])CC1 634991069 347432108 /nfs/dbraw/zinc/43/21/08/347432108.db2.gz OIJLDFIRBMQDKS-JTQLQIEISA-N 3 2 199.342 0.640 20 0 ACADLP CC(C)[C@H](C[NH3+])C[N@H+](C)CCC[NH3+] 634991020 347432129 /nfs/dbraw/zinc/43/21/29/347432129.db2.gz MBMIYLGMLRRKJO-SNVBAGLBSA-N 3 2 187.331 0.498 20 0 ACADLP CC(C)[C@H](C[NH3+])C[N@@H+](C)CCC[NH3+] 634991020 347432131 /nfs/dbraw/zinc/43/21/31/347432131.db2.gz MBMIYLGMLRRKJO-SNVBAGLBSA-N 3 2 187.331 0.498 20 0 ACADLP CC(C)[C@H](C[NH3+])C[N@@H+]1CC[C@H]([NH3+])C1 634991195 347432789 /nfs/dbraw/zinc/43/27/89/347432789.db2.gz TZXMHCQMQMIOBS-ZJUUUORDSA-N 3 2 185.315 0.250 20 0 ACADLP CC(C)[C@@H](C[NH3+])C[N@@H+]1CC[C@@H]([NH3+])C1 634991194 347432809 /nfs/dbraw/zinc/43/28/09/347432809.db2.gz TZXMHCQMQMIOBS-VHSXEESVSA-N 3 2 185.315 0.250 20 0 ACADLP CC(C)[C@@H](C[NH3+])C[N@H+]1CC[C@@H]([NH3+])C1 634991194 347432812 /nfs/dbraw/zinc/43/28/12/347432812.db2.gz TZXMHCQMQMIOBS-VHSXEESVSA-N 3 2 185.315 0.250 20 0 ACADLP CC(C)[C@H](C[NH3+])C[N@@H+]1CC[C@@H]([NH3+])C1 634991192 347433014 /nfs/dbraw/zinc/43/30/14/347433014.db2.gz TZXMHCQMQMIOBS-NXEZZACHSA-N 3 2 185.315 0.250 20 0 ACADLP CC(C)[C@H](C[NH3+])C[N@H+]1CC[C@@H]([NH3+])C1 634991192 347433016 /nfs/dbraw/zinc/43/30/16/347433016.db2.gz TZXMHCQMQMIOBS-NXEZZACHSA-N 3 2 185.315 0.250 20 0 ACADLP CC(C)[C@@H](C[NH3+])C[N@@H+]1CC[C@H]([NH3+])C1 634991193 347433068 /nfs/dbraw/zinc/43/30/68/347433068.db2.gz TZXMHCQMQMIOBS-UWVGGRQHSA-N 3 2 185.315 0.250 20 0 ACADLP CC(C)[C@@H](C[NH3+])C[N@H+]1CC[C@H]([NH3+])C1 634991193 347433070 /nfs/dbraw/zinc/43/30/70/347433070.db2.gz TZXMHCQMQMIOBS-UWVGGRQHSA-N 3 2 185.315 0.250 20 0 ACADLP CC(C)[C@H](C[NH3+])C[N@H+](C)C1CC([NH3+])C1 634994607 347433412 /nfs/dbraw/zinc/43/34/12/347433412.db2.gz IUIFXKYQQRELTF-KPPDAEKUSA-N 3 2 199.342 0.639 20 0 ACADLP CC(C)[C@H](C[NH3+])C[N@@H+](C)C1CC([NH3+])C1 634994607 347433416 /nfs/dbraw/zinc/43/34/16/347433416.db2.gz IUIFXKYQQRELTF-KPPDAEKUSA-N 3 2 199.342 0.639 20 0 ACADLP CC(C)[C@@H](C[NH3+])C[NH2+]C[C@@H]1CCC[NH2+]1 634995204 347433635 /nfs/dbraw/zinc/43/36/35/347433635.db2.gz YBMCCLYOGFHXCK-QWRGUYRKSA-N 3 2 199.342 0.559 20 0 ACADLP CC(C)[C@H](C[NH3+])C[NH2+]C[C@H]1CCC[NH2+]1 634995202 347433671 /nfs/dbraw/zinc/43/36/71/347433671.db2.gz YBMCCLYOGFHXCK-GHMZBOCLSA-N 3 2 199.342 0.559 20 0 ACADLP CC(C)[C@@H](C[NH3+])C[N@H+](C)C1CC([NH3+])C1 634994608 347433727 /nfs/dbraw/zinc/43/37/27/347433727.db2.gz IUIFXKYQQRELTF-WHXUTIOJSA-N 3 2 199.342 0.639 20 0 ACADLP CC(C)[C@@H](C[NH3+])C[N@@H+](C)C1CC([NH3+])C1 634994608 347433728 /nfs/dbraw/zinc/43/37/28/347433728.db2.gz IUIFXKYQQRELTF-WHXUTIOJSA-N 3 2 199.342 0.639 20 0 ACADLP CC(C)[C@@H](C[NH3+])C[NH2+]C[C@H]1CCC[NH2+]1 634995205 347433735 /nfs/dbraw/zinc/43/37/35/347433735.db2.gz YBMCCLYOGFHXCK-WDEREUQCSA-N 3 2 199.342 0.559 20 0 ACADLP CC(C)[C@H](C[NH3+])C[NH2+]C[C@@H]1CCC[NH2+]1 634995203 347433747 /nfs/dbraw/zinc/43/37/47/347433747.db2.gz YBMCCLYOGFHXCK-MNOVXSKESA-N 3 2 199.342 0.559 20 0 ACADLP CC(C)[C@@H](C[NH3+])C[NH2+]CC(C)(C)[NH3+] 634995181 347433829 /nfs/dbraw/zinc/43/38/29/347433829.db2.gz XROSTGJIAAMQKF-VIFPVBQESA-N 3 2 187.331 0.544 20 0 ACADLP CC(C)[C@H](C[NH3+])C[NH2+]CC(C)(C)[NH3+] 634995180 347433910 /nfs/dbraw/zinc/43/39/10/347433910.db2.gz XROSTGJIAAMQKF-SECBINFHSA-N 3 2 187.331 0.544 20 0 ACADLP CC[C@H]([NH3+])C[NH2+]C[C@H](C[NH3+])C(C)C 634995681 347434330 /nfs/dbraw/zinc/43/43/30/347434330.db2.gz MBJJRPOHRCWEOL-UWVGGRQHSA-N 3 2 187.331 0.544 20 0 ACADLP CC(C)[C@H](C[NH3+])C[NH2+]C[C@@H]([NH3+])C1CC1 634995825 347434393 /nfs/dbraw/zinc/43/43/93/347434393.db2.gz PUGNEUCHZNRUKM-GHMZBOCLSA-N 3 2 199.342 0.544 20 0 ACADLP CC(C)[C@@H](C[NH3+])C[NH2+]C[C@H]([NH3+])C1CC1 634995827 347434402 /nfs/dbraw/zinc/43/44/02/347434402.db2.gz PUGNEUCHZNRUKM-QWRGUYRKSA-N 3 2 199.342 0.544 20 0 ACADLP CC(C)[C@H](C[NH3+])C[NH2+]CC1([NH3+])CCC1 634995308 347434438 /nfs/dbraw/zinc/43/44/38/347434438.db2.gz AJLBUDIWEYXLEF-SNVBAGLBSA-N 3 2 199.342 0.688 20 0 ACADLP CC(C)[C@H](C[NH3+])C[NH2+][C@H]1[C@@H]2C[NH2+]C[C@@H]21 634995739 347434453 /nfs/dbraw/zinc/43/44/53/347434453.db2.gz NKLRAFVWOQLSPD-ZNSHCXBVSA-N 3 2 197.326 0.025 20 0 ACADLP CC[C@H]([NH3+])C[NH2+]C[C@@H](C[NH3+])C(C)C 634995683 347434464 /nfs/dbraw/zinc/43/44/64/347434464.db2.gz MBJJRPOHRCWEOL-ZJUUUORDSA-N 3 2 187.331 0.544 20 0 ACADLP CC[C@@H]([NH3+])C[NH2+]C[C@H](C[NH3+])C(C)C 634995682 347434485 /nfs/dbraw/zinc/43/44/85/347434485.db2.gz MBJJRPOHRCWEOL-VHSXEESVSA-N 3 2 187.331 0.544 20 0 ACADLP CC(C)[C@@H](C[NH3+])C[NH2+]C[C@@H]([NH3+])C1CC1 634995828 347434527 /nfs/dbraw/zinc/43/45/27/347434527.db2.gz PUGNEUCHZNRUKM-WDEREUQCSA-N 3 2 199.342 0.544 20 0 ACADLP CC(C)[C@@H](C[NH3+])C[NH2+][C@H]1[C@@H]2C[NH2+]C[C@@H]21 634995737 347434542 /nfs/dbraw/zinc/43/45/42/347434542.db2.gz NKLRAFVWOQLSPD-UKKRHICBSA-N 3 2 197.326 0.025 20 0 ACADLP CC(C)[C@H](C[NH3+])C[NH2+][C@H](C)C[NH3+] 634995931 347435303 /nfs/dbraw/zinc/43/53/03/347435303.db2.gz ULKMIFLXYFSGFW-RKDXNWHRSA-N 3 2 173.304 0.154 20 0 ACADLP CC(C)[C@H](C[NH3+])C[NH2+]C[C@H]([NH3+])C1CC1 634995826 347434598 /nfs/dbraw/zinc/43/45/98/347434598.db2.gz PUGNEUCHZNRUKM-MNOVXSKESA-N 3 2 199.342 0.544 20 0 ACADLP CC(C)[C@@H](C[NH3+])C[NH2+]CC1([NH3+])CCC1 634995307 347434602 /nfs/dbraw/zinc/43/46/02/347434602.db2.gz AJLBUDIWEYXLEF-JTQLQIEISA-N 3 2 199.342 0.688 20 0 ACADLP CC[C@@H]([NH3+])C[NH2+]C[C@@H](C[NH3+])C(C)C 634995680 347434685 /nfs/dbraw/zinc/43/46/85/347434685.db2.gz MBJJRPOHRCWEOL-NXEZZACHSA-N 3 2 187.331 0.544 20 0 ACADLP CC(C)[C@H](C[NH3+])C[NH2+][C@@H]1CCC[NH2+]C1 634995971 347435124 /nfs/dbraw/zinc/43/51/24/347435124.db2.gz VGMUPTARIBTJDW-GHMZBOCLSA-N 3 2 199.342 0.559 20 0 ACADLP C[NH2+]C[C@H](C)[NH2+]C[C@@H](C[NH3+])C(C)C 634997724 347435183 /nfs/dbraw/zinc/43/51/83/347435183.db2.gz RAQIAFYWKQVGPV-VHSXEESVSA-N 3 2 187.331 0.415 20 0 ACADLP C[NH2+]C[C@@H](C)[NH2+]C[C@H](C[NH3+])C(C)C 634997725 347435272 /nfs/dbraw/zinc/43/52/72/347435272.db2.gz RAQIAFYWKQVGPV-ZJUUUORDSA-N 3 2 187.331 0.415 20 0 ACADLP CC(C)[C@@H](C[NH3+])C[NH2+][C@H](C)C[NH3+] 634995930 347435365 /nfs/dbraw/zinc/43/53/65/347435365.db2.gz ULKMIFLXYFSGFW-BDAKNGLRSA-N 3 2 173.304 0.154 20 0 ACADLP C[NH2+]C[C@H](C)[NH2+]C[C@H](C[NH3+])C(C)C 634997723 347435370 /nfs/dbraw/zinc/43/53/70/347435370.db2.gz RAQIAFYWKQVGPV-UWVGGRQHSA-N 3 2 187.331 0.415 20 0 ACADLP CC(C)[C@@H](C[NH3+])C[NH2+][C@H]1CCC[NH2+]C1 634995973 347435376 /nfs/dbraw/zinc/43/53/76/347435376.db2.gz VGMUPTARIBTJDW-QWRGUYRKSA-N 3 2 199.342 0.559 20 0 ACADLP C[NH2+]C[C@@H](C)[NH2+]C[C@@H](C[NH3+])C(C)C 634997722 347435457 /nfs/dbraw/zinc/43/54/57/347435457.db2.gz RAQIAFYWKQVGPV-NXEZZACHSA-N 3 2 187.331 0.415 20 0 ACADLP CC(C)[C@@H](C[NH3+])C[NH2+][C@@H]1CCC[NH2+]C1 634995974 347435688 /nfs/dbraw/zinc/43/56/88/347435688.db2.gz VGMUPTARIBTJDW-WDEREUQCSA-N 3 2 199.342 0.559 20 0 ACADLP CC(C)[C@H](C[NH3+])C[NH2+][C@H]1CCC[NH2+]C1 634995972 347435741 /nfs/dbraw/zinc/43/57/41/347435741.db2.gz VGMUPTARIBTJDW-MNOVXSKESA-N 3 2 199.342 0.559 20 0 ACADLP CC[NH2+][C@H](C)C(=O)NCc1[nH]cc[nH+]1 638114050 347474306 /nfs/dbraw/zinc/47/43/06/347474306.db2.gz GEXOLVBRFFXVNQ-SSDOTTSWSA-N 2 2 196.254 0.024 20 0 ACADLP CC[NH2+][C@@H](C)C(=O)NCc1[nH]cc[nH+]1 638114058 347474699 /nfs/dbraw/zinc/47/46/99/347474699.db2.gz GEXOLVBRFFXVNQ-ZETCQYMHSA-N 2 2 196.254 0.024 20 0 ACADLP CC[NH2+][C@@H](C)C(=O)NCc1c[nH+]c[nH]1 638283627 347478106 /nfs/dbraw/zinc/47/81/06/347478106.db2.gz YXFPHNOVRIHUJN-ZETCQYMHSA-N 2 2 196.254 0.024 20 0 ACADLP CC[NH2+][C@@H](C)C(=O)NCc1c[nH]c[nH+]1 638283627 347478110 /nfs/dbraw/zinc/47/81/10/347478110.db2.gz YXFPHNOVRIHUJN-ZETCQYMHSA-N 2 2 196.254 0.024 20 0 ACADLP CC[NH2+][C@H](C)C(=O)NCc1c[nH+]c[nH]1 638283626 347478361 /nfs/dbraw/zinc/47/83/61/347478361.db2.gz YXFPHNOVRIHUJN-SSDOTTSWSA-N 2 2 196.254 0.024 20 0 ACADLP CC[NH2+][C@H](C)C(=O)NCc1c[nH]c[nH+]1 638283626 347478364 /nfs/dbraw/zinc/47/83/64/347478364.db2.gz YXFPHNOVRIHUJN-SSDOTTSWSA-N 2 2 196.254 0.024 20 0 ACADLP CCn1c[nH+]cc1C[NH2+]C1(C)COC1 639380777 347514367 /nfs/dbraw/zinc/51/43/67/347514367.db2.gz KLOGBMMXYFMDHP-UHFFFAOYSA-N 2 2 195.266 0.782 20 0 ACADLP Cn1c[nH+]cc1C[NH2+]C1(C)COC1 639382842 347515587 /nfs/dbraw/zinc/51/55/87/347515587.db2.gz ZNRZQXGMEXGHOO-UHFFFAOYSA-N 2 2 181.239 0.299 20 0 ACADLP Cn1c[nH+]cc1CC[N@@H+]1CC[C@@H](O)C1 639475984 347519761 /nfs/dbraw/zinc/51/97/61/347519761.db2.gz YGVYMHWOJHPLHC-SNVBAGLBSA-N 2 2 195.266 0.029 20 0 ACADLP Cn1c[nH+]cc1CC[N@H+]1CC[C@@H](O)C1 639475984 347519764 /nfs/dbraw/zinc/51/97/64/347519764.db2.gz YGVYMHWOJHPLHC-SNVBAGLBSA-N 2 2 195.266 0.029 20 0 ACADLP CC(=O)C[N@H+]1CC[C@@H](C[NH+](C)C)C1 639489925 347520171 /nfs/dbraw/zinc/52/01/71/347520171.db2.gz UPMXCQUUMGBJLB-JTQLQIEISA-N 2 2 184.283 0.459 20 0 ACADLP CC(=O)C[N@@H+]1CC[C@@H](C[NH+](C)C)C1 639489925 347520175 /nfs/dbraw/zinc/52/01/75/347520175.db2.gz UPMXCQUUMGBJLB-JTQLQIEISA-N 2 2 184.283 0.459 20 0 ACADLP CC(=O)C[N@H+]1CC[C@H](C[NH+](C)C)C1 639489929 347520389 /nfs/dbraw/zinc/52/03/89/347520389.db2.gz UPMXCQUUMGBJLB-SNVBAGLBSA-N 2 2 184.283 0.459 20 0 ACADLP CC(=O)C[N@@H+]1CC[C@H](C[NH+](C)C)C1 639489929 347520391 /nfs/dbraw/zinc/52/03/91/347520391.db2.gz UPMXCQUUMGBJLB-SNVBAGLBSA-N 2 2 184.283 0.459 20 0 ACADLP Cn1c[nH+]cc1CC[N@@H+]1CC[C@H](O)C1 639477130 347520443 /nfs/dbraw/zinc/52/04/43/347520443.db2.gz YGVYMHWOJHPLHC-JTQLQIEISA-N 2 2 195.266 0.029 20 0 ACADLP Cn1c[nH+]cc1CC[N@H+]1CC[C@H](O)C1 639477130 347520444 /nfs/dbraw/zinc/52/04/44/347520444.db2.gz YGVYMHWOJHPLHC-JTQLQIEISA-N 2 2 195.266 0.029 20 0 ACADLP CC(=O)C[N@H+](C)CCCn1cc[nH+]c1 639551781 347523169 /nfs/dbraw/zinc/52/31/69/347523169.db2.gz OINWRCAJZUSAGW-UHFFFAOYSA-N 2 2 195.266 0.794 20 0 ACADLP CC(=O)C[N@@H+](C)CCCn1cc[nH+]c1 639551781 347523172 /nfs/dbraw/zinc/52/31/72/347523172.db2.gz OINWRCAJZUSAGW-UHFFFAOYSA-N 2 2 195.266 0.794 20 0 ACADLP CC(=O)C[N@H+](C)CCC[NH+]1CCCC1 639622520 347528253 /nfs/dbraw/zinc/52/82/53/347528253.db2.gz IPYMXOUSNPGRCG-UHFFFAOYSA-N 2 2 198.310 0.993 20 0 ACADLP CC(=O)C[N@@H+](C)CCC[NH+]1CCCC1 639622520 347528256 /nfs/dbraw/zinc/52/82/56/347528256.db2.gz IPYMXOUSNPGRCG-UHFFFAOYSA-N 2 2 198.310 0.993 20 0 ACADLP C[NH+](C)CCNc1cc[nH+]cc1F 641252518 347568953 /nfs/dbraw/zinc/56/89/53/347568953.db2.gz OFTVFGRHSRIVOW-UHFFFAOYSA-N 2 2 183.230 0.616 20 0 ACADLP C[NH+](C)C1CN(c2cc[nH+]cc2F)C1 641465634 347573219 /nfs/dbraw/zinc/57/32/19/347573219.db2.gz HFLMHASFWIIBQM-UHFFFAOYSA-N 2 2 195.241 0.971 20 0 ACADLP C[C@H]1C[C@@H]([NH3+])C[N@@H+]1CCc1cn[nH]c1 641800333 347584606 /nfs/dbraw/zinc/58/46/06/347584606.db2.gz AQGNBUBKSVEUEC-WCBMZHEXSA-N 2 2 194.282 0.374 20 0 ACADLP C[C@H]1C[C@@H]([NH3+])C[N@H+]1CCc1cn[nH]c1 641800333 347584609 /nfs/dbraw/zinc/58/46/09/347584609.db2.gz AQGNBUBKSVEUEC-WCBMZHEXSA-N 2 2 194.282 0.374 20 0 ACADLP C[C@H]1C[C@H]([NH3+])C[N@@H+]1CCc1cn[nH]c1 641800334 347584714 /nfs/dbraw/zinc/58/47/14/347584714.db2.gz AQGNBUBKSVEUEC-WPRPVWTQSA-N 2 2 194.282 0.374 20 0 ACADLP C[C@H]1C[C@H]([NH3+])C[N@H+]1CCc1cn[nH]c1 641800334 347584716 /nfs/dbraw/zinc/58/47/16/347584716.db2.gz AQGNBUBKSVEUEC-WPRPVWTQSA-N 2 2 194.282 0.374 20 0 ACADLP C[C@@H]1C[C@@H]([NH3+])C[N@@H+]1CCc1cn[nH]c1 641800331 347584763 /nfs/dbraw/zinc/58/47/63/347584763.db2.gz AQGNBUBKSVEUEC-PSASIEDQSA-N 2 2 194.282 0.374 20 0 ACADLP C[C@@H]1C[C@@H]([NH3+])C[N@H+]1CCc1cn[nH]c1 641800331 347584767 /nfs/dbraw/zinc/58/47/67/347584767.db2.gz AQGNBUBKSVEUEC-PSASIEDQSA-N 2 2 194.282 0.374 20 0 ACADLP C[C@@H]1C[C@H]([NH3+])C[N@@H+]1CCc1cn[nH]c1 641800332 347584978 /nfs/dbraw/zinc/58/49/78/347584978.db2.gz AQGNBUBKSVEUEC-SCZZXKLOSA-N 2 2 194.282 0.374 20 0 ACADLP C[C@@H]1C[C@H]([NH3+])C[N@H+]1CCc1cn[nH]c1 641800332 347584979 /nfs/dbraw/zinc/58/49/79/347584979.db2.gz AQGNBUBKSVEUEC-SCZZXKLOSA-N 2 2 194.282 0.374 20 0 ACADLP COc1cc(C[N@H+](C)CCC[NH3+])on1 641795945 347585016 /nfs/dbraw/zinc/58/50/16/347585016.db2.gz BRXBTKDRSGGKBE-UHFFFAOYSA-N 2 2 199.254 0.464 20 0 ACADLP COc1cc(C[N@@H+](C)CCC[NH3+])on1 641795945 347585017 /nfs/dbraw/zinc/58/50/17/347585017.db2.gz BRXBTKDRSGGKBE-UHFFFAOYSA-N 2 2 199.254 0.464 20 0 ACADLP CC1(C)[C@@H]([NH2+]C[C@H]2CC[NH2+]C2)C[C@H]1[NH3+] 641802484 347585209 /nfs/dbraw/zinc/58/52/09/347585209.db2.gz LSRLYORDKKMZHU-AEJSXWLSSA-N 3 2 197.326 0.311 20 0 ACADLP C[NH2+]CCC[NH2+][C@@H]1C[C@H]([NH3+])C1(C)C 641802513 347585253 /nfs/dbraw/zinc/58/52/53/347585253.db2.gz MEFZBPDBDBULCR-DTWKUNHWSA-N 3 2 185.315 0.311 20 0 ACADLP C[NH2+]CCC[NH2+][C@H]1C[C@H]([NH3+])C1(C)C 641802514 347585801 /nfs/dbraw/zinc/58/58/01/347585801.db2.gz MEFZBPDBDBULCR-IUCAKERBSA-N 3 2 185.315 0.311 20 0 ACADLP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]C[C@@H]1CC[NH2+]C1 641802487 347585529 /nfs/dbraw/zinc/58/55/29/347585529.db2.gz LSRLYORDKKMZHU-OPRDCNLKSA-N 3 2 197.326 0.311 20 0 ACADLP C[NH2+]CCC[NH2+][C@H]1C[C@@H]([NH3+])C1(C)C 641802512 347585569 /nfs/dbraw/zinc/58/55/69/347585569.db2.gz MEFZBPDBDBULCR-BDAKNGLRSA-N 3 2 185.315 0.311 20 0 ACADLP CC1(C)[C@@H]([NH2+]C[C@@H]2CC[NH2+]C2)C[C@H]1[NH3+] 641802485 347585623 /nfs/dbraw/zinc/58/56/23/347585623.db2.gz LSRLYORDKKMZHU-BBBLOLIVSA-N 3 2 197.326 0.311 20 0 ACADLP C[NH2+]CCC[NH2+][C@@H]1C[C@@H]([NH3+])C1(C)C 641802515 347585656 /nfs/dbraw/zinc/58/56/56/347585656.db2.gz MEFZBPDBDBULCR-RKDXNWHRSA-N 3 2 185.315 0.311 20 0 ACADLP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]C[C@H]1CC[NH2+]C1 641802486 347585721 /nfs/dbraw/zinc/58/57/21/347585721.db2.gz LSRLYORDKKMZHU-IVZWLZJFSA-N 3 2 197.326 0.311 20 0 ACADLP C[C@@H]([C@@H](C)[NH3+])n1cc[nH+]c1 11848835 351361372 /nfs/dbraw/zinc/36/13/72/351361372.db2.gz NCHJUTFMHWBNCJ-RQJHMYQMSA-N 2 2 139.202 0.791 20 0 ACADLP CC[C@@H](C)[NH2+]CC[NH+](C)C 19389275 351389434 /nfs/dbraw/zinc/38/94/34/351389434.db2.gz OODSKLIZBOSXQM-MRVPVSSYSA-N 2 2 144.262 0.936 20 0 ACADLP C[C@@H]1COCC[N@@H+]1C[C@@H]1CCC[NH2+]C1 35776930 351454179 /nfs/dbraw/zinc/45/41/79/351454179.db2.gz YHYBISSOOXWQSY-GHMZBOCLSA-N 2 2 198.310 0.707 20 0 ACADLP C[C@@H]1COCC[N@H+]1C[C@@H]1CCC[NH2+]C1 35776930 351454183 /nfs/dbraw/zinc/45/41/83/351454183.db2.gz YHYBISSOOXWQSY-GHMZBOCLSA-N 2 2 198.310 0.707 20 0 ACADLP c1ccc(N2C[C@@H]3C[NH2+]C[C@H]3C2)[nH+]c1 40424692 351506463 /nfs/dbraw/zinc/50/64/63/351506463.db2.gz FYPFZIWUUJPLNF-UWVGGRQHSA-N 2 2 189.262 0.737 20 0 ACADLP c1ccc(N2C[C@@H]3C[NH2+]C[C@@H]3C2)[nH+]c1 40424690 351506598 /nfs/dbraw/zinc/50/65/98/351506598.db2.gz FYPFZIWUUJPLNF-AOOOYVTPSA-N 2 2 189.262 0.737 20 0 ACADLP C[C@@H]1C[NH+](CC(C)(C)[NH3+])C[C@@H](C)O1 40925740 351513211 /nfs/dbraw/zinc/51/32/11/351513211.db2.gz QLQKFZXSWNYJJQ-RKDXNWHRSA-N 2 2 186.299 0.833 20 0 ACADLP CC(C)([NH3+])C[N@@H+]1CCOC(C)(C)C1 40925996 351513460 /nfs/dbraw/zinc/51/34/60/351513460.db2.gz ILNJVOTYTKKJIA-UHFFFAOYSA-N 2 2 186.299 0.835 20 0 ACADLP CC(C)([NH3+])C[N@H+]1CCOC(C)(C)C1 40925996 351513462 /nfs/dbraw/zinc/51/34/62/351513462.db2.gz ILNJVOTYTKKJIA-UHFFFAOYSA-N 2 2 186.299 0.835 20 0 ACADLP CC(C)([NH3+])C[NH+]1CCSCC1 40925837 351513568 /nfs/dbraw/zinc/51/35/68/351513568.db2.gz MBGLATKUTCJCJN-UHFFFAOYSA-N 2 2 174.313 0.773 20 0 ACADLP c1cn(CC[NH2+][C@H]2CCSC2)c[nH+]1 41041876 351514262 /nfs/dbraw/zinc/51/42/62/351514262.db2.gz WJEQSTKDOCXDMH-VIFPVBQESA-N 2 2 197.307 0.978 20 0 ACADLP c1cn(CC[NH2+][C@@H]2CCSC2)c[nH+]1 41041875 351514716 /nfs/dbraw/zinc/51/47/16/351514716.db2.gz WJEQSTKDOCXDMH-SECBINFHSA-N 2 2 197.307 0.978 20 0 ACADLP c1cc(C[NH2+]CCn2cc[nH+]c2)n[nH]1 41050958 351515847 /nfs/dbraw/zinc/51/58/47/351515847.db2.gz RSXWQGZNAJRVTG-UHFFFAOYSA-N 2 2 191.238 0.396 20 0 ACADLP c1cnn(CC[N@@H+]2CCC[NH2+]CC2)c1 49313404 351547021 /nfs/dbraw/zinc/54/70/21/351547021.db2.gz HMWXYNFBFQKJQF-UHFFFAOYSA-N 2 2 194.282 0.178 20 0 ACADLP c1cnn(CC[N@H+]2CCC[NH2+]CC2)c1 49313404 351547028 /nfs/dbraw/zinc/54/70/28/351547028.db2.gz HMWXYNFBFQKJQF-UHFFFAOYSA-N 2 2 194.282 0.178 20 0 ACADLP C[NH+](C)C(C)(C)CNCc1[nH]cc[nH+]1 49714657 351549860 /nfs/dbraw/zinc/54/98/60/351549860.db2.gz VSWFITIMACWHMQ-UHFFFAOYSA-N 2 2 196.298 0.840 20 0 ACADLP O[C@@H]1CCC[N@H+](CCn2cc[nH+]c2)C1 49773565 351549869 /nfs/dbraw/zinc/54/98/69/351549869.db2.gz MSROMWPTCLNDCD-SNVBAGLBSA-N 2 2 195.266 0.340 20 0 ACADLP O[C@@H]1CCC[N@@H+](CCn2cc[nH+]c2)C1 49773565 351549870 /nfs/dbraw/zinc/54/98/70/351549870.db2.gz MSROMWPTCLNDCD-SNVBAGLBSA-N 2 2 195.266 0.340 20 0 ACADLP C[C@H](CNCc1[nH]cc[nH+]1)[NH+](C)C 49715626 351549940 /nfs/dbraw/zinc/54/99/40/351549940.db2.gz SOUCIIMZBFQSDC-MRVPVSSYSA-N 2 2 182.271 0.449 20 0 ACADLP C[NH+]1CCC(NCc2[nH]cc[nH+]2)CC1 49714836 351550509 /nfs/dbraw/zinc/55/05/09/351550509.db2.gz JALODGPPDDXLNO-UHFFFAOYSA-N 2 2 194.282 0.594 20 0 ACADLP C[NH+]1CCC([NH2+]Cc2ncc[nH]2)CC1 49714836 351550515 /nfs/dbraw/zinc/55/05/15/351550515.db2.gz JALODGPPDDXLNO-UHFFFAOYSA-N 2 2 194.282 0.594 20 0 ACADLP O[C@H]1CCC[N@H+](CCn2cc[nH+]c2)C1 49773564 351550698 /nfs/dbraw/zinc/55/06/98/351550698.db2.gz MSROMWPTCLNDCD-JTQLQIEISA-N 2 2 195.266 0.340 20 0 ACADLP O[C@H]1CCC[N@@H+](CCn2cc[nH+]c2)C1 49773564 351550700 /nfs/dbraw/zinc/55/07/00/351550700.db2.gz MSROMWPTCLNDCD-JTQLQIEISA-N 2 2 195.266 0.340 20 0 ACADLP c1c[nH]c(C[NH2+]CCn2cc[nH+]c2)n1 49715677 351550940 /nfs/dbraw/zinc/55/09/40/351550940.db2.gz ZVAKDLMZRCMITB-UHFFFAOYSA-N 2 2 191.238 0.396 20 0 ACADLP C[C@@H]1COCC[N@@H+]1C[C@@H]1CC[NH2+]C1 51889491 351560142 /nfs/dbraw/zinc/56/01/42/351560142.db2.gz GCNDAZCEMMCXDT-NXEZZACHSA-N 2 2 184.283 0.317 20 0 ACADLP C[C@@H]1COCC[N@H+]1C[C@@H]1CC[NH2+]C1 51889491 351560144 /nfs/dbraw/zinc/56/01/44/351560144.db2.gz GCNDAZCEMMCXDT-NXEZZACHSA-N 2 2 184.283 0.317 20 0 ACADLP C[C@@H]1C[N@H+](C[C@@H]2CC[NH2+]C2)CCO1 51889378 351560581 /nfs/dbraw/zinc/56/05/81/351560581.db2.gz SVSSXNBQYGLCGZ-NXEZZACHSA-N 2 2 184.283 0.317 20 0 ACADLP C[C@@H]1C[N@@H+](C[C@@H]2CC[NH2+]C2)CCO1 51889378 351560586 /nfs/dbraw/zinc/56/05/86/351560586.db2.gz SVSSXNBQYGLCGZ-NXEZZACHSA-N 2 2 184.283 0.317 20 0 ACADLP OC1CCC([NH2+]Cc2c[nH+]c[nH]2)CC1 54763248 351574702 /nfs/dbraw/zinc/57/47/02/351574702.db2.gz RKSAKUCMANLZIJ-UHFFFAOYSA-N 2 2 195.266 0.803 20 0 ACADLP O[C@@H]1CCCC[C@H]1[NH2+]Cc1c[nH+]c[nH]1 54765334 351574895 /nfs/dbraw/zinc/57/48/95/351574895.db2.gz KQQKBXUASBUAPO-NXEZZACHSA-N 2 2 195.266 0.803 20 0 ACADLP O[C@H]1CCCC[C@@H]1[NH2+]Cc1c[nH+]c[nH]1 54765333 351575330 /nfs/dbraw/zinc/57/53/30/351575330.db2.gz KQQKBXUASBUAPO-UWVGGRQHSA-N 2 2 195.266 0.803 20 0 ACADLP C[C@@H]([NH3+])C[N@H+](C)[C@@H]1CCOC1 69626327 351597456 /nfs/dbraw/zinc/59/74/56/351597456.db2.gz SCAOMMWCVMPNIG-HTQZYQBOSA-N 2 2 158.245 0.054 20 0 ACADLP C[C@@H]([NH3+])C[N@@H+](C)[C@@H]1CCOC1 69626327 351597460 /nfs/dbraw/zinc/59/74/60/351597460.db2.gz SCAOMMWCVMPNIG-HTQZYQBOSA-N 2 2 158.245 0.054 20 0 ACADLP C[C@H]([NH3+])C[N@H+](C)[C@@H]1CCOC1 69626324 351597606 /nfs/dbraw/zinc/59/76/06/351597606.db2.gz SCAOMMWCVMPNIG-JGVFFNPUSA-N 2 2 158.245 0.054 20 0 ACADLP C[C@H]([NH3+])C[N@@H+](C)[C@@H]1CCOC1 69626324 351597609 /nfs/dbraw/zinc/59/76/09/351597609.db2.gz SCAOMMWCVMPNIG-JGVFFNPUSA-N 2 2 158.245 0.054 20 0 ACADLP C[C@@H]1C[NH2+]CC[C@@H]1[NH+]1CCN(C)CC1 70045476 351601872 /nfs/dbraw/zinc/60/18/72/351601872.db2.gz KVKJXZHVOYPJIT-MNOVXSKESA-N 2 2 197.326 0.232 20 0 ACADLP C[C@@H]1C[NH2+]CC[C@H]1[NH+]1CCN(C)CC1 70045479 351601962 /nfs/dbraw/zinc/60/19/62/351601962.db2.gz KVKJXZHVOYPJIT-GHMZBOCLSA-N 2 2 197.326 0.232 20 0 ACADLP Cn1c[nH+]cc1CN1CCC[C@@H]([NH3+])C1 74245744 351620702 /nfs/dbraw/zinc/62/07/02/351620702.db2.gz JADGAYJFBOUFPN-SECBINFHSA-N 2 2 194.282 0.343 20 0 ACADLP Cn1c[nH+]cc1CN1CCC[C@H]([NH3+])C1 74245743 351621086 /nfs/dbraw/zinc/62/10/86/351621086.db2.gz JADGAYJFBOUFPN-VIFPVBQESA-N 2 2 194.282 0.343 20 0 ACADLP [NH3+]CC1CN(c2cccc[nH+]2)C1 84987402 351651636 /nfs/dbraw/zinc/65/16/36/351651636.db2.gz YZPRAGCBTAQIBX-UHFFFAOYSA-N 2 2 163.224 0.477 20 0 ACADLP c1cc(C[NH2+][C@@H]2CC[NH2+]C2)ccn1 86725406 351655949 /nfs/dbraw/zinc/65/59/49/351655949.db2.gz ISQZLAMLOGSSFN-SNVBAGLBSA-N 2 2 177.251 0.533 20 0 ACADLP c1cc(C[NH2+][C@H]2CC[NH2+]C2)ccn1 86725409 351656020 /nfs/dbraw/zinc/65/60/20/351656020.db2.gz ISQZLAMLOGSSFN-JTQLQIEISA-N 2 2 177.251 0.533 20 0 ACADLP C[C@@H]1C[N@H+](Cc2ccno2)CC[C@@H]1[NH3+] 86886840 351657479 /nfs/dbraw/zinc/65/74/79/351657479.db2.gz MCAWVASOVAEOHW-SCZZXKLOSA-N 2 2 195.266 0.844 20 0 ACADLP C[C@@H]1C[N@@H+](Cc2ccno2)CC[C@@H]1[NH3+] 86886840 351657482 /nfs/dbraw/zinc/65/74/82/351657482.db2.gz MCAWVASOVAEOHW-SCZZXKLOSA-N 2 2 195.266 0.844 20 0 ACADLP C[C@H]1C[N@H+](Cc2ccno2)CC[C@@H]1[NH3+] 86886843 351658116 /nfs/dbraw/zinc/65/81/16/351658116.db2.gz MCAWVASOVAEOHW-WPRPVWTQSA-N 2 2 195.266 0.844 20 0 ACADLP C[C@H]1C[N@@H+](Cc2ccno2)CC[C@@H]1[NH3+] 86886843 351658118 /nfs/dbraw/zinc/65/81/18/351658118.db2.gz MCAWVASOVAEOHW-WPRPVWTQSA-N 2 2 195.266 0.844 20 0 ACADLP C[C@@H]1C[N@H+](CC[NH3+])CCS1 122315820 351728144 /nfs/dbraw/zinc/72/81/44/351728144.db2.gz WUZYNNGLDBNCAN-SSDOTTSWSA-N 2 2 160.286 0.382 20 0 ACADLP C[C@@H]1C[N@@H+](CC[NH3+])CCS1 122315820 351728147 /nfs/dbraw/zinc/72/81/47/351728147.db2.gz WUZYNNGLDBNCAN-SSDOTTSWSA-N 2 2 160.286 0.382 20 0 ACADLP Cc1cnccc1C[N@H+]1CC[C@@H]([NH3+])C1 129861824 351734927 /nfs/dbraw/zinc/73/49/27/351734927.db2.gz DOSZAUJGYWIUKQ-LLVKDONJSA-N 2 2 191.278 0.923 20 0 ACADLP Cc1cnccc1C[N@@H+]1CC[C@@H]([NH3+])C1 129861824 351734925 /nfs/dbraw/zinc/73/49/25/351734925.db2.gz DOSZAUJGYWIUKQ-LLVKDONJSA-N 2 2 191.278 0.923 20 0 ACADLP Cc1cnccc1C[N@@H+]1CC[C@H]([NH3+])C1 129861591 351735546 /nfs/dbraw/zinc/73/55/46/351735546.db2.gz DOSZAUJGYWIUKQ-NSHDSACASA-N 2 2 191.278 0.923 20 0 ACADLP Cc1cnccc1C[N@H+]1CC[C@H]([NH3+])C1 129861591 351735551 /nfs/dbraw/zinc/73/55/51/351735551.db2.gz DOSZAUJGYWIUKQ-NSHDSACASA-N 2 2 191.278 0.923 20 0 ACADLP CC(C)(O)C[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2 130636033 351736043 /nfs/dbraw/zinc/73/60/43/351736043.db2.gz VNLGMHUTKVNIIC-ZJUUUORDSA-N 2 2 198.310 0.584 20 0 ACADLP CC(C)(O)C[N@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2 130636033 351736049 /nfs/dbraw/zinc/73/60/49/351736049.db2.gz VNLGMHUTKVNIIC-ZJUUUORDSA-N 2 2 198.310 0.584 20 0 ACADLP [NH3+][C@@H]1CC[N@@H+](C2CC2)C[C@@H]1F 218519582 351790391 /nfs/dbraw/zinc/79/03/91/351790391.db2.gz NMNDGFBFFKGLQG-JGVFFNPUSA-N 2 2 158.220 0.520 20 0 ACADLP [NH3+][C@@H]1CC[N@H+](C2CC2)C[C@@H]1F 218519582 351790392 /nfs/dbraw/zinc/79/03/92/351790392.db2.gz NMNDGFBFFKGLQG-JGVFFNPUSA-N 2 2 158.220 0.520 20 0 ACADLP [NH3+][C@H]1CC[N@@H+](C2CC2)C[C@@H]1F 238686489 351823602 /nfs/dbraw/zinc/82/36/02/351823602.db2.gz NMNDGFBFFKGLQG-YUMQZZPRSA-N 2 2 158.220 0.520 20 0 ACADLP [NH3+][C@H]1CC[N@H+](C2CC2)C[C@@H]1F 238686489 351823605 /nfs/dbraw/zinc/82/36/05/351823605.db2.gz NMNDGFBFFKGLQG-YUMQZZPRSA-N 2 2 158.220 0.520 20 0 ACADLP [NH3+][C@H]1[C@@H]2CN(c3cccc[nH+]3)C[C@H]12 250249821 351831737 /nfs/dbraw/zinc/83/17/37/351831737.db2.gz OJCPWQPKWBGEGA-MBTKJCJQSA-N 2 2 175.235 0.475 20 0 ACADLP CC[N@@H+]1CCC[C@@H]([NH2+][C@H]2CCOC2)C1 250453974 351832124 /nfs/dbraw/zinc/83/21/24/351832124.db2.gz ZWPSCSULQGOKTM-MNOVXSKESA-N 2 2 198.310 0.849 20 0 ACADLP CC[N@H+]1CCC[C@@H]([NH2+][C@H]2CCOC2)C1 250453974 351832129 /nfs/dbraw/zinc/83/21/29/351832129.db2.gz ZWPSCSULQGOKTM-MNOVXSKESA-N 2 2 198.310 0.849 20 0 ACADLP CC[N@@H+]1CCC[C@H]([NH2+][C@H]2CCOC2)C1 250453977 351832152 /nfs/dbraw/zinc/83/21/52/351832152.db2.gz ZWPSCSULQGOKTM-QWRGUYRKSA-N 2 2 198.310 0.849 20 0 ACADLP CC[N@H+]1CCC[C@H]([NH2+][C@H]2CCOC2)C1 250453977 351832155 /nfs/dbraw/zinc/83/21/55/351832155.db2.gz ZWPSCSULQGOKTM-QWRGUYRKSA-N 2 2 198.310 0.849 20 0 ACADLP C[C@@H]1C[N@H+](Cc2ccon2)CC[C@H]1[NH3+] 251685949 351835493 /nfs/dbraw/zinc/83/54/93/351835493.db2.gz IAXAMGLMYHZGRN-PSASIEDQSA-N 2 2 195.266 0.844 20 0 ACADLP C[C@H]1C[N@H+](Cc2ccon2)CC[C@H]1[NH3+] 251685952 351835436 /nfs/dbraw/zinc/83/54/36/351835436.db2.gz IAXAMGLMYHZGRN-WCBMZHEXSA-N 2 2 195.266 0.844 20 0 ACADLP C[C@H]1C[N@@H+](Cc2ccon2)CC[C@H]1[NH3+] 251685952 351835438 /nfs/dbraw/zinc/83/54/38/351835438.db2.gz IAXAMGLMYHZGRN-WCBMZHEXSA-N 2 2 195.266 0.844 20 0 ACADLP C[C@H]1C[N@H+](C[C@H]2CCC[NH2+]C2)CCO1 251683619 351835443 /nfs/dbraw/zinc/83/54/43/351835443.db2.gz HYFYICPTHVWGSX-QWRGUYRKSA-N 2 2 198.310 0.707 20 0 ACADLP C[C@H]1C[N@@H+](C[C@H]2CCC[NH2+]C2)CCO1 251683619 351835446 /nfs/dbraw/zinc/83/54/46/351835446.db2.gz HYFYICPTHVWGSX-QWRGUYRKSA-N 2 2 198.310 0.707 20 0 ACADLP C[C@@H]1C[N@H+](C[C@H]2CCC[NH2+]C2)CCO1 251683616 351835469 /nfs/dbraw/zinc/83/54/69/351835469.db2.gz HYFYICPTHVWGSX-MNOVXSKESA-N 2 2 198.310 0.707 20 0 ACADLP C[C@@H]1C[N@@H+](C[C@H]2CCC[NH2+]C2)CCO1 251683616 351835472 /nfs/dbraw/zinc/83/54/72/351835472.db2.gz HYFYICPTHVWGSX-MNOVXSKESA-N 2 2 198.310 0.707 20 0 ACADLP C[C@@H]1C[N@@H+](Cc2ccon2)CC[C@H]1[NH3+] 251685949 351835496 /nfs/dbraw/zinc/83/54/96/351835496.db2.gz IAXAMGLMYHZGRN-PSASIEDQSA-N 2 2 195.266 0.844 20 0 ACADLP C[C@H]1C[N@H+](Cc2ccno2)CC[C@H]1[NH3+] 251765767 351836444 /nfs/dbraw/zinc/83/64/44/351836444.db2.gz MCAWVASOVAEOHW-WCBMZHEXSA-N 2 2 195.266 0.844 20 0 ACADLP C[C@H]1C[N@@H+](Cc2ccno2)CC[C@H]1[NH3+] 251765767 351836446 /nfs/dbraw/zinc/83/64/46/351836446.db2.gz MCAWVASOVAEOHW-WCBMZHEXSA-N 2 2 195.266 0.844 20 0 ACADLP C[C@@H]1C[N@H+](Cc2ccno2)CC[C@H]1[NH3+] 251765765 351836475 /nfs/dbraw/zinc/83/64/75/351836475.db2.gz MCAWVASOVAEOHW-PSASIEDQSA-N 2 2 195.266 0.844 20 0 ACADLP C[C@@H]1C[N@@H+](Cc2ccno2)CC[C@H]1[NH3+] 251765765 351836479 /nfs/dbraw/zinc/83/64/79/351836479.db2.gz MCAWVASOVAEOHW-PSASIEDQSA-N 2 2 195.266 0.844 20 0 ACADLP C[C@H]([NH3+])C[N@@H+]1CCSC[C@H]1C 251854581 351836672 /nfs/dbraw/zinc/83/66/72/351836672.db2.gz RVBNPBAFZBZMKN-JGVFFNPUSA-N 2 2 174.313 0.771 20 0 ACADLP C[C@H]([NH3+])C[N@H+]1CCSC[C@H]1C 251854581 351836676 /nfs/dbraw/zinc/83/66/76/351836676.db2.gz RVBNPBAFZBZMKN-JGVFFNPUSA-N 2 2 174.313 0.771 20 0 ACADLP C[C@@H]1COCC[N@@H+]1C[C@H]1CCC[NH2+]C1 251925930 351837386 /nfs/dbraw/zinc/83/73/86/351837386.db2.gz YHYBISSOOXWQSY-MNOVXSKESA-N 2 2 198.310 0.707 20 0 ACADLP C[C@@H]1COCC[N@H+]1C[C@H]1CCC[NH2+]C1 251925930 351837389 /nfs/dbraw/zinc/83/73/89/351837389.db2.gz YHYBISSOOXWQSY-MNOVXSKESA-N 2 2 198.310 0.707 20 0 ACADLP C[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CCOC1 252738968 351842763 /nfs/dbraw/zinc/84/27/63/351842763.db2.gz FDWKAGOJLGDMAX-VHSXEESVSA-N 2 2 184.283 0.459 20 0 ACADLP C[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CCOC1 252738968 351842765 /nfs/dbraw/zinc/84/27/65/351842765.db2.gz FDWKAGOJLGDMAX-VHSXEESVSA-N 2 2 184.283 0.459 20 0 ACADLP CC[N@@H+]1CC[C@H](OC)C[C@H]1C[NH3+] 252779894 351843063 /nfs/dbraw/zinc/84/30/63/351843063.db2.gz SIJMSKOEEYQPDX-IUCAKERBSA-N 2 2 172.272 0.444 20 0 ACADLP CC[N@H+]1CC[C@H](OC)C[C@H]1C[NH3+] 252779894 351843066 /nfs/dbraw/zinc/84/30/66/351843066.db2.gz SIJMSKOEEYQPDX-IUCAKERBSA-N 2 2 172.272 0.444 20 0 ACADLP CC[N@@H+]1CC[C@@H](OC)C[C@H]1C[NH3+] 252779893 351843089 /nfs/dbraw/zinc/84/30/89/351843089.db2.gz SIJMSKOEEYQPDX-DTWKUNHWSA-N 2 2 172.272 0.444 20 0 ACADLP CC[N@H+]1CC[C@@H](OC)C[C@H]1C[NH3+] 252779893 351843093 /nfs/dbraw/zinc/84/30/93/351843093.db2.gz SIJMSKOEEYQPDX-DTWKUNHWSA-N 2 2 172.272 0.444 20 0 ACADLP C[C@H]([NH3+])C[N@@H+]1CCS[C@H](C)C1 252981015 351844398 /nfs/dbraw/zinc/84/43/98/351844398.db2.gz PFPFIVOVSAMZOS-JGVFFNPUSA-N 2 2 174.313 0.771 20 0 ACADLP C[C@H]([NH3+])C[N@H+]1CCS[C@H](C)C1 252981015 351844400 /nfs/dbraw/zinc/84/44/00/351844400.db2.gz PFPFIVOVSAMZOS-JGVFFNPUSA-N 2 2 174.313 0.771 20 0 ACADLP C[C@H]([NH3+])c1nc([C@@H]2CCC[NH2+]2)no1 258176338 351860373 /nfs/dbraw/zinc/86/03/73/351860373.db2.gz XVFHRTTWHMQJDE-WDSKDSINSA-N 2 2 182.227 0.514 20 0 ACADLP CC1(F)CC[NH+](CC[NH3+])CC1 258171962 351860411 /nfs/dbraw/zinc/86/04/11/351860411.db2.gz UJQOWILLSQHTNU-UHFFFAOYSA-N 2 2 160.236 0.769 20 0 ACADLP C[C@@H]([NH3+])c1nc([C@H]2CCC[NH2+]2)no1 258176332 351860528 /nfs/dbraw/zinc/86/05/28/351860528.db2.gz XVFHRTTWHMQJDE-PHDIDXHHSA-N 2 2 182.227 0.514 20 0 ACADLP C[C@H]([NH3+])c1nc([C@H]2CCC[NH2+]2)no1 258176331 351860553 /nfs/dbraw/zinc/86/05/53/351860553.db2.gz XVFHRTTWHMQJDE-NTSWFWBYSA-N 2 2 182.227 0.514 20 0 ACADLP C[C@@H]([NH3+])c1nc([C@@H]2CCC[NH2+]2)no1 258176334 351860710 /nfs/dbraw/zinc/86/07/10/351860710.db2.gz XVFHRTTWHMQJDE-RITPCOANSA-N 2 2 182.227 0.514 20 0 ACADLP Cn1c[nH+]cc1CN1CC[NH+](C)CC1 258268267 351861244 /nfs/dbraw/zinc/86/12/44/351861244.db2.gz SIORFGCDOHMCFS-UHFFFAOYSA-N 2 2 194.282 0.168 20 0 ACADLP C1C[NH2+]C[C@@H]([NH2+]C2CSC2)C1 259758337 351878659 /nfs/dbraw/zinc/87/86/59/351878659.db2.gz OUROWIVEUZEABG-ZETCQYMHSA-N 2 2 172.297 0.443 20 0 ACADLP C1C[NH2+]C[C@H]([NH2+]C2CSC2)C1 259758330 351878889 /nfs/dbraw/zinc/87/88/89/351878889.db2.gz OUROWIVEUZEABG-SSDOTTSWSA-N 2 2 172.297 0.443 20 0 ACADLP CC[NH+](CC)[C@H]1C[NH2+]CC[C@@H]1O 259875533 351881295 /nfs/dbraw/zinc/88/12/95/351881295.db2.gz YDXHHFRXURRKDK-IUCAKERBSA-N 2 2 172.272 0.051 20 0 ACADLP COCC[N@@H+]1CCC[C@H]2C[NH2+]C[C@H]21 299893697 351893784 /nfs/dbraw/zinc/89/37/84/351893784.db2.gz NYLCRINRMLIASU-VHSXEESVSA-N 2 2 184.283 0.317 20 0 ACADLP COCC[N@H+]1CCC[C@H]2C[NH2+]C[C@H]21 299893697 351893790 /nfs/dbraw/zinc/89/37/90/351893790.db2.gz NYLCRINRMLIASU-VHSXEESVSA-N 2 2 184.283 0.317 20 0 ACADLP C[C@@H]1C[N@H+](CCn2cccn2)C[C@H]1[NH3+] 300048415 351895075 /nfs/dbraw/zinc/89/50/75/351895075.db2.gz JQEWWZGUCAZXBP-NXEZZACHSA-N 2 2 194.282 0.162 20 0 ACADLP C[C@@H]1C[N@@H+](CCn2cccn2)C[C@H]1[NH3+] 300048415 351895076 /nfs/dbraw/zinc/89/50/76/351895076.db2.gz JQEWWZGUCAZXBP-NXEZZACHSA-N 2 2 194.282 0.162 20 0 ACADLP C[C@@H]1C[N@H+](Cc2cccnc2)C[C@H]1[NH3+] 300049037 351895116 /nfs/dbraw/zinc/89/51/16/351895116.db2.gz OSKPCRIEDHCNPR-MWLCHTKSSA-N 2 2 191.278 0.861 20 0 ACADLP C[C@@H]1C[N@@H+](Cc2cccnc2)C[C@H]1[NH3+] 300049037 351895117 /nfs/dbraw/zinc/89/51/17/351895117.db2.gz OSKPCRIEDHCNPR-MWLCHTKSSA-N 2 2 191.278 0.861 20 0 ACADLP C[C@@H]1C[N@H+](Cc2ccccn2)C[C@H]1[NH3+] 300049418 351895121 /nfs/dbraw/zinc/89/51/21/351895121.db2.gz ROTXHGMZCDMVFL-MWLCHTKSSA-N 2 2 191.278 0.861 20 0 ACADLP C[C@@H]1C[N@@H+](Cc2ccccn2)C[C@H]1[NH3+] 300049418 351895122 /nfs/dbraw/zinc/89/51/22/351895122.db2.gz ROTXHGMZCDMVFL-MWLCHTKSSA-N 2 2 191.278 0.861 20 0 ACADLP C[C@@H]1C[N@H+](Cc2ccncc2)C[C@H]1[NH3+] 300049981 351895162 /nfs/dbraw/zinc/89/51/62/351895162.db2.gz WCHJYYOIGMFIFG-MWLCHTKSSA-N 2 2 191.278 0.861 20 0 ACADLP C[C@@H]1C[N@@H+](Cc2ccncc2)C[C@H]1[NH3+] 300049981 351895165 /nfs/dbraw/zinc/89/51/65/351895165.db2.gz WCHJYYOIGMFIFG-MWLCHTKSSA-N 2 2 191.278 0.861 20 0 ACADLP C[C@@H]1CN(Cc2[nH+]ccn2C)C[C@H]1[NH3+] 300049449 351895180 /nfs/dbraw/zinc/89/51/80/351895180.db2.gz RTSGAZODTKCIIG-RKDXNWHRSA-N 2 2 194.282 0.199 20 0 ACADLP C[C@@H]1CN(Cc2c[nH+]cn2C)C[C@H]1[NH3+] 300050304 351895227 /nfs/dbraw/zinc/89/52/27/351895227.db2.gz YKVBPCUQHJQVIS-PSASIEDQSA-N 2 2 194.282 0.199 20 0 ACADLP CC(C)([NH3+])C[N@@H+]1CC[C@@](C)(C[NH3+])C1 306195939 351905845 /nfs/dbraw/zinc/90/58/45/351905845.db2.gz BINNURFPYZLACA-JTQLQIEISA-N 3 2 185.315 0.394 20 0 ACADLP CC(C)([NH3+])C[N@H+]1CC[C@@](C)(C[NH3+])C1 306195939 351905846 /nfs/dbraw/zinc/90/58/46/351905846.db2.gz BINNURFPYZLACA-JTQLQIEISA-N 3 2 185.315 0.394 20 0 ACADLP CC(C)([NH3+])C[N@@H+]1CC[C@](C)(C[NH3+])C1 306195940 351905870 /nfs/dbraw/zinc/90/58/70/351905870.db2.gz BINNURFPYZLACA-SNVBAGLBSA-N 3 2 185.315 0.394 20 0 ACADLP CC(C)([NH3+])C[N@H+]1CC[C@](C)(C[NH3+])C1 306195940 351905874 /nfs/dbraw/zinc/90/58/74/351905874.db2.gz BINNURFPYZLACA-SNVBAGLBSA-N 3 2 185.315 0.394 20 0 ACADLP c1n[nH]cc1CC[N@@H+]1CCC[NH2+]CC1 306193458 351905991 /nfs/dbraw/zinc/90/59/91/351905991.db2.gz LEBIVXBVNBUJTN-UHFFFAOYSA-N 2 2 194.282 0.248 20 0 ACADLP c1n[nH]cc1CC[N@H+]1CCC[NH2+]CC1 306193458 351905995 /nfs/dbraw/zinc/90/59/95/351905995.db2.gz LEBIVXBVNBUJTN-UHFFFAOYSA-N 2 2 194.282 0.248 20 0 ACADLP CC(C)([NH3+])C[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 306196344 351906481 /nfs/dbraw/zinc/90/64/81/351906481.db2.gz PSSOGCMIHVYCIX-LLVKDONJSA-N 3 2 197.326 0.409 20 0 ACADLP CC(C)([NH3+])C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 306196344 351906482 /nfs/dbraw/zinc/90/64/82/351906482.db2.gz PSSOGCMIHVYCIX-LLVKDONJSA-N 3 2 197.326 0.409 20 0 ACADLP CC(C)([NH3+])C[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 306196345 351906498 /nfs/dbraw/zinc/90/64/98/351906498.db2.gz PSSOGCMIHVYCIX-NSHDSACASA-N 3 2 197.326 0.409 20 0 ACADLP CC(C)([NH3+])C[N@H+]1CC[C@]2(CC[NH2+]C2)C1 306196345 351906499 /nfs/dbraw/zinc/90/64/99/351906499.db2.gz PSSOGCMIHVYCIX-NSHDSACASA-N 3 2 197.326 0.409 20 0 ACADLP C[C@@H]1C[N@H+](CCc2cn[nH]c2)C[C@H]1[NH3+] 306235651 351911443 /nfs/dbraw/zinc/91/14/43/351911443.db2.gz GWRZQZMFQDYBDW-PSASIEDQSA-N 2 2 194.282 0.231 20 0 ACADLP C[C@@H]1C[N@@H+](CCc2cn[nH]c2)C[C@H]1[NH3+] 306235651 351911444 /nfs/dbraw/zinc/91/14/44/351911444.db2.gz GWRZQZMFQDYBDW-PSASIEDQSA-N 2 2 194.282 0.231 20 0 ACADLP C[C@@H]1C[C@H](O)C[N@@H+]1CCn1cc[nH+]c1 306257502 351912817 /nfs/dbraw/zinc/91/28/17/351912817.db2.gz YTVAKTGEWIXHLJ-ZJUUUORDSA-N 2 2 195.266 0.338 20 0 ACADLP C[C@@H]1C[C@H](O)C[N@H+]1CCn1cc[nH+]c1 306257502 351912820 /nfs/dbraw/zinc/91/28/20/351912820.db2.gz YTVAKTGEWIXHLJ-ZJUUUORDSA-N 2 2 195.266 0.338 20 0 ACADLP C[C@@H]1C[C@@H](O)C[N@@H+]1CCn1cc[nH+]c1 306257499 351912983 /nfs/dbraw/zinc/91/29/83/351912983.db2.gz YTVAKTGEWIXHLJ-NXEZZACHSA-N 2 2 195.266 0.338 20 0 ACADLP C[C@@H]1C[C@@H](O)C[N@H+]1CCn1cc[nH+]c1 306257499 351912984 /nfs/dbraw/zinc/91/29/84/351912984.db2.gz YTVAKTGEWIXHLJ-NXEZZACHSA-N 2 2 195.266 0.338 20 0 ACADLP [NH3+][C@H]1CCC[N@H+](CCc2cn[nH]c2)C1 306689472 351956375 /nfs/dbraw/zinc/95/63/75/351956375.db2.gz KVZYMXPMGFDNAT-JTQLQIEISA-N 2 2 194.282 0.375 20 0 ACADLP [NH3+][C@H]1CCC[N@@H+](CCc2cn[nH]c2)C1 306689472 351956379 /nfs/dbraw/zinc/95/63/79/351956379.db2.gz KVZYMXPMGFDNAT-JTQLQIEISA-N 2 2 194.282 0.375 20 0 ACADLP C[C@@]1(C[NH3+])CC[N@H+](Cc2ccon2)C1 306761146 351963012 /nfs/dbraw/zinc/96/30/12/351963012.db2.gz RMWRCTMDGXNEQK-JTQLQIEISA-N 2 2 195.266 0.845 20 0 ACADLP C[C@@]1(C[NH3+])CC[N@@H+](Cc2ccon2)C1 306761146 351963014 /nfs/dbraw/zinc/96/30/14/351963014.db2.gz RMWRCTMDGXNEQK-JTQLQIEISA-N 2 2 195.266 0.845 20 0 ACADLP C[C@@H]1C[C@@H]([NH3+])C[N@@H+]1C[C@H]1CCCCO1 306836443 351967948 /nfs/dbraw/zinc/96/79/48/351967948.db2.gz UMTQRZBGTCAPNV-GMTAPVOTSA-N 2 2 198.310 0.977 20 0 ACADLP C[C@@H]1C[C@@H]([NH3+])C[N@H+]1C[C@H]1CCCCO1 306836443 351967949 /nfs/dbraw/zinc/96/79/49/351967949.db2.gz UMTQRZBGTCAPNV-GMTAPVOTSA-N 2 2 198.310 0.977 20 0 ACADLP C[C@@H]1C[C@H]([NH3+])C[N@@H+]1C[C@@H]1CCCCO1 306836447 351967979 /nfs/dbraw/zinc/96/79/79/351967979.db2.gz UMTQRZBGTCAPNV-VWYCJHECSA-N 2 2 198.310 0.977 20 0 ACADLP C[C@@H]1C[C@H]([NH3+])C[N@H+]1C[C@@H]1CCCCO1 306836447 351967981 /nfs/dbraw/zinc/96/79/81/351967981.db2.gz UMTQRZBGTCAPNV-VWYCJHECSA-N 2 2 198.310 0.977 20 0 ACADLP C[C@@H]1C[C@@H]([NH3+])C[N@@H+]1C[C@@H]1CCCCO1 306836444 351968013 /nfs/dbraw/zinc/96/80/13/351968013.db2.gz UMTQRZBGTCAPNV-MXWKQRLJSA-N 2 2 198.310 0.977 20 0 ACADLP C[C@@H]1C[C@@H]([NH3+])C[N@H+]1C[C@@H]1CCCCO1 306836444 351968015 /nfs/dbraw/zinc/96/80/15/351968015.db2.gz UMTQRZBGTCAPNV-MXWKQRLJSA-N 2 2 198.310 0.977 20 0 ACADLP C[C@@H]1C[C@H]([NH3+])C[N@@H+]1C[C@H]1CCCCO1 306836445 351968021 /nfs/dbraw/zinc/96/80/21/351968021.db2.gz UMTQRZBGTCAPNV-OUAUKWLOSA-N 2 2 198.310 0.977 20 0 ACADLP C[C@@H]1C[C@H]([NH3+])C[N@H+]1C[C@H]1CCCCO1 306836445 351968025 /nfs/dbraw/zinc/96/80/25/351968025.db2.gz UMTQRZBGTCAPNV-OUAUKWLOSA-N 2 2 198.310 0.977 20 0 ACADLP C[C@@]1(C[NH+]2CCC([NH3+])CC2)CC[NH2+]C1 306927204 351975227 /nfs/dbraw/zinc/97/52/27/351975227.db2.gz SMVNSJXTHRWQCI-LLVKDONJSA-N 3 2 197.326 0.409 20 0 ACADLP CC(C)([NH3+])C[N@@H+]1CC[C@@H](C[NH3+])C1 307078948 351985192 /nfs/dbraw/zinc/98/51/92/351985192.db2.gz HGVTYBSXPMULHZ-QMMMGPOBSA-N 3 2 171.288 0.004 20 0 ACADLP CC(C)([NH3+])C[N@H+]1CC[C@@H](C[NH3+])C1 307078948 351985194 /nfs/dbraw/zinc/98/51/94/351985194.db2.gz HGVTYBSXPMULHZ-QMMMGPOBSA-N 3 2 171.288 0.004 20 0 ACADLP CC(C)([NH3+])C[N@@H+]1CC[C@H](C[NH3+])C1 307078945 351985422 /nfs/dbraw/zinc/98/54/22/351985422.db2.gz HGVTYBSXPMULHZ-MRVPVSSYSA-N 3 2 171.288 0.004 20 0 ACADLP CC(C)([NH3+])C[N@H+]1CC[C@H](C[NH3+])C1 307078945 351985424 /nfs/dbraw/zinc/98/54/24/351985424.db2.gz HGVTYBSXPMULHZ-MRVPVSSYSA-N 3 2 171.288 0.004 20 0 ACADLP CC(C)([NH3+])C[NH+]1CCC([NH3+])CC1 307102785 351986956 /nfs/dbraw/zinc/98/69/56/351986956.db2.gz WFRKXDAESKGBLZ-UHFFFAOYSA-N 3 2 171.288 0.147 20 0 ACADLP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1ccon1 307135018 351988205 /nfs/dbraw/zinc/98/82/05/351988205.db2.gz PLSBOOZHIGWCQK-RKDXNWHRSA-N 2 2 195.266 0.844 20 0 ACADLP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1ccon1 307135018 351988209 /nfs/dbraw/zinc/98/82/09/351988209.db2.gz PLSBOOZHIGWCQK-RKDXNWHRSA-N 2 2 195.266 0.844 20 0 ACADLP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1ccon1 307135015 351988660 /nfs/dbraw/zinc/98/86/60/351988660.db2.gz PLSBOOZHIGWCQK-BDAKNGLRSA-N 2 2 195.266 0.844 20 0 ACADLP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1ccon1 307135015 351988662 /nfs/dbraw/zinc/98/86/62/351988662.db2.gz PLSBOOZHIGWCQK-BDAKNGLRSA-N 2 2 195.266 0.844 20 0 ACADLP C1=C(C[NH2+][C@@H]2CCC[NH2+]C2)COCC1 307142210 351989854 /nfs/dbraw/zinc/98/98/54/351989854.db2.gz DUBWUZURAUTNOG-LLVKDONJSA-N 2 2 196.294 0.675 20 0 ACADLP C1=C(C[NH2+][C@H]2CCC[NH2+]C2)COCC1 307142212 351989940 /nfs/dbraw/zinc/98/99/40/351989940.db2.gz DUBWUZURAUTNOG-NSHDSACASA-N 2 2 196.294 0.675 20 0 ACADLP C[C@@]1(C[NH3+])CC[N@H+](Cc2cc[nH]n2)C1 307170248 351992119 /nfs/dbraw/zinc/99/21/19/351992119.db2.gz ARMHQAKAPBOINE-JTQLQIEISA-N 2 2 194.282 0.580 20 0 ACADLP C[C@@]1(C[NH3+])CC[N@@H+](Cc2cc[nH]n2)C1 307170248 351992121 /nfs/dbraw/zinc/99/21/21/351992121.db2.gz ARMHQAKAPBOINE-JTQLQIEISA-N 2 2 194.282 0.580 20 0 ACADLP C[C@@H]1C[N@H+](Cc2cc[nH]n2)CC[C@@H]1[NH3+] 307204778 351994241 /nfs/dbraw/zinc/99/42/41/351994241.db2.gz GEILZHSQUAVQFP-SCZZXKLOSA-N 2 2 194.282 0.579 20 0 ACADLP C[C@@H]1C[N@@H+](Cc2cc[nH]n2)CC[C@@H]1[NH3+] 307204778 351994244 /nfs/dbraw/zinc/99/42/44/351994244.db2.gz GEILZHSQUAVQFP-SCZZXKLOSA-N 2 2 194.282 0.579 20 0 ACADLP C[C@@]1(C[N@@H+]2CC[C@H](C[NH3+])C2)CC[NH2+]C1 307211286 351994713 /nfs/dbraw/zinc/99/47/13/351994713.db2.gz SRJWYQZEVQPOKO-GHMZBOCLSA-N 3 2 197.326 0.267 20 0 ACADLP C[C@@]1(C[N@H+]2CC[C@H](C[NH3+])C2)CC[NH2+]C1 307211286 351994715 /nfs/dbraw/zinc/99/47/15/351994715.db2.gz SRJWYQZEVQPOKO-GHMZBOCLSA-N 3 2 197.326 0.267 20 0 ACADLP C[C@@]1(C[N@@H+]2CC[C@@H](C[NH3+])C2)CC[NH2+]C1 307211457 351994851 /nfs/dbraw/zinc/99/48/51/351994851.db2.gz SRJWYQZEVQPOKO-WDEREUQCSA-N 3 2 197.326 0.267 20 0 ACADLP C[C@@]1(C[N@H+]2CC[C@@H](C[NH3+])C2)CC[NH2+]C1 307211457 351994854 /nfs/dbraw/zinc/99/48/54/351994854.db2.gz SRJWYQZEVQPOKO-WDEREUQCSA-N 3 2 197.326 0.267 20 0 ACADLP C[NH2+][C@H]1CC[N@H+](CC2=CCCOC2)C1 307267290 351999345 /nfs/dbraw/zinc/99/93/45/351999345.db2.gz IHCYOEJYKGBETO-NSHDSACASA-N 2 2 196.294 0.627 20 0 ACADLP C[NH2+][C@H]1CC[N@@H+](CC2=CCCOC2)C1 307267290 351999348 /nfs/dbraw/zinc/99/93/48/351999348.db2.gz IHCYOEJYKGBETO-NSHDSACASA-N 2 2 196.294 0.627 20 0 ACADLP C[NH2+][C@@H]1CC[N@H+](CC2=CCCOC2)C1 307267289 351999365 /nfs/dbraw/zinc/99/93/65/351999365.db2.gz IHCYOEJYKGBETO-LLVKDONJSA-N 2 2 196.294 0.627 20 0 ACADLP C[NH2+][C@@H]1CC[N@@H+](CC2=CCCOC2)C1 307267289 351999367 /nfs/dbraw/zinc/99/93/67/351999367.db2.gz IHCYOEJYKGBETO-LLVKDONJSA-N 2 2 196.294 0.627 20 0 ACADLP C[C@@H]1C[C@H]([NH3+])C[N@@H+]1CCn1cccn1 307274747 351999986 /nfs/dbraw/zinc/99/99/86/351999986.db2.gz OIWAXRGGTVOJHG-ZJUUUORDSA-N 2 2 194.282 0.305 20 0 ACADLP C[C@@H]1C[C@H]([NH3+])C[N@H+]1CCn1cccn1 307274747 351999988 /nfs/dbraw/zinc/99/99/88/351999988.db2.gz OIWAXRGGTVOJHG-ZJUUUORDSA-N 2 2 194.282 0.305 20 0 ACADLP C[C@H]1C[C@H]([NH3+])C[N@H+]1CCn1cccn1 307274745 352000106 /nfs/dbraw/zinc/00/01/06/352000106.db2.gz OIWAXRGGTVOJHG-UWVGGRQHSA-N 2 2 194.282 0.305 20 0 ACADLP C[C@H]1C[C@@H]([NH3+])C[N@@H+]1CCn1cccn1 307274746 352000030 /nfs/dbraw/zinc/00/00/30/352000030.db2.gz OIWAXRGGTVOJHG-VHSXEESVSA-N 2 2 194.282 0.305 20 0 ACADLP C[C@H]1C[C@@H]([NH3+])C[N@H+]1CCn1cccn1 307274746 352000031 /nfs/dbraw/zinc/00/00/31/352000031.db2.gz OIWAXRGGTVOJHG-VHSXEESVSA-N 2 2 194.282 0.305 20 0 ACADLP C[C@H]1C[C@H]([NH3+])C[N@@H+]1CCn1cccn1 307274745 352000104 /nfs/dbraw/zinc/00/01/04/352000104.db2.gz OIWAXRGGTVOJHG-UWVGGRQHSA-N 2 2 194.282 0.305 20 0 ACADLP C[C@@H]1C[C@@H]([NH3+])C[N@@H+]1CCn1cccn1 307274744 352000121 /nfs/dbraw/zinc/00/01/21/352000121.db2.gz OIWAXRGGTVOJHG-NXEZZACHSA-N 2 2 194.282 0.305 20 0 ACADLP C[C@@H]1C[C@@H]([NH3+])C[N@H+]1CCn1cccn1 307274744 352000122 /nfs/dbraw/zinc/00/01/22/352000122.db2.gz OIWAXRGGTVOJHG-NXEZZACHSA-N 2 2 194.282 0.305 20 0 ACADLP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1CC(C)(C)[NH3+] 307633117 352027431 /nfs/dbraw/zinc/02/74/31/352027431.db2.gz QTAPXCUVLIWGGO-BDAKNGLRSA-N 3 2 185.315 0.393 20 0 ACADLP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1CC(C)(C)[NH3+] 307633117 352027436 /nfs/dbraw/zinc/02/74/36/352027436.db2.gz QTAPXCUVLIWGGO-BDAKNGLRSA-N 3 2 185.315 0.393 20 0 ACADLP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1CC(C)(C)[NH3+] 307633262 352027615 /nfs/dbraw/zinc/02/76/15/352027615.db2.gz