smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C(NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)N1CC(Oc2ccccc2F)C1 ZINC000426405492 231216432 /nfs/dbraw/zinc/21/64/32/231216432.db2.gz KSSZYVGLBJGSSI-GOSISDBHSA-N 1 1 383.467 3.120 50 0 GGAAMO O=C(NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)N1CC(Oc2ccccc2F)C1 ZINC000426405493 231216488 /nfs/dbraw/zinc/21/64/88/231216488.db2.gz KSSZYVGLBJGSSI-SFHVURJKSA-N 1 1 383.467 3.120 50 0 GGAAMO C[C@H](NC(=O)N1CCC2(CC1)C[N@@H+](C)CCCN2C)c1ccc(Cl)cc1 ZINC000426412305 231216971 /nfs/dbraw/zinc/21/69/71/231216971.db2.gz AETKKKPYQUSNBH-INIZCTEOSA-N 1 1 378.948 3.213 50 0 GGAAMO C[C@H](NC(=O)N1CCC2(CC1)CN(C)CCC[N@@H+]2C)c1ccc(Cl)cc1 ZINC000426412305 231216974 /nfs/dbraw/zinc/21/69/74/231216974.db2.gz AETKKKPYQUSNBH-INIZCTEOSA-N 1 1 378.948 3.213 50 0 GGAAMO C[C@H](NC(=O)N1CCC2(CC1)CN(C)CCC[N@H+]2C)c1ccc(Cl)cc1 ZINC000426412305 231216976 /nfs/dbraw/zinc/21/69/76/231216976.db2.gz AETKKKPYQUSNBH-INIZCTEOSA-N 1 1 378.948 3.213 50 0 GGAAMO Cc1ccc[nH+]c1N1CCN(C(=O)NCCc2ccc(OC(C)C)cc2)CC1 ZINC000426415651 231217748 /nfs/dbraw/zinc/21/77/48/231217748.db2.gz RSFJSQFFAJBWRZ-UHFFFAOYSA-N 1 1 382.508 3.252 50 0 GGAAMO Cc1ccc2[nH]c(CN(C)C(=O)NC[C@@H]3Cc4ccccc4C[N@H+]3C)nc2c1 ZINC000426424418 231218708 /nfs/dbraw/zinc/21/87/08/231218708.db2.gz WLHGIKPPYZFIDS-SFHVURJKSA-N 1 1 377.492 3.069 50 0 GGAAMO Cc1ccc2nc(CN(C)C(=O)NC[C@@H]3Cc4ccccc4C[N@@H+]3C)[nH]c2c1 ZINC000426424418 231218712 /nfs/dbraw/zinc/21/87/12/231218712.db2.gz WLHGIKPPYZFIDS-SFHVURJKSA-N 1 1 377.492 3.069 50 0 GGAAMO Cc1ccc2nc(CN(C)C(=O)NC[C@@H]3Cc4ccccc4C[N@H+]3C)[nH]c2c1 ZINC000426424418 231218716 /nfs/dbraw/zinc/21/87/16/231218716.db2.gz WLHGIKPPYZFIDS-SFHVURJKSA-N 1 1 377.492 3.069 50 0 GGAAMO COCCCN(C[C@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)c1cc(CC(C)C)n[nH]1 ZINC000409414553 231203307 /nfs/dbraw/zinc/20/33/07/231203307.db2.gz MJDYLKVEQWCGOC-WIYYLYMNSA-N 1 1 390.572 3.351 50 0 GGAAMO COCCCN(C[C@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)c1cc(CC(C)C)[nH]n1 ZINC000409414553 231203310 /nfs/dbraw/zinc/20/33/10/231203310.db2.gz MJDYLKVEQWCGOC-WIYYLYMNSA-N 1 1 390.572 3.351 50 0 GGAAMO COCCCN(C[C@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)c1cc(CC(C)C)[nH]n1 ZINC000409414553 231203314 /nfs/dbraw/zinc/20/33/14/231203314.db2.gz MJDYLKVEQWCGOC-WIYYLYMNSA-N 1 1 390.572 3.351 50 0 GGAAMO COCCCN(C[C@@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)c1ccc2nccnc2c1 ZINC000409414249 231203551 /nfs/dbraw/zinc/20/35/51/231203551.db2.gz JLLYFDNAGYJADG-SIKLNZKXSA-N 1 1 396.535 3.373 50 0 biogenic GGAAMO COCCN(C[C@@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)c1cc(CCC(C)C)n[nH]1 ZINC000409414904 231204056 /nfs/dbraw/zinc/20/40/56/231204056.db2.gz YMOPELVKFMIKIS-GHTZIAJQSA-N 1 1 390.572 3.351 50 0 biogenic GGAAMO COCCN(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)c1cc(CCC(C)C)[nH]n1 ZINC000409414904 231204058 /nfs/dbraw/zinc/20/40/58/231204058.db2.gz YMOPELVKFMIKIS-GHTZIAJQSA-N 1 1 390.572 3.351 50 0 biogenic GGAAMO COCCN(C[C@@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)c1cc(CCC(C)C)[nH]n1 ZINC000409414904 231204062 /nfs/dbraw/zinc/20/40/62/231204062.db2.gz YMOPELVKFMIKIS-GHTZIAJQSA-N 1 1 390.572 3.351 50 0 