QTAPXCUVLIWGGO-RKDXNWHRSA-N 3 2 185.315 0.393 20 0 ACADLP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1CC(C)(C)[NH3+] 307633262 352027619 /nfs/dbraw/zinc/02/76/19/352027619.db2.gz QTAPXCUVLIWGGO-RKDXNWHRSA-N 3 2 185.315 0.393 20 0 ACADLP C[C@@]1(C[NH3+])CC[N@H+](Cc2ccno2)C1 307676669 352030756 /nfs/dbraw/zinc/03/07/56/352030756.db2.gz JCZGGDQRFGLXHM-JTQLQIEISA-N 2 2 195.266 0.845 20 0 ACADLP C[C@@]1(C[NH3+])CC[N@@H+](Cc2ccno2)C1 307676669 352030757 /nfs/dbraw/zinc/03/07/57/352030757.db2.gz JCZGGDQRFGLXHM-JTQLQIEISA-N 2 2 195.266 0.845 20 0 ACADLP COC[C@H](C)[N@@H+]1CC[C@H]2CC[NH2+][C@H]2C1 307709676 352033978 /nfs/dbraw/zinc/03/39/78/352033978.db2.gz NCWSZNJPQQDGEF-AXFHLTTASA-N 2 2 198.310 0.705 20 0 ACADLP COC[C@H](C)[N@H+]1CC[C@H]2CC[NH2+][C@H]2C1 307709676 352033983 /nfs/dbraw/zinc/03/39/83/352033983.db2.gz NCWSZNJPQQDGEF-AXFHLTTASA-N 2 2 198.310 0.705 20 0 ACADLP COC[C@H](C)[N@@H+]1CC[C@@H]2CC[NH2+][C@H]2C1 307709677 352033997 /nfs/dbraw/zinc/03/39/97/352033997.db2.gz NCWSZNJPQQDGEF-DCAQKATOSA-N 2 2 198.310 0.705 20 0 ACADLP COC[C@H](C)[N@H+]1CC[C@@H]2CC[NH2+][C@H]2C1 307709677 352034000 /nfs/dbraw/zinc/03/40/00/352034000.db2.gz NCWSZNJPQQDGEF-DCAQKATOSA-N 2 2 198.310 0.705 20 0 ACADLP COC[C@H](C)[N@@H+]1CC[C@H]2CC[NH2+][C@@H]2C1 307709679 352034060 /nfs/dbraw/zinc/03/40/60/352034060.db2.gz NCWSZNJPQQDGEF-HBNTYKKESA-N 2 2 198.310 0.705 20 0 ACADLP COC[C@H](C)[N@H+]1CC[C@H]2CC[NH2+][C@@H]2C1 307709679 352034062 /nfs/dbraw/zinc/03/40/62/352034062.db2.gz NCWSZNJPQQDGEF-HBNTYKKESA-N 2 2 198.310 0.705 20 0 ACADLP COC[C@H](C)[N@@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1 307709678 352034151 /nfs/dbraw/zinc/03/41/51/352034151.db2.gz NCWSZNJPQQDGEF-GARJFASQSA-N 2 2 198.310 0.705 20 0 ACADLP COC[C@H](C)[N@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1 307709678 352034152 /nfs/dbraw/zinc/03/41/52/352034152.db2.gz NCWSZNJPQQDGEF-GARJFASQSA-N 2 2 198.310 0.705 20 0 ACADLP CC[N@H+](CC[NH3+])CCc1cn[nH]c1 308228468 352045962 /nfs/dbraw/zinc/04/59/62/352045962.db2.gz RUMIBYSMIPKKLM-UHFFFAOYSA-N 2 2 182.271 0.233 20 0 ACADLP CC[N@@H+](CC[NH3+])CCc1cn[nH]c1 308228468 352045965 /nfs/dbraw/zinc/04/59/65/352045965.db2.gz RUMIBYSMIPKKLM-UHFFFAOYSA-N 2 2 182.271 0.233 20 0 ACADLP C[NH2+][C@H]1CC[N@H+](CCc2cn[nH]c2)C1 308554377 352052760 /nfs/dbraw/zinc/05/27/60/352052760.db2.gz YWMUMKDZXUBOKA-JTQLQIEISA-N 2 2 194.282 0.246 20 0 ACADLP C[NH2+][C@H]1CC[N@@H+](CCc2cn[nH]c2)C1 308554377 352052766 /nfs/dbraw/zinc/05/27/66/352052766.db2.gz YWMUMKDZXUBOKA-JTQLQIEISA-N 2 2 194.282 0.246 20 0 ACADLP C[NH2+][C@@H]1CC[N@H+](CCc2cn[nH]c2)C1 308554378 352053008 /nfs/dbraw/zinc/05/30/08/352053008.db2.gz YWMUMKDZXUBOKA-SNVBAGLBSA-N 2 2 194.282 0.246 20 0 ACADLP C[NH2+][C@@H]1CC[N@@H+](CCc2cn[nH]c2)C1 308554378 352053011 /nfs/dbraw/zinc/05/30/11/352053011.db2.gz YWMUMKDZXUBOKA-SNVBAGLBSA-N 2 2 194.282 0.246 20 0 ACADLP CC(C)([NH3+])C[NH2+][C@H]1CCC[C@H]([NH3+])C1 335448751 352098642 /nfs/dbraw/zinc/09/86/42/352098642.db2.gz RLVHULDRFNYFSK-IUCAKERBSA-N 3 2 185.315 0.583 20 0 ACADLP CC(C)([NH3+])C[NH2+][C@@H]1CCC[C@H]([NH3+])C1 335448750 352098711 /nfs/dbraw/zinc/09/87/11/352098711.db2.gz RLVHULDRFNYFSK-DTWKUNHWSA-N 3 2 185.315 0.583 20 0 ACADLP C[C@@H]1C[N@H+](CCC[NH3+])CC[C@@H]1[NH3+] 335448339 352098728 /nfs/dbraw/zinc/09/87/28/352098728.db2.gz NFPSHESGZIYBPI-BDAKNGLRSA-N 3 2 171.288 0.004 20 0 ACADLP C[C@@H]1C[N@@H+](CCC[NH3+])CC[C@@H]1[NH3+] 335448339 352098730 /nfs/dbraw/zinc/09/87/30/352098730.db2.gz NFPSHESGZIYBPI-BDAKNGLRSA-N 3 2 171.288 0.004 20 0 ACADLP CC(C)([NH3+])C[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 335448752 352098845 /nfs/dbraw/zinc/09/88/45/352098845.db2.gz RLVHULDRFNYFSK-RKDXNWHRSA-N 3 2 185.315 0.583 20 0 ACADLP CC(C)([NH3+])C[NH2+][C@H]1CCC[C@@H]([NH3+])C1 335448749 352098999 /nfs/dbraw/zinc/09/89/99/352098999.db2.gz RLVHULDRFNYFSK-BDAKNGLRSA-N 3 2 185.315 0.583 20 0 ACADLP C[C@@H]1C[N@H+](CCC[NH3+])CC[C@H]1[NH3+] 335448342 352099082 /nfs/dbraw/zinc/09/90/82/352099082.db2.gz NFPSHESGZIYBPI-RKDXNWHRSA-N 3 2 171.288 0.004 20 0 ACADLP C[C@@H]1C[N@@H+](CCC[NH3+])CC[C@H]1[NH3+] 335448342 352099085 /nfs/dbraw/zinc/09/90/85/352099085.db2.gz NFPSHESGZIYBPI-RKDXNWHRSA-N 3 2 171.288 0.004 20 0 ACADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CCF 335498911 352101101 /nfs/dbraw/zinc/10/11/01/352101101.db2.gz YWDRBSPRAYTUDO-SFYZADRCSA-N 2 2 160.236 0.544 20 0 ACADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CCF 335498909 352101443 /nfs/dbraw/zinc/10/14/43/352101443.db2.gz YWDRBSPRAYTUDO-HTQZYQBOSA-N 2 2 160.236 0.544 20 0 ACADLP c1cn(CC[N@@H+]2CCCOCC2)c[nH+]1 336264871 352133074 /nfs/dbraw/zinc/13/30/74/352133074.db2.gz APYGLFRVJBOERN-UHFFFAOYSA-N 2 2 195.266 0.605 20 0 ACADLP c1cn(CC[N@H+]2CCCOCC2)c[nH+]1 336264871 352133077 /nfs/dbraw/zinc/13/30/77/352133077.db2.gz APYGLFRVJBOERN-UHFFFAOYSA-N 2 2 195.266 0.605 20 0 ACADLP OCC[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 336552551 352145483 /nfs/dbraw/zinc/14/54/83/352145483.db2.gz HMNCZARUBQBSGF-VIFPVBQESA-N 2 2 195.266 0.581 20 0 ACADLP OCC[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 336552551 352145488 /nfs/dbraw/zinc/14/54/88/352145488.db2.gz HMNCZARUBQBSGF-VIFPVBQESA-N 2 2 195.266 0.581 20 0 ACADLP OCC[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 336552550 352145506 /nfs/dbraw/zinc/14/55/06/352145506.db2.gz HMNCZARUBQBSGF-SECBINFHSA-N 2 2 195.266 0.581 20 0 ACADLP OCC[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 336552550 352145509 /nfs/dbraw/zinc/14/55/09/352145509.db2.gz HMNCZARUBQBSGF-SECBINFHSA-N 2 2 195.266 0.581 20 0 ACADLP [NH3+][C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2 404655384 352156692 /nfs/dbraw/zinc/15/66/92/352156692.db2.gz PAGKXEYJDCSJNN-NXEZZACHSA-N 2 2 196.294 0.589 20 0 ACADLP C1CO[C@]2(C[NH2+]1)C[NH+]1CCC2CC1 409434298 352162034 /nfs/dbraw/zinc/16/20/34/352162034.db2.gz WJQNBDYQJBSIBY-SNVBAGLBSA-N 2 2 182.267 0.071 20 0 ACADLP C1CO[C@@]2(C[NH2+]1)C[NH+]1CCC2CC1 409434297 352162054 /nfs/dbraw/zinc/16/20/54/352162054.db2.gz WJQNBDYQJBSIBY-JTQLQIEISA-N 2 2 182.267 0.071 20 0 ACADLP CCC[N@H+](CC)[C@H]1C[NH2+]CC[C@@H]1O 536952622 352191423 /nfs/dbraw/zinc/19/14/23/352191423.db2.gz CUFZSOJHGSJVHD-UWVGGRQHSA-N 2 2 186.299 0.441 20 0 ACADLP CCC[N@@H+](CC)[C@H]1C[NH2+]CC[C@@H]1O 536952622 352191424 /nfs/dbraw/zinc/19/14/24/352191424.db2.gz CUFZSOJHGSJVHD-UWVGGRQHSA-N 2 2 186.299 0.441 20 0 ACADLP CC1CC[NH+]([C@H]2C[NH2+]CC[C@@H]2O)CC1 536952551 352191522 /nfs/dbraw/zinc/19/15/22/352191522.db2.gz CKHJOIBENHPIAZ-QWRGUYRKSA-N 2 2 198.310 0.441 20 0 ACADLP CCCC[NH2+][C@H]1C[NH2+]CC[C@@H]1O 536954132 352192053 /nfs/dbraw/zinc/19/20/53/352192053.db2.gz JNJNNWYFWFEWIH-IUCAKERBSA-N 2 2 172.272 0.099 20 0 ACADLP CC(C)[N@H+](C)[C@H]1C[NH2+]CC[C@@H]1O 536955837 352193146 /nfs/dbraw/zinc/19/31/46/352193146.db2.gz VAKPLINBIYRIPZ-IUCAKERBSA-N 2 2 172.272 0.049 20 0 ACADLP CC(C)[N@@H+](C)[C@H]1C[NH2+]CC[C@@H]1O 536955837 352193148 /nfs/dbraw/zinc/19/31/48/352193148.db2.gz VAKPLINBIYRIPZ-IUCAKERBSA-N 2 2 172.272 0.049 20 0 ACADLP CC(C)(C)[NH2+][C@H]1C[NH2+]CC[C@@H]1O 536955849 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STKQSMLYYMXPKI-QMMMGPOBSA-N 2 2 190.237 0.937 20 0 ACADLP FC1(F)C[C@H]1C[N@H+]1CCC[NH2+]CC1 575493988 352375648 /nfs/dbraw/zinc/37/56/48/352375648.db2.gz STKQSMLYYMXPKI-QMMMGPOBSA-N 2 2 190.237 0.937 20 0 ACADLP FC1(F)C[C@@H]1C[N@@H+]1CCC[NH2+]CC1 575493981 352375769 /nfs/dbraw/zinc/37/57/69/352375769.db2.gz STKQSMLYYMXPKI-MRVPVSSYSA-N 2 2 190.237 0.937 20 0 ACADLP FC1(F)C[C@@H]1C[N@H+]1CCC[NH2+]CC1 575493981 352375772 /nfs/dbraw/zinc/37/57/72/352375772.db2.gz STKQSMLYYMXPKI-MRVPVSSYSA-N 2 2 190.237 0.937 20 0 ACADLP CC1([NH3+])CC[NH+](CCF)CC1 575497488 352390326 /nfs/dbraw/zinc/39/03/26/352390326.db2.gz IGMGRJNYLMKWBX-UHFFFAOYSA-N 2 2 160.236 0.769 20 0 ACADLP C[C@H]1C[N@@H+](CC[NH3+])CC[C@@H](C)O1 575500628 352408289 /nfs/dbraw/zinc/40/82/89/352408289.db2.gz VQZKQLRHAYQPCQ-BDAKNGLRSA-N 2 2 172.272 0.444 20 0 ACADLP C[C@H]1C[N@H+](CC[NH3+])CC[C@@H](C)O1 575500628 352408294 /nfs/dbraw/zinc/40/82/94/352408294.db2.gz VQZKQLRHAYQPCQ-BDAKNGLRSA-N 2 2 172.272 0.444 20 0 ACADLP [NH3+]CC[N@@H+]1CC[C@H]2C[C@H]2C1 575501259 352411205 /nfs/dbraw/zinc/41/12/05/352411205.db2.gz ZWYVWTLONQNLRH-YUMQZZPRSA-N 2 2 140.230 0.287 20 0 ACADLP [NH3+]CC[N@H+]1CC[C@H]2C[C@H]2C1 575501259 352411208 /nfs/dbraw/zinc/41/12/08/352411208.db2.gz ZWYVWTLONQNLRH-YUMQZZPRSA-N 2 2 140.230 0.287 20 0 ACADLP C1=C[C@@H]([NH2+][C@@H]2CC[NH2+]C2)CC1 575501588 352412671 /nfs/dbraw/zinc/41/26/71/352412671.db2.gz NCMPOLMZJSVLLC-RKDXNWHRSA-N 2 2 152.241 0.657 20 0 ACADLP C1=C[C@H]([NH2+][C@@H]2CC[NH2+]C2)CC1 575501577 352412686 /nfs/dbraw/zinc/41/26/86/352412686.db2.gz NCMPOLMZJSVLLC-DTWKUNHWSA-N 2 2 152.241 0.657 20 0 ACADLP C1=C[C@H]([NH2+][C@H]2CC[NH2+]C2)CC1 575501585 352412710 /nfs/dbraw/zinc/41/27/10/352412710.db2.gz NCMPOLMZJSVLLC-IUCAKERBSA-N 2 2 152.241 0.657 20 0 ACADLP C1=C[C@@H]([NH2+][C@H]2CC[NH2+]C2)CC1 575501575 352412931 /nfs/dbraw/zinc/41/29/31/352412931.db2.gz NCMPOLMZJSVLLC-BDAKNGLRSA-N 2 2 152.241 0.657 20 0 ACADLP C[C@@]12C[NH2+]C[C@@H]1C[N@H+](CCF)C2 575550426 352638140 /nfs/dbraw/zinc/63/81/40/352638140.db2.gz RYBOAXWBQOBKFK-BDAKNGLRSA-N 2 2 172.247 0.497 20 0 ACADLP C[C@@]12C[NH2+]C[C@@H]1C[N@@H+](CCF)C2 575550426 352638142 /nfs/dbraw/zinc/63/81/42/352638142.db2.gz RYBOAXWBQOBKFK-BDAKNGLRSA-N 2 2 172.247 0.497 20 0 ACADLP c1c(C2C[NH2+]C2)[nH+]c2n1CCCC2 575581749 352784331 /nfs/dbraw/zinc/78/43/31/352784331.db2.gz XEFWQSOVDCTIEP-UHFFFAOYSA-N 2 2 177.251 0.906 20 0 ACADLP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+]CCF 643077237 352936493 /nfs/dbraw/zinc/93/64/93/352936493.db2.gz JIHHQCXXAULIOR-IWSPIJDZSA-N 2 2 174.263 0.932 20 0 ACADLP COCCC[N@@H+]1CC[C@@H]2CC[NH2+][C@H]2C1 643067377 352936499 /nfs/dbraw/zinc/93/64/99/352936499.db2.gz ZWOAKDJELVBOON-QWRGUYRKSA-N 2 2 198.310 0.707 20 0 ACADLP COCCC[N@H+]1CC[C@@H]2CC[NH2+][C@H]2C1 643067377 352936501 /nfs/dbraw/zinc/93/65/01/352936501.db2.gz ZWOAKDJELVBOON-QWRGUYRKSA-N 2 2 198.310 0.707 20 0 ACADLP C[C@@H]1[NH2+]CC[C@@H](C)[C@@H]1[NH2+]CCF 643077238 352936516 /nfs/dbraw/zinc/93/65/16/352936516.db2.gz JIHHQCXXAULIOR-VGMNWLOBSA-N 2 2 174.263 0.932 20 0 ACADLP CCOCC[N@@H+]1CC[C@@H]2CC[NH2+][C@H]2C1 643069176 352936703 /nfs/dbraw/zinc/93/67/03/352936703.db2.gz PEWHNOKCPSMJNS-QWRGUYRKSA-N 2 2 198.310 0.707 20 0 ACADLP CCOCC[N@H+]1CC[C@@H]2CC[NH2+][C@H]2C1 643069176 352936704 /nfs/dbraw/zinc/93/67/04/352936704.db2.gz PEWHNOKCPSMJNS-QWRGUYRKSA-N 2 2 198.310 0.707 20 0 ACADLP CCOCC[N@@H+]1CC[C@H]2CC[NH2+][C@@H]2C1 643069174 352936709 /nfs/dbraw/zinc/93/67/09/352936709.db2.gz PEWHNOKCPSMJNS-GHMZBOCLSA-N 2 2 198.310 0.707 20 0 ACADLP CCOCC[N@H+]1CC[C@H]2CC[NH2+][C@@H]2C1 643069174 352936710 /nfs/dbraw/zinc/93/67/10/352936710.db2.gz PEWHNOKCPSMJNS-GHMZBOCLSA-N 2 2 198.310 0.707 20 0 ACADLP C[C@@H]1C[N@H+](CCOCC2CC2)C[C@H]1[NH3+] 643074080 352936720 /nfs/dbraw/zinc/93/67/20/352936720.db2.gz DVEVHKUSCGLTQU-MWLCHTKSSA-N 2 2 198.310 0.692 20 0 ACADLP C[C@@H]1C[N@@H+](CCOCC2CC2)C[C@H]1[NH3+] 643074080 352936721 /nfs/dbraw/zinc/93/67/21/352936721.db2.gz DVEVHKUSCGLTQU-MWLCHTKSSA-N 2 2 198.310 0.692 20 0 ACADLP COCCC[N@@H+]1CC[C@H]2CC[NH2+][C@H]2C1 643067376 352936789 /nfs/dbraw/zinc/93/67/89/352936789.db2.gz ZWOAKDJELVBOON-MNOVXSKESA-N 2 2 198.310 0.707 20 0 ACADLP COCCC[N@H+]1CC[C@H]2CC[NH2+][C@H]2C1 643067376 352936790 /nfs/dbraw/zinc/93/67/90/352936790.db2.gz ZWOAKDJELVBOON-MNOVXSKESA-N 2 2 198.310 0.707 20 0 ACADLP CCOCC[N@@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1 643069177 352936794 /nfs/dbraw/zinc/93/67/94/352936794.db2.gz PEWHNOKCPSMJNS-WDEREUQCSA-N 2 2 198.310 0.707 20 0 ACADLP CCOCC[N@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1 643069177 352936795 /nfs/dbraw/zinc/93/67/95/352936795.db2.gz PEWHNOKCPSMJNS-WDEREUQCSA-N 2 2 198.310 0.707 20 0 ACADLP COCCC[N@@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1 643067378 352936860 /nfs/dbraw/zinc/93/68/60/352936860.db2.gz ZWOAKDJELVBOON-WDEREUQCSA-N 2 2 198.310 0.707 20 0 ACADLP COCCC[N@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1 643067378 352936861 /nfs/dbraw/zinc/93/68/61/352936861.db2.gz ZWOAKDJELVBOON-WDEREUQCSA-N 2 2 198.310 0.707 20 0 ACADLP CCOCC[N@@H+]1CC[C@H]2CC[NH2+][C@H]2C1 643069175 352936884 /nfs/dbraw/zinc/93/68/84/352936884.db2.gz PEWHNOKCPSMJNS-MNOVXSKESA-N 2 2 198.310 0.707 20 0 ACADLP CCOCC[N@H+]1CC[C@H]2CC[NH2+][C@H]2C1 643069175 352936885 /nfs/dbraw/zinc/93/68/85/352936885.db2.gz PEWHNOKCPSMJNS-MNOVXSKESA-N 2 2 198.310 0.707 20 0 ACADLP C[C@@H]1CC[NH2+][C@H](C)[C@H]1[NH2+]CCF 643077235 352936896 /nfs/dbraw/zinc/93/68/96/352936896.db2.gz JIHHQCXXAULIOR-HLTSFMKQSA-N 2 2 174.263 0.932 20 0 ACADLP C[C@@H]1[NH2+]CC[C@@H](C)[C@H]1[NH2+]CCF 643077236 352936922 /nfs/dbraw/zinc/93/69/22/352936922.db2.gz JIHHQCXXAULIOR-HRDYMLBCSA-N 2 2 174.263 0.932 20 0 ACADLP COCCC[N@@H+]1CC[C@H]2CC[NH2+][C@@H]2C1 643067375 352936940 /nfs/dbraw/zinc/93/69/40/352936940.db2.gz ZWOAKDJELVBOON-GHMZBOCLSA-N 2 2 198.310 0.707 20 0 ACADLP COCCC[N@H+]1CC[C@H]2CC[NH2+][C@@H]2C1 643067375 352936943 /nfs/dbraw/zinc/93/69/43/352936943.db2.gz ZWOAKDJELVBOON-GHMZBOCLSA-N 2 2 198.310 0.707 20 0 ACADLP C[C@H]1C[C@@H](C)[C@@H](C[NH3+])C[N@H+]1CCC[NH3+] 643427649 352950837 /nfs/dbraw/zinc/95/08/37/352950837.db2.gz JPEUDWUSJVGTBO-VWYCJHECSA-N 3 2 199.342 0.640 20 0 ACADLP C[C@H]1C[C@@H](C)[C@@H](C[NH3+])C[N@@H+]1CCC[NH3+] 643427649 352950838 /nfs/dbraw/zinc/95/08/38/352950838.db2.gz JPEUDWUSJVGTBO-VWYCJHECSA-N 3 2 199.342 0.640 20 0 ACADLP C[C@@H]1C[C@@H](C)[N@H+](CCC[NH3+])C[C@@H]1C[NH3+] 643427647 352950908 /nfs/dbraw/zinc/95/09/08/352950908.db2.gz JPEUDWUSJVGTBO-MXWKQRLJSA-N 3 2 199.342 0.640 20 0 ACADLP C[C@@H]1C[C@@H](C)[N@@H+](CCC[NH3+])C[C@@H]1C[NH3+] 643427647 352950910 /nfs/dbraw/zinc/95/09/10/352950910.db2.gz JPEUDWUSJVGTBO-MXWKQRLJSA-N 3 2 199.342 0.640 20 0 ACADLP C[C@H]1C[C@@H](C)[C@H](C[NH3+])C[N@H+]1CCC[NH3+] 643427648 352951141 /nfs/dbraw/zinc/95/11/41/352951141.db2.gz JPEUDWUSJVGTBO-OUAUKWLOSA-N 3 2 199.342 0.640 20 0 ACADLP C[C@H]1C[C@@H](C)[C@H](C[NH3+])C[N@@H+]1CCC[NH3+] 643427648 352951144 /nfs/dbraw/zinc/95/11/44/352951144.db2.gz JPEUDWUSJVGTBO-OUAUKWLOSA-N 3 2 199.342 0.640 20 0 ACADLP C[C@@H]1C[C@@H](C)[N@H+](CCC[NH3+])C[C@H]1C[NH3+] 643427646 352951412 /nfs/dbraw/zinc/95/14/12/352951412.db2.gz JPEUDWUSJVGTBO-GMTAPVOTSA-N 3 2 199.342 0.640 20 0 ACADLP C[C@@H]1C[C@@H](C)[N@@H+](CCC[NH3+])C[C@H]1C[NH3+] 643427646 352951416 /nfs/dbraw/zinc/95/14/16/352951416.db2.gz JPEUDWUSJVGTBO-GMTAPVOTSA-N 3 2 199.342 0.640 20 0 ACADLP CCC[NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1 643454185 352952790 /nfs/dbraw/zinc/95/27/90/352952790.db2.gz RFDVMOKDABMMDA-WDEREUQCSA-N 2 2 198.310 0.753 20 0 ACADLP CCC[NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1 643454184 352952817 /nfs/dbraw/zinc/95/28/17/352952817.db2.gz RFDVMOKDABMMDA-QWRGUYRKSA-N 2 2 198.310 0.753 20 0 ACADLP CCC[NH2+][C@@H](C1CC1)[C@H]1C[NH2+]CCO1 643454183 352952852 /nfs/dbraw/zinc/95/28/52/352952852.db2.gz RFDVMOKDABMMDA-MNOVXSKESA-N 2 2 198.310 0.753 20 0 ACADLP CCC[NH2+][C@H](C1CC1)[C@H]1C[NH2+]CCO1 643454182 352952879 /nfs/dbraw/zinc/95/28/79/352952879.db2.gz RFDVMOKDABMMDA-GHMZBOCLSA-N 2 2 198.310 0.753 20 0 ACADLP C1CO[C@H]([C@H]([NH2+]C2CC2)C2CC2)C[NH2+]1 643454277 352953568 /nfs/dbraw/zinc/95/35/68/352953568.db2.gz ZVPAEQZGNGNIKP-WDEREUQCSA-N 2 2 196.294 0.505 20 0 ACADLP C1CO[C@@H]([C@@H]([NH2+]C2CC2)C2CC2)C[NH2+]1 643454275 352953626 /nfs/dbraw/zinc/95/36/26/352953626.db2.gz ZVPAEQZGNGNIKP-MNOVXSKESA-N 2 2 196.294 0.505 20 0 ACADLP C1CO[C@H]([C@@H]([NH2+]C2CC2)C2CC2)C[NH2+]1 643454276 352953715 /nfs/dbraw/zinc/95/37/15/352953715.db2.gz ZVPAEQZGNGNIKP-QWRGUYRKSA-N 2 2 196.294 0.505 20 0 ACADLP C1CO[C@@H]([C@H]([NH2+]C2CC2)C2CC2)C[NH2+]1 643454274 352953796 /nfs/dbraw/zinc/95/37/96/352953796.db2.gz ZVPAEQZGNGNIKP-GHMZBOCLSA-N 2 2 196.294 0.505 20 0 ACADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CCC[NH+](C)C 643455634 352954208 /nfs/dbraw/zinc/95/42/08/352954208.db2.gz PIWBYASQSZREKG-GHMZBOCLSA-N 3 2 199.342 0.526 20 0 ACADLP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]CCC[NH+](C)C 643455636 352954324 /nfs/dbraw/zinc/95/43/24/352954324.db2.gz PIWBYASQSZREKG-QWRGUYRKSA-N 3 2 199.342 0.526 20 0 ACADLP C[C@H]1CC[NH2+]C[C@H]1[NH2+]CCC[NH+](C)C 643455637 352954400 /nfs/dbraw/zinc/95/44/00/352954400.db2.gz PIWBYASQSZREKG-WDEREUQCSA-N 3 2 199.342 0.526 20 0 ACADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]C[C@H]1CCCO1 643455762 352954424 /nfs/dbraw/zinc/95/44/24/352954424.db2.gz UYRZYUWDJQIQQJ-MXWKQRLJSA-N 2 2 198.310 0.753 20 0 ACADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CCC[NH+](C)C 643455635 352954433 /nfs/dbraw/zinc/95/44/33/352954433.db2.gz PIWBYASQSZREKG-MNOVXSKESA-N 3 2 199.342 0.526 20 0 ACADLP C[C@H]([NH3+])C[C@H](C)[NH2+]CC[NH+]1CCCC1 643456709 352954451 /nfs/dbraw/zinc/95/44/51/352954451.db2.gz LLVAYJSLSDPJNV-QWRGUYRKSA-N 3 2 199.342 0.798 20 0 ACADLP COCC[NH2+][C@@H]1C[NH2+]CC[C@H]1C 643455643 352954466 /nfs/dbraw/zinc/95/44/66/352954466.db2.gz RVRIBALXJFPURT-RKDXNWHRSA-N 2 2 172.272 0.220 20 0 ACADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]C[C@@H]1CCCO1 643455764 352954516 /nfs/dbraw/zinc/95/45/16/352954516.db2.gz UYRZYUWDJQIQQJ-VWYCJHECSA-N 2 2 198.310 0.753 20 0 ACADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]C[C@@H]1CCCO1 643455763 352954547 /nfs/dbraw/zinc/95/45/47/352954547.db2.gz UYRZYUWDJQIQQJ-OUAUKWLOSA-N 2 2 198.310 0.753 20 0 ACADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]C[C@H]1CCCO1 643455761 352954649 /nfs/dbraw/zinc/95/46/49/352954649.db2.gz UYRZYUWDJQIQQJ-GMTAPVOTSA-N 2 2 198.310 0.753 20 0 ACADLP C[C@@H]([NH3+])C[C@@H](C)[NH2+]CC[NH+]1CCCC1 643456707 352954675 /nfs/dbraw/zinc/95/46/75/352954675.db2.gz LLVAYJSLSDPJNV-GHMZBOCLSA-N 3 2 199.342 0.798 20 0 ACADLP C[C@@H](C[C@@H](C)[NH3+])[NH2+]CC[NH+]1CCCC1 643456708 352954773 /nfs/dbraw/zinc/95/47/73/352954773.db2.gz LLVAYJSLSDPJNV-MNOVXSKESA-N 3 2 199.342 0.798 20 0 ACADLP COCC[NH2+][C@@H]1C[NH2+]CC[C@@H]1C 643455641 352954799 /nfs/dbraw/zinc/95/47/99/352954799.db2.gz RVRIBALXJFPURT-DTWKUNHWSA-N 2 2 172.272 0.220 20 0 ACADLP C[C@H]([NH3+])C[C@@H](C)[NH2+]CC[NH+]1CCCC1 643456710 352954887 /nfs/dbraw/zinc/95/48/87/352954887.db2.gz LLVAYJSLSDPJNV-WDEREUQCSA-N 3 2 199.342 0.798 20 0 ACADLP COCC[NH2+][C@H]1C[NH2+]CC[C@H]1C 643455640 352954900 /nfs/dbraw/zinc/95/49/00/352954900.db2.gz RVRIBALXJFPURT-BDAKNGLRSA-N 2 2 172.272 0.220 20 0 ACADLP COCC1([NH2+][C@H](C)[C@H]2CCC[NH2+]2)CC1 643470288 352958773 /nfs/dbraw/zinc/95/87/73/352958773.db2.gz XQKKPFUNTKMSDJ-NXEZZACHSA-N 2 2 198.310 0.896 20 0 ACADLP COCC1([NH2+][C@@H](C)[C@@H]2CCC[NH2+]2)CC1 643470289 352958939 /nfs/dbraw/zinc/95/89/39/352958939.db2.gz XQKKPFUNTKMSDJ-UWVGGRQHSA-N 2 2 198.310 0.896 20 0 ACADLP COCC1([NH2+][C@@H](C)[C@H]2CCC[NH2+]2)CC1 643470290 352959066 /nfs/dbraw/zinc/95/90/66/352959066.db2.gz XQKKPFUNTKMSDJ-VHSXEESVSA-N 2 2 198.310 0.896 20 0 ACADLP COCC1([NH2+][C@H](C)[C@@H]2CCC[NH2+]2)CC1 643470291 352959217 /nfs/dbraw/zinc/95/92/17/352959217.db2.gz XQKKPFUNTKMSDJ-ZJUUUORDSA-N 2 2 198.310 0.896 20 0 ACADLP C[C@@H]([NH2+][C@H]1CCOC1)[C@@H]1CCCC[NH2+]1 643475972 352960587 /nfs/dbraw/zinc/96/05/87/352960587.db2.gz NWZSIRYIERCNEW-VWYCJHECSA-N 2 2 198.310 0.896 20 0 ACADLP C[C@@H]([NH2+][C@H]1CCOC1)[C@H]1CCCC[NH2+]1 643475970 352960756 /nfs/dbraw/zinc/96/07/56/352960756.db2.gz NWZSIRYIERCNEW-OUAUKWLOSA-N 2 2 198.310 0.896 20 0 ACADLP C[C@@H]([NH2+][C@@H]1CCOC1)[C@H]1CCCC[NH2+]1 643475968 352960821 /nfs/dbraw/zinc/96/08/21/352960821.db2.gz NWZSIRYIERCNEW-GMTAPVOTSA-N 2 2 198.310 0.896 20 0 ACADLP C[C@@H]([NH2+][C@@H]1CCOC1)[C@@H]1CCCC[NH2+]1 643475969 352960899 /nfs/dbraw/zinc/96/08/99/352960899.db2.gz NWZSIRYIERCNEW-MXWKQRLJSA-N 2 2 198.310 0.896 20 0 ACADLP CO[C@H](C)C[NH2+][C@H]1C[NH2+]CC[C@H]1C 643483493 352962488 /nfs/dbraw/zinc/96/24/88/352962488.db2.gz RZEYOTPKMILXFV-BBBLOLIVSA-N 2 2 186.299 0.609 20 0 ACADLP CO[C@H](C)C[NH2+][C@@H]1C[NH2+]CC[C@@H]1C 643483494 352962703 /nfs/dbraw/zinc/96/27/03/352962703.db2.gz RZEYOTPKMILXFV-IVZWLZJFSA-N 2 2 186.299 0.609 20 0 ACADLP CO[C@H](C)C[NH2+][C@H]1C[NH2+]CC[C@@H]1C 643483492 352962779 /nfs/dbraw/zinc/96/27/79/352962779.db2.gz RZEYOTPKMILXFV-AEJSXWLSSA-N 2 2 186.299 0.609 20 0 ACADLP CO[C@H](C)C[NH2+][C@@H]1C[NH2+]CC[C@H]1C 643483495 352962808 /nfs/dbraw/zinc/96/28/08/352962808.db2.gz RZEYOTPKMILXFV-OPRDCNLKSA-N 2 2 186.299 0.609 20 0 ACADLP CC[C@H](O)C[NH2+][C@@H]1C[NH2+]CC[C@H]1C 643490646 352964540 /nfs/dbraw/zinc/96/45/40/352964540.db2.gz XXAITYXISZGDRM-KXUCPTDWSA-N 2 2 186.299 0.345 20 0 ACADLP CC[C@H](O)C[NH2+][C@H]1C[NH2+]CC[C@@H]1C 643490645 352964708 /nfs/dbraw/zinc/96/47/08/352964708.db2.gz XXAITYXISZGDRM-GUBZILKMSA-N 2 2 186.299 0.345 20 0 ACADLP CC[C@H](O)C[NH2+][C@@H]1C[NH2+]CC[C@@H]1C 643490647 352964748 /nfs/dbraw/zinc/96/47/48/352964748.db2.gz XXAITYXISZGDRM-LPEHRKFASA-N 2 2 186.299 0.345 20 0 ACADLP CC[C@H](O)C[NH2+][C@H]1C[NH2+]CC[C@H]1C 643490648 352964768 /nfs/dbraw/zinc/96/47/68/352964768.db2.gz XXAITYXISZGDRM-UTLUCORTSA-N 2 2 186.299 0.345 20 0 ACADLP C[C@H]1CC[NH2+]C[C@H]1[NH2+]C[C@H]1CCCO1 643492159 352966180 /nfs/dbraw/zinc/96/61/80/352966180.db2.gz UYRZYUWDJQIQQJ-HBNTYKKESA-N 2 2 198.310 0.753 20 0 ACADLP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]C[C@H]1CCCO1 643492157 352966335 /nfs/dbraw/zinc/96/63/35/352966335.db2.gz UYRZYUWDJQIQQJ-AXFHLTTASA-N 2 2 198.310 0.753 20 0 ACADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+][C@H]1C[C@@H](O)C1 643493602 352967270 /nfs/dbraw/zinc/96/72/70/352967270.db2.gz QQJHNUFUMJZJCA-DOLQZWNJSA-N 2 2 184.283 0.097 20 0 ACADLP C[C@H]1CC[NH2+]C[C@H]1[NH2+][C@H]1C[C@@H](O)C1 643493601 352967335 /nfs/dbraw/zinc/96/73/35/352967335.db2.gz QQJHNUFUMJZJCA-AXTSPUMRSA-N 2 2 184.283 0.097 20 0 ACADLP C[C@H]1CC[NH2+]C[C@@H]1[NH2+][C@H]1C[C@@H](O)C1 643493604 352967534 /nfs/dbraw/zinc/96/75/34/352967534.db2.gz QQJHNUFUMJZJCA-QEYWKRMJSA-N 2 2 184.283 0.097 20 0 ACADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+][C@H]1C[C@@H](O)C1 643493603 352967544 /nfs/dbraw/zinc/96/75/44/352967544.db2.gz QQJHNUFUMJZJCA-IMSYWVGJSA-N 2 2 184.283 0.097 20 0 ACADLP CCO[C@@H]1CCC[C@H]1[NH2+][C@H]1CC[NH2+]C1 643493614 352968077 /nfs/dbraw/zinc/96/80/77/352968077.db2.gz TXZLIYHFKWCFTP-HBNTYKKESA-N 2 2 198.310 0.896 20 0 ACADLP CCO[C@@H]1CCC[C@H]1[NH2+][C@@H]1CC[NH2+]C1 643493613 352968607 /nfs/dbraw/zinc/96/86/07/352968607.db2.gz TXZLIYHFKWCFTP-GMTAPVOTSA-N 2 2 198.310 0.896 20 0 ACADLP CO[C@H](C)[C@H](C)[NH2+][C@H]1CCC[NH2+]C1 643497065 352970952 /nfs/dbraw/zinc/97/09/52/352970952.db2.gz TYIQOLAIJKBILC-AEJSXWLSSA-N 2 2 186.299 0.751 20 0 ACADLP CO[C@H](C)[C@@H](C)[NH2+][C@H]1CCC[NH2+]C1 643497067 352970971 /nfs/dbraw/zinc/97/09/71/352970971.db2.gz TYIQOLAIJKBILC-BBBLOLIVSA-N 2 2 186.299 0.751 20 0 ACADLP CO[C@H](C)[C@@H](C)[NH2+][C@@H]1CCC[NH2+]C1 643497069 352971435 /nfs/dbraw/zinc/97/14/35/352971435.db2.gz TYIQOLAIJKBILC-OPRDCNLKSA-N 2 2 186.299 0.751 20 0 ACADLP C[NH2+]CCC[NH2+][C@H]1CCCCC[C@@H]1[NH3+] 643498644 352972994 /nfs/dbraw/zinc/97/29/94/352972994.db2.gz QFWQPNCAXLCORK-QWRGUYRKSA-N 3 2 199.342 0.846 20 0 ACADLP C[NH2+]CCC[NH2+][C@@H]1CCCCC[C@H]1[NH3+] 643498642 352973146 /nfs/dbraw/zinc/97/31/46/352973146.db2.gz QFWQPNCAXLCORK-GHMZBOCLSA-N 3 2 199.342 0.846 20 0 ACADLP C[NH2+]CCC[NH2+][C@H]1CCCCC[C@H]1[NH3+] 643498643 352973313 /nfs/dbraw/zinc/97/33/13/352973313.db2.gz QFWQPNCAXLCORK-MNOVXSKESA-N 3 2 199.342 0.846 20 0 ACADLP C[C@H]([NH3+])C[C@@H](C)[NH2+]C[C@H]1CCCC[NH2+]1 643502585 352973993 /nfs/dbraw/zinc/97/39/93/352973993.db2.gz KQOHXPCVRBQEIL-HBNTYKKESA-N 3 2 199.342 0.844 20 0 ACADLP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@@H]1CCCC[NH2+]1 643502583 352974179 /nfs/dbraw/zinc/97/41/79/352974179.db2.gz KQOHXPCVRBQEIL-DCAQKATOSA-N 3 2 199.342 0.844 20 0 ACADLP C[C@H]([NH3+])C[C@@H](C)[NH2+]C[C@@H]1CCCC[NH2+]1 643502582 352974252 /nfs/dbraw/zinc/97/42/52/352974252.db2.gz KQOHXPCVRBQEIL-AXFHLTTASA-N 3 2 199.342 0.844 20 0 ACADLP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@H]1CCCC[NH2+]1 643502584 352974347 /nfs/dbraw/zinc/97/43/47/352974347.db2.gz KQOHXPCVRBQEIL-GARJFASQSA-N 3 2 199.342 0.844 20 0 ACADLP C[NH2+]CC[NH2+][C@@H](COC)C(C)C 643504413 352975169 /nfs/dbraw/zinc/97/51/69/352975169.db2.gz CPJGWWWPVJYRAZ-VIFPVBQESA-N 2 2 174.288 0.466 20 0 ACADLP C[NH2+]CC[NH2+][C@H](COC)C(C)C 643504412 352975275 /nfs/dbraw/zinc/97/52/75/352975275.db2.gz CPJGWWWPVJYRAZ-SECBINFHSA-N 2 2 174.288 0.466 20 0 ACADLP C[NH2+]CC[NH2+][C@@H]1C[C@H](C)O[C@@H]1C 643504601 352976939 /nfs/dbraw/zinc/97/69/39/352976939.db2.gz MVZSKVDEGRYXDZ-DJLDLDEBSA-N 2 2 172.272 0.361 20 0 ACADLP C[NH2+]CC[NH2+][C@@H]1C[C@@H](C)O[C@@H]1C 643504603 352977028 /nfs/dbraw/zinc/97/70/28/352977028.db2.gz MVZSKVDEGRYXDZ-IWSPIJDZSA-N 2 2 172.272 0.361 20 0 ACADLP C[NH2+]CC[NH2+][C@@H]1C[C@H](C)O[C@H]1C 643504604 352977084 /nfs/dbraw/zinc/97/70/84/352977084.db2.gz MVZSKVDEGRYXDZ-XHNCKOQMSA-N 2 2 172.272 0.361 20 0 ACADLP C[NH2+]CC[NH2+][C@@H]1C[C@@H](C)O[C@H]1C 643504602 352977181 /nfs/dbraw/zinc/97/71/81/352977181.db2.gz MVZSKVDEGRYXDZ-HRDYMLBCSA-N 2 2 172.272 0.361 20 0 ACADLP CC[NH2+]CC[NH2+][C@H](C)[C@@H](C)OC 643505221 352977758 /nfs/dbraw/zinc/97/77/58/352977758.db2.gz JZDFOFBFEBYEPY-RKDXNWHRSA-N 2 2 174.288 0.609 20 0 ACADLP CC[NH2+]CC[NH2+][C@@H]1C[C@H](C)O[C@@H]1C 643505511 352977773 /nfs/dbraw/zinc/97/77/73/352977773.db2.gz XOFBLPGRAXOIAT-IVZWLZJFSA-N 2 2 186.299 0.751 20 0 ACADLP CC[NH2+]CC[NH2+][C@H](C)[C@H](C)OC 643505218 352977806 /nfs/dbraw/zinc/97/78/06/352977806.db2.gz JZDFOFBFEBYEPY-BDAKNGLRSA-N 2 2 174.288 0.609 20 0 ACADLP CC[NH2+]CC[NH2+][C@@H](C)[C@@H](C)OC 643505219 352977836 /nfs/dbraw/zinc/97/78/36/352977836.db2.gz JZDFOFBFEBYEPY-DTWKUNHWSA-N 2 2 174.288 0.609 20 0 ACADLP CC[NH2+]CC[NH2+][C@@H](C)[C@H](C)OC 643505220 352977924 /nfs/dbraw/zinc/97/79/24/352977924.db2.gz JZDFOFBFEBYEPY-IUCAKERBSA-N 2 2 174.288 0.609 20 0 ACADLP CC[NH2+]CC[NH2+][C@@H]1C[C@@H](C)O[C@H]1C 643505512 352978260 /nfs/dbraw/zinc/97/82/60/352978260.db2.gz XOFBLPGRAXOIAT-KXUCPTDWSA-N 2 2 186.299 0.751 20 0 ACADLP CC[NH2+]CC[NH2+][C@@H]1CC[NH2+]CC[C@H]1C 643505640 352978603 /nfs/dbraw/zinc/97/86/03/352978603.db2.gz NGKGWYLFDNSOIC-GHMZBOCLSA-N 3 2 199.342 0.574 20 0 ACADLP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CCC[NH2+]1 643505931 352978624 /nfs/dbraw/zinc/97/86/24/352978624.db2.gz DZZQYVVKALYSAI-AXFHLTTASA-N 3 2 197.326 0.455 20 0 ACADLP CC[NH2+]CC[NH2+][C@H]1CCCC[C@H]1C[NH3+] 643505614 352978725 /nfs/dbraw/zinc/97/87/25/352978725.db2.gz JPEFXTJOTYWFAT-QWRGUYRKSA-N 3 2 199.342 0.703 20 0 ACADLP CC[NH2+]CC[NH2+][C@@H]1C[C@@H](C)O[C@@H]1C 643505514 352978733 /nfs/dbraw/zinc/97/87/33/352978733.db2.gz XOFBLPGRAXOIAT-OPRDCNLKSA-N 2 2 186.299 0.751 20 0 ACADLP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CCC[NH2+]1 643505934 352978772 /nfs/dbraw/zinc/97/87/72/352978772.db2.gz DZZQYVVKALYSAI-HBNTYKKESA-N 3 2 197.326 0.455 20 0 ACADLP CC[NH2+]CC[NH2+][C@H]1CC[NH2+]CC[C@H]1C 643505641 352978779 /nfs/dbraw/zinc/97/87/79/352978779.db2.gz NGKGWYLFDNSOIC-MNOVXSKESA-N 3 2 199.342 0.574 20 0 ACADLP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CCC[NH2+]1 643505932 352979045 /nfs/dbraw/zinc/97/90/45/352979045.db2.gz DZZQYVVKALYSAI-DCAQKATOSA-N 3 2 197.326 0.455 20 0 ACADLP CC[NH2+]CC[NH2+][C@@H]1CCCC[C@H]1C[NH3+] 643505615 352979091 /nfs/dbraw/zinc/97/90/91/352979091.db2.gz JPEFXTJOTYWFAT-WDEREUQCSA-N 3 2 199.342 0.703 20 0 ACADLP CC[NH2+]CC[NH2+][C@H]1CC[NH2+]CC[C@@H]1C 643505642 352979230 /nfs/dbraw/zinc/97/92/30/352979230.db2.gz NGKGWYLFDNSOIC-QWRGUYRKSA-N 3 2 199.342 0.574 20 0 ACADLP CC[NH2+]CC[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] 643505612 352979238 /nfs/dbraw/zinc/97/92/38/352979238.db2.gz JPEFXTJOTYWFAT-GHMZBOCLSA-N 3 2 199.342 0.703 20 0 ACADLP CC[NH2+]CC[NH2+][C@H]1CCCC[C@@H]1C[NH3+] 643505613 352979269 /nfs/dbraw/zinc/97/92/69/352979269.db2.gz JPEFXTJOTYWFAT-MNOVXSKESA-N 3 2 199.342 0.703 20 0 ACADLP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CCC[NH2+]1 643505933 352979329 /nfs/dbraw/zinc/97/93/29/352979329.db2.gz DZZQYVVKALYSAI-GARJFASQSA-N 3 2 197.326 0.455 20 0 ACADLP CCOC[C@H](C)[NH2+]CC[NH2+]C1CC1 643506108 352979592 /nfs/dbraw/zinc/97/95/92/352979592.db2.gz KROSWPXYBXOQJZ-VIFPVBQESA-N 2 2 186.299 0.753 20 0 ACADLP C[C@H]1OCC[C@@H]1[NH2+]CC[NH2+]C1CC1 643507055 352979622 /nfs/dbraw/zinc/97/96/22/352979622.db2.gz QXGNBKYNYWVLIJ-SCZZXKLOSA-N 2 2 184.283 0.505 20 0 ACADLP CC[C@@H](COC)[NH2+]CC[NH2+]C1CC1 643506896 352979644 /nfs/dbraw/zinc/97/96/44/352979644.db2.gz LTCZAVMYBSARJZ-VIFPVBQESA-N 2 2 186.299 0.753 20 0 ACADLP CCOC[C@@H](C)[NH2+]CC[NH2+]C1CC1 643506107 352979654 /nfs/dbraw/zinc/97/96/54/352979654.db2.gz KROSWPXYBXOQJZ-SECBINFHSA-N 2 2 186.299 0.753 20 0 ACADLP C[C@@H]1C[C@H]([NH2+]CC[NH2+]C2CC2)[C@@H](C)O1 643507956 352979781 /nfs/dbraw/zinc/97/97/81/352979781.db2.gz XFTNXTYRWWFSIP-KKZNHRDASA-N 2 2 198.310 0.894 20 0 ACADLP C[C@@H]1OCC[C@@H]1[NH2+]CC[NH2+]C1CC1 643507057 352979797 /nfs/dbraw/zinc/97/97/97/352979797.db2.gz QXGNBKYNYWVLIJ-WPRPVWTQSA-N 2 2 184.283 0.505 20 0 ACADLP CO[C@@H](C)[C@H](C)[NH2+]CC[NH2+]C1CC1 643506915 352979832 /nfs/dbraw/zinc/97/98/32/352979832.db2.gz MITKIVOCDFQYHG-IUCAKERBSA-N 2 2 186.299 0.751 20 0 ACADLP C[C@@H]1OCC[C@H]1[NH2+]CC[NH2+]C1CC1 643507056 352979881 /nfs/dbraw/zinc/97/98/81/352979881.db2.gz QXGNBKYNYWVLIJ-WCBMZHEXSA-N 2 2 184.283 0.505 20 0 ACADLP C[C@@H]1O[C@H](C)C[C@@H]1[NH2+]CC[NH2+]C1CC1 643507958 352980007 /nfs/dbraw/zinc/98/00/07/352980007.db2.gz XFTNXTYRWWFSIP-YWVKMMECSA-N 2 2 198.310 0.894 20 0 ACADLP C[C@@H]1C[C@@H]([NH2+]CC[NH2+]C2CC2)[C@@H](C)O1 643507955 352980147 /nfs/dbraw/zinc/98/01/47/352980147.db2.gz XFTNXTYRWWFSIP-FXPVBKGRSA-N 2 2 198.310 0.894 20 0 ACADLP CO[C@@H](C)[C@@H](C)[NH2+]CC[NH2+]C1CC1 643506913 352980087 /nfs/dbraw/zinc/98/00/87/352980087.db2.gz MITKIVOCDFQYHG-BDAKNGLRSA-N 2 2 186.299 0.751 20 0 ACADLP CO[C@H](C)[C@@H](C)[NH2+]CC[NH2+]C1CC1 643506916 352980111 /nfs/dbraw/zinc/98/01/11/352980111.db2.gz MITKIVOCDFQYHG-RKDXNWHRSA-N 2 2 186.299 0.751 20 0 ACADLP CO[C@H](C)[C@H](C)[NH2+]CC[NH2+]C1CC1 643506914 352980129 /nfs/dbraw/zinc/98/01/29/352980129.db2.gz MITKIVOCDFQYHG-DTWKUNHWSA-N 2 2 186.299 0.751 20 0 ACADLP C[C@@H]1O[C@H](C)C[C@H]1[NH2+]CC[NH2+]C1CC1 643507957 352980158 /nfs/dbraw/zinc/98/01/58/352980158.db2.gz XFTNXTYRWWFSIP-WCABBAIRSA-N 2 2 198.310 0.894 20 0 ACADLP C[C@H]1OCC[C@H]1[NH2+]CC[NH2+]C1CC1 643507054 352980178 /nfs/dbraw/zinc/98/01/78/352980178.db2.gz QXGNBKYNYWVLIJ-PSASIEDQSA-N 2 2 184.283 0.505 20 0 ACADLP CC[C@H](COC)[NH2+]CC[NH2+]C1CC1 643506895 352980351 /nfs/dbraw/zinc/98/03/51/352980351.db2.gz LTCZAVMYBSARJZ-SECBINFHSA-N 2 2 186.299 0.753 20 0 ACADLP C[C@H](C[NH3+])C[NH2+][C@H]1CCCCC[C@@H]1[NH3+] 643514977 352985150 /nfs/dbraw/zinc/98/51/50/352985150.db2.gz NXHNBFZQOYRJHL-VWYCJHECSA-N 3 2 199.342 0.831 20 0 ACADLP C[C@H](C[NH3+])C[NH2+][C@H](C)[C@H]1CCCC[NH2+]1 643515003 352985214 /nfs/dbraw/zinc/98/52/14/352985214.db2.gz RAGIESCDOFLDHH-GMTAPVOTSA-N 3 2 199.342 0.701 20 0 ACADLP CC[C@H]([NH2+]C[C@H](C)C[NH3+])[C@@H]1CCC[NH2+]1 643514946 352985225 /nfs/dbraw/zinc/98/52/25/352985225.db2.gz JLJHDHFGKKLLTH-VWYCJHECSA-N 3 2 199.342 0.701 20 0 ACADLP C[C@H](C[NH3+])C[NH2+][C@H]1CCCCC[C@H]1[NH3+] 643514975 352985241 /nfs/dbraw/zinc/98/52/41/352985241.db2.gz NXHNBFZQOYRJHL-MXWKQRLJSA-N 3 2 199.342 0.831 20 0 ACADLP C[C@H](C[NH3+])C[NH2+][C@@H]1CCCCC[C@H]1[NH3+] 643514974 352985308 /nfs/dbraw/zinc/98/53/08/352985308.db2.gz NXHNBFZQOYRJHL-GMTAPVOTSA-N 3 2 199.342 0.831 20 0 ACADLP C[C@H](C[NH3+])C[NH2+][C@@H]1CCCCC[C@@H]1[NH3+] 643514976 352985335 /nfs/dbraw/zinc/98/53/35/352985335.db2.gz NXHNBFZQOYRJHL-OUAUKWLOSA-N 3 2 199.342 0.831 20 0 ACADLP CC[C@@H]([NH2+]C[C@H](C)C[NH3+])[C@@H]1CCC[NH2+]1 643514945 352985360 /nfs/dbraw/zinc/98/53/60/352985360.db2.gz JLJHDHFGKKLLTH-MXWKQRLJSA-N 3 2 199.342 0.701 20 0 ACADLP CC[C@@H]([NH2+]C[C@@H](C)C[NH3+])[C@@H]1CCC[NH2+]1 643514943 352985501 /nfs/dbraw/zinc/98/55/01/352985501.db2.gz JLJHDHFGKKLLTH-AXFHLTTASA-N 3 2 199.342 0.701 20 0 ACADLP CC[C@H]([NH2+]C[C@@H](C)C[NH3+])[C@@H]1CCC[NH2+]1 643514944 352985564 /nfs/dbraw/zinc/98/55/64/352985564.db2.gz JLJHDHFGKKLLTH-DCAQKATOSA-N 3 2 199.342 0.701 20 0 ACADLP C[C@@H](C[NH3+])C[NH2+][C@H](C)[C@@H]1CCCC[NH2+]1 643515000 352985606 /nfs/dbraw/zinc/98/56/06/352985606.db2.gz RAGIESCDOFLDHH-AXFHLTTASA-N 3 2 199.342 0.701 20 0 ACADLP C[C@@H](C[NH3+])C[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1 643515001 352985830 /nfs/dbraw/zinc/98/58/30/352985830.db2.gz RAGIESCDOFLDHH-DCAQKATOSA-N 3 2 199.342 0.701 20 0 ACADLP C[C@@H](C[NH3+])C[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1 643515002 352985893 /nfs/dbraw/zinc/98/58/93/352985893.db2.gz RAGIESCDOFLDHH-GARJFASQSA-N 3 2 199.342 0.701 20 0 ACADLP CCC[NH2+]CC[NH2+][C@@H](C)C[C@@H](C)[NH3+] 643515177 352986318 /nfs/dbraw/zinc/98/63/18/352986318.db2.gz WADGMUXONXSESA-ZJUUUORDSA-N 3 2 187.331 0.701 20 0 ACADLP C[C@@H](C[NH3+])C[NH2+][C@H](C)[C@H]1CCCC[NH2+]1 643515004 352986424 /nfs/dbraw/zinc/98/64/24/352986424.db2.gz RAGIESCDOFLDHH-HBNTYKKESA-N 3 2 199.342 0.701 20 0 ACADLP CCC[NH2+]CC[NH2+][C@@H](C)[C@H](C)OC 643515213 352986482 /nfs/dbraw/zinc/98/64/82/352986482.db2.gz HIGAQUCCIIBGIG-UWVGGRQHSA-N 2 2 188.315 0.999 20 0 ACADLP C[C@H]([NH2+]C[C@H](C)C[NH3+])[C@@H]1CCCC[NH2+]1 643515007 352986486 /nfs/dbraw/zinc/98/64/86/352986486.db2.gz RAGIESCDOFLDHH-VWYCJHECSA-N 3 2 199.342 0.701 20 0 ACADLP CCC[NH2+]CC[NH2+][C@@H](C)C[C@H](C)[NH3+] 643515175 352986541 /nfs/dbraw/zinc/98/65/41/352986541.db2.gz WADGMUXONXSESA-UWVGGRQHSA-N 3 2 187.331 0.701 20 0 ACADLP C[C@H]([NH2+]C[C@H](C)C[NH3+])[C@H]1CCCC[NH2+]1 643515006 352986579 /nfs/dbraw/zinc/98/65/79/352986579.db2.gz RAGIESCDOFLDHH-OUAUKWLOSA-N 3 2 199.342 0.701 20 0 ACADLP CCC[NH2+]CC[NH2+][C@H](C)[C@@H](C)OC 643515212 352986691 /nfs/dbraw/zinc/98/66/91/352986691.db2.gz HIGAQUCCIIBGIG-NXEZZACHSA-N 2 2 188.315 0.999 20 0 ACADLP C[C@H](C[NH3+])C[NH2+][C@H](C)[C@@H]1CCCC[NH2+]1 643515005 352986711 /nfs/dbraw/zinc/98/67/11/352986711.db2.gz RAGIESCDOFLDHH-MXWKQRLJSA-N 3 2 199.342 0.701 20 0 ACADLP CCC[NH2+]CC[NH2+][C@H](C)C[C@@H](C)[NH3+] 643515174 352986717 /nfs/dbraw/zinc/98/67/17/352986717.db2.gz WADGMUXONXSESA-NXEZZACHSA-N 3 2 187.331 0.701 20 0 ACADLP CCC[NH2+]CC[NH2+][C@@H]1CCC[C@@H]1C[NH3+] 643515103 352986796 /nfs/dbraw/zinc/98/67/96/352986796.db2.gz COYAMIVYVOCQCY-GHMZBOCLSA-N 3 2 199.342 0.703 20 0 ACADLP CCC[NH2+]CC[NH2+][C@H](C)C[C@H](C)[NH3+] 643515176 352986813 /nfs/dbraw/zinc/98/68/13/352986813.db2.gz WADGMUXONXSESA-VHSXEESVSA-N 3 2 187.331 0.701 20 0 ACADLP CCC[NH2+]CC[NH2+][C@H]1CCC[C@H]1C[NH3+] 643515105 352986822 /nfs/dbraw/zinc/98/68/22/352986822.db2.gz COYAMIVYVOCQCY-QWRGUYRKSA-N 3 2 199.342 0.703 20 0 ACADLP CCC[NH2+]CC[NH2+][C@H](C)[C@H](C)OC 643515215 352986825 /nfs/dbraw/zinc/98/68/25/352986825.db2.gz HIGAQUCCIIBGIG-ZJUUUORDSA-N 2 2 188.315 0.999 20 0 ACADLP CCC[NH2+]CC[NH2+][C@@H]1CCC[C@H]1C[NH3+] 643515106 352986878 /nfs/dbraw/zinc/98/68/78/352986878.db2.gz COYAMIVYVOCQCY-WDEREUQCSA-N 3 2 199.342 0.703 20 0 ACADLP CCC[NH2+]CC[NH2+][C@@H](C)[C@@H](C)OC 643515214 352986892 /nfs/dbraw/zinc/98/68/92/352986892.db2.gz HIGAQUCCIIBGIG-VHSXEESVSA-N 2 2 188.315 0.999 20 0 ACADLP CO[C@@H](C)[C@H](C)[NH2+][C@H]1CCC[NH2+]C1 643515834 352987219 /nfs/dbraw/zinc/98/72/19/352987219.db2.gz TYIQOLAIJKBILC-GUBZILKMSA-N 2 2 186.299 0.751 20 0 ACADLP C[C@@H]1O[C@H](C)C[C@H]1[NH2+][C@H]1CCC[NH2+]C1 643515729 352987383 /nfs/dbraw/zinc/98/73/83/352987383.db2.gz ZTCWGECHNVHBOT-VPOLOUISSA-N 2 2 198.310 0.894 20 0 ACADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CCC[NH2+]C2)[C@@H](C)O1 643515728 352987554 /nfs/dbraw/zinc/98/75/54/352987554.db2.gz ZTCWGECHNVHBOT-CHWFTXMASA-N 2 2 198.310 0.894 20 0 ACADLP CO[C@@H](C)[C@@H](C)[NH2+][C@H]1CCC[NH2+]C1 643515835 352987686 /nfs/dbraw/zinc/98/76/86/352987686.db2.gz TYIQOLAIJKBILC-UTLUCORTSA-N 2 2 186.299 0.751 20 0 ACADLP C[C@@H]([NH2+][C@H]1CCC[NH2+]C1)[C@H]1CCCO1 643515815 352987788 /nfs/dbraw/zinc/98/77/88/352987788.db2.gz PJOGNWODDWTTOA-OUAUKWLOSA-N 2 2 198.310 0.896 20 0 ACADLP CO[C@@H](C)[C@H](C)[NH2+][C@@H]1CCC[NH2+]C1 643523019 352991572 /nfs/dbraw/zinc/99/15/72/352991572.db2.gz TYIQOLAIJKBILC-LPEHRKFASA-N 2 2 186.299 0.751 20 0 ACADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCC[NH2+]C2)[C@@H](C)O1 643523511 352991862 /nfs/dbraw/zinc/99/18/62/352991862.db2.gz ZTCWGECHNVHBOT-GWOFURMSSA-N 2 2 198.310 0.894 20 0 ACADLP C[C@@H]1O[C@H](C)C[C@H]1[NH2+][C@@H]1CCC[NH2+]C1 643523512 352992009 /nfs/dbraw/zinc/99/20/09/352992009.db2.gz ZTCWGECHNVHBOT-LMLFDSFASA-N 2 2 198.310 0.894 20 0 ACADLP CO[C@@H](C)[C@@H](C)[NH2+][C@@H]1CCC[NH2+]C1 643523017 352992071 /nfs/dbraw/zinc/99/20/71/352992071.db2.gz TYIQOLAIJKBILC-KXUCPTDWSA-N 2 2 186.299 0.751 20 0 ACADLP CC[NH2+][C@H](C)C[NH2+][C@@H]1CCC[C@H]1C[NH3+] 643529947 352997484 /nfs/dbraw/zinc/99/74/84/352997484.db2.gz ORDBKHCNLJGKLX-OUAUKWLOSA-N 3 2 199.342 0.701 20 0 ACADLP CC[NH2+][C@H](C)C[NH2+][C@H]1CCC[C@@H]1C[NH3+] 643529946 352997505 /nfs/dbraw/zinc/99/75/05/352997505.db2.gz ORDBKHCNLJGKLX-MXWKQRLJSA-N 3 2 199.342 0.701 20 0 ACADLP CC[NH2+][C@H](C)C[NH2+][C@H]1CCC[C@H]1C[NH3+] 643529948 352997577 /nfs/dbraw/zinc/99/75/77/352997577.db2.gz ORDBKHCNLJGKLX-VWYCJHECSA-N 3 2 199.342 0.701 20 0 ACADLP CC[NH2+][C@H](C)C[NH2+][C@@H]1CCC[C@@H]1C[NH3+] 643529945 352997952 /nfs/dbraw/zinc/99/79/52/352997952.db2.gz ORDBKHCNLJGKLX-GMTAPVOTSA-N 3 2 199.342 0.701 20 0 ACADLP CC[C@H]([NH3+])C[NH2+][C@@H]1CCCCC[C@@H]1[NH3+] 643540709 353003038 /nfs/dbraw/zinc/00/30/38/353003038.db2.gz BUUZOGLJERKLEJ-GARJFASQSA-N 3 2 199.342 0.973 20 0 ACADLP CC[C@H]([NH3+])C[NH2+][C@@H]1CCCCC[C@H]1[NH3+] 643540710 353003171 /nfs/dbraw/zinc/00/31/71/353003171.db2.gz BUUZOGLJERKLEJ-HBNTYKKESA-N 3 2 199.342 0.973 20 0 ACADLP CC[C@H]([NH3+])C[NH2+][C@H]1CCCCC[C@H]1[NH3+] 643540707 353003362 /nfs/dbraw/zinc/00/33/62/353003362.db2.gz BUUZOGLJERKLEJ-AXFHLTTASA-N 3 2 199.342 0.973 20 0 ACADLP CC[C@@H]1CC[C@@H]1[NH2+]C[C@H]1C[NH2+]CCO1 643544482 353003909 /nfs/dbraw/zinc/00/39/09/353003909.db2.gz PXHNSCZJOYUWEX-MXWKQRLJSA-N 2 2 198.310 0.753 20 0 ACADLP CC[C@@H]1CC[C@@H]1[NH2+]C[C@@H]1C[NH2+]CCO1 643544484 353003935 /nfs/dbraw/zinc/00/39/35/353003935.db2.gz PXHNSCZJOYUWEX-VWYCJHECSA-N 2 2 198.310 0.753 20 0 ACADLP CC[C@@H]1CC[C@H]1[NH2+]C[C@@H]1C[NH2+]CCO1 643544483 353003945 /nfs/dbraw/zinc/00/39/45/353003945.db2.gz PXHNSCZJOYUWEX-OUAUKWLOSA-N 2 2 198.310 0.753 20 0 ACADLP CC[C@@H]([NH2+]C[C@H]1C[NH2+]CCO1)C1CC1 643544344 353004061 /nfs/dbraw/zinc/00/40/61/353004061.db2.gz PCBAYUCLUNXLGZ-GHMZBOCLSA-N 2 2 198.310 0.753 20 0 ACADLP CC[C@H]([NH2+]C[C@H]1C[NH2+]CCO1)C1CC1 643544345 353004168 /nfs/dbraw/zinc/00/41/68/353004168.db2.gz PCBAYUCLUNXLGZ-MNOVXSKESA-N 2 2 198.310 0.753 20 0 ACADLP CC[C@H]([NH2+]C[C@@H]1C[NH2+]CCO1)C1CC1 643544346 353004179 /nfs/dbraw/zinc/00/41/79/353004179.db2.gz PCBAYUCLUNXLGZ-QWRGUYRKSA-N 2 2 198.310 0.753 20 0 ACADLP CC(C)([NH3+])C[N@@H+]1CCCOCC1 61934783 371641211 /nfs/dbraw/zinc/64/12/11/371641211.db2.gz VGATYYQXQCLVHN-UHFFFAOYSA-N 2 2 172.272 0.446 20 0 ACADLP CC(C)([NH3+])C[N@H+]1CCCOCC1 61934783 371641216 /nfs/dbraw/zinc/64/12/16/371641216.db2.gz VGATYYQXQCLVHN-UHFFFAOYSA-N 2 2 172.272 0.446 20 0 ACADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]C1CCC1 166118483 371680857 /nfs/dbraw/zinc/68/08/57/371680857.db2.gz DXKKGLCYUVQIPJ-KOLCDFICSA-N 2 2 198.310 0.896 20 0 ACADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]CC1CC1 166084719 371681058 /nfs/dbraw/zinc/68/10/58/371681058.db2.gz XBYPSGXBNDOFIX-MWLCHTKSSA-N 2 2 198.310 0.753 20 0 ACADLP CCC[NH2+][C@@H](C)C[C@H]1COCC[NH2+]1 166078972 371681120 /nfs/dbraw/zinc/68/11/20/371681120.db2.gz KUNMCCCBMDYMFK-UWVGGRQHSA-N 2 2 186.299 0.753 20 0 ACADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]C1CCC1 166118251 371681344 /nfs/dbraw/zinc/68/13/44/371681344.db2.gz DXKKGLCYUVQIPJ-MWLCHTKSSA-N 2 2 198.310 0.896 20 0 ACADLP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+]C1CCC1 166118125 371681457 /nfs/dbraw/zinc/68/14/57/371681457.db2.gz DXKKGLCYUVQIPJ-GXSJLCMTSA-N 2 2 198.310 0.896 20 0 ACADLP CCC[NH2+][C@H](C)C[C@@H]1COCC[NH2+]1 166078851 371681757 /nfs/dbraw/zinc/68/17/57/371681757.db2.gz KUNMCCCBMDYMFK-NXEZZACHSA-N 2 2 186.299 0.753 20 0 ACADLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]CC1CC1 166084818 371681772 /nfs/dbraw/zinc/68/17/72/371681772.db2.gz XBYPSGXBNDOFIX-ONGXEEELSA-N 2 2 198.310 0.753 20 0 ACADLP CCC[NH2+][C@@H](C)C[C@@H]1COCC[NH2+]1 166078739 371681823 /nfs/dbraw/zinc/68/18/23/371681823.db2.gz KUNMCCCBMDYMFK-VHSXEESVSA-N 2 2 186.299 0.753 20 0 ACADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]CC1CC1 166084911 371681859 /nfs/dbraw/zinc/68/18/59/371681859.db2.gz XBYPSGXBNDOFIX-KOLCDFICSA-N 2 2 198.310 0.753 20 0 ACADLP CCC[NH2+][C@H](C)C[C@H]1COCC[NH2+]1 166079084 371681903 /nfs/dbraw/zinc/68/19/03/371681903.db2.gz KUNMCCCBMDYMFK-ZJUUUORDSA-N 2 2 186.299 0.753 20 0 ACADLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]C1CCC1 166118371 371681913 /nfs/dbraw/zinc/68/19/13/371681913.db2.gz DXKKGLCYUVQIPJ-ONGXEEELSA-N 2 2 198.310 0.896 20 0 ACADLP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+]CC1CC1 166084627 371681951 /nfs/dbraw/zinc/68/19/51/371681951.db2.gz XBYPSGXBNDOFIX-GXSJLCMTSA-N 2 2 198.310 0.753 20 0 ACADLP c1cn(CC[NH+]2CCSCC2)c[nH+]1 199373869 371699272 /nfs/dbraw/zinc/69/92/72/371699272.db2.gz XQRYJHDIDHFXBB-UHFFFAOYSA-N 2 2 197.307 0.932 20 0 ACADLP COC1(C[N@@H+](C)CC[NH3+])CCCC1 319106479 371785270 /nfs/dbraw/zinc/78/52/70/371785270.db2.gz YDIQXZWGTCHRAN-UHFFFAOYSA-N 2 2 186.299 0.836 20 0 ACADLP CC(C)[C@H](C)[NH2+]C[C@H]1C[NH2+]CCO1 319087991 371784896 /nfs/dbraw/zinc/78/48/96/371784896.db2.gz CKXFEVIETIWDJI-VHSXEESVSA-N 2 2 186.299 0.609 20 0 ACADLP COC1(C[N@H+](C)CC[NH3+])CCCC1 319106479 371785264 /nfs/dbraw/zinc/78/52/64/371785264.db2.gz YDIQXZWGTCHRAN-UHFFFAOYSA-N 2 2 186.299 0.836 20 0 ACADLP CC(C)[C@@H](C)[NH2+]C[C@H]1C[NH2+]CCO1 319087988 371785436 /nfs/dbraw/zinc/78/54/36/371785436.db2.gz CKXFEVIETIWDJI-NXEZZACHSA-N 2 2 186.299 0.609 20 0 ACADLP CC(C)[C@H](C)[NH2+]C[C@@H]1C[NH2+]CCO1 319087990 371785698 /nfs/dbraw/zinc/78/56/98/371785698.db2.gz CKXFEVIETIWDJI-UWVGGRQHSA-N 2 2 186.299 0.609 20 0 ACADLP CC(C)[C@@H](C)[NH2+]C[C@@H]1C[NH2+]CCO1 319087993 371785769 /nfs/dbraw/zinc/78/57/69/371785769.db2.gz CKXFEVIETIWDJI-ZJUUUORDSA-N 2 2 186.299 0.609 20 0 ACADLP C[C@@H](O)C[NH2+][C@H]1CC[N@H+](CC2CC2)C1 644556690 371885583 /nfs/dbraw/zinc/88/55/83/371885583.db2.gz LUNFRFPTFSYYIX-KOLCDFICSA-N 2 2 198.310 0.441 20 0 ACADLP C[C@@H]([NH3+])C[C@@H](C)[NH2+][C@@H]1CCCC[C@H]1[NH3+] 644166474 371877842 /nfs/dbraw/zinc/87/78/42/371877842.db2.gz NEBFRZYTQKDKOJ-GWOFURMSSA-N 3 2 199.342 0.972 20 0 ACADLP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H]1CCCC[C@H]1[NH3+] 644166477 371877855 /nfs/dbraw/zinc/87/78/55/371877855.db2.gz NEBFRZYTQKDKOJ-UKKRHICBSA-N 3 2 199.342 0.972 20 0 ACADLP C[C@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])C1C[NH2+]C1 644166459 371878090 /nfs/dbraw/zinc/87/80/90/371878090.db2.gz JDUZLYQEBHWWSH-JMJZKYOTSA-N 3 2 197.326 0.454 20 0 ACADLP C[C@@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])C1C[NH2+]C1 644166458 371878146 /nfs/dbraw/zinc/87/81/46/371878146.db2.gz JDUZLYQEBHWWSH-FBIMIBRVSA-N 3 2 197.326 0.454 20 0 ACADLP C[C@H]([NH3+])C[C@@H](C)[NH2+][C@@H]1CCCC[C@H]1[NH3+] 644166476 371878410 /nfs/dbraw/zinc/87/84/10/371878410.db2.gz NEBFRZYTQKDKOJ-LNFKQOIKSA-N 3 2 199.342 0.972 20 0 ACADLP C[C@@H](C[C@@H](C)[NH3+])[NH2+][C@@H]1CCCC[C@H]1[NH3+] 644166475 371878925 /nfs/dbraw/zinc/87/89/25/371878925.db2.gz NEBFRZYTQKDKOJ-LMLFDSFASA-N 3 2 199.342 0.972 20 0 ACADLP C[N@H+](CC[NH2+]CC1(O)CCC1)C1CC1 644528367 371883009 /nfs/dbraw/zinc/88/30/09/371883009.db2.gz VISJCTKDZUEBKY-UHFFFAOYSA-N 2 2 198.310 0.585 20 0 ACADLP C[N@@H+](CC[NH2+]CC1(O)CCC1)C1CC1 644528367 371883015 /nfs/dbraw/zinc/88/30/15/371883015.db2.gz VISJCTKDZUEBKY-UHFFFAOYSA-N 2 2 198.310 0.585 20 0 ACADLP C[C@H](O)C[NH2+][C@H]1CC[N@H+](CC2CC2)C1 644556692 371885419 /nfs/dbraw/zinc/88/54/19/371885419.db2.gz LUNFRFPTFSYYIX-ONGXEEELSA-N 2 2 198.310 0.441 20 0 ACADLP C[C@H](O)C[NH2+][C@H]1CC[N@@H+](CC2CC2)C1 644556692 371885421 /nfs/dbraw/zinc/88/54/21/371885421.db2.gz LUNFRFPTFSYYIX-ONGXEEELSA-N 2 2 198.310 0.441 20 0 ACADLP C[C@@H](O)C[NH2+][C@@H]1CC[N@H+](CC2CC2)C1 644556691 371885548 /nfs/dbraw/zinc/88/55/48/371885548.db2.gz LUNFRFPTFSYYIX-MWLCHTKSSA-N 2 2 198.310 0.441 20 0 ACADLP C[C@@H](O)C[NH2+][C@@H]1CC[N@@H+](CC2CC2)C1 644556691 371885552 /nfs/dbraw/zinc/88/55/52/371885552.db2.gz LUNFRFPTFSYYIX-MWLCHTKSSA-N 2 2 198.310 0.441 20 0 ACADLP C[C@@H](O)C[NH2+][C@H]1CC[N@@H+](CC2CC2)C1 644556690 371885585 /nfs/dbraw/zinc/88/55/85/371885585.db2.gz LUNFRFPTFSYYIX-KOLCDFICSA-N 2 2 198.310 0.441 20 0 ACADLP C[C@H](O)C[NH2+][C@@H]1CC[N@H+](CC2CC2)C1 644556689 371885730 /nfs/dbraw/zinc/88/57/30/371885730.db2.gz LUNFRFPTFSYYIX-GXSJLCMTSA-N 2 2 198.310 0.441 20 0 ACADLP C[C@H](O)C[NH2+][C@@H]1CC[N@@H+](CC2CC2)C1 644556689 371885734 /nfs/dbraw/zinc/88/57/34/371885734.db2.gz LUNFRFPTFSYYIX-GXSJLCMTSA-N 2 2 198.310 0.441 20 0 ACADLP CC[N@H+](CCn1cc[nH+]c1)[C@H](C)CO 644705846 371901270 /nfs/dbraw/zinc/90/12/70/371901270.db2.gz ABKYPKRVHAJVEN-SNVBAGLBSA-N 2 2 197.282 0.586 20 0 ACADLP CC[N@@H+](CCn1cc[nH+]c1)[C@H](C)CO 644705846 371901275 /nfs/dbraw/zinc/90/12/75/371901275.db2.gz ABKYPKRVHAJVEN-SNVBAGLBSA-N 2 2 197.282 0.586 20 0 ACADLP CC[N@@H+](CCn1cc[nH+]c1)[C@@H](C)CO 645231992 371956390 /nfs/dbraw/zinc/95/63/90/371956390.db2.gz ABKYPKRVHAJVEN-JTQLQIEISA-N 2 2 197.282 0.586 20 0 ACADLP CC[N@H+](CCn1cc[nH+]c1)[C@@H](C)CO 645231992 371956384 /nfs/dbraw/zinc/95/63/84/371956384.db2.gz ABKYPKRVHAJVEN-JTQLQIEISA-N 2 2 197.282 0.586 20 0 ACADLP CC(C)OCCC[N@@H+]1CC[C@@H]([NH3+])C1 33426879 375293910 /nfs/dbraw/zinc/29/39/10/375293910.db2.gz SDMRXKMTHNCZDG-SNVBAGLBSA-N 2 2 186.299 0.835 20 0 ACADLP CC(C)OCCC[N@H+]1CC[C@@H]([NH3+])C1 33426879 375293917 /nfs/dbraw/zinc/29/39/17/375293917.db2.gz SDMRXKMTHNCZDG-SNVBAGLBSA-N 2 2 186.299 0.835 20 0 ACADLP CC(C)OCCC[N@@H+]1CC[C@H]([NH3+])C1 33426880 375294452 /nfs/dbraw/zinc/29/44/52/375294452.db2.gz SDMRXKMTHNCZDG-JTQLQIEISA-N 2 2 186.299 0.835 20 0 ACADLP CC(C)OCCC[N@H+]1CC[C@H]([NH3+])C1 33426880 375294457 /nfs/dbraw/zinc/29/44/57/375294457.db2.gz SDMRXKMTHNCZDG-JTQLQIEISA-N 2 2 186.299 0.835 20 0 ACADLP Cc1[nH+]ccn1CC[N@@H+]1CC[C@@H](O)C1 61708171 375307681 /nfs/dbraw/zinc/30/76/81/375307681.db2.gz RIFUGEKIPXUFTO-SNVBAGLBSA-N 2 2 195.266 0.258 20 0 ACADLP Cc1[nH+]ccn1CC[N@H+]1CC[C@@H](O)C1 61708171 375307690 /nfs/dbraw/zinc/30/76/90/375307690.db2.gz RIFUGEKIPXUFTO-SNVBAGLBSA-N 2 2 195.266 0.258 20 0 ACADLP c1cn(CC[NH+]2CCCC2)c[nH+]1 70162475 375320860 /nfs/dbraw/zinc/32/08/60/375320860.db2.gz VCGQONMOLINMJP-UHFFFAOYSA-N 2 2 165.240 0.979 20 0 ACADLP CC[N@@H+]1CCC[C@H]([NH2+][C@@H]2CCOC2)C1 70968149 375340824 /nfs/dbraw/zinc/34/08/24/375340824.db2.gz ZWPSCSULQGOKTM-WDEREUQCSA-N 2 2 198.310 0.849 20 0 ACADLP CC[N@H+]1CCC[C@H]([NH2+][C@@H]2CCOC2)C1 70968149 375340828 /nfs/dbraw/zinc/34/08/28/375340828.db2.gz ZWPSCSULQGOKTM-WDEREUQCSA-N 2 2 198.310 0.849 20 0 ACADLP Cc1c[nH+]ccc1NC(=O)[C@@H](C)C[NH3+] 82249297 375350979 /nfs/dbraw/zinc/35/09/79/375350979.db2.gz PFZUYGNGCMVITD-ZETCQYMHSA-N 2 2 193.250 0.923 20 0 ACADLP Cc1c[nH+]ccc1NC(=O)CC[NH3+] 82248696 375351016 /nfs/dbraw/zinc/35/10/16/375351016.db2.gz KIKRNKAACBQBCD-UHFFFAOYSA-N 2 2 179.223 0.677 20 0 ACADLP C[NH2+]CC(=O)Nc1cc[nH+]c(C)c1 82247753 375351144 /nfs/dbraw/zinc/35/11/44/375351144.db2.gz STXJDFLBFVYABU-UHFFFAOYSA-N 2 2 179.223 0.548 20 0 ACADLP C[NH2+]CC(=O)Nc1cc[nH+]cc1C 82247754 375351170 /nfs/dbraw/zinc/35/11/70/375351170.db2.gz FYLCTHDUNLVXMX-UHFFFAOYSA-N 2 2 179.223 0.548 20 0 ACADLP Cc1c[nH+]ccc1NC(=O)[C@H](C)C[NH3+] 82249298 375351175 /nfs/dbraw/zinc/35/11/75/375351175.db2.gz PFZUYGNGCMVITD-SSDOTTSWSA-N 2 2 193.250 0.923 20 0 ACADLP Cc1cc(NC(=O)[C@H](C)C[NH3+])cc[nH+]1 82249296 375351258 /nfs/dbraw/zinc/35/12/58/375351258.db2.gz LNRVKGUQRFALOX-SSDOTTSWSA-N 2 2 193.250 0.923 20 0 ACADLP Cc1c[nH+]ccc1NC(=O)[C@H](C)[NH3+] 82247821 375351271 /nfs/dbraw/zinc/35/12/71/375351271.db2.gz LPCDVVTUFFFYSK-ZETCQYMHSA-N 2 2 179.223 0.676 20 0 ACADLP Cc1c[nH+]ccc1NC(=O)[C@@H](C)[NH3+] 82523270 375364620 /nfs/dbraw/zinc/36/46/20/375364620.db2.gz LPCDVVTUFFFYSK-SSDOTTSWSA-N 2 2 179.223 0.676 20 0 ACADLP CC(C)[NH2+]C[C@@H]1C[N@H+](C)CCN1C 82668928 375368339 /nfs/dbraw/zinc/36/83/39/375368339.db2.gz SAXNDWRVYKLISB-SNVBAGLBSA-N 2 2 185.315 0.230 20 0 ACADLP CC(C)[NH2+]C[C@@H]1C[N@@H+](C)CCN1C 82668928 375368348 /nfs/dbraw/zinc/36/83/48/375368348.db2.gz SAXNDWRVYKLISB-SNVBAGLBSA-N 2 2 185.315 0.230 20 0 ACADLP CC(C)[NH2+]C[C@H]1C[N@H+](C)CCN1C 82668929 375368868 /nfs/dbraw/zinc/36/88/68/375368868.db2.gz SAXNDWRVYKLISB-JTQLQIEISA-N 2 2 185.315 0.230 20 0 ACADLP CC(C)[NH2+]C[C@H]1C[N@@H+](C)CCN1C 82668929 375368872 /nfs/dbraw/zinc/36/88/72/375368872.db2.gz SAXNDWRVYKLISB-JTQLQIEISA-N 2 2 185.315 0.230 20 0 ACADLP Cc1c[nH+]ccc1NC(=O)C1([NH3+])CC1 83836165 375382352 /nfs/dbraw/zinc/38/23/52/375382352.db2.gz KNKXUZKPXBAMKG-UHFFFAOYSA-N 2 2 191.234 0.820 20 0 ACADLP C[C@H]1C[C@@H]([NH3+])C[N@H+]1C[C@H]1CC[C@@H](C)O1 307372308 375469952 /nfs/dbraw/zinc/46/99/52/375469952.db2.gz QSIUJBFULJOPPK-LNFKQOIKSA-N 2 2 198.310 0.975 20 0 ACADLP C[C@H]([NH3+])CC(=O)Nc1ccc(N)[nH+]c1 306994477 375463394 /nfs/dbraw/zinc/46/33/94/375463394.db2.gz NPNHKETYCTYXFV-LURJTMIESA-N 2 2 194.238 0.340 20 0 ACADLP C[C@@H]1CC[C@H](C[N@@H+]2C[C@@H]([NH3+])C[C@H]2C)O1 307372306 375469784 /nfs/dbraw/zinc/46/97/84/375469784.db2.gz 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RAZIOFINKTZSEO-VHSXEESVSA-N 3 2 185.315 0.394 20 0 ACADLP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](CCC[NH3+])C1 647496529 375649170 /nfs/dbraw/zinc/64/91/70/375649170.db2.gz RAZIOFINKTZSEO-VHSXEESVSA-N 3 2 185.315 0.394 20 0 ACADLP C[NH2+]C[C@H]1CCC[N@@H+]1CCC[NH3+] 647504907 375649193 /nfs/dbraw/zinc/64/91/93/375649193.db2.gz ZLUDTIAOLFSFQW-SECBINFHSA-N 3 2 171.288 0.019 20 0 ACADLP C[NH2+]C[C@H]1CCC[N@H+]1CCC[NH3+] 647504907 375649200 /nfs/dbraw/zinc/64/92/00/375649200.db2.gz ZLUDTIAOLFSFQW-SECBINFHSA-N 3 2 171.288 0.019 20 0 ACADLP CC[C@@H]1C[N@@H+](CCC[NH3+])CC[C@H]1[NH3+] 647497601 375649261 /nfs/dbraw/zinc/64/92/61/375649261.db2.gz NNHKIYCMOZQULL-NXEZZACHSA-N 3 2 185.315 0.394 20 0 ACADLP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1CCC[NH3+] 647508104 375649277 /nfs/dbraw/zinc/64/92/77/375649277.db2.gz HRRJFGJGTLFNOX-BDAKNGLRSA-N 3 2 171.288 0.004 20 0 ACADLP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1CCC[NH3+] 647508104 375649280 /nfs/dbraw/zinc/64/92/80/375649280.db2.gz HRRJFGJGTLFNOX-BDAKNGLRSA-N 3 2 171.288 0.004 20 0 ACADLP C[NH2+]C[C@@H]1CCC[N@@H+]1CCC[NH3+] 647504908 375649322 /nfs/dbraw/zinc/64/93/22/375649322.db2.gz ZLUDTIAOLFSFQW-VIFPVBQESA-N 3 2 171.288 0.019 20 0 ACADLP C[NH2+]C[C@@H]1CCC[N@H+]1CCC[NH3+] 647504908 375649326 /nfs/dbraw/zinc/64/93/26/375649326.db2.gz ZLUDTIAOLFSFQW-VIFPVBQESA-N 3 2 171.288 0.019 20 0 ACADLP CC[C@@H]1C[N@H+](CCC[NH3+])CC[C@@H]1[NH3+] 647497604 375649384 /nfs/dbraw/zinc/64/93/84/375649384.db2.gz NNHKIYCMOZQULL-ZJUUUORDSA-N 3 2 185.315 0.394 20 0 ACADLP CC[C@@H]1C[N@@H+](CCC[NH3+])CC[C@@H]1[NH3+] 647497604 375649386 /nfs/dbraw/zinc/64/93/86/375649386.db2.gz NNHKIYCMOZQULL-ZJUUUORDSA-N 3 2 185.315 0.394 20 0 ACADLP C[C@@H]([NH3+])[C@H]1CCC[N@H+](CCC[NH3+])C1 647496530 375649430 /nfs/dbraw/zinc/64/94/30/375649430.db2.gz RAZIOFINKTZSEO-ZJUUUORDSA-N 3 2 185.315 0.394 20 0 ACADLP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](CCC[NH3+])C1 647496530 375649435 /nfs/dbraw/zinc/64/94/35/375649435.db2.gz RAZIOFINKTZSEO-ZJUUUORDSA-N 3 2 185.315 0.394 20 0 ACADLP C[N@H+](CCC[NH3+])CC(C)(C)C[NH3+] 647505240 375649506 /nfs/dbraw/zinc/64/95/06/375649506.db2.gz MXAGLBGVKYLVKP-UHFFFAOYSA-N 3 2 173.304 0.252 20 0 ACADLP C[N@@H+](CCC[NH3+])CC(C)(C)C[NH3+] 647505240 375649510 /nfs/dbraw/zinc/64/95/10/375649510.db2.gz MXAGLBGVKYLVKP-UHFFFAOYSA-N 3 2 173.304 0.252 20 0 ACADLP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1CCC[NH3+] 647508105 375649526 /nfs/dbraw/zinc/64/95/26/375649526.db2.gz HRRJFGJGTLFNOX-DTWKUNHWSA-N 3 2 171.288 0.004 20 0 ACADLP C[C@H]1C[C@H](C[NH3+])C[N@H+]1CCC[NH3+] 647508105 375649530 /nfs/dbraw/zinc/64/95/30/375649530.db2.gz HRRJFGJGTLFNOX-DTWKUNHWSA-N 3 2 171.288 0.004 20 0 ACADLP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1CCC[NH3+] 647508106 375649580 /nfs/dbraw/zinc/64/95/80/375649580.db2.gz HRRJFGJGTLFNOX-IUCAKERBSA-N 3 2 171.288 0.004 20 0 ACADLP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1CCC[NH3+] 647508106 375649584 /nfs/dbraw/zinc/64/95/84/375649584.db2.gz HRRJFGJGTLFNOX-IUCAKERBSA-N 3 2 171.288 0.004 20 0 ACADLP C[C@H]([NH3+])[C@H]1CCC[N@H+](CCC[NH3+])C1 647496528 375649639 /nfs/dbraw/zinc/64/96/39/375649639.db2.gz RAZIOFINKTZSEO-UWVGGRQHSA-N 3 2 185.315 0.394 20 0 ACADLP C[C@H]([NH3+])[C@H]1CCC[N@@H+](CCC[NH3+])C1 647496528 375649643 /nfs/dbraw/zinc/64/96/43/375649643.db2.gz RAZIOFINKTZSEO-UWVGGRQHSA-N 3 2 185.315 0.394 20 0 ACADLP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1CCC[NH3+] 647508107 375649654 /nfs/dbraw/zinc/64/96/54/375649654.db2.gz HRRJFGJGTLFNOX-RKDXNWHRSA-N 3 2 171.288 0.004 20 0 ACADLP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1CCC[NH3+] 647508107 375649656 /nfs/dbraw/zinc/64/96/56/375649656.db2.gz HRRJFGJGTLFNOX-RKDXNWHRSA-N 3 2 171.288 0.004 20 0 ACADLP CC[C@H]1C[N@H+](CCC[NH3+])CC[C@@H]1[NH3+] 647497602 375649699 /nfs/dbraw/zinc/64/96/99/375649699.db2.gz NNHKIYCMOZQULL-UWVGGRQHSA-N 3 2 185.315 0.394 20 0 ACADLP CC[C@H]1C[N@@H+](CCC[NH3+])CC[C@@H]1[NH3+] 647497602 375649704 /nfs/dbraw/zinc/64/97/04/375649704.db2.gz NNHKIYCMOZQULL-UWVGGRQHSA-N 3 2 185.315 0.394 20 0 ACADLP CC1([NH3+])CC[NH+](CCC[NH3+])CC1 647530779 375651444 /nfs/dbraw/zinc/65/14/44/375651444.db2.gz FGVZZJKUPZSLCP-UHFFFAOYSA-N 3 2 171.288 0.148 20 0 ACADLP C[C@@]1(C[NH3+])CC[N@H+](CCC[NH3+])C1 647536640 375652865 /nfs/dbraw/zinc/65/28/65/375652865.db2.gz OMAXXNNMPASIJV-VIFPVBQESA-N 3 2 171.288 0.006 20 0 ACADLP C[C@@]1(C[NH3+])CC[N@@H+](CCC[NH3+])C1 647536640 375652871 /nfs/dbraw/zinc/65/28/71/375652871.db2.gz OMAXXNNMPASIJV-VIFPVBQESA-N 3 2 171.288 0.006 20 0 ACADLP C[C@]1(C[NH3+])CC[N@H+](CCC[NH3+])C1 647536639 375653219 /nfs/dbraw/zinc/65/32/19/375653219.db2.gz OMAXXNNMPASIJV-SECBINFHSA-N 3 2 171.288 0.006 20 0 ACADLP C[C@]1(C[NH3+])CC[N@@H+](CCC[NH3+])C1 647536639 375653221 /nfs/dbraw/zinc/65/32/21/375653221.db2.gz OMAXXNNMPASIJV-SECBINFHSA-N 3 2 171.288 0.006 20 0 ACADLP [NH3+]CCC[N@H+]1CCCC[C@@H]1CC[NH3+] 647541238 375653968 /nfs/dbraw/zinc/65/39/68/375653968.db2.gz OQRGCJPWRZGMAK-SNVBAGLBSA-N 3 2 185.315 0.539 20 0 ACADLP [NH3+]CCC[N@@H+]1CCCC[C@@H]1CC[NH3+] 647541238 375653964 /nfs/dbraw/zinc/65/39/64/375653964.db2.gz OQRGCJPWRZGMAK-SNVBAGLBSA-N 3 2 185.315 0.539 20 0 ACADLP [NH3+]CCC[N@@H+]1CCCC[C@H]1CC[NH3+] 647541237 375654059 /nfs/dbraw/zinc/65/40/59/375654059.db2.gz OQRGCJPWRZGMAK-JTQLQIEISA-N 3 2 185.315 0.539 20 0 ACADLP [NH3+]CCC[N@H+]1CCCC[C@H]1CC[NH3+] 647541237 375654063 /nfs/dbraw/zinc/65/40/63/375654063.db2.gz OQRGCJPWRZGMAK-JTQLQIEISA-N 3 2 185.315 0.539 20 0 ACADLP CC(C)([NH3+])C[NH2+]CC1([NH3+])CCCCC1 647546170 375655912 /nfs/dbraw/zinc/65/59/12/375655912.db2.gz CEZLPHKBJFVFBO-UHFFFAOYSA-N 3 2 199.342 0.975 20 0 ACADLP CCC([NH3+])(CC)C[NH2+]CC(C)(C)[NH3+] 647546241 375655991 /nfs/dbraw/zinc/65/59/91/375655991.db2.gz GOKCAWSBZGCMHS-UHFFFAOYSA-N 3 2 187.331 0.831 20 0 ACADLP CC(C)[C@H]([NH3+])C[NH2+]CC(C)(C)[NH3+] 647546171 375656276 /nfs/dbraw/zinc/65/62/76/375656276.db2.gz CKIXPYRTKQLGNE-MRVPVSSYSA-N 3 2 173.304 0.297 20 0 ACADLP CC(C)[C@@H]([NH3+])C[NH2+]CC(C)(C)[NH3+] 647546172 375656552 /nfs/dbraw/zinc/65/65/52/375656552.db2.gz CKIXPYRTKQLGNE-QMMMGPOBSA-N 3 2 173.304 0.297 20 0 ACADLP CC(C)([NH3+])C[NH2+]CC1([NH3+])CCC1 647546776 375657267 /nfs/dbraw/zinc/65/72/67/375657267.db2.gz AZQODQYDAQPPNX-UHFFFAOYSA-N 3 2 171.288 0.195 20 0 ACADLP CC(C)([NH3+])C[NH2+]C[C@@H]1CCC[NH2+]C1 647546578 375657316 /nfs/dbraw/zinc/65/73/16/375657316.db2.gz QBRXNWKUTHTZPM-SECBINFHSA-N 3 2 185.315 0.313 20 0 ACADLP CC(C)([NH3+])C[NH2+]C[C@H]1CCC[NH2+]C1 647546579 375657406 /nfs/dbraw/zinc/65/74/06/375657406.db2.gz QBRXNWKUTHTZPM-VIFPVBQESA-N 3 2 185.315 0.313 20 0 ACADLP CC(C)([NH3+])C[NH2+][C@@H]1CCC[NH2+]CC1 647547062 375658318 /nfs/dbraw/zinc/65/83/18/375658318.db2.gz MHSGEEAWROLOKG-SECBINFHSA-N 3 2 185.315 0.455 20 0 ACADLP C1C[NH2+]CC[C@H]([NH2+][C@@H]2CCC[NH2+]C2)C1 647547040 375658328 /nfs/dbraw/zinc/65/83/28/375658328.db2.gz LXRJCRBHHRNIAO-GHMZBOCLSA-N 3 2 197.326 0.470 20 0 ACADLP CC(C)([NH3+])C[NH2+][C@H]1CCC[NH2+]CC1 647547063 375658472 /nfs/dbraw/zinc/65/84/72/375658472.db2.gz MHSGEEAWROLOKG-VIFPVBQESA-N 3 2 185.315 0.455 20 0 ACADLP C1C[NH2+]CC[C@@H]([NH2+][C@H]2CCC[NH2+]C2)C1 647547042 375658663 /nfs/dbraw/zinc/65/86/63/375658663.db2.gz LXRJCRBHHRNIAO-QWRGUYRKSA-N 3 2 197.326 0.470 20 0 ACADLP C1C[NH2+]C[C@@H]([NH2+][C@@H]2CCC[NH2+]CC2)C1 647547041 375658781 /nfs/dbraw/zinc/65/87/81/375658781.db2.gz LXRJCRBHHRNIAO-MNOVXSKESA-N 3 2 197.326 0.470 20 0 ACADLP CC(C)([NH3+])C[NH2+]C[C@@]1(C)CCC[NH2+]C1 647546927 375658852 /nfs/dbraw/zinc/65/88/52/375658852.db2.gz HKSZXOTWTOSGTI-NSHDSACASA-N 3 2 199.342 0.703 20 0 ACADLP CC(C)([NH3+])C[NH2+]C[C@]1(C)CCC[NH2+]C1 647546926 375658861 /nfs/dbraw/zinc/65/88/61/375658861.db2.gz HKSZXOTWTOSGTI-LLVKDONJSA-N 3 2 199.342 0.703 20 0 ACADLP C1C[NH2+]CC[C@@H]([NH2+][C@@H]2CCC[NH2+]C2)C1 647547043 375658896 /nfs/dbraw/zinc/65/88/96/375658896.db2.gz LXRJCRBHHRNIAO-WDEREUQCSA-N 3 2 197.326 0.470 20 0 ACADLP [NH3+][C@@H]1CCC[C@@H]([NH2+][C@H]2CCC[NH2+]C2)C1 647547147 375659478 /nfs/dbraw/zinc/65/94/78/375659478.db2.gz PETLXYWJHWFFMJ-MXWKQRLJSA-N 3 2 197.326 0.598 20 0 ACADLP [NH3+][C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[NH2+]C2)C1 647547148 375659637 /nfs/dbraw/zinc/65/96/37/375659637.db2.gz PETLXYWJHWFFMJ-OUAUKWLOSA-N 3 2 197.326 0.598 20 0 ACADLP [NH3+][C@@H]1CCC[C@@H]([NH2+][C@@H]2CCC[NH2+]C2)C1 647547146 375659673 /nfs/dbraw/zinc/65/96/73/375659673.db2.gz PETLXYWJHWFFMJ-GMTAPVOTSA-N 3 2 197.326 0.598 20 0 ACADLP CC[C@H]([NH3+])C[NH2+]CC(C)(C)[NH3+] 647547431 375659771 /nfs/dbraw/zinc/65/97/71/375659771.db2.gz WGFCXRONTPTKAF-ZETCQYMHSA-N 3 2 159.277 0.051 20 0 ACADLP [NH3+][C@@H]1CCC[C@H]([NH2+][C@H]2CCC[NH2+]C2)C1 647547149 375659781 /nfs/dbraw/zinc/65/97/81/375659781.db2.gz PETLXYWJHWFFMJ-VWYCJHECSA-N 3 2 197.326 0.598 20 0 ACADLP CC[C@@H]([NH3+])C[NH2+]CC(C)(C)[NH3+] 647547430 375660005 /nfs/dbraw/zinc/66/00/05/375660005.db2.gz WGFCXRONTPTKAF-SSDOTTSWSA-N 3 2 159.277 0.051 20 0 ACADLP C[C@H](CC[NH3+])[NH2+]CC(C)(C)[NH3+] 647547419 375660086 /nfs/dbraw/zinc/66/00/86/375660086.db2.gz VVOPZIARSKALRH-SSDOTTSWSA-N 3 2 159.277 0.051 20 0 ACADLP C[C@@H](CC[NH3+])[NH2+]CC(C)(C)[NH3+] 647547420 375660099 /nfs/dbraw/zinc/66/00/99/375660099.db2.gz VVOPZIARSKALRH-ZETCQYMHSA-N 3 2 159.277 0.051 20 0 ACADLP CC(C)([NH3+])C[NH2+]C[C@@H]([NH3+])C1CC1 647547507 375661020 /nfs/dbraw/zinc/66/10/20/375661020.db2.gz YBNVWSSBQQHJSW-MRVPVSSYSA-N 3 2 171.288 0.051 20 0 ACADLP CC(C)([NH3+])C[NH2+]C[C@H]([NH3+])C1CC1 647547508 375661182 /nfs/dbraw/zinc/66/11/82/375661182.db2.gz YBNVWSSBQQHJSW-QMMMGPOBSA-N 3 2 171.288 0.051 20 0 ACADLP CC(C)([NH3+])C[NH2+]CCC[NH2+]C1CC1 647548014 375661250 /nfs/dbraw/zinc/66/12/50/375661250.db2.gz RESNBBPMDBQHPL-UHFFFAOYSA-N 3 2 185.315 0.455 20 0 ACADLP C[C@H]([NH3+])C[C@@H](C)[NH2+][C@H]1CC[NH2+]C1 647552288 375661933 /nfs/dbraw/zinc/66/19/33/375661933.db2.gz PCEJOPWPMYDXLK-YIZRAAEISA-N 3 2 171.288 0.064 20 0 ACADLP C[NH2+]CCC[N@H+](C)C[C@@H]1CCC[NH2+]C1 647552156 375661941 /nfs/dbraw/zinc/66/19/41/375661941.db2.gz JDEYVBCECYKCCW-LLVKDONJSA-N 3 2 199.342 0.527 20 0 ACADLP C[NH2+]CCC[N@@H+](C)C[C@@H]1CCC[NH2+]C1 647552156 375661945 /nfs/dbraw/zinc/66/19/45/375661945.db2.gz JDEYVBCECYKCCW-LLVKDONJSA-N 3 2 199.342 0.527 20 0 ACADLP C[C@H]([NH3+])C[C@@H](C)[NH2+]CC(C)(C)[NH3+] 647552338 375662037 /nfs/dbraw/zinc/66/20/37/375662037.db2.gz SKLNCJAHAJHNSW-JGVFFNPUSA-N 3 2 173.304 0.439 20 0 ACADLP C[C@@H](C[C@@H](C)[NH3+])[NH2+]CC(C)(C)[NH3+] 647552339 375662064 /nfs/dbraw/zinc/66/20/64/375662064.db2.gz SKLNCJAHAJHNSW-SFYZADRCSA-N 3 2 173.304 0.439 20 0 ACADLP C[C@@H]([NH3+])C[C@@H](C)[NH2+]CC(C)(C)[NH3+] 647552337 375662288 /nfs/dbraw/zinc/66/22/88/375662288.db2.gz SKLNCJAHAJHNSW-HTQZYQBOSA-N 3 2 173.304 0.439 20 0 ACADLP C[C@H]([NH3+])C[C@H](C)[NH2+]CC(C)(C)[NH3+] 647552340 375662524 /nfs/dbraw/zinc/66/25/24/375662524.db2.gz SKLNCJAHAJHNSW-YUMQZZPRSA-N 3 2 173.304 0.439 20 0 ACADLP C[C@H]([NH3+])C[C@H](C)[NH2+][C@H]1CC[NH2+]C1 647552287 375662649 /nfs/dbraw/zinc/66/26/49/375662649.db2.gz PCEJOPWPMYDXLK-CIUDSAMLSA-N 3 2 171.288 0.064 20 0 ACADLP C[NH2+]CCC[N@H+](C)C[C@H]1CCC[NH2+]C1 647552157 375662963 /nfs/dbraw/zinc/66/29/63/375662963.db2.gz JDEYVBCECYKCCW-NSHDSACASA-N 3 2 199.342 0.527 20 0 ACADLP C[NH2+]CCC[N@@H+](C)C[C@H]1CCC[NH2+]C1 647552157 375662966 /nfs/dbraw/zinc/66/29/66/375662966.db2.gz JDEYVBCECYKCCW-NSHDSACASA-N 3 2 199.342 0.527 20 0 ACADLP C[C@H]([NH3+])C[C@H](C)[NH2+][C@H]1CCC[NH2+]C1 647552403 375663310 /nfs/dbraw/zinc/66/33/10/375663310.db2.gz YZXGNQWSZAUOKO-GUBZILKMSA-N 3 2 185.315 0.454 20 0 ACADLP C[C@H]([NH3+])C[C@@H](C)[NH2+][C@H]1CCC[NH2+]C1 647552402 375663353 /nfs/dbraw/zinc/66/33/53/375663353.db2.gz YZXGNQWSZAUOKO-AEJSXWLSSA-N 3 2 185.315 0.454 20 0 ACADLP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H]1CCC[NH2+]C1 647552405 375663364 /nfs/dbraw/zinc/66/33/64/375663364.db2.gz YZXGNQWSZAUOKO-LPEHRKFASA-N 3 2 185.315 0.454 20 0 ACADLP Cc1[nH]ncc1C[NH2+][C@H](C)C[C@@H](C)[NH3+] 647552602 375663580 /nfs/dbraw/zinc/66/35/80/375663580.db2.gz KLPCXOQBPKKHSU-HTQZYQBOSA-N 2 2 196.298 0.934 20 0 ACADLP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1cn(C)nn1 647552624 375663693 /nfs/dbraw/zinc/66/36/93/375663693.db2.gz MEWBRCKUPSVWTF-HTQZYQBOSA-N 2 2 197.286 0.031 20 0 ACADLP Cc1[nH]ncc1C[NH2+][C@@H](C)C[C@@H](C)[NH3+] 647552604 375663711 /nfs/dbraw/zinc/66/37/11/375663711.db2.gz KLPCXOQBPKKHSU-SFYZADRCSA-N 2 2 196.298 0.934 20 0 ACADLP C[C@H]([NH3+])C[C@@H](C)[NH2+][C@@H]1CCC[NH2+]C1 647552404 375663914 /nfs/dbraw/zinc/66/39/14/375663914.db2.gz YZXGNQWSZAUOKO-IVZWLZJFSA-N 3 2 185.315 0.454 20 0 ACADLP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1cn(C)nn1 647552627 375664080 /nfs/dbraw/zinc/66/40/80/375664080.db2.gz MEWBRCKUPSVWTF-YUMQZZPRSA-N 2 2 197.286 0.031 20 0 ACADLP Cc1[nH]ncc1C[NH2+][C@H](C)C[C@H](C)[NH3+] 647552603 375664111 /nfs/dbraw/zinc/66/41/11/375664111.db2.gz KLPCXOQBPKKHSU-JGVFFNPUSA-N 2 2 196.298 0.934 20 0 ACADLP Cc1[nH]ncc1C[NH2+][C@@H](C)C[C@H](C)[NH3+] 647552605 375664136 /nfs/dbraw/zinc/66/41/36/375664136.db2.gz KLPCXOQBPKKHSU-YUMQZZPRSA-N 2 2 196.298 0.934 20 0 ACADLP C[C@@H](C[C@@H](C)[NH3+])[NH2+]Cc1cn(C)nn1 647552626 375664210 /nfs/dbraw/zinc/66/42/10/375664210.db2.gz MEWBRCKUPSVWTF-SFYZADRCSA-N 2 2 197.286 0.031 20 0 ACADLP Nc1cc(CN2CC[C@@H]([NH3+])C2)cc[nH+]1 647809302 375667487 /nfs/dbraw/zinc/66/74/87/375667487.db2.gz GBBFDSMOKCZYQW-SECBINFHSA-N 2 2 192.266 0.027 20 0 ACADLP Nc1cc(CN2CC[C@H]([NH3+])C2)cc[nH+]1 647829331 375667533 /nfs/dbraw/zinc/66/75/33/375667533.db2.gz GBBFDSMOKCZYQW-VIFPVBQESA-N 2 2 192.266 0.027 20 0 ACADLP C[NH2+][C@H]1CC[N@H+](CC[C@H]2CC[NH2+]C2)C1 647809808 375667578 /nfs/dbraw/zinc/66/75/78/375667578.db2.gz CWPJFHOBOZNYHB-MNOVXSKESA-N 3 2 197.326 0.280 20 0 ACADLP C[NH2+][C@H]1CC[N@@H+](CC[C@H]2CC[NH2+]C2)C1 647809808 375667582 /nfs/dbraw/zinc/66/75/82/375667582.db2.gz CWPJFHOBOZNYHB-MNOVXSKESA-N 3 2 197.326 0.280 20 0 ACADLP C[NH2+][C@@H]1CC[N@H+](CC[C@H]2CC[NH2+]C2)C1 647809807 375667592 /nfs/dbraw/zinc/66/75/92/375667592.db2.gz CWPJFHOBOZNYHB-GHMZBOCLSA-N 3 2 197.326 0.280 20 0 ACADLP C[NH2+][C@@H]1CC[N@@H+](CC[C@H]2CC[NH2+]C2)C1 647809807 375667596 /nfs/dbraw/zinc/66/75/96/375667596.db2.gz CWPJFHOBOZNYHB-GHMZBOCLSA-N 3 2 197.326 0.280 20 0 ACADLP C[C@H]1CC[NH2+]C[C@@H]1[NH2+][C@@H]1CO[C@H](C)C1 647804281 375667623 /nfs/dbraw/zinc/66/76/23/375667623.db2.gz NIQDZECKSLWDSZ-VLEAKVRGSA-N 2 2 198.310 0.751 20 0 ACADLP C[C@H]1CC[NH2+]C[C@H]1[NH2+][C@@H]1CO[C@H](C)C1 647804283 375667707 /nfs/dbraw/zinc/66/77/07/375667707.db2.gz NIQDZECKSLWDSZ-ZRUFSTJUSA-N 2 2 198.310 0.751 20 0 ACADLP C[C@@H]1C[C@H]([NH2+][C@H]2C[NH2+]CC[C@H]2C)CO1 647804282 375667965 /nfs/dbraw/zinc/66/79/65/375667965.db2.gz NIQDZECKSLWDSZ-ZNSHCXBVSA-N 2 2 198.310 0.751 20 0 ACADLP C[NH2+][C@@H]1CC[N@H+](CC[C@@H]2CC[NH2+]C2)C1 647809810 375668133 /nfs/dbraw/zinc/66/81/33/375668133.db2.gz CWPJFHOBOZNYHB-WDEREUQCSA-N 3 2 197.326 0.280 20 0 ACADLP C[NH2+][C@@H]1CC[N@@H+](CC[C@@H]2CC[NH2+]C2)C1 647809810 375668139 /nfs/dbraw/zinc/66/81/39/375668139.db2.gz CWPJFHOBOZNYHB-WDEREUQCSA-N 3 2 197.326 0.280 20 0 ACADLP C[NH2+][C@H]1CC[N@H+](CC[C@@H]2CC[NH2+]C2)C1 647809809 375668150 /nfs/dbraw/zinc/66/81/50/375668150.db2.gz CWPJFHOBOZNYHB-QWRGUYRKSA-N 3 2 197.326 0.280 20 0 ACADLP C[NH2+][C@H]1CC[N@@H+](CC[C@@H]2CC[NH2+]C2)C1 647809809 375668156 /nfs/dbraw/zinc/66/81/56/375668156.db2.gz CWPJFHOBOZNYHB-QWRGUYRKSA-N 3 2 197.326 0.280 20 0 ACADLP C[C@@H]1C[C@H]([NH2+][C@@H]2C[NH2+]CC[C@H]2C)CO1 647804280 375668311 /nfs/dbraw/zinc/66/83/11/375668311.db2.gz NIQDZECKSLWDSZ-CHWFTXMASA-N 2 2 198.310 0.751 20 0 ACADLP C[C@H](C[NH3+])[N@H+](C)Cc1ccnc(N)c1 647843209 375668991 /nfs/dbraw/zinc/66/89/91/375668991.db2.gz VJWPURYIDDSRRZ-MRVPVSSYSA-N 2 2 194.282 0.273 20 0 ACADLP C[C@H](C[NH3+])[N@@H+](C)Cc1ccnc(N)c1 647843209 375668996 /nfs/dbraw/zinc/66/89/96/375668996.db2.gz VJWPURYIDDSRRZ-MRVPVSSYSA-N 2 2 194.282 0.273 20 0 ACADLP C[C@H](C[NH3+])N(C)Cc1cc[nH+]c(N)c1 647843209 375669001 /nfs/dbraw/zinc/66/90/01/375669001.db2.gz VJWPURYIDDSRRZ-MRVPVSSYSA-N 2 2 194.282 0.273 20 0 ACADLP C[C@@H](C[NH3+])[N@H+](C)Cc1ccnc(N)c1 647843210 375669121 /nfs/dbraw/zinc/66/91/21/375669121.db2.gz VJWPURYIDDSRRZ-QMMMGPOBSA-N 2 2 194.282 0.273 20 0 ACADLP C[C@@H](C[NH3+])[N@@H+](C)Cc1ccnc(N)c1 647843210 375669127 /nfs/dbraw/zinc/66/91/27/375669127.db2.gz VJWPURYIDDSRRZ-QMMMGPOBSA-N 2 2 194.282 0.273 20 0 ACADLP C[C@@H](C[NH3+])N(C)Cc1cc[nH+]c(N)c1 647843210 375669132 /nfs/dbraw/zinc/66/91/32/375669132.db2.gz VJWPURYIDDSRRZ-QMMMGPOBSA-N 2 2 194.282 0.273 20 0 ACADLP C[C@@](C[NH3+])([NH2+]CCF)C1CC1 647868546 375670382 /nfs/dbraw/zinc/67/03/82/375670382.db2.gz NSIXBBZHCFLPSQ-QMMMGPOBSA-N 2 2 160.236 0.673 20 0 ACADLP C[C@@](C[NH3+])([NH2+]CCC[NH3+])C1CC1 647867927 375670429 /nfs/dbraw/zinc/67/04/29/375670429.db2.gz JYUKELMCKHLXDX-VIFPVBQESA-N 3 2 171.288 0.052 20 0 ACADLP C[C@](C[NH3+])([NH2+]CCF)C1CC1 647868545 375670541 /nfs/dbraw/zinc/67/05/41/375670541.db2.gz NSIXBBZHCFLPSQ-MRVPVSSYSA-N 2 2 160.236 0.673 20 0 ACADLP CC(C)[C@](C)(C[NH3+])[NH2+]CCF 647869503 375671562 /nfs/dbraw/zinc/67/15/62/375671562.db2.gz GMPRSJXFXMJTEZ-QMMMGPOBSA-N 2 2 162.252 0.919 20 0 ACADLP CC(C)[C@@](C)(C[NH3+])[NH2+]CCF 647869501 375671615 /nfs/dbraw/zinc/67/16/15/375671615.db2.gz GMPRSJXFXMJTEZ-MRVPVSSYSA-N 2 2 162.252 0.919 20 0 ACADLP CC(C)[C@@](C)(C[NH3+])[NH2+]CCC[NH3+] 647869165 375672038 /nfs/dbraw/zinc/67/20/38/375672038.db2.gz ORRQXLVFEDDKAQ-SECBINFHSA-N 3 2 173.304 0.298 20 0 ACADLP CC(C)[C@](C)(C[NH3+])[NH2+]CCC[NH3+] 647869166 375672121 /nfs/dbraw/zinc/67/21/21/375672121.db2.gz ORRQXLVFEDDKAQ-VIFPVBQESA-N 3 2 173.304 0.298 20 0 ACADLP Cn1nccc1C[NH2+]CC1([NH3+])CCC1 647907591 375675050 /nfs/dbraw/zinc/67/50/50/375675050.db2.gz FYBOQWSNNJXCSI-UHFFFAOYSA-N 2 2 194.282 0.391 20 0 ACADLP COCCC[N@@H+]1CCc2[nH+]c[nH]c2C1 647932960 375676550 /nfs/dbraw/zinc/67/65/50/375676550.db2.gz WMIPVSJTLXDFKY-UHFFFAOYSA-N 2 2 195.266 0.804 20 0 ACADLP COCCC[N@H+]1CCc2[nH+]c[nH]c2C1 647932960 375676554 /nfs/dbraw/zinc/67/65/54/375676554.db2.gz WMIPVSJTLXDFKY-UHFFFAOYSA-N 2 2 195.266 0.804 20 0 ACADLP C[C@H]([NH3+])C[N@@H+](C)CCc1nccs1 647990385 375684040 /nfs/dbraw/zinc/68/40/40/375684040.db2.gz VXBAHKDIGUVBJJ-QMMMGPOBSA-N 2 2 199.323 0.965 20 0 ACADLP [NH3+][C@@H]1CCCC[C@H]1[NH2+]C[C@H]1CC[NH2+]C1 647995386 375685819 /nfs/dbraw/zinc/68/58/19/375685819.db2.gz SQTKZHRLUHOJHS-HBNTYKKESA-N 3 2 197.326 0.455 20 0 ACADLP COCCC[N@@H+]1CCn2c[nH+]cc2C1 647938197 375678147 /nfs/dbraw/zinc/67/81/47/375678147.db2.gz UTJRRMVKODHSFE-UHFFFAOYSA-N 2 2 195.266 0.735 20 0 ACADLP COCCC[N@H+]1CCn2c[nH+]cc2C1 647938197 375678152 /nfs/dbraw/zinc/67/81/52/375678152.db2.gz UTJRRMVKODHSFE-UHFFFAOYSA-N 2 2 195.266 0.735 20 0 ACADLP [NH3+]CC[NH2+][C@@H](C[NH3+])C1CCCCC1 647987979 375681842 /nfs/dbraw/zinc/68/18/42/375681842.db2.gz BAIIIRFSWFTAEF-JTQLQIEISA-N 3 2 185.315 0.442 20 0 ACADLP C[NH2+]CCC[NH2+][C@@H]1[C@@H](C)CC[NH2+][C@H]1C 647988068 375681879 /nfs/dbraw/zinc/68/18/79/375681879.db2.gz LVBYVVNVTOWOMX-GARJFASQSA-N 3 2 199.342 0.572 20 0 ACADLP C[NH2+]CCC[NH2+][C@@H]1[C@H](C)CC[NH2+][C@@H]1C 647988069 375681889 /nfs/dbraw/zinc/68/18/89/375681889.db2.gz LVBYVVNVTOWOMX-GMTAPVOTSA-N 3 2 199.342 0.572 20 0 ACADLP C[NH2+]CCC[NH2+][C@@H](C[NH3+])C(C)(C)C 647988083 375681903 /nfs/dbraw/zinc/68/19/03/375681903.db2.gz MNJZTUXMMVHRKN-VIFPVBQESA-N 3 2 187.331 0.559 20 0 ACADLP C[N@H+](C[C@@H]1CC[NH2+]C1)C1CC([NH3+])C1 647982671 375681926 /nfs/dbraw/zinc/68/19/26/375681926.db2.gz UXPUAKRWTKMUHN-XNWIYYODSA-N 3 2 183.299 0.017 20 0 ACADLP C[N@@H+](C[C@@H]1CC[NH2+]C1)C1CC([NH3+])C1 647982671 375681929 /nfs/dbraw/zinc/68/19/29/375681929.db2.gz UXPUAKRWTKMUHN-XNWIYYODSA-N 3 2 183.299 0.017 20 0 ACADLP C[C@@H]([NH3+])C[NH2+][C@@H](C[NH3+])C(C)(C)C 647988118 375681970 /nfs/dbraw/zinc/68/19/70/375681970.db2.gz QHVIEMIXKBWJNQ-SFYZADRCSA-N 3 2 173.304 0.297 20 0 ACADLP C[NH2+]CCC[NH2+][C@H]1[C@H](C)[NH2+]CC[C@H]1C 647988071 375682015 /nfs/dbraw/zinc/68/20/15/375682015.db2.gz LVBYVVNVTOWOMX-OUAUKWLOSA-N 3 2 199.342 0.572 20 0 ACADLP C[C@H]([NH3+])C[NH2+][C@@H](C[NH3+])C(C)(C)C 647988119 375682023 /nfs/dbraw/zinc/68/20/23/375682023.db2.gz QHVIEMIXKBWJNQ-YUMQZZPRSA-N 3 2 173.304 0.297 20 0 ACADLP C[N@H+](C[C@H]1CC[NH2+]C1)C1CC([NH3+])C1 647982670 375682050 /nfs/dbraw/zinc/68/20/50/375682050.db2.gz UXPUAKRWTKMUHN-IDKOKCKLSA-N 3 2 183.299 0.017 20 0 ACADLP C[N@@H+](C[C@H]1CC[NH2+]C1)C1CC([NH3+])C1 647982670 375682053 /nfs/dbraw/zinc/68/20/53/375682053.db2.gz UXPUAKRWTKMUHN-IDKOKCKLSA-N 3 2 183.299 0.017 20 0 ACADLP [NH3+]CC[NH2+][C@H](C[NH3+])C1CCCCC1 647987980 375682110 /nfs/dbraw/zinc/68/21/10/375682110.db2.gz BAIIIRFSWFTAEF-SNVBAGLBSA-N 3 2 185.315 0.442 20 0 ACADLP CC(C)(C)[C@@H](C[NH3+])[NH2+]C[C@@H]1CC[NH2+]C1 647988122 375682140 /nfs/dbraw/zinc/68/21/40/375682140.db2.gz RHECQDWBYUKIKZ-NXEZZACHSA-N 3 2 199.342 0.559 20 0 ACADLP CC(C)(C)[C@H](C[NH3+])[NH2+]C[C@H]1CC[NH2+]C1 647988123 375682179 /nfs/dbraw/zinc/68/21/79/375682179.db2.gz RHECQDWBYUKIKZ-UWVGGRQHSA-N 3 2 199.342 0.559 20 0 ACADLP C[NH2+]CCC[NH2+][C@H](C[NH3+])C(C)(C)C 647988082 375682214 /nfs/dbraw/zinc/68/22/14/375682214.db2.gz MNJZTUXMMVHRKN-SECBINFHSA-N 3 2 187.331 0.559 20 0 ACADLP C[NH2+]CCC[N@H+](C)C1CC([NH3+])C1 647982634 375682333 /nfs/dbraw/zinc/68/23/33/375682333.db2.gz KXOJMCCYVUWATJ-UHFFFAOYSA-N 3 2 171.288 0.017 20 0 ACADLP C[NH2+]CCC[N@@H+](C)C1CC([NH3+])C1 647982634 375682337 /nfs/dbraw/zinc/68/23/37/375682337.db2.gz KXOJMCCYVUWATJ-UHFFFAOYSA-N 3 2 171.288 0.017 20 0 ACADLP C[NH2+]CCC[NH2+][C@@H]1[C@@H](C)CC[NH2+][C@@H]1C 647988070 375682357 /nfs/dbraw/zinc/68/23/57/375682357.db2.gz LVBYVVNVTOWOMX-HBNTYKKESA-N 3 2 199.342 0.572 20 0 ACADLP C[C@@H]([NH3+])C[N@H+](C)CCc1nccs1 647990384 375683235 /nfs/dbraw/zinc/68/32/35/375683235.db2.gz VXBAHKDIGUVBJJ-MRVPVSSYSA-N 2 2 199.323 0.965 20 0 ACADLP C[C@@H]([NH3+])C[N@@H+](C)CCc1nccs1 647990384 375683239 /nfs/dbraw/zinc/68/32/39/375683239.db2.gz VXBAHKDIGUVBJJ-MRVPVSSYSA-N 2 2 199.323 0.965 20 0 ACADLP C[C@H]([NH3+])C[N@H+](C)C1(C(N)=O)CCCC1 647989670 375683326 /nfs/dbraw/zinc/68/33/26/375683326.db2.gz VILXLMZZNZFALP-QMMMGPOBSA-N 2 2 199.298 0.064 20 0 ACADLP C[C@H]([NH3+])C[N@@H+](C)C1(C(N)=O)CCCC1 647989670 375683329 /nfs/dbraw/zinc/68/33/29/375683329.db2.gz VILXLMZZNZFALP-QMMMGPOBSA-N 2 2 199.298 0.064 20 0 ACADLP C[C@H]([NH3+])C[NH2+][C@H](C[NH3+])C1CCCCC1 647988158 375683599 /nfs/dbraw/zinc/68/35/99/375683599.db2.gz WBUXVBKFVJTFFY-GXSJLCMTSA-N 3 2 199.342 0.831 20 0 ACADLP CC(C)(C)[C@H](C[NH3+])[NH2+]C[C@@H]1CC[NH2+]C1 647988125 375683698 /nfs/dbraw/zinc/68/36/98/375683698.db2.gz RHECQDWBYUKIKZ-ZJUUUORDSA-N 3 2 199.342 0.559 20 0 ACADLP C[N@H+](CC[NH3+])CCc1nccs1 647990225 375683747 /nfs/dbraw/zinc/68/37/47/375683747.db2.gz JGMWDWSMXAGVKN-UHFFFAOYSA-N 2 2 185.296 0.576 20 0 ACADLP C[N@@H+](CC[NH3+])CCc1nccs1 647990225 375683751 /nfs/dbraw/zinc/68/37/51/375683751.db2.gz JGMWDWSMXAGVKN-UHFFFAOYSA-N 2 2 185.296 0.576 20 0 ACADLP C[NH2+]CCC[N@@H+]1CCOC[C@@H]1C1CC1 647989233 375683805 /nfs/dbraw/zinc/68/38/05/375683805.db2.gz ZPIYMELLUOZONL-LLVKDONJSA-N 2 2 198.310 0.707 20 0 ACADLP C[NH2+]CCC[N@H+]1CCOC[C@@H]1C1CC1 647989233 375683810 /nfs/dbraw/zinc/68/38/10/375683810.db2.gz ZPIYMELLUOZONL-LLVKDONJSA-N 2 2 198.310 0.707 20 0 ACADLP C[C@@H]([NH3+])C[N@H+](C)C1(C(N)=O)CCCC1 647989669 375683955 /nfs/dbraw/zinc/68/39/55/375683955.db2.gz VILXLMZZNZFALP-MRVPVSSYSA-N 2 2 199.298 0.064 20 0 ACADLP C[C@@H]([NH3+])C[N@@H+](C)C1(C(N)=O)CCCC1 647989669 375683960 /nfs/dbraw/zinc/68/39/60/375683960.db2.gz VILXLMZZNZFALP-MRVPVSSYSA-N 2 2 199.298 0.064 20 0 ACADLP CC(C)(C)[C@@H](C[NH3+])[NH2+]C[C@H]1CC[NH2+]C1 647988124 375683975 /nfs/dbraw/zinc/68/39/75/375683975.db2.gz RHECQDWBYUKIKZ-VHSXEESVSA-N 3 2 199.342 0.559 20 0 ACADLP C[C@@H]([NH3+])C[NH2+][C@H](C[NH3+])C1CCCCC1 647988160 375684015 /nfs/dbraw/zinc/68/40/15/375684015.db2.gz WBUXVBKFVJTFFY-MWLCHTKSSA-N 3 2 199.342 0.831 20 0 ACADLP C[C@H]([NH3+])C[N@H+](C)CCc1nccs1 647990385 375684036 /nfs/dbraw/zinc/68/40/36/375684036.db2.gz VXBAHKDIGUVBJJ-QMMMGPOBSA-N 2 2 199.323 0.965 20 0 ACADLP C[C@@H]([NH3+])C[NH2+][C@@H](C[NH3+])C1CCCCC1 647988159 375684102 /nfs/dbraw/zinc/68/41/02/375684102.db2.gz WBUXVBKFVJTFFY-KOLCDFICSA-N 3 2 199.342 0.831 20 0 ACADLP C[C@H]([NH3+])C[NH2+][C@@H](C[NH3+])C1CCCCC1 647988161 375684213 /nfs/dbraw/zinc/68/42/13/375684213.db2.gz WBUXVBKFVJTFFY-ONGXEEELSA-N 3 2 199.342 0.831 20 0 ACADLP C[NH2+]CCC[N@@H+]1CCOC[C@H]1C1CC1 647989234 375684228 /nfs/dbraw/zinc/68/42/28/375684228.db2.gz ZPIYMELLUOZONL-NSHDSACASA-N 2 2 198.310 0.707 20 0 ACADLP C[NH2+]CCC[N@H+]1CCOC[C@H]1C1CC1 647989234 375684232 /nfs/dbraw/zinc/68/42/32/375684232.db2.gz ZPIYMELLUOZONL-NSHDSACASA-N 2 2 198.310 0.707 20 0 ACADLP C[NH2+]CCC[N@H+](C)C[C@H]1CC[NH2+]C1 647992486 375684999 /nfs/dbraw/zinc/68/49/99/375684999.db2.gz FXOOYSVMBQWBMY-JTQLQIEISA-N 3 2 185.315 0.137 20 0 ACADLP C[NH2+]CCC[N@@H+](C)C[C@H]1CC[NH2+]C1 647992486 375685000 /nfs/dbraw/zinc/68/50/00/375685000.db2.gz FXOOYSVMBQWBMY-JTQLQIEISA-N 3 2 185.315 0.137 20 0 ACADLP C[C@H]([NH3+])C[NH2+][C@@H]1CCCC[C@H]1[NH3+] 647995300 375685009 /nfs/dbraw/zinc/68/50/09/375685009.db2.gz MWTRZFNLQSPOEJ-DJLDLDEBSA-N 3 2 171.288 0.193 20 0 ACADLP C[NH2+]CCC[N@@H+]1CC[C@H](C)[C@H](C[NH3+])C1 647992491 375685035 /nfs/dbraw/zinc/68/50/35/375685035.db2.gz FXYHGJAPZZHQLN-WDEREUQCSA-N 3 2 199.342 0.513 20 0 ACADLP C[NH2+]CCC[N@@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 647992490 375685473 /nfs/dbraw/zinc/68/54/73/375685473.db2.gz FXYHGJAPZZHQLN-QWRGUYRKSA-N 3 2 199.342 0.513 20 0 ACADLP C[NH2+]CCC[N@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 647992490 375685477 /nfs/dbraw/zinc/68/54/77/375685477.db2.gz FXYHGJAPZZHQLN-QWRGUYRKSA-N 3 2 199.342 0.513 20 0 ACADLP C[NH2+]CCC[NH2+][C@@H]1CCCC[C@H]1[NH3+] 647995223 375685491 /nfs/dbraw/zinc/68/54/91/375685491.db2.gz GTJJMXKEFZLFPG-NXEZZACHSA-N 3 2 185.315 0.455 20 0 ACADLP C[C@@H]([NH3+])C[NH2+][C@@H]1CCCC[C@H]1[NH3+] 647995301 375685505 /nfs/dbraw/zinc/68/55/05/375685505.db2.gz MWTRZFNLQSPOEJ-IWSPIJDZSA-N 3 2 171.288 0.193 20 0 ACADLP Cc1noc(CCC[N@H+](C)CC[NH3+])n1 647992575 375685595 /nfs/dbraw/zinc/68/55/95/375685595.db2.gz PLCBQTSVIBWNIN-UHFFFAOYSA-N 2 2 198.270 0.201 20 0 ACADLP Cc1noc(CCC[N@@H+](C)CC[NH3+])n1 647992575 375685598 /nfs/dbraw/zinc/68/55/98/375685598.db2.gz PLCBQTSVIBWNIN-UHFFFAOYSA-N 2 2 198.270 0.201 20 0 ACADLP C[N@H+](CC[NH3+])Cc1cccc(N)c1 647992629 375685711 /nfs/dbraw/zinc/68/57/11/375685711.db2.gz ULZDFQWOGGGBSN-UHFFFAOYSA-N 2 2 179.267 0.659 20 0 ACADLP C[N@@H+](CC[NH3+])Cc1cccc(N)c1 647992629 375685713 /nfs/dbraw/zinc/68/57/13/375685713.db2.gz ULZDFQWOGGGBSN-UHFFFAOYSA-N 2 2 179.267 0.659 20 0 ACADLP C[NH2+]CCC[N@H+](C)C[C@@H]1CC[NH2+]C1 647992487 375685752 /nfs/dbraw/zinc/68/57/52/375685752.db2.gz FXOOYSVMBQWBMY-SNVBAGLBSA-N 3 2 185.315 0.137 20 0 ACADLP C[NH2+]CCC[N@@H+](C)C[C@@H]1CC[NH2+]C1 647992487 375685756 /nfs/dbraw/zinc/68/57/56/375685756.db2.gz FXOOYSVMBQWBMY-SNVBAGLBSA-N 3 2 185.315 0.137 20 0 ACADLP C[NH2+]CCC[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 647992489 375685885 /nfs/dbraw/zinc/68/58/85/375685885.db2.gz FXYHGJAPZZHQLN-MNOVXSKESA-N 3 2 199.342 0.513 20 0 ACADLP C[NH2+]CCC[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 647992489 375685888 /nfs/dbraw/zinc/68/58/88/375685888.db2.gz FXYHGJAPZZHQLN-MNOVXSKESA-N 3 2 199.342 0.513 20 0 ACADLP [NH3+][C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CC[NH2+]C1 647995385 375685929 /nfs/dbraw/zinc/68/59/29/375685929.db2.gz SQTKZHRLUHOJHS-GMTAPVOTSA-N 3 2 197.326 0.455 20 0 ACADLP C[NH2+]CCC[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 647992488 375685939 /nfs/dbraw/zinc/68/59/39/375685939.db2.gz FXYHGJAPZZHQLN-GHMZBOCLSA-N 3 2 199.342 0.513 20 0 ACADLP C[NH2+]CCC[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 647992488 375685943 /nfs/dbraw/zinc/68/59/43/375685943.db2.gz FXYHGJAPZZHQLN-GHMZBOCLSA-N 3 2 199.342 0.513 20 0 ACADLP CCOCC[N@@H+]1CCCC[C@H]1C[NH3+] 35359016 409315727 /nfs/dbraw/zinc/31/57/27/409315727.db2.gz PVIGSRBXVAUJHO-JTQLQIEISA-N 2 2 186.299 0.836 20 0 ACADLP CCOCC[N@H+]1CCCC[C@H]1C[NH3+] 35359016 409315729 /nfs/dbraw/zinc/31/57/29/409315729.db2.gz PVIGSRBXVAUJHO-JTQLQIEISA-N 2 2 186.299 0.836 20 0 ACADLP CCOCC[N@@H+]1CCCC[C@@H]1C[NH3+] 35359015 409316003 /nfs/dbraw/zinc/31/60/03/409316003.db2.gz PVIGSRBXVAUJHO-SNVBAGLBSA-N 2 2 186.299 0.836 20 0 ACADLP CCOCC[N@H+]1CCCC[C@@H]1C[NH3+] 35359015 409316006 /nfs/dbraw/zinc/31/60/06/409316006.db2.gz PVIGSRBXVAUJHO-SNVBAGLBSA-N 2 2 186.299 0.836 20 0 ACADLP CCOCC[N@@H+]1CCC[C@@H]1C[NH3+] 35359018 409316313 /nfs/dbraw/zinc/31/63/13/409316313.db2.gz YTCAIVZAJFGJCQ-SECBINFHSA-N 2 2 172.272 0.446 20 0 ACADLP CCOCC[N@H+]1CCC[C@@H]1C[NH3+] 35359018 409316315 /nfs/dbraw/zinc/31/63/15/409316315.db2.gz YTCAIVZAJFGJCQ-SECBINFHSA-N 2 2 172.272 0.446 20 0 ACADLP CCOCC[N@@H+]1CC[C@H]([NH2+]C)C1 36229780 409317202 /nfs/dbraw/zinc/31/72/02/409317202.db2.gz UUOXCHREAANVCT-VIFPVBQESA-N 2 2 172.272 0.317 20 0 ACADLP CCOCC[N@H+]1CC[C@H]([NH2+]C)C1 36229780 409317204 /nfs/dbraw/zinc/31/72/04/409317204.db2.gz UUOXCHREAANVCT-VIFPVBQESA-N 2 2 172.272 0.317 20 0 ACADLP CCOCC[N@@H+]1CC[C@@H]([NH2+]C)C1 36229781 409317316 /nfs/dbraw/zinc/31/73/16/409317316.db2.gz UUOXCHREAANVCT-SECBINFHSA-N 2 2 172.272 0.317 20 0 ACADLP CCOCC[N@H+]1CC[C@@H]([NH2+]C)C1 36229781 409317321 /nfs/dbraw/zinc/31/73/21/409317321.db2.gz UUOXCHREAANVCT-SECBINFHSA-N 2 2 172.272 0.317 20 0 ACADLP C[C@@H](C[NH3+])[N@H+](C)Cc1ccncc1 36775608 409318889 /nfs/dbraw/zinc/31/88/89/409318889.db2.gz JFYXGYYBVALWSD-VIFPVBQESA-N 2 2 179.267 0.861 20 0 ACADLP C[C@@H](C[NH3+])[N@@H+](C)Cc1ccncc1 36775608 409318893 /nfs/dbraw/zinc/31/88/93/409318893.db2.gz JFYXGYYBVALWSD-VIFPVBQESA-N 2 2 179.267 0.861 20 0 ACADLP C[C@H](C[NH3+])[N@H+](C)Cc1ccncc1 36775609 409319756 /nfs/dbraw/zinc/31/97/56/409319756.db2.gz JFYXGYYBVALWSD-SECBINFHSA-N 2 2 179.267 0.861 20 0 ACADLP C[C@H](C[NH3+])[N@@H+](C)Cc1ccncc1 36775609 409319758 /nfs/dbraw/zinc/31/97/58/409319758.db2.gz JFYXGYYBVALWSD-SECBINFHSA-N 2 2 179.267 0.861 20 0 ACADLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]C)C1 37241833 409325104 /nfs/dbraw/zinc/32/51/04/409325104.db2.gz WUOGIHVIVOZFNU-SNVBAGLBSA-N 2 2 186.299 0.707 20 0 ACADLP CCOCCC[N@H+]1CC[C@@H]([NH2+]C)C1 37241833 409325111 /nfs/dbraw/zinc/32/51/11/409325111.db2.gz WUOGIHVIVOZFNU-SNVBAGLBSA-N 2 2 186.299 0.707 20 0 ACADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]C)C1 37241831 409325353 /nfs/dbraw/zinc/32/53/53/409325353.db2.gz WUOGIHVIVOZFNU-JTQLQIEISA-N 2 2 186.299 0.707 20 0 ACADLP CCOCCC[N@H+]1CC[C@H]([NH2+]C)C1 37241831 409325355 /nfs/dbraw/zinc/32/53/55/409325355.db2.gz WUOGIHVIVOZFNU-JTQLQIEISA-N 2 2 186.299 0.707 20 0 ACADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+][C@@H]1CCC[C@H]1O 651498366 409332336 /nfs/dbraw/zinc/33/23/36/409332336.db2.gz HXCWKAFVDWNKNL-ZRUFSTJUSA-N 2 2 198.310 0.440 20 0 ACADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@@H]1CCC[C@H]1O 651498366 409332340 /nfs/dbraw/zinc/33/23/40/409332340.db2.gz HXCWKAFVDWNKNL-ZRUFSTJUSA-N 2 2 198.310 0.440 20 0 ACADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+][C@@H]1CCC[C@H]1O 651498365 409332526 /nfs/dbraw/zinc/33/25/26/409332526.db2.gz HXCWKAFVDWNKNL-LNFKQOIKSA-N 2 2 198.310 0.440 20 0 ACADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+][C@@H]1CCC[C@H]1O 651498365 409332530 /nfs/dbraw/zinc/33/25/30/409332530.db2.gz HXCWKAFVDWNKNL-LNFKQOIKSA-N 2 2 198.310 0.440 20 0 ACADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+][C@@H]1CCC[C@H]1O 651498364 409332588 /nfs/dbraw/zinc/33/25/88/409332588.db2.gz HXCWKAFVDWNKNL-GWOFURMSSA-N 2 2 198.310 0.440 20 0 ACADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+][C@@H]1CCC[C@H]1O 651498364 409332592 /nfs/dbraw/zinc/33/25/92/409332592.db2.gz HXCWKAFVDWNKNL-GWOFURMSSA-N 2 2 198.310 0.440 20 0 ACADLP C[C@H]([NH2+]CC[NH3+])c1ccccn1 37712376 409335087 /nfs/dbraw/zinc/33/50/87/409335087.db2.gz PHTSEQKOAZHSME-QMMMGPOBSA-N 2 2 165.240 0.691 20 0 ACADLP C[C@@H](C[NH2+]CC1CC1)[NH+](C)C 38087799 409339676 /nfs/dbraw/zinc/33/96/76/409339676.db2.gz IWRGFCPNWVTKBK-QMMMGPOBSA-N 2 2 156.273 0.936 20 0 ACADLP