biogenic GGAAMO Cc1cc(-c2ccc(C(=O)N3CC[N@@H+](C)[C@@H](CCO)C3)cc2)nc2ccccc12 ZINC000426361260 231208819 /nfs/dbraw/zinc/20/88/19/231208819.db2.gz VUUDMJJMDHUEOP-FQEVSTJZSA-N 1 1 389.499 3.349 50 0 GGAAMO Cc1cc(-c2ccc(C(=O)N3CC[N@H+](C)[C@@H](CCO)C3)cc2)nc2ccccc12 ZINC000426361260 231208823 /nfs/dbraw/zinc/20/88/23/231208823.db2.gz VUUDMJJMDHUEOP-FQEVSTJZSA-N 1 1 389.499 3.349 50 0 GGAAMO O=C(NCCC[N@@H+]1CCCC[C@@H]1CO)N(Cc1cccc(Cl)c1)C1CC1 ZINC000426374147 231210397 /nfs/dbraw/zinc/21/03/97/231210397.db2.gz JDQRXVVICMNDBK-LJQANCHMSA-N 1 1 379.932 3.251 50 0 GGAAMO O=C(NC(c1ccccc1)c1ccccc1)N1CCC([NH+]2CCOCC2)CC1 ZINC000426380744 231210702 /nfs/dbraw/zinc/21/07/02/231210702.db2.gz UPDBBHPIRAKIDS-UHFFFAOYSA-N 1 1 379.504 3.282 50 0 GGAAMO Cn1ccnc1-c1ccc(C(=O)NC[C@H]2CCC[N@@H+](Cc3ccco3)C2)cc1 ZINC000426382960 231210991 /nfs/dbraw/zinc/21/09/91/231210991.db2.gz BDSABGNNBIVPBM-QGZVFWFLSA-N 1 1 378.476 3.322 50 0 GGAAMO Cn1ccnc1-c1ccc(C(=O)NC[C@@H]2CCC[N@@H+](Cc3ccco3)C2)cc1 ZINC000426382953 231211182 /nfs/dbraw/zinc/21/11/82/231211182.db2.gz BDSABGNNBIVPBM-KRWDZBQOSA-N 1 1 378.476 3.322 50 0 GGAAMO Cn1c(CN2CCCC2)nnc1[C@@H]1CCC[N@@H+](Cc2cc3ccccc3[nH]2)C1 ZINC000426493090 231228484 /nfs/dbraw/zinc/22/84/84/231228484.db2.gz VVIKZTWMLBLPHG-GOSISDBHSA-N 1 1 378.524 3.272 50 0 GGAAMO O=C(NCC[N@H+]1CCC[C@H](c2ccccc2)C1)N1CCC2(CCOCC2)CC1 ZINC000426523294 231235340 /nfs/dbraw/zinc/23/53/40/231235340.db2.gz ZWDJBFLMMYKQGV-NRFANRHFSA-N 1 1 385.552 3.468 50 0 GGAAMO Cn1nc(-c2ccccc2)cc1C(=O)N1CC[NH+](C2Cc3ccccc3C2)CC1 ZINC000426536595 231236851 /nfs/dbraw/zinc/23/68/51/231236851.db2.gz ZRYBIZRSEQDLCZ-UHFFFAOYSA-N 1 1 386.499 3.012 50 0 GGAAMO Cc1ccc(-c2cccc(C(=O)N3CCC[C@H](Cn4ccnc4)C3)c2)c(N)[nH+]1 ZINC000426544281 231238059 /nfs/dbraw/zinc/23/80/59/231238059.db2.gz CWKUDJPZRBUYSL-QGZVFWFLSA-N 1 1 375.476 3.388 50 0 GGAAMO Cc1ccccc1[C@H]1CC[N@@H+](CCNC(=O)N2CCC(c3cc[nH]n3)CC2)C1 ZINC000426589798 231243732 /nfs/dbraw/zinc/24/37/32/231243732.db2.gz PRMDSLGREHIERK-IBGZPJMESA-N 1 1 381.524 3.097 50 0 GGAAMO COCCC[N@H+]1CC[C@@H](CNC(=O)c2cccc(-c3ccc(O)c(F)c3)c2)C1 ZINC000426589864 231243743 /nfs/dbraw/zinc/24/37/43/231243743.db2.gz ZCKNPVBTJQDYAM-INIZCTEOSA-N 1 1 386.467 3.287 50 0 GGAAMO CO[C@]12CC[N@@H+](Cc3ccc(N(C)C)nc3)[C@H]1C[C@@H](Oc1ccccn1)CC2 ZINC000426640333 231248309 /nfs/dbraw/zinc/24/83/09/231248309.db2.gz CNXZKRSNCZOKKF-CNNODRBYSA-N 1 1 382.508 3.134 50 0 GGAAMO O=C(NC[C@H]1CC[N@H+](C2CCCCC2)C1)c1ccc(-c2cnc(=O)[nH]c2)cc1 ZINC000426674059 231252338 /nfs/dbraw/zinc/25/23/38/231252338.db2.gz KUJYATXYSIQCQV-MRXNPFEDSA-N 1 1 380.492 3.234 50 0 GGAAMO O=C(NCC[N@@H+]1CCC[C@H](CO)C1)c1ccc(-c2ccc3[nH]ccc3c2)cc1 ZINC000426715893 231255188 /nfs/dbraw/zinc/25/51/88/231255188.db2.gz KYNBMEFOVDKJHM-KRWDZBQOSA-N 1 1 377.488 3.269 50 0 GGAAMO CO[C@]12CC[N@@H+](Cc3ccc(N(C)C)nc3)[C@H]1C[C@H](Oc1ccccn1)CC2 ZINC000426723816 231255573 /nfs/dbraw/zinc/25/55/73/231255573.db2.gz CNXZKRSNCZOKKF-XQBPLPMBSA-N 1 1 382.508 3.134 50 0 GGAAMO CC[C@H](NC(=O)N1CCN(c2cc[nH+]cc2)CC1)c1nc2ccc(C)cc2[nH]1 ZINC000426536529 529491673 /nfs/dbraw/zinc/49/16/73/529491673.db2.gz RICWABNCMYSFFT-KRWDZBQOSA-N 1 1 378.480 3.249 50 0 GGAAMO CCc1ccc(CN2CCc3c(C(=O)N(C)[C@@H]4CC[N@@H+](C)C4)csc3C2)nc1 ZINC000426487427 529642471 /nfs/dbraw/zinc/64/24/71/529642471.db2.gz PNJLZVXOIKPALT-GOSISDBHSA-N 1 1 398.576 3.040 50 0 GGAAMO CCc1ccc(CN2CCc3c(C(=O)N4CC[NH+](CC)CC4)csc3C2)nc1 ZINC000426575160 529642911 /nfs/dbraw/zinc/64/29/11/529642911.db2.gz UAXVRDLBCFDSKC-UHFFFAOYSA-N 1 1 398.576 3.042 50 0 GGAAMO CCc1ccc(CN2CCc3c(C(=O)N4CCC[N@@H+](C)CC4)csc3C2)nc1 ZINC000426667335 529643137 /nfs/dbraw/zinc/64/31/37/529643137.db2.gz HMMLITZENGDWSS-UHFFFAOYSA-N 1 1 398.576 3.042 50 0 GGAAMO CCc1ccc(CN2CCc3c(C(=O)N[C@H]4CC[N@H+](CC)C4)csc3C2)nc1 ZINC000426515471 529644407 /nfs/dbraw/zinc/64/44/07/529644407.db2.gz CWDPCNXNZUTWCP-SFHVURJKSA-N 1 1 398.576 3.088 50 0 GGAAMO CCc1nc(N2CC[C@@]3(C2)CCCN(CCc2ccccc2)C3=O)cc(C)[nH+]1 ZINC000426487515 529730337 /nfs/dbraw/zinc/73/03/37/529730337.db2.gz RLYLOUTZFCLDAY-HSZRJFAPSA-N 1 1 378.520 3.409 50 0 GGAAMO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NCc1nc2cc(F)ccc2[nH]1 ZINC000426574922 529954863 /nfs/dbraw/zinc/95/48/63/529954863.db2.gz MNDDNCWDXSCGFI-KRWDZBQOSA-N 1 1 395.482 3.366 50 0 GGAAMO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NCc1nc2ccc(F)cc2[nH]1 ZINC000426574922 529954865 /nfs/dbraw/zinc/95/48/65/529954865.db2.gz MNDDNCWDXSCGFI-KRWDZBQOSA-N 1 1 395.482 3.366 50 0 GGAAMO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NCc1nc2ccc(F)cc2[nH]1 ZINC000426574922 529954867 /nfs/dbraw/zinc/95/48/67/529954867.db2.gz MNDDNCWDXSCGFI-KRWDZBQOSA-N 1 1 395.482 3.366 50 0 GGAAMO CN(Cc1cnc2ccccn12)C(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000426523289 530016349 /nfs/dbraw/zinc/01/63/49/530016349.db2.gz ZAZSGIWXNJRMJZ-LJQANCHMSA-N 1 1 377.492 3.140 50 0 GGAAMO C[NH+]1CCN(C(=O)c2ccnc(N3C[C@H](c4ccccc4)C(C)(C)C3)c2)CC1 ZINC000426529173 530069835 /nfs/dbraw/zinc/06/98/35/530069835.db2.gz AOWGVTJHACVQTN-HXUWFJFHSA-N 1 1 378.520 3.099 50 0 GGAAMO C[C@@H]1C[C@H](C)C[N@H+](C[C@H](O)COCCOc2ccc(Br)cc2)C1 ZINC000004186386 204031969 /nfs/dbraw/zinc/03/19/69/204031969.db2.gz CYYQCICIVGWIRA-UXLLHSPISA-N 1 1 386.330 3.183 50 0 GGAAMO CCOC(=O)c1ccc(NC(=O)N2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000004195919 204033505 /nfs/dbraw/zinc/03/35/05/204033505.db2.gz UMDMCEZEOUMHQH-UHFFFAOYSA-N 1 1 381.476 3.256 50 0 GGAAMO c1ccc(CN2CCOCCOCC[N@@H+](Cc3ccccc3)CCOCC2)cc1 ZINC000004257911 204036308 /nfs/dbraw/zinc/03/63/08/204036308.db2.gz XUNRUQFHVHCHDT-UHFFFAOYSA-N 1 1 398.547 3.054 50 0 GGAAMO CCCCCCOc1ccc(N2C(=O)C[C@@H]([NH+]3CCC(OC)CC3)C2=O)cc1 ZINC000004727896 204069102 /nfs/dbraw/zinc/06/91/02/204069102.db2.gz BQBMQYDOMKWQOK-HXUWFJFHSA-N 1 1 388.508 3.388 50 0 GGAAMO CCOC(=O)[C@H]1CCC[N@@H+](CCC(=O)Nc2ccc(Br)c(C)c2)C1 ZINC000004725063 204069414 /nfs/dbraw/zinc/06/94/14/204069414.db2.gz OPXBVBURIYYMJK-AWEZNQCLSA-N 1 1 397.313 3.361 50 0 GGAAMO COc1ccc(Br)cc1C[N@H+]1CCC[C@H](C(=O)N2CCCC2)C1 ZINC000004744857 204072362 /nfs/dbraw/zinc/07/23/62/204072362.db2.gz VTKBRGQVSXSKDN-AWEZNQCLSA-N 1 1 381.314 3.292 50 0 GGAAMO COc1cccc(N2C(=O)C[C@@H](Nc3ccc([NH+]4CCCCC4)cc3)C2=O)c1 ZINC000004810076 204076776 /nfs/dbraw/zinc/07/67/76/204076776.db2.gz ACULXCJZRBFEOH-HXUWFJFHSA-N 1 1 379.460 3.430 50 0 GGAAMO CCOC(=O)c1[nH]c2ccc(OC)cc2c1NC(=O)[C@H](C)[N@H+]1CCC[C@H](C)C1 ZINC000004837363 204080458 /nfs/dbraw/zinc/08/04/58/204080458.db2.gz UVLGBEOLPJWMGW-KBPBESRZSA-N 1 1 387.480 