CC(C)[NH2+]C[C@H](C)[NH+](C)C 38088570 409340048 /nfs/dbraw/zinc/34/00/48/409340048.db2.gz OGNFWOGUOYORNN-QMMMGPOBSA-N 2 2 144.262 0.935 20 0 ACADLP C[C@H]([NH3+])C[N@H+](C)C[C@@H]1CCCCO1 42308726 409349206 /nfs/dbraw/zinc/34/92/06/409349206.db2.gz BGDLLKRKQFRMGD-UWVGGRQHSA-N 2 2 186.299 0.835 20 0 ACADLP C[C@H]([NH3+])C[N@@H+](C)C[C@@H]1CCCCO1 42308726 409349211 /nfs/dbraw/zinc/34/92/11/409349211.db2.gz BGDLLKRKQFRMGD-UWVGGRQHSA-N 2 2 186.299 0.835 20 0 ACADLP CC[N@H+](C[C@@H](C)[NH3+])C[C@H]1CCCO1 42308833 409350324 /nfs/dbraw/zinc/35/03/24/409350324.db2.gz VVBGXXMIKFFBFV-NXEZZACHSA-N 2 2 186.299 0.835 20 0 ACADLP CC[N@@H+](C[C@@H](C)[NH3+])C[C@H]1CCCO1 42308833 409350329 /nfs/dbraw/zinc/35/03/29/409350329.db2.gz VVBGXXMIKFFBFV-NXEZZACHSA-N 2 2 186.299 0.835 20 0 ACADLP CC[NH+]1CCC([N@H+](C)CC(C)=O)CC1 42680933 409352532 /nfs/dbraw/zinc/35/25/32/409352532.db2.gz ZDPWSIYXNBMOJK-UHFFFAOYSA-N 2 2 198.310 0.992 20 0 ACADLP CC[NH+]1CCC([N@@H+](C)CC(C)=O)CC1 42680933 409352541 /nfs/dbraw/zinc/35/25/41/409352541.db2.gz ZDPWSIYXNBMOJK-UHFFFAOYSA-N 2 2 198.310 0.992 20 0 ACADLP C[C@@H]([NH3+])C[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 652352428 409352783 /nfs/dbraw/zinc/35/27/83/409352783.db2.gz WFKAVEKQQGEGBH-VWYCJHECSA-N 3 2 197.326 0.394 20 0 ACADLP C[C@@H]([NH3+])C[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 652352428 409352788 /nfs/dbraw/zinc/35/27/88/409352788.db2.gz WFKAVEKQQGEGBH-VWYCJHECSA-N 3 2 197.326 0.394 20 0 ACADLP C[C@H]([NH2+][C@@H]1CCC[NH2+]C1)[C@@H]1CCCO1 43325174 409352936 /nfs/dbraw/zinc/35/29/36/409352936.db2.gz PJOGNWODDWTTOA-AXFHLTTASA-N 2 2 198.310 0.896 20 0 ACADLP C[C@@H](CO)C1CC[NH+](CC[NH3+])CC1 652358450 409353293 /nfs/dbraw/zinc/35/32/93/409353293.db2.gz FOBOEUKEHXDAOV-VIFPVBQESA-N 2 2 186.299 0.286 20 0 ACADLP C[C@@H]([NH2+][C@@H]1CCC[NH2+]C1)[C@H]1CCCO1 43325180 409353428 /nfs/dbraw/zinc/35/34/28/409353428.db2.gz PJOGNWODDWTTOA-GMTAPVOTSA-N 2 2 198.310 0.896 20 0 ACADLP C[C@H](CO)C1CC[NH+](CC[NH3+])CC1 652358449 409353629 /nfs/dbraw/zinc/35/36/29/409353629.db2.gz FOBOEUKEHXDAOV-SECBINFHSA-N 2 2 186.299 0.286 20 0 ACADLP C[C@H]([NH2+][C@@H]1CCC[NH2+]C1)[C@H]1CCCO1 43325178 409354290 /nfs/dbraw/zinc/35/42/90/409354290.db2.gz PJOGNWODDWTTOA-HBNTYKKESA-N 2 2 198.310 0.896 20 0 ACADLP c1cn(CC[NH2+][C@H]2CCC[NH2+]C2)c[nH+]1 43327523 409354354 /nfs/dbraw/zinc/35/43/54/409354354.db2.gz JXWRKPSTDSIDCP-JTQLQIEISA-N 3 2 194.282 0.225 20 0 ACADLP c1cn(CC[NH2+][C@H]2CCC[NH2+]C2)cn1 43327523 409354359 /nfs/dbraw/zinc/35/43/59/409354359.db2.gz JXWRKPSTDSIDCP-JTQLQIEISA-N 2 2 194.282 0.225 20 0 ACADLP c1cn(CC[NH2+][C@@H]2CCC[NH2+]C2)c[nH+]1 43327522 409354590 /nfs/dbraw/zinc/35/45/90/409354590.db2.gz JXWRKPSTDSIDCP-SNVBAGLBSA-N 3 2 194.282 0.225 20 0 ACADLP c1cn(CC[NH2+][C@@H]2CCC[NH2+]C2)cn1 43327522 409354595 /nfs/dbraw/zinc/35/45/95/409354595.db2.gz JXWRKPSTDSIDCP-SNVBAGLBSA-N 2 2 194.282 0.225 20 0 ACADLP CCO[C@@H]1CCC[N@H+](C[C@@H](C)[NH3+])C1 44412705 409355506 /nfs/dbraw/zinc/35/55/06/409355506.db2.gz NTTRPVHOXVGBET-NXEZZACHSA-N 2 2 186.299 0.835 20 0 ACADLP CCO[C@@H]1CCC[N@@H+](C[C@@H](C)[NH3+])C1 44412705 409355512 /nfs/dbraw/zinc/35/55/12/409355512.db2.gz NTTRPVHOXVGBET-NXEZZACHSA-N 2 2 186.299 0.835 20 0 ACADLP CC[C@@H](C)[NH2+]C[C@@H]1C[NH2+]CCO1 43802434 409355975 /nfs/dbraw/zinc/35/59/75/409355975.db2.gz XURJMOZHSGMURK-BDAKNGLRSA-N 2 2 172.272 0.363 20 0 ACADLP C[NH2+][C@H]1CC[N@H+](CC[C@@H]2CCCO2)C1 44510313 409356041 /nfs/dbraw/zinc/35/60/41/409356041.db2.gz FRVKCSBBDXJUSJ-QWRGUYRKSA-N 2 2 198.310 0.849 20 0 ACADLP C[NH2+][C@H]1CC[N@@H+](CC[C@@H]2CCCO2)C1 44510313 409356047 /nfs/dbraw/zinc/35/60/47/409356047.db2.gz FRVKCSBBDXJUSJ-QWRGUYRKSA-N 2 2 198.310 0.849 20 0 ACADLP CC[C@H](C)[NH2+]C[C@@H]1C[NH2+]CCO1 43802437 409356492 /nfs/dbraw/zinc/35/64/92/409356492.db2.gz XURJMOZHSGMURK-IUCAKERBSA-N 2 2 172.272 0.363 20 0 ACADLP CCO[C@H]1CCC[N@H+](C[C@@H](C)[NH3+])C1 44412707 409357025 /nfs/dbraw/zinc/35/70/25/409357025.db2.gz NTTRPVHOXVGBET-ZJUUUORDSA-N 2 2 186.299 0.835 20 0 ACADLP CCO[C@H]1CCC[N@@H+](C[C@@H](C)[NH3+])C1 44412707 409357030 /nfs/dbraw/zinc/35/70/30/409357030.db2.gz NTTRPVHOXVGBET-ZJUUUORDSA-N 2 2 186.299 0.835 20 0 ACADLP C[NH2+][C@@H]1CC[N@H+](CC[C@@H]2CCCO2)C1 44510312 409357523 /nfs/dbraw/zinc/35/75/23/409357523.db2.gz FRVKCSBBDXJUSJ-MNOVXSKESA-N 2 2 198.310 0.849 20 0 ACADLP C[NH2+][C@@H]1CC[N@@H+](CC[C@@H]2CCCO2)C1 44510312 409357530 /nfs/dbraw/zinc/35/75/30/409357530.db2.gz FRVKCSBBDXJUSJ-MNOVXSKESA-N 2 2 198.310 0.849 20 0 ACADLP CC[C@@H](C)[NH2+]C[C@H]1C[NH2+]CCO1 43802440 409357596 /nfs/dbraw/zinc/35/75/96/409357596.db2.gz XURJMOZHSGMURK-RKDXNWHRSA-N 2 2 172.272 0.363 20 0 ACADLP CC[C@H](C)[NH2+]C[C@H]1C[NH2+]CCO1 43802443 409357973 /nfs/dbraw/zinc/35/79/73/409357973.db2.gz XURJMOZHSGMURK-DTWKUNHWSA-N 2 2 172.272 0.363 20 0 ACADLP Cc1cc(C[N@@H+]2CC[C@@H](C[NH3+])C2)no1 44725592 409360123 /nfs/dbraw/zinc/36/01/23/409360123.db2.gz DFIUXHDYZAJUIQ-VIFPVBQESA-N 2 2 195.266 0.764 20 0 ACADLP Cc1cc(C[N@H+]2CC[C@@H](C[NH3+])C2)no1 44725592 409360136 /nfs/dbraw/zinc/36/01/36/409360136.db2.gz DFIUXHDYZAJUIQ-VIFPVBQESA-N 2 2 195.266 0.764 20 0 ACADLP Cc1cc(C[N@@H+]2CC[C@H](C[NH3+])C2)no1 44725591 409360297 /nfs/dbraw/zinc/36/02/97/409360297.db2.gz DFIUXHDYZAJUIQ-SECBINFHSA-N 2 2 195.266 0.764 20 0 ACADLP Cc1cc(C[N@H+]2CC[C@H](C[NH3+])C2)no1 44725591 409360303 /nfs/dbraw/zinc/36/03/03/409360303.db2.gz DFIUXHDYZAJUIQ-SECBINFHSA-N 2 2 195.266 0.764 20 0 ACADLP Cc1cc(C[NH2+]CC(C)(C)[NH3+])on1 45011559 409361708 /nfs/dbraw/zinc/36/17/08/409361708.db2.gz QMVUCIQAXIGPFI-UHFFFAOYSA-N 2 2 183.255 0.810 20 0 ACADLP Cc1cc(N[C@H]2CCC[NH2+]C2)nc[nH+]1 45955083 409364651 /nfs/dbraw/zinc/36/46/51/409364651.db2.gz UTJNHNPUVVGCDT-VIFPVBQESA-N 2 2 192.266 0.949 20 0 ACADLP CCCCOCC[N@@H+]1CC[C@@H]([NH3+])C1 45107859 409365002 /nfs/dbraw/zinc/36/50/02/409365002.db2.gz MHEZKYMXQWNEHK-SNVBAGLBSA-N 2 2 186.299 0.836 20 0 ACADLP CCCCOCC[N@H+]1CC[C@@H]([NH3+])C1 45107859 409365009 /nfs/dbraw/zinc/36/50/09/409365009.db2.gz MHEZKYMXQWNEHK-SNVBAGLBSA-N 2 2 186.299 0.836 20 0 ACADLP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1CCC[NH3+] 653279850 409365173 /nfs/dbraw/zinc/36/51/73/409365173.db2.gz ATMHBKGKBJVQAV-BDAKNGLRSA-N 3 2 171.288 0.147 20 0 ACADLP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1CCC[NH3+] 653279850 409365179 /nfs/dbraw/zinc/36/51/79/409365179.db2.gz ATMHBKGKBJVQAV-BDAKNGLRSA-N 3 2 171.288 0.147 20 0 ACADLP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1CCC[NH3+] 653279852 409365492 /nfs/dbraw/zinc/36/54/92/409365492.db2.gz ATMHBKGKBJVQAV-IUCAKERBSA-N 3 2 171.288 0.147 20 0 ACADLP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1CCC[NH3+] 653279852 409365497 /nfs/dbraw/zinc/36/54/97/409365497.db2.gz ATMHBKGKBJVQAV-IUCAKERBSA-N 3 2 171.288 0.147 20 0 ACADLP C[C@H](O)C[NH2+]CCCCn1cc[nH+]c1 45106975 409365672 /nfs/dbraw/zinc/36/56/72/409365672.db2.gz TXQZFERBORQQGK-JTQLQIEISA-N 2 2 197.282 0.634 20 0 ACADLP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1CCC[NH3+] 653279851 409366573 /nfs/dbraw/zinc/36/65/73/409366573.db2.gz ATMHBKGKBJVQAV-DTWKUNHWSA-N 3 2 171.288 0.147 20 0 ACADLP C[C@H]1C[C@H]([NH3+])CC[N@H+]1CCC[NH3+] 653279851 409366577 /nfs/dbraw/zinc/36/65/77/409366577.db2.gz ATMHBKGKBJVQAV-DTWKUNHWSA-N 3 2 171.288 0.147 20 0 ACADLP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1CCC[NH3+] 653279853 409366600 /nfs/dbraw/zinc/36/66/00/409366600.db2.gz ATMHBKGKBJVQAV-RKDXNWHRSA-N 3 2 171.288 0.147 20 0 ACADLP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1CCC[NH3+] 653279853 409366606 /nfs/dbraw/zinc/36/66/06/409366606.db2.gz ATMHBKGKBJVQAV-RKDXNWHRSA-N 3 2 171.288 0.147 20 0 ACADLP CCCCOCC[N@@H+]1CC[C@H]([NH3+])C1 45107858 409366620 /nfs/dbraw/zinc/36/66/20/409366620.db2.gz MHEZKYMXQWNEHK-JTQLQIEISA-N 2 2 186.299 0.836 20 0 ACADLP CCCCOCC[N@H+]1CC[C@H]([NH3+])C1 45107858 409366624 /nfs/dbraw/zinc/36/66/24/409366624.db2.gz MHEZKYMXQWNEHK-JTQLQIEISA-N 2 2 186.299 0.836 20 0 ACADLP Cc1cc(N[C@@H]2CCC[NH2+]C2)nc[nH+]1 45955080 409366658 /nfs/dbraw/zinc/36/66/58/409366658.db2.gz UTJNHNPUVVGCDT-SECBINFHSA-N 2 2 192.266 0.949 20 0 ACADLP C[NH2+][C@@H](C)c1nc(C2([NH3+])CCC2)no1 653490798 409371686 /nfs/dbraw/zinc/37/16/86/409371686.db2.gz ZTRLNFQUBIDZHG-LURJTMIESA-N 2 2 196.254 0.688 20 0 ACADLP C[N@H+](CC[NH3+])CCCn1cc[nH+]c1 49327519 409371899 /nfs/dbraw/zinc/37/18/99/409371899.db2.gz BIIZRWBEWOSTDY-UHFFFAOYSA-N 3 2 182.271 0.164 20 0 ACADLP C[N@@H+](CC[NH3+])CCCn1cc[nH+]c1 49327519 409371906 /nfs/dbraw/zinc/37/19/06/409371906.db2.gz BIIZRWBEWOSTDY-UHFFFAOYSA-N 3 2 182.271 0.164 20 0 ACADLP C[N@H+](CC[NH3+])CCCn1ccnc1 49327519 409371914 /nfs/dbraw/zinc/37/19/14/409371914.db2.gz BIIZRWBEWOSTDY-UHFFFAOYSA-N 2 2 182.271 0.164 20 0 ACADLP C[N@@H+](CC[NH3+])CCCn1ccnc1 49327519 409371923 /nfs/dbraw/zinc/37/19/23/409371923.db2.gz BIIZRWBEWOSTDY-UHFFFAOYSA-N 2 2 182.271 0.164 20 0 ACADLP CC(C)CCOCC[N@H+](C)CC[NH3+] 49265266 409372019 /nfs/dbraw/zinc/37/20/19/409372019.db2.gz DULZLVCYGRXNLP-UHFFFAOYSA-N 2 2 188.315 0.940 20 0 ACADLP CC(C)CCOCC[N@@H+](C)CC[NH3+] 49265266 409372024 /nfs/dbraw/zinc/37/20/24/409372024.db2.gz DULZLVCYGRXNLP-UHFFFAOYSA-N 2 2 188.315 0.940 20 0 ACADLP CC[C@H](O)C[NH2+][C@@H](C)Cn1cc[nH+]c1 49235335 409372333 /nfs/dbraw/zinc/37/23/33/409372333.db2.gz OCKAXQVBPHYUGD-UWVGGRQHSA-N 2 2 197.282 0.632 20 0 ACADLP CC(C)OCC[N@@H+]1CCC[C@@H]1C[NH3+] 49259816 409372398 /nfs/dbraw/zinc/37/23/98/409372398.db2.gz BDEXTUMBSFFWIQ-SNVBAGLBSA-N 2 2 186.299 0.835 20 0 ACADLP CC(C)OCC[N@H+]1CCC[C@@H]1C[NH3+] 49259816 409372402 /nfs/dbraw/zinc/37/24/02/409372402.db2.gz BDEXTUMBSFFWIQ-SNVBAGLBSA-N 2 2 186.299 0.835 20 0 ACADLP CC(C)OCC[N@H+]1CCC[NH2+]CC1 49258822 409373464 /nfs/dbraw/zinc/37/34/64/409373464.db2.gz GTBCSAQQLQOECO-UHFFFAOYSA-N 2 2 186.299 0.707 20 0 ACADLP CC[C@@H]1CO[C@@H](C)C[N@@H+]1C[C@@H](C)[NH3+] 48914685 409372632 /nfs/dbraw/zinc/37/26/32/409372632.db2.gz ZKHKXBRFEYOBJL-KXUCPTDWSA-N 2 2 186.299 0.833 20 0 ACADLP CC[C@@H]1CO[C@@H](C)C[N@H+]1C[C@@H](C)[NH3+] 48914685 409372636 /nfs/dbraw/zinc/37/26/36/409372636.db2.gz ZKHKXBRFEYOBJL-KXUCPTDWSA-N 2 2 186.299 0.833 20 0 ACADLP CC[C@@H](O)C[NH2+][C@@H](C)Cn1cc[nH+]c1 49235336 409372691 /nfs/dbraw/zinc/37/26/91/409372691.db2.gz OCKAXQVBPHYUGD-VHSXEESVSA-N 2 2 197.282 0.632 20 0 ACADLP C[C@@H]([NH3+])C[N@H+](C)C[C@@H]1CCCO1 48947522 409372835 /nfs/dbraw/zinc/37/28/35/409372835.db2.gz UDTNUCJVHCHANF-BDAKNGLRSA-N 2 2 172.272 0.444 20 0 ACADLP C[C@@H]([NH3+])C[N@@H+](C)C[C@@H]1CCCO1 48947522 409372839 /nfs/dbraw/zinc/37/28/39/409372839.db2.gz UDTNUCJVHCHANF-BDAKNGLRSA-N 2 2 172.272 0.444 20 0 ACADLP CC(C)OCC[N@H+]1CCC[C@@H]([NH3+])C1 49260924 409373215 /nfs/dbraw/zinc/37/32/15/409373215.db2.gz PTXMDDWHZVOXLJ-SNVBAGLBSA-N 2 2 186.299 0.835 20 0 ACADLP CC(C)OCC[N@@H+]1CCC[C@@H]([NH3+])C1 49260924 409373211 /nfs/dbraw/zinc/37/32/11/409373211.db2.gz PTXMDDWHZVOXLJ-SNVBAGLBSA-N 2 2 186.299 0.835 20 0 ACADLP C[C@H](O)C[NH2+][C@H](C)Cn1cc[nH+]c1 49235333 409373241 /nfs/dbraw/zinc/37/32/41/409373241.db2.gz YRXZCIINBHCBLG-BDAKNGLRSA-N 2 2 183.255 0.242 20 0 ACADLP CC[C@@H](O)C[NH2+][C@H](C)Cn1cc[nH+]c1 49235338 409373404 /nfs/dbraw/zinc/37/34/04/409373404.db2.gz OCKAXQVBPHYUGD-NXEZZACHSA-N 2 2 197.282 0.632 20 0 ACADLP CC(C)OCC[N@@H+]1CCC[NH2+]CC1 49258822 409373460 /nfs/dbraw/zinc/37/34/60/409373460.db2.gz GTBCSAQQLQOECO-UHFFFAOYSA-N 2 2 186.299 0.707 20 0 ACADLP CC[C@H](O)C[NH2+][C@H](C)Cn1cc[nH+]c1 49235337 409373516 /nfs/dbraw/zinc/37/35/16/409373516.db2.gz OCKAXQVBPHYUGD-ZJUUUORDSA-N 2 2 197.282 0.632 20 0 ACADLP CC(C)OCC[N@@H+]1CCC[C@H]([NH3+])C1 49260923 409373935 /nfs/dbraw/zinc/37/39/35/409373935.db2.gz PTXMDDWHZVOXLJ-JTQLQIEISA-N 2 2 186.299 0.835 20 0 ACADLP CC(C)OCC[N@H+]1CCC[C@H]([NH3+])C1 49260923 409373938 /nfs/dbraw/zinc/37/39/38/409373938.db2.gz PTXMDDWHZVOXLJ-JTQLQIEISA-N 2 2 186.299 0.835 20 0 ACADLP C[C@H]([NH3+])C[N@H+](C)C[C@@H]1CCCO1 48947521 409374002 /nfs/dbraw/zinc/37/40/02/409374002.db2.gz UDTNUCJVHCHANF-IUCAKERBSA-N 2 2 172.272 0.444 20 0 ACADLP C[C@H]([NH3+])C[N@@H+](C)C[C@@H]1CCCO1 48947521 409374008 /nfs/dbraw/zinc/37/40/08/409374008.db2.gz UDTNUCJVHCHANF-IUCAKERBSA-N 2 2 172.272 0.444 20 0 ACADLP CC[N@H+](CC[NH3+])CCOC(C)C 49259292 409374022 /nfs/dbraw/zinc/37/40/22/409374022.db2.gz LBQWJRUCWIYRBR-UHFFFAOYSA-N 2 2 174.288 0.692 20 0 ACADLP CC[N@@H+](CC[NH3+])CCOC(C)C 49259292 409374027 /nfs/dbraw/zinc/37/40/27/409374027.db2.gz LBQWJRUCWIYRBR-UHFFFAOYSA-N 2 2 174.288 0.692 20 0 ACADLP CC[C@@H]1CO[C@H](C)C[N@@H+]1C[C@@H](C)[NH3+] 48914679 409374169 /nfs/dbraw/zinc/37/41/69/409374169.db2.gz ZKHKXBRFEYOBJL-OPRDCNLKSA-N 2 2 186.299 0.833 20 0 ACADLP CC[C@@H]1CO[C@H](C)C[N@H+]1C[C@@H](C)[NH3+] 48914679 409374175 /nfs/dbraw/zinc/37/41/75/409374175.db2.gz ZKHKXBRFEYOBJL-OPRDCNLKSA-N 2 2 186.299 0.833 20 0 ACADLP C[C@H](O)C[NH2+][C@@H](C)Cn1cc[nH+]c1 49235331 409374325 /nfs/dbraw/zinc/37/43/25/409374325.db2.gz YRXZCIINBHCBLG-IUCAKERBSA-N 2 2 183.255 0.242 20 0 ACADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CC=CCC1 653610126 409374436 /nfs/dbraw/zinc/37/44/36/409374436.db2.gz YIAXXOJPQTYQEI-LLVKDONJSA-N 2 2 198.310 0.561 20 0 ACADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CC=CCC1 653610126 409374438 /nfs/dbraw/zinc/37/44/38/409374438.db2.gz YIAXXOJPQTYQEI-LLVKDONJSA-N 2 2 198.310 0.561 20 0 ACADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CC=CCC1 653610126 409374444 /nfs/dbraw/zinc/37/44/44/409374444.db2.gz YIAXXOJPQTYQEI-LLVKDONJSA-N 2 2 198.310 0.561 20 0 ACADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CC=CCC1 653610126 409374448 /nfs/dbraw/zinc/37/44/48/409374448.db2.gz YIAXXOJPQTYQEI-LLVKDONJSA-N 2 2 198.310 0.561 20 0 ACADLP CC[N@H+](C)C[C@H](O)C[NH+]1CC=CCC1 653610127 409375741 /nfs/dbraw/zinc/37/57/41/409375741.db2.gz YIAXXOJPQTYQEI-NSHDSACASA-N 2 2 198.310 0.561 20 0 ACADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CC=CCC1 653610127 409375742 /nfs/dbraw/zinc/37/57/42/409375742.db2.gz YIAXXOJPQTYQEI-NSHDSACASA-N 2 2 198.310 0.561 20 0 ACADLP CC[NH+](C)C[C@H](O)C[N@H+]1CC=CCC1 653610127 409375746 /nfs/dbraw/zinc/37/57/46/409375746.db2.gz YIAXXOJPQTYQEI-NSHDSACASA-N 2 2 198.310 0.561 20 0 ACADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CC=CCC1 653610127 409375750 /nfs/dbraw/zinc/37/57/50/409375750.db2.gz YIAXXOJPQTYQEI-NSHDSACASA-N 2 2 198.310 0.561 20 0 ACADLP CC(C)OCC[N@@H+]1CC[C@H]([NH3+])C1 50244008 409378638 /nfs/dbraw/zinc/37/86/38/409378638.db2.gz ZUJNCIXDQGXDOQ-VIFPVBQESA-N 2 2 172.272 0.444 20 0 ACADLP CC(C)OCC[N@H+]1CC[C@H]([NH3+])C1 50244008 409378641 /nfs/dbraw/zinc/37/86/41/409378641.db2.gz ZUJNCIXDQGXDOQ-VIFPVBQESA-N 2 2 172.272 0.444 20 0 ACADLP CC(C)OCC[N@@H+]1CC[C@@H]([NH3+])C1 50244009 409380779 /nfs/dbraw/zinc/38/07/79/409380779.db2.gz ZUJNCIXDQGXDOQ-SECBINFHSA-N 2 2 172.272 0.444 20 0 ACADLP CC(C)OCC[N@H+]1CC[C@@H]([NH3+])C1 50244009 409380783 /nfs/dbraw/zinc/38/07/83/409380783.db2.gz ZUJNCIXDQGXDOQ-SECBINFHSA-N 2 2 172.272 0.444 20 0 ACADLP CCc1cc(N[C@H]2CC[NH2+]C2)nc[nH+]1 52093993 409383298 /nfs/dbraw/zinc/38/32/98/409383298.db2.gz SQEUPBMMHWXRGC-VIFPVBQESA-N 2 2 192.266 0.813 20 0 ACADLP CCc1cc(N[C@@H]2CC[NH2+]C2)nc[nH+]1 52093992 409383844 /nfs/dbraw/zinc/38/38/44/409383844.db2.gz SQEUPBMMHWXRGC-SECBINFHSA-N 2 2 192.266 0.813 20 0 ACADLP COCC[NH2+]CC[NH2+][C@H](C)C(C)C 53388785 409386309 /nfs/dbraw/zinc/38/63/09/409386309.db2.gz KKEHVZPCTJDWCV-SNVBAGLBSA-N 2 2 188.315 0.857 20 0 ACADLP CC[NH2+]CC[NH2+][C@@H](C)[C@@H]1CCCO1 53387920 409386351 /nfs/dbraw/zinc/38/63/51/409386351.db2.gz QVBVEPAUGKKWRF-UWVGGRQHSA-N 2 2 186.299 0.753 20 0 ACADLP C[C@@H]([NH2+]CC[NH2+]C1CC1)[C@@H]1CCCO1 53388346 409386427 /nfs/dbraw/zinc/38/64/27/409386427.db2.gz GEEBEBSJHOISNK-KOLCDFICSA-N 2 2 198.310 0.896 20 0 ACADLP CCOCC[N@@H+]1CCC[C@@H]([NH2+]C)C1 53203546 409386469 /nfs/dbraw/zinc/38/64/69/409386469.db2.gz TZMPPNSUUVYNDB-SNVBAGLBSA-N 2 2 186.299 0.707 20 0 ACADLP CCOCC[N@H+]1CCC[C@@H]([NH2+]C)C1 53203546 409386476 /nfs/dbraw/zinc/38/64/76/409386476.db2.gz TZMPPNSUUVYNDB-SNVBAGLBSA-N 2 2 186.299 0.707 20 0 ACADLP C[NH2+][C@H]1CCC[N@H+](CCCOC)C1 53203224 409386569 /nfs/dbraw/zinc/38/65/69/409386569.db2.gz ZKFLFKPGZJWNMV-JTQLQIEISA-N 2 2 186.299 0.707 20 0 ACADLP C[NH2+][C@H]1CCC[N@@H+](CCCOC)C1 53203224 409386577 /nfs/dbraw/zinc/38/65/77/409386577.db2.gz ZKFLFKPGZJWNMV-JTQLQIEISA-N 2 2 186.299 0.707 20 0 ACADLP COCC[NH2+]CC[NH2+][C@H](C)C1CC1 53388806 409386653 /nfs/dbraw/zinc/38/66/53/409386653.db2.gz SKWWTIVLAIKTBJ-SECBINFHSA-N 2 2 186.299 0.611 20 0 ACADLP C[C@H]([NH2+]CC[NH2+]C1CC1)[C@@H]1CCCO1 53388342 409386840 /nfs/dbraw/zinc/38/68/40/409386840.db2.gz GEEBEBSJHOISNK-ONGXEEELSA-N 2 2 198.310 0.896 20 0 ACADLP CC[NH2+]CC[NH2+][C@@H](C)[C@H]1CCCO1 53387923 409387047 /nfs/dbraw/zinc/38/70/47/409387047.db2.gz QVBVEPAUGKKWRF-VHSXEESVSA-N 2 2 186.299 0.753 20 0 ACADLP CC[NH2+]CC[NH2+][C@H](C)[C@H]1CCCO1 53387926 409387122 /nfs/dbraw/zinc/38/71/22/409387122.db2.gz QVBVEPAUGKKWRF-NXEZZACHSA-N 2 2 186.299 0.753 20 0 ACADLP CC[C@@H](C)[NH2+]CC[NH2+]CCOC 53293178 409387539 /nfs/dbraw/zinc/38/75/39/409387539.db2.gz KGFZKZZSPCTMIT-SECBINFHSA-N 2 2 174.288 0.611 20 0 ACADLP CCOCC[N@@H+]1CCC[C@H]([NH2+]C)C1 53203545 409387562 /nfs/dbraw/zinc/38/75/62/409387562.db2.gz TZMPPNSUUVYNDB-JTQLQIEISA-N 2 2 186.299 0.707 20 0 ACADLP CCOCC[N@H+]1CCC[C@H]([NH2+]C)C1 53203545 409387569 /nfs/dbraw/zinc/38/75/69/409387569.db2.gz TZMPPNSUUVYNDB-JTQLQIEISA-N 2 2 186.299 0.707 20 0 ACADLP C[C@@H]([NH2+]CC[NH2+]C1CC1)[C@H]1CCCO1 53388351 409387702 /nfs/dbraw/zinc/38/77/02/409387702.db2.gz GEEBEBSJHOISNK-MWLCHTKSSA-N 2 2 198.310 0.896 20 0 ACADLP COCC[NH2+]CC[NH2+][C@@H](C)C1CC1 53388804 409387871 /nfs/dbraw/zinc/38/78/71/409387871.db2.gz SKWWTIVLAIKTBJ-VIFPVBQESA-N 2 2 186.299 0.611 20 0 ACADLP CC[C@H](C)[NH2+]CC[NH2+]CCOC 53293180 409387886 /nfs/dbraw/zinc/38/78/86/409387886.db2.gz KGFZKZZSPCTMIT-VIFPVBQESA-N 2 2 174.288 0.611 20 0 ACADLP C[NH2+][C@H]1CCC[N@@H+]([C@H](C)COC)C1 53201813 409387943 /nfs/dbraw/zinc/38/79/43/409387943.db2.gz DDAGSUBBPNGKRT-ZJUUUORDSA-N 2 2 186.299 0.705 20 0 ACADLP C[NH2+][C@H]1CCC[N@H+]([C@H](C)COC)C1 53201813 409387948 /nfs/dbraw/zinc/38/79/48/409387948.db2.gz DDAGSUBBPNGKRT-ZJUUUORDSA-N 2 2 186.299 0.705 20 0 ACADLP COCC[NH2+]CC[NH2+][C@@H](C)C(C)C 53388787 409388196 /nfs/dbraw/zinc/38/81/96/409388196.db2.gz KKEHVZPCTJDWCV-JTQLQIEISA-N 2 2 188.315 0.857 20 0 ACADLP C[C@H]([NH2+]CC[NH2+]C1CC1)[C@H]1CCCO1 53388349 409388403 /nfs/dbraw/zinc/38/84/03/409388403.db2.gz GEEBEBSJHOISNK-GXSJLCMTSA-N 2 2 198.310 0.896 20 0 ACADLP C[NH2+][C@@H]1CCC[N@H+](CCCOC)C1 53203223 409388447 /nfs/dbraw/zinc/38/84/47/409388447.db2.gz ZKFLFKPGZJWNMV-SNVBAGLBSA-N 2 2 186.299 0.707 20 0 ACADLP C[NH2+][C@@H]1CCC[N@@H+](CCCOC)C1 53203223 409388452 /nfs/dbraw/zinc/38/84/52/409388452.db2.gz ZKFLFKPGZJWNMV-SNVBAGLBSA-N 2 2 186.299 0.707 20 0 ACADLP CC[NH2+]CC[NH2+][C@H](C)[C@@H]1CCCO1 53387922 409388606 /nfs/dbraw/zinc/38/86/06/409388606.db2.gz QVBVEPAUGKKWRF-ZJUUUORDSA-N 2 2 186.299 0.753 20 0 ACADLP Cc1ncsc1CC[N@H+](C)CC[NH3+] 54419351 409393934 /nfs/dbraw/zinc/39/39/34/409393934.db2.gz IPJRGGFKHYLXIF-UHFFFAOYSA-N 2 2 199.323 0.885 20 0 ACADLP Cc1ncsc1CC[N@@H+](C)CC[NH3+] 54419351 409393937 /nfs/dbraw/zinc/39/39/37/409393937.db2.gz IPJRGGFKHYLXIF-UHFFFAOYSA-N 2 2 199.323 0.885 20 0 ACADLP C[NH2+]CCCN(C)Cc1[nH+]ccn1C 62255617 409401999 /nfs/dbraw/zinc/40/19/99/409401999.db2.gz GTHANMCKFDPODJ-UHFFFAOYSA-N 2 2 196.298 0.461 20 0 ACADLP CN(Cc1[nH+]ccn1C)CC(C)(C)[NH3+] 62321870 409402308 /nfs/dbraw/zinc/40/23/08/409402308.db2.gz PACGMQZFUOMISP-UHFFFAOYSA-N 2 2 196.298 0.589 20 0 ACADLP C[C@H]([NH3+])CN(C)Cc1[nH+]ccn1C 62251163 409402757 /nfs/dbraw/zinc/40/27/57/409402757.db2.gz YMRABFUKNBIWNJ-QMMMGPOBSA-N 2 2 182.271 0.199 20 0 ACADLP C[N@H+](CC[NH3+])CCc1cccnc1 63221815 409407290 /nfs/dbraw/zinc/40/72/90/409407290.db2.gz LNXCVZCSOFRXSY-UHFFFAOYSA-N 2 2 179.267 0.515 20 0 ACADLP C[N@@H+](CC[NH3+])CCc1cccnc1 63221815 409407292 /nfs/dbraw/zinc/40/72/92/409407292.db2.gz LNXCVZCSOFRXSY-UHFFFAOYSA-N 2 2 179.267 0.515 20 0 ACADLP CC[N@H+](CC[NH3+])CCc1cccnc1 63221816 409407467 /nfs/dbraw/zinc/40/74/67/409407467.db2.gz GGIPYYSWMUUQRJ-UHFFFAOYSA-N 2 2 193.294 0.905 20 0 ACADLP CC[N@@H+](CC[NH3+])CCc1cccnc1 63221816 409407470 /nfs/dbraw/zinc/40/74/70/409407470.db2.gz GGIPYYSWMUUQRJ-UHFFFAOYSA-N 2 2 193.294 0.905 20 0 ACADLP C[NH2+][C@@H](C)C(=O)Nc1ccc(N)[nH+]c1 655415777 409407564 /nfs/dbraw/zinc/40/75/64/409407564.db2.gz GCGUVGQISCXMLT-LURJTMIESA-N 2 2 194.238 0.210 20 0 ACADLP CC[NH2+]Cc1c[nH+]c(N(C)C)n1C 69717938 409411659 /nfs/dbraw/zinc/41/16/59/409411659.db2.gz NYPLPSNHBUTQHO-UHFFFAOYSA-N 2 2 182.271 0.596 20 0 ACADLP C[C@@H]([NH3+])C[N@@H+]1CCSC[C@H]1C 69762554 409412049 /nfs/dbraw/zinc/41/20/49/409412049.db2.gz RVBNPBAFZBZMKN-HTQZYQBOSA-N 2 2 174.313 0.771 20 0 ACADLP C[C@@H]([NH3+])C[N@H+]1CCSC[C@H]1C 69762554 409412055 /nfs/dbraw/zinc/41/20/55/409412055.db2.gz RVBNPBAFZBZMKN-HTQZYQBOSA-N 2 2 174.313 0.771 20 0 ACADLP CN(C)c1[nH+]cc(C[NH2+]C2CC2)n1C 69717923 409412192 /nfs/dbraw/zinc/41/21/92/409412192.db2.gz FACVXYJIZQOELK-UHFFFAOYSA-N 2 2 194.282 0.738 20 0 ACADLP C[C@H]1CSCC[N@H+]1C[C@@H](C)[NH3+] 69762555 409412231 /nfs/dbraw/zinc/41/22/31/409412231.db2.gz RVBNPBAFZBZMKN-SFYZADRCSA-N 2 2 174.313 0.771 20 0 ACADLP C[C@H]1CSCC[N@@H+]1C[C@@H](C)[NH3+] 69762555 409412235 /nfs/dbraw/zinc/41/22/35/409412235.db2.gz RVBNPBAFZBZMKN-SFYZADRCSA-N 2 2 174.313 0.771 20 0 ACADLP CCC[NH2+]Cc1c[nH+]c(N(C)C)n1C 69717935 409412373 /nfs/dbraw/zinc/41/23/73/409412373.db2.gz MVBRTRIOKNJGLO-UHFFFAOYSA-N 2 2 196.298 0.986 20 0 ACADLP [NH3+]CC[N@@H+]1CCC[C@H](OC2CCC2)C1 655947982 409419340 /nfs/dbraw/zinc/41/93/40/409419340.db2.gz VVDMESNTOACWEP-NSHDSACASA-N 2 2 198.310 0.979 20 0 ACADLP [NH3+]CC[N@H+]1CCC[C@H](OC2CCC2)C1 655947982 409419344 /nfs/dbraw/zinc/41/93/44/409419344.db2.gz VVDMESNTOACWEP-NSHDSACASA-N 2 2 198.310 0.979 20 0 ACADLP [NH3+]CC[N@@H+]1CCC[C@@H](OC2CCC2)C1 655947701 409420765 /nfs/dbraw/zinc/42/07/65/409420765.db2.gz VVDMESNTOACWEP-LLVKDONJSA-N 2 2 198.310 0.979 20 0 ACADLP [NH3+]CC[N@H+]1CCC[C@@H](OC2CCC2)C1 655947701 409420773 /nfs/dbraw/zinc/42/07/73/409420773.db2.gz VVDMESNTOACWEP-LLVKDONJSA-N 2 2 198.310 0.979 20 0 ACADLP [NH3+]C[C@H]([NH2+][C@@H]1CCC[C@@H]([NH3+])C1)C1CC1 656192560 409422106 /nfs/dbraw/zinc/42/21/06/409422106.db2.gz BSJWFJAUHLIYNK-MXWKQRLJSA-N 3 2 197.326 0.583 20 0 ACADLP CC(C)[C@H]([NH3+])C[NH2+][C@H]1CCC[C@@H]([NH3+])C1 656192643 409422266 /nfs/dbraw/zinc/42/22/66/409422266.db2.gz NKYYRDUZUVEFGY-OUAUKWLOSA-N 3 2 199.342 0.829 20 0 ACADLP [NH3+]C[C@H]([NH2+][C@@H]1CCC[C@H]([NH3+])C1)C1CC1 656192558 409422457 /nfs/dbraw/zinc/42/24/57/409422457.db2.gz BSJWFJAUHLIYNK-AXFHLTTASA-N 3 2 197.326 0.583 20 0 ACADLP [NH3+]C[C@H]([NH2+][C@H]1CCC[C@@H]([NH3+])C1)C1CC1 656192561 409422484 /nfs/dbraw/zinc/42/24/84/409422484.db2.gz BSJWFJAUHLIYNK-VWYCJHECSA-N 3 2 197.326 0.583 20 0 ACADLP [NH3+][C@@H]1CCC[C@H]([NH2+][C@H]2CC[NH2+]C2)C1 656192609 409422511 /nfs/dbraw/zinc/42/25/11/409422511.db2.gz JPCUPWBLEBPISH-UTLUCORTSA-N 3 2 183.299 0.208 20 0 ACADLP CC(C)[C@H]([NH3+])C[NH2+][C@@H]1CCC[C@H]([NH3+])C1 656192642 409422540 /nfs/dbraw/zinc/42/25/40/409422540.db2.gz NKYYRDUZUVEFGY-HBNTYKKESA-N 3 2 199.342 0.829 20 0 ACADLP CC(C)[C@H]([NH3+])C[NH2+][C@H]1CCC[C@H]([NH3+])C1 656192640 409422753 /nfs/dbraw/zinc/42/27/53/409422753.db2.gz NKYYRDUZUVEFGY-GARJFASQSA-N 3 2 199.342 0.829 20 0 ACADLP CC(C)[C@H]([NH3+])C[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 656192641 409422874 /nfs/dbraw/zinc/42/28/74/409422874.db2.gz NKYYRDUZUVEFGY-GMTAPVOTSA-N 3 2 199.342 0.829 20 0 ACADLP [NH3+][C@@H]1CCC[C@@H]([NH2+][C@H]2CC[NH2+]C2)C1 656192608 409422906 /nfs/dbraw/zinc/42/29/06/409422906.db2.gz JPCUPWBLEBPISH-BBBLOLIVSA-N 3 2 183.299 0.208 20 0 ACADLP [NH3+]C[C@H]([NH2+][C@H]1CCC[C@H]([NH3+])C1)C1CC1 656192559 409422963 /nfs/dbraw/zinc/42/29/63/409422963.db2.gz BSJWFJAUHLIYNK-DCAQKATOSA-N 3 2 197.326 0.583 20 0 ACADLP [NH3+][C@H]1CCC[C@@H]([NH2+][C@@H]2CCC[NH2+]C2)C1 656193114 409423806 /nfs/dbraw/zinc/42/38/06/409423806.db2.gz PETLXYWJHWFFMJ-HBNTYKKESA-N 3 2 197.326 0.598 20 0 ACADLP CC[NH2+]CC[NH2+][C@@H]1CCC[C@H]([NH3+])C1 656192685 409423856 /nfs/dbraw/zinc/42/38/56/409423856.db2.gz TUQQMHHWOBUZTB-VHSXEESVSA-N 3 2 185.315 0.455 20 0 ACADLP C[C@H](C[NH3+])[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 656192972 409423883 /nfs/dbraw/zinc/42/38/83/409423883.db2.gz BEBFMWSUTUVUHN-IWSPIJDZSA-N 3 2 171.288 0.193 20 0 ACADLP CCC[NH2+]CC[NH2+][C@@H]1CCC[C@H]([NH3+])C1 656192674 409423895 /nfs/dbraw/zinc/42/38/95/409423895.db2.gz SEQFVYNQPZFMRH-WDEREUQCSA-N 3 2 199.342 0.846 20 0 ACADLP CC[NH2+][C@H](C)C[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 656193193 409423908 /nfs/dbraw/zinc/42/39/08/409423908.db2.gz YURQPSUQGSDVBF-GMTAPVOTSA-N 3 2 199.342 0.844 20 0 ACADLP [NH3+][C@H](C[NH2+][C@@H]1CCC[C@@H]([NH3+])C1)C1CC1 656193095 409423922 /nfs/dbraw/zinc/42/39/22/409423922.db2.gz MTVFKSWCZNEZKQ-GMTAPVOTSA-N 3 2 197.326 0.583 20 0 ACADLP [NH3+][C@@H]1CCC[C@H]([NH2+]CC2([NH3+])CCC2)C1 656193057 409423953 /nfs/dbraw/zinc/42/39/53/409423953.db2.gz KZQGOFPZTXDUGP-ZJUUUORDSA-N 3 2 197.326 0.727 20 0 ACADLP C[NH2+]CC[NH2+][C@@H]1CCC[C@H]([NH3+])C1 656192664 409424034 /nfs/dbraw/zinc/42/40/34/409424034.db2.gz RFVXTZPTAYRVGY-DTWKUNHWSA-N 3 2 171.288 0.065 20 0 ACADLP [NH3+][C@H]1CCC[C@H]([NH2+]CC[NH2+]C2CC2)C1 656200196 409424051 /nfs/dbraw/zinc/42/40/51/409424051.db2.gz GUTUOLJMVWDFBR-ONGXEEELSA-N 3 2 197.326 0.598 20 0 ACADLP CCC[NH2+]CC[NH2+][C@H]1CCC[C@H]([NH3+])C1 656192673 409424126 /nfs/dbraw/zinc/42/41/26/409424126.db2.gz SEQFVYNQPZFMRH-QWRGUYRKSA-N 3 2 199.342 0.846 20 0 ACADLP CC[NH2+]CC[NH2+][C@H]1CCC[C@@H]([NH3+])C1 656192686 409424139 /nfs/dbraw/zinc/42/41/39/409424139.db2.gz TUQQMHHWOBUZTB-ZJUUUORDSA-N 3 2 185.315 0.455 20 0 ACADLP CC[C@H]([NH3+])C[NH2+][C@H]1CCC[C@H]([NH3+])C1 656193206 409424243 /nfs/dbraw/zinc/42/42/43/409424243.db2.gz ZBXKRRJCQBUAGA-GUBZILKMSA-N 3 2 185.315 0.583 20 0 ACADLP [NH3+][C@@H]1CCC[C@H]([NH2+]CC[NH2+]C2CC2)C1 656200194 409424293 /nfs/dbraw/zinc/42/42/93/409424293.db2.gz GUTUOLJMVWDFBR-KOLCDFICSA-N 3 2 197.326 0.598 20 0 ACADLP CC[NH2+]CC[NH2+][C@H]1CCC[C@H]([NH3+])C1 656192684 409424300 /nfs/dbraw/zinc/42/43/00/409424300.db2.gz TUQQMHHWOBUZTB-UWVGGRQHSA-N 3 2 185.315 0.455 20 0 ACADLP [NH3+][C@@H]1CCC[C@@H]([NH2+]C[C@H]([NH3+])C2CC2)C1 656193096 409424356 /nfs/dbraw/zinc/42/43/56/409424356.db2.gz MTVFKSWCZNEZKQ-MXWKQRLJSA-N 3 2 197.326 0.583 20 0 ACADLP CC[NH2+]CC[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 656192683 409424364 /nfs/dbraw/zinc/42/43/64/409424364.db2.gz TUQQMHHWOBUZTB-NXEZZACHSA-N 3 2 185.315 0.455 20 0 ACADLP C[C@H]([NH3+])C[NH2+][C@H]1CCC[C@H]([NH3+])C1 656200036 409424372 /nfs/dbraw/zinc/42/43/72/409424372.db2.gz FEYBZBRFEOGUOW-CIUDSAMLSA-N 3 2 171.288 0.193 20 0 ACADLP [NH3+][C@H]1CCC[C@@H]([NH2+][C@H]2[C@@H]3C[NH2+]C[C@@H]32)C1 656193126 409424410 /nfs/dbraw/zinc/42/44/10/409424410.db2.gz PZFBKZAISIKMRW-OGBGREFGSA-N 3 2 195.310 0.064 20 0 ACADLP CC[C@H]([NH3+])C[NH2+][C@@H]1CCC[C@H]([NH3+])C1 656193208 409424445 /nfs/dbraw/zinc/42/44/45/409424445.db2.gz ZBXKRRJCQBUAGA-LPEHRKFASA-N 3 2 185.315 0.583 20 0 ACADLP [NH3+][C@@H]1CCC[C@@H]([NH2+][C@H]2[C@@H]3C[NH2+]C[C@@H]32)C1 656193123 409424473 /nfs/dbraw/zinc/42/44/73/409424473.db2.gz PZFBKZAISIKMRW-APLZJWDSSA-N 3 2 195.310 0.064 20 0 ACADLP CCC[NH2+]CC[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 656192671 409424489 /nfs/dbraw/zinc/42/44/89/409424489.db2.gz SEQFVYNQPZFMRH-GHMZBOCLSA-N 3 2 199.342 0.846 20 0 ACADLP [NH3+][C@H]1CCC[C@@H]([NH2+]CC2([NH3+])CCC2)C1 656193056 409424510 /nfs/dbraw/zinc/42/45/10/409424510.db2.gz KZQGOFPZTXDUGP-VHSXEESVSA-N 3 2 197.326 0.727 20 0 ACADLP CCC[NH2+]CC[NH2+][C@H]1CCC[C@@H]([NH3+])C1 656192672 409424517 /nfs/dbraw/zinc/42/45/17/409424517.db2.gz SEQFVYNQPZFMRH-MNOVXSKESA-N 3 2 199.342 0.846 20 0 ACADLP C[C@H](C[NH3+])[NH2+][C@H]1CCC[C@H]([NH3+])C1 656192973 409424550 /nfs/dbraw/zinc/42/45/50/409424550.db2.gz BEBFMWSUTUVUHN-VGMNWLOBSA-N 3 2 171.288 0.193 20 0 ACADLP CC[C@H]([NH3+])C[NH2+][C@H]1CCC[C@@H]([NH3+])C1 656193205 409424654 /nfs/dbraw/zinc/42/46/54/409424654.db2.gz ZBXKRRJCQBUAGA-AEJSXWLSSA-N 3 2 185.315 0.583 20 0 ACADLP [NH3+][C@H]1CCC[C@H]([NH2+][C@@H]2CCC[NH2+]C2)C1 656193113 409425036 /nfs/dbraw/zinc/42/50/36/409425036.db2.gz PETLXYWJHWFFMJ-GARJFASQSA-N 3 2 197.326 0.598 20 0 ACADLP C[NH2+]CC[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 656192666 409424757 /nfs/dbraw/zinc/42/47/57/409424757.db2.gz RFVXTZPTAYRVGY-RKDXNWHRSA-N 3 2 171.288 0.065 20 0 ACADLP [NH3+][C@@H]1CCC[C@@H]([NH2+]C[C@H]2CCC[NH2+]2)C1 656192691 409424771 /nfs/dbraw/zinc/42/47/71/409424771.db2.gz UHAFHJSGMCBTHK-GMTAPVOTSA-N 3 2 197.326 0.598 20 0 ACADLP [NH3+][C@@H]1CCC[C@H]([NH2+][C@H]2[C@@H]3C[NH2+]C[C@@H]32)C1 656193128 409424842 /nfs/dbraw/zinc/42/48/42/409424842.db2.gz PZFBKZAISIKMRW-XXFSISAASA-N 3 2 195.310 0.064 20 0 ACADLP C[C@H](C[NH3+])[NH2+][C@H]1CCC[C@@H]([NH3+])C1 656192970 409424874 /nfs/dbraw/zinc/42/48/74/409424874.db2.gz BEBFMWSUTUVUHN-HLTSFMKQSA-N 3 2 171.288 0.193 20 0 ACADLP [NH3+][C@@H]1CCC[C@H]([NH2+]C[C@H]2CCC[NH2+]2)C1 656192693 409424942 /nfs/dbraw/zinc/42/49/42/409424942.db2.gz UHAFHJSGMCBTHK-OUAUKWLOSA-N 3 2 197.326 0.598 20 0 ACADLP [NH3+][C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCC[NH2+]2)C1 656192694 409424950 /nfs/dbraw/zinc/42/49/50/409424950.db2.gz UHAFHJSGMCBTHK-VWYCJHECSA-N 3 2 197.326 0.598 20 0 ACADLP [NH3+][C@H]1CCC[C@H]([NH2+][C@H]2CCC[NH2+]C2)C1 656193112 409425029 /nfs/dbraw/zinc/42/50/29/409425029.db2.gz PETLXYWJHWFFMJ-DCAQKATOSA-N 3 2 197.326 0.598 20 0 ACADLP C[NH2+]CC[NH2+][C@H]1CCC[C@@H]([NH3+])C1 656192663 409425060 /nfs/dbraw/zinc/42/50/60/409425060.db2.gz RFVXTZPTAYRVGY-BDAKNGLRSA-N 3 2 171.288 0.065 20 0 ACADLP [NH3+][C@H](C[NH2+][C@H]1CCC[C@@H]([NH3+])C1)C1CC1 656193097 409425075 /nfs/dbraw/zinc/42/50/75/409425075.db2.gz MTVFKSWCZNEZKQ-OUAUKWLOSA-N 3 2 197.326 0.583 20 0 ACADLP C[C@H](C[NH3+])[NH2+][C@@H]1CCC[C@H]([NH3+])C1 656192971 409425119 /nfs/dbraw/zinc/42/51/19/409425119.db2.gz BEBFMWSUTUVUHN-HRDYMLBCSA-N 3 2 171.288 0.193 20 0 ACADLP C[NH2+]CC[NH2+][C@H]1CCC[C@H]([NH3+])C1 656192665 409425125 /nfs/dbraw/zinc/42/51/25/409425125.db2.gz RFVXTZPTAYRVGY-IUCAKERBSA-N 3 2 171.288 0.065 20 0 ACADLP CC[C@H]([NH3+])C[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 656193207 409425164 /nfs/dbraw/zinc/42/51/64/409425164.db2.gz ZBXKRRJCQBUAGA-IVZWLZJFSA-N 3 2 185.315 0.583 20 0 ACADLP C[C@H]([NH3+])C[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 656200037 409425193 /nfs/dbraw/zinc/42/51/93/409425193.db2.gz FEYBZBRFEOGUOW-DJLDLDEBSA-N 3 2 171.288 0.193 20 0 ACADLP [NH3+][C@H]1CCC[C@H]([NH2+][C@H]2[C@@H]3C[NH2+]C[C@@H]32)C1 656193125 409425199 /nfs/dbraw/zinc/42/51/99/409425199.db2.gz PZFBKZAISIKMRW-LADJIXMOSA-N 3 2 195.310 0.064 20 0 ACADLP [NH3+][C@H]1CCC[C@H]([NH2+]CC2([NH3+])CCC2)C1 656193055 409425291 /nfs/dbraw/zinc/42/52/91/409425291.db2.gz KZQGOFPZTXDUGP-UWVGGRQHSA-N 3 2 197.326 0.727 20 0 ACADLP C[C@H]([NH3+])C[NH2+][C@@H]1CCC[C@H]([NH3+])C1 656200038 409425298 /nfs/dbraw/zinc/42/52/98/409425298.db2.gz FEYBZBRFEOGUOW-XHNCKOQMSA-N 3 2 171.288 0.193 20 0 ACADLP [NH3+][C@H]1CCC[C@@H]([NH2+][C@H]2CCC[NH2+]C2)C1 656193111 409425325 /nfs/dbraw/zinc/42/53/25/409425325.db2.gz PETLXYWJHWFFMJ-AXFHLTTASA-N 3 2 197.326 0.598 20 0 ACADLP [NH3+][C@@H]1CCC[C@@H]([NH2+]CC2([NH3+])CCC2)C1 656193054 409425353 /nfs/dbraw/zinc/42/53/53/409425353.db2.gz KZQGOFPZTXDUGP-NXEZZACHSA-N 3 2 197.326 0.727 20 0 ACADLP CC[NH2+][C@H](C)C[NH2+][C@@H]1CCC[C@H]([NH3+])C1 656193195 409425384 /nfs/dbraw/zinc/42/53/84/409425384.db2.gz YURQPSUQGSDVBF-OUAUKWLOSA-N 3 2 199.342 0.844 20 0 ACADLP [NH3+][C@@H]1CCC[C@@H]([NH2+]CC[NH2+]C2CC2)C1 656200195 409425409 /nfs/dbraw/zinc/42/54/09/409425409.db2.gz GUTUOLJMVWDFBR-MWLCHTKSSA-N 3 2 197.326 0.598 20 0 ACADLP [NH3+][C@@H]1CCC[C@H]([NH2+]C[C@H]([NH3+])C2CC2)C1 656193098 409425418 /nfs/dbraw/zinc/42/54/18/409425418.db2.gz MTVFKSWCZNEZKQ-VWYCJHECSA-N 3 2 197.326 0.583 20 0 ACADLP [NH3+][C@H]1CCC[C@@H]([NH2+]CC[NH2+]C2CC2)C1 656200193 409425474 /nfs/dbraw/zinc/42/54/74/409425474.db2.gz GUTUOLJMVWDFBR-GXSJLCMTSA-N 3 2 197.326 0.598 20 0 ACADLP C[C@H]([NH3+])C[NH2+][C@H]1CCC[C@@H]([NH3+])C1 656200039 409425483 /nfs/dbraw/zinc/42/54/83/409425483.db2.gz FEYBZBRFEOGUOW-YIZRAAEISA-N 3 2 171.288 0.193 20 0 ACADLP CC[NH2+][C@H](C)C[NH2+][C@H]1CCC[C@@H]([NH3+])C1 656193194 409425487 /nfs/dbraw/zinc/42/54/87/409425487.db2.gz YURQPSUQGSDVBF-MXWKQRLJSA-N 3 2 199.342 0.844 20 0 ACADLP [NH3+][C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CCC[NH2+]2)C1 656192692 409425508 /nfs/dbraw/zinc/42/55/08/409425508.db2.gz UHAFHJSGMCBTHK-MXWKQRLJSA-N 3 2 197.326 0.598 20 0 ACADLP CC[NH2+][C@H](C)C[NH2+][C@H]1CCC[C@H]([NH3+])C1 656193196 409425512 /nfs/dbraw/zinc/42/55/12/409425512.db2.gz YURQPSUQGSDVBF-VWYCJHECSA-N 3 2 199.342 0.844 20 0 ACADLP CC[C@@H]([NH3+])C(=O)N(C)Cc1[nH]cc[nH+]1 70645729 409435197 /nfs/dbraw/zinc/43/51/97/409435197.db2.gz QMLMKIHBHDPXKI-SSDOTTSWSA-N 2 2 196.254 0.105 20 0 ACADLP CC(C)[C@@H]([NH3+])C(=O)NCc1[nH]cc[nH+]1 70646648 409435315 /nfs/dbraw/zinc/43/53/15/409435315.db2.gz NBGPYYKRYIVRHP-MRVPVSSYSA-N 2 2 196.254 0.009 20 0 ACADLP CC[C@H]([NH3+])C(=O)N(C)Cc1[nH]cc[nH+]1 70645728 409435392 /nfs/dbraw/zinc/43/53/92/409435392.db2.gz QMLMKIHBHDPXKI-ZETCQYMHSA-N 2 2 196.254 0.105 20 0 ACADLP CC(C)[C@H]([NH3+])C(=O)NCc1[nH]cc[nH+]1 70646647 409435413 /nfs/dbraw/zinc/43/54/13/409435413.db2.gz NBGPYYKRYIVRHP-QMMMGPOBSA-N 2 2 196.254 0.009 20 0 ACADLP CC(C)(C[NH3+])C(=O)NCc1[nH]cc[nH+]1 70646425 409435427 /nfs/dbraw/zinc/43/54/27/409435427.db2.gz KMCGYBDGLAAUFT-UHFFFAOYSA-N 2 2 196.254 0.011 20 0 ACADLP [NH3+][C@H]1CCC[C@H]([NH2+][C@H]2CC[NH2+]C2)C1 656788020 409449690 /nfs/dbraw/zinc/44/96/90/409449690.db2.gz JPCUPWBLEBPISH-GUBZILKMSA-N 3 2 183.299 0.208 20 0 ACADLP CN(Cc1c[nH+]cn1C)CC(C)(C)[NH3+] 656785664 409449958 /nfs/dbraw/zinc/44/99/58/409449958.db2.gz PLHLFBCNUIHADC-UHFFFAOYSA-N 2 2 196.298 0.589 20 0 ACADLP Cc1n[nH]cc1C[N@@H+](C)CC(C)(C)[NH3+] 656783982 409450305 /nfs/dbraw/zinc/45/03/05/409450305.db2.gz WYSUNSGDQXCKCG-UHFFFAOYSA-N 2 2 196.298 0.887 20 0 ACADLP Cc1n[nH]cc1C[N@H+](C)CC(C)(C)[NH3+] 656783982 409450309 /nfs/dbraw/zinc/45/03/09/409450309.db2.gz WYSUNSGDQXCKCG-UHFFFAOYSA-N 2 2 196.298 0.887 20 0 ACADLP [NH3+][C@H]1CCC[C@@H]([NH2+][C@H]2CC[NH2+]C2)C1 656788019 409450320 /nfs/dbraw/zinc/45/03/20/409450320.db2.gz JPCUPWBLEBPISH-AEJSXWLSSA-N 3 2 183.299 0.208 20 0 ACADLP C[N@H+](CC1CC[NH2+]CC1)CC(C)(C)[NH3+] 656785225 409450724 /nfs/dbraw/zinc/45/07/24/409450724.db2.gz LQWWTKPLRFTMBN-UHFFFAOYSA-N 3 2 199.342 0.655 20 0 ACADLP C[N@@H+](CC1CC[NH2+]CC1)CC(C)(C)[NH3+] 656785225 409450727 /nfs/dbraw/zinc/45/07/27/409450727.db2.gz LQWWTKPLRFTMBN-UHFFFAOYSA-N 3 2 199.342 0.655 20 0 ACADLP CN(Cc1c[nH+]c[nH]1)CC(C)(C)[NH3+] 656785723 409450914 /nfs/dbraw/zinc/45/09/14/409450914.db2.gz IZTKTPADQIFRBT-UHFFFAOYSA-N 2 2 182.271 0.579 20 0 ACADLP CN(Cc1c[nH]c[nH+]1)CC(C)(C)[NH3+] 656785723 409450917 /nfs/dbraw/zinc/45/09/17/409450917.db2.gz IZTKTPADQIFRBT-UHFFFAOYSA-N 2 2 182.271 0.579 20 0 ACADLP CC(C)([NH3+])C[NH2+]CC1([NH3+])CCCC1 656789590 409451721 /nfs/dbraw/zinc/45/17/21/409451721.db2.gz RQKLRMXDLNEGLC-UHFFFAOYSA-N 3 2 185.315 0.585 20 0 ACADLP [NH3+]C1(C[NH2+]C2CC[NH2+]CC2)CCCC1 656788952 409451784 /nfs/dbraw/zinc/45/17/84/409451784.db2.gz GWOCMVQNOKPCAI-UHFFFAOYSA-N 3 2 197.326 0.600 20 0 ACADLP C[C@H]1OCC[C@H]1[NH2+][C@H]1CC[NH2+]C1 656788223 409452024 /nfs/dbraw/zinc/45/20/24/409452024.db2.gz WQHOLDGBWMDKHR-HRDYMLBCSA-N 2 2 170.256 0.115 20 0 ACADLP [NH3+]CCC[NH2+]CC1([NH3+])CCCC1 656788979 409452187 /nfs/dbraw/zinc/45/21/87/409452187.db2.gz HKSHRQOTKGBJBZ-UHFFFAOYSA-N 3 2 171.288 0.196 20 0 ACADLP [NH3+]C1(C[NH2+]Cc2cc[nH]n2)CCCC1 656788765 409452349 /nfs/dbraw/zinc/45/23/49/409452349.db2.gz YQKXIEBKUBNVSD-UHFFFAOYSA-N 2 2 194.282 0.771 20 0 ACADLP C[C@H]1OCC[C@@H]1[NH2+][C@H]1CC[NH2+]C1 656788224 409452398 /nfs/dbraw/zinc/45/23/98/409452398.db2.gz WQHOLDGBWMDKHR-VGMNWLOBSA-N 2 2 170.256 0.115 20 0 ACADLP C[C@@H](C[NH3+])[N@H+](C)CCc1cccnc1 107137029 409456513 /nfs/dbraw/zinc/45/65/13/409456513.db2.gz UHPUOLLPEOKZCX-JTQLQIEISA-N 2 2 193.294 0.903 20 0 ACADLP C[C@@H](C[NH3+])[N@@H+](C)CCc1cccnc1 107137029 409456517 /nfs/dbraw/zinc/45/65/17/409456517.db2.gz UHPUOLLPEOKZCX-JTQLQIEISA-N 2 2 193.294 0.903 20 0 ACADLP C[C@H](C[NH3+])[N@H+](C)CCc1cccnc1 107137030 409456946 /nfs/dbraw/zinc/45/69/46/409456946.db2.gz UHPUOLLPEOKZCX-SNVBAGLBSA-N 2 2 193.294 0.903 20 0 ACADLP C[C@H](C[NH3+])[N@@H+](C)CCc1cccnc1 107137030 409456952 /nfs/dbraw/zinc/45/69/52/409456952.db2.gz UHPUOLLPEOKZCX-SNVBAGLBSA-N 2 2 193.294 0.903 20 0 ACADLP C[C@H](O)C[NH2+]C[C@H]1CCC[N@H+]1C 107785356 409458466 /nfs/dbraw/zinc/45/84/66/409458466.db2.gz IJZJKXZWOPAXGX-DTWKUNHWSA-N 2 2 172.272 0.051 20 0 ACADLP C[C@H](O)C[NH2+]C[C@H]1CCC[N@@H+]1C 107785356 409458460 /nfs/dbraw/zinc/45/84/60/409458460.db2.gz IJZJKXZWOPAXGX-DTWKUNHWSA-N 2 2 172.272 0.051 20 0 ACADLP C[C@@H](O)C[NH2+]C[C@H]1CCC[N@@H+]1C 107785358 409458814 /nfs/dbraw/zinc/45/88/14/409458814.db2.gz IJZJKXZWOPAXGX-RKDXNWHRSA-N 2 2 172.272 0.051 20 0 ACADLP C[C@@H](O)C[NH2+]C[C@H]1CCC[N@H+]1C 107785358 409458820 /nfs/dbraw/zinc/45/88/20/409458820.db2.gz IJZJKXZWOPAXGX-RKDXNWHRSA-N 2 2 172.272 0.051 20 0 ACADLP COC[C@@H](C)[NH2+]Cc1c[nH+]c(C)n1C 657285257 409465208 /nfs/dbraw/zinc/46/52/08/409465208.db2.gz AJVDNEGEPDFDRR-MRVPVSSYSA-N 2 2 197.282 0.853 20 0 ACADLP Cc1[nH+]cc(C[NH2+]C[C@@H](C)O)n1C 657284975 409465355 /nfs/dbraw/zinc/46/53/55/409465355.db2.gz UNJPCIXARSILQY-SSDOTTSWSA-N 2 2 183.255 0.199 20 0 ACADLP Cc1[nH+]cc(C[NH2+]C[C@H](C)O)n1C 657284979 409465742 /nfs/dbraw/zinc/46/57/42/409465742.db2.gz UNJPCIXARSILQY-ZETCQYMHSA-N 2 2 183.255 0.199 20 0 ACADLP C[C@H](O)C[NH2+]Cc1c[nH+]c2n1CCC2 657283966 409465973 /nfs/dbraw/zinc/46/59/73/409465973.db2.gz JIUMHDBZLJVLJG-QMMMGPOBSA-N 2 2 195.266 0.300 20 0 ACADLP C[C@@H](O)C[NH2+]Cc1c[nH+]c2n1CCC2 657283965 409466039 /nfs/dbraw/zinc/46/60/39/409466039.db2.gz JIUMHDBZLJVLJG-MRVPVSSYSA-N 2 2 195.266 0.300 20 0 ACADLP CC[NH2+]Cc1c[nH+]c2n1CCC2 657293141 409466942 /nfs/dbraw/zinc/46/69/42/409466942.db2.gz JIMRMRLZLZZRKH-UHFFFAOYSA-N 2 2 165.240 0.939 20 0 ACADLP Cn1ccc(C[N@H+](C)CCC[NH3+])n1 123795601 409467008 /nfs/dbraw/zinc/46/70/08/409467008.db2.gz ZZSOMXSSZZCGOU-UHFFFAOYSA-N 2 2 182.271 0.201 20 0 ACADLP Cn1ccc(C[N@@H+](C)CCC[NH3+])n1 123795601 409467012 /nfs/dbraw/zinc/46/70/12/409467012.db2.gz ZZSOMXSSZZCGOU-UHFFFAOYSA-N 2 2 182.271 0.201 20 0 ACADLP COCCC[NH2+]Cc1c[nH+]c(C)n1C 657286587 409467161 /nfs/dbraw/zinc/46/71/61/409467161.db2.gz PVOCKPNMSNCEHU-UHFFFAOYSA-N 2 2 197.282 0.855 20 0 ACADLP CC[C@@H](CO)[NH2+]Cc1c[nH+]c(C)n1C 657287726 409467233 /nfs/dbraw/zinc/46/72/33/409467233.db2.gz UEHQRMSDUNABPU-VIFPVBQESA-N 2 2 197.282 0.589 20 0 ACADLP Cc1[nH+]cc(C[NH2+]CCCO)n1C 657286552 409467883 /nfs/dbraw/zinc/46/78/83/409467883.db2.gz PGUSALMAFMLSER-UHFFFAOYSA-N 2 2 183.255 0.201 20 0 ACADLP COCC[NH2+]Cc1c[nH+]c2n1CCC2 657287439 409468284 /nfs/dbraw/zinc/46/82/84/409468284.db2.gz MITZRPXNUJXLDV-UHFFFAOYSA-N 2 2 195.266 0.565 20 0 ACADLP OCCC[NH2+]Cc1c[nH+]c2n1CCC2 657287146 409468355 /nfs/dbraw/zinc/46/83/55/409468355.db2.gz YLAMGRDNQLFTIP-UHFFFAOYSA-N 2 2 195.266 0.301 20 0 ACADLP C[C@H](CO)[NH2+]Cc1c[nH+]c2n1CCC2 657325057 409469265 /nfs/dbraw/zinc/46/92/65/409469265.db2.gz FVQLBDKEPYKGHD-MRVPVSSYSA-N 2 2 195.266 0.300 20 0 ACADLP Cc1[nH+]cc(C[NH2+][C@H](C)CO)n1C 657324751 409469616 /nfs/dbraw/zinc/46/96/16/409469616.db2.gz CTHGMSJFUMTTSI-SSDOTTSWSA-N 2 2 183.255 0.199 20 0 ACADLP CCOCC[NH2+]Cc1c[nH+]c(C)n1C 657312637 409469642 /nfs/dbraw/zinc/46/96/42/409469642.db2.gz BXYXJDPFVIGKCN-UHFFFAOYSA-N 2 2 197.282 0.855 20 0 ACADLP Cc1[nH+]cc(C[NH2+]C[C@H](C)CO)n1C 657328020 409469721 /nfs/dbraw/zinc/46/97/21/409469721.db2.gz QLIKZLIMMKZNRC-QMMMGPOBSA-N 2 2 197.282 0.447 20 0 ACADLP Cc1[nH+]cc(C[NH2+]C[C@@H](C)CO)n1C 657328019 409470098 /nfs/dbraw/zinc/47/00/98/409470098.db2.gz QLIKZLIMMKZNRC-MRVPVSSYSA-N 2 2 197.282 0.447 20 0 ACADLP Cn1ccc(C[N@@H+]2CC[C@@H](C[NH3+])C2)n1 123982144 409471196 /nfs/dbraw/zinc/47/11/96/409471196.db2.gz YGIFQIQMTUHGPX-VIFPVBQESA-N 2 2 194.282 0.201 20 0 ACADLP Cn1ccc(C[N@H+]2CC[C@@H](C[NH3+])C2)n1 123982144 409471200 /nfs/dbraw/zinc/47/12/00/409471200.db2.gz YGIFQIQMTUHGPX-VIFPVBQESA-N 2 2 194.282 0.201 20 0 ACADLP Cn1ccc(C[N@@H+]2CC[C@H](C[NH3+])C2)n1 123981895 409471629 /nfs/dbraw/zinc/47/16/29/409471629.db2.gz YGIFQIQMTUHGPX-SECBINFHSA-N 2 2 194.282 0.201 20 0 ACADLP Cn1ccc(C[N@H+]2CC[C@H](C[NH3+])C2)n1 123981895 409471634 /nfs/dbraw/zinc/47/16/34/409471634.db2.gz YGIFQIQMTUHGPX-SECBINFHSA-N 2 2 194.282 0.201 20 0 ACADLP Cc1[nH+]cc(C[NH2+]CC[C@H](C)O)n1C 657361979 409472519 /nfs/dbraw/zinc/47/25/19/409472519.db2.gz NCLAAJWZXFFLDB-QMMMGPOBSA-N 2 2 197.282 0.589 20 0 ACADLP CC[N@@H+]1CCO[C@@H]([C@H](C)[NH3+])C1 125368879 409473241 /nfs/dbraw/zinc/47/32/41/409473241.db2.gz MUIHSLFYQSPBHG-JGVFFNPUSA-N 2 2 158.245 0.054 20 0 ACADLP CC[N@H+]1CCO[C@@H]([C@H](C)[NH3+])C1 125368879 409473243 /nfs/dbraw/zinc/47/32/43/409473243.db2.gz MUIHSLFYQSPBHG-JGVFFNPUSA-N 2 2 158.245 0.054 20 0 ACADLP C[C@@H](C[NH3+])[N@H+](C)CCCF 125549020 409473362 /nfs/dbraw/zinc/47/33/62/409473362.db2.gz MZRSSIHVXLGASW-ZETCQYMHSA-N 2 2 148.225 0.625 20 0 ACADLP C[C@@H](C[NH3+])[N@@H+](C)CCCF 125549020 409473367 /nfs/dbraw/zinc/47/33/67/409473367.db2.gz MZRSSIHVXLGASW-ZETCQYMHSA-N 2 2 148.225 0.625 20 0 ACADLP CC[N@@H+]1CCO[C@H]([C@H](C)[NH3+])C1 125368623 409473482 /nfs/dbraw/zinc/47/34/82/409473482.db2.gz MUIHSLFYQSPBHG-YUMQZZPRSA-N 2 2 158.245 0.054 20 0 ACADLP CC[N@H+]1CCO[C@H]([C@H](C)[NH3+])C1 125368623 409473487 /nfs/dbraw/zinc/47/34/87/409473487.db2.gz MUIHSLFYQSPBHG-YUMQZZPRSA-N 2 2 158.245 0.054 20 0 ACADLP C[C@H](C[NH3+])[N@H+](C)CCCF 125549304 409473559 /nfs/dbraw/zinc/47/35/59/409473559.db2.gz MZRSSIHVXLGASW-SSDOTTSWSA-N 2 2 148.225 0.625 20 0 ACADLP C[C@H](C[NH3+])[N@@H+](C)CCCF 125549304 409473565 /nfs/dbraw/zinc/47/35/65/409473565.db2.gz MZRSSIHVXLGASW-SSDOTTSWSA-N 2 2 148.225 0.625 20 0 ACADLP Cc1[nH+]cc(C[NH2+][C@H](C)CCO)n1C 657368351 409473638 /nfs/dbraw/zinc/47/36/38/409473638.db2.gz PCKLHXJEKPTVDC-MRVPVSSYSA-N 2 2 197.282 0.589 20 0 ACADLP Cc1[nH+]cc(C[NH2+][C@@H](C)CCO)n1C 657368352 409473676 /nfs/dbraw/zinc/47/36/76/409473676.db2.gz PCKLHXJEKPTVDC-QMMMGPOBSA-N 2 2 197.282 0.589 20 0 ACADLP Cc1[nH+]cc(C[NH2+][C@@H](C)CO)n1C 657377388 409474289 /nfs/dbraw/zinc/47/42/89/409474289.db2.gz CTHGMSJFUMTTSI-ZETCQYMHSA-N 2 2 183.255 0.199 20 0 ACADLP C[C@@H](CO)[NH2+]Cc1c[nH+]c2n1CCC2 657377736 409474546 /nfs/dbraw/zinc/47/45/46/409474546.db2.gz FVQLBDKEPYKGHD-QMMMGPOBSA-N 2 2 195.266 0.300 20 0 ACADLP Cc1[nH+]cc(C[NH2+][C@H]2CCOC2)n1C 657415669 409475873 /nfs/dbraw/zinc/47/58/73/409475873.db2.gz LMMJJTAFKYBXOS-VIFPVBQESA-N 2 2 195.266 0.607 20 0 ACADLP CCOCC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2 126717069 409475613 /nfs/dbraw/zinc/47/56/13/409475613.db2.gz LVQFNQPTPSDUTN-MNOVXSKESA-N 2 2 198.310 0.849 20 0 ACADLP CCOCC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2 126717069 409475619 /nfs/dbraw/zinc/47/56/19/409475619.db2.gz LVQFNQPTPSDUTN-MNOVXSKESA-N 2 2 198.310 0.849 20 0 ACADLP CO[C@H](C)C[NH2+]Cc1c[nH+]c(C)n1C 657445235 409475961 /nfs/dbraw/zinc/47/59/61/409475961.db2.gz CNNZITDSNROCIK-MRVPVSSYSA-N 2 2 197.282 0.853 20 0 ACADLP CO[C@@H](C)C[NH2+]Cc1c[nH+]c(C)n1C 657445236 409476104 /nfs/dbraw/zinc/47/61/04/409476104.db2.gz CNNZITDSNROCIK-QMMMGPOBSA-N 2 2 197.282 0.853 20 0 ACADLP Cc1[nH+]cc(C[NH2+]CCCCO)n1C 657451426 409476413 /nfs/dbraw/zinc/47/64/13/409476413.db2.gz SZQARLOINVSMIJ-UHFFFAOYSA-N 2 2 197.282 0.591 20 0 ACADLP Cc1[nH+]cc(C[NH2+][C@@H]2CCOC2)n1C 657415667 409476486 /nfs/dbraw/zinc/47/64/86/409476486.db2.gz LMMJJTAFKYBXOS-SECBINFHSA-N 2 2 195.266 0.607 20 0 ACADLP CC[C@H](O)C[NH2+]Cc1c[nH+]c(C)n1C 657472387 409477083 /nfs/dbraw/zinc/47/70/83/409477083.db2.gz RUTUBNMAIBZCMP-JTQLQIEISA-N 2 2 197.282 0.589 20 0 ACADLP Cc1c[nH]c(CN[C@@H](C)C[NH+](C)C)[nH+]1 657465317 409477272 /nfs/dbraw/zinc/47/72/72/409477272.db2.gz NBDNIEUBGUWDBB-VIFPVBQESA-N 2 2 196.298 0.758 20 0 ACADLP Cc1[nH+]cc(C[NH2+][C@H]2C[C@@H](O)C2)n1C 657484549 409477768 /nfs/dbraw/zinc/47/77/68/409477768.db2.gz NJKULFNHBASXRF-WAAGHKOSSA-N 2 2 195.266 0.341 20 0 ACADLP CC[C@@H](O)C[NH2+]Cc1c[nH+]c(C)n1C 657494741 409479924 /nfs/dbraw/zinc/47/99/24/409479924.db2.gz RUTUBNMAIBZCMP-SNVBAGLBSA-N 2 2 197.282 0.589 20 0 ACADLP C[C@@H](C[NH+](C)C)[NH2+]CC1(C)COC1 130480470 409484462 /nfs/dbraw/zinc/48/44/62/409484462.db2.gz APIOXCLNWGNXGS-VIFPVBQESA-N 2 2 186.299 0.563 20 0 ACADLP Cc1[nH+]cc(C[NH2+]C/C=C\CO)n1C 657595032 409484613 /nfs/dbraw/zinc/48/46/13/409484613.db2.gz WFYLWNFLSCNLLI-ARJAWSKDSA-N 2 2 195.266 0.367 20 0 ACADLP Cc1[nH+]cc(C[NH2+]C/C=C/CO)n1C 657595033 409484676 /nfs/dbraw/zinc/48/46/76/409484676.db2.gz WFYLWNFLSCNLLI-ONEGZZNKSA-N 2 2 195.266 0.367 20 0 ACADLP Cn1cncc1C[N@H+](C)CCC[NH3+] 133199445 409493412 /nfs/dbraw/zinc/49/34/12/409493412.db2.gz XPQKQDGJYUEZGS-UHFFFAOYSA-N 2 2 182.271 0.201 20 0 ACADLP Cn1cncc1C[N@@H+](C)CCC[NH3+] 133199445 409493416 /nfs/dbraw/zinc/49/34/16/409493416.db2.gz XPQKQDGJYUEZGS-UHFFFAOYSA-N 2 2 182.271 0.201 20 0 ACADLP CN(CCC[NH3+])Cc1c[nH+]cn1C 133199445 409493424 /nfs/dbraw/zinc/49/34/24/409493424.db2.gz XPQKQDGJYUEZGS-UHFFFAOYSA-N 2 2 182.271 0.201 20 0 ACADLP C[NH2+][C@@H]1CC[N@H+](CCOC(C)C)C1 133173592 409494021 /nfs/dbraw/zinc/49/40/21/409494021.db2.gz SIAHCAYOPIMYHG-SNVBAGLBSA-N 2 2 186.299 0.705 20 0 ACADLP C[NH2+][C@@H]1CC[N@@H+](CCOC(C)C)C1 133173592 409494023 /nfs/dbraw/zinc/49/40/23/409494023.db2.gz SIAHCAYOPIMYHG-SNVBAGLBSA-N 2 2 186.299 0.705 20 0 ACADLP C[NH2+][C@H]1CC[N@H+](CCOC(C)C)C1 133173373 409494970 /nfs/dbraw/zinc/49/49/70/409494970.db2.gz SIAHCAYOPIMYHG-JTQLQIEISA-N 2 2 186.299 0.705 20 0 ACADLP C[NH2+][C@H]1CC[N@@H+](CCOC(C)C)C1 133173373 409494972 /nfs/dbraw/zinc/49/49/72/409494972.db2.gz SIAHCAYOPIMYHG-JTQLQIEISA-N 2 2 186.299 0.705 20 0 ACADLP C[N@H+](CCC[NH3+])Cc1ccno1 133219881 409495132 /nfs/dbraw/zinc/49/51/32/409495132.db2.gz DITCTJNGXIIIKE-UHFFFAOYSA-N 2 2 169.228 0.455 20 0 ACADLP C[N@@H+](CCC[NH3+])Cc1ccno1 133219881 409495138 /nfs/dbraw/zinc/49/51/38/409495138.db2.gz DITCTJNGXIIIKE-UHFFFAOYSA-N 2 2 169.228 0.455 20 0 ACADLP Cc1[nH+]cc(C[NH2+][C@H]2C[C@H](O)C2)n1C 657808723 409495927 /nfs/dbraw/zinc/49/59/27/409495927.db2.gz NJKULFNHBASXRF-CZMCAQCFSA-N 2 2 195.266 0.341 20 0 ACADLP C[C@H]1OCC[C@H]1[NH2+][C@@H]1CC[NH2+]C1 133448313 409497125 /nfs/dbraw/zinc/49/71/25/409497125.db2.gz WQHOLDGBWMDKHR-IWSPIJDZSA-N 2 2 170.256 0.115 20 0 ACADLP C[C@H]1OCC[C@@H]1[NH2+][C@@H]1CC[NH2+]C1 133448731 409498687 /nfs/dbraw/zinc/49/86/87/409498687.db2.gz WQHOLDGBWMDKHR-HLTSFMKQSA-N 2 2 170.256 0.115 20 0 ACADLP C[C@H]1OCC[C@H]1[NH2+]CCn1cc[nH+]c1 133946388 409498762 /nfs/dbraw/zinc/49/87/62/409498762.db2.gz AJGYTRFDPBMDIR-NXEZZACHSA-N 2 2 195.266 0.650 20 0 ACADLP [NH3+][C@@H]1CCC[N@H+](C[C@@H]2CCCCO2)C1 217517433 409513230 /nfs/dbraw/zinc/51/32/30/409513230.db2.gz HJJHJWSBKJIAQS-MNOVXSKESA-N 2 2 198.310 0.979 20 0 ACADLP [NH3+][C@@H]1CCC[N@@H+](C[C@@H]2CCCCO2)C1 217517433 409513231 /nfs/dbraw/zinc/51/32/31/409513231.db2.gz HJJHJWSBKJIAQS-MNOVXSKESA-N 2 2 198.310 0.979 20 0 ACADLP C[NH2+][C@@H]1CC[N@H+](CC[C@H]2CCOC2)C1 300362559 409532000 /nfs/dbraw/zinc/53/20/00/409532000.db2.gz NJLNNRFRUXHBNX-WDEREUQCSA-N 2 2 198.310 0.707 20 0 ACADLP C[NH2+][C@@H]1CC[N@@H+](CC[C@H]2CCOC2)C1 300362559 409532007 /nfs/dbraw/zinc/53/20/07/409532007.db2.gz NJLNNRFRUXHBNX-WDEREUQCSA-N 2 2 198.310 0.707 20 0 ACADLP CCOCC[N@H+]1C[C@@H]([NH3+])[C@H](C)C1 300050010 409533233 /nfs/dbraw/zinc/53/32/33/409533233.db2.gz WLNPCMOMOSQDRS-RKDXNWHRSA-N 2 2 172.272 0.302 20 0 ACADLP CCOCC[N@@H+]1C[C@@H]([NH3+])[C@H](C)C1 300050010 409533245 /nfs/dbraw/zinc/53/32/45/409533245.db2.gz WLNPCMOMOSQDRS-RKDXNWHRSA-N 2 2 172.272 0.302 20 0 ACADLP C[NH2+][C@H]1CC[N@H+](CC[C@H]2CCOC2)C1 300362556 409533356 /nfs/dbraw/zinc/53/33/56/409533356.db2.gz NJLNNRFRUXHBNX-QWRGUYRKSA-N 2 2 198.310 0.707 20 0 ACADLP C[NH2+][C@H]1CC[N@@H+](CC[C@H]2CCOC2)C1 300362556 409533361 /nfs/dbraw/zinc/53/33/61/409533361.db2.gz NJLNNRFRUXHBNX-QWRGUYRKSA-N 2 2 198.310 0.707 20 0 ACADLP COC(C)(C)[C@H](C)[NH2+]CC[NH+](C)C 301022978 409540397 /nfs/dbraw/zinc/54/03/97/409540397.db2.gz QPKYPDUWTDQCBS-VIFPVBQESA-N 2 2 188.315 0.951 20 0 ACADLP COC(C)(C)[C@@H](C)[NH2+]CC[NH+](C)C 301022877 409541416 /nfs/dbraw/zinc/54/14/16/409541416.db2.gz QPKYPDUWTDQCBS-SECBINFHSA-N 2 2 188.315 0.951 20 0 ACADLP CC[C@@H](C)[N@H+](C)Cc1noc(C[NH3+])n1 300965336 409541590 /nfs/dbraw/zinc/54/15/90/409541590.db2.gz WAGZZMKEGDJRLM-SSDOTTSWSA-N 2 2 198.270 0.759 20 0 ACADLP CC[C@@H](C)[N@@H+](C)Cc1noc(C[NH3+])n1 300965336 409541594 /nfs/dbraw/zinc/54/15/94/409541594.db2.gz WAGZZMKEGDJRLM-SSDOTTSWSA-N 2 2 198.270 0.759 20 0 ACADLP CC[C@H](C)[N@H+](C)Cc1noc(C[NH3+])n1 300965341 409541927 /nfs/dbraw/zinc/54/19/27/409541927.db2.gz WAGZZMKEGDJRLM-ZETCQYMHSA-N 2 2 198.270 0.759 20 0 ACADLP CC[C@H](C)[N@@H+](C)Cc1noc(C[NH3+])n1 300965341 409541929 /nfs/dbraw/zinc/54/19/29/409541929.db2.gz WAGZZMKEGDJRLM-ZETCQYMHSA-N 2 2 198.270 0.759 20 0 ACADLP CC(C)([NH3+])C(=O)Nc1ccc(N)[nH+]c1 306209640 409546100 /nfs/dbraw/zinc/54/61/00/409546100.db2.gz NHWFXNKFMPYKLC-UHFFFAOYSA-N 2 2 194.238 0.340 20 0 ACADLP C[C@H]([NH2+][C@@H]1CC[NH2+]C1)[C@@H]1CCCCO1 306295137 409554552 /nfs/dbraw/zinc/55/45/52/409554552.db2.gz YTLKDGSIEQIKQS-AXFHLTTASA-N 2 2 198.310 0.896 20 0 ACADLP C[C@H]([NH2+][C@@H]1CC[NH2+]C1)[C@H]1CCCCO1 306295140 409554936 /nfs/dbraw/zinc/55/49/36/409554936.db2.gz YTLKDGSIEQIKQS-HBNTYKKESA-N 2 2 198.310 0.896 20 0 ACADLP C[C@H]([NH2+][C@H]1CC[NH2+]C1)[C@H]1CCCCO1 306295139 409555744 /nfs/dbraw/zinc/55/57/44/409555744.db2.gz YTLKDGSIEQIKQS-GARJFASQSA-N 2 2 198.310 0.896 20 0 ACADLP C[C@H]([NH2+][C@H]1CC[NH2+]C1)[C@@H]1CCCCO1 306295138 409556101 /nfs/dbraw/zinc/55/61/01/409556101.db2.gz YTLKDGSIEQIKQS-DCAQKATOSA-N 2 2 198.310 0.896 20 0 ACADLP CC(C)(C)[C@H]([NH3+])c1nc(C[NH3+])no1 306352705 409561394 /nfs/dbraw/zinc/56/13/94/409561394.db2.gz ZVWRDSUJGHCLST-ZCFIWIBFSA-N 2 2 184.243 0.574 20 0 ACADLP [NH3+]Cc1noc(C2([NH3+])CCCCC2)n1 306420279 409564258 /nfs/dbraw/zinc/56/42/58/409564258.db2.gz ZFRVQHOGIRVWNR-UHFFFAOYSA-N 2 2 196.254 0.646 20 0 ACADLP [NH3+]CC[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 306512172 409573518 /nfs/dbraw/zinc/57/35/18/409573518.db2.gz OZUBVHQYMITTKB-UWVGGRQHSA-N 3 2 183.299 0.006 20 0 ACADLP [NH3+]CC[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 306512172 409573527 /nfs/dbraw/zinc/57/35/27/409573527.db2.gz OZUBVHQYMITTKB-UWVGGRQHSA-N 3 2 183.299 0.006 20 0 ACADLP [NH3+][C@@H]1CCC[N@H+](CCc2cn[nH]c2)C1 306510370 409574135 /nfs/dbraw/zinc/57/41/35/409574135.db2.gz KVZYMXPMGFDNAT-SNVBAGLBSA-N 2 2 194.282 0.375 20 0 ACADLP [NH3+][C@@H]1CCC[N@@H+](CCc2cn[nH]c2)C1 306510370 409574143 /nfs/dbraw/zinc/57/41/43/409574143.db2.gz KVZYMXPMGFDNAT-SNVBAGLBSA-N 2 2 194.282 0.375 20 0 ACADLP C[C@H]([NH3+])C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 306689148 409582713 /nfs/dbraw/zinc/58/27/13/409582713.db2.gz KKKFFKINPAMHRY-XWLWVQCSSA-N 3 2 197.326 0.393 20 0 ACADLP C[C@H]([NH3+])C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 306689148 409582721 /nfs/dbraw/zinc/58/27/21/409582721.db2.gz KKKFFKINPAMHRY-XWLWVQCSSA-N 3 2 197.326 0.393 20 0 ACADLP C[C@H]([NH3+])C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 306689146 409582804 /nfs/dbraw/zinc/58/28/04/409582804.db2.gz KKKFFKINPAMHRY-NAKRPEOUSA-N 3 2 197.326 0.393 20 0 ACADLP C[C@H]([NH3+])C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 306689146 409582812 /nfs/dbraw/zinc/58/28/12/409582812.db2.gz KKKFFKINPAMHRY-NAKRPEOUSA-N 3 2 197.326 0.393 20 0 ACADLP C[C@H]([NH3+])C[N@H+]1C[C@H]2[C@@H]([NH3+])CCC[C@H]2C1 306689145 409583631 /nfs/dbraw/zinc/58/36/31/409583631.db2.gz KKKFFKINPAMHRY-MMWGEVLESA-N 3 2 197.326 0.393 20 0 ACADLP C[C@H]([NH3+])C[N@@H+]1C[C@H]2[C@@H]([NH3+])CCC[C@H]2C1 306689145 409583637 /nfs/dbraw/zinc/58/36/37/409583637.db2.gz KKKFFKINPAMHRY-MMWGEVLESA-N 3 2 197.326 0.393 20 0 ACADLP C[C@H]([NH3+])C[N@H+]1C[C@H]2[C@H]([NH3+])CCC[C@H]2C1 306689147 409584063 /nfs/dbraw/zinc/58/40/63/409584063.db2.gz KKKFFKINPAMHRY-UKKRHICBSA-N 3 2 197.326 0.393 20 0 ACADLP C[C@H]([NH3+])C[N@@H+]1C[C@H]2[C@H]([NH3+])CCC[C@H]2C1 306689147 409584068 /nfs/dbraw/zinc/58/40/68/409584068.db2.gz KKKFFKINPAMHRY-UKKRHICBSA-N 3 2 197.326 0.393 20 0 ACADLP COc1cc[nH+]cc1NC(=O)CC[NH3+] 306760741 409587362 /nfs/dbraw/zinc/58/73/62/409587362.db2.gz RIOGPRIMZKPPNH-UHFFFAOYSA-N 2 2 195.222 0.378 20 0 ACADLP C[NH2+]CCC(=O)Nc1ccc(N)[nH+]c1 306761290 409587595 /nfs/dbraw/zinc/58/75/95/409587595.db2.gz RQANUOUXIXNREA-UHFFFAOYSA-N 2 2 194.238 0.212 20 0 ACADLP C[C@@H]1CC[C@@H](C[NH2+][C@H]2CCC[NH2+]C2)O1 306771781 409590459 /nfs/dbraw/zinc/59/04/59/409590459.db2.gz GWTULSQXIZVRET-VWYCJHECSA-N 2 2 198.310 0.896 20 0 ACADLP C[C@@H]1CC[C@H](C[NH2+][C@H]2CCC[NH2+]C2)O1 306771780 409590822 /nfs/dbraw/zinc/59/08/22/409590822.db2.gz GWTULSQXIZVRET-OUAUKWLOSA-N 2 2 198.310 0.896 20 0 ACADLP C[C@@H]1CC[C@@H](C[NH2+][C@@H]2CCC[NH2+]C2)O1 306771779 409591213 /nfs/dbraw/zinc/59/12/13/409591213.db2.gz GWTULSQXIZVRET-MXWKQRLJSA-N 2 2 198.310 0.896 20 0 ACADLP C[C@@H]1CC[C@H](C[NH2+][C@@H]2CCC[NH2+]C2)O1 306771778 409591310 /nfs/dbraw/zinc/59/13/10/409591310.db2.gz GWTULSQXIZVRET-GMTAPVOTSA-N 2 2 198.310 0.896 20 0 ACADLP C[C@@H]1C[C@H](NCC[NH3+])c2[nH+]ccn21 306946606 409603424 /nfs/dbraw/zinc/60/34/24/409603424.db2.gz MXZISCZNEQGUPR-SFYZADRCSA-N 2 2 180.255 0.437 20 0 ACADLP C[C@H]1C[C@@H](NCC[NH3+])c2[nH+]ccn21 306946605 409603581 /nfs/dbraw/zinc/60/35/81/409603581.db2.gz MXZISCZNEQGUPR-JGVFFNPUSA-N 2 2 180.255 0.437 20 0 ACADLP C[C@H]1C[C@H](NCC[NH3+])c2[nH+]ccn21 306946607 409604970 /nfs/dbraw/zinc/60/49/70/409604970.db2.gz MXZISCZNEQGUPR-YUMQZZPRSA-N 2 2 180.255 0.437 20 0 ACADLP C[C@@H]1C[C@@H](NCC[NH3+])c2[nH+]ccn21 306946604 409604996 /nfs/dbraw/zinc/60/49/96/409604996.db2.gz MXZISCZNEQGUPR-HTQZYQBOSA-N 2 2 180.255 0.437 20 0 ACADLP C[C@@H]1C[N@H+](C[C@H]2CCC[NH2+]C2)C[C@H]1[NH3+] 307138409 409619761 /nfs/dbraw/zinc/61/97/61/409619761.db2.gz ZPMJAZTURKFPTM-OUAUKWLOSA-N 3 2 197.326 0.265 20 0 ACADLP C[C@@H]1C[N@@H+](C[C@H]2CCC[NH2+]C2)C[C@H]1[NH3+] 307138409 409619767 /nfs/dbraw/zinc/61/97/67/409619767.db2.gz ZPMJAZTURKFPTM-OUAUKWLOSA-N 3 2 197.326 0.265 20 0 ACADLP C[C@@H]1C[N@H+](C[C@@H]2CCC[NH2+]C2)C[C@H]1[NH3+] 307138407 409620259 /nfs/dbraw/zinc/62/02/59/409620259.db2.gz ZPMJAZTURKFPTM-GMTAPVOTSA-N 3 2 197.326 0.265 20 0 ACADLP C[C@@H]1C[N@@H+](C[C@@H]2CCC[NH2+]C2)C[C@H]1[NH3+] 307138407 409620262 /nfs/dbraw/zinc/62/02/62/409620262.db2.gz ZPMJAZTURKFPTM-GMTAPVOTSA-N 3 2 197.326 0.265 20 0 ACADLP CC[C@H]([NH3+])c1nc([C@H]2CCC[NH2+]2)no1 307194408 409626674 /nfs/dbraw/zinc/62/66/74/409626674.db2.gz PLUQCWHVPAFMLZ-NKWVEPMBSA-N 2 2 196.254 0.904 20 0 ACADLP CC[C@H]([NH3+])c1nc([C@@H]2CCC[NH2+]2)no1 307194407 409627004 /nfs/dbraw/zinc/62/70/04/409627004.db2.gz PLUQCWHVPAFMLZ-BQBZGAKWSA-N 2 2 196.254 0.904 20 0 ACADLP C[C@]1(C[NH3+])CC[N@H+](C[C@@H]2CC[NH2+]C2)C1 307196547 409627035 /nfs/dbraw/zinc/62/70/35/409627035.db2.gz UDEAKGPBZFSNHO-GHMZBOCLSA-N 3 2 197.326 0.267 20 0 ACADLP C[C@]1(C[NH3+])CC[N@@H+](C[C@@H]2CC[NH2+]C2)C1 307196547 409627039 /nfs/dbraw/zinc/62/70/39/409627039.db2.gz UDEAKGPBZFSNHO-GHMZBOCLSA-N 3 2 197.326 0.267 20 0 ACADLP C[C@@]1(C[NH3+])CC[N@H+](C[C@@H]2CC[NH2+]C2)C1 307196548 409627054 /nfs/dbraw/zinc/62/70/54/409627054.db2.gz UDEAKGPBZFSNHO-MNOVXSKESA-N 3 2 197.326 0.267 20 0 ACADLP C[C@@]1(C[NH3+])CC[N@@H+](C[C@@H]2CC[NH2+]C2)C1 307196548 409627055 /nfs/dbraw/zinc/62/70/55/409627055.db2.gz UDEAKGPBZFSNHO-MNOVXSKESA-N 3 2 197.326 0.267 20 0 ACADLP C[C@]1(C[NH3+])CC[N@H+](C[C@H]2CC[NH2+]C2)C1 307196550 409627164 /nfs/dbraw/zinc/62/71/64/409627164.db2.gz UDEAKGPBZFSNHO-WDEREUQCSA-N 3 2 197.326 0.267 20 0 ACADLP C[C@]1(C[NH3+])CC[N@@H+](C[C@H]2CC[NH2+]C2)C1 307196550 409627166 /nfs/dbraw/zinc/62/71/66/409627166.db2.gz UDEAKGPBZFSNHO-WDEREUQCSA-N 3 2 197.326 0.267 20 0 ACADLP C[C@@]1(C[NH3+])CC[N@H+](C[C@H]2CC[NH2+]C2)C1 307196549 409627191 /nfs/dbraw/zinc/62/71/91/409627191.db2.gz UDEAKGPBZFSNHO-QWRGUYRKSA-N 3 2 197.326 0.267 20 0 ACADLP C[C@@]1(C[NH3+])CC[N@@H+](C[C@H]2CC[NH2+]C2)C1 307196549 409627194 /nfs/dbraw/zinc/62/71/94/409627194.db2.gz UDEAKGPBZFSNHO-QWRGUYRKSA-N 3 2 197.326 0.267 20 0 ACADLP [NH3+][C@H]1CC[N@H+](CC2=CCCOC2)C1 307268258 409629052 /nfs/dbraw/zinc/62/90/52/409629052.db2.gz LXXUFJQGXDIBKD-JTQLQIEISA-N 2 2 182.267 0.366 20 0 ACADLP [NH3+][C@H]1CC[N@@H+](CC2=CCCOC2)C1 307268258 409629063 /nfs/dbraw/zinc/62/90/63/409629063.db2.gz LXXUFJQGXDIBKD-JTQLQIEISA-N 2 2 182.267 0.366 20 0 ACADLP [NH3+][C@@H]1CC[N@H+](CC2=CCCOC2)C1 307268260 409629432 /nfs/dbraw/zinc/62/94/32/409629432.db2.gz LXXUFJQGXDIBKD-SNVBAGLBSA-N 2 2 182.267 0.366 20 0 ACADLP [NH3+][C@@H]1CC[N@@H+](CC2=CCCOC2)C1 307268260 409629440 /nfs/dbraw/zinc/62/94/40/409629440.db2.gz LXXUFJQGXDIBKD-SNVBAGLBSA-N 2 2 182.267 0.366 20 0 ACADLP COc1cc[nH+]cc1NC(=O)[C@H](C)[NH3+] 307259653 409630031 /nfs/dbraw/zinc/63/00/31/409630031.db2.gz KTLQCPFORWAVMX-LURJTMIESA-N 2 2 195.222 0.376 20 0 ACADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@@H]1CCC[C@H]1O 307247714 409630637 /nfs/dbraw/zinc/63/06/37/409630637.db2.gz HXCWKAFVDWNKNL-CHWFTXMASA-N 2 2 198.310 0.440 20 0 ACADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@@H]1CCC[C@H]1O 307247714 409630643 /nfs/dbraw/zinc/63/06/43/409630643.db2.gz HXCWKAFVDWNKNL-CHWFTXMASA-N 2 2 198.310 0.440 20 0 ACADLP CC[C@@H]([NH3+])c1nc([C@H]2CCC[NH2+]2)no1 307396664 409640801 /nfs/dbraw/zinc/64/08/01/409640801.db2.gz PLUQCWHVPAFMLZ-RNFRBKRXSA-N 2 2 196.254 0.904 20 0 ACADLP CC[C@@H]([NH3+])c1nc([C@@H]2CCC[NH2+]2)no1 307396665 409642639 /nfs/dbraw/zinc/64/26/39/409642639.db2.gz PLUQCWHVPAFMLZ-RQJHMYQMSA-N 2 2 196.254 0.904 20 0 ACADLP CC1([NH3+])CC[NH+](Cc2ccno2)CC1 307447091 409644622 /nfs/dbraw/zinc/64/46/22/409644622.db2.gz PRVDUAXOHFYPDD-UHFFFAOYSA-N 2 2 195.266 0.988 20 0 ACADLP Nc1ccc(NC(=O)C2([NH3+])CC2)c[nH+]1 307417493 409645491 /nfs/dbraw/zinc/64/54/91/409645491.db2.gz KTDLNUXWANNTTJ-UHFFFAOYSA-N 2 2 192.222 0.094 20 0 ACADLP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1cc[nH]n1 307472104 409648339 /nfs/dbraw/zinc/64/83/39/409648339.db2.gz AEYDCBQMMQQFFT-BDAKNGLRSA-N 2 2 194.282 0.721 20 0 ACADLP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1cc[nH]n1 307472104 409648348 /nfs/dbraw/zinc/64/83/48/409648348.db2.gz AEYDCBQMMQQFFT-BDAKNGLRSA-N 2 2 194.282 0.721 20 0 ACADLP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1cc[nH]n1 307472106 409648528 /nfs/dbraw/zinc/64/85/28/409648528.db2.gz AEYDCBQMMQQFFT-IUCAKERBSA-N 2 2 194.282 0.721 20 0 ACADLP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1cc[nH]n1 307472106 409648536 /nfs/dbraw/zinc/64/85/36/409648536.db2.gz AEYDCBQMMQQFFT-IUCAKERBSA-N 2 2 194.282 0.721 20 0 ACADLP Nc1ccc(NC(=O)CCC[NH3+])c[nH+]1 307466148 409649236 /nfs/dbraw/zinc/64/92/36/409649236.db2.gz AOMFYWVOMZPIJT-UHFFFAOYSA-N 2 2 194.238 0.341 20 0 ACADLP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1cc[nH]n1 307472107 409649265 /nfs/dbraw/zinc/64/92/65/409649265.db2.gz AEYDCBQMMQQFFT-RKDXNWHRSA-N 2 2 194.282 0.721 20 0 ACADLP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1Cc1cc[nH]n1 307472107 409649271 /nfs/dbraw/zinc/64/92/71/409649271.db2.gz AEYDCBQMMQQFFT-RKDXNWHRSA-N 2 2 194.282 0.721 20 0 ACADLP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1cc[nH]n1 307472105 409649521 /nfs/dbraw/zinc/64/95/21/409649521.db2.gz AEYDCBQMMQQFFT-DTWKUNHWSA-N 2 2 194.282 0.721 20 0 ACADLP C[C@H]1C[C@H]([NH3+])CC[N@H+]1Cc1cc[nH]n1 307472105 409649528 /nfs/dbraw/zinc/64/95/28/409649528.db2.gz AEYDCBQMMQQFFT-DTWKUNHWSA-N 2 2 194.282 0.721 20 0 ACADLP CC[C@H]([NH3+])c1nc(C2([NH3+])CCC2)no1 307526104 409652222 /nfs/dbraw/zinc/65/22/22/409652222.db2.gz CJXJZAADDPESFD-LURJTMIESA-N 2 2 196.254 0.817 20 0 ACADLP Nc1cccc(C[NH2+][C@H]2CC[NH2+]C2)c1 307523947 409652681 /nfs/dbraw/zinc/65/26/81/409652681.db2.gz ZXRCLJXWHDLPOA-NSHDSACASA-N 2 2 191.278 0.720 20 0 ACADLP CC(C)([NH3+])c1nc(C2([NH3+])CCC2)no1 307504456 409652699 /nfs/dbraw/zinc/65/26/99/409652699.db2.gz KKLXSSYASYDCHQ-UHFFFAOYSA-N 2 2 196.254 0.601 20 0 ACADLP Nc1cccc(C[NH2+][C@@H]2CC[NH2+]C2)c1 307523946 409652808 /nfs/dbraw/zinc/65/28/08/409652808.db2.gz ZXRCLJXWHDLPOA-LLVKDONJSA-N 2 2 191.278 0.720 20 0 ACADLP C[C@@H]([NH2+]CCF)[C@H]1CCC[NH2+]1 307663607 409665097 /nfs/dbraw/zinc/66/50/97/409665097.db2.gz XNDZZFUOZKCPQR-HTQZYQBOSA-N 2 2 160.236 0.686 20 0 ACADLP C[C@@H]([NH2+]CCF)[C@@H]1CCC[NH2+]1 307663609 409665733 /nfs/dbraw/zinc/66/57/33/409665733.db2.gz XNDZZFUOZKCPQR-SFYZADRCSA-N 2 2 160.236 0.686 20 0 ACADLP C[C@H]([NH2+]CCF)[C@H]1CCC[NH2+]1 307663608 409665865 /nfs/dbraw/zinc/66/58/65/409665865.db2.gz XNDZZFUOZKCPQR-JGVFFNPUSA-N 2 2 160.236 0.686 20 0 ACADLP C[C@H]([NH2+]CCF)[C@@H]1CCC[NH2+]1 307663610 409666222 /nfs/dbraw/zinc/66/62/22/409666222.db2.gz XNDZZFUOZKCPQR-YUMQZZPRSA-N 2 2 160.236 0.686 20 0 ACADLP C[C@@H]1C[N@H+](C[C@@H]2CC[NH2+]C2)CC[C@@H]1[NH3+] 307753368 409669075 /nfs/dbraw/zinc/66/90/75/409669075.db2.gz VNOWDBDYWOZTBD-MXWKQRLJSA-N 3 2 197.326 0.265 20 0 ACADLP C[C@@H]1C[N@@H+](C[C@@H]2CC[NH2+]C2)CC[C@@H]1[NH3+] 307753368 409669081 /nfs/dbraw/zinc/66/90/81/409669081.db2.gz VNOWDBDYWOZTBD-MXWKQRLJSA-N 3 2 197.326 0.265 20 0 ACADLP C[C@@H]1C[N@H+](C[C@H]2CC[NH2+]C2)CC[C@H]1[NH3+] 307753369 409669710 /nfs/dbraw/zinc/66/97/10/409669710.db2.gz VNOWDBDYWOZTBD-OUAUKWLOSA-N 3 2 197.326 0.265 20 0 ACADLP C[C@@H]1C[N@@H+](C[C@H]2CC[NH2+]C2)CC[C@H]1[NH3+] 307753369 409669717 /nfs/dbraw/zinc/66/97/17/409669717.db2.gz VNOWDBDYWOZTBD-OUAUKWLOSA-N 3 2 197.326 0.265 20 0 ACADLP C[C@@H]1C[N@H+](C[C@H]2CC[NH2+]C2)CC[C@@H]1[NH3+] 307753370 409670172 /nfs/dbraw/zinc/67/01/72/409670172.db2.gz VNOWDBDYWOZTBD-VWYCJHECSA-N 3 2 197.326 0.265 20 0 ACADLP C[C@@H]1C[N@@H+](C[C@H]2CC[NH2+]C2)CC[C@@H]1[NH3+] 307753370 409670178 /nfs/dbraw/zinc/67/01/78/409670178.db2.gz VNOWDBDYWOZTBD-VWYCJHECSA-N 3 2 197.326 0.265 20 0 ACADLP C[C@@H]1C[N@H+](C[C@@H]2CC[NH2+]C2)CC[C@H]1[NH3+] 307753367 409670659 /nfs/dbraw/zinc/67/06/59/409670659.db2.gz VNOWDBDYWOZTBD-GMTAPVOTSA-N 3 2 197.326 0.265 20 0 ACADLP C[C@@H]1C[N@@H+](C[C@@H]2CC[NH2+]C2)CC[C@H]1[NH3+] 307753367 409670667 /nfs/dbraw/zinc/67/06/67/409670667.db2.gz VNOWDBDYWOZTBD-GMTAPVOTSA-N 3 2 197.326 0.265 20 0 ACADLP C[NH2+]CCC[N@H+](C)Cc1cn[nH]c1 308125152 409683469 /nfs/dbraw/zinc/68/34/69/409683469.db2.gz AJQICKYTZMLBQC-UHFFFAOYSA-N 2 2 182.271 0.451 20 0 ACADLP C[NH2+]CCC[N@@H+](C)Cc1cn[nH]c1 308125152 409683481 /nfs/dbraw/zinc/68/34/81/409683481.db2.gz AJQICKYTZMLBQC-UHFFFAOYSA-N 2 2 182.271 0.451 20 0 ACADLP CC[N@H+](C)C[C@H](O)Cn1cc[nH+]c1 308212852 409698630 /nfs/dbraw/zinc/69/86/30/409698630.db2.gz XIKHCUVORZZCCQ-VIFPVBQESA-N 2 2 183.255 0.196 20 0 ACADLP CC[N@@H+](C)C[C@H](O)Cn1cc[nH+]c1 308212852 409698633 /nfs/dbraw/zinc/69/86/33/409698633.db2.gz XIKHCUVORZZCCQ-VIFPVBQESA-N 2 2 183.255 0.196 20 0 ACADLP CC[N@H+](C)C[C@@H](O)Cn1cc[nH+]c1 308212850 409701351 /nfs/dbraw/zinc/70/13/51/409701351.db2.gz XIKHCUVORZZCCQ-SECBINFHSA-N 2 2 183.255 0.196 20 0 ACADLP CC[N@@H+](C)C[C@@H](O)Cn1cc[nH+]c1 308212850 409701359 /nfs/dbraw/zinc/70/13/59/409701359.db2.gz XIKHCUVORZZCCQ-SECBINFHSA-N 2 2 183.255 0.196 20 0 ACADLP Cc1nocc1C[NH2+]CC1([NH3+])CCC1 662266968 409705440 /nfs/dbraw/zinc/70/54/40/409705440.db2.gz REBHBTHSAAUVSB-UHFFFAOYSA-N 2 2 195.266 0.954 20 0 ACADLP Cc1nocc1C[N@@H+](C)C1CC([NH3+])C1 662274484 409705870 /nfs/dbraw/zinc/70/58/70/409705870.db2.gz URYQHHXQVVKEQD-UHFFFAOYSA-N 2 2 195.266 0.905 20 0 ACADLP Cc1nocc1C[N@H+](C)C1CC([NH3+])C1 662274484 409705881 /nfs/dbraw/zinc/70/58/81/409705881.db2.gz URYQHHXQVVKEQD-UHFFFAOYSA-N 2 2 195.266 0.905 20 0 ACADLP C[C@H]([NH3+])C[N@@H+]1CCC[C@@H]2OCC[C@@H]21 662299283 409710468 /nfs/dbraw/zinc/71/04/68/409710468.db2.gz WWYYAMZVGKFOSV-GUBZILKMSA-N 2 2 184.283 0.587 20 0 ACADLP C[C@H]([NH3+])C[N@H+]1CCC[C@@H]2OCC[C@@H]21 662299283 409710477 /nfs/dbraw/zinc/71/04/77/409710477.db2.gz WWYYAMZVGKFOSV-GUBZILKMSA-N 2 2 184.283 0.587 20 0 ACADLP COCC1([N@H+](C)CC[NH3+])CC1 662297088 409710732 /nfs/dbraw/zinc/71/07/32/409710732.db2.gz ABWVPFGKMTURGK-UHFFFAOYSA-N 2 2 158.245 0.056 20 0 ACADLP COCC1([N@@H+](C)CC[NH3+])CC1 662297088 409710738 /nfs/dbraw/zinc/71/07/38/409710738.db2.gz ABWVPFGKMTURGK-UHFFFAOYSA-N 2 2 158.245 0.056 20 0 ACADLP COCC1([N@H+](C)C[C@H](C)[NH3+])CC1 662299356 409710778 /nfs/dbraw/zinc/71/07/78/409710778.db2.gz YUGNGXAUTZOIAY-QMMMGPOBSA-N 2 2 172.272 0.444 20 0 ACADLP COCC1([N@@H+](C)C[C@H](C)[NH3+])CC1 662299356 409710783 /nfs/dbraw/zinc/71/07/83/409710783.db2.gz YUGNGXAUTZOIAY-QMMMGPOBSA-N 2 2 172.272 0.444 20 0 ACADLP COCC1([N@H+](C)C[C@@H](C)[NH3+])CC1 662299355 409711773 /nfs/dbraw/zinc/71/17/73/409711773.db2.gz YUGNGXAUTZOIAY-MRVPVSSYSA-N 2 2 172.272 0.444 20 0 ACADLP COCC1([N@@H+](C)C[C@@H](C)[NH3+])CC1 662299355 409711777 /nfs/dbraw/zinc/71/17/77/409711777.db2.gz YUGNGXAUTZOIAY-MRVPVSSYSA-N 2 2 172.272 0.444 20 0 ACADLP C[C@@H]([NH3+])C[N@@H+]1CCC[C@@H]2OCC[C@@H]21 662299284 409711991 /nfs/dbraw/zinc/71/19/91/409711991.db2.gz WWYYAMZVGKFOSV-UTLUCORTSA-N 2 2 184.283 0.587 20 0 ACADLP C[C@@H]([NH3+])C[N@H+]1CCC[C@@H]2OCC[C@@H]21 662299284 409711996 /nfs/dbraw/zinc/71/19/96/409711996.db2.gz WWYYAMZVGKFOSV-UTLUCORTSA-N 2 2 184.283 0.587 20 0 ACADLP [NH3+]CC[N@@H+]1CCC[C@@H]2OCC[C@@H]21 662297117 409712936 /nfs/dbraw/zinc/71/29/36/409712936.db2.gz AXCQVOKGSVNQGC-IUCAKERBSA-N 2 2 170.256 0.198 20 0 ACADLP [NH3+]CC[N@H+]1CCC[C@@H]2OCC[C@@H]21 662297117 409712943 /nfs/dbraw/zinc/71/29/43/409712943.db2.gz AXCQVOKGSVNQGC-IUCAKERBSA-N 2 2 170.256 0.198 20 0 ACADLP C[C@H]([NH3+])C[N@H+](C)CC1=CCSC1 662328116 409713613 /nfs/dbraw/zinc/71/36/13/409713613.db2.gz YRGAAMSUQQQUDC-QMMMGPOBSA-N 2 2 186.324 0.939 20 0 ACADLP C[C@H]([NH3+])C[N@@H+](C)CC1=CCSC1 662328116 409713624 /nfs/dbraw/zinc/71/36/24/409713624.db2.gz YRGAAMSUQQQUDC-QMMMGPOBSA-N 2 2 186.324 0.939 20 0 ACADLP CC(C)(O)C[N@@H+]1CC[C@@H](F)[C@H]([NH3+])C1 662323202 409713910 /nfs/dbraw/zinc/71/39/10/409713910.db2.gz MNJHSHHIYBQFDR-HTQZYQBOSA-N 2 2 190.262 0.128 20 0 ACADLP CC(C)(O)C[N@H+]1CC[C@@H](F)[C@H]([NH3+])C1 662323202 409713914 /nfs/dbraw/zinc/71/39/14/409713914.db2.gz MNJHSHHIYBQFDR-HTQZYQBOSA-N 2 2 190.262 0.128 20 0 ACADLP [NH3+][C@@H]1C[N@H+](CCCF)CC[C@H]1F 662325451 409714355 /nfs/dbraw/zinc/71/43/55/409714355.db2.gz GJVAZBBSAKVLFV-HTQZYQBOSA-N 2 2 178.226 0.717 20 0 ACADLP [NH3+][C@@H]1C[N@@H+](CCCF)CC[C@H]1F 662325451 409714364 /nfs/dbraw/zinc/71/43/64/409714364.db2.gz GJVAZBBSAKVLFV-HTQZYQBOSA-N 2 2 178.226 0.717 20 0 ACADLP C[C@@H]([NH3+])C[N@H+](C)CC1=CCSC1 662328115 409714576 /nfs/dbraw/zinc/71/45/76/409714576.db2.gz YRGAAMSUQQQUDC-MRVPVSSYSA-N 2 2 186.324 0.939 20 0 ACADLP C[C@@H]([NH3+])C[N@@H+](C)CC1=CCSC1 662328115 409714584 /nfs/dbraw/zinc/71/45/84/409714584.db2.gz YRGAAMSUQQQUDC-MRVPVSSYSA-N 2 2 186.324 0.939 20 0 ACADLP C[NH2+]CCC[NH+]1CCC([NH3+])CC1 308389541 409714735 /nfs/dbraw/zinc/71/47/35/409714735.db2.gz XDCTWPKHOHVHJL-UHFFFAOYSA-N 3 2 171.288 0.019 20 0 ACADLP C[C@@H]([NH3+])C[N@H+](C)CC1=CCCOC1 662307306 409715539 /nfs/dbraw/zinc/71/55/39/409715539.db2.gz ZNBATRNMQOLBJC-SECBINFHSA-N 2 2 184.283 0.612 20 0 ACADLP C[C@@H]([NH3+])C[N@@H+](C)CC1=CCCOC1 662307306 409715547 /nfs/dbraw/zinc/71/55/47/409715547.db2.gz ZNBATRNMQOLBJC-SECBINFHSA-N 2 2 184.283 0.612 20 0 ACADLP C[N@H+](CC[NH3+])CC1=CCSC1 662326864 409715888 /nfs/dbraw/zinc/71/58/88/409715888.db2.gz FHOCAZZCGPOTMP-UHFFFAOYSA-N 2 2 172.297 0.550 20 0 ACADLP C[N@@H+](CC[NH3+])CC1=CCSC1 662326864 409715898 /nfs/dbraw/zinc/71/58/98/409715898.db2.gz FHOCAZZCGPOTMP-UHFFFAOYSA-N 2 2 172.297 0.550 20 0 ACADLP C[C@H]([NH3+])C[N@H+](C)CC1=CCCOC1 662307307 409716512 /nfs/dbraw/zinc/71/65/12/409716512.db2.gz ZNBATRNMQOLBJC-VIFPVBQESA-N 2 2 184.283 0.612 20 0 ACADLP C[C@H]([NH3+])C[N@@H+](C)CC1=CCCOC1 662307307 409716516 /nfs/dbraw/zinc/71/65/16/409716516.db2.gz ZNBATRNMQOLBJC-VIFPVBQESA-N 2 2 184.283 0.612 20 0 ACADLP COC[C@H](C)[N@@H+]1CC[C@@H](F)[C@H]([NH3+])C1 662325388 409716929 /nfs/dbraw/zinc/71/69/29/409716929.db2.gz MNKHGYKYCDAZHJ-DJLDLDEBSA-N 2 2 190.262 0.392 20 0 ACADLP COC[C@H](C)[N@H+]1CC[C@@H](F)[C@H]([NH3+])C1 662325388 409716933 /nfs/dbraw/zinc/71/69/33/409716933.db2.gz MNKHGYKYCDAZHJ-DJLDLDEBSA-N 2 2 190.262 0.392 20 0 ACADLP C[N@H+](CC[NH3+])CC1=CCCOC1 662305572 409717309 /nfs/dbraw/zinc/71/73/09/409717309.db2.gz JWWMTPARHJQESE-UHFFFAOYSA-N 2 2 170.256 0.224 20 0 ACADLP C[N@@H+](CC[NH3+])CC1=CCCOC1 662305572 409717313 /nfs/dbraw/zinc/71/73/13/409717313.db2.gz JWWMTPARHJQESE-UHFFFAOYSA-N 2 2 170.256 0.224 20 0 ACADLP COC[C@@H](C)[N@@H+]1CC[C@@H](F)[C@H]([NH3+])C1 662325588 409717585 /nfs/dbraw/zinc/71/75/85/409717585.db2.gz MNKHGYKYCDAZHJ-IWSPIJDZSA-N 2 2 190.262 0.392 20 0 ACADLP COC[C@@H](C)[N@H+]1CC[C@@H](F)[C@H]([NH3+])C1 662325588 409717594 /nfs/dbraw/zinc/71/75/94/409717594.db2.gz MNKHGYKYCDAZHJ-IWSPIJDZSA-N 2 2 190.262 0.392 20 0 ACADLP C[C@H]([NH3+])C[NH2+][C@](C)(C[NH3+])C1CC1 308425647 409721905 /nfs/dbraw/zinc/72/19/05/409721905.db2.gz WLBKAYVKFQKNCA-IONNQARKSA-N 3 2 171.288 0.051 20 0 ACADLP C[C@@H]([NH3+])C[NH2+][C@](C)(C[NH3+])C1CC1 308425653 409722336 /nfs/dbraw/zinc/72/23/36/409722336.db2.gz WLBKAYVKFQKNCA-VXNVDRBHSA-N 3 2 171.288 0.051 20 0 ACADLP C[C@H]([NH3+])C[NH2+][C@@](C)(C[NH3+])C1CC1 308425643 409722749 /nfs/dbraw/zinc/72/27/49/409722749.db2.gz WLBKAYVKFQKNCA-CBAPKCEASA-N 3 2 171.288 0.051 20 0 ACADLP C[C@@H]([NH3+])C[NH2+][C@@](C)(C[NH3+])C1CC1 308425638 409724606 /nfs/dbraw/zinc/72/46/06/409724606.db2.gz WLBKAYVKFQKNCA-APPZFPTMSA-N 3 2 171.288 0.051 20 0 ACADLP C[C@H](CNCc1[nH]cc[nH+]1)C[NH+](C)C 308492212 409726066 /nfs/dbraw/zinc/72/60/66/409726066.db2.gz AFVYFEUXLQLSKI-SECBINFHSA-N 2 2 196.298 0.697 20 0 ACADLP C[C@H](C[NH2+]Cc1ncc[nH]1)C[NH+](C)C 308492212 409726070 /nfs/dbraw/zinc/72/60/70/409726070.db2.gz AFVYFEUXLQLSKI-SECBINFHSA-N 2 2 196.298 0.697 20 0 ACADLP C[C@@H](CNCc1[nH]cc[nH+]1)C[NH+](C)C 308492214 409726447 /nfs/dbraw/zinc/72/64/47/409726447.db2.gz AFVYFEUXLQLSKI-VIFPVBQESA-N 2 2 196.298 0.697 20 0 ACADLP C[C@@H](C[NH2+]Cc1ncc[nH]1)C[NH+](C)C 308492214 409726454 /nfs/dbraw/zinc/72/64/54/409726454.db2.gz AFVYFEUXLQLSKI-VIFPVBQESA-N 2 2 196.298 0.697 20 0 ACADLP C[NH2+]CCC[N@H+](C)CC(C)(C)C[NH3+] 308493203 409726637 /nfs/dbraw/zinc/72/66/37/409726637.db2.gz APRBXTPGBXUYPF-UHFFFAOYSA-N 3 2 187.331 0.513 20 0 ACADLP C[NH2+]CCC[N@@H+](C)CC(C)(C)C[NH3+] 308493203 409726640 /nfs/dbraw/zinc/72/66/40/409726640.db2.gz APRBXTPGBXUYPF-UHFFFAOYSA-N 3 2 187.331 0.513 20 0 ACADLP C[NH2+]CCC[NH+]1CCC(C)([NH3+])CC1 308495334 409727217 /nfs/dbraw/zinc/72/72/17/409727217.db2.gz BUGIZGWLJXPGBF-UHFFFAOYSA-N 3 2 185.315 0.409 20 0 ACADLP COC1(C[NH2+][C@@H]2CC[NH2+]C2)CCCC1 308506723 409729346 /nfs/dbraw/zinc/72/93/46/409729346.db2.gz FVCVDCJKPSNDKK-SNVBAGLBSA-N 2 2 198.310 0.897 20 0 ACADLP COC1(C[NH2+][C@H]2CC[NH2+]C2)CCCC1 308506719 409730076 /nfs/dbraw/zinc/73/00/76/409730076.db2.gz FVCVDCJKPSNDKK-JTQLQIEISA-N 2 2 198.310 0.897 20 0 ACADLP C[NH2+]CCC[N@@H+]1CC[C@@H]([NH3+])C[C@H]1C 308559013 409732521 /nfs/dbraw/zinc/73/25/21/409732521.db2.gz CXVVQNLWQCOIIY-NXEZZACHSA-N 3 2 185.315 0.408 20 0 ACADLP C[NH2+]CCC[N@H+]1CC[C@@H]([NH3+])C[C@H]1C 308559013 409732528 /nfs/dbraw/zinc/73/25/28/409732528.db2.gz CXVVQNLWQCOIIY-NXEZZACHSA-N 3 2 185.315 0.408 20 0 ACADLP C[NH2+]CCC[N@@H+]1CC[C@@H]([NH3+])C[C@@H]1C 308559015 409732998 /nfs/dbraw/zinc/73/29/98/409732998.db2.gz CXVVQNLWQCOIIY-VHSXEESVSA-N 3 2 185.315 0.408 20 0 ACADLP C[NH2+]CCC[N@H+]1CC[C@@H]([NH3+])C[C@@H]1C 308559015 409733002 /nfs/dbraw/zinc/73/30/02/409733002.db2.gz CXVVQNLWQCOIIY-VHSXEESVSA-N 3 2 185.315 0.408 20 0 ACADLP C[NH2+]CCC[N@@H+]1CC[C@H]([NH3+])C[C@@H]1C 308559014 409733593 /nfs/dbraw/zinc/73/35/93/409733593.db2.gz CXVVQNLWQCOIIY-UWVGGRQHSA-N 3 2 185.315 0.408 20 0 ACADLP C[NH2+]CCC[N@H+]1CC[C@H]([NH3+])C[C@@H]1C 308559014 409733597 /nfs/dbraw/zinc/73/35/97/409733597.db2.gz CXVVQNLWQCOIIY-UWVGGRQHSA-N 3 2 185.315 0.408 20 0 ACADLP CC[C@H]([NH2+]C)C(=O)NCc1[nH]cc[nH+]1 662454969 409736810 /nfs/dbraw/zinc/73/68/10/409736810.db2.gz HAZFSGALLMKUAE-ZETCQYMHSA-N 2 2 196.254 0.024 20 0 ACADLP CC[C@@H]([NH2+]C)C(=O)NCc1c[nH+]c[nH]1 662467467 409736838 /nfs/dbraw/zinc/73/68/38/409736838.db2.gz BMFYNVYGKZBIMS-MRVPVSSYSA-N 2 2 196.254 0.024 20 0 ACADLP CC[C@@H]([NH2+]C)C(=O)NCc1c[nH]c[nH+]1 662467467 409736843 /nfs/dbraw/zinc/73/68/43/409736843.db2.gz BMFYNVYGKZBIMS-MRVPVSSYSA-N 2 2 196.254 0.024 20 0 ACADLP CC[C@H]([NH2+]C)C(=O)NCc1c[nH+]c[nH]1 662467468 409737249 /nfs/dbraw/zinc/73/72/49/409737249.db2.gz BMFYNVYGKZBIMS-QMMMGPOBSA-N 2 2 196.254 0.024 20 0 ACADLP CC[C@H]([NH2+]C)C(=O)NCc1c[nH]c[nH+]1 662467468 409737254 /nfs/dbraw/zinc/73/72/54/409737254.db2.gz BMFYNVYGKZBIMS-QMMMGPOBSA-N 2 2 196.254 0.024 20 0 ACADLP C[NH2+]CCC[N@@H+]1CC[C@H]([NH3+])C[C@H]1C 308559016 409737525 /nfs/dbraw/zinc/73/75/25/409737525.db2.gz CXVVQNLWQCOIIY-ZJUUUORDSA-N 3 2 185.315 0.408 20 0 ACADLP C[NH2+]CCC[N@H+]1CC[C@H]([NH3+])C[C@H]1C 308559016 409737529 /nfs/dbraw/zinc/73/75/29/409737529.db2.gz CXVVQNLWQCOIIY-ZJUUUORDSA-N 3 2 185.315 0.408 20 0 ACADLP CC[C@@H]([NH2+]C)C(=O)NCc1[nH]cc[nH+]1 662454909 409738127 /nfs/dbraw/zinc/73/81/27/409738127.db2.gz HAZFSGALLMKUAE-SSDOTTSWSA-N 2 2 196.254 0.024 20 0 ACADLP CC[C@H](C)[C@H]([NH3+])c1nc(C[NH3+])no1 308596790 409739638 /nfs/dbraw/zinc/73/96/38/409739638.db2.gz ZBUZOZTWRYOWBL-FSPLSTOPSA-N 2 2 184.243 0.574 20 0 ACADLP C[NH2+]C[C@H]1CC[N@H+](CC(C)(C)[NH3+])C1 308644223 409744632 /nfs/dbraw/zinc/74/46/32/409744632.db2.gz GPPXJAVCXHBLMN-SECBINFHSA-N 3 2 185.315 0.265 20 0 ACADLP C[NH2+]C[C@H]1CC[N@@H+](CC(C)(C)[NH3+])C1 308644223 409744635 /nfs/dbraw/zinc/74/46/35/409744635.db2.gz GPPXJAVCXHBLMN-SECBINFHSA-N 3 2 185.315 0.265 20 0 ACADLP C[NH2+]C[C@@H]1CC[N@H+](CC(C)(C)[NH3+])C1 308644228 409745154 /nfs/dbraw/zinc/74/51/54/409745154.db2.gz GPPXJAVCXHBLMN-VIFPVBQESA-N 3 2 185.315 0.265 20 0 ACADLP C[NH2+]C[C@@H]1CC[N@@H+](CC(C)(C)[NH3+])C1 308644228 409745161 /nfs/dbraw/zinc/74/51/61/409745161.db2.gz GPPXJAVCXHBLMN-VIFPVBQESA-N 3 2 185.315 0.265 20 0 ACADLP CC[C@@H]([NH3+])C(=O)N(C)Cc1c[nH+]c[nH]1 662585936 409746776 /nfs/dbraw/zinc/74/67/76/409746776.db2.gz MOITWYSTMMVFPG-MRVPVSSYSA-N 2 2 196.254 0.105 20 0 ACADLP CC[C@@H]([NH3+])C(=O)N(C)Cc1c[nH]c[nH+]1 662585936 409746780 /nfs/dbraw/zinc/74/67/80/409746780.db2.gz MOITWYSTMMVFPG-MRVPVSSYSA-N 2 2 196.254 0.105 20 0 ACADLP CC[C@H]([NH3+])C(=O)N(C)Cc1c[nH+]c[nH]1 662585937 409747137 /nfs/dbraw/zinc/74/71/37/409747137.db2.gz MOITWYSTMMVFPG-QMMMGPOBSA-N 2 2 196.254 0.105 20 0 ACADLP CC[C@H]([NH3+])C(=O)N(C)Cc1c[nH]c[nH+]1 662585937 409747140 /nfs/dbraw/zinc/74/71/40/409747140.db2.gz MOITWYSTMMVFPG-QMMMGPOBSA-N 2 2 196.254 0.105 20 0 ACADLP Cc1c(C[NH2+]CC(C)(C)[NH3+])cnn1C 308649851 409748272 /nfs/dbraw/zinc/74/82/72/409748272.db2.gz JMFDNMCBKBGOKL-UHFFFAOYSA-N 2 2 196.298 0.555 20 0 ACADLP C[NH2+]CCC1CC[NH+](CC[NH3+])CC1 308687213 409750575 /nfs/dbraw/zinc/75/05/75/409750575.db2.gz ZYXVBHAQPFCLPG-UHFFFAOYSA-N 3 2 185.315 0.267 20 0 ACADLP C[N@H+](CCn1cccn1)CC(C)(C)[NH3+] 308836276 409754455 /nfs/dbraw/zinc/75/44/55/409754455.db2.gz IGKQGHACOLDHJL-UHFFFAOYSA-N 2 2 196.298 0.552 20 0 ACADLP C[N@@H+](CCn1cccn1)CC(C)(C)[NH3+] 308836276 409754459 /nfs/dbraw/zinc/75/44/59/409754459.db2.gz IGKQGHACOLDHJL-UHFFFAOYSA-N 2 2 196.298 0.552 20 0 ACADLP C[NH2+]CCC[N@@H+]1CC[C@@H](C[NH2+]C)C1 308737555 409754568 /nfs/dbraw/zinc/75/45/68/409754568.db2.gz MNYFAHZNEUSVAR-JTQLQIEISA-N 3 2 185.315 0.137 20 0 ACADLP C[NH2+]CCC[N@H+]1CC[C@@H](C[NH2+]C)C1 308737555 409754573 /nfs/dbraw/zinc/75/45/73/409754573.db2.gz MNYFAHZNEUSVAR-JTQLQIEISA-N 3 2 185.315 0.137 20 0 ACADLP C[NH2+]CCC[N@@H+]1CC[C@H](C[NH2+]C)C1 308737556 409754784 /nfs/dbraw/zinc/75/47/84/409754784.db2.gz MNYFAHZNEUSVAR-SNVBAGLBSA-N 3 2 185.315 0.137 20 0 ACADLP C[NH2+]CCC[N@H+]1CC[C@H](C[NH2+]C)C1 308737556 409754785 /nfs/dbraw/zinc/75/47/85/409754785.db2.gz MNYFAHZNEUSVAR-SNVBAGLBSA-N 3 2 185.315 0.137 20 0 ACADLP C[NH2+]CCC[N@H+]1CC[C@]2(CC[NH2+]C2)C1 308892991 409760177 /nfs/dbraw/zinc/76/01/77/409760177.db2.gz XVXORXSEVKAFRK-NSHDSACASA-N 3 2 197.326 0.281 20 0 ACADLP C[NH2+]CCC[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 308892988 409760146 /nfs/dbraw/zinc/76/01/46/409760146.db2.gz XVXORXSEVKAFRK-LLVKDONJSA-N 3 2 197.326 0.281 20 0 ACADLP C[NH2+]CCC[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 308892988 409760151 /nfs/dbraw/zinc/76/01/51/409760151.db2.gz XVXORXSEVKAFRK-LLVKDONJSA-N 3 2 197.326 0.281 20 0 ACADLP C[NH2+]CCC[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 308892991 409760168 /nfs/dbraw/zinc/76/01/68/409760168.db2.gz XVXORXSEVKAFRK-NSHDSACASA-N 3 2 197.326 0.281 20 0 ACADLP C[C@@](C[NH3+])([NH2+]C[C@@H]1CC[NH2+]C1)C1CC1 308982274 409762136 /nfs/dbraw/zinc/76/21/36/409762136.db2.gz IPHKVIZEXBLLCS-KOLCDFICSA-N 3 2 197.326 0.313 20 0 ACADLP C[N@H+](C[C@@H]1CC[NH2+]C1)CC(C)(C)C[NH3+] 308982587 409762708 /nfs/dbraw/zinc/76/27/08/409762708.db2.gz IRYOQYPUQGUANE-SNVBAGLBSA-N 3 2 199.342 0.513 20 0 ACADLP C[N@@H+](C[C@@H]1CC[NH2+]C1)CC(C)(C)C[NH3+] 308982587 409762714 /nfs/dbraw/zinc/76/27/14/409762714.db2.gz IRYOQYPUQGUANE-SNVBAGLBSA-N 3 2 199.342 0.513 20 0 ACADLP C[C@](C[NH3+])([NH2+]C[C@H]1CC[NH2+]C1)C1CC1 308982272 409763753 /nfs/dbraw/zinc/76/37/53/409763753.db2.gz IPHKVIZEXBLLCS-GXSJLCMTSA-N 3 2 197.326 0.313 20 0 ACADLP C[C@@](C[NH3+])([NH2+]C[C@H]1CC[NH2+]C1)C1CC1 308982277 409763916 /nfs/dbraw/zinc/76/39/16/409763916.db2.gz IPHKVIZEXBLLCS-ONGXEEELSA-N 3 2 197.326 0.313 20 0 ACADLP C[C@](C[NH3+])([NH2+]C[C@@H]1CC[NH2+]C1)C1CC1 308982276 409764386 /nfs/dbraw/zinc/76/43/86/409764386.db2.gz IPHKVIZEXBLLCS-MWLCHTKSSA-N 3 2 197.326 0.313 20 0 ACADLP C[N@H+](C[C@H]1CC[NH2+]C1)CC(C)(C)C[NH3+] 308982586 409764598 /nfs/dbraw/zinc/76/45/98/409764598.db2.gz IRYOQYPUQGUANE-JTQLQIEISA-N 3 2 199.342 0.513 20 0 ACADLP C[N@@H+](C[C@H]1CC[NH2+]C1)CC(C)(C)C[NH3+] 308982586 409764604 /nfs/dbraw/zinc/76/46/04/409764604.db2.gz IRYOQYPUQGUANE-JTQLQIEISA-N 3 2 199.342 0.513 20 0 ACADLP [NH3+]C1(C[NH2+]C[C@@H]2CCC[NH2+]C2)CCC1 309083922 409765835 /nfs/dbraw/zinc/76/58/35/409765835.db2.gz URFYJTMIJSVXRY-SNVBAGLBSA-N 3 2 197.326 0.457 20 0 ACADLP [NH3+]C1(C[NH2+]C[C@H]2CCC[NH2+]C2)CCC1 309083921 409765924 /nfs/dbraw/zinc/76/59/24/409765924.db2.gz URFYJTMIJSVXRY-JTQLQIEISA-N 3 2 197.326 0.457 20 0 ACADLP Cc1cc(C[NH2+]CC2([NH3+])CCC2)on1 309073388 409766239 /nfs/dbraw/zinc/76/62/39/409766239.db2.gz HLKANBMIMCTLHJ-UHFFFAOYSA-N 2 2 195.266 0.954 20 0 ACADLP [NH3+]C[C@H]1CCC[N@@H+]1CCOCC1CC1 309023017 409766330 /nfs/dbraw/zinc/76/63/30/409766330.db2.gz YKSKMKXSFGEISJ-LLVKDONJSA-N 2 2 198.310 0.836 20 0 ACADLP [NH3+]C[C@H]1CCC[N@H+]1CCOCC1CC1 309023017 409766334 /nfs/dbraw/zinc/76/63/34/409766334.db2.gz YKSKMKXSFGEISJ-LLVKDONJSA-N 2 2 198.310 0.836 20 0 ACADLP C[C@H]([NH3+])C[NH2+]C1(C(N)=O)CCCCC1 309021526 409767291 /nfs/dbraw/zinc/76/72/91/409767291.db2.gz XKRGSMHHLRSAGT-QMMMGPOBSA-N 2 2 199.298 0.111 20 0 ACADLP C[C@@H]([NH3+])C[NH2+]C1(C(N)=O)CCCCC1 309021524 409767470 /nfs/dbraw/zinc/76/74/70/409767470.db2.gz XKRGSMHHLRSAGT-MRVPVSSYSA-N 2 2 199.298 0.111 20 0 ACADLP C[NH2+]C[C@H](C)NC(=O)c1c[nH+]c(C)[nH]1 662964240 409767737 /nfs/dbraw/zinc/76/77/37/409767737.db2.gz ASPDJDXRTREBBS-LURJTMIESA-N 2 2 196.254 0.056 20 0 ACADLP C[NH2+]C[C@@H](C)NC(=O)c1c[nH+]c(C)[nH]1 662964241 409767847 /nfs/dbraw/zinc/76/78/47/409767847.db2.gz ASPDJDXRTREBBS-ZCFIWIBFSA-N 2 2 196.254 0.056 20 0 ACADLP Cn1cncc1C[NH2+]CC1([NH3+])CCC1 309336006 409770116 /nfs/dbraw/zinc/77/01/16/409770116.db2.gz AQDZKWDYVLVWLM-UHFFFAOYSA-N 2 2 194.282 0.391 20 0 ACADLP Cn1c[nH+]cc1CNCC1([NH3+])CCC1 309336006 409770125 /nfs/dbraw/zinc/77/01/25/409770125.db2.gz AQDZKWDYVLVWLM-UHFFFAOYSA-N 2 2 194.282 0.391 20 0 ACADLP C[N@H+](Cc1cc[nH]n1)CC(C)(C)C[NH3+] 309144245 409770150 /nfs/dbraw/zinc/77/01/50/409770150.db2.gz UPNFAHDUCSDZQQ-UHFFFAOYSA-N 2 2 196.298 0.826 20 0 ACADLP C[N@@H+](Cc1cc[nH]n1)CC(C)(C)C[NH3+] 309144245 409770156 /nfs/dbraw/zinc/77/01/56/409770156.db2.gz UPNFAHDUCSDZQQ-UHFFFAOYSA-N 2 2 196.298 0.826 20 0 ACADLP C[C@@H](C[NH3+])[N@H+](C)Cc1ccc(N)nc1 309105916 409770665 /nfs/dbraw/zinc/77/06/65/409770665.db2.gz HWPHSSLYYIRKHV-QMMMGPOBSA-N 2 2 194.282 0.443 20 0 ACADLP C[C@@H](C[NH3+])[N@@H+](C)Cc1ccc(N)nc1 309105916 409770674 /nfs/dbraw/zinc/77/06/74/409770674.db2.gz HWPHSSLYYIRKHV-QMMMGPOBSA-N 2 2 194.282 0.443 20 0 ACADLP C[NH2+]CCC[N@@H+]1CCCC[C@H]1CC[NH3+] 309101268 409771149 /nfs/dbraw/zinc/77/11/49/409771149.db2.gz FUTNWQRAARZQSQ-NSHDSACASA-N 3 2 199.342 0.799 20 0 ACADLP C[NH2+]CCC[N@H+]1CCCC[C@H]1CC[NH3+] 309101268 409771155 /nfs/dbraw/zinc/77/11/55/409771155.db2.gz FUTNWQRAARZQSQ-NSHDSACASA-N 3 2 199.342 0.799 20 0 ACADLP C[C@H](C[NH3+])[N@H+](C)Cc1ccc(N)nc1 309105915 409771344 /nfs/dbraw/zinc/77/13/44/409771344.db2.gz HWPHSSLYYIRKHV-MRVPVSSYSA-N 2 2 194.282 0.443 20 0 ACADLP C[C@H](C[NH3+])[N@@H+](C)Cc1ccc(N)nc1 309105915 409771350 /nfs/dbraw/zinc/77/13/50/409771350.db2.gz HWPHSSLYYIRKHV-MRVPVSSYSA-N 2 2 194.282 0.443 20 0 ACADLP C[NH2+]CCC[N@@H+]1CCCC[C@@H]1CC[NH3+] 309101267 409772366 /nfs/dbraw/zinc/77/23/66/409772366.db2.gz FUTNWQRAARZQSQ-LLVKDONJSA-N 3 2 199.342 0.799 20 0 ACADLP C[NH2+]CCC[N@H+]1CCCC[C@@H]1CC[NH3+] 309101267 409772371 /nfs/dbraw/zinc/77/23/71/409772371.db2.gz FUTNWQRAARZQSQ-LLVKDONJSA-N 3 2 199.342 0.799 20 0 ACADLP C[N@@H+](Cc1cn[nH]c1)C[C@H]1CC[NH2+]C1 309613754 409774825 /nfs/dbraw/zinc/77/48/25/409774825.db2.gz DGMZDFCUWGQPEQ-VIFPVBQESA-N 2 2 194.282 0.451 20 0 ACADLP C[N@H+](Cc1cn[nH]c1)C[C@H]1CC[NH2+]C1 309613754 409774832 /nfs/dbraw/zinc/77/48/32/409774832.db2.gz DGMZDFCUWGQPEQ-VIFPVBQESA-N 2 2 194.282 0.451 20 0 ACADLP Cn1cc(C[NH2+]CC2([NH3+])CCC2)cn1 309628143 409775133 /nfs/dbraw/zinc/77/51/33/409775133.db2.gz