3.412 50 0 GGAAMO COc1ccc(C(=O)Nc2ccc(N3CC[NH+](C)CC3)c(Cl)c2)cc1OC ZINC000004412836 204044539 /nfs/dbraw/zinc/04/45/39/204044539.db2.gz GUIBSZHURFMJKH-UHFFFAOYSA-N 1 1 389.883 3.361 50 0 GGAAMO COc1ccc(OCC(=O)Nc2ccc(N3CC[NH+](C)CC3)c(Cl)c2)cc1 ZINC000004412841 204045145 /nfs/dbraw/zinc/04/51/45/204045145.db2.gz DPWPPCKCGULSEJ-UHFFFAOYSA-N 1 1 389.883 3.118 50 0 GGAAMO C[N@@H+]1CCc2c(sc3c2C(=O)N[C@H](c2ccc(Br)cc2)N3)C1 ZINC000004539054 204050733 /nfs/dbraw/zinc/05/07/33/204050733.db2.gz BHHAODBNIOCWMQ-AWEZNQCLSA-N 1 1 378.295 3.353 50 0 GGAAMO C[N@H+]1CCc2c(sc3c2C(=O)N[C@H](c2ccc(Br)cc2)N3)C1 ZINC000004539054 204050735 /nfs/dbraw/zinc/05/07/35/204050735.db2.gz BHHAODBNIOCWMQ-AWEZNQCLSA-N 1 1 378.295 3.353 50 0 GGAAMO CCOC(=O)C1C(C[NH2+]C2CCCCC2)=NC(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC000004689459 204064380 /nfs/dbraw/zinc/06/43/80/204064380.db2.gz ZYVLGZXPMFGDFX-GOSISDBHSA-N 1 1 391.899 3.433 50 0 GGAAMO Cc1cccc(C(=O)Nc2cccc(-c3ccc(N4CC[NH+](C)CC4)nn3)c2)c1 ZINC000004939863 204095006 /nfs/dbraw/zinc/09/50/06/204095006.db2.gz PWDXBKYCZKCKGM-UHFFFAOYSA-N 1 1 387.487 3.456 50 0 GGAAMO COc1ccccc1[C@H](CNC(=O)COc1ccc(Cl)c(C)c1)[NH+](C)C ZINC000007671225 204246097 /nfs/dbraw/zinc/24/60/97/204246097.db2.gz PGPNHINXFKEKLA-SFHVURJKSA-N 1 1 376.884 3.455 50 0 GGAAMO CC[N@H+](CC(=O)NCc1cccs1)Cc1cc(=O)oc2cc3c(cc12)CCC3 ZINC000007788932 204251799 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Cc1cccc(-n2ccnc2CN2CC[N@H+](Cc3ccsc3)[C@H](CCO)C2)c1 ZINC000039509224 205041909 /nfs/dbraw/zinc/04/19/09/205041909.db2.gz XEOFIKJYIHHXIE-OAQYLSRUSA-N 1 1 396.560 3.311 50 0 GGAAMO Cc1cccc(-n2ccnc2CN2CC[N@@H+](Cc3ccsc3)[C@H](CCO)C2)c1 ZINC000039509224 205041912 /nfs/dbraw/zinc/04/19/12/205041912.db2.gz XEOFIKJYIHHXIE-OAQYLSRUSA-N 1 1 396.560 3.311 50 0 GGAAMO O=C(C[NH+]1CCC(COCc2ccccc2)CC1)Nc1ccc2c(c1)OCCO2 ZINC000070637167 205023384 /nfs/dbraw/zinc/02/33/84/205023384.db2.gz WPSBCXYBNUTLJV-UHFFFAOYSA-N 1 1 396.487 3.325 50 0 GGAAMO COc1ccc(F)cc1S(=O)(=O)NCC[NH+]1CCC(c2cccs2)CC1 ZINC000077104175 205033146 /nfs/dbraw/zinc/03/31/46/205033146.db2.gz LHNVOENMVJSOLN-UHFFFAOYSA-N 1 1 398.525 3.054 50 0 GGAAMO Cc1cc(S(=O)(=O)NCC[NH+]2CCC(c3cccs3)CC2)ccc1F ZINC000077104148 205034237 /nfs/dbraw/zinc/03/42/37/205034237.db2.gz HPINTALHNHQCQA-UHFFFAOYSA-N 1 1 382.526 3.354 50 0 GGAAMO Cn1cc(C[N@H+]2CCN(Cc3ccccc3F)[C@H](CCO)C2)c2ccccc21 ZINC000039518817 205042721 /nfs/dbraw/zinc/04/27/21/205042721.db2.gz ATNKBFLDVDAFNI-HXUWFJFHSA-N 1 1 381.495 3.386 50 0 GGAAMO COc1ccc(CN2CC[N@H+](Cc3ccc(F)cc3)[C@H](CCO)C2)c(F)c1 ZINC000039442335 205042995 /nfs/dbraw/zinc/04/29/95/205042995.db2.gz XUIOXDSZMOCFEX-LJQANCHMSA-N 1 1 376.447 3.042 50 0 GGAAMO COc1ccc(CN2CC[N@@H+](Cc3ccc(F)cc3)[C@H](CCO)C2)c(F)c1 ZINC000039442335 205043000 /nfs/dbraw/zinc/04/30/00/205043000.db2.gz XUIOXDSZMOCFEX-LJQANCHMSA-N 1 1 376.447 3.042 50 0 GGAAMO Cc1ccc(-n2cccn2)c(CN2CC[N@@H+](Cc3cccs3)[C@H](CCO)C2)c1 ZINC000039430104 205043235 /nfs/dbraw/zinc/04/32/35/205043235.db2.gz XGINSEBYILGQLS-HXUWFJFHSA-N 1 1 396.560 3.311 50 0 GGAAMO Cc1ccc(-n2cccn2)c(C[N@@H+]2CCN(Cc3cccs3)[C@H](CCO)C2)c1 ZINC000039430104 205043240 /nfs/dbraw/zinc/04/32/40/205043240.db2.gz XGINSEBYILGQLS-HXUWFJFHSA-N 1 1 396.560 3.311 50 0 GGAAMO