QQVSUTBZSNLJBU-UHFFFAOYSA-N 2 2 194.282 0.391 20 0 ACADLP C[N@@H+](Cc1cn[nH]c1)C[C@@H]1CC[NH2+]C1 309613753 409775668 /nfs/dbraw/zinc/77/56/68/409775668.db2.gz DGMZDFCUWGQPEQ-SECBINFHSA-N 2 2 194.282 0.451 20 0 ACADLP C[N@H+](Cc1cn[nH]c1)C[C@@H]1CC[NH2+]C1 309613753 409775670 /nfs/dbraw/zinc/77/56/70/409775670.db2.gz DGMZDFCUWGQPEQ-SECBINFHSA-N 2 2 194.282 0.451 20 0 ACADLP C[NH2+]CCC[N@H+](C)C[C@@]12C[NH2+]C[C@@H]1C2 663495834 409782430 /nfs/dbraw/zinc/78/24/30/409782430.db2.gz BFJBVSDHVZLARH-WDEREUQCSA-N 3 2 197.326 0.137 20 0 ACADLP C[NH2+]CCC[N@@H+](C)C[C@@]12C[NH2+]C[C@@H]1C2 663495834 409782439 /nfs/dbraw/zinc/78/24/39/409782439.db2.gz BFJBVSDHVZLARH-WDEREUQCSA-N 3 2 197.326 0.137 20 0 ACADLP C[NH2+]CCC[N@H+](C)C[C@]12C[NH2+]C[C@H]1C2 663495825 409782641 /nfs/dbraw/zinc/78/26/41/409782641.db2.gz BFJBVSDHVZLARH-MNOVXSKESA-N 3 2 197.326 0.137 20 0 ACADLP C[NH2+]CCC[N@@H+](C)C[C@]12C[NH2+]C[C@H]1C2 663495825 409782649 /nfs/dbraw/zinc/78/26/49/409782649.db2.gz BFJBVSDHVZLARH-MNOVXSKESA-N 3 2 197.326 0.137 20 0 ACADLP [NH3+]C1(C[NH2+]C[C@]23C[NH2+]C[C@H]2C3)CCC1 663498344 409784564 /nfs/dbraw/zinc/78/45/64/409784564.db2.gz SCMSDEZCIVBCHH-ZJUUUORDSA-N 3 2 195.310 0.067 20 0 ACADLP [NH3+]C1(C[NH2+]C[C@@]23C[NH2+]C[C@@H]2C3)CCC1 663498333 409785396 /nfs/dbraw/zinc/78/53/96/409785396.db2.gz SCMSDEZCIVBCHH-VHSXEESVSA-N 3 2 195.310 0.067 20 0 ACADLP C[NH2+]C[C@H](C)[NH2+]Cc1ccc(N)nc1 663511532 409787463 /nfs/dbraw/zinc/78/74/63/409787463.db2.gz WVQOATAGYVTOHV-QMMMGPOBSA-N 2 2 194.282 0.361 20 0 ACADLP CCOC[C@@H](C)[NH2+][C@@H](C)C[NH2+]C 663509987 409787470 /nfs/dbraw/zinc/78/74/70/409787470.db2.gz NQWMKEKNUVFEKC-DTWKUNHWSA-N 2 2 174.288 0.609 20 0 ACADLP C[NH2+]C[C@H](C)[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 663512324 409787480 /nfs/dbraw/zinc/78/74/80/409787480.db2.gz GESBFKQUFRTLQI-IVZWLZJFSA-N 3 2 185.315 0.454 20 0 ACADLP C[NH2+]C[C@@H](C)[NH2+]Cc1c(C)n[nH]c1C 663508217 409787524 /nfs/dbraw/zinc/78/75/24/409787524.db2.gz NLABVUQNZHYGOY-SSDOTTSWSA-N 2 2 196.298 0.724 20 0 ACADLP CCOC[C@@H](C)[NH2+][C@H](C)C[NH2+]C 663510011 409787556 /nfs/dbraw/zinc/78/75/56/409787556.db2.gz NQWMKEKNUVFEKC-RKDXNWHRSA-N 2 2 174.288 0.609 20 0 ACADLP C[NH2+]C[C@H](C)[NH2+][C@@H]1CCC[C@H]([NH3+])C1 663512328 409787574 /nfs/dbraw/zinc/78/75/74/409787574.db2.gz GESBFKQUFRTLQI-LPEHRKFASA-N 3 2 185.315 0.454 20 0 ACADLP C[NH2+]C[C@@H](C)[NH2+][C@H]1CCC[NH2+]CC1 663513183 409787834 /nfs/dbraw/zinc/78/78/34/409787834.db2.gz JHEUOGMPRRYPGP-ZJUUUORDSA-N 3 2 185.315 0.326 20 0 ACADLP CCOC[C@H](C)[NH2+][C@@H](C)C[NH2+]C 663510010 409788023 /nfs/dbraw/zinc/78/80/23/409788023.db2.gz NQWMKEKNUVFEKC-IUCAKERBSA-N 2 2 174.288 0.609 20 0 ACADLP CCn1cc(C[NH2+][C@H](C)C[NH2+]C)cn1 663509033 409788249 /nfs/dbraw/zinc/78/82/49/409788249.db2.gz UTOWTKONWNVYOL-SECBINFHSA-N 2 2 196.298 0.601 20 0 ACADLP C[NH2+]C[C@H](C)[NH2+]Cc1c(C)n[nH]c1C 663508218 409788380 /nfs/dbraw/zinc/78/83/80/409788380.db2.gz NLABVUQNZHYGOY-ZETCQYMHSA-N 2 2 196.298 0.724 20 0 ACADLP C[NH2+]C[C@H](C)[NH2+][C@H]1CCC[C@@H]([NH3+])C1 663512318 409788530 /nfs/dbraw/zinc/78/85/30/409788530.db2.gz GESBFKQUFRTLQI-AEJSXWLSSA-N 3 2 185.315 0.454 20 0 ACADLP C[NH2+]C[C@@H](C)[NH2+]Cc1ccc(N)nc1 663511530 409788660 /nfs/dbraw/zinc/78/86/60/409788660.db2.gz WVQOATAGYVTOHV-MRVPVSSYSA-N 2 2 194.282 0.361 20 0 ACADLP C[NH2+]C[C@H](C)[NH2+][C@@H]1CCO[C@H]1C 663511653 409789200 /nfs/dbraw/zinc/78/92/00/409789200.db2.gz XWGWXNQMSMALHH-XHNCKOQMSA-N 2 2 172.272 0.361 20 0 ACADLP CCn1cc[nH+]c1CN[C@@H](C)C[NH2+]C 663508674 409789328 /nfs/dbraw/zinc/78/93/28/409789328.db2.gz RVBMTIPYEOPNCX-VIFPVBQESA-N 2 2 196.298 0.601 20 0 ACADLP C[NH2+]C[C@@H](C)[NH2+][C@@H]1CCC[NH2+]CC1 663513179 409789343 /nfs/dbraw/zinc/78/93/43/409789343.db2.gz JHEUOGMPRRYPGP-NXEZZACHSA-N 3 2 185.315 0.326 20 0 ACADLP CCn1nccc1C[NH2+]CC(C)(C)[NH3+] 663510295 409789504 /nfs/dbraw/zinc/78/95/04/409789504.db2.gz DAXBWTLRDUZVID-UHFFFAOYSA-N 2 2 196.298 0.730 20 0 ACADLP CCOC[C@H](C)[NH2+][C@H](C)C[NH2+]C 663509986 409789779 /nfs/dbraw/zinc/78/97/79/409789779.db2.gz NQWMKEKNUVFEKC-BDAKNGLRSA-N 2 2 174.288 0.609 20 0 ACADLP C[NH2+]C[C@H](C)[NH2+][C@H]1CCC[NH2+]CC1 663513180 409790086 /nfs/dbraw/zinc/79/00/86/409790086.db2.gz JHEUOGMPRRYPGP-UWVGGRQHSA-N 3 2 185.315 0.326 20 0 ACADLP C[NH2+]C[C@H](C)[NH2+][C@@H]1CCC[NH2+]CC1 663513181 409790104 /nfs/dbraw/zinc/79/01/04/409790104.db2.gz JHEUOGMPRRYPGP-VHSXEESVSA-N 3 2 185.315 0.326 20 0 ACADLP CCn1cc(C[NH2+][C@@H](C)C[NH2+]C)cn1 663509034 409790143 /nfs/dbraw/zinc/79/01/43/409790143.db2.gz UTOWTKONWNVYOL-VIFPVBQESA-N 2 2 196.298 0.601 20 0 ACADLP C[NH2+]C[C@H](C)[NH2+][C@@H]1CCO[C@@H]1C 663511651 409790317 /nfs/dbraw/zinc/79/03/17/409790317.db2.gz XWGWXNQMSMALHH-DJLDLDEBSA-N 2 2 172.272 0.361 20 0 ACADLP CCn1cc[nH+]c1CN[C@H](C)C[NH2+]C 663508673 409790377 /nfs/dbraw/zinc/79/03/77/409790377.db2.gz RVBMTIPYEOPNCX-SECBINFHSA-N 2 2 196.298 0.601 20 0 ACADLP C[NH2+]C[C@H](C)[NH2+][C@H]1CCC[C@H]([NH3+])C1 663512321 409790637 /nfs/dbraw/zinc/79/06/37/409790637.db2.gz GESBFKQUFRTLQI-GUBZILKMSA-N 3 2 185.315 0.454 20 0 ACADLP C[NH2+]C[C@H](C)[NH2+][C@H]1CCO[C@@H]1C 663511656 409790889 /nfs/dbraw/zinc/79/08/89/409790889.db2.gz XWGWXNQMSMALHH-YIZRAAEISA-N 2 2 172.272 0.361 20 0 ACADLP C[NH2+]C[C@H](C)[NH2+][C@H]1CCO[C@H]1C 663511648 409791098 /nfs/dbraw/zinc/79/10/98/409791098.db2.gz XWGWXNQMSMALHH-CIUDSAMLSA-N 2 2 172.272 0.361 20 0 ACADLP C[NH2+]C[C@H](C)[NH2+][C@@H](C)Cn1cccn1 663514200 409791982 /nfs/dbraw/zinc/79/19/82/409791982.db2.gz OVXCDZOLXWXTIH-UWVGGRQHSA-N 2 2 196.298 0.469 20 0 ACADLP C[NH2+]C[C@@H](C)[NH2+][C@H](C)Cn1cccn1 663514199 409792443 /nfs/dbraw/zinc/79/24/43/409792443.db2.gz OVXCDZOLXWXTIH-NXEZZACHSA-N 2 2 196.298 0.469 20 0 ACADLP C[NH2+]C[C@@H](C)[NH2+][C@@H](C)Cn1cccn1 663514202 409792474 /nfs/dbraw/zinc/79/24/74/409792474.db2.gz OVXCDZOLXWXTIH-ZJUUUORDSA-N 2 2 196.298 0.469 20 0 ACADLP C[NH2+]C[C@H](C)[NH2+][C@H](C)Cn1cccn1 663514201 409792495 /nfs/dbraw/zinc/79/24/95/409792495.db2.gz OVXCDZOLXWXTIH-VHSXEESVSA-N 2 2 196.298 0.469 20 0 ACADLP CC[C@H](COC)[NH2+][C@@H](C)C[NH2+]C 663514204 409792535 /nfs/dbraw/zinc/79/25/35/409792535.db2.gz OXUWZMHQRCLRLT-DTWKUNHWSA-N 2 2 174.288 0.609 20 0 ACADLP CC[C@H](COC)[NH2+][C@H](C)C[NH2+]C 663514206 409793224 /nfs/dbraw/zinc/79/32/24/409793224.db2.gz OXUWZMHQRCLRLT-RKDXNWHRSA-N 2 2 174.288 0.609 20 0 ACADLP CC[C@@H](COC)[NH2+][C@H](C)C[NH2+]C 663514203 409793561 /nfs/dbraw/zinc/79/35/61/409793561.db2.gz OXUWZMHQRCLRLT-BDAKNGLRSA-N 2 2 174.288 0.609 20 0 ACADLP CC[C@@H](COC)[NH2+][C@@H](C)C[NH2+]C 663514205 409793757 /nfs/dbraw/zinc/79/37/57/409793757.db2.gz OXUWZMHQRCLRLT-IUCAKERBSA-N 2 2 174.288 0.609 20 0 ACADLP C[C@@H]1COCC[N@H+]1CCn1cc[nH+]c1 336183792 409794675 /nfs/dbraw/zinc/79/46/75/409794675.db2.gz VBYWKLVQLFHOTL-SNVBAGLBSA-N 2 2 195.266 0.604 20 0 ACADLP C[C@@H]1COCC[N@@H+]1CCn1cc[nH+]c1 336183792 409794669 /nfs/dbraw/zinc/79/46/69/409794669.db2.gz VBYWKLVQLFHOTL-SNVBAGLBSA-N 2 2 195.266 0.604 20 0 ACADLP C[NH+](C)CCN[C@H]1CCn2cc[nH+]c21 379098673 409819638 /nfs/dbraw/zinc/81/96/38/409819638.db2.gz NWWQLGVFLIDXNS-VIFPVBQESA-N 2 2 194.282 0.479 20 0 ACADLP C[NH+](C)CCN[C@@H]1CCn2cc[nH+]c21 379098672 409819765 /nfs/dbraw/zinc/81/97/65/409819765.db2.gz NWWQLGVFLIDXNS-SECBINFHSA-N 2 2 194.282 0.479 20 0 ACADLP [NH3+]C[C@H]1CCC[N@@H+]1CCc1cn[nH]c1 379543082 409849168 /nfs/dbraw/zinc/84/91/68/409849168.db2.gz RZHZEWZGDOGCGV-SNVBAGLBSA-N 2 2 194.282 0.375 20 0 ACADLP [NH3+]C[C@H]1CCC[N@H+]1CCc1cn[nH]c1 379543082 409849175 /nfs/dbraw/zinc/84/91/75/409849175.db2.gz RZHZEWZGDOGCGV-SNVBAGLBSA-N 2 2 194.282 0.375 20 0 ACADLP CC(C)C[C@H]([NH3+])c1nc(C[NH3+])no1 379568904 409850637 /nfs/dbraw/zinc/85/06/37/409850637.db2.gz ACFSGWNNKFKYIP-LURJTMIESA-N 2 2 184.243 0.574 20 0 ACADLP c1c[nH+]c(COCC[C@H]2CC[NH2+]C2)[nH]1 379579526 409852918 /nfs/dbraw/zinc/85/29/18/409852918.db2.gz WTRWOKMXWIVBBB-SECBINFHSA-N 2 2 195.266 0.926 20 0 ACADLP [NH3+]C1(C[NH2+]Cc2ccno2)CCC1 379581795 409852962 /nfs/dbraw/zinc/85/29/62/409852962.db2.gz LCXFEBIMIRZZNL-UHFFFAOYSA-N 2 2 181.239 0.646 20 0 ACADLP c1c[nH+]c(COCC[C@@H]2CC[NH2+]C2)[nH]1 379579527 409853541 /nfs/dbraw/zinc/85/35/41/409853541.db2.gz WTRWOKMXWIVBBB-VIFPVBQESA-N 2 2 195.266 0.926 20 0 ACADLP C[NH2+]CCC[N@@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 379618653 409855120 /nfs/dbraw/zinc/85/51/20/409855120.db2.gz BUBHWGLBTDDALL-VHSXEESVSA-N 2 2 185.315 0.265 20 0 ACADLP C[NH2+]CCC[N@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 379618653 409855126 /nfs/dbraw/zinc/85/51/26/409855126.db2.gz BUBHWGLBTDDALL-VHSXEESVSA-N 3 2 185.315 0.265 20 0 ACADLP CCC[C@@](C)([NH3+])c1nc(C[NH3+])no1 379617483 409855137 /nfs/dbraw/zinc/85/51/37/409855137.db2.gz AOQGLVWIHHRTON-MRVPVSSYSA-N 2 2 184.243 0.502 20 0 ACADLP C[NH2+]CCC[N@@H+]1CC[C@H]([NH3+])[C@@H](C)C1 379618652 409855282 /nfs/dbraw/zinc/85/52/82/409855282.db2.gz BUBHWGLBTDDALL-UWVGGRQHSA-N 2 2 185.315 0.265 20 0 ACADLP C[NH2+]CCC[N@H+]1CC[C@H]([NH3+])[C@@H](C)C1 379618652 409855288 /nfs/dbraw/zinc/85/52/88/409855288.db2.gz BUBHWGLBTDDALL-UWVGGRQHSA-N 3 2 185.315 0.265 20 0 ACADLP C[C@@H]([NH2+]C/C=C\CO)[C@@H]1CCC[NH2+]1 665239495 409855416 /nfs/dbraw/zinc/85/54/16/409855416.db2.gz UXTTWKZDZONQAD-LTFJCZIQSA-N 2 2 184.283 0.265 20 0 ACADLP C[C@H]([NH2+]C/C=C/CO)[C@H]1CCCC[NH2+]1 665238757 409855489 /nfs/dbraw/zinc/85/54/89/409855489.db2.gz CZDIVWRLMIKQCV-BXXZLRJFSA-N 2 2 198.310 0.655 20 0 ACADLP CC[C@@H]([NH2+]C/C=C\CO)[C@@H]1CCC[NH2+]1 665239665 409855604 /nfs/dbraw/zinc/85/56/04/409855604.db2.gz WZDJFNVISRKYQD-CJOPTALJSA-N 2 2 198.310 0.655 20 0 ACADLP C[C@H]([NH2+]C/C=C\CO)[C@H]1CCCC[NH2+]1 665238760 409855633 /nfs/dbraw/zinc/85/56/33/409855633.db2.gz CZDIVWRLMIKQCV-NRFYAWERSA-N 2 2 198.310 0.655 20 0 ACADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CC[NH2+]C2)[C@@H](C)O1 665241743 409855645 /nfs/dbraw/zinc/85/56/45/409855645.db2.gz XWZCEWYJRJTLGZ-DOLQZWNJSA-N 2 2 184.283 0.504 20 0 ACADLP C[C@@H]([NH2+]C/C=C/CO)[C@H]1CCC[NH2+]1 665239492 409855676 /nfs/dbraw/zinc/85/56/76/409855676.db2.gz UXTTWKZDZONQAD-HLKOZVMDSA-N 2 2 184.283 0.265 20 0 ACADLP C[C@@H](N[C@H]1CC[NH2+]C1)c1[nH+]ccn1C 665242879 409856007 /nfs/dbraw/zinc/85/60/07/409856007.db2.gz NNDGKLRGIQDTLH-BDAKNGLRSA-N 2 2 194.282 0.433 20 0 ACADLP C[C@@H]([NH2+]C/C=C/CO)[C@@H]1CCCC[NH2+]1 665238764 409856028 /nfs/dbraw/zinc/85/60/28/409856028.db2.gz CZDIVWRLMIKQCV-ZJRFNNFUSA-N 2 2 198.310 0.655 20 0 ACADLP C[NH2+]CCC[N@@H+]1CC[C@@H]([NH3+])[C@H](C)C1 379618651 409856100 /nfs/dbraw/zinc/85/61/00/409856100.db2.gz BUBHWGLBTDDALL-NXEZZACHSA-N 2 2 185.315 0.265 20 0 ACADLP C[NH2+]CCC[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 379618651 409856106 /nfs/dbraw/zinc/85/61/06/409856106.db2.gz BUBHWGLBTDDALL-NXEZZACHSA-N 3 2 185.315 0.265 20 0 ACADLP C[C@@H]([NH2+][C@H]1CC[NH2+]C1)[C@H]1CCCO1 665242226 409856176 /nfs/dbraw/zinc/85/61/76/409856176.db2.gz PAPDMQDKZMLFKE-KXUCPTDWSA-N 2 2 184.283 0.505 20 0 ACADLP CCC[C@](C)([NH3+])c1nc(C[NH3+])no1 379617495 409856407 /nfs/dbraw/zinc/85/64/07/409856407.db2.gz AOQGLVWIHHRTON-QMMMGPOBSA-N 2 2 184.243 0.502 20 0 ACADLP CC[C@H]([NH2+]C/C=C/CO)[C@@H]1CCC[NH2+]1 665239666 409856481 /nfs/dbraw/zinc/85/64/81/409856481.db2.gz WZDJFNVISRKYQD-SEUFLZDSSA-N 2 2 198.310 0.655 20 0 ACADLP c1cn2c([nH+]1)[C@H](N[C@H]1CC[NH2+]C1)CC2 665241535 409856604 /nfs/dbraw/zinc/85/66/04/409856604.db2.gz PUCCQXVTJXWPPG-DTWKUNHWSA-N 2 2 192.266 0.279 20 0 ACADLP C[C@@H]([NH2+]C/C=C\CO)[C@@H]1CCCC[NH2+]1 665238758 409856624 /nfs/dbraw/zinc/85/66/24/409856624.db2.gz CZDIVWRLMIKQCV-KWKBKKAHSA-N 2 2 198.310 0.655 20 0 ACADLP C[C@@H]1O[C@H](C)C[C@H]1[NH2+][C@H]1CC[NH2+]C1 665241744 409856743 /nfs/dbraw/zinc/85/67/43/409856743.db2.gz XWZCEWYJRJTLGZ-XFWSIPNHSA-N 2 2 184.283 0.504 20 0 ACADLP C[C@H]([NH2+]C/C=C/CO)[C@H]1CCC[NH2+]1 665239496 409856792 /nfs/dbraw/zinc/85/67/92/409856792.db2.gz UXTTWKZDZONQAD-MDCNRGEUSA-N 2 2 184.283 0.265 20 0 ACADLP C[C@@H]([NH3+])C[C@@H](C)[NH2+][C@H]1CC[NH2+]C1 665241515 409856873 /nfs/dbraw/zinc/85/68/73/409856873.db2.gz PCEJOPWPMYDXLK-HLTSFMKQSA-N 3 2 171.288 0.064 20 0 ACADLP C[C@@H]([NH2+]C/C=C\CO)[C@H]1CCC[NH2+]1 665239493 409856885 /nfs/dbraw/zinc/85/68/85/409856885.db2.gz UXTTWKZDZONQAD-JAFKPYBISA-N 2 2 184.283 0.265 20 0 ACADLP C[C@@H]([NH2+]C/C=C/CO)[C@@H]1CCC[NH2+]1 665239576 409857119 /nfs/dbraw/zinc/85/71/19/409857119.db2.gz UXTTWKZDZONQAD-NBYFHADBSA-N 2 2 184.283 0.265 20 0 ACADLP C[C@@H]([NH2+]C/C=C/CO)[C@H]1CCCC[NH2+]1 665238762 409857178 /nfs/dbraw/zinc/85/71/78/409857178.db2.gz CZDIVWRLMIKQCV-XKFHPXPTSA-N 2 2 198.310 0.655 20 0 ACADLP CC[C@H]([NH2+]C/C=C\CO)[C@@H]1CCC[NH2+]1 665239667 409857197 /nfs/dbraw/zinc/85/71/97/409857197.db2.gz WZDJFNVISRKYQD-WZQADMAKSA-N 2 2 198.310 0.655 20 0 ACADLP C[NH2+]CCC[N@@H+]1CC[C@H]([NH3+])[C@H](C)C1 379618654 409857231 /nfs/dbraw/zinc/85/72/31/409857231.db2.gz BUBHWGLBTDDALL-ZJUUUORDSA-N 2 2 185.315 0.265 20 0 ACADLP C[NH2+]CCC[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 379618654 409857237 /nfs/dbraw/zinc/85/72/37/409857237.db2.gz BUBHWGLBTDDALL-ZJUUUORDSA-N 3 2 185.315 0.265 20 0 ACADLP C[C@H]([NH2+]C/C=C\CO)[C@@H]1CCC[NH2+]1 665239487 409857322 /nfs/dbraw/zinc/85/73/22/409857322.db2.gz UXTTWKZDZONQAD-ADLDAWLNSA-N 2 2 184.283 0.265 20 0 ACADLP C[C@@H](C[C@@H](C)[NH3+])[NH2+][C@H]1CC[NH2+]C1 665241516 409857998 /nfs/dbraw/zinc/85/79/98/409857998.db2.gz PCEJOPWPMYDXLK-VGMNWLOBSA-N 3 2 171.288 0.064 20 0 ACADLP C[C@H](N[C@H]1CC[NH2+]C1)c1[nH+]ccn1C 665242880 409858113 /nfs/dbraw/zinc/85/81/13/409858113.db2.gz NNDGKLRGIQDTLH-IUCAKERBSA-N 2 2 194.282 0.433 20 0 ACADLP C[C@H]([NH2+]C/C=C\CO)[C@H]1CCC[NH2+]1 665239577 409858171 /nfs/dbraw/zinc/85/81/71/409858171.db2.gz UXTTWKZDZONQAD-YLBDSCSXSA-N 2 2 184.283 0.265 20 0 ACADLP CC[C@@H]([NH2+]C/C=C/CO)[C@@H]1CCC[NH2+]1 665239668 409858454 /nfs/dbraw/zinc/85/84/54/409858454.db2.gz WZDJFNVISRKYQD-YHROSDCASA-N 2 2 198.310 0.655 20 0 ACADLP C[C@H]([NH2+]C/C=C/CO)[C@@H]1CCCC[NH2+]1 665238759 409858482 /nfs/dbraw/zinc/85/84/82/409858482.db2.gz CZDIVWRLMIKQCV-NNOMMRTBSA-N 2 2 198.310 0.655 20 0 ACADLP C[C@H]([NH2+]C/C=C\CO)[C@@H]1CCCC[NH2+]1 665238763 409858509 /nfs/dbraw/zinc/85/85/09/409858509.db2.gz CZDIVWRLMIKQCV-XXJOZFEBSA-N 2 2 198.310 0.655 20 0 ACADLP C[C@H]([NH2+]C/C=C/CO)[C@@H]1CCC[NH2+]1 665239490 409858556 /nfs/dbraw/zinc/85/85/56/409858556.db2.gz UXTTWKZDZONQAD-AQHVTNBVSA-N 2 2 184.283 0.265 20 0 ACADLP c1cn2c([nH+]1)[C@@H](N[C@H]1CC[NH2+]C1)CC2 665241536 409858702 /nfs/dbraw/zinc/85/87/02/409858702.db2.gz PUCCQXVTJXWPPG-IUCAKERBSA-N 2 2 192.266 0.279 20 0 ACADLP C[C@@H]([NH2+]C/C=C\CO)[C@H]1CCCC[NH2+]1 665238761 409858826 /nfs/dbraw/zinc/85/88/26/409858826.db2.gz CZDIVWRLMIKQCV-WQMVXFAESA-N 2 2 198.310 0.655 20 0 ACADLP C[C@H](C[NH2+]Cc1cc[nH]n1)C[NH+](C)C 379631353 409859342 /nfs/dbraw/zinc/85/93/42/409859342.db2.gz NXPKEJLTNRBWRZ-SECBINFHSA-N 2 2 196.298 0.697 20 0 ACADLP [NH3+][C@H]1CCC[C@@H]1[NH2+]CC1([NH3+])CCCC1 665246816 409859457 /nfs/dbraw/zinc/85/94/57/409859457.db2.gz OTMNMDRORKQKBA-UWVGGRQHSA-N 3 2 197.326 0.727 20 0 ACADLP C[C@H]([NH3+])C[C@@H](C)[NH2+]CC1([NH3+])CCCC1 665246671 409859445 /nfs/dbraw/zinc/85/94/45/409859445.db2.gz KYEHJNYPYMGXCK-VHSXEESVSA-N 3 2 199.342 0.973 20 0 ACADLP C[C@@H]([NH2+]CC1([NH3+])CCCC1)C1C[NH2+]C1 665246639 409859915 /nfs/dbraw/zinc/85/99/15/409859915.db2.gz KFGJAJNIUGRKAD-SECBINFHSA-N 3 2 197.326 0.455 20 0 ACADLP CC[C@@H](O)C[NH2+][C@@H]1C[NH2+]CC[C@H]1C 665262286 409859944 /nfs/dbraw/zinc/85/99/44/409859944.db2.gz XXAITYXISZGDRM-OPRDCNLKSA-N 2 2 186.299 0.345 20 0 ACADLP CO[C@@H](C)C[NH2+][C@H]1C[NH2+]CC[C@H]1C 665244627 409860071 /nfs/dbraw/zinc/86/00/71/409860071.db2.gz RZEYOTPKMILXFV-UTLUCORTSA-N 2 2 186.299 0.609 20 0 ACADLP CO[C@@H](C)[C@@H](C)[NH2+][C@H]1CC[NH2+]C1 665243825 409860327 /nfs/dbraw/zinc/86/03/27/409860327.db2.gz ZKMVZVLHCQUIKQ-VGMNWLOBSA-N 2 2 172.272 0.361 20 0 ACADLP C[C@H]([NH2+]CC1([NH3+])CCCC1)C1C[NH2+]C1 665246640 409860766 /nfs/dbraw/zinc/86/07/66/409860766.db2.gz KFGJAJNIUGRKAD-VIFPVBQESA-N 3 2 197.326 0.455 20 0 ACADLP CO[C@H](C)[C@H](C)[NH2+][C@H]1CC[NH2+]C1 665243826 409860956 /nfs/dbraw/zinc/86/09/56/409860956.db2.gz ZKMVZVLHCQUIKQ-YIZRAAEISA-N 2 2 172.272 0.361 20 0 ACADLP C[C@@H](C[NH2+]Cc1cc[nH]n1)C[NH+](C)C 379631356 409861017 /nfs/dbraw/zinc/86/10/17/409861017.db2.gz NXPKEJLTNRBWRZ-VIFPVBQESA-N 2 2 196.298 0.697 20 0 ACADLP CC[C@@H](O)C[NH2+][C@@H]1C[NH2+]CC[C@@H]1C 665262285 409861027 /nfs/dbraw/zinc/86/10/27/409861027.db2.gz XXAITYXISZGDRM-IVZWLZJFSA-N 2 2 186.299 0.345 20 0 ACADLP C[C@@H]([NH3+])C[C@@H](C)[NH2+]CC1([NH3+])CCCC1 665246669 409861187 /nfs/dbraw/zinc/86/11/87/409861187.db2.gz KYEHJNYPYMGXCK-NXEZZACHSA-N 3 2 199.342 0.973 20 0 ACADLP CC[C@@H](O)C[NH2+][C@H]1C[NH2+]CC[C@@H]1C 665262283 409861448 /nfs/dbraw/zinc/86/14/48/409861448.db2.gz XXAITYXISZGDRM-AEJSXWLSSA-N 2 2 186.299 0.345 20 0 ACADLP CO[C@H](C)[C@@H](C)[NH2+][C@H]1CC[NH2+]C1 665243824 409861557 /nfs/dbraw/zinc/86/15/57/409861557.db2.gz ZKMVZVLHCQUIKQ-HLTSFMKQSA-N 2 2 172.272 0.361 20 0 ACADLP CO[C@@H](C)[C@H](C)[NH2+][C@H]1CC[NH2+]C1 665243823 409861645 /nfs/dbraw/zinc/86/16/45/409861645.db2.gz ZKMVZVLHCQUIKQ-CIUDSAMLSA-N 2 2 172.272 0.361 20 0 ACADLP C[C@@H](C[C@@H](C)[NH3+])[NH2+]CC1([NH3+])CCCC1 665246672 409861841 /nfs/dbraw/zinc/86/18/41/409861841.db2.gz KYEHJNYPYMGXCK-ZJUUUORDSA-N 3 2 199.342 0.973 20 0 ACADLP [NH3+][C@H]1CCC[C@H]1[NH2+]CC1([NH3+])CCCC1 665246817 409861949 /nfs/dbraw/zinc/86/19/49/409861949.db2.gz OTMNMDRORKQKBA-VHSXEESVSA-N 3 2 197.326 0.727 20 0 ACADLP CC[C@@H](O)C[NH2+][C@H]1C[NH2+]CC[C@H]1C 665262284 409862253 /nfs/dbraw/zinc/86/22/53/409862253.db2.gz XXAITYXISZGDRM-BBBLOLIVSA-N 2 2 186.299 0.345 20 0 ACADLP CO[C@@H](C)C[NH2+][C@H]1C[NH2+]CC[C@@H]1C 665244624 409862293 /nfs/dbraw/zinc/86/22/93/409862293.db2.gz RZEYOTPKMILXFV-GUBZILKMSA-N 2 2 186.299 0.609 20 0 ACADLP [NH3+][C@@H]1CCC[C@H]1[NH2+]CC1([NH3+])CCCC1 665246815 409863029 /nfs/dbraw/zinc/86/30/29/409863029.db2.gz OTMNMDRORKQKBA-NXEZZACHSA-N 3 2 197.326 0.727 20 0 ACADLP [NH3+]C1(C[NH2+]C[C@H]2CC[NH2+]C2)CCC1 379654294 409862625 /nfs/dbraw/zinc/86/26/25/409862625.db2.gz IUCQAHDBZYYJHF-VIFPVBQESA-N 3 2 183.299 0.067 20 0 ACADLP [NH3+][C@@H]1CCC[C@@H]1[NH2+]CC1([NH3+])CCCC1 665246818 409862708 /nfs/dbraw/zinc/86/27/08/409862708.db2.gz OTMNMDRORKQKBA-ZJUUUORDSA-N 3 2 197.326 0.727 20 0 ACADLP [NH3+]C1(C[NH2+]C[C@@H]2CC[NH2+]C2)CCC1 379654291 409862959 /nfs/dbraw/zinc/86/29/59/409862959.db2.gz IUCQAHDBZYYJHF-SECBINFHSA-N 3 2 183.299 0.067 20 0 ACADLP CO[C@@H](C)C[NH2+][C@@H]1C[NH2+]CC[C@H]1C 665244625 409863041 /nfs/dbraw/zinc/86/30/41/409863041.db2.gz RZEYOTPKMILXFV-KXUCPTDWSA-N 2 2 186.299 0.609 20 0 ACADLP C[C@H]([NH3+])C[C@H](C)[NH2+]CC1([NH3+])CCCC1 665246670 409863123 /nfs/dbraw/zinc/86/31/23/409863123.db2.gz KYEHJNYPYMGXCK-UWVGGRQHSA-N 3 2 199.342 0.973 20 0 ACADLP CO[C@@H](C)C[NH2+][C@@H]1C[NH2+]CC[C@@H]1C 665244626 409863150 /nfs/dbraw/zinc/86/31/50/409863150.db2.gz RZEYOTPKMILXFV-LPEHRKFASA-N 2 2 186.299 0.609 20 0 ACADLP CCC[N@H+](C)Cc1nc(C[NH3+])no1 379658584 409863479 /nfs/dbraw/zinc/86/34/79/409863479.db2.gz NOYRCVSZPOHXGO-UHFFFAOYSA-N 2 2 184.243 0.370 20 0 ACADLP CCC[N@@H+](C)Cc1nc(C[NH3+])no1 379658584 409863484 /nfs/dbraw/zinc/86/34/84/409863484.db2.gz NOYRCVSZPOHXGO-UHFFFAOYSA-N 2 2 184.243 0.370 20 0 ACADLP C[NH2+]CCC[NH2+][C@](C)(C[NH3+])C1CC1 379650535 409863599 /nfs/dbraw/zinc/86/35/99/409863599.db2.gz FCFPJHAZLHMLJO-SNVBAGLBSA-N 3 2 185.315 0.313 20 0 ACADLP C[C@H](C[NH3+])[N@H+](C)CCOCC(F)F 379663427 409863722 /nfs/dbraw/zinc/86/37/22/409863722.db2.gz SRHAHRGCJFFJCW-SSDOTTSWSA-N 2 2 196.241 0.547 20 0 ACADLP C[C@H](C[NH3+])[N@@H+](C)CCOCC(F)F 379663427 409863728 /nfs/dbraw/zinc/86/37/28/409863728.db2.gz SRHAHRGCJFFJCW-SSDOTTSWSA-N 2 2 196.241 0.547 20 0 ACADLP C[NH2+]CCC[NH2+][C@@](C)(C[NH3+])C1CC1 379650534 409864009 /nfs/dbraw/zinc/86/40/09/409864009.db2.gz FCFPJHAZLHMLJO-JTQLQIEISA-N 3 2 185.315 0.313 20 0 ACADLP C[C@@H](C[NH3+])[N@H+](C)CCOCC(F)F 379663428 409864179 /nfs/dbraw/zinc/86/41/79/409864179.db2.gz SRHAHRGCJFFJCW-ZETCQYMHSA-N 2 2 196.241 0.547 20 0 ACADLP C[C@@H](C[NH3+])[N@@H+](C)CCOCC(F)F 379663428 409864188 /nfs/dbraw/zinc/86/41/88/409864188.db2.gz SRHAHRGCJFFJCW-ZETCQYMHSA-N 2 2 196.241 0.547 20 0 ACADLP CC(C)[C@](C)(C[NH3+])[NH2+]C[C@@H]1CC[NH2+]C1 379817623 409865624 /nfs/dbraw/zinc/86/56/24/409865624.db2.gz SAICUCUYEKURRX-MNOVXSKESA-N 3 2 199.342 0.559 20 0 ACADLP CC(C)[C@](C)(C[NH3+])[NH2+]C[C@H]1CC[NH2+]C1 379817624 409867159 /nfs/dbraw/zinc/86/71/59/409867159.db2.gz SAICUCUYEKURRX-QWRGUYRKSA-N 3 2 199.342 0.559 20 0 ACADLP CC(C)[C@@](C)(C[NH3+])[NH2+]C[C@H]1CC[NH2+]C1 379817630 409867240 /nfs/dbraw/zinc/86/72/40/409867240.db2.gz SAICUCUYEKURRX-WDEREUQCSA-N 3 2 199.342 0.559 20 0 ACADLP CC(C)[C@@](C)(C[NH3+])[NH2+]C[C@@H]1CC[NH2+]C1 379817614 409867690 /nfs/dbraw/zinc/86/76/90/409867690.db2.gz SAICUCUYEKURRX-GHMZBOCLSA-N 3 2 199.342 0.559 20 0 ACADLP C[NH2+]CCC[N@@H+]1CCC[C@H](C[NH2+]C)C1 380020704 409870516 /nfs/dbraw/zinc/87/05/16/409870516.db2.gz WHMDFZLEWUAGSL-LLVKDONJSA-N 3 2 199.342 0.527 20 0 ACADLP C[NH2+]CCC[N@H+]1CCC[C@H](C[NH2+]C)C1 380020704 409870522 /nfs/dbraw/zinc/87/05/22/409870522.db2.gz WHMDFZLEWUAGSL-LLVKDONJSA-N 3 2 199.342 0.527 20 0 ACADLP C[NH2+]CCC[N@@H+]1CCC[C@@H](C[NH2+]C)C1 380020705 409870906 /nfs/dbraw/zinc/87/09/06/409870906.db2.gz WHMDFZLEWUAGSL-NSHDSACASA-N 3 2 199.342 0.527 20 0 ACADLP C[NH2+]CCC[N@H+]1CCC[C@@H](C[NH2+]C)C1 380020705 409870911 /nfs/dbraw/zinc/87/09/11/409870911.db2.gz WHMDFZLEWUAGSL-NSHDSACASA-N 3 2 199.342 0.527 20 0 ACADLP C[NH2+]C[C@H](C)[NH2+][C@@H](C)c1c[nH]nc1C 665296376 409871374 /nfs/dbraw/zinc/87/13/74/409871374.db2.gz RXAIYMCMEQAZLC-YUMQZZPRSA-N 2 2 196.298 0.977 20 0 ACADLP C[NH2+]C[C@H](C)[NH2+][C@@H](C)[C@H](C)OC 665295348 409871630 /nfs/dbraw/zinc/87/16/30/409871630.db2.gz CGIQREUREWGSNY-CIUDSAMLSA-N 2 2 174.288 0.607 20 0 ACADLP C[NH2+]CCC[N@@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 380089535 409871695 /nfs/dbraw/zinc/87/16/95/409871695.db2.gz ILLBLUNGYMJVKZ-MNOVXSKESA-N 3 2 199.342 0.655 20 0 ACADLP C[NH2+]CCC[N@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 380089535 409871700 /nfs/dbraw/zinc/87/17/00/409871700.db2.gz ILLBLUNGYMJVKZ-MNOVXSKESA-N 3 2 199.342 0.655 20 0 ACADLP C[NH2+]C[C@H](C)[NH2+][C@H](C)[C@H](C)OC 665295351 409871720 /nfs/dbraw/zinc/87/17/20/409871720.db2.gz CGIQREUREWGSNY-YIZRAAEISA-N 2 2 174.288 0.607 20 0 ACADLP C[NH2+]C[C@H](C)N[C@H](C)c1[nH+]ccn1C 665295983 409871774 /nfs/dbraw/zinc/87/17/74/409871774.db2.gz LHBOBEHNVNJYQA-DTWKUNHWSA-N 2 2 196.298 0.679 20 0 ACADLP C[NH2+]CCC[N@@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 380089534 409871918 /nfs/dbraw/zinc/87/19/18/409871918.db2.gz ILLBLUNGYMJVKZ-GHMZBOCLSA-N 3 2 199.342 0.655 20 0 ACADLP C[NH2+]CCC[N@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 380089534 409871925 /nfs/dbraw/zinc/87/19/25/409871925.db2.gz ILLBLUNGYMJVKZ-GHMZBOCLSA-N 3 2 199.342 0.655 20 0 ACADLP C[NH2+]C[C@@H](C)N[C@H](C)c1[nH+]ccn1C 665295985 409872068 /nfs/dbraw/zinc/87/20/68/409872068.db2.gz LHBOBEHNVNJYQA-RKDXNWHRSA-N 2 2 196.298 0.679 20 0 ACADLP C[NH2+]CCC[N@@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 380089540 409872132 /nfs/dbraw/zinc/87/21/32/409872132.db2.gz ILLBLUNGYMJVKZ-WDEREUQCSA-N 3 2 199.342 0.655 20 0 ACADLP C[NH2+]C[C@H](C)[NH2+][C@@H](C)[C@@H](C)OC 665295350 409872159 /nfs/dbraw/zinc/87/21/59/409872159.db2.gz CGIQREUREWGSNY-XHNCKOQMSA-N 2 2 174.288 0.607 20 0 ACADLP C[NH2+]C[C@H](C)N[C@@H](C)c1[nH+]ccn1C 665295984 409872215 /nfs/dbraw/zinc/87/22/15/409872215.db2.gz LHBOBEHNVNJYQA-IUCAKERBSA-N 2 2 196.298 0.679 20 0 ACADLP C[NH2+]C[C@H](C)[NH2+][C@H](C)c1ccnn1C 665297514 409872245 /nfs/dbraw/zinc/87/22/45/409872245.db2.gz HQBHRBJTHDBTMH-DTWKUNHWSA-N 2 2 196.298 0.679 20 0 ACADLP C[NH2+]CCC[N@@H+]1CCC[C@H]([C@H](C)[NH3+])C1 380089539 409872260 /nfs/dbraw/zinc/87/22/60/409872260.db2.gz ILLBLUNGYMJVKZ-QWRGUYRKSA-N 3 2 199.342 0.655 20 0 ACADLP C[NH2+]CCC[N@H+]1CCC[C@H]([C@H](C)[NH3+])C1 380089539 409872265 /nfs/dbraw/zinc/87/22/65/409872265.db2.gz ILLBLUNGYMJVKZ-QWRGUYRKSA-N 3 2 199.342 0.655 20 0 ACADLP C[NH2+]C[C@@H](C)[NH2+][C@H](C)c1c[nH]nc1C 665296373 409872346 /nfs/dbraw/zinc/87/23/46/409872346.db2.gz RXAIYMCMEQAZLC-HTQZYQBOSA-N 2 2 196.298 0.977 20 0 ACADLP C[NH2+]C[C@H](C)[NH2+][C@@H](C)c1cnn(C)c1 665296122 409872544 /nfs/dbraw/zinc/87/25/44/409872544.db2.gz NCFOXOJDBIYLRB-IUCAKERBSA-N 2 2 196.298 0.679 20 0 ACADLP C[NH2+]C[C@H](C)N[C@H]1CCn2cc[nH+]c21 665297467 409872635 /nfs/dbraw/zinc/87/26/35/409872635.db2.gz GIUAWADHLRYZJU-IUCAKERBSA-N 2 2 194.282 0.525 20 0 ACADLP C[NH2+]C[C@@H](C)[NH2+][C@@H](C)c1ccnn1C 665297513 409872876 /nfs/dbraw/zinc/87/28/76/409872876.db2.gz HQBHRBJTHDBTMH-BDAKNGLRSA-N 2 2 196.298 0.679 20 0 ACADLP C[NH2+]C[C@@H](C)[NH2+][C@@H](C)c1c[nH]nc1C 665296375 409873182 /nfs/dbraw/zinc/87/31/82/409873182.db2.gz RXAIYMCMEQAZLC-SFYZADRCSA-N 2 2 196.298 0.977 20 0 ACADLP C[NH2+]C[C@@H](C)[NH2+][C@H](C)c1cnn(C)c1 665296123 409873317 /nfs/dbraw/zinc/87/33/17/409873317.db2.gz NCFOXOJDBIYLRB-RKDXNWHRSA-N 2 2 196.298 0.679 20 0 ACADLP C[NH2+]C[C@@H](C)[NH2+][C@H](C)c1ccnn1C 665297516 409873347 /nfs/dbraw/zinc/87/33/47/409873347.db2.gz HQBHRBJTHDBTMH-RKDXNWHRSA-N 2 2 196.298 0.679 20 0 ACADLP C[NH2+]C[C@H](C)[NH2+][C@@H](C)c1ccnn1C 665297515 409873457 /nfs/dbraw/zinc/87/34/57/409873457.db2.gz HQBHRBJTHDBTMH-IUCAKERBSA-N 2 2 196.298 0.679 20 0 ACADLP C[NH2+]C[C@@H](C)N[C@@H](C)c1[nH+]ccn1C 665295980 409873692 /nfs/dbraw/zinc/87/36/92/409873692.db2.gz LHBOBEHNVNJYQA-BDAKNGLRSA-N 2 2 196.298 0.679 20 0 ACADLP C[NH2+]C[C@@H](C)N[C@@H]1CCn2cc[nH+]c21 665297468 409873900 /nfs/dbraw/zinc/87/39/00/409873900.db2.gz GIUAWADHLRYZJU-RKDXNWHRSA-N 2 2 194.282 0.525 20 0 ACADLP C[NH2+]C[C@H](C)N[C@@H]1CCn2cc[nH+]c21 665297466 409873946 /nfs/dbraw/zinc/87/39/46/409873946.db2.gz GIUAWADHLRYZJU-DTWKUNHWSA-N 2 2 194.282 0.525 20 0 ACADLP C[NH2+]C[C@@H](C)[NH2+][C@@H](C)c1cnn(C)c1 665296120 409874034 /nfs/dbraw/zinc/87/40/34/409874034.db2.gz NCFOXOJDBIYLRB-BDAKNGLRSA-N 2 2 196.298 0.679 20 0 ACADLP C[NH2+]C[C@H](C)[NH2+][C@H](C)[C@@H](C)OC 665295349 409874118 /nfs/dbraw/zinc/87/41/18/409874118.db2.gz CGIQREUREWGSNY-DJLDLDEBSA-N 2 2 174.288 0.607 20 0 ACADLP C[NH2+]C[C@H](C)[NH2+][C@H](C)c1c[nH]nc1C 665296374 409874147 /nfs/dbraw/zinc/87/41/47/409874147.db2.gz RXAIYMCMEQAZLC-JGVFFNPUSA-N 2 2 196.298 0.977 20 0 ACADLP C[NH2+]C[C@@H](C)N[C@H]1CCn2cc[nH+]c21 665297465 409874281 /nfs/dbraw/zinc/87/42/81/409874281.db2.gz GIUAWADHLRYZJU-BDAKNGLRSA-N 2 2 194.282 0.525 20 0 ACADLP C[NH2+]C[C@H](C)[NH2+][C@H](C)c1cnn(C)c1 665296121 409874317 /nfs/dbraw/zinc/87/43/17/409874317.db2.gz NCFOXOJDBIYLRB-DTWKUNHWSA-N 2 2 196.298 0.679 20 0 ACADLP C[NH2+]C[C@H](C)[NH2+][C@@H](C)C[C@H](C)[NH3+] 665298868 409874934 /nfs/dbraw/zinc/87/49/34/409874934.db2.gz BCIMNOMKFONMHD-CIUDSAMLSA-N 3 2 173.304 0.310 20 0 ACADLP C[NH2+]C[C@H](C)[NH2+][C@H]1CCCC[C@@H]1C[NH3+] 665299083 409875081 /nfs/dbraw/zinc/87/50/81/409875081.db2.gz FWTHDHHXVGDTPL-AXFHLTTASA-N 3 2 199.342 0.701 20 0 ACADLP C[NH2+]C[C@H](C)[NH2+][C@@H](C)C[C@@H](C)[NH3+] 665298870 409875117 /nfs/dbraw/zinc/87/51/17/409875117.db2.gz BCIMNOMKFONMHD-VGMNWLOBSA-N 3 2 173.304 0.310 20 0 ACADLP C[NH2+]C[C@H](C)[NH2+][C@@H]1C[C@H](C)O[C@H]1C 665297996 409875322 /nfs/dbraw/zinc/87/53/22/409875322.db2.gz QDDLDMCSCBSYEK-AATLWQCWSA-N 2 2 186.299 0.750 20 0 ACADLP C[NH2+]C[C@H](C)[NH2+][C@@H](C)c1cn[nH]c1 665298477 409875548 /nfs/dbraw/zinc/87/55/48/409875548.db2.gz WVKPVYJQJLKZBP-YUMQZZPRSA-N 2 2 182.271 0.668 20 0 ACADLP CC[C@@H]([NH3+])C(=O)NCc1[nH]c[nH+]c1C 380226338 409875575 /nfs/dbraw/zinc/87/55/75/409875575.db2.gz OLKYXRLJRPOLGH-SSDOTTSWSA-N 2 2 196.254 0.072 20 0 ACADLP C[NH2+]C[C@H](C)[NH2+][C@@H]1C[C@H](C)O[C@@H]1C 665297997 409875803 /nfs/dbraw/zinc/87/58/03/409875803.db2.gz QDDLDMCSCBSYEK-AXTSPUMRSA-N 2 2 186.299 0.750 20 0 ACADLP CC[C@H]([NH3+])C(=O)NCc1[nH]c[nH+]c1C 380226339 409875807 /nfs/dbraw/zinc/87/58/07/409875807.db2.gz OLKYXRLJRPOLGH-ZETCQYMHSA-N 2 2 196.254 0.072 20 0 ACADLP C[NH2+]C[C@H](C)[NH2+][C@H]1CCC[C@@H]1C[NH3+] 665298875 409875817 /nfs/dbraw/zinc/87/58/17/409875817.db2.gz BJNIQOVCBJWWAH-AEJSXWLSSA-N 3 2 185.315 0.311 20 0 ACADLP C[NH2+]C[C@H](C)[NH2+][C@H](C)C[C@@H](C)[NH3+] 665298869 409875827 /nfs/dbraw/zinc/87/58/27/409875827.db2.gz BCIMNOMKFONMHD-HLTSFMKQSA-N 3 2 173.304 0.310 20 0 ACADLP C[NH2+]C[C@H](C)[NH2+][C@@H]1CCC[C@H]1C[NH3+] 665298878 409875862 /nfs/dbraw/zinc/87/58/62/409875862.db2.gz BJNIQOVCBJWWAH-LPEHRKFASA-N 3 2 185.315 0.311 20 0 ACADLP C[NH2+]C[C@H](C)[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] 665299086 409875929 /nfs/dbraw/zinc/87/59/29/409875929.db2.gz FWTHDHHXVGDTPL-HBNTYKKESA-N 3 2 199.342 0.701 20 0 ACADLP C[NH2+]C[C@H](C)[NH2+][C@H](C)c1cn[nH]c1 665298475 409875975 /nfs/dbraw/zinc/87/59/75/409875975.db2.gz WVKPVYJQJLKZBP-JGVFFNPUSA-N 2 2 182.271 0.668 20 0 ACADLP C[NH2+]C[C@H](C)[NH2+][C@@H]1CCC[C@@H]1C[NH3+] 665298877 409875986 /nfs/dbraw/zinc/87/59/86/409875986.db2.gz BJNIQOVCBJWWAH-IVZWLZJFSA-N 3 2 185.315 0.311 20 0 ACADLP C[NH2+]C[C@H](C)[NH2+][C@H]1CC[NH2+]CC[C@@H]1C 665298449 409875998 /nfs/dbraw/zinc/87/59/98/409875998.db2.gz WKEQERVIUISJCQ-DCAQKATOSA-N 3 2 199.342 0.572 20 0 ACADLP C[NH2+]C[C@H](C)[NH2+][C@@H]1CCCC[C@H]1C[NH3+] 665299085 409876072 /nfs/dbraw/zinc/87/60/72/409876072.db2.gz FWTHDHHXVGDTPL-GARJFASQSA-N 3 2 199.342 0.701 20 0 ACADLP C[NH2+]C[C@H](C)[NH2+][C@@H]1C[C@@H](C)O[C@@H]1C 665297999 409876123 /nfs/dbraw/zinc/87/61/23/409876123.db2.gz QDDLDMCSCBSYEK-SGIHWFKDSA-N 2 2 186.299 0.750 20 0 ACADLP C[NH2+]C[C@H](C)[NH2+][C@H]1CCC[C@H]1C[NH3+] 665298876 409876169 /nfs/dbraw/zinc/87/61/69/409876169.db2.gz BJNIQOVCBJWWAH-GUBZILKMSA-N 3 2 185.315 0.311 20 0 ACADLP C[NH2+]C[C@@H](C)[NH2+][C@@H](C)c1cn[nH]c1 665298476 409876505 /nfs/dbraw/zinc/87/65/05/409876505.db2.gz WVKPVYJQJLKZBP-SFYZADRCSA-N 2 2 182.271 0.668 20 0 ACADLP C[NH2+]C[C@H](C)[NH2+][C@@H]1CC[NH2+]CC[C@@H]1C 665298450 409876552 /nfs/dbraw/zinc/87/65/52/409876552.db2.gz WKEQERVIUISJCQ-GARJFASQSA-N 3 2 199.342 0.572 20 0 ACADLP C[NH2+]C[C@@H](C)[NH2+][C@H](C)c1cn[nH]c1 665298474 409876633 /nfs/dbraw/zinc/87/66/33/409876633.db2.gz WVKPVYJQJLKZBP-HTQZYQBOSA-N 2 2 182.271 0.668 20 0 ACADLP C[NH2+]C[C@H](C)[NH2+][C@H](C)C[C@H](C)[NH3+] 665298871 409876772 /nfs/dbraw/zinc/87/67/72/409876772.db2.gz BCIMNOMKFONMHD-YIZRAAEISA-N 3 2 173.304 0.310 20 0 ACADLP C[NH2+]C[C@H](C)[NH2+][C@H]1CCCC[C@H]1C[NH3+] 665299084 409877046 /nfs/dbraw/zinc/87/70/46/409877046.db2.gz FWTHDHHXVGDTPL-DCAQKATOSA-N 3 2 199.342 0.701 20 0 ACADLP C[NH2+]C[C@H](C)[NH2+][C@@H]1CC[NH2+]CC[C@H]1C 665298451 409877062 /nfs/dbraw/zinc/87/70/62/409877062.db2.gz WKEQERVIUISJCQ-OUAUKWLOSA-N 3 2 199.342 0.572 20 0 ACADLP C[NH2+]C[C@H](C)[NH2+][C@@H]1C[C@@H](C)O[C@H]1C 665297998 409877127 /nfs/dbraw/zinc/87/71/27/409877127.db2.gz QDDLDMCSCBSYEK-QCLAVDOMSA-N 2 2 186.299 0.750 20 0 ACADLP C[NH2+]C[C@H](C)[NH2+][C@H]1CC[NH2+]CC[C@H]1C 665298452 409877141 /nfs/dbraw/zinc/87/71/41/409877141.db2.gz WKEQERVIUISJCQ-VWYCJHECSA-N 3 2 199.342 0.572 20 0 ACADLP C[NH2+]CCC[N@@H+]1CCO[C@@H](C)[C@H]1C 380494067 409877629 /nfs/dbraw/zinc/87/76/29/409877629.db2.gz WYEMJGHCUXOZPL-ZJUUUORDSA-N 2 2 186.299 0.705 20 0 ACADLP C[NH2+]CCC[N@H+]1CCO[C@@H](C)[C@H]1C 380494067 409877635 /nfs/dbraw/zinc/87/76/35/409877635.db2.gz WYEMJGHCUXOZPL-ZJUUUORDSA-N 2 2 186.299 0.705 20 0 ACADLP C[NH2+]CCC[N@@H+]1CCO[C@H](C)[C@H]1C 380494060 409878378 /nfs/dbraw/zinc/87/83/78/409878378.db2.gz WYEMJGHCUXOZPL-NXEZZACHSA-N 2 2 186.299 0.705 20 0 ACADLP C[NH2+]CCC[N@H+]1CCO[C@H](C)[C@H]1C 380494060 409878384 /nfs/dbraw/zinc/87/83/84/409878384.db2.gz WYEMJGHCUXOZPL-NXEZZACHSA-N 2 2 186.299 0.705 20 0 ACADLP C[NH2+]CCC[N@@H+]1CCO[C@H](C)[C@@H]1C 380494064 409878497 /nfs/dbraw/zinc/87/84/97/409878497.db2.gz WYEMJGHCUXOZPL-VHSXEESVSA-N 2 2 186.299 0.705 20 0 ACADLP C[NH2+]CCC[N@H+]1CCO[C@H](C)[C@@H]1C 380494064 409878511 /nfs/dbraw/zinc/87/85/11/409878511.db2.gz WYEMJGHCUXOZPL-VHSXEESVSA-N 2 2 186.299 0.705 20 0 ACADLP C[NH2+]CCC[N@@H+]1CCO[C@@H](C)[C@@H]1C 380494063 409879636 /nfs/dbraw/zinc/87/96/36/409879636.db2.gz WYEMJGHCUXOZPL-UWVGGRQHSA-N 2 2 186.299 0.705 20 0 ACADLP C[NH2+]CCC[N@H+]1CCO[C@@H](C)[C@@H]1C 380494063 409879642 /nfs/dbraw/zinc/87/96/42/409879642.db2.gz WYEMJGHCUXOZPL-UWVGGRQHSA-N 2 2 186.299 0.705 20 0 ACADLP C[N@H+](CCC[NH3+])C[C@@H]1CCC[NH2+]C1 381559189 409880722 /nfs/dbraw/zinc/88/07/22/409880722.db2.gz COTXSBIRHRIMFP-SNVBAGLBSA-N 3 2 185.315 0.267 20 0 ACADLP C[N@@H+](CCC[NH3+])C[C@@H]1CCC[NH2+]C1 381559189 409880730 /nfs/dbraw/zinc/88/07/30/409880730.db2.gz COTXSBIRHRIMFP-SNVBAGLBSA-N 3 2 185.315 0.267 20 0 ACADLP C[N@H+](CCC[NH3+])C[C@H]1CCC[NH2+]C1 381559185 409881860 /nfs/dbraw/zinc/88/18/60/409881860.db2.gz COTXSBIRHRIMFP-JTQLQIEISA-N 3 2 185.315 0.267 20 0 ACADLP C[N@@H+](CCC[NH3+])C[C@H]1CCC[NH2+]C1 381559185 409881868 /nfs/dbraw/zinc/88/18/68/409881868.db2.gz COTXSBIRHRIMFP-JTQLQIEISA-N 3 2 185.315 0.267 20 0 ACADLP C[N@H+](CCC[NH3+])Cc1cc[nH]n1 381981324 409885473 /nfs/dbraw/zinc/88/54/73/409885473.db2.gz IETPKNQERBSTHI-UHFFFAOYSA-N 2 2 168.244 0.190 20 0 ACADLP C[N@@H+](CCC[NH3+])Cc1cc[nH]n1 381981324 409885479 /nfs/dbraw/zinc/88/54/79/409885479.db2.gz IETPKNQERBSTHI-UHFFFAOYSA-N 2 2 168.244 0.190 20 0 ACADLP Cc1c[nH]nc1C[N@H+](C)CCC[NH3+] 382050345 409887202 /nfs/dbraw/zinc/88/72/02/409887202.db2.gz AUGHWOLFVKVATI-UHFFFAOYSA-N 2 2 182.271 0.499 20 0 ACADLP Cc1c[nH]nc1C[N@@H+](C)CCC[NH3+] 382050345 409887206 /nfs/dbraw/zinc/88/72/06/409887206.db2.gz AUGHWOLFVKVATI-UHFFFAOYSA-N 2 2 182.271 0.499 20 0 ACADLP Cc1cn[nH]c1C[N@H+](C)CCC[NH3+] 382050345 409887211 /nfs/dbraw/zinc/88/72/11/409887211.db2.gz AUGHWOLFVKVATI-UHFFFAOYSA-N 2 2 182.271 0.499 20 0 ACADLP Cc1cn[nH]c1C[N@@H+](C)CCC[NH3+] 382050345 409887214 /nfs/dbraw/zinc/88/72/14/409887214.db2.gz AUGHWOLFVKVATI-UHFFFAOYSA-N 2 2 182.271 0.499 20 0 ACADLP CC[C@H](CO)[N@H+](C)CCn1cc[nH+]c1 382060893 409888768 /nfs/dbraw/zinc/88/87/68/409888768.db2.gz CLCCXMLRRIKNEN-SNVBAGLBSA-N 2 2 197.282 0.586 20 0 ACADLP CC[C@H](CO)[N@@H+](C)CCn1cc[nH+]c1 382060893 409888772 /nfs/dbraw/zinc/88/87/72/409888772.db2.gz CLCCXMLRRIKNEN-SNVBAGLBSA-N 2 2 197.282 0.586 20 0 ACADLP Cc1cc(C[N@H+](C)CCC[NH3+])nn1C 382091400 409888968 /nfs/dbraw/zinc/88/89/68/409888968.db2.gz ZMAMDKOKBUGTEY-UHFFFAOYSA-N 2 2 196.298 0.509 20 0 ACADLP Cc1cc(C[N@@H+](C)CCC[NH3+])nn1C 382091400 409888974 /nfs/dbraw/zinc/88/89/74/409888974.db2.gz ZMAMDKOKBUGTEY-UHFFFAOYSA-N 2 2 196.298 0.509 20 0 ACADLP CC[C@@H](CO)[N@H+](C)CCn1cc[nH+]c1 382060892 409889140 /nfs/dbraw/zinc/88/91/40/409889140.db2.gz CLCCXMLRRIKNEN-JTQLQIEISA-N 2 2 197.282 0.586 20 0 ACADLP CC[C@@H](CO)[N@@H+](C)CCn1cc[nH+]c1 382060892 409889142 /nfs/dbraw/zinc/88/91/42/409889142.db2.gz CLCCXMLRRIKNEN-JTQLQIEISA-N 2 2 197.282 0.586 20 0 ACADLP C[C@@H](C[NH3+])N(C)Cc1c[nH+]cn1C 382968163 409905592 /nfs/dbraw/zinc/90/55/92/409905592.db2.gz FAOPFWWHQNMHMM-QMMMGPOBSA-N 2 2 182.271 0.199 20 0 ACADLP CCn1cc[nH+]c1CN(C)[C@@H](C)C[NH3+] 382997133 409905627 /nfs/dbraw/zinc/90/56/27/409905627.db2.gz LZORDYGRCZUSHI-VIFPVBQESA-N 2 2 196.298 0.682 20 0 ACADLP C[C@@H](C[NH3+])[N@H+](C)CCc1cn[nH]c1 382978769 409905684 /nfs/dbraw/zinc/90/56/84/409905684.db2.gz UXSBOFMPGQGBML-QMMMGPOBSA-N 2 2 182.271 0.231 20 0 ACADLP C[C@@H](C[NH3+])[N@@H+](C)CCc1cn[nH]c1 382978769 409905690 /nfs/dbraw/zinc/90/56/90/409905690.db2.gz UXSBOFMPGQGBML-QMMMGPOBSA-N 2 2 182.271 0.231 20 0 ACADLP C[C@H](C[NH3+])N(C)Cc1c[nH+]cn1C 382968148 409905861 /nfs/dbraw/zinc/90/58/61/409905861.db2.gz FAOPFWWHQNMHMM-MRVPVSSYSA-N 2 2 182.271 0.199 20 0 ACADLP CCn1cc[nH+]c1CN(C)[C@H](C)C[NH3+] 382997132 409908046 /nfs/dbraw/zinc/90/80/46/409908046.db2.gz LZORDYGRCZUSHI-SECBINFHSA-N 2 2 196.298 0.682 20 0 ACADLP C[C@H](C[NH3+])[N@H+](C)CCc1cn[nH]c1 382978768 409908232 /nfs/dbraw/zinc/90/82/32/409908232.db2.gz UXSBOFMPGQGBML-MRVPVSSYSA-N 2 2 182.271 0.231 20 0 ACADLP C[C@H](C[NH3+])[N@@H+](C)CCc1cn[nH]c1 382978768 409908237 /nfs/dbraw/zinc/90/82/37/409908237.db2.gz UXSBOFMPGQGBML-MRVPVSSYSA-N 2 2 182.271 0.231 20 0 ACADLP C[N@@H+]1CCC[C@@H]1C[NH2+]CC1(O)CCC1 386320414 409934036 /nfs/dbraw/zinc/93/40/36/409934036.db2.gz NJZOZAGOOAGIIE-SNVBAGLBSA-N 2 2 198.310 0.585 20 0 ACADLP C[N@H+]1CCC[C@@H]1C[NH2+]CC1(O)CCC1 386320414 409934041 /nfs/dbraw/zinc/93/40/41/409934041.db2.gz NJZOZAGOOAGIIE-SNVBAGLBSA-N 2 2 198.310 0.585 20 0 ACADLP Cc1cc(C)n(CC[N@H+](C)CC[NH3+])n1 386784243 409938650 /nfs/dbraw/zinc/93/86/50/409938650.db2.gz MYSFRUXPUDXSDN-UHFFFAOYSA-N 2 2 196.298 0.390 20 0 ACADLP Cc1cc(C)n(CC[N@@H+](C)CC[NH3+])n1 386784243 409938660 /nfs/dbraw/zinc/93/86/60/409938660.db2.gz MYSFRUXPUDXSDN-UHFFFAOYSA-N 2 2 196.298 0.390 20 0 ACADLP c1cn(CC[NH2+]Cc2ccon2)c[nH+]1 386514000 409939062 /nfs/dbraw/zinc/93/90/62/409939062.db2.gz CKEJSIQWNOYAOR-UHFFFAOYSA-N 2 2 192.222 0.661 20 0 ACADLP C[N@H+](CCC[NH3+])CC(C)(C)[NH3+] 388421982 409954629 /nfs/dbraw/zinc/95/46/29/409954629.db2.gz IEPLSIKTVUXWJG-UHFFFAOYSA-N 3 2 159.277 0.004 20 0 ACADLP C[N@@H+](CCC[NH3+])CC(C)(C)[NH3+] 388421982 409954636 /nfs/dbraw/zinc/95/46/36/409954636.db2.gz IEPLSIKTVUXWJG-UHFFFAOYSA-N 3 2 159.277 0.004 20 0 ACADLP C[NH2+]CCCN(C)Cc1[nH]cc[nH+]1 388711350 409960360 /nfs/dbraw/zinc/96/03/60/409960360.db2.gz PPFMMALINRSCEH-UHFFFAOYSA-N 2 2 182.271 0.451 20 0 ACADLP CC(C)[C@H]([NH3+])CC[N@H+](C)C[C@@H](C)[NH3+] 389214897 409965377 /nfs/dbraw/zinc/96/53/77/409965377.db2.gz JYYLJZRHJGIXMA-NXEZZACHSA-N 3 2 187.331 0.639 20 0 ACADLP C[NH2+]CCC[NH2+][C@@](C)(C[NH3+])C(C)C 389200432 409965117 /nfs/dbraw/zinc/96/51/17/409965117.db2.gz DCUGSLLSNVZLSU-JTQLQIEISA-N 3 2 187.331 0.559 20 0 ACADLP CC(C)[C@H]([NH3+])CC[N@@H+](C)C[C@H](C)[NH3+] 389214901 409966831 /nfs/dbraw/zinc/96/68/31/409966831.db2.gz JYYLJZRHJGIXMA-VHSXEESVSA-N 3 2 187.331 0.639 20 0 ACADLP CC(C)[C@H]([NH3+])CC[N@@H+](C)C[C@@H](C)[NH3+] 389214897 409965382 /nfs/dbraw/zinc/96/53/82/409965382.db2.gz JYYLJZRHJGIXMA-NXEZZACHSA-N 3 2 187.331 0.639 20 0 ACADLP CC(C)[C@@H]([NH3+])CC[N@H+](C)C[C@@H](C)[NH3+] 389214902 409965780 /nfs/dbraw/zinc/96/57/80/409965780.db2.gz JYYLJZRHJGIXMA-ZJUUUORDSA-N 3 2 187.331 0.639 20 0 ACADLP CC(C)[C@@H]([NH3+])CC[N@@H+](C)C[C@@H](C)[NH3+] 389214902 409965785 /nfs/dbraw/zinc/96/57/85/409965785.db2.gz JYYLJZRHJGIXMA-ZJUUUORDSA-N 3 2 187.331 0.639 20 0 ACADLP CC(C)[C@@H]([NH3+])CC[N@H+](C)C[C@H](C)[NH3+] 389214900 409966640 /nfs/dbraw/zinc/96/66/40/409966640.db2.gz JYYLJZRHJGIXMA-UWVGGRQHSA-N 3 2 187.331 0.639 20 0 ACADLP CC(C)[C@@H]([NH3+])CC[N@@H+](C)C[C@H](C)[NH3+] 389214900 409966646 /nfs/dbraw/zinc/96/66/46/409966646.db2.gz JYYLJZRHJGIXMA-UWVGGRQHSA-N 3 2 187.331 0.639 20 0 ACADLP C[NH2+]CCC[NH2+][C@](C)(C[NH3+])C(C)C 389200433 409966661 /nfs/dbraw/zinc/96/66/61/409966661.db2.gz DCUGSLLSNVZLSU-SNVBAGLBSA-N 3 2 187.331 0.559 20 0 ACADLP CC(C)[C@H]([NH3+])CC[N@H+](C)C[C@H](C)[NH3+] 389214901 409966828 /nfs/dbraw/zinc/96/68/28/409966828.db2.gz JYYLJZRHJGIXMA-VHSXEESVSA-N 3 2 187.331 0.639 20 0 ACADLP CC(C)([NH3+])C[NH2+]CCCn1cc[nH+]c1 389333578 409971570 /nfs/dbraw/zinc/97/15/70/409971570.db2.gz VVGKHWQUPSIJSO-UHFFFAOYSA-N 3 2 196.298 0.600 20 0 ACADLP C[NH2+]C[C@H]1CC[N@H+](Cc2cc[nH]n2)C1 389912927 409973953 /nfs/dbraw/zinc/97/39/53/409973953.db2.gz LEUWZEVUKYIQGI-SECBINFHSA-N 2 2 194.282 0.451 20 0 ACADLP C[NH2+]C[C@H]1CC[N@@H+](Cc2cc[nH]n2)C1 389912927 409973960 /nfs/dbraw/zinc/97/39/60/409973960.db2.gz LEUWZEVUKYIQGI-SECBINFHSA-N 2 2 194.282 0.451 20 0 ACADLP C[C@](C[NH3+])([NH2+]Cc1ccno1)C1CC1 389886531 409974041 /nfs/dbraw/zinc/97/40/41/409974041.db2.gz RWCLLDGLFDSZEI-SNVBAGLBSA-N 2 2 195.266 0.892 20 0 ACADLP C[C@@](C[NH3+])([NH2+]Cc1ccno1)C1CC1 389886529 409974215 /nfs/dbraw/zinc/97/42/15/409974215.db2.gz RWCLLDGLFDSZEI-JTQLQIEISA-N 2 2 195.266 0.892 20 0 ACADLP C[NH2+]C[C@@H]1CC[N@H+](Cc2cc[nH]n2)C1 389912928 409974417 /nfs/dbraw/zinc/97/44/17/409974417.db2.gz LEUWZEVUKYIQGI-VIFPVBQESA-N 2 2 194.282 0.451 20 0 ACADLP C[NH2+]C[C@@H]1CC[N@@H+](Cc2cc[nH]n2)C1 389912928 409974423 /nfs/dbraw/zinc/97/44/23/409974423.db2.gz LEUWZEVUKYIQGI-VIFPVBQESA-N 2 2 194.282 0.451 20 0 ACADLP COCC[NH2+][C@H](C)[C@@H]1CCCC[NH2+]1 395176584 410001975 /nfs/dbraw/zinc/00/19/75/410001975.db2.gz ZBPCRUHABJCFDD-ZJUUUORDSA-N 2 2 186.299 0.753 20 0 ACADLP COCC[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1 395176583 410002293 /nfs/dbraw/zinc/00/22/93/410002293.db2.gz ZBPCRUHABJCFDD-VHSXEESVSA-N 2 2 186.299 0.753 20 0 ACADLP COCC[NH2+][C@H](C)[C@H]1CCCC[NH2+]1 395176578 410002702 /nfs/dbraw/zinc/00/27/02/410002702.db2.gz ZBPCRUHABJCFDD-NXEZZACHSA-N 2 2 186.299 0.753 20 0 ACADLP COCC[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1 395176582 410003595 /nfs/dbraw/zinc/00/35/95/410003595.db2.gz ZBPCRUHABJCFDD-UWVGGRQHSA-N 2 2 186.299 0.753 20 0 ACADLP OC1(C[NH2+]CCn2cc[nH+]c2)CCC1 395450070 410006313 /nfs/dbraw/zinc/00/63/13/410006313.db2.gz UBFQFVPDNKOFLD-UHFFFAOYSA-N 2 2 195.266 0.388 20 0 ACADLP COC[C@@H]([NH2+][C@@H]1CCC[NH2+]C1)C1CC1 397275448 