Cc1ccc(-n2cccn2)c(C[N@H+]2CCN(Cc3cccs3)[C@H](CCO)C2)c1 ZINC000039430104 205043245 /nfs/dbraw/zinc/04/32/45/205043245.db2.gz XGINSEBYILGQLS-HXUWFJFHSA-N 1 1 396.560 3.311 50 0 GGAAMO O=C(NC[C@@H]1CCC[N@H+]2CCCC[C@H]12)c1cn(C2CC2)c(=O)c2ccccc12 ZINC000079191195 205055494 /nfs/dbraw/zinc/05/54/94/205055494.db2.gz QJUITBQBAORMSN-HRAATJIYSA-N 1 1 379.504 3.331 50 0 biogenic GGAAMO CC(C)C[C@@H](C(=O)NC[C@@H]1CCC[N@H+]2CCCC[C@H]12)N1Cc2ccccc2C1=O ZINC000079191810 205058033 /nfs/dbraw/zinc/05/80/33/205058033.db2.gz YTTCIZVZZGMEQV-BWAGFHJFSA-N 1 1 397.563 3.438 50 0 biogenic GGAAMO O=C(COc1coc(C[NH+]2CCCCC2)cc1=O)Nc1ccc(F)c(Cl)c1 ZINC000044901749 205089661 /nfs/dbraw/zinc/08/96/61/205089661.db2.gz KVBCFZNHJDONLS-UHFFFAOYSA-N 1 1 394.830 3.436 50 0 GGAAMO C[C@@H]1CCC[N@@H+](Cc2ccc(-c3nc(CCn4cccn4)cc(=O)[nH]3)cc2)C1 ZINC000048087896 205112676 /nfs/dbraw/zinc/11/26/76/205112676.db2.gz AVBZFMTYIYXORG-QGZVFWFLSA-N 1 1 377.492 3.108 50 0 GGAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)c1sc(-c2ccc(OC)c(OC)c2)nc1C ZINC000053274980 205135443 /nfs/dbraw/zinc/13/54/43/205135443.db2.gz SMKICSFSAHPQSE-OAHLLOKOSA-N 1 1 389.521 3.350 50 0 GGAAMO C[C@H](CCc1ccccc1)[NH+]1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000054967134 205141067 /nfs/dbraw/zinc/14/10/67/205141067.db2.gz AWTPXRYNWWQJLG-QGZVFWFLSA-N 1 1 376.497 3.153 50 0 GGAAMO COc1ccccc1-n1cc(-c2ccnc(NCC[C@H]3CCC[N@H+]3C)n2)cn1 ZINC000055060934 205141318 /nfs/dbraw/zinc/14/13/18/205141318.db2.gz PCURNESJVHMDOH-QGZVFWFLSA-N 1 1 378.480 3.234 50 0 GGAAMO O=C(c1ccc2c(c1)OCO2)[C@@H]1CCC[N@@H+](Cc2cccc3nccnc23)C1 ZINC000055060933 205141466 /nfs/dbraw/zinc/14/14/66/205141466.db2.gz IUDLOCVLFCDUCR-QGZVFWFLSA-N 1 1 375.428 3.453 50 0 GGAAMO Cn1cnnc1Sc1ccc(CN2CC[C@@]3(C2)CCC[N@@H+](CC2CC2)C3)o1 ZINC000055061207 205141539 /nfs/dbraw/zinc/14/15/39/205141539.db2.gz MGLIJXUKCLFXBA-FQEVSTJZSA-N 1 1 387.553 3.257 50 0 GGAAMO Cn1cnnc1Sc1ccc(CN2CC[C@]3(C2)CCC[N@@H+](CC2CC2)C3)o1 ZINC000055061208 205142364 /nfs/dbraw/zinc/14/23/64/205142364.db2.gz MGLIJXUKCLFXBA-HXUWFJFHSA-N 1 1 387.553 3.257 50 0 GGAAMO CCOc1ccc(C(=O)N2CC[NH+](CCc3ccccc3)CC2)cc1OCC ZINC000055060344 205142408 /nfs/dbraw/zinc/14/24/08/205142408.db2.gz VRUXUCMTIDHMSW-UHFFFAOYSA-N 1 1 382.504 3.485 50 0 GGAAMO Cc1c(C[N@H+]2CCCN(c3nc(C)c4cc(C)c(C)cc4n3)CC2)cnn1C ZINC000055133892 205143650 /nfs/dbraw/zinc/14/36/50/205143650.db2.gz PEQSRZRFHIDHGG-UHFFFAOYSA-N 1 1 378.524 3.309 50 0 GGAAMO COc1ccc(-c2nc(C[N@@H+]3CCCN(c4ncccn4)CC3)c(C)o2)cc1 ZINC000055254045 205144662 /nfs/dbraw/zinc/14/46/62/205144662.db2.gz MHTPEPOUHNUFII-UHFFFAOYSA-N 1 1 379.464 3.161 50 0 GGAAMO COc1ccc(-c2nc(C[N@H+]3CCCN(c4ncccn4)CC3)c(C)o2)cc1 ZINC000055254045 205144667 /nfs/dbraw/zinc/14/46/67/205144667.db2.gz MHTPEPOUHNUFII-UHFFFAOYSA-N 1 1 379.464 3.161 50 0 GGAAMO CCOC(=O)C1=C(C[N@@H+]2CCCC[C@@H]2C)NC(=O)N[C@H]1c1ccc(Cl)cc1 ZINC000055220582 205144696 /nfs/dbraw/zinc/14/46/96/205144696.db2.gz ZGOMKRUTEYVKMA-UGSOOPFHSA-N 1 1 391.899 3.386 50 0 GGAAMO CCOC(=O)C1=C(C[N@H+]2CCCC[C@@H]2C)NC(=O)N[C@H]1c1ccc(Cl)cc1 ZINC000055220582 205144700 /nfs/dbraw/zinc/14/47/00/205144700.db2.gz ZGOMKRUTEYVKMA-UGSOOPFHSA-N 1 1 391.899 3.386 50 0 GGAAMO CCOC(=O)C1C(C[N@@H+]2CCCC[C@@H]2C)=NC(=O)N[C@H]1c1ccc(Cl)cc1 ZINC000055220582 205144708 /nfs/dbraw/zinc/14/47/08/205144708.db2.gz ZGOMKRUTEYVKMA-UGSOOPFHSA-N 1 1 391.899 3.386 50 0 GGAAMO CCOC(=O)C1C(C[N@H+]2CCCC[C@@H]2C)=NC(=O)N[C@H]1c1ccc(Cl)cc1 ZINC000055220582 205144713 /nfs/dbraw/zinc/14/47/13/205144713.db2.gz ZGOMKRUTEYVKMA-UGSOOPFHSA-N 1 1 391.899 3.386 50 0 GGAAMO Cc1ccc(F)c(NC(=O)CCC(=O)NCC[N@H+]2CCc3ccccc3C2)c1 ZINC000055211276 205144994 /nfs/dbraw/zinc/14/49/94/205144994.db2.gz JQSWJKGPZKYSEB-UHFFFAOYSA-N 1 1 383.467 3.027 50 0 GGAAMO CCOC(=O)C1=C(C[NH+]2CCCCCC2)NC(=O)N[C@H]1c1ccc(Cl)cc1 ZINC000055226522 205145811 /nfs/dbraw/zinc/14/58/11/205145811.db2.gz HAGRHDHXBGGFJA-SFHVURJKSA-N 1 1 391.899 3.387 50 0 GGAAMO CCCCc1nc(C[NH+]2CCC(CCC(=O)NC[C@@H]3CCCO3)CC2)c[nH]1 ZINC000055254360 205146235 /nfs/dbraw/zinc/14/62/35/205146235.db2.gz HHUUGSKPZUWMHX-IBGZPJMESA-N 1 1 376.545 3.040 50 0 GGAAMO CCOC(=O)c1n[nH]cc1C[NH2+][C@H]1CC(C)(C)Cc2nc(C(C)(C)C)ncc21 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BYXLHTYAXYMYQO-NRFANRHFSA-N 1 1 393.487 3.380 50 0 GGAAMO CCOC(=O)C1=C(C[N@H+](CC)Cc2ccccc2)NC(=O)N[C@H]1c1ccccc1 ZINC000057414342 205156251 /nfs/dbraw/zinc/15/62/51/205156251.db2.gz BYXLHTYAXYMYQO-NRFANRHFSA-N 1 1 393.487 3.380 50 0 GGAAMO CCOC(=O)C1=C(C[N@@H+](CC)Cc2ccccc2)NC(=O)N[C@H]1c1ccccc1 ZINC000057414342 205156255 /nfs/dbraw/zinc/15/62/55/205156255.db2.gz BYXLHTYAXYMYQO-NRFANRHFSA-N 1 1 393.487 3.380 50 0 GGAAMO CCc1ccc([C@H]2NC(=O)N=C(C[N@H+](C)Cc3ccccc3)C2C(=O)OC)cc1 ZINC000057415143 205156336 /nfs/dbraw/zinc/15/63/36/205156336.db2.gz DGTBNAURIMWUJB-OAQYLSRUSA-N 1 1 393.487 3.162 50 0 GGAAMO CCc1ccc([C@H]2NC(=O)N=C(C[N@@H+](C)Cc3ccccc3)C2C(=O)OC)cc1 ZINC000057415143 205156339 /nfs/dbraw/zinc/15/63/39/205156339.db2.gz DGTBNAURIMWUJB-OAQYLSRUSA-N 1 1 393.487 3.162 50 0 GGAAMO COC(=O)C1C(C[N@H+](C)Cc2ccccc2)=NC(=O)N[C@H]1c1cccc(Cl)c1 ZINC000057415027 205156488 /nfs/dbraw/zinc/15/64/88/205156488.db2.gz CZXCTNPFQULKSD-IBGZPJMESA-N 1 1 399.878 3.253 50 0 GGAAMO COC(=O)C1C(C[N@@H+](C)Cc2ccccc2)=NC(=O)N[C@H]1c1cccc(Cl)c1 ZINC000057415027 205156491 /nfs/dbraw/zinc/15/64/91/205156491.db2.gz CZXCTNPFQULKSD-IBGZPJMESA-N 1 1 399.878 3.253 50 0 GGAAMO Cc1ccc2c(C(=O)N3CC[N@H+]4CCC[C@@H]4C3)cc(-c3cnn(C)c3)nc2c1C ZINC000063871621 205187005 /nfs/dbraw/zinc/18/70/05/205187005.db2.gz PVBAWSFRLZKDEZ-GOSISDBHSA-N 1 1 389.503 3.172 50 0 GGAAMO Cc1ccc2c(c1)nc(-c1cnn(C)c1)cc2C(=O)N1CCC[N@H+](C)C[C@@H]1C ZINC000063868120 205187369 /nfs/dbraw/zinc/18/73/69/205187369.db2.gz YGJQJLUJMYTYOI-INIZCTEOSA-N 1 1 377.492 3.110 50 0 GGAAMO Cc1ccc2c(C(=O)N3CC[N@H+](C)[C@@H](C)C3)cc(-c3cnn(C)c3)nc2c1C ZINC000063855951 205187860 /nfs/dbraw/zinc/18/78/60/205187860.db2.gz GFDHWOYAECXZMB-HNNXBMFYSA-N 1 1 377.492 3.028 50 0 GGAAMO Cc1ccc2c(C(=O)N3CC[N@@H+](C)[C@@H](C)C3)cc(-c3cnn(C)c3)nc2c1C ZINC000063855951 205187863 /nfs/dbraw/zinc/18/78/63/205187863.db2.gz GFDHWOYAECXZMB-HNNXBMFYSA-N 1 1 377.492 3.028 50 0 GGAAMO Cc1cc(C)c2nc(-c3cnn(C)c3)cc(C(=O)N3CC[N@H+]4CCC[C@@H]4C3)c2c1 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Cc1n[nH]c(C2CC2)c1-c1ccc(C(=O)NCC[C@@H](C)[NH+]2CCOCC2)cc1 ZINC000534671352 570920812 /nfs/dbraw/zinc/92/08/12/570920812.db2.gz GLKQWMUPLLJWQM-OAHLLOKOSA-N 1 1 382.508 3.103 50 0 GGAAMO CN(Cc1cccc2ncccc12)C(=O)NC1(C[NH+]2CCOCC2)CCCC1 ZINC000534672475 570921135 /nfs/dbraw/zinc/92/11/35/570921135.db2.gz MMJVTENRDOHQLA-UHFFFAOYSA-N 1 1 382.508 3.021 50 0 GGAAMO Cc1nn2c(nc(C)cc2NCCC[NH+]2CCOCC2)c1-c1ccc(C)cc1 ZINC000019212029 570960916 /nfs/dbraw/zinc/96/09/16/570960916.db2.gz UQUCGOXUFDCSPZ-UHFFFAOYSA-N 1 1 379.508 3.456 50 0 GGAAMO Cc1ccccc1C[N@H+]1CCN(Cc2c(F)ccc(F)c2F)C[C@@H]1CCO ZINC000020601036 570961589 /nfs/dbraw/zinc/96/15/89/570961589.db2.gz OTZFYUUARQWEAV-KRWDZBQOSA-N 1 1 378.438 3.481 50 0 GGAAMO O=C(NC1CC1)[C@@H]1CCC[N@H+](C2CCN(Cc3ccc(Cl)cc3)CC2)C1 ZINC000019222315 570963431 /nfs/dbraw/zinc/96/34/31/570963431.db2.gz WOCKBVHYUTUALB-QGZVFWFLSA-N 1 1 375.944 3.295 50 0 GGAAMO O=C(NC1CC1)[C@H]1CCC[N@H+](C2CCN(Cc3ccc(Cl)cc3)CC2)C1 ZINC000019222319 570963503 /nfs/dbraw/zinc/96/35/03/570963503.db2.gz WOCKBVHYUTUALB-KRWDZBQOSA-N 1 1 375.944 3.295 50 0 GGAAMO COc1ccc([C@@H]2[C@@H]3CCCC[C@@]3(O)CC[N@@H+]2CC(=O)NCc2ccco2)cc1 ZINC000002154884 570973592 /nfs/dbraw/zinc/97/35/92/570973592.db2.gz VHXFHGSCIYIYMT-MDNUFGMLSA-N 1 1 398.503 3.273 50 0 GGAAMO COc1ccc([C@@H]2[C@@H]3CCCC[C@@]3(O)CC[N@H+]2CC(=O)NCc2ccco2)cc1 ZINC000002154884 570973598 /nfs/dbraw/zinc/97/35/98/570973598.db2.gz VHXFHGSCIYIYMT-MDNUFGMLSA-N 1 1 398.503 3.273 50 0 GGAAMO COc1ccc(F)c(CN2CC[N@H+](Cc3ccc(F)cc3)[C@@H](CCO)C2)c1 ZINC000019335892 570976094 /nfs/dbraw/zinc/97/60/94/570976094.db2.gz PNFTUSFSDUVSMT-IBGZPJMESA-N 1 1 376.447 3.042 50 0 GGAAMO COc1ccc(F)c(CN2CC[N@@H+](Cc3ccc(F)cc3)[C@@H](CCO)C2)c1 ZINC000019335892 570976096 /nfs/dbraw/zinc/97/60/96/570976096.db2.gz PNFTUSFSDUVSMT-IBGZPJMESA-N 1 1 376.447 3.042 50 0 GGAAMO COc1cc(-c2nc3ccc(N4CC[NH+](C)CC4)cc3[nH]2)cc(OC)c1OC ZINC000001390266 570978002 /nfs/dbraw/zinc/97/80/02/570978002.db2.gz MDRZBFNKPZFCGE-UHFFFAOYSA-N 1 1 382.464 3.008 50 0 GGAAMO COc1ccccc1N1CC[NH+](C[C@H](O)COc2ccc(Cl)c(C)c2)CC1 ZINC000023224664 570987976 /nfs/dbraw/zinc/98/79/76/570987976.db2.gz JJFYSIVQHGTSDO-KRWDZBQOSA-N 1 1 390.911 3.219 50 0 GGAAMO COc1cc(CN2CC[N@@H+](Cc3ccccc3C)C[C@@H]2CCO)cc(OC)c1 ZINC000019535741 570999453 /nfs/dbraw/zinc/99/94/53/570999453.db2.gz YONFSNZFIVMVDK-NRFANRHFSA-N 1 1 384.520 3.081 50 0 GGAAMO CC[N@H+]1CCc2nc[nH]c2C12CCN(C(=O)c1ccc3oc(C)cc3c1)CC2 ZINC000091254488 571001198 /nfs/dbraw/zinc/00/11/98/571001198.db2.gz AERODKYHYDXUEN-UHFFFAOYSA-N 1 1 378.476 3.474 50 0 GGAAMO CS[C@@H](C)CC[NH+]1CCC2(CC1)c1[nH]cnc1CCN2C(=O)C1CCC1 ZINC000091255366 571001759 /nfs/dbraw/zinc/00/17/59/571001759.db2.gz HDSSEACTICIWGO-HNNXBMFYSA-N 1 1 376.570 3.027 50 0 GGAAMO Cc1ncsc1C[N@H+]1CCC[C@@]2(CCC(=O)N(CCc3ccccn3)C2)C1 ZINC000091270633 571002407 /nfs/dbraw/zinc/00/24/07/571002407.db2.gz CYRLBAWNSAQCGC-OAQYLSRUSA-N 1 1 384.549 3.294 50 0 GGAAMO COc1ccc(C[NH+]2CCN(Cc3cc(OC)c(OC)cc3OC)CC2)cc1 ZINC000019555355 571003016 /nfs/dbraw/zinc/00/30/16/571003016.db2.gz YJFVELDWSVUCDY-UHFFFAOYSA-N 1 1 386.492 3.039 50 0 GGAAMO COc1cccc(-c2n[nH]cc2C(=O)N2CC[NH+](CCc3ccccc3)CC2)c1 ZINC000091320063 571003035 /nfs/dbraw/zinc/00/30/35/571003035.db2.gz NCKYMLDQCNWXPW-UHFFFAOYSA-N 1 1 390.487 3.086 50 0 GGAAMO O=C(Cn1ccnc1-c1ccccc1)N1CCC[N@@H+](Cc2cccs2)CC1 ZINC000091390672 571005857 /nfs/dbraw/zinc/00/58/57/571005857.db2.gz LXYZVLXYEWDSNQ-UHFFFAOYSA-N 1 1 380.517 3.346 50 0 GGAAMO CC[N@H+]1CCc2nc[nH]c2C12CCN(C(=O)c1scc3c1CCCC3)CC2 ZINC000091441468 