410009964 /nfs/dbraw/zinc/00/99/64/410009964.db2.gz ZBSIZEDJIHIJFL-GHMZBOCLSA-N 2 2 198.310 0.753 20 0 ACADLP COC[C@H]([NH2+][C@@H]1CCC[NH2+]C1)C1CC1 397275449 410011991 /nfs/dbraw/zinc/01/19/91/410011991.db2.gz ZBSIZEDJIHIJFL-MNOVXSKESA-N 2 2 198.310 0.753 20 0 ACADLP COC[C@H]([NH2+][C@H]1CCC[NH2+]C1)C1CC1 397275450 410012076 /nfs/dbraw/zinc/01/20/76/410012076.db2.gz ZBSIZEDJIHIJFL-QWRGUYRKSA-N 2 2 198.310 0.753 20 0 ACADLP COC[C@@H]([NH2+][C@H]1CCC[NH2+]C1)C1CC1 397275451 410012593 /nfs/dbraw/zinc/01/25/93/410012593.db2.gz ZBSIZEDJIHIJFL-WDEREUQCSA-N 2 2 198.310 0.753 20 0 ACADLP Cc1c[nH+]ccc1CC[NH2+]C[C@H](C)O 397547340 410013588 /nfs/dbraw/zinc/01/35/88/410013588.db2.gz URYNAEOBOCBMDU-JTQLQIEISA-N 2 2 194.278 0.903 20 0 ACADLP Cc1c[nH+]ccc1CC[NH2+]C[C@@H](C)O 397547343 410013832 /nfs/dbraw/zinc/01/38/32/410013832.db2.gz URYNAEOBOCBMDU-SNVBAGLBSA-N 2 2 194.278 0.903 20 0 ACADLP COC[C@H]([NH2+]CC[NH2+]C1CC1)C1CC1 397937097 410017822 /nfs/dbraw/zinc/01/78/22/410017822.db2.gz DYXAEKXKWDVIMK-NSHDSACASA-N 2 2 198.310 0.753 20 0 ACADLP CC[NH2+]CC[NH2+][C@@H](COC)C1CC1 397958240 410018334 /nfs/dbraw/zinc/01/83/34/410018334.db2.gz NWQFAWKAUAUGEJ-JTQLQIEISA-N 2 2 186.299 0.611 20 0 ACADLP COC[C@@H]([NH2+]CC[NH2+]C1CC1)C1CC1 397937095 410018283 /nfs/dbraw/zinc/01/82/83/410018283.db2.gz DYXAEKXKWDVIMK-LLVKDONJSA-N 2 2 198.310 0.753 20 0 ACADLP CC[NH2+]CC[NH2+][C@H](COC)C1CC1 397958242 410018409 /nfs/dbraw/zinc/01/84/09/410018409.db2.gz NWQFAWKAUAUGEJ-SNVBAGLBSA-N 2 2 186.299 0.611 20 0 ACADLP C[C@@H]([NH2+]C[C@@H]1C[NH2+]CCO1)C1CC1 398016417 410019697 /nfs/dbraw/zinc/01/96/97/410019697.db2.gz WYFIYHOQVKOMEC-SCZZXKLOSA-N 2 2 184.283 0.363 20 0 ACADLP C[C@H]([NH2+]C[C@H]1C[NH2+]CCO1)C1CC1 398016419 410020022 /nfs/dbraw/zinc/02/00/22/410020022.db2.gz WYFIYHOQVKOMEC-WCBMZHEXSA-N 2 2 184.283 0.363 20 0 ACADLP C[C@@H]([NH2+]C[C@H]1C[NH2+]CCO1)C1CC1 398016414 410021897 /nfs/dbraw/zinc/02/18/97/410021897.db2.gz WYFIYHOQVKOMEC-PSASIEDQSA-N 2 2 184.283 0.363 20 0 ACADLP C[C@H]([NH2+]C[C@@H]1C[NH2+]CCO1)C1CC1 398016421 410022206 /nfs/dbraw/zinc/02/22/06/410022206.db2.gz WYFIYHOQVKOMEC-WPRPVWTQSA-N 2 2 184.283 0.363 20 0 ACADLP C[C@H]([NH3+])C[N@H+](C)CCc1cnccn1 403073175 410037663 /nfs/dbraw/zinc/03/76/63/410037663.db2.gz XJKQWIYUSXQTHY-VIFPVBQESA-N 2 2 194.282 0.298 20 0 ACADLP C[C@H]([NH3+])C[N@@H+](C)CCc1cnccn1 403073175 410037669 /nfs/dbraw/zinc/03/76/69/410037669.db2.gz XJKQWIYUSXQTHY-VIFPVBQESA-N 2 2 194.282 0.298 20 0 ACADLP C[C@@H]([NH3+])C[N@H+](C)CCc1cnccn1 403073173 410037863 /nfs/dbraw/zinc/03/78/63/410037863.db2.gz XJKQWIYUSXQTHY-SECBINFHSA-N 2 2 194.282 0.298 20 0 ACADLP C[C@@H]([NH3+])C[N@@H+](C)CCc1cnccn1 403073173 410037869 /nfs/dbraw/zinc/03/78/69/410037869.db2.gz XJKQWIYUSXQTHY-SECBINFHSA-N 2 2 194.282 0.298 20 0 ACADLP CC(C)O[C@@H]1CCC[N@H+](CC[NH3+])C1 404582636 410042530 /nfs/dbraw/zinc/04/25/30/410042530.db2.gz RCOWWRWULFTAOG-SNVBAGLBSA-N 2 2 186.299 0.835 20 0 ACADLP CC(C)O[C@@H]1CCC[N@@H+](CC[NH3+])C1 404582636 410042534 /nfs/dbraw/zinc/04/25/34/410042534.db2.gz RCOWWRWULFTAOG-SNVBAGLBSA-N 2 2 186.299 0.835 20 0 ACADLP CC(C)O[C@H]1CCC[N@H+](CC[NH3+])C1 404582634 410042612 /nfs/dbraw/zinc/04/26/12/410042612.db2.gz RCOWWRWULFTAOG-JTQLQIEISA-N 2 2 186.299 0.835 20 0 ACADLP CC(C)O[C@H]1CCC[N@@H+](CC[NH3+])C1 404582634 410042619 /nfs/dbraw/zinc/04/26/19/410042619.db2.gz RCOWWRWULFTAOG-JTQLQIEISA-N 2 2 186.299 0.835 20 0 ACADLP COCCC1CC[NH+](CC[NH3+])CC1 409427159 410046042 /nfs/dbraw/zinc/04/60/42/410046042.db2.gz JUDUHNAXNUTGIC-UHFFFAOYSA-N 2 2 186.299 0.694 20 0 ACADLP c1cc(NC2C[NH2+]C2)nc(C2CC2)[nH+]1 409436594 410047047 /nfs/dbraw/zinc/04/70/47/410047047.db2.gz LPHFSKQOJVKYJE-UHFFFAOYSA-N 2 2 190.250 0.738 20 0 ACADLP CCC(C)(C)[NH2+][C@H]1C[NH2+]CC[C@@H]1O 536953308 410049528 /nfs/dbraw/zinc/04/95/28/410049528.db2.gz GXQVNEPSWJDDCO-IUCAKERBSA-N 2 2 186.299 0.487 20 0 ACADLP CCN(CC[NH3+])Cc1cc[nH+]c(N)c1 629557933 410148275 /nfs/dbraw/zinc/14/82/75/410148275.db2.gz KLEMUCLHKRISGX-UHFFFAOYSA-N 2 2 194.282 0.444 20 0 ACADLP CC[N@H+](CC[NH3+])Cc1ccc(N)nc1 629650997 410148752 /nfs/dbraw/zinc/14/87/52/410148752.db2.gz FNQSDCFCIPDWPP-UHFFFAOYSA-N 2 2 194.282 0.444 20 0 ACADLP CC[N@@H+](CC[NH3+])Cc1ccc(N)nc1 629650997 410148763 /nfs/dbraw/zinc/14/87/63/410148763.db2.gz FNQSDCFCIPDWPP-UHFFFAOYSA-N 2 2 194.282 0.444 20 0 ACADLP CC[C@@H]([NH3+])C[NH2+]Cc1ccc(N)nc1 647546811 410167883 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195.266 0.804 20 0 ACADLP OCC1(C[NH2+]Cc2c[nH+]c[nH]2)CCC1 308519556 573226197 /nfs/dbraw/zinc/22/61/97/573226197.db2.gz QQQWMHDFYODVBZ-UHFFFAOYSA-N 2 2 195.266 0.662 20 0 ACADLP c1[nH]c(C[NH2+]CCc2cn[nH]c2)c[nH+]1 308523287 573247791 /nfs/dbraw/zinc/24/77/91/573247791.db2.gz PUMBSVGFSCKKGC-UHFFFAOYSA-N 2 2 191.238 0.465 20 0 ACADLP CCSCC[N@H+](C)CC[NH2+]C 129332592 573274145 /nfs/dbraw/zinc/27/41/45/573274145.db2.gz WAZXKUQRDBGSDR-UHFFFAOYSA-N 2 2 176.329 0.891 20 0 ACADLP CCSCC[N@@H+](C)CC[NH2+]C 129332592 573274149 /nfs/dbraw/zinc/27/41/49/573274149.db2.gz WAZXKUQRDBGSDR-UHFFFAOYSA-N 2 2 176.329 0.891 20 0 ACADLP CCc1cc(NCCC[NH3+])nc[nH+]1 40764971 573326500 /nfs/dbraw/zinc/32/65/00/573326500.db2.gz GZLUGUQNXVRBQJ-UHFFFAOYSA-N 2 2 180.255 0.800 20 0 ACADLP [NH3+][C@@H]1CCC[C@@H]([NH2+]Cc2nnc[nH]2)C1 86403320 573412497 /nfs/dbraw/zinc/41/24/97/573412497.db2.gz GNYMQBAVHHOYSI-HTQZYQBOSA-N 2 2 195.270 0.164 20 0 ACADLP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCCOCC2)C1 83425507 573494378 /nfs/dbraw/zinc/49/43/78/573494378.db2.gz ZSLFAPVIZROBCG-MNOVXSKESA-N 2 2 198.310 0.849 20 0 ACADLP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCCOCC2)C1 83425507 573494382 /nfs/dbraw/zinc/49/43/82/573494382.db2.gz ZSLFAPVIZROBCG-MNOVXSKESA-N 2 2 198.310 0.849 20 0 ACADLP CCOCCC[N@H+](C)CC[NH2+]C 83551612 573549841 /nfs/dbraw/zinc/54/98/41/573549841.db2.gz SNSAOCKTUNFEGZ-UHFFFAOYSA-N 2 2 174.288 0.564 20 0 ACADLP CCOCCC[N@@H+](C)CC[NH2+]C 83551612 573549843 /nfs/dbraw/zinc/54/98/43/573549843.db2.gz SNSAOCKTUNFEGZ-UHFFFAOYSA-N 2 2 174.288 0.564 20 0 ACADLP C[NH+]1CCC([NH2+]CCC(C)(C)[NH3+])CC1 258814378 573594189 /nfs/dbraw/zinc/59/41/89/573594189.db2.gz SWEYDPVIXSXNIQ-UHFFFAOYSA-N 3 2 199.342 0.798 20 0 ACADLP C[C@H](C[NH3+])[NH+]1CCC1 108279850 573714101 /nfs/dbraw/zinc/71/41/01/573714101.db2.gz JRZFLGYOIRLVTR-ZCFIWIBFSA-N 2 2 114.192 0.039 20 0 ACADLP C[C@@H]([NH3+])C[NH+]1CCC1 108279857 573714721 /nfs/dbraw/zinc/71/47/21/573714721.db2.gz LZNCIEYUZUOCHB-ZCFIWIBFSA-N 2 2 114.192 0.039 20 0 ACADLP C[C@@H](C[NH3+])[NH+]1CCC1 108279847 573715152 /nfs/dbraw/zinc/71/51/52/573715152.db2.gz JRZFLGYOIRLVTR-LURJTMIESA-N 2 2 114.192 0.039 20 0 ACADLP C[C@H]([NH3+])C[NH+]1CCC1 108279855 573715372 /nfs/dbraw/zinc/71/53/72/573715372.db2.gz LZNCIEYUZUOCHB-LURJTMIESA-N 2 2 114.192 0.039 20 0 ACADLP C[NH2+][C@@H](C)c1nc([C@H]2CCC[NH2+]2)no1 258135728 573804968 /nfs/dbraw/zinc/80/49/68/573804968.db2.gz VBIOFKUCOMYECX-NKWVEPMBSA-N 2 2 196.254 0.775 20 0 ACADLP C[C@H]1COC[C@@H]1[NH2+]CCn1cc[nH+]c1 687966351 573830350 /nfs/dbraw/zinc/83/03/50/573830350.db2.gz NUUWWIQMFQIHJU-UWVGGRQHSA-N 2 2 195.266 0.508 20 0 ACADLP C[C@@H]1COC[C@@H]1[NH2+]CCn1cc[nH+]c1 687966362 573830364 /nfs/dbraw/zinc/83/03/64/573830364.db2.gz NUUWWIQMFQIHJU-ZJUUUORDSA-N 2 2 195.266 0.508 20 0 ACADLP C[C@H]1COC[C@H]1[NH2+]CCn1cc[nH+]c1 687966352 573831601 /nfs/dbraw/zinc/83/16/01/573831601.db2.gz NUUWWIQMFQIHJU-VHSXEESVSA-N 2 2 195.266 0.508 20 0 ACADLP C[C@H](O)C[NH2+]C[C@H]1CCCC[N@@H+]1C 44562788 573915055 /nfs/dbraw/zinc/91/50/55/573915055.db2.gz PJWHDMCZFNDWQX-VHSXEESVSA-N 2 2 186.299 0.441 20 0 ACADLP C[C@H](O)C[NH2+]C[C@H]1CCCC[N@H+]1C 44562788 573915059 /nfs/dbraw/zinc/91/50/59/573915059.db2.gz PJWHDMCZFNDWQX-VHSXEESVSA-N 2 2 186.299 0.441 20 0 ACADLP [NH3+]C[C@@H]([NH3+])Cc1ccccc1F 84931783 573927180 /nfs/dbraw/zinc/92/71/80/573927180.db2.gz MMQGBCAIJPJNFM-QMMMGPOBSA-N 2 2 168.215 0.654 20 0 ACADLP Cc1cc(N2CC(C[NH3+])C2)nc[nH+]1 84987444 573937667 /nfs/dbraw/zinc/93/76/67/573937667.db2.gz YLSXWAXVGIXXGC-UHFFFAOYSA-N 2 2 178.239 0.180 20 0 ACADLP C[NH2+]CC[N@H+](C)[C@H](C)COC 42519294 573963648 /nfs/dbraw/zinc/96/36/48/573963648.db2.gz WXJMAMMVVQZBKA-MRVPVSSYSA-N 2 2 160.261 0.173 20 0 ACADLP C[NH2+]CC[N@@H+](C)[C@H](C)COC 42519294 573963651 /nfs/dbraw/zinc/96/36/51/573963651.db2.gz WXJMAMMVVQZBKA-MRVPVSSYSA-N 2 2 160.261 0.173 20 0 ACADLP COC[C@H](C)[N@H+](C)C[C@@H](C)[NH3+] 42518059 573965525 /nfs/dbraw/zinc/96/55/25/573965525.db2.gz ZHGBOZSYRDVPFK-SFYZADRCSA-N 2 2 160.261 0.300 20 0 ACADLP COC[C@H](C)[N@@H+](C)C[C@@H](C)[NH3+] 42518059 573965530 /nfs/dbraw/zinc/96/55/30/573965530.db2.gz ZHGBOZSYRDVPFK-SFYZADRCSA-N 2 2 160.261 0.300 20 0 ACADLP CC(C)n1c[nH+]cc1CNCC[NH3+] 85188114 574005479 /nfs/dbraw/zinc/00/54/79/574005479.db2.gz SNDBUZJOLRAZEO-UHFFFAOYSA-N 2 2 182.271 0.512 20 0 ACADLP FCC[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 87689892 574018597 /nfs/dbraw/zinc/01/85/97/574018597.db2.gz MWLFIQGDYBJJHC-HTQZYQBOSA-N 2 2 158.220 0.107 20 0 ACADLP c1[nH]c(C[NH2+][C@@H]2C[C@H]3CC[C@@H]2O3)c[nH+]1 87689791 574019073 /nfs/dbraw/zinc/01/90/73/574019073.db2.gz QJPBWDRFZPNKHN-BBBLOLIVSA-N 2 2 193.250 0.819 20 0 ACADLP C1C[NH2+]C[C@@H]([NH2+][C@H]2CCOC2)C1 87784931 574034644 /nfs/dbraw/zinc/03/46/44/574034644.db2.gz DIICIUAZIVJBIS-IUCAKERBSA-N 2 2 170.256 0.117 20 0 ACADLP CC(C)[N@H+](C)[C@@H]1C[NH2+]CC[C@@H]1O 675058714 538449148 /nfs/dbraw/zinc/44/91/48/538449148.db2.gz VAKPLINBIYRIPZ-BDAKNGLRSA-N 2 2 172.272 0.049 20 0 ACADLP CC(C)[N@@H+](C)[C@@H]1C[NH2+]CC[C@@H]1O 675058714 538449149 /nfs/dbraw/zinc/44/91/49/538449149.db2.gz VAKPLINBIYRIPZ-BDAKNGLRSA-N 2 2 172.272 0.049 20 0 ACADLP [NH3+]C[C@H]1CCC[N@@H+](C[C@H]2CC[NH2+]C2)C1 306562085 629660825 /nfs/dbraw/zinc/66/08/25/629660825.db2.gz UGDABFGKOMNYGA-MNOVXSKESA-N 3 2 197.326 0.267 20 0 ACADLP [NH3+]C[C@H]1CCC[N@H+](C[C@H]2CC[NH2+]C2)C1 306562085 629660821 /nfs/dbraw/zinc/66/08/21/629660821.db2.gz UGDABFGKOMNYGA-MNOVXSKESA-N 3 2 197.326 0.267 20 0 ACADLP [NH3+]C[C@@H]1CCC[N@H+](C[C@@H]2CC[NH2+]C2)C1 306562504 629662539 /nfs/dbraw/zinc/66/25/39/629662539.db2.gz UGDABFGKOMNYGA-WDEREUQCSA-N 3 2 197.326 0.267 20 0 ACADLP [NH3+]C[C@@H]1CCC[N@@H+](C[C@@H]2CC[NH2+]C2)C1 306562504 629662547 /nfs/dbraw/zinc/66/25/47/629662547.db2.gz UGDABFGKOMNYGA-WDEREUQCSA-N 3 2 197.326 0.267 20 0 ACADLP [NH3+]C[C@H]1CCC[N@H+](C[C@@H]2CC[NH2+]C2)C1 306562083 629662954 /nfs/dbraw/zinc/66/29/54/629662954.db2.gz UGDABFGKOMNYGA-GHMZBOCLSA-N 3 2 197.326 0.267 20 0 ACADLP [NH3+]C[C@H]1CCC[N@@H+](C[C@@H]2CC[NH2+]C2)C1 306562083 629662958 /nfs/dbraw/zinc/66/29/58/629662958.db2.gz UGDABFGKOMNYGA-GHMZBOCLSA-N 3 2 197.326 0.267 20 0 ACADLP [NH3+]C[C@@H]1CCC[N@H+](C[C@H]2CC[NH2+]C2)C1 306562087 629664095 /nfs/dbraw/zinc/66/40/95/629664095.db2.gz UGDABFGKOMNYGA-QWRGUYRKSA-N 3 2 197.326 0.267 20 0 ACADLP [NH3+]C[C@@H]1CCC[N@@H+](C[C@H]2CC[NH2+]C2)C1 306562087 629664101 /nfs/dbraw/zinc/66/41/01/629664101.db2.gz UGDABFGKOMNYGA-QWRGUYRKSA-N 3 2 197.326 0.267 20 0 ACADLP C[C@@H]1COCC[N@H+](C[C@H]2CCC[NH2+]2)C1 306688667 629669433 /nfs/dbraw/zinc/66/94/33/629669433.db2.gz NDELLFOEAMYMNE-WDEREUQCSA-N 2 2 198.310 0.707 20 0 ACADLP C[C@@H]1COCC[N@@H+](C[C@H]2CCC[NH2+]2)C1 306688667 629669438 /nfs/dbraw/zinc/66/94/38/629669438.db2.gz NDELLFOEAMYMNE-WDEREUQCSA-N 2 2 198.310 0.707 20 0 ACADLP C[C@H]1COCC[N@H+](C[C@H]2CCC[NH2+]2)C1 306688666 629671835 /nfs/dbraw/zinc/67/18/35/629671835.db2.gz NDELLFOEAMYMNE-GHMZBOCLSA-N 2 2 198.310 0.707 20 0 ACADLP C[C@H]1COCC[N@@H+](C[C@H]2CCC[NH2+]2)C1 306688666 629671849 /nfs/dbraw/zinc/67/18/49/629671849.db2.gz NDELLFOEAMYMNE-GHMZBOCLSA-N 2 2 198.310 0.707 20 0 ACADLP C[C@@H]1CC[C@@H](O)C[N@@H+]1C[C@H]1CCC[NH2+]1 306860937 629682372 /nfs/dbraw/zinc/68/23/72/629682372.db2.gz GQGRQUUMQGQXSE-GMTAPVOTSA-N 2 2 198.310 0.584 20 0 ACADLP C[C@@H]1CC[C@@H](O)C[N@H+]1C[C@H]1CCC[NH2+]1 306860937 629682378 /nfs/dbraw/zinc/68/23/78/629682378.db2.gz GQGRQUUMQGQXSE-GMTAPVOTSA-N 2 2 198.310 0.584 20 0 ACADLP CCCCCC[N@H+](CC[NH3+])CCO 308360207 629860055 /nfs/dbraw/zinc/86/00/55/629860055.db2.gz MAMZGYXCJLZCOQ-UHFFFAOYSA-N 2 2 188.315 0.820 20 0 ACADLP CCCCCC[N@@H+](CC[NH3+])CCO 308360207 629860056 /nfs/dbraw/zinc/86/00/56/629860056.db2.gz MAMZGYXCJLZCOQ-UHFFFAOYSA-N 2 2 188.315 0.820 20 0 ACADLP OC[C@@H]1CC[N@@H+]1CCCn1cc[nH+]c1 934017620 629874707 /nfs/dbraw/zinc/87/47/07/629874707.db2.gz QBCRHVTYIAXPQG-JTQLQIEISA-N 2 2 195.266 0.340 20 0 ACADLP OC[C@@H]1CC[N@H+]1CCCn1cc[nH+]c1 934017620 629874710 /nfs/dbraw/zinc/87/47/10/629874710.db2.gz QBCRHVTYIAXPQG-JTQLQIEISA-N 2 2 195.266 0.340 20 0 ACADLP OC[C@H]1CC[N@@H+]1CCCn1cc[nH+]c1 934017621 629876230 /nfs/dbraw/zinc/87/62/30/629876230.db2.gz QBCRHVTYIAXPQG-SNVBAGLBSA-N 2 2 195.266 0.340 20 0 ACADLP OC[C@H]1CC[N@H+]1CCCn1cc[nH+]c1 934017621 629876231 /nfs/dbraw/zinc/87/62/31/629876231.db2.gz QBCRHVTYIAXPQG-SNVBAGLBSA-N 2 2 195.266 0.340 20 0 ACADLP CN(C(=[NH2+])NCC[NH+]1CCC1)C1CC1 849014682 629891391 /nfs/dbraw/zinc/89/13/91/629891391.db2.gz ORCFIMIHPKCQBE-UHFFFAOYSA-N 2 2 196.298 0.311 20 0 ACADLP CC(C)NC(=[NH2+])NCCn1cc[nH+]c1 52043390 629927289 /nfs/dbraw/zinc/92/72/89/629927289.db2.gz LIUOCSNCGCLWEE-UHFFFAOYSA-N 2 2 195.270 0.405 20 0 ACADLP CNC(=[NH2+])NCCCCn1cc[nH+]c1 52035842 629927709 /nfs/dbraw/zinc/92/77/09/629927709.db2.gz VECYZFFXEHZLMF-UHFFFAOYSA-N 2 2 195.270 0.407 20 0 ACADLP CNC(=[NH2+])NCCCn1cc[nH+]c1 52019590 629928025 /nfs/dbraw/zinc/92/80/25/629928025.db2.gz VQQKJYSDENBCJY-UHFFFAOYSA-N 2 2 181.243 0.017 20 0 ACADLP CCCNC(=[NH2+])NCCn1cc[nH+]c1 52043388 629928327 /nfs/dbraw/zinc/92/83/27/629928327.db2.gz BAHOOPANHGHRRY-UHFFFAOYSA-N 2 2 195.270 0.407 20 0 ACADLP CCCCCNC(C[NH3+])C[NH3+] 308164228 629991187 /nfs/dbraw/zinc/99/11/87/629991187.db2.gz TYSXXYXOPFHASV-UHFFFAOYSA-N 2 2 159.277 0.052 20 0 ACADLP CC[N@@H+]1CCC[C@@H]([NH2+][C@@H]2CCOC2)C1 70968152 521624769 /nfs/dbraw/zinc/62/47/69/521624769.db2.gz ZWPSCSULQGOKTM-GHMZBOCLSA-N 2 2 198.310 0.849 20 0 ACADLP CC[N@H+]1CCC[C@@H]([NH2+][C@@H]2CCOC2)C1 70968152 521624774 /nfs/dbraw/zinc/62/47/74/521624774.db2.gz ZWPSCSULQGOKTM-GHMZBOCLSA-N 2 2 198.310 0.849 20 0 ACADLP C[NH2+][C@H]1CCN(Cc2c[nH+]cn2C)C1 133156704 522504454 /nfs/dbraw/zinc/50/44/54/522504454.db2.gz SFIHTEPCYZTTLF-VIFPVBQESA-N 2 2 194.282 0.214 20 0 ACADLP CC[C@@H](C)[NH2+][C@@H]1C[NH2+]CCOC1 925505635 630022666 /nfs/dbraw/zinc/02/26/66/630022666.db2.gz VMABROZFLASIJY-RKDXNWHRSA-N 2 2 172.272 0.363 20 0 ACADLP C1CCC([NH2+][C@@H]2C[NH2+]CCOC2)CC1 925504396 630022951 /nfs/dbraw/zinc/02/29/51/630022951.db2.gz QOIJKFRYGSZOQK-LLVKDONJSA-N 2 2 198.310 0.897 20 0 ACADLP C1CCC([NH2+][C@H]2C[NH2+]CCOC2)CC1 925504397 630023338 /nfs/dbraw/zinc/02/33/38/630023338.db2.gz QOIJKFRYGSZOQK-NSHDSACASA-N 2 2 198.310 0.897 20 0 ACADLP CC[C@H](C)[NH2+][C@H]1C[NH2+]CCOC1 925505633 630023411 /nfs/dbraw/zinc/02/34/11/630023411.db2.gz VMABROZFLASIJY-IUCAKERBSA-N 2 2 172.272 0.363 20 0 ACADLP CC[C@@H](C)[NH2+][C@H]1C[NH2+]CCOC1 925505627 630023637 /nfs/dbraw/zinc/02/36/37/630023637.db2.gz VMABROZFLASIJY-BDAKNGLRSA-N 2 2 172.272 0.363 20 0 ACADLP CC[C@H](C)[NH2+][C@@H]1C[NH2+]CCOC1 925505630 630023738 /nfs/dbraw/zinc/02/37/38/630023738.db2.gz VMABROZFLASIJY-DTWKUNHWSA-N 2 2 172.272 0.363 20 0 ACADLP C[C@@H](C[NH2+][C@H]1C[NH2+]CCOC1)C1CC1 925583329 630027712 /nfs/dbraw/zinc/02/77/12/630027712.db2.gz DTRIWJAYPHRNNS-ONGXEEELSA-N 2 2 198.310 0.611 20 0 ACADLP C[C@@H](C[NH2+][C@@H]1C[NH2+]CCOC1)C1CC1 925583318 630027949 /nfs/dbraw/zinc/02/79/49/630027949.db2.gz DTRIWJAYPHRNNS-GXSJLCMTSA-N 2 2 198.310 0.611 20 0 ACADLP C[C@H](C[NH2+][C@@H]1C[NH2+]CCOC1)C1CC1 925583326 630028443 /nfs/dbraw/zinc/02/84/43/630028443.db2.gz DTRIWJAYPHRNNS-MWLCHTKSSA-N 2 2 198.310 0.611 20 0 ACADLP C[C@H](C[NH2+][C@H]1C[NH2+]CCOC1)C1CC1 925583321 630028652 /nfs/dbraw/zinc/02/86/52/630028652.db2.gz DTRIWJAYPHRNNS-KOLCDFICSA-N 2 2 198.310 0.611 20 0 ACADLP C1=CC[C@@H]([NH2+][C@@H]2C[NH2+]CCOC2)CC1 925621121 630031220 /nfs/dbraw/zinc/03/12/20/630031220.db2.gz ZHUGNOPXKHLFCS-GHMZBOCLSA-N 2 2 196.294 0.673 20 0 ACADLP C1=CC[C@@H]([NH2+][C@H]2C[NH2+]CCOC2)CC1 925621122 630031405 /nfs/dbraw/zinc/03/14/05/630031405.db2.gz ZHUGNOPXKHLFCS-MNOVXSKESA-N 2 2 196.294 0.673 20 0 ACADLP C1=CC[C@H]([NH2+][C@H]2C[NH2+]CCOC2)CC1 925621123 630031837 /nfs/dbraw/zinc/03/18/37/630031837.db2.gz ZHUGNOPXKHLFCS-QWRGUYRKSA-N 2 2 196.294 0.673 20 0 ACADLP C1=CC[C@H]([NH2+][C@@H]2C[NH2+]CCOC2)CC1 925621124 630032221 /nfs/dbraw/zinc/03/22/21/630032221.db2.gz ZHUGNOPXKHLFCS-WDEREUQCSA-N 2 2 196.294 0.673 20 0 ACADLP CC1(CC[NH2+][C@H]2C[NH2+]CCOC2)CC1 925656352 630032860 /nfs/dbraw/zinc/03/28/60/630032860.db2.gz ZDHMNGOGBAEKGS-JTQLQIEISA-N 2 2 198.310 0.755 20 0 ACADLP CC1(CC[NH2+][C@@H]2C[NH2+]CCOC2)CC1 925656353 630033107 /nfs/dbraw/zinc/03/31/07/630033107.db2.gz ZDHMNGOGBAEKGS-SNVBAGLBSA-N 2 2 198.310 0.755 20 0 ACADLP CC1(C)[NH2+]CC[C@@H]1[NH2+]C/C=C\CO 925705698 630038881 /nfs/dbraw/zinc/03/88/81/630038881.db2.gz KHVROEBHQIHHPJ-TYRPZCRBSA-N 2 2 184.283 0.265 20 0 ACADLP CC1(C)[NH2+]CC[C@H]1[NH2+]C/C=C/CO 925705696 630039100 /nfs/dbraw/zinc/03/91/00/630039100.db2.gz KHVROEBHQIHHPJ-CDAZIORVSA-N 2 2 184.283 0.265 20 0 ACADLP CC1(C)[NH2+]CC[C@H]1[NH2+]C/C=C\CO 925705699 630039283 /nfs/dbraw/zinc/03/92/83/630039283.db2.gz KHVROEBHQIHHPJ-ZBJFTSOASA-N 2 2 184.283 0.265 20 0 ACADLP CC1(C)[NH2+]CC[C@@H]1[NH2+]C/C=C/CO 925705697 630039302 /nfs/dbraw/zinc/03/93/02/630039302.db2.gz KHVROEBHQIHHPJ-NWALNABHSA-N 2 2 184.283 0.265 20 0 ACADLP C[C@H]([NH2+]CCC(C)(C)[NH3+])[C@H]1CCC[NH2+]1 925738077 630049496 /nfs/dbraw/zinc/04/94/96/630049496.db2.gz MXUQVRKWXPIMPV-VHSXEESVSA-N 3 2 199.342 0.844 20 0 ACADLP C[C@H]([NH2+]CCC(C)(C)[NH3+])[C@@H]1CCC[NH2+]1 925738076 630050063 /nfs/dbraw/zinc/05/00/63/630050063.db2.gz MXUQVRKWXPIMPV-UWVGGRQHSA-N 3 2 199.342 0.844 20 0 ACADLP C[C@@H]([NH2+]CCC(C)(C)[NH3+])[C@@H]1CCC[NH2+]1 925738078 630050206 /nfs/dbraw/zinc/05/02/06/630050206.db2.gz MXUQVRKWXPIMPV-ZJUUUORDSA-N 3 2 199.342 0.844 20 0 ACADLP C[C@@H]([NH2+]CCC(C)(C)[NH3+])[C@H]1CCC[NH2+]1 925738075 630050262 /nfs/dbraw/zinc/05/02/62/630050262.db2.gz MXUQVRKWXPIMPV-NXEZZACHSA-N 3 2 199.342 0.844 20 0 ACADLP C[NH2+]CC[N@H+](C)C[C@@H]1CCSC1 162933445 630052189 /nfs/dbraw/zinc/05/21/89/630052189.db2.gz GFGRXVVSVZLUKA-VIFPVBQESA-N 2 2 188.340 0.891 20 0 ACADLP C[NH2+]CC[N@@H+](C)C[C@@H]1CCSC1 162933445 630052193 /nfs/dbraw/zinc/05/21/93/630052193.db2.gz GFGRXVVSVZLUKA-VIFPVBQESA-N 2 2 188.340 0.891 20 0 ACADLP C[NH2+]CC[N@H+](C)C[C@H]1CCSC1 162933567 630052300 /nfs/dbraw/zinc/05/23/00/630052300.db2.gz GFGRXVVSVZLUKA-SECBINFHSA-N 2 2 188.340 0.891 20 0 ACADLP C[NH2+]CC[N@@H+](C)C[C@H]1CCSC1 162933567 630052306 /nfs/dbraw/zinc/05/23/06/630052306.db2.gz GFGRXVVSVZLUKA-SECBINFHSA-N 2 2 188.340 0.891 20 0 ACADLP C[NH2+]CC[N@H+](C)C[C@H]1CCO[C@@H]1C 162931956 630052340 /nfs/dbraw/zinc/05/23/40/630052340.db2.gz YIHMRGJJBAHPEM-NXEZZACHSA-N 2 2 186.299 0.563 20 0 ACADLP C[NH2+]CC[N@@H+](C)C[C@H]1CCO[C@@H]1C 162931956 630052343 /nfs/dbraw/zinc/05/23/43/630052343.db2.gz YIHMRGJJBAHPEM-NXEZZACHSA-N 2 2 186.299 0.563 20 0 ACADLP C[NH2+]CC[N@H+](C)C[C@H]1CCO[C@H]1C 162932074 630052355 /nfs/dbraw/zinc/05/23/55/630052355.db2.gz YIHMRGJJBAHPEM-VHSXEESVSA-N 2 2 186.299 0.563 20 0 ACADLP C[NH2+]CC[N@@H+](C)C[C@H]1CCO[C@H]1C 162932074 630052360 /nfs/dbraw/zinc/05/23/60/630052360.db2.gz YIHMRGJJBAHPEM-VHSXEESVSA-N 2 2 186.299 0.563 20 0 ACADLP C[NH2+]CC[N@H+](C)C[C@@H]1CCO[C@H]1C 162931817 630052402 /nfs/dbraw/zinc/05/24/02/630052402.db2.gz YIHMRGJJBAHPEM-UWVGGRQHSA-N 2 2 186.299 0.563 20 0 ACADLP C[NH2+]CC[N@@H+](C)C[C@@H]1CCO[C@H]1C 162931817 630052407 /nfs/dbraw/zinc/05/24/07/630052407.db2.gz YIHMRGJJBAHPEM-UWVGGRQHSA-N 2 2 186.299 0.563 20 0 ACADLP COCCC[N@H+](C)C[C@H]1CCC[NH2+]1 62031630 630061420 /nfs/dbraw/zinc/06/14/20/630061420.db2.gz VODUUKLYLAEIEC-SNVBAGLBSA-N 2 2 186.299 0.707 20 0 ACADLP COCCC[N@@H+](C)C[C@H]1CCC[NH2+]1 62031630 630061427 /nfs/dbraw/zinc/06/14/27/630061427.db2.gz VODUUKLYLAEIEC-SNVBAGLBSA-N 2 2 186.299 0.707 20 0 ACADLP CC(=O)C[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 306202441 630087333 /nfs/dbraw/zinc/08/73/33/630087333.db2.gz MGCLQJCZQLQAAZ-MNOVXSKESA-N 2 2 196.294 0.459 20 0 ACADLP CC(=O)C[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 306202441 630087340 /nfs/dbraw/zinc/08/73/40/630087340.db2.gz MGCLQJCZQLQAAZ-MNOVXSKESA-N 2 2 196.294 0.459 20 0 ACADLP CC(=O)C[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 306202441 630087347 /nfs/dbraw/zinc/08/73/47/630087347.db2.gz MGCLQJCZQLQAAZ-MNOVXSKESA-N 2 2 196.294 0.459 20 0 ACADLP CC(=O)C[N@@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 306202441 630087352 /nfs/dbraw/zinc/08/73/52/630087352.db2.gz MGCLQJCZQLQAAZ-MNOVXSKESA-N 2 2 196.294 0.459 20 0 ACADLP CC[C@H](O)C[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]21 307067284 630144097 /nfs/dbraw/zinc/14/40/97/630144097.db2.gz KRWJCZJPLREQTJ-UTLUCORTSA-N 2 2 184.283 0.051 20 0 ACADLP CC[C@H](O)C[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]21 307067284 630144106 /nfs/dbraw/zinc/14/41/06/630144106.db2.gz KRWJCZJPLREQTJ-UTLUCORTSA-N 2 2 184.283 0.051 20 0 ACADLP C[NH2+]CC[N@H+](C)C[C@@H]1CCO[C@@H]1C 162931697 630201242 /nfs/dbraw/zinc/20/12/42/630201242.db2.gz YIHMRGJJBAHPEM-ZJUUUORDSA-N 2 2 186.299 0.563 20 0 ACADLP C[NH2+]CC[N@@H+](C)C[C@@H]1CCO[C@@H]1C 162931697 630201250 /nfs/dbraw/zinc/20/12/50/630201250.db2.gz YIHMRGJJBAHPEM-ZJUUUORDSA-N 2 2 186.299 0.563 20 0 ACADLP COC[C@H](C)[N@H+](C)C[C@H](C)[NH3+] 42518058 630748112 /nfs/dbraw/zinc/74/81/12/630748112.db2.gz ZHGBOZSYRDVPFK-YUMQZZPRSA-N 2 2 160.261 0.300 20 0 ACADLP COC[C@H](C)[N@@H+](C)C[C@H](C)[NH3+] 42518058 630748114 /nfs/dbraw/zinc/74/81/14/630748114.db2.gz ZHGBOZSYRDVPFK-YUMQZZPRSA-N 2 2 160.261 0.300 20 0 ACADLP C[C@H]([NH3+])C[N@H+](C)C[C@@H]1CC[C@@H](C)O1 232047700 630748256 /nfs/dbraw/zinc/74/82/56/630748256.db2.gz BYAQMEBCTPOMGG-AEJSXWLSSA-N 2 2 186.299 0.833 20 0 ACADLP C[C@H]([NH3+])C[N@@H+](C)C[C@@H]1CC[C@@H](C)O1 232047700 630748262 /nfs/dbraw/zinc/74/82/62/630748262.db2.gz BYAQMEBCTPOMGG-AEJSXWLSSA-N 2 2 186.299 0.833 20 0 ACADLP CC(C)COCC[N@H+](C)C[C@@H](C)[NH3+] 232637749 630750897 /nfs/dbraw/zinc/75/08/97/630750897.db2.gz DAFZFQBYXNINGE-SNVBAGLBSA-N 2 2 188.315 0.938 20 0 ACADLP CC(C)COCC[N@@H+](C)C[C@@H](C)[NH3+] 232637749 630750900 /nfs/dbraw/zinc/75/09/00/630750900.db2.gz DAFZFQBYXNINGE-SNVBAGLBSA-N 2 2 188.315 0.938 20 0 ACADLP CC(C)COCC[N@H+](C)C[C@H](C)[NH3+] 232638416 630751204 /nfs/dbraw/zinc/75/12/04/630751204.db2.gz DAFZFQBYXNINGE-JTQLQIEISA-N 2 2 188.315 0.938 20 0 ACADLP CC(C)COCC[N@@H+](C)C[C@H](C)[NH3+] 232638416 630751210 /nfs/dbraw/zinc/75/12/10/630751210.db2.gz DAFZFQBYXNINGE-JTQLQIEISA-N 2 2 188.315 0.938 20 0 ACADLP [NH3+]C1CC([NH2+][C@@H]2CCC[C@@H]([NH3+])C2)C1 906509923 630751607 /nfs/dbraw/zinc/75/16/07/630751607.db2.gz CTJUJIPJRYICDE-PRWFHZCQSA-N 3 2 183.299 0.336 20 0 ACADLP CC(C)[C@@H](C[NH3+])C[NH2+]C1CC([NH3+])C1 906511491 630751617 /nfs/dbraw/zinc/75/16/17/630751617.db2.gz XOXCQMJSZPLDMD-IDKOKCKLSA-N 3 2 185.315 0.297 20 0 ACADLP Cc1noc(C)c1C[NH2+][C@H]1C[C@H]([NH3+])C1 906508651 630751621 /nfs/dbraw/zinc/75/16/21/630751621.db2.gz SNBQGDXNOGYSSD-KYZUINATSA-N 2 2 195.266 0.871 20 0 ACADLP C[C@@H](C[C@@H]1CCC[NH2+]1)[NH2+]C1CC([NH3+])C1 906511447 630751642 /nfs/dbraw/zinc/75/16/42/630751642.db2.gz UFJDNNLBEQRVAI-XEAZBWPWSA-N 3 2 197.326 0.596 20 0 ACADLP [NH3+]C1CC([NH2+][C@H]2CCC[NH2+]CC2)C1 906510007 630751839 /nfs/dbraw/zinc/75/18/39/630751839.db2.gz HAJOZPBNGGLUIE-KYHHOPLUSA-N 3 2 183.299 0.208 20 0 ACADLP [NH3+]C1CC([NH2+][C@@H]2CCC[C@H]([NH3+])C2)C1 906509924 630752121 /nfs/dbraw/zinc/75/21/21/630752121.db2.gz CTJUJIPJRYICDE-QGVKSAJWSA-N 3 2 183.299 0.336 20 0 ACADLP CC(C)[C@H](C[NH3+])C[NH2+]C1CC([NH3+])C1 906511492 630752159 /nfs/dbraw/zinc/75/21/59/630752159.db2.gz XOXCQMJSZPLDMD-XNWIYYODSA-N 3 2 185.315 0.297 20 0 ACADLP C[C@H](C[C@H]1CCC[NH2+]1)[NH2+]C1CC([NH3+])C1 906511444 630752268 /nfs/dbraw/zinc/75/22/68/630752268.db2.gz UFJDNNLBEQRVAI-BZCXBAJXSA-N 3 2 197.326 0.596 20 0 ACADLP Cc1cc(C[NH2+]C2CC([NH3+])C2)nn1C 906510907 630752563 /nfs/dbraw/zinc/75/25/63/630752563.db2.gz NVXUXNPYXKLUBG-UHFFFAOYSA-N 2 2 194.282 0.308 20 0 ACADLP [NH3+]C1CC([NH2+][C@H]2CCC[C@@H]([NH3+])C2)C1 906509925 630752774 /nfs/dbraw/zinc/75/27/74/630752774.db2.gz CTJUJIPJRYICDE-RJQCTPFPSA-N 3 2 183.299 0.336 20 0 ACADLP C[C@@]1(C[NH2+]C2CC([NH3+])C2)CCC[NH2+]C1 906510574 630752806 /nfs/dbraw/zinc/75/28/06/630752806.db2.gz MDLNDZNGSXBOJJ-VQXHTEKXSA-N 3 2 197.326 0.455 20 0 ACADLP C[C@]1(C[NH2+]C2CC([NH3+])C2)CCC[NH2+]C1 906510573 630753028 /nfs/dbraw/zinc/75/30/28/630753028.db2.gz MDLNDZNGSXBOJJ-ILDUYXDCSA-N 3 2 197.326 0.455 20 0 ACADLP [NH3+]C1CC([NH2+][C@H]2CCC[C@H]([NH3+])C2)C1 906509922 630753087 /nfs/dbraw/zinc/75/30/87/630753087.db2.gz CTJUJIPJRYICDE-FMLYDFSMSA-N 3 2 183.299 0.336 20 0 ACADLP C[C@H](C[C@@H]1CCC[NH2+]1)[NH2+]C1CC([NH3+])C1 906511446 630753137 /nfs/dbraw/zinc/75/31/37/630753137.db2.gz UFJDNNLBEQRVAI-VKAADOFISA-N 3 2 197.326 0.596 20 0 ACADLP [NH3+]C1CC([NH2+][C@@H]2CCC[NH2+]CC2)C1 906510005 630753328 /nfs/dbraw/zinc/75/33/28/630753328.db2.gz HAJOZPBNGGLUIE-HWOCKDDLSA-N 3 2 183.299 0.208 20 0 ACADLP CCn1ccnc1C[NH2+][C@H]1C[C@H]([NH3+])C1 906508287 630753593 /nfs/dbraw/zinc/75/35/93/630753593.db2.gz KZTMZCLEVGRZNF-KYZUINATSA-N 2 2 194.282 0.482 20 0 ACADLP C[C@@H](C[C@H]1CCC[NH2+]1)[NH2+]C1CC([NH3+])C1 906511445 630753707 /nfs/dbraw/zinc/75/37/07/630753707.db2.gz UFJDNNLBEQRVAI-QPBDYMMBSA-N 3 2 197.326 0.596 20 0 ACADLP C1C[C@@H]([NH2+][C@@H]2CCO[C@H]2C2CC2)C[NH2+]1 232459531 630777810 /nfs/dbraw/zinc/77/78/10/630777810.db2.gz RGKFRQLFVWJPDF-MXWKQRLJSA-N 2 2 196.294 0.505 20 0 ACADLP C[C@H]1CC[C@H](C[N@@H+]2CCC[C@H]([NH3+])C2)O1 149748350 630781313 /nfs/dbraw/zinc/78/13/13/630781313.db2.gz ZCYUGLZQZPQHPY-GARJFASQSA-N 2 2 198.310 0.977 20 0 ACADLP C[C@H]1CC[C@H](C[N@H+]2CCC[C@H]([NH3+])C2)O1 149748350 630781321 /nfs/dbraw/zinc/78/13/21/630781321.db2.gz ZCYUGLZQZPQHPY-GARJFASQSA-N 2 2 198.310 0.977 20 0 ACADLP C[C@H]1CC[C@@H](C[N@@H+]2CCC[C@H]([NH3+])C2)O1 149748770 630781945 /nfs/dbraw/zinc/78/19/45/630781945.db2.gz ZCYUGLZQZPQHPY-DCAQKATOSA-N 2 2 198.310 0.977 20 0 ACADLP C[C@H]1CC[C@@H](C[N@H+]2CCC[C@H]([NH3+])C2)O1 149748770 630781948 /nfs/dbraw/zinc/78/19/48/630781948.db2.gz ZCYUGLZQZPQHPY-DCAQKATOSA-N 2 2 198.310 0.977 20 0 ACADLP COC[C@@H](C)[N@@H+](C)C[C@@H](C)[NH3+] 156538264 630830358 /nfs/dbraw/zinc/83/03/58/630830358.db2.gz ZHGBOZSYRDVPFK-HTQZYQBOSA-N 2 2 160.261 0.300 20 0 ACADLP CCC[N@H+](C[C@H](C)O)[C@H]1CC[NH2+]C1 233082082 630824576 /nfs/dbraw/zinc/82/45/76/630824576.db2.gz HDVKSNMLRIQZDM-UWVGGRQHSA-N 2 2 186.299 0.441 20 0 ACADLP CCC[N@@H+](C[C@H](C)O)[C@H]1CC[NH2+]C1 233082082 630824579 /nfs/dbraw/zinc/82/45/79/630824579.db2.gz HDVKSNMLRIQZDM-UWVGGRQHSA-N 2 2 186.299 0.441 20 0 ACADLP CCC[N@H+](C[C@@H](C)O)[C@H]1CC[NH2+]C1 233057973 630825391 /nfs/dbraw/zinc/82/53/91/630825391.db2.gz HDVKSNMLRIQZDM-ZJUUUORDSA-N 2 2 186.299 0.441 20 0 ACADLP CCC[N@@H+](C[C@@H](C)O)[C@H]1CC[NH2+]C1 233057973 630825394 /nfs/dbraw/zinc/82/53/94/630825394.db2.gz HDVKSNMLRIQZDM-ZJUUUORDSA-N 2 2 186.299 0.441 20 0 ACADLP CC[N@H+](C[C@@H](C)O)[C@H]1CC[NH2+]C1 233486958 630827233 /nfs/dbraw/zinc/82/72/33/630827233.db2.gz HLJCGNJCDFXRHN-BDAKNGLRSA-N 2 2 172.272 0.051 20 0 ACADLP CC[N@@H+](C[C@@H](C)O)[C@H]1CC[NH2+]C1 233486958 630827239 /nfs/dbraw/zinc/82/72/39/630827239.db2.gz HLJCGNJCDFXRHN-BDAKNGLRSA-N 2 2 172.272 0.051 20 0 ACADLP CC[N@H+](C[C@H](C)O)[C@H]1CC[NH2+]C1 233467797 630829502 /nfs/dbraw/zinc/82/95/02/630829502.db2.gz HLJCGNJCDFXRHN-IUCAKERBSA-N 2 2 172.272 0.051 20 0 ACADLP CC[N@@H+](C[C@H](C)O)[C@H]1CC[NH2+]C1 233467797 630829507 /nfs/dbraw/zinc/82/95/07/630829507.db2.gz HLJCGNJCDFXRHN-IUCAKERBSA-N 2 2 172.272 0.051 20 0 ACADLP COC[C@@H](C)[N@H+](C)C[C@@H](C)[NH3+] 156538264 630830341 /nfs/dbraw/zinc/83/03/41/630830341.db2.gz ZHGBOZSYRDVPFK-HTQZYQBOSA-N 2 2 160.261 0.300 20 0 ACADLP COC[C@@H](C)[N@H+](C)C[C@H](C)[NH3+] 156538117 630830736 /nfs/dbraw/zinc/83/07/36/630830736.db2.gz ZHGBOZSYRDVPFK-JGVFFNPUSA-N 2 2 160.261 0.300 20 0 ACADLP COC[C@@H](C)[N@@H+](C)C[C@H](C)[NH3+] 156538117 630830743 /nfs/dbraw/zinc/83/07/43/630830743.db2.gz ZHGBOZSYRDVPFK-JGVFFNPUSA-N 2 2 160.261 0.300 20 0 ACADLP C[C@H](CCO)[NH2+]CC[NH+]1CCCC1 226719272 630852427 /nfs/dbraw/zinc/85/24/27/630852427.db2.gz DAPPMAGEEUFLJF-SNVBAGLBSA-N 2 2 186.299 0.443 20 0 ACADLP CC[C@H](O)C[N@@H+]1CC[C@@H]([NH2+]C)C1 227670529 630858793 /nfs/dbraw/zinc/85/87/93/630858793.db2.gz XBYBBTHFZJCXFX-BDAKNGLRSA-N 2 2 172.272 0.051 20 0 ACADLP CC[C@H](O)C[N@H+]1CC[C@@H]([NH2+]C)C1 227670529 630858802 /nfs/dbraw/zinc/85/88/02/630858802.db2.gz XBYBBTHFZJCXFX-BDAKNGLRSA-N 2 2 172.272 0.051 20 0 ACADLP C[NH2+]CC[N@H+](C)CC1CCC1 61457213 630869800 /nfs/dbraw/zinc/86/98/00/630869800.db2.gz DNCOJSNQVWOHRS-UHFFFAOYSA-N 2 2 156.273 0.938 20 0 ACADLP C[NH2+]CC[N@@H+](C)CC1CCC1 61457213 630869805 /nfs/dbraw/zinc/86/98/05/630869805.db2.gz DNCOJSNQVWOHRS-UHFFFAOYSA-N 2 2 156.273 0.938 20 0 ACADLP C[C@H](CO)[N@H+](C)CCn1cc[nH+]c1 158893430 630878552 /nfs/dbraw/zinc/87/85/52/630878552.db2.gz LCPDWUYADWZIBK-SECBINFHSA-N 2 2 183.255 0.196 20 0 ACADLP C[C@H](CO)[N@@H+](C)CCn1cc[nH+]c1 158893430 630878555 /nfs/dbraw/zinc/87/85/55/630878555.db2.gz LCPDWUYADWZIBK-SECBINFHSA-N 2 2 183.255 0.196 20 0 ACADLP CCO[C@H]1CC[N@H+](C[C@H]2CCC[NH2+]2)C1 701721438 630886995 /nfs/dbraw/zinc/88/69/95/630886995.db2.gz YJVJNLVXKWRDEF-MNOVXSKESA-N 2 2 198.310 0.849 20 0 ACADLP CCO[C@H]1CC[N@@H+](C[C@H]2CCC[NH2+]2)C1 701721438 630886998 /nfs/dbraw/zinc/88/69/98/630886998.db2.gz YJVJNLVXKWRDEF-MNOVXSKESA-N 2 2 198.310 0.849 20 0 ACADLP CCO[C@H]1CC[N@H+](CC[NH3+])C1 701711640 630887795 /nfs/dbraw/zinc/88/77/95/630887795.db2.gz VVJNRBMYSAFNSG-QMMMGPOBSA-N 2 2 158.245 0.056 20 0 ACADLP CCO[C@H]1CC[N@@H+](CC[NH3+])C1 701711640 630887799 /nfs/dbraw/zinc/88/77/99/630887799.db2.gz VVJNRBMYSAFNSG-QMMMGPOBSA-N 2 2 158.245 0.056 20 0 ACADLP C[C@H]([NH3+])C[N@H+](C)CCc1ccnn1C 230899871 630888451 /nfs/dbraw/zinc/88/84/51/630888451.db2.gz NBHWBOUZZYYINE-VIFPVBQESA-N 2 2 196.298 0.242 20 0 ACADLP C[C@H]([NH3+])C[N@@H+](C)CCc1ccnn1C 230899871 630888457 /nfs/dbraw/zinc/88/84/57/630888457.db2.gz NBHWBOUZZYYINE-VIFPVBQESA-N 2 2 196.298 0.242 20 0 ACADLP C[C@H]([NH3+])C[N@H+](C)CCc1cnn(C)c1 230899859 630888931 /nfs/dbraw/zinc/88/89/31/630888931.db2.gz KJVFZPKNGFPQLK-VIFPVBQESA-N 2 2 196.298 0.242 20 0 ACADLP C[C@H]([NH3+])C[N@@H+](C)CCc1cnn(C)c1 230899859 630888937 /nfs/dbraw/zinc/88/89/37/630888937.db2.gz KJVFZPKNGFPQLK-VIFPVBQESA-N 2 2 196.298 0.242 20 0 ACADLP C[C@@H]([NH3+])C[N@H+](C)CCc1ccnn1C 230899866 630889398 /nfs/dbraw/zinc/88/93/98/630889398.db2.gz NBHWBOUZZYYINE-SECBINFHSA-N 2 2 196.298 0.242 20 0 ACADLP C[C@@H]([NH3+])C[N@@H+](C)CCc1ccnn1C 230899866 630889401 /nfs/dbraw/zinc/88/94/01/630889401.db2.gz NBHWBOUZZYYINE-SECBINFHSA-N 2 2 196.298 0.242 20 0 ACADLP C[C@@H]([NH3+])C[N@H+](C)CCc1cnn(C)c1 230899854 630889467 /nfs/dbraw/zinc/88/94/67/630889467.db2.gz KJVFZPKNGFPQLK-SECBINFHSA-N 2 2 196.298 0.242 20 0 ACADLP C[C@@H]([NH3+])C[N@@H+](C)CCc1cnn(C)c1 230899854 630889471 /nfs/dbraw/zinc/88/94/71/630889471.db2.gz KJVFZPKNGFPQLK-SECBINFHSA-N 2 2 196.298 0.242 20 0 ACADLP [NH3+]CC(C[NH3+])NCCCC1CCC1 923359014 630893541 /nfs/dbraw/zinc/89/35/41/630893541.db2.gz IXLIPSUXUKBTCW-UHFFFAOYSA-N 2 2 185.315 0.442 20 0 ACADLP CC(C)CC[C@@H](O)C[N@H+](C)CC[NH3+] 923380098 630895683 /nfs/dbraw/zinc/89/56/83/630895683.db2.gz VAGDTQOWKNIOLZ-SNVBAGLBSA-N 2 2 188.315 0.674 20 0 ACADLP CC(C)CC[C@@H](O)C[N@@H+](C)CC[NH3+] 923380098 630895687 /nfs/dbraw/zinc/89/56/87/630895687.db2.gz VAGDTQOWKNIOLZ-SNVBAGLBSA-N 2 2 188.315 0.674 20 0 ACADLP CC[C@H](O)C[N@@H+]1CC[C@@]2(CCC[NH2+]2)C1 923379720 630895751 /nfs/dbraw/zinc/89/57/51/630895751.db2.gz LOFPKSOBWQBLMH-QWRGUYRKSA-N 2 2 198.310 0.585 20 0 ACADLP CC[C@H](O)C[N@H+]1CC[C@@]2(CCC[NH2+]2)C1 923379720 630895754 /nfs/dbraw/zinc/89/57/54/630895754.db2.gz LOFPKSOBWQBLMH-QWRGUYRKSA-N 2 2 198.310 0.585 20 0 ACADLP CC(C)=CCCNC(C[NH3+])C[NH3+] 923359823 630896326 /nfs/dbraw/zinc/89/63/26/630896326.db2.gz ULJJIBLPRCUBSS-UHFFFAOYSA-N 2 2 171.288 0.218 20 0 ACADLP CC[C@H](O)C[N@@H+]1CC[C@]2(CCC[NH2+]2)C1 923379723 630896626 /nfs/dbraw/zinc/89/66/26/630896626.db2.gz LOFPKSOBWQBLMH-WDEREUQCSA-N 2 2 198.310 0.585 20 0 ACADLP CC[C@H](O)C[N@H+]1CC[C@]2(CCC[NH2+]2)C1 923379723 630896629 /nfs/dbraw/zinc/89/66/29/630896629.db2.gz LOFPKSOBWQBLMH-WDEREUQCSA-N 2 2 198.310 0.585 20 0 ACADLP C[C@H](O)C[N@@H+]1CC[C@@]2(CCC[NH2+]2)C1 923379678 630896882 /nfs/dbraw/zinc/89/68/82/630896882.db2.gz LKJPNUPKBUKNTK-UWVGGRQHSA-N 2 2 184.283 0.195 20 0 ACADLP C[C@H](O)C[N@H+]1CC[C@@]2(CCC[NH2+]2)C1 923379678 630896886 /nfs/dbraw/zinc/89/68/86/630896886.db2.gz LKJPNUPKBUKNTK-UWVGGRQHSA-N 2 2 184.283 0.195 20 0 ACADLP C[C@@H](O)C[N@@H+]1CC[C@]2(CCC[NH2+]2)C1 923379675 630897037 /nfs/dbraw/zinc/89/70/37/630897037.db2.gz LKJPNUPKBUKNTK-NXEZZACHSA-N 2 2 184.283 0.195 20 0 ACADLP C[C@@H](O)C[N@H+]1CC[C@]2(CCC[NH2+]2)C1 923379675 630897038 /nfs/dbraw/zinc/89/70/38/630897038.db2.gz LKJPNUPKBUKNTK-NXEZZACHSA-N 2 2 184.283 0.195 20 0 ACADLP C[C@@H](O)C[N@@H+]1CC[C@@]2(CCC[NH2+]2)C1 923379682 630897142 /nfs/dbraw/zinc/89/71/42/630897142.db2.gz LKJPNUPKBUKNTK-ZJUUUORDSA-N 2 2 184.283 0.195 20 0 ACADLP C[C@@H](O)C[N@H+]1CC[C@@]2(CCC[NH2+]2)C1 923379682 630897143 /nfs/dbraw/zinc/89/71/43/630897143.db2.gz LKJPNUPKBUKNTK-ZJUUUORDSA-N 2 2 184.283 0.195 20 0 ACADLP CC(C)CC[C@H](O)C[N@H+](C)CC[NH3+] 923380096 630897150 /nfs/dbraw/zinc/89/71/50/630897150.db2.gz VAGDTQOWKNIOLZ-JTQLQIEISA-N 2 2 188.315 0.674 20 0 ACADLP CC(C)CC[C@H](O)C[N@@H+](C)CC[NH3+] 923380096 630897151 /nfs/dbraw/zinc/89/71/51/630897151.db2.gz VAGDTQOWKNIOLZ-JTQLQIEISA-N 2 2 188.315 0.674 20 0 ACADLP C[C@H](O)C[N@H+]1CC[C@]2(CCC[NH2+]2)C1 923379680 630897286 /nfs/dbraw/zinc/89/72/86/630897286.db2.gz LKJPNUPKBUKNTK-VHSXEESVSA-N 2 2 184.283 0.195 20 0 ACADLP C[C@H](O)C[N@@H+]1CC[C@]2(CCC[NH2+]2)C1 923379680 630897282 /nfs/dbraw/zinc/89/72/82/630897282.db2.gz LKJPNUPKBUKNTK-VHSXEESVSA-N 2 2 184.283 0.195 20 0 ACADLP NC(=[NH2+])NCc1c[nH+]c2n1CCCC2 849002190 630957226 /nfs/dbraw/zinc/95/72/26/630957226.db2.gz SRJZVKLYMKOTRS-UHFFFAOYSA-N 2 2 193.254 0.202 20 0 ACADLP CCC(CC)[NH2+][C@@H]1C[NH2+]CCOC1 925490591 630998364 /nfs/dbraw/zinc/99/83/64/630998364.db2.gz GFONDWGACYENDN-SNVBAGLBSA-N 2 2 186.299 0.753 20 0 ACADLP CCC(CC)[NH2+][C@H]1C[NH2+]CCOC1 925490588 630998526 /nfs/dbraw/zinc/99/85/26/630998526.db2.gz GFONDWGACYENDN-JTQLQIEISA-N 2 2 186.299 0.753 20 0 ACADLP CCC[C@H](C)[NH2+][C@@H]1C[NH2+]CCOC1 925487373 631040223 /nfs/dbraw/zinc/04/02/23/631040223.db2.gz CJMZBRMZPPJPNK-VHSXEESVSA-N 2 2 186.299 0.753 20 0 ACADLP C[C@@H]1C[C@H]1C[NH2+][C@H]1C[NH2+]CCOC1 925483287 631040366 /nfs/dbraw/zinc/04/03/66/631040366.db2.gz YGYFLZSAHKQCAE-UTLUCORTSA-N 2 2 184.283 0.220 20 0 ACADLP C[C@@H]1C[C@@H]1C[NH2+][C@H]1C[NH2+]CCOC1 925483284 631041182 /nfs/dbraw/zinc/04/11/82/631041182.db2.gz YGYFLZSAHKQCAE-BBBLOLIVSA-N 2 2 184.283 0.220 20 0 ACADLP CCC[C@@H](C)[NH2+][C@@H]1C[NH2+]CCOC1 925487353 631041337 /nfs/dbraw/zinc/04/13/37/631041337.db2.gz CJMZBRMZPPJPNK-NXEZZACHSA-N 2 2 186.299 0.753 20 0 ACADLP C[C@@H]1C[C@@H]1C[NH2+][C@@H]1C[NH2+]CCOC1 925483286 631041369 /nfs/dbraw/zinc/04/13/69/631041369.db2.gz YGYFLZSAHKQCAE-OPRDCNLKSA-N 2 2 184.283 0.220 20 0 ACADLP CCC[C@@H](C)[NH2+][C@H]1C[NH2+]CCOC1 925487375 631041658 /nfs/dbraw/zinc/04/16/58/631041658.db2.gz CJMZBRMZPPJPNK-ZJUUUORDSA-N 2 2 186.299 0.753 20 0 ACADLP C[C@@H]1C[C@H]1C[NH2+][C@@H]1C[NH2+]CCOC1 925483285 631042049 /nfs/dbraw/zinc/04/20/49/631042049.db2.gz YGYFLZSAHKQCAE-KXUCPTDWSA-N 2 2 184.283 0.220 20 0 ACADLP CCC[C@H](C)[NH2+][C@H]1C[NH2+]CCOC1 925487371 631042177 /nfs/dbraw/zinc/04/21/77/631042177.db2.gz CJMZBRMZPPJPNK-UWVGGRQHSA-N 2 2 186.299 0.753 20 0 ACADLP C1CC(C[NH2+][C@H]2C[NH2+]CCOC2)C1 925487419 631042366 /nfs/dbraw/zinc/04/23/66/631042366.db2.gz WERGYTQBTCKMLS-JTQLQIEISA-N 2 2 184.283 0.365 20 0 ACADLP C1CC(C[NH2+][C@@H]2C[NH2+]CCOC2)C1 925487421 631042452 /nfs/dbraw/zinc/04/24/52/631042452.db2.gz WERGYTQBTCKMLS-SNVBAGLBSA-N 2 2 184.283 0.365 20 0 ACADLP CC1(C)C[C@@H]1C[NH2+][C@H]1C[NH2+]CCOC1 925594882 631042746 /nfs/dbraw/zinc/04/27/46/631042746.db2.gz IMYSEQHYPXRHHQ-ZJUUUORDSA-N 2 2 198.310 0.611 20 0 ACADLP CCCCC[NH2+][C@H]1C[NH2+]CCOC1 925500137 631042885 /nfs/dbraw/zinc/04/28/85/631042885.db2.gz ACACONSVEMGPRB-JTQLQIEISA-N 2 2 186.299 0.755 20 0 ACADLP CCC1(C[NH2+][C@H]2C[NH2+]CCOC2)CC1 925581410 631042927 /nfs/dbraw/zinc/04/29/27/631042927.db2.gz ZDHZGZYBLPZSOQ-JTQLQIEISA-N 2 2 198.310 0.755 20 0 ACADLP CC(C)C[NH2+][C@@H]1C[NH2+]CCOC1 925492044 631043099 /nfs/dbraw/zinc/04/30/99/631043099.db2.gz FEAKEAYMAVUQAK-SECBINFHSA-N 2 2 172.272 0.220 20 0 ACADLP C[C@H]([NH2+][C@@H]1C[NH2+]CCOC1)C1CC1 925588427 631043209 /nfs/dbraw/zinc/04/32/09/631043209.db2.gz PVROGHQXOAQKJJ-WCBMZHEXSA-N 2 2 184.283 0.363 20 0 ACADLP C(C[NH2+][C@H]1C[NH2+]CCOC1)CC1CC1 925567469 631043297 /nfs/dbraw/zinc/04/32/97/631043297.db2.gz DLUXGHIHWLKBKA-NSHDSACASA-N 2 2 198.310 0.755 20 0 ACADLP C1COC[C@H]([NH2+]CCC2CC2)C[NH2+]1 925571519 631043538 /nfs/dbraw/zinc/04/35/38/631043538.db2.gz CGEAJOJTAMNZMG-SNVBAGLBSA-N 2 2 184.283 0.365 20 0 ACADLP CCOCC[NH2+][C@@H]1CC[NH2+]C1(C)C 925559827 631043553 /nfs/dbraw/zinc/04/35/53/631043553.db2.gz CXTXJLCGZQPHQX-SECBINFHSA-N 2 2 186.299 0.753 20 0 ACADLP C[C@@H]1CCC[C@H]1[NH2+][C@@H]1C[NH2+]CCOC1 925592473 631043564 /nfs/dbraw/zinc/04/35/64/631043564.db2.gz IGFVMJAKUNYXPE-GMTAPVOTSA-N 2 2 198.310 0.753 20 0 ACADLP CC1(C)C[C@H]1C[NH2+][C@@H]1C[NH2+]CCOC1 925594881 631043576 /nfs/dbraw/zinc/04/35/76/631043576.db2.gz IMYSEQHYPXRHHQ-VHSXEESVSA-N 2 2 198.310 0.611 20 0 ACADLP C(C[NH2+][C@@H]1C[NH2+]CCOC1)CC1CC1 925567467 631043691 /nfs/dbraw/zinc/04/36/91/631043691.db2.gz DLUXGHIHWLKBKA-LLVKDONJSA-N 2 2 198.310 0.755 20 0 ACADLP C1CCC(C[NH2+][C@H]2C[NH2+]CCOC2)C1 925567353 631044055 /nfs/dbraw/zinc/04/40/55/631044055.db2.gz JMXFMRWTUFMDDH-NSHDSACASA-N 2 2 198.310 0.755 20 0 ACADLP C1CC(CC[NH2+][C@@H]2C[NH2+]CCOC2)C1 925580096 631044131 /nfs/dbraw/zinc/04/41/31/631044131.db2.gz JTVUZEQNNVYJJQ-LLVKDONJSA-N 2 2 198.310 0.755 20 0 ACADLP C[C@@H]([NH2+][C@@H]1C[NH2+]CCOC1)C1CC1 925588424 631044012 /nfs/dbraw/zinc/04/40/12/631044012.db2.gz PVROGHQXOAQKJJ-PSASIEDQSA-N 2 2 184.283 0.363 20 0 ACADLP C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1C[NH2+]CCOC1 925592474 631044198 /nfs/dbraw/zinc/04/41/98/631044198.db2.gz IGFVMJAKUNYXPE-MXWKQRLJSA-N 2 2 198.310 0.753 20 0 ACADLP C1COC[C@@H]([NH2+]CCC2CC2)C[NH2+]1 925571518 631044283 /nfs/dbraw/zinc/04/42/83/631044283.db2.gz CGEAJOJTAMNZMG-JTQLQIEISA-N 2 2 184.283 0.365 20 0 ACADLP CCOCC[NH2+][C@H]1CC[NH2+]C1(C)C 925559828 631044312 /nfs/dbraw/zinc/04/43/12/631044312.db2.gz CXTXJLCGZQPHQX-VIFPVBQESA-N 2 2 186.299 0.753 20 0 ACADLP C[C@@H]1CCC[C@@H]1[NH2+][C@H]1C[NH2+]CCOC1 925592476 631044334 /nfs/dbraw/zinc/04/43/34/631044334.db2.gz IGFVMJAKUNYXPE-VWYCJHECSA-N 2 2 198.310 0.753 20 0 ACADLP COCC[NH2+][C@@H]1CC[NH2+]C1(C)C 925500221 631044428 /nfs/dbraw/zinc/04/44/28/631044428.db2.gz BIIAAVHQNRWXHW-MRVPVSSYSA-N 2 2 172.272 0.363 20 0 ACADLP CC1(C[NH2+][C@H]2C[NH2+]CCOC2)CC1 925577094 631044515 /nfs/dbraw/zinc/04/45/15/631044515.db2.gz ODAQAADOZKAAHE-VIFPVBQESA-N 2 2 184.283 0.365 20 0 ACADLP CC1(C)C[C@@H]1C[NH2+][C@@H]1C[NH2+]CCOC1 925594879 631044528 /nfs/dbraw/zinc/04/45/28/631044528.db2.gz IMYSEQHYPXRHHQ-NXEZZACHSA-N 2 2 198.310 0.611 20 0 ACADLP C1CCC(C[NH2+][C@@H]2C[NH2+]CCOC2)C1 925567351 631044584 /nfs/dbraw/zinc/04/45/84/631044584.db2.gz JMXFMRWTUFMDDH-LLVKDONJSA-N 2 2 198.310 0.755 20 0 ACADLP CCC1(C[NH2+][C@@H]2C[NH2+]CCOC2)CC1 925581411 631044651 /nfs/dbraw/zinc/04/46/51/631044651.db2.gz ZDHZGZYBLPZSOQ-SNVBAGLBSA-N 2 2 198.310 0.755 20 0 ACADLP CC1(C[NH2+][C@@H]2C[NH2+]CCOC2)CC1 925577093 631044736 /nfs/dbraw/zinc/04/47/36/631044736.db2.gz ODAQAADOZKAAHE-SECBINFHSA-N 2 2 184.283 0.365 20 0 ACADLP CC(C)C[NH2+][C@H]1C[NH2+]CCOC1 925492064 631044872 /nfs/dbraw/zinc/04/48/72/631044872.db2.gz FEAKEAYMAVUQAK-VIFPVBQESA-N 2 2 172.272 0.220 20 0 ACADLP CCCCC[NH2+][C@@H]1C[NH2+]CCOC1 925500138 631045161 /nfs/dbraw/zinc/04/51/61/631045161.db2.gz ACACONSVEMGPRB-SNVBAGLBSA-N 2 2 186.299 0.755 20 0 ACADLP C[C@@H]1CCC[C@H]1[NH2+][C@H]1C[NH2+]CCOC1 925592475 631045182 /nfs/dbraw/zinc/04/51/82/631045182.db2.gz IGFVMJAKUNYXPE-OUAUKWLOSA-N 2 2 198.310 0.753 20 0 ACADLP COCC[NH2+][C@H]1CC[NH2+]C1(C)C 925500222 631045276 /nfs/dbraw/zinc/04/52/76/631045276.db2.gz BIIAAVHQNRWXHW-QMMMGPOBSA-N 2 2 172.272 0.363 20 0 ACADLP C[C@@H]([NH2+][C@H]1C[NH2+]CCOC1)C1CC1 925588425 631045360 /nfs/dbraw/zinc/04/53/60/631045360.db2.gz PVROGHQXOAQKJJ-SCZZXKLOSA-N 2 2 184.283 0.363 20 0 ACADLP C1CC(CC[NH2+][C@H]2C[NH2+]CCOC2)C1 925580097 631045398 /nfs/dbraw/zinc/04/53/98/631045398.db2.gz JTVUZEQNNVYJJQ-NSHDSACASA-N 2 2 198.310 0.755 20 0 ACADLP C[C@H]([NH2+][C@H]1C[NH2+]CCOC1)C1CC1 925588428 631045468 /nfs/dbraw/zinc/04/54/68/631045468.db2.gz PVROGHQXOAQKJJ-WPRPVWTQSA-N 2 2 184.283 0.363 20 0 ACADLP CC1(C)C[C@H]1C[NH2+][C@H]1C[NH2+]CCOC1 925594880 631045504 /nfs/dbraw/zinc/04/55/04/631045504.db2.gz IMYSEQHYPXRHHQ-UWVGGRQHSA-N 2 2 198.310 0.611 20 0 ACADLP CC[C@@H]1C[C@H]1C[NH2+][C@@H]1C[NH2+]CCOC1 925683148 631045938 /nfs/dbraw/zinc/04/59/38/631045938.db2.gz LLQPRUFQTYTVJI-OUAUKWLOSA-N 2 2 198.310 0.611 20 0 ACADLP CC1(C)CC[C@H]1[NH2+][C@@H]1C[NH2+]CCOC1 925673332 631046137 /nfs/dbraw/zinc/04/61/37/631046137.db2.gz NLOCFPSCVAGKAM-NXEZZACHSA-N 2 2 198.310 0.753 20 0 ACADLP CC(C)=CCC[NH2+][C@@H]1C[NH2+]CCOC1 925658596 631046410 /nfs/dbraw/zinc/04/64/10/631046410.db2.gz QCTAUCODJYTIKB-LLVKDONJSA-N 2 2 198.310 0.921 20 0 ACADLP C[C@@H]1CC[C@@H]([NH2+][C@H]2C[NH2+]CCOC2)C1 925644736 631046419 /nfs/dbraw/zinc/04/64/19/631046419.db2.gz LIAFNZOKDIDVJL-MXWKQRLJSA-N 2 2 198.310 0.753 20 0 ACADLP CC1(C)CC[C@@H]1[NH2+][C@@H]1C[NH2+]CCOC1 925673335 631046432 /nfs/dbraw/zinc/04/64/32/631046432.db2.gz NLOCFPSCVAGKAM-ZJUUUORDSA-N 2 2 198.310 0.753 20 0 ACADLP CC1(C)[NH2+]CC[C@H]1[NH2+][C@H]1CCOC1 925623220 631046477 /nfs/dbraw/zinc/04/64/77/631046477.db2.gz RIOSDQKSCNZDKQ-DTWKUNHWSA-N 2 2 184.283 0.505 20 0 ACADLP C[C@@H]1CC[C@H]([NH2+][C@H]2C[NH2+]CCOC2)C1 925644738 631047010 /nfs/dbraw/zinc/04/70/10/631047010.db2.gz LIAFNZOKDIDVJL-VWYCJHECSA-N 2 2 198.310 0.753 20 0 ACADLP C[C@@H]1CC[C@@H]([NH2+][C@@H]2C[NH2+]CCOC2)C1 925644735 631047058 /nfs/dbraw/zinc/04/70/58/631047058.db2.gz LIAFNZOKDIDVJL-GMTAPVOTSA-N 2 2 198.310 0.753 20 0 ACADLP C[C@@H]([NH2+][C@@H]1C[NH2+]CCOC1)C1CCC1 925627767 631047389 /nfs/dbraw/zinc/04/73/89/631047389.db2.gz ZZGFVLYZMIBGDG-MWLCHTKSSA-N 2 2 198.310 0.753 20 0 ACADLP CC1(C)[NH2+]CC[C@@H]1[NH2+][C@H]1CCOC1 925623221 631047436 /nfs/dbraw/zinc/04/74/36/631047436.db2.gz RIOSDQKSCNZDKQ-IUCAKERBSA-N 2 2 184.283 0.505 20 0 ACADLP C[C@H]([NH2+][C@@H]1C[NH2+]CCOC1)C1CCC1 925627765 631047454 /nfs/dbraw/zinc/04/74/54/631047454.db2.gz ZZGFVLYZMIBGDG-GXSJLCMTSA-N 2 2 198.310 0.753 20 0 ACADLP CC1(C)[NH2+]CC[C@@H]1[NH2+][C@@H]1CCOC1 925623219 631047483 /nfs/dbraw/zinc/04/74/83/631047483.db2.gz RIOSDQKSCNZDKQ-BDAKNGLRSA-N 2 2 184.283 0.505 20 0 ACADLP CC(C)C1([NH2+][C@@H]2C[NH2+]CCOC2)CC1 925678836 631047499 /nfs/dbraw/zinc/04/74/99/631047499.db2.gz XLVXGKMAHKOZGD-SNVBAGLBSA-N 2 2 198.310 0.753 20 0 ACADLP CC(C)=CCC[NH2+][C@H]1C[NH2+]CCOC1 925658597 631047641 /nfs/dbraw/zinc/04/76/41/631047641.db2.gz QCTAUCODJYTIKB-NSHDSACASA-N 2 2 198.310 0.921 20 0 ACADLP C[C@@H]1CC[C@H]([NH2+][C@@H]2C[NH2+]CCOC2)C1 925644737 631047619 /nfs/dbraw/zinc/04/76/19/631047619.db2.gz LIAFNZOKDIDVJL-OUAUKWLOSA-N 2 2 198.310 0.753 20 0 ACADLP CC1(C)CC[C@H]1[NH2+][C@H]1C[NH2+]CCOC1 925673334 631047710 /nfs/dbraw/zinc/04/77/10/631047710.db2.gz NLOCFPSCVAGKAM-VHSXEESVSA-N 2 2 198.310 0.753 20 0 ACADLP CC1(C)CC[C@@H]1[NH2+][C@H]1C[NH2+]CCOC1 925673333 631047825 /nfs/dbraw/zinc/04/78/25/631047825.db2.gz NLOCFPSCVAGKAM-UWVGGRQHSA-N 2 2 198.310 0.753 20 0 ACADLP CC[C@@H]1C[C@H]1C[NH2+][C@H]1C[NH2+]CCOC1 925683149 631048010 /nfs/dbraw/zinc/04/80/10/631048010.db2.gz LLQPRUFQTYTVJI-VWYCJHECSA-N 2 2 198.310 0.611 20 0 ACADLP C[C@H]([NH2+][C@H]1C[NH2+]CCOC1)C1CCC1 925627768 631048027 /nfs/dbraw/zinc/04/80/27/631048027.db2.gz ZZGFVLYZMIBGDG-ONGXEEELSA-N 2 2 198.310 0.753 20 0 ACADLP CC1(C)[NH2+]CC[C@H]1[NH2+][C@@H]1CCOC1 925623222 631048192 /nfs/dbraw/zinc/04/81/92/631048192.db2.gz RIOSDQKSCNZDKQ-RKDXNWHRSA-N 2 2 184.283 0.505 20 0 ACADLP CC(C)C1([NH2+][C@H]2C[NH2+]CCOC2)CC1 925678835 631048280 /nfs/dbraw/zinc/04/82/80/631048280.db2.gz XLVXGKMAHKOZGD-JTQLQIEISA-N 2 2 198.310 0.753 20 0 ACADLP C[C@@H]([NH2+][C@H]1C[NH2+]CCOC1)C1CCC1 925627766 631048312 /nfs/dbraw/zinc/04/83/12/631048312.db2.gz ZZGFVLYZMIBGDG-KOLCDFICSA-N 2 2 198.310 0.753 20 0 ACADLP C[C@H]1CC[NH2+]C[C@H]1[NH2+]CCC(C)(C)[NH3+] 925737801 631049573 /nfs/dbraw/zinc/04/95/73/631049573.db2.gz LMMGHFSMHRFQGO-VHSXEESVSA-N 3 2 199.342 0.701 20 0 ACADLP CC1CC(C[NH2+][C@@H]2C[NH2+]CCOC2)C1 925722254 631049757 /nfs/dbraw/zinc/04/97/57/631049757.db2.gz UPQMXKUTMJVEGA-VQXHTEKXSA-N 2 2 198.310 0.611 20 0 ACADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CCC(C)(C)[NH3+] 925737802 631050161 /nfs/dbraw/zinc/05/01/61/631050161.db2.gz LMMGHFSMHRFQGO-ZJUUUORDSA-N 3 2 199.342 0.701 20 0 ACADLP CC1CC(C[NH2+][C@H]2C[NH2+]CCOC2)C1 925722252 631050832 /nfs/dbraw/zinc/05/08/32/631050832.db2.gz UPQMXKUTMJVEGA-ILDUYXDCSA-N 2 2 198.310 0.611 20 0 ACADLP C[C@H]1[NH2+]CCC[C@H]1[NH2+]CCC(C)(C)[NH3+] 925737980 631051652 /nfs/dbraw/zinc/05/16/52/631051652.db2.gz RZSSEUKCHWCAHP-NXEZZACHSA-N 3 2 199.342 0.844 20 0 ACADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2C[NH2+]C[C@H]2C)[C@@H](C)O1 925787660 631052164 /nfs/dbraw/zinc/05/21/64/631052164.db2.gz ZZTRGIDAFCHAPH-ISUQUUIWSA-N 2 2 198.310 0.750 20 0 ACADLP C1=C[C@H](C[NH2+][C@H]2C[NH2+]CCOC2)CC1 925733990 631052229 /nfs/dbraw/zinc/05/22/29/631052229.db2.gz YRDLTWKMFCZUBK-QWRGUYRKSA-N 2 2 196.294 0.531 20 0 ACADLP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]CCC(C)(C)[NH3+] 925737800 631052494 /nfs/dbraw/zinc/05/24/94/631052494.db2.gz LMMGHFSMHRFQGO-UWVGGRQHSA-N 3 2 199.342 0.701 20 0 ACADLP C1=C[C@@H](C[NH2+][C@H]2C[NH2+]CCOC2)CC1 925733989 631052558 /nfs/dbraw/zinc/05/25/58/631052558.db2.gz YRDLTWKMFCZUBK-MNOVXSKESA-N 2 2 196.294 0.531 20 0 ACADLP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]CCC(C)(C)[NH3+] 925737983 631052732 /nfs/dbraw/zinc/05/27/32/631052732.db2.gz RZSSEUKCHWCAHP-ZJUUUORDSA-N 3 2 199.342 0.844 20 0 ACADLP C[C@@H]1O[C@H](C)C[C@@H]1[NH2+][C@@H]1C[NH2+]C[C@H]1C 925787663 631053108 /nfs/dbraw/zinc/05/31/08/631053108.db2.gz ZZTRGIDAFCHAPH-SAVGLBRCSA-N 2 2 198.310 0.750 20 0 ACADLP C1=C[C@@H](C[NH2+][C@@H]2C[NH2+]CCOC2)CC1 925733988 631053805 /nfs/dbraw/zinc/05/38/05/631053805.db2.gz YRDLTWKMFCZUBK-GHMZBOCLSA-N 2 2 196.294 0.531 20 0 ACADLP C1=C[C@H](C[NH2+][C@@H]2C[NH2+]CCOC2)CC1 925733991 631053985 /nfs/dbraw/zinc/05/39/85/631053985.db2.gz YRDLTWKMFCZUBK-WDEREUQCSA-N 2 2 196.294 0.531 20 0 ACADLP C[C@@H]1O[C@H](C)C[C@H]1[NH2+][C@@H]1C[NH2+]C[C@H]1C 925787661 631054201 /nfs/dbraw/zinc/05/42/01/631054201.db2.gz ZZTRGIDAFCHAPH-KAMPLNKDSA-N 2 2 198.310 0.750 20 0 ACADLP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]CCC(C)(C)[NH3+] 925737981 631054248 /nfs/dbraw/zinc/05/42/48/631054248.db2.gz RZSSEUKCHWCAHP-UWVGGRQHSA-N 3 2 199.342 0.844 20 0 ACADLP C[C@@H]1C[C@H]([NH2+][C@@H]2C[NH2+]C[C@H]2C)[C@@H](C)O1 925787662 631054914 /nfs/dbraw/zinc/05/49/14/631054914.db2.gz ZZTRGIDAFCHAPH-MVCUBJFGSA-N 2 2 198.310 0.750 20 0 ACADLP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]CCC(C)(C)[NH3+] 925737982 631055128 /nfs/dbraw/zinc/05/51/28/631055128.db2.gz RZSSEUKCHWCAHP-VHSXEESVSA-N 3 2 199.342 0.844 20 0 ACADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CCC(C)(C)[NH3+] 925737799 631055180 /nfs/dbraw/zinc/05/51/80/631055180.db2.gz LMMGHFSMHRFQGO-NXEZZACHSA-N 3 2 199.342 0.701 20 0 ACADLP CO[C@H](C)C[N@H+]1C[C@H]2[C@H]([NH+](C)C)[C@H]2C1 931278869 631123003 /nfs/dbraw/zinc/12/30/03/631123003.db2.gz PVFWOXIYEYJYJD-ZNSHCXBVSA-N 2 2 198.310 0.513 20 0 ACADLP CO[C@H](C)C[N@@H+]1C[C@H]2[C@H]([NH+](C)C)[C@H]2C1 931278869 631123004 /nfs/dbraw/zinc/12/30/04/631123004.db2.gz PVFWOXIYEYJYJD-ZNSHCXBVSA-N 2 2 198.310 0.513 20 0 ACADLP CO[C@@H](C)C[N@H+]1C[C@H]2[C@H]([NH+](C)C)[C@H]2C1 931278868 631122263 /nfs/dbraw/zinc/12/22/63/631122263.db2.gz PVFWOXIYEYJYJD-UKKRHICBSA-N 2 2 198.310 0.513 20 0 ACADLP CO[C@@H](C)C[N@@H+]1C[C@H]2[C@H]([NH+](C)C)[C@H]2C1 931278868 631122265 /nfs/dbraw/zinc/12/22/65/631122265.db2.gz PVFWOXIYEYJYJD-UKKRHICBSA-N 2 2 198.310 0.513 20 0 ACADLP COCC[N@H+]1C[C@H]2[C@H]([NH+](C)C)[C@H]2C1 931279047 631122391 /nfs/dbraw/zinc/12/23/91/631122391.db2.gz WJLLQOQTIQPPAI-MYJAWHEDSA-N 2 2 184.283 0.125 20 0 ACADLP COCC[N@@H+]1C[C@H]2[C@H]([NH+](C)C)[C@H]2C1 931279047 631122392 /nfs/dbraw/zinc/12/23/92/631122392.db2.gz WJLLQOQTIQPPAI-MYJAWHEDSA-N 2 2 184.283 0.125 20 0 ACADLP COCC[N@H+]1[C@H]2CC[C@@H]1CC[NH+](C)C2 931720192 631127616 /nfs/dbraw/zinc/12/76/16/631127616.db2.gz PBJOHVWLZWSROA-MNOVXSKESA-N 2 2 198.310 0.801 20 0 ACADLP COCC[N@@H+]1[C@H]2CC[C@@H]1CC[NH+](C)C2 931720192 631127619 /nfs/dbraw/zinc/12/76/19/631127619.db2.gz PBJOHVWLZWSROA-MNOVXSKESA-N 2 2 198.310 0.801 20 0 ACADLP COCC[NH+]1[C@H]2CC[C@@H]1CC[N@@H+](C)C2 931720192 631127620 /nfs/dbraw/zinc/12/76/20/631127620.db2.gz PBJOHVWLZWSROA-MNOVXSKESA-N 2 2 198.310 0.801 20 0 ACADLP COCC[NH+]1[C@H]2CC[C@@H]1CC[N@H+](C)C2 931720192 631127623 /nfs/dbraw/zinc/12/76/23/631127623.db2.gz PBJOHVWLZWSROA-MNOVXSKESA-N 2 2 198.310 0.801 20 0 ACADLP CC[C@H](O)C[N@H+](CC)[C@H]1CC[NH2+]C1 251075076 631162428 /nfs/dbraw/zinc/16/24/28/631162428.db2.gz KKOKGNNZHFFEEN-UWVGGRQHSA-N 2 2 186.299 0.441 20 0 ACADLP CC[C@H](O)C[N@@H+](CC)[C@H]1CC[NH2+]C1 251075076 631162431 /nfs/dbraw/zinc/16/24/31/631162431.db2.gz KKOKGNNZHFFEEN-UWVGGRQHSA-N 2 2 186.299 0.441 20 0 ACADLP CC[C@H](O)C[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2 252689798 631166102 /nfs/dbraw/zinc/16/61/02/631166102.db2.gz SEISNSYONKCLOG-VWYCJHECSA-N 2 2 198.310 0.584 20 0 ACADLP CC[C@H](O)C[N@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2 252689798 631166103 /nfs/dbraw/zinc/16/61/03/631166103.db2.gz SEISNSYONKCLOG-VWYCJHECSA-N 2 2 198.310 0.584 20 0 ACADLP C[C@@H]1C[N@H+](Cc2ccon2)CC[C@@H]1[NH3+] 88054156 525022233 /nfs/dbraw/zinc/02/22/33/525022233.db2.gz IAXAMGLMYHZGRN-SCZZXKLOSA-N 2 2 195.266 0.844 20 0 ACADLP C[C@@H]1C[N@@H+](Cc2ccon2)CC[C@@H]1[NH3+] 88054156 525022248 /nfs/dbraw/zinc/02/22/48/525022248.db2.gz IAXAMGLMYHZGRN-SCZZXKLOSA-N 2 2 195.266 0.844 20 0 ACADLP C[C@@H]1C[NH2+]CCN1Cc1c[nH+]cn1C 85191639 525093697 /nfs/dbraw/zinc/09/36/97/525093697.db2.gz UDLNFZKWWULGEU-SECBINFHSA-N 2 2 194.282 0.214 20 0 ACADLP Cc1cc(NC(=O)[C@@H](C)C[NH3+])cc[nH+]1 82249295 525206423 /nfs/dbraw/zinc/20/64/23/525206423.db2.gz LNRVKGUQRFALOX-ZETCQYMHSA-N 2 2 193.250 0.923 20 0 ACADLP C[C@@H]([NH3+])C[N@@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 306284886 1224251335 /nfs/dbraw/zinc/25/13/35/1224251335.db2.gz SREBOIMVEDUKGB-MXWKQRLJSA-N 3 2 197.326 0.217 20 0 ACADLP C[C@@H]([NH3+])C[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 306284886 1224251347 /nfs/dbraw/zinc/25/13/47/1224251347.db2.gz SREBOIMVEDUKGB-MXWKQRLJSA-N 3 2 197.326 0.217 20 0 ACADLP C[C@@H]([NH3+])C[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 306284886 1224251354 /nfs/dbraw/zinc/25/13/54/1224251354.db2.gz SREBOIMVEDUKGB-MXWKQRLJSA-N 3 2 197.326 0.217 20 0 ACADLP C[C@@H]([NH3+])C[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 306284886 1224251362 /nfs/dbraw/zinc/25/13/62/1224251362.db2.gz SREBOIMVEDUKGB-MXWKQRLJSA-N 3 2 197.326 0.217 20 0 ACADLP O[C@H](C[NH2+][C@H]1CCC[NH2+]C1)C1CCC1 316138906 1224301375 /nfs/dbraw/zinc/30/13/75/1224301375.db2.gz IHZMPJKCVRZJEK-WDEREUQCSA-N 2 2 198.310 0.489 20 0 ACADLP O[C@@H](C[NH2+][C@@H]1CCC[NH2+]C1)C1CCC1 316138901 1224301494 /nfs/dbraw/zinc/30/14/94/1224301494.db2.gz IHZMPJKCVRZJEK-MNOVXSKESA-N 2 2 198.310 0.489 20 0 ACADLP O[C@@H](C[NH2+][C@H]1CCC[NH2+]C1)C1CCC1 316138904 1224301838 /nfs/dbraw/zinc/30/18/38/1224301838.db2.gz IHZMPJKCVRZJEK-QWRGUYRKSA-N 2 2 198.310 0.489 20 0 ACADLP O[C@H](C[NH2+][C@@H]1CCC[NH2+]C1)C1CCC1 316138899 1224302136 /nfs/dbraw/zinc/30/21/36/1224302136.db2.gz IHZMPJKCVRZJEK-GHMZBOCLSA-N 2 2 198.310 0.489 20 0 ACADLP CC(C)C1([NH2+]C[C@@H]2C[NH2+]CCO2)CC1 379466389 1224316072 /nfs/dbraw/zinc/31/60/72/1224316072.db2.gz OJBZNSXDYLQDJE-JTQLQIEISA-N 2 2 198.310 0.753 20 0 ACADLP CC(C)C1([NH2+]C[C@H]2C[NH2+]CCO2)CC1 379466390 1224316167 /nfs/dbraw/zinc/31/61/67/1224316167.db2.gz OJBZNSXDYLQDJE-SNVBAGLBSA-N 2 2 198.310 0.753 20 0 ACADLP Cc1[nH+]c[nH]c1CNC(=O)C[C@@H](C)[NH3+] 380210052 1224318536 /nfs/dbraw/zinc/31/85/36/1224318536.db2.gz HJWCVMQVTQPHDX-ZCFIWIBFSA-N 2 2 196.254 0.072 20 0 ACADLP Cc1[nH+]c[nH]c1CNC(=O)C[C@H](C)[NH3+] 380210051 1224318876 /nfs/dbraw/zinc/31/88/76/1224318876.db2.gz HJWCVMQVTQPHDX-LURJTMIESA-N 2 2 196.254 0.072 20 0 ACADLP Cc1[nH+]c[nH]c1CNC(=O)CCC[NH3+] 380214050 1224319048 /nfs/dbraw/zinc/31/90/48/1224319048.db2.gz IVEQHTQQGUDPQY-UHFFFAOYSA-N 2 2 196.254 0.073 20 0 ACADLP Cc1cnc(C[N@H+](C)CCC[NH3+])cn1 382091432 1224321662 /nfs/dbraw/zinc/32/16/62/1224321662.db2.gz ZRWSPNSPZZIVIV-UHFFFAOYSA-N 2 2 194.282 0.566 20 0 ACADLP Cc1cnc(C[N@@H+](C)CCC[NH3+])cn1 382091432 1224321673 /nfs/dbraw/zinc/32/16/73/1224321673.db2.gz ZRWSPNSPZZIVIV-UHFFFAOYSA-N 2 2 194.282 0.566 20 0 ACADLP Cc1nc(NC2C[NH2+]C2)c(C)c(C)[nH+]1 1574187297 1224492544 /nfs/dbraw/zinc/49/25/44/1224492544.db2.gz GNLGLJVIZHOYTH-UHFFFAOYSA-N 2 2 192.266 0.786 20 0 ACADLP Cc1cc(F)ncc1C[NH2+]CC[NH3+] 1574137731 1224492897 /nfs/dbraw/zinc/49/28/97/1224492897.db2.gz YOKXUNWUVGIUPW-UHFFFAOYSA-N 2 2 183.230 0.577 20 0 ACADLP C[C@@H](C[NH+](C)C)[NH2+]C1CC2(C1)C[C@H]2[NH3+] 1579397013 1224494318 /nfs/dbraw/zinc/49/43/18/1224494318.db2.gz CHKKFDGIDHJSSY-QPBDYMMBSA-N 3 2 197.326 0.406 20 0 ACADLP C[C@@H](C[NH+](C)C)[NH2+]C1CC2(C1)C[C@@H]2[NH3+] 1579397014 1224494568 /nfs/dbraw/zinc/49/45/68/1224494568.db2.gz CHKKFDGIDHJSSY-XEAZBWPWSA-N 3 2 197.326 0.406 20 0 ACADLP CSCC[N@@H+]1CC[C@H]2C[NH2+]C[C@H]21 1579374951 1224494650 /nfs/dbraw/zinc/49/46/50/1224494650.db2.gz ZVGWLFKWXCXIFQ-DTWKUNHWSA-N 2 2 186.324 0.643 20 0 ACADLP CSCC[N@H+]1CC[C@H]2C[NH2+]C[C@H]21 1579374951 1224494657 /nfs/dbraw/zinc/49/46/57/1224494657.db2.gz ZVGWLFKWXCXIFQ-DTWKUNHWSA-N 2 2 186.324 0.643 20 0 ACADLP C[C@@H](C[NH3+])[NH2+]Cc1cccnc1N 1579395583 1224495001 /nfs/dbraw/zinc/49/50/01/1224495001.db2.gz KUPVNNSPHVZLMU-ZETCQYMHSA-N 2 2 180.255 0.101 20 0 ACADLP C[C@@]1(C[NH2+][C@@H]2CC[NH2+]C2)CCCO1 87234487 525851173 /nfs/dbraw/zinc/85/11/73/525851173.db2.gz QMVYHVFCPHRKFA-ZJUUUORDSA-N 2 2 184.283 0.507 20 0 ACADLP C[C@@H](O)C[N@@H+]1[C@H]2CC[C@@H]1C[NH+](C)CC2 1644474930 1224512364 /nfs/dbraw/zinc/51/23/64/1224512364.db2.gz OQHOWSQZASGNAN-OUAUKWLOSA-N 2 2 198.310 0.536 20 0 ACADLP C[C@@H](O)C[N@H+]1[C@H]2CC[C@@H]1C[NH+](C)CC2 1644474930 1224512374 /nfs/dbraw/zinc/51/23/74/1224512374.db2.gz OQHOWSQZASGNAN-OUAUKWLOSA-N 2 2 198.310 0.536 20 0 ACADLP C[C@@H](O)C[NH+]1[C@H]2CC[C@@H]1C[N@H+](C)CC2 1644474930 1224512383 /nfs/dbraw/zinc/51/23/83/1224512383.db2.gz OQHOWSQZASGNAN-OUAUKWLOSA-N 2 2 198.310 0.536 20 0 ACADLP C[C@@H](O)C[NH+]1[C@H]2CC[C@@H]1C[N@@H+](C)CC2 1644474930 1224512389 /nfs/dbraw/zinc/51/23/89/1224512389.db2.gz OQHOWSQZASGNAN-OUAUKWLOSA-N 2 2 198.310 0.536 20 0 ACADLP Cc1c[nH+]cc(N2CC[NH2+]CC2)c1 82870029 526205953 /nfs/dbraw/zinc/20/59/53/526205953.db2.gz JFLZPJDEGUNYEV-UHFFFAOYSA-N 2 2 177.251 0.800 20 0 ACADLP Cn1nccc1C[NH2+][C@H]1CCC[NH2+]C1 70904515 527613250 /nfs/dbraw/zinc/61/32/50/527613250.db2.gz QQYPSZUEGPICSI-VIFPVBQESA-N 2 2 194.282 0.262 20 0 ACADLP [NH3+]CC(F)(F)Cn1cc[nH+]c1 34439412 537793682 /nfs/dbraw/zinc/79/36/82/537793682.db2.gz AUIRPCWFTFPUAL-UHFFFAOYSA-N 2 2 161.155 0.477 20 0 ACADLP C[C@H]([NH2+]CC[NH+](C)C)[C@@H]1CCCO1 35735891 537800781 /nfs/dbraw/zinc/80/07/81/537800781.db2.gz QLPNMQZXTHLSNB-UWVGGRQHSA-N 2 2 186.299 0.705 20 0 ACADLP C[C@@H]([NH2+]CC[NH+](C)C)[C@H]1CCCO1 35735894 537802214 /nfs/dbraw/zinc/80/22/14/537802214.db2.gz QLPNMQZXTHLSNB-NXEZZACHSA-N 2 2 186.299 0.705 20 0 ACADLP C[C@@H]([NH2+]CC[NH+](C)C)[C@@H]1CCCO1 35735892 537802381 /nfs/dbraw/zinc/80/23/81/537802381.db2.gz QLPNMQZXTHLSNB-ZJUUUORDSA-N 2 2 186.299 0.705 20 0 ACADLP C[C@H]([NH2+]CC[NH+](C)C)[C@H]1CCCO1 35735893 537803195 /nfs/dbraw/zinc/80/31/95/537803195.db2.gz QLPNMQZXTHLSNB-VHSXEESVSA-N 2 2 186.299 0.705 20 0 ACADLP CC(C)[NH2+]C[C@@H](C)[NH+](C)C 38088569 537826822 /nfs/dbraw/zinc/82/68/22/537826822.db2.gz OGNFWOGUOYORNN-MRVPVSSYSA-N 2 2 144.262 0.935 20 0 ACADLP C[C@H](C[NH2+]CC1CC1)[NH+](C)C 38087800 537826977 /nfs/dbraw/zinc/82/69/77/537826977.db2.gz IWRGFCPNWVTKBK-MRVPVSSYSA-N 2 2 156.273 0.936 20 0 ACADLP c1cn(CC[NH2+]C2CCOCC2)c[nH+]1 41050955 537840370 /nfs/dbraw/zinc/84/03/70/537840370.db2.gz WCORXSBHANBSJD-UHFFFAOYSA-N 2 2 195.266 0.652 20 0 ACADLP Cc1ccc(C[C@@H]([NH3+])C[NH3+])cc1 44477146 537848516 /nfs/dbraw/zinc/84/85/16/537848516.db2.gz JVZRSGPFDCTLSM-SNVBAGLBSA-N 2 2 164.252 0.824 20 0 ACADLP Cc1ccc(C[C@H]([NH3+])C[NH3+])cc1 44477143 537846519 /nfs/dbraw/zinc/84/65/19/537846519.db2.gz JVZRSGPFDCTLSM-JTQLQIEISA-N 2 2 164.252 0.824 20 0 ACADLP CC(C)OCC[N@H+](C)CC[NH3+] 49259290 537857013 /nfs/dbraw/zinc/85/70/13/537857013.db2.gz BCYAPYSNURBBLT-UHFFFAOYSA-N 2 2 160.261 0.302 20 0 ACADLP CC(C)OCC[N@@H+](C)CC[NH3+] 49259290 537857020 /nfs/dbraw/zinc/85/70/20/537857020.db2.gz BCYAPYSNURBBLT-UHFFFAOYSA-N 2 2 160.261 0.302 20 0 ACADLP CC(C)OCCC[N@H+](C)CC[NH3+] 49805202 537859336 /nfs/dbraw/zinc/85/93/36/537859336.db2.gz RHIBJSQBKUESHF-UHFFFAOYSA-N 2 2 174.288 0.692 20 0 ACADLP CC(C)OCCC[N@@H+](C)CC[NH3+] 49805202 537859343 /nfs/dbraw/zinc/85/93/43/537859343.db2.gz RHIBJSQBKUESHF-UHFFFAOYSA-N 2 2 174.288 0.692 20 0 ACADLP C[C@@H]1C[C@H]([NH+]2CCOCC2)CC[NH2+]1 73657516 537866679 /nfs/dbraw/zinc/86/66/79/537866679.db2.gz GAKCRSSYQHBQAV-NXEZZACHSA-N 2 2 184.283 0.459 20 0 ACADLP C[C@H]1C[C@@H]([NH+]2CCOCC2)CC[NH2+]1 73657527 537868314 /nfs/dbraw/zinc/86/83/14/537868314.db2.gz GAKCRSSYQHBQAV-UWVGGRQHSA-N 2 2 184.283 0.459 20 0 ACADLP C[C@@H]1C[C@@H]([NH+]2CCOCC2)CC[NH2+]1 73657524 537868530 /nfs/dbraw/zinc/86/85/30/537868530.db2.gz GAKCRSSYQHBQAV-ZJUUUORDSA-N 2 2 184.283 0.459 20 0 ACADLP C[C@H]1C[C@H]([NH+]2CCOCC2)CC[NH2+]1 73657520 537868589 /nfs/dbraw/zinc/86/85/89/537868589.db2.gz GAKCRSSYQHBQAV-VHSXEESVSA-N 2 2 184.283 0.459 20 0 ACADLP C[N@@H+]1C[C@@H]([NH3+])C2(CCCC2)C1 76590406 537869974 /nfs/dbraw/zinc/86/99/74/537869974.db2.gz DDRZWAKKLJMGCN-MRVPVSSYSA-N 2 2 154.257 0.820 20 0 ACADLP C[N@H+]1C[C@@H]([NH3+])C2(CCCC2)C1 76590406 537869981 /nfs/dbraw/zinc/86/99/81/537869981.db2.gz DDRZWAKKLJMGCN-MRVPVSSYSA-N 2 2 154.257 0.820 20 0 ACADLP C[N@@H+]1C[C@H]([NH3+])C2(CCCC2)C1 76590403 537872753 /nfs/dbraw/zinc/87/27/53/537872753.db2.gz DDRZWAKKLJMGCN-QMMMGPOBSA-N 2 2 154.257 0.820 20 0 ACADLP C[N@H+]1C[C@H]([NH3+])C2(CCCC2)C1 76590403 537872765 /nfs/dbraw/zinc/87/27/65/537872765.db2.gz DDRZWAKKLJMGCN-QMMMGPOBSA-N 2 2 154.257 0.820 20 0 ACADLP Cc1c[nH+]c([C@H](O)CC[NH3+])n1C 82854496 537890717 /nfs/dbraw/zinc/89/07/17/537890717.db2.gz CTNBNEDXCAVGAB-SSDOTTSWSA-N 2 2 169.228 0.111 20 0 ACADLP Cc1c[nH+]c([C@@H](O)CC[NH3+])n1C 82854497 537891619 /nfs/dbraw/zinc/89/16/19/537891619.db2.gz CTNBNEDXCAVGAB-ZETCQYMHSA-N 2 2 169.228 0.111 20 0 ACADLP C[C@H](C[NH3+])[C@H](O)c1c[nH+]cn1C 85926083 537926017 /nfs/dbraw/zinc/92/60/17/537926017.db2.gz YNRIUPDJWRDXMO-SVRRBLITSA-N 2 2 169.228 0.048 20 0 ACADLP C[C@@H](C[NH3+])[C@H](O)c1c[nH+]cn1C 85926077 537926879 /nfs/dbraw/zinc/92/68/79/537926879.db2.gz YNRIUPDJWRDXMO-XPUUQOCRSA-N 2 2 169.228 0.048 20 0 ACADLP C[C@@H](C[NH3+])[C@@H](O)c1c[nH+]cn1C 85926085 537927388 /nfs/dbraw/zinc/92/73/88/537927388.db2.gz YNRIUPDJWRDXMO-POYBYMJQSA-N 2 2 169.228 0.048 20 0 ACADLP Cn1c[nH+]cc1[C@H](O)C(C)(C)C[NH3+] 85926140 537927483 /nfs/dbraw/zinc/92/74/83/537927483.db2.gz LXAOSQPVFFOFQQ-QMMMGPOBSA-N 2 2 183.255 0.438 20 0 ACADLP Cn1c[nH+]cc1[C@@H](O)C(C)(C)C[NH3+] 85926135 537927979 /nfs/dbraw/zinc/92/79/79/537927979.db2.gz LXAOSQPVFFOFQQ-MRVPVSSYSA-N 2 2 183.255 0.438 20 0 ACADLP C[C@H](C[NH3+])[C@@H](O)c1c[nH+]cn1C 85926090 537928452 /nfs/dbraw/zinc/92/84/52/537928452.db2.gz YNRIUPDJWRDXMO-HTRCEHHLSA-N 2 2 169.228 0.048 20 0 ACADLP F[C@@H]1C[NH2+]CC[C@@H]1[NH+]1CCCC1 117727145 537971165 /nfs/dbraw/zinc/97/11/65/537971165.db2.gz MVMMIILUFKFCNK-BDAKNGLRSA-N 2 2 172.247 0.782 20 0 ACADLP F[C@@H]1C[NH2+]CC[C@H]1[NH+]1CCCC1 117727148 537971343 /nfs/dbraw/zinc/97/13/43/537971343.db2.gz MVMMIILUFKFCNK-RKDXNWHRSA-N 2 2 172.247 0.782 20 0 ACADLP CCC[NH+]1CCN(c2[nH]cc[nH+]2)CC1 148556713 538008105 /nfs/dbraw/zinc/00/81/05/538008105.db2.gz ARTCIAAHWDLSBQ-UHFFFAOYSA-N 2 2 194.282 0.942 20 0 ACADLP C[C@H]1C[C@H]([NH2+]CCN(C)C)CC[N@@H+]1C 155773351 538012664 /nfs/dbraw/zinc/01/26/64/538012664.db2.gz ZIESBCOMWOBABT-WDEREUQCSA-N 2 2 199.342 0.620 20 0 ACADLP C[C@H]1C[C@H]([NH2+]CCN(C)C)CC[N@H+]1C 155773351 538012672 /nfs/dbraw/zinc/01/26/72/538012672.db2.gz ZIESBCOMWOBABT-WDEREUQCSA-N 2 2 199.342 0.620 20 0 ACADLP C[C@@H]1C[C@H]([NH2+]CCN(C)C)CC[N@@H+]1C 155773257 538013855 /nfs/dbraw/zinc/01/38/55/538013855.db2.gz ZIESBCOMWOBABT-GHMZBOCLSA-N 2 2 199.342 0.620 20 0 ACADLP C[C@@H]1C[C@H]([NH2+]CCN(C)C)CC[N@H+]1C 155773257 538013861 /nfs/dbraw/zinc/01/38/61/538013861.db2.gz ZIESBCOMWOBABT-GHMZBOCLSA-N 2 2 199.342 0.620 20 0 ACADLP C[C@@H]1C[C@@H]([NH2+]CCN(C)C)CC[N@@H+]1C 155773471 538014052 /nfs/dbraw/zinc/01/40/52/538014052.db2.gz ZIESBCOMWOBABT-MNOVXSKESA-N 2 2 199.342 0.620 20 0 ACADLP C[C@@H]1C[C@@H]([NH2+]CCN(C)C)CC[N@H+]1C 155773471 538014053 /nfs/dbraw/zinc/01/40/53/538014053.db2.gz ZIESBCOMWOBABT-MNOVXSKESA-N 2 2 199.342 0.620 20 0 ACADLP C[C@H]1C[C@@H]([NH2+]CCN(C)C)CC[N@@H+]1C 155773579 538014119 /nfs/dbraw/zinc/01/41/19/538014119.db2.gz ZIESBCOMWOBABT-QWRGUYRKSA-N 2 2 199.342 0.620 20 0 ACADLP C[C@H]1C[C@@H]([NH2+]CCN(C)C)CC[N@H+]1C 155773579 538014126 /nfs/dbraw/zinc/01/41/26/538014126.db2.gz ZIESBCOMWOBABT-QWRGUYRKSA-N 2 2 199.342 0.620 20 0 ACADLP C[N@H+](CC[NH3+])CCOC(C)(C)C 156692915 538015778 /nfs/dbraw/zinc/01/57/78/538015778.db2.gz BZTHPDCGIIWRKV-UHFFFAOYSA-N 2 2 174.288 0.692 20 0 ACADLP C[N@@H+](CC[NH3+])CCOC(C)(C)C 156692915 538015785 /nfs/dbraw/zinc/01/57/85/538015785.db2.gz BZTHPDCGIIWRKV-UHFFFAOYSA-N 2 2 174.288 0.692 20 0 ACADLP C[C@H](CO)[N@H+](C)CCCn1cc[nH+]c1 159252011 538030457 /nfs/dbraw/zinc/03/04/57/538030457.db2.gz KONVXAOALJYNQH-SNVBAGLBSA-N 2 2 197.282 0.586 20 0 ACADLP C[C@H](CO)[N@@H+](C)CCCn1cc[nH+]c1 159252011 538030458 /nfs/dbraw/zinc/03/04/58/538030458.db2.gz KONVXAOALJYNQH-SNVBAGLBSA-N 2 2 197.282 0.586 20 0 ACADLP CC(C)COCC[N@@H+]1CC[C@H]([NH3+])C1 158915080 538030633 /nfs/dbraw/zinc/03/06/33/538030633.db2.gz WLDHZXBQYCHAMM-JTQLQIEISA-N 2 2 186.299 0.692 20 0 ACADLP CC(C)COCC[N@H+]1CC[C@H]([NH3+])C1 158915080 538030635 /nfs/dbraw/zinc/03/06/35/538030635.db2.gz WLDHZXBQYCHAMM-JTQLQIEISA-N 2 2 186.299 0.692 20 0 ACADLP C[C@@H](C[NH+](C)C)[NH2+]CC1CC1 159083451 538031575 /nfs/dbraw/zinc/03/15/75/538031575.db2.gz BDKDDMIETCWGPM-QMMMGPOBSA-N 2 2 156.273 0.936 20 0 ACADLP CC(C)COCC[N@@H+]1CC[C@@H]([NH3+])C1 158915220 538031942 /nfs/dbraw/zinc/03/19/42/538031942.db2.gz WLDHZXBQYCHAMM-SNVBAGLBSA-N 2 2 186.299 0.692 20 0 ACADLP CC(C)COCC[N@H+]1CC[C@@H]([NH3+])C1 158915220 538031949 /nfs/dbraw/zinc/03/19/49/538031949.db2.gz WLDHZXBQYCHAMM-SNVBAGLBSA-N 2 2 186.299 0.692 20 0 ACADLP COC1CC([NH2+][C@@H](C)C[NH+](C)C)C1 234670094 538240194 /nfs/dbraw/zinc/24/01/94/538240194.db2.gz QKKBPAJLKKLSIE-IDKOKCKLSA-N 2 2 186.299 0.704 20 0 ACADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CCOC1 250382759 538257222 /nfs/dbraw/zinc/25/72/22/538257222.db2.gz XDWJMAJQQHFHCY-QWRGUYRKSA-N 2 2 198.310 0.849 20 0 ACADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@H]1CCOC1 250382759 538257229 /nfs/dbraw/zinc/25/72/29/538257229.db2.gz XDWJMAJQQHFHCY-QWRGUYRKSA-N 2 2 198.310 0.849 20 0 ACADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CCOC1 250382761 538257479 /nfs/dbraw/zinc/25/74/79/538257479.db2.gz XDWJMAJQQHFHCY-WDEREUQCSA-N 2 2 198.310 0.849 20 0 ACADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CCOC1 250382761 538257484 /nfs/dbraw/zinc/25/74/84/538257484.db2.gz XDWJMAJQQHFHCY-WDEREUQCSA-N 2 2 198.310 0.849 20 0 ACADLP [NH3+]C[C@@H]1[NH2+]CCOc2ccccc21 306423030 538303778 /nfs/dbraw/zinc/30/37/78/538303778.db2.gz FAPWADLYJVYQQG-VIFPVBQESA-N 2 2 178.235 0.668 20 0 ACADLP [NH3+]C[C@H]1[NH2+]CCOc2ccccc21 306423027 538303988 /nfs/dbraw/zinc/30/39/88/538303988.db2.gz FAPWADLYJVYQQG-SECBINFHSA-N 2 2 178.235 0.668 20 0 ACADLP Cn1c[nH+]cc1[C@@H](O)C1(C[NH3+])CC1 307409183 538315817 /nfs/dbraw/zinc/31/58/17/538315817.db2.gz NDZMOTXVDBRGCY-MRVPVSSYSA-N 2 2 181.239 0.192 20 0 ACADLP Cn1c[nH+]cc1[C@H](O)C1(C[NH3+])CC1 307409184 538315890 /nfs/dbraw/zinc/31/58/90/538315890.db2.gz NDZMOTXVDBRGCY-QMMMGPOBSA-N 2 2 181.239 0.192 20 0 ACADLP C[C@@H](C[NH+](C)C)[NH2+]CC1=CCCOC1 379570598 538415343 /nfs/dbraw/zinc/41/53/43/538415343.db2.gz PYUDZRAQNYAMOB-JTQLQIEISA-N 2 2 198.310 0.873 20 0 ACADLP C[N@H+](C[C@H](O)Cn1cc[nH+]c1)C1CC1 379587120 538418027 /nfs/dbraw/zinc/41/80/27/538418027.db2.gz RYDHXJWQLFZOTE-JTQLQIEISA-N 2 2 195.266 0.338 20 0 ACADLP C[N@@H+](C[C@H](O)Cn1cc[nH+]c1)C1CC1 379587120 538418030 /nfs/dbraw/zinc/41/80/30/538418030.db2.gz RYDHXJWQLFZOTE-JTQLQIEISA-N 2 2 195.266 0.338 20 0 ACADLP C[N@H+](C[C@@H](O)Cn1cc[nH+]c1)C1CC1 379587121 538419129 /nfs/dbraw/zinc/41/91/29/538419129.db2.gz RYDHXJWQLFZOTE-SNVBAGLBSA-N 2 2 195.266 0.338 20 0 ACADLP C[N@@H+](C[C@@H](O)Cn1cc[nH+]c1)C1CC1 379587121 538419131 /nfs/dbraw/zinc/41/91/31/538419131.db2.gz RYDHXJWQLFZOTE-SNVBAGLBSA-N 2 2 195.266 0.338 20 0 ACADLP Cc1cn[nH]c1C[NH2+]CCC[NH+](C)C 379594909 538419765 /nfs/dbraw/zinc/41/97/65/538419765.db2.gz DDNMKYKWZIDVGU-UHFFFAOYSA-N 2 2 196.298 0.759 20 0 ACADLP Cc1c[nH]nc1C[NH2+]CCC[NH+](C)C 379594909 538419766 /nfs/dbraw/zinc/41/97/66/538419766.db2.gz DDNMKYKWZIDVGU-UHFFFAOYSA-N 2 2 196.298 0.759 20 0 ACADLP C[C@H](CO)C[NH2+][C@H]1C[N@H+](C)C[C@@H]1C 388776282 538437298 /nfs/dbraw/zinc/43/72/98/538437298.db2.gz IFVDGSOTEVXWHX-GUBZILKMSA-N 2 2 186.299 0.155 20 0 ACADLP C[C@H](CO)C[NH2+][C@H]1C[N@@H+](C)C[C@@H]1C 388776282 538437299 /nfs/dbraw/zinc/43/72/99/538437299.db2.gz IFVDGSOTEVXWHX-GUBZILKMSA-N 2 2 186.299 0.155 20 0 ACADLP C[C@H](CO)C[NH2+][C@@H]1C[N@H+](C)C[C@H]1C 388776283 538437386 /nfs/dbraw/zinc/43/73/86/538437386.db2.gz IFVDGSOTEVXWHX-IVZWLZJFSA-N 2 2 186.299 0.155 20 0 ACADLP C[C@H](CO)C[NH2+][C@@H]1C[N@@H+](C)C[C@H]1C 388776283 538437387 /nfs/dbraw/zinc/43/73/87/538437387.db2.gz IFVDGSOTEVXWHX-IVZWLZJFSA-N 2 2 186.299 0.155 20 0 ACADLP C[C@H](CO)C[NH2+][C@@H]1C[N@H+](C)C[C@@H]1C 388776284 538437441 /nfs/dbraw/zinc/43/74/41/538437441.db2.gz IFVDGSOTEVXWHX-LPEHRKFASA-N 2 2 186.299 0.155 20 0 ACADLP C[C@H](CO)C[NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C 388776284 538437442 /nfs/dbraw/zinc/43/74/42/538437442.db2.gz IFVDGSOTEVXWHX-LPEHRKFASA-N 2 2 186.299 0.155 20 0 ACADLP C[C@H](CO)C[NH2+][C@H]1C[N@H+](C)C[C@H]1C 388776277 538437489 /nfs/dbraw/zinc/43/74/89/538437489.db2.gz IFVDGSOTEVXWHX-AEJSXWLSSA-N 2 2 186.299 0.155 20 0 ACADLP C[C@H](CO)C[NH2+][C@H]1C[N@@H+](C)C[C@H]1C 388776277 538437490 /nfs/dbraw/zinc/43/74/90/538437490.db2.gz IFVDGSOTEVXWHX-AEJSXWLSSA-N 2 2 186.299 0.155 20 0 ACADLP C[C@@H]1CC[N@H+](CC[NH2+][C@@H]2CCOC2)C1 389243779 538439880 /nfs/dbraw/zinc/43/98/80/538439880.db2.gz ZQBVJAWIEVCIEA-GHMZBOCLSA-N 2 2 198.310 0.707 20 0 ACADLP C[C@H]1CC[N@H+](CC[NH2+][C@H]2CCOC2)C1 389243781 538439736 /nfs/dbraw/zinc/43/97/36/538439736.db2.gz ZQBVJAWIEVCIEA-QWRGUYRKSA-N 2 2 198.310 0.707 20 0 ACADLP C[C@H]1CC[N@@H+](CC[NH2+][C@H]2CCOC2)C1 389243781 538439737 /nfs/dbraw/zinc/43/97/37/538439737.db2.gz ZQBVJAWIEVCIEA-QWRGUYRKSA-N 2 2 198.310 0.707 20 0 ACADLP C[C@@H]1CC[N@H+](CC[NH2+][C@H]2CCOC2)C1 389243780 538439767 /nfs/dbraw/zinc/43/97/67/538439767.db2.gz ZQBVJAWIEVCIEA-MNOVXSKESA-N 2 2 198.310 0.707 20 0 ACADLP C[C@@H]1CC[N@@H+](CC[NH2+][C@H]2CCOC2)C1 389243780 538439769 /nfs/dbraw/zinc/43/97/69/538439769.db2.gz ZQBVJAWIEVCIEA-MNOVXSKESA-N 2 2 198.310 0.707 20 0 ACADLP C[C@@H]1CC[N@@H+](CC[NH2+][C@@H]2CCOC2)C1 389243779 538439882 /nfs/dbraw/zinc/43/98/82/538439882.db2.gz ZQBVJAWIEVCIEA-GHMZBOCLSA-N 2 2 198.310 0.707 20 0 ACADLP C[C@H]1CC[N@H+](CC[NH2+][C@@H]2CCOC2)C1 389243782 538439851 /nfs/dbraw/zinc/43/98/51/538439851.db2.gz ZQBVJAWIEVCIEA-WDEREUQCSA-N 2 2 198.310 0.707 20 0 ACADLP C[C@H]1CC[N@@H+](CC[NH2+][C@@H]2CCOC2)C1 389243782 538439852 /nfs/dbraw/zinc/43/98/52/538439852.db2.gz ZQBVJAWIEVCIEA-WDEREUQCSA-N 2 2 198.310 0.707 20 0 ACADLP CC(C)[N@H+](C)[C@H]1C[NH2+]CC[C@H]1O 675058715 538449371 /nfs/dbraw/zinc/44/93/71/538449371.db2.gz VAKPLINBIYRIPZ-DTWKUNHWSA-N 2 2 172.272 0.049 20 0 ACADLP CC(C)[N@@H+](C)[C@H]1C[NH2+]CC[C@H]1O 675058715 538449372 /nfs/dbraw/zinc/44/93/72/538449372.db2.gz VAKPLINBIYRIPZ-DTWKUNHWSA-N 2 2 172.272 0.049 20 0 ACADLP CC[NH+](CC)[C@@H]1C[NH2+]CC[C@H]1O 675058804 538449047 /nfs/dbraw/zinc/44/90/47/538449047.db2.gz YDXHHFRXURRKDK-RKDXNWHRSA-N 2 2 172.272 0.051 20 0 ACADLP CC[NH+](CC)[C@@H]1C[NH2+]CC[C@@H]1O 675058801 538449089 /nfs/dbraw/zinc/44/90/89/538449089.db2.gz YDXHHFRXURRKDK-BDAKNGLRSA-N 2 2 172.272 0.051 20 0 ACADLP CC(C)[N@@H+](C)[C@@H]1C[NH2+]CC[C@H]1O 675058716 538449358 /nfs/dbraw/zinc/44/93/58/538449358.db2.gz VAKPLINBIYRIPZ-RKDXNWHRSA-N 2 2 172.272 0.049 20 0 ACADLP CC(C)[N@H+](C)[C@@H]1C[NH2+]CC[C@H]1O 675058716 538449357 /nfs/dbraw/zinc/44/93/57/538449357.db2.gz VAKPLINBIYRIPZ-RKDXNWHRSA-N 2 2 172.272 0.049 20 0 ACADLP CC[NH+](CC)[C@H]1C[NH2+]CC[C@H]1O 675058802 538449566 /nfs/dbraw/zinc/44/95/66/538449566.db2.gz YDXHHFRXURRKDK-DTWKUNHWSA-N 2 2 172.272 0.051 20 0 ACADLP CCCC[N@H+](CC[NH3+])CCOC 42691013 541301951 /nfs/dbraw/zinc/30/19/51/541301951.db2.gz KLGYOLVSSQTVDW-UHFFFAOYSA-N 2 2 174.288 0.694 20 0 ACADLP CCCC[N@@H+](CC[NH3+])CCOC 42691013 541301955 /nfs/dbraw/zinc/30/19/55/541301955.db2.gz KLGYOLVSSQTVDW-UHFFFAOYSA-N 2 2 174.288 0.694 20 0 ACADLP CC[N@H+](CCO)CC[NH2+]CC(C)C 388368889 541341781 /nfs/dbraw/zinc/34/17/81/541341781.db2.gz WMWONWSNKPAKTA-UHFFFAOYSA-N 2 2 188.315 0.546 20 0 ACADLP CC[N@@H+](CCO)CC[NH2+]CC(C)C 388368889 541341785 /nfs/dbraw/zinc/34/17/85/541341785.db2.gz WMWONWSNKPAKTA-UHFFFAOYSA-N 2 2 188.315 0.546 20 0 ACADLP C[C@H](CCO)[NH2+]C[C@H]1CCC[N@@H+]1C 308088572 757101293 /nfs/dbraw/zinc/10/12/93/757101293.db2.gz NKJSNDHZDGPPGS-NXEZZACHSA-N 2 2 186.299 0.441 20 0 ACADLP C[C@H](CCO)[NH2+]C[C@H]1CCC[N@H+]1C 308088572 757101303 /nfs/dbraw/zinc/10/13/03/757101303.db2.gz NKJSNDHZDGPPGS-NXEZZACHSA-N 2 2 186.299 0.441 20 0 ACADLP C[C@@H](CCO)[NH2+]C[C@H]1CCC[N@@H+]1C 308088574 757105398 /nfs/dbraw/zinc/10/53/98/757105398.db2.gz NKJSNDHZDGPPGS-VHSXEESVSA-N 2 2 186.299 0.441 20 0 ACADLP C[C@@H](CCO)[NH2+]C[C@H]1CCC[N@H+]1C 308088574 757105424 /nfs/dbraw/zinc/10/54/24/757105424.db2.gz NKJSNDHZDGPPGS-VHSXEESVSA-N 2 2 186.299 0.441 20 0 ACADLP C[NH2+]CC[N@H+](C)CC[C@@H]1CCOC1 400672295 757133582 /nfs/dbraw/zinc/13/35/82/757133582.db2.gz ZQTVCZQQKUGHKW-SNVBAGLBSA-N 2 2 186.299 0.564 20 0 ACADLP C[NH2+]CC[N@@H+](C)CC[C@@H]1CCOC1 400672295 757133605 /nfs/dbraw/zinc/13/36/05/757133605.db2.gz ZQTVCZQQKUGHKW-SNVBAGLBSA-N 2 2 186.299 0.564 20 0 ACADLP C[NH2+]CC[N@H+](C)CC[C@H]1CCOC1 400672293 757139711 /nfs/dbraw/zinc/13/97/11/757139711.db2.gz ZQTVCZQQKUGHKW-JTQLQIEISA-N 2 2 186.299 0.564 20 0 ACADLP C[NH2+]CC[N@@H+](C)CC[C@H]1CCOC1 400672293 757139730 /nfs/dbraw/zinc/13/97/30/757139730.db2.gz ZQTVCZQQKUGHKW-JTQLQIEISA-N 2 2 186.299 0.564 20 0 ACADLP CC1(C)[C@@H]([NH3+])C[C@@H]1[NH2+]Cc1cc[nH]n1 405454240 757200801 /nfs/dbraw/zinc/20/08/01/757200801.db2.gz HEQHBCMWIUIBBW-IUCAKERBSA-N 2 2 194.282 0.625 20 0 ACADLP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]Cc1cc[nH]n1 405454243 757205005 /nfs/dbraw/zinc/20/50/05/757205005.db2.gz HEQHBCMWIUIBBW-RKDXNWHRSA-N 2 2 194.282 0.625 20 0 ACADLP CC1(C)[C@@H]([NH2+]Cc2cc[nH]n2)C[C@H]1[NH3+] 405454236 757206034 /nfs/dbraw/zinc/20/60/34/757206034.db2.gz HEQHBCMWIUIBBW-BDAKNGLRSA-N 2 2 194.282 0.625 20 0 ACADLP CC1(C)[C@@H]([NH3+])C[C@H]1[NH2+]Cc1cc[nH]n1 405454238 757212588 /nfs/dbraw/zinc/21/25/88/757212588.db2.gz HEQHBCMWIUIBBW-DTWKUNHWSA-N 2 2 194.282 0.625 20 0 ACADLP CCO[C@@H]1C[N@@H+](CCF)C[C@H]1C[NH3+] 405788956 757228975 /nfs/dbraw/zinc/22/89/75/757228975.db2.gz OJCHXXWMQDGOJS-RKDXNWHRSA-N 2 2 190.262 0.252 20 0 ACADLP CCO[C@@H]1C[N@H+](CCF)C[C@H]1C[NH3+] 405788956 757228960 /nfs/dbraw/zinc/22/89/60/757228960.db2.gz OJCHXXWMQDGOJS-RKDXNWHRSA-N 2 2 190.262 0.252 20 0 ACADLP C[NH2+]CC[N@H+](C)C[C@@H]1C[C@@H]1C 82648310 572069320 /nfs/dbraw/zinc/06/93/20/572069320.db2.gz XNVBZMSTABIJDM-IUCAKERBSA-N 2 2 156.273 0.794 20 0 ACADLP C[NH2+]CC[N@@H+](C)C[C@@H]1C[C@@H]1C 82648310 572069323 /nfs/dbraw/zinc/06/93/23/572069323.db2.gz XNVBZMSTABIJDM-IUCAKERBSA-N 2 2 156.273 0.794 20 0 ACADLP C[C@H]([NH3+])C[N@H+](C)Cc1ccncc1 37504526 572164300 /nfs/dbraw/zinc/16/43/00/572164300.db2.gz PWHHODDFGKIDQC-VIFPVBQESA-N 2 2 179.267 0.861 20 0 ACADLP C[C@H]([NH3+])C[N@@H+](C)Cc1ccncc1 37504526 572164303 /nfs/dbraw/zinc/16/43/03/572164303.db2.gz PWHHODDFGKIDQC-VIFPVBQESA-N 2 2 179.267 0.861 20 0 ACADLP C[C@H](C[NH3+])[NH+]1CCSCC1 20257161 572210924 /nfs/dbraw/zinc/21/09/24/572210924.db2.gz VXVUATZNEXVGJK-SSDOTTSWSA-N 2 2 160.286 0.382 20 0 ACADLP [NH3+]CC(C[NH3+])NCCC1CCCCC1 695295902 757411519 /nfs/dbraw/zinc/41/15/19/757411519.db2.gz UBKGKDUWDDYWLX-UHFFFAOYSA-N 2 2 199.342 0.832 20 0 ACADLP [NH3+]CC(C[NH3+])NCCCC1CC1 695361628 757411749 /nfs/dbraw/zinc/41/17/49/757411749.db2.gz YGDQWKCDNOQAJM-UHFFFAOYSA-N 2 2 171.288 0.052 20 0 ACADLP [NH3+]CC(C[NH3+])NCC1CCCCCC1 695296074 757413460 /nfs/dbraw/zinc/41/34/60/757413460.db2.gz VXOYNDPHOGGNPF-UHFFFAOYSA-N 2 2 199.342 0.832 20 0 ACADLP NCC(C[NH3+])[NH2+]CC1CCCCCC1 695296074 757413472 /nfs/dbraw/zinc/41/34/72/757413472.db2.gz VXOYNDPHOGGNPF-UHFFFAOYSA-N 2 2 199.342 0.832 20 0 ACADLP CCC(CC)CNC(C[NH3+])C[NH3+] 695269116 757415113 /nfs/dbraw/zinc/41/51/13/757415113.db2.gz UYXMVSSPIQXOOR-UHFFFAOYSA-N 2 2 173.304 0.298 20 0 ACADLP CCC(CC)C[NH2+]C(CN)C[NH3+] 695269116 757415115 /nfs/dbraw/zinc/41/51/15/757415115.db2.gz UYXMVSSPIQXOOR-UHFFFAOYSA-N 2 2 173.304 0.298 20 0 ACADLP CC(C)(C)CCCNC(C[NH3+])C[NH3+] 695283048 757415297 /nfs/dbraw/zinc/41/52/97/757415297.db2.gz QPGCSXHKMZGTPA-UHFFFAOYSA-N 2 2 187.331 0.688 20 0 ACADLP C[NH2+]CC[N@H+](C)CC1CC(OC)C1 703447826 757482294 /nfs/dbraw/zinc/48/22/94/757482294.db2.gz ZYOSRGUQVSHBDT-UHFFFAOYSA-N 2 2 186.299 0.563 20 0 ACADLP C[NH2+]CC[N@@H+](C)CC1CC(OC)C1 703447826 757482314 /nfs/dbraw/zinc/48/23/14/757482314.db2.gz ZYOSRGUQVSHBDT-UHFFFAOYSA-N 2 2 186.299 0.563 20 0 ACADLP O[C@@H]1CC[C@H](C[NH2+]Cc2c[nH+]c[nH]2)C1 236549881 572831040 /nfs/dbraw/zinc/83/10/40/572831040.db2.gz AQOBDGLUXUVLDO-WCBMZHEXSA-N 2 2 195.266 0.660 20 0 ACADLP C[C@H](O)C[NH2+]C[C@@H](C)Cn1cc[nH+]c1 1120572848 757811232 /nfs/dbraw/zinc/81/12/32/757811232.db2.gz IXYVAHOOCMKACO-ZJUUUORDSA-N 2 2 197.282 0.490 20 0 ACADLP C[C@H](O)C[NH2+]C[C@H](C)Cn1cc[nH+]c1 1120572847 757811792 /nfs/dbraw/zinc/81/17/92/757811792.db2.gz IXYVAHOOCMKACO-UWVGGRQHSA-N 2 2 197.282 0.490 20 0 ACADLP CC[N@H+](CC(C)=O)C1CC[NH2+]CC1 50157743 573246673 /nfs/dbraw/zinc/24/66/73/573246673.db2.gz SNUWPLITCGITJW-UHFFFAOYSA-N 2 2 184.283 0.649 20 0 ACADLP CC[N@@H+](CC(C)=O)C1CC[NH2+]CC1 50157743 573246676 /nfs/dbraw/zinc/24/66/76/573246676.db2.gz SNUWPLITCGITJW-UHFFFAOYSA-N 2 2 184.283 0.649 20 0 ACADLP C[C@H](CCO)[NH2+]CCCn1cc[nH+]c1 132884367 573354112 /nfs/dbraw/zinc/35/41/12/573354112.db2.gz OBSGXVSXJYKWLL-SNVBAGLBSA-N 2 2 197.282 0.634 20 0 ACADLP C[C@@H](C[NH2+]Cc1cnc[nH]1)C[NH+](C)C 308586094 573443352 /nfs/dbraw/zinc/44/33/52/573443352.db2.gz RYKHYTKAEDXTEL-VIFPVBQESA-N 2 2 196.298 0.697 20 0 ACADLP C[C@@H]([NH3+])C[N@H+](C)CCc1cccnc1 82595085 572055722 /nfs/dbraw/zinc/05/57/22/572055722.db2.gz QEKXQWOCMRQBGW-SNVBAGLBSA-N 2 2 193.294 0.903 20 0 ACADLP C[C@@H]([NH3+])C[N@@H+](C)CCc1cccnc1 82595085 572055724 /nfs/dbraw/zinc/05/57/24/572055724.db2.gz QEKXQWOCMRQBGW-SNVBAGLBSA-N 2 2 193.294 0.903 20 0 ACADLP COCC[N@H+](C)C[C@H]([NH3+])CC(F)F 308162625 572892023 /nfs/dbraw/zinc/89/20/23/572892023.db2.gz XTGIDTIEYDRBQM-SSDOTTSWSA-N 2 2 196.241 0.547 20 0 ACADLP COCC[N@@H+](C)C[C@H]([NH3+])CC(F)F 308162625 572892033 /nfs/dbraw/zinc/89/20/33/572892033.db2.gz XTGIDTIEYDRBQM-SSDOTTSWSA-N 2 2 196.241 0.547 20 0 ACADLP COc1cccc(C)c1[C@H]([NH3+])C[NH3+] 104580510 573028498 /nfs/dbraw/zinc/02/84/98/573028498.db2.gz NDOQYBATTZCKML-MRVPVSSYSA-N 2 2 180.251 0.962 20 0 ACADLP COc1ccc(C)c([C@@H]([NH3+])C[NH3+])c1 104579473 573030191 /nfs/dbraw/zinc/03/01/91/573030191.db2.gz BPOYASXAQIPZDV-JTQLQIEISA-N 2 2 180.251 0.962 20 0 ACADLP COc1ccc(C)c([C@H]([NH3+])C[NH3+])c1 104579472 573030432 /nfs/dbraw/zinc/03/04/32/573030432.db2.gz BPOYASXAQIPZDV-SNVBAGLBSA-N 2 2 180.251 0.962 20 0 ACADLP C[C@@H](CCO)[NH2+]CCCn1cc[nH+]c1 132884166 573356728 /nfs/dbraw/zinc/35/67/28/573356728.db2.gz OBSGXVSXJYKWLL-JTQLQIEISA-N 2 2 197.282 0.634 20 0 ACADLP [NH3+][C@H]1CCC[C@@H]([NH2+]Cc2nnc[nH]2)C1 86403316 573409401 /nfs/dbraw/zinc/40/94/01/573409401.db2.gz GNYMQBAVHHOYSI-JGVFFNPUSA-N 2 2 195.270 0.164 20 0 ACADLP [NH3+][C@@H]1CCC[C@H]([NH2+]Cc2nnc[nH]2)C1 86403322 573410550 /nfs/dbraw/zinc/41/05/50/573410550.db2.gz GNYMQBAVHHOYSI-SFYZADRCSA-N 2 2 195.270 0.164 20 0 ACADLP C[C@H](C[NH2+]Cc1cnc[nH]1)C[NH+](C)C 308586091 573441900 /nfs/dbraw/zinc/44/19/00/573441900.db2.gz RYKHYTKAEDXTEL-SECBINFHSA-N 2 2 196.298 0.697 20 0 ACADLP C[NH2+]C[C@@H]1CCCn2c[nH+]cc21 107309143 573495376 /nfs/dbraw/zinc/49/53/76/573495376.db2.gz NWYTXCGGAAWKNN-QMMMGPOBSA-N 2 2 165.240 0.980 20 0 ACADLP C[C@H]([NH2+][C@H]1CC[N@H+](C)C1)[C@@H]1CCOC1 223194494 573606701 /nfs/dbraw/zinc/60/67/01/573606701.db2.gz RYTMQPUUYIENSV-AXFHLTTASA-N 2 2 198.310 0.705 20 0 ACADLP C[C@H]([NH2+][C@H]1CC[N@@H+](C)C1)[C@@H]1CCOC1 223194494 573606706 /nfs/dbraw/zinc/60/67/06/573606706.db2.gz RYTMQPUUYIENSV-AXFHLTTASA-N 2 2 198.310 0.705 20 0 ACADLP C[NH+](C)CC(C)(C)NCc1[nH]cc[nH+]1 308612885 573521986 /nfs/dbraw/zinc/52/19/86/573521986.db2.gz GKRBCZVDYMDBGJ-UHFFFAOYSA-N 2 2 196.298 0.840 20 0 ACADLP C[C@H](N[C@H]1CCC[NH2+]C1)c1[nH]cc[nH+]1 124743271 573616299 /nfs/dbraw/zinc/61/62/99/573616299.db2.gz MGGZLZAMWIDFIA-IUCAKERBSA-N 2 2 194.282 0.812 20 0 ACADLP C[C@@H](Cn1cc[nH+]c1)[NH2+][C@H](C)CCO 308643756 573622216 /nfs/dbraw/zinc/62/22/16/573622216.db2.gz GHACGUHPWACQKU-ZJUUUORDSA-N 2 2 197.282 0.632 20 0 ACADLP C[C@H](NC(=O)[C@H](C)C[NH3+])c1[nH]cc[nH+]1 125026156 573750141 /nfs/dbraw/zinc/75/01/41/573750141.db2.gz OYFKRJSOTOILEP-RQJHMYQMSA-N 2 2 196.254 0.182 20 0 ACADLP c1[nH]c(C[NH2+][C@@H]2CCOC2)c[nH+]1 84080864 573760385 /nfs/dbraw/zinc/76/03/85/573760385.db2.gz ZVNSOAILFXAWSU-SSDOTTSWSA-N 2 2 167.212 0.288 20 0 ACADLP C[NH2+][C@@H](C)c1nc([C@@H]2CCC[NH2+]2)no1 258135727 573803716 /nfs/dbraw/zinc/80/37/16/573803716.db2.gz VBIOFKUCOMYECX-BQBZGAKWSA-N 2 2 196.254 0.775 20 0 ACADLP C[C@@H](CCO)[NH2+][C@H]1CC[N@@H+](C2CC2)C1 122888104 573844460 /nfs/dbraw/zinc/84/44/60/573844460.db2.gz QZRMTTAMQQJJRX-UWVGGRQHSA-N 2 2 198.310 0.584 20 0 ACADLP C[C@@H](CCO)[NH2+][C@H]1CC[N@H+](C2CC2)C1 122888104 573844464 /nfs/dbraw/zinc/84/44/64/573844464.db2.gz QZRMTTAMQQJJRX-UWVGGRQHSA-N 2 2 198.310 0.584 20 0 ACADLP [NH3+]C1(C[NH2+]Cc2cncs2)CC1 131594767 573896453 /nfs/dbraw/zinc/89/64/53/573896453.db2.gz GUBCUDNMXLYVKM-UHFFFAOYSA-N 2 2 183.280 0.724 20 0 ACADLP C[C@H](O)C[NH2+]CC[NH+]1CCCC1 41581996 573902239 /nfs/dbraw/zinc/90/22/39/573902239.db2.gz BAWJHBQNRIGIOQ-VIFPVBQESA-N 2 2 172.272 0.053 20 0 ACADLP C[C@@H]([NH2+]Cc1cnccn1)C1C[NH2+]C1 686251889 573992595 /nfs/dbraw/zinc/99/25/95/573992595.db2.gz ZCSKTBSCGHIQEM-MRVPVSSYSA-N 2 2 192.266 0.174 20 0 ACADLP [NH3+]C1CC([NH2+]Cc2nccs2)C1 87651737 573993558 /nfs/dbraw/zinc/99/35/58/573993558.db2.gz FIHCDWNZFCFZEL-UHFFFAOYSA-N 2 2 183.280 0.722 20 0 ACADLP CCn1c[nH+]cc1C[N@@H+]1CC[C@H](O)C1 85192456 574011021 /nfs/dbraw/zinc/01/10/21/574011021.db2.gz MNOAAQZDGVIJLC-JTQLQIEISA-N 2 2 195.266 0.470 20 0 ACADLP CCn1c[nH+]cc1C[N@H+]1CC[C@H](O)C1 85192456 574011028 /nfs/dbraw/zinc/01/10/28/574011028.db2.gz MNOAAQZDGVIJLC-JTQLQIEISA-N 2 2 195.266 0.470 20 0 ACADLP FCC[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 87689891 574017970 /nfs/dbraw/zinc/01/79/70/574017970.db2.gz MWLFIQGDYBJJHC-YUMQZZPRSA-N 2 2 158.220 0.107 20 0 ACADLP CC(C)[C@@H](C[NH+](C)C)[NH2+]C[C@@H](C)O 49205076 574025137 /nfs/dbraw/zinc/02/51/37/574025137.db2.gz DHEVFEMNCUBWQM-NXEZZACHSA-N 2 2 188.315 0.543 20 0 ACADLP C[NH2+]C[C@H]1CC[N@H+](CCF)C1 87776594 574031880 /nfs/dbraw/zinc/03/18/80/574031880.db2.gz RAYVXXKQPHSARG-MRVPVSSYSA-N 2 2 160.236 0.497 20 0 ACADLP C[NH2+]C[C@H]1CC[N@@H+](CCF)C1 87776594 574031882 /nfs/dbraw/zinc/03/18/82/574031882.db2.gz RAYVXXKQPHSARG-MRVPVSSYSA-N 2 2 160.236 0.497 20 0 ACADLP CC[N@@H+]1CCC[C@H]([NH2+][C@H]2C[C@@H](O)C2)C1 1182409450 761531363 /nfs/dbraw/zinc/53/13/63/761531363.db2.gz LIGRQKIKAAQALR-GARJFASQSA-N 2 2 198.310 0.584 20 0 ACADLP CC[N@H+]1CCC[C@H]([NH2+][C@H]2C[C@@H](O)C2)C1 1182409450 761531371 /nfs/dbraw/zinc/53/13/71/761531371.db2.gz LIGRQKIKAAQALR-GARJFASQSA-N 2 2 198.310 0.584 20 0 ACADLP CC[N@@H+]1CCC[C@@H]([NH2+][C@H]2C[C@@H](O)C2)C1 1182409456 761534145 /nfs/dbraw/zinc/53/41/45/761534145.db2.gz LIGRQKIKAAQALR-MXWKQRLJSA-N 2 2 198.310 0.584 20 0 ACADLP CC[N@H+]1CCC[C@@H]([NH2+][C@H]2C[C@@H](O)C2)C1 1182409456 761534148 /nfs/dbraw/zinc/53/41/48/761534148.db2.gz LIGRQKIKAAQALR-MXWKQRLJSA-N 2 2 198.310 0.584 20 0 ACADLP CC[N@@H+]1CCC[C@@H]([NH2+][C@H]2C[C@H](O)C2)C1 1206779953 762121356 /nfs/dbraw/zinc/12/13/56/762121356.db2.gz LIGRQKIKAAQALR-GMTAPVOTSA-N 2 2 198.310 0.584 20 0 ACADLP CC[N@H+]1CCC[C@@H]([NH2+][C@H]2C[C@H](O)C2)C1 1206779953 762121367 /nfs/dbraw/zinc/12/13/67/762121367.db2.gz LIGRQKIKAAQALR-GMTAPVOTSA-N 2 2 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