571008173 /nfs/dbraw/zinc/00/81/73/571008173.db2.gz ZLVBBLQUKMRMED-UHFFFAOYSA-N 1 1 384.549 3.360 50 0 GGAAMO CCc1[nH+]ccn1CCC(=O)N[C@@H](C)c1cnn(-c2ccc(F)cc2F)c1C ZINC000091441406 571008264 /nfs/dbraw/zinc/00/82/64/571008264.db2.gz HIGHJDKBWSUHNI-ZDUSSCGKSA-N 1 1 387.434 3.485 50 0 GGAAMO COCCN(C)C[C@@H]1C[N@@H+](Cc2cccc3c4ccccc4oc32)C[C@@H]1CO ZINC000091487000 571010985 /nfs/dbraw/zinc/01/09/85/571010985.db2.gz QKVPRESQNZDHCF-RTBURBONSA-N 1 1 382.504 3.205 50 0 GGAAMO O=C(c1ccc2cccc(F)c2n1)N1CC[NH+](C2Cc3ccccc3C2)CC1 ZINC000091550906 571014219 /nfs/dbraw/zinc/01/42/19/571014219.db2.gz JCHVQBFGZPMEDK-UHFFFAOYSA-N 1 1 375.447 3.299 50 0 GGAAMO CC[N@H+]1C[C@H](c2ccccc2)CC2(CCN(C(=O)c3ccc(=O)[nH]c3)CC2)C1 ZINC000091594065 571016392 /nfs/dbraw/zinc/01/63/92/571016392.db2.gz CKAZWJAEKSFKNC-HXUWFJFHSA-N 1 1 379.504 3.107 50 0 GGAAMO Cc1cc(C)c2[nH]c(C[N@H+]3CCCC[C@H]3CCN3CCN(C)CC3)cc(=O)c2c1 ZINC000091626424 571020303 /nfs/dbraw/zinc/02/03/03/571020303.db2.gz NCJXOKKMPJJEII-NRFANRHFSA-N 1 1 396.579 3.137 50 0 GGAAMO Cc1cc(C)c2[nH]c(C[N@@H+]3CCCC[C@H]3CCN3CCN(C)CC3)cc(=O)c2c1 ZINC000091626424 571020304 /nfs/dbraw/zinc/02/03/04/571020304.db2.gz NCJXOKKMPJJEII-NRFANRHFSA-N 1 1 396.579 3.137 50 0 GGAAMO Cc1c2ccc(C)cc2oc1C(=O)N1CCC2(CC1)c1[nH]cnc1CC[N@H+]2C ZINC000091643774 571020649 /nfs/dbraw/zinc/02/06/49/571020649.db2.gz PXFUBYGLBXAXBU-UHFFFAOYSA-N 1 1 378.476 3.392 50 0 GGAAMO Cc1c2ccc(C)cc2oc1C(=O)N1CCC2(CC1)c1[nH]cnc1CC[N@@H+]2C ZINC000091643774 571020653 /nfs/dbraw/zinc/02/06/53/571020653.db2.gz PXFUBYGLBXAXBU-UHFFFAOYSA-N 1 1 378.476 3.392 50 0 GGAAMO COc1c(F)cc(CN2CCC3(CC2)c2[nH]cnc2CC[N@@H+]3C)cc1Cl ZINC000091644065 571021418 /nfs/dbraw/zinc/02/14/18/571021418.db2.gz GIKZPKSBNDUIJK-UHFFFAOYSA-N 1 1 378.879 3.190 50 0 GGAAMO C[NH+]1CCN(C(=O)CC[C@H]2CCCN(C(=O)CCCCc3ccccc3)C2)CC1 ZINC000019609128 571021707 /nfs/dbraw/zinc/02/17/07/571021707.db2.gz CBOIBVSYCDYDAM-JOCHJYFZSA-N 1 1 399.579 3.192 50 0 GGAAMO O=C(CCc1ccncc1)NCc1cc2n(n1)CCC[N@H+](C1CCCCC1)C2 ZINC000091657001 571023683 /nfs/dbraw/zinc/02/36/83/571023683.db2.gz NZSKKJVUVFPWFI-UHFFFAOYSA-N 1 1 381.524 3.066 50 0 GGAAMO O=C1[C@@H](c2ccccc2)CC2(CC[NH+](Cc3ncccn3)CC2)CN1C1CC1 ZINC000091663406 571024290 /nfs/dbraw/zinc/02/42/90/571024290.db2.gz MGIIKTFYSVEWDR-HXUWFJFHSA-N 1 1 376.504 3.237 50 0 GGAAMO CC(=O)N1CCc2[nH]cnc2C12CC[NH+](Cc1cccc(Cl)c1F)CC2 ZINC000091745194 571028277 /nfs/dbraw/zinc/02/82/77/571028277.db2.gz MIZIYOLAYSUUEU-UHFFFAOYSA-N 1 1 376.863 3.098 50 0 GGAAMO Cc1ccc(C(=O)CCC[N@H+]2CCC[C@@]3(CCC(=O)N(CCCO)C3)C2)cc1 ZINC000091746639 571029232 /nfs/dbraw/zinc/02/92/32/571029232.db2.gz KQOXGACOROFFKB-HSZRJFAPSA-N 1 1 386.536 3.045 50 0 GGAAMO CCCCn1cc[nH+]c1C1CCN(Cc2ccc(S(C)(=O)=O)cc2)CC1 ZINC000091746907 571029252 /nfs/dbraw/zinc/02/92/52/571029252.db2.gz PANBQEVSFXQUAQ-UHFFFAOYSA-N 1 1 375.538 3.466 50 0 GGAAMO CCc1nnsc1C(=O)N1C[C@H]2CC[C@@H]1C[N@@H+](CCCc1ccccc1)C2 ZINC000091746970 571029319 /nfs/dbraw/zinc/02/93/19/571029319.db2.gz CRNADMMKJBEQCJ-ZWKOTPCHSA-N 1 1 384.549 3.270 50 0 GGAAMO COc1ccc(/C=C/C[N@H+]2C[C@H]3CC[C@@H]2CN(C(=O)c2ccncc2)C3)cc1 ZINC000091746840 571029329 /nfs/dbraw/zinc/02/93/29/571029329.db2.gz IEFPCFGRHMRKJO-VSAQJFMZSA-N 1 1 377.488 3.340 50 0 GGAAMO COCC(=O)NCc1cc2n(n1)CCC[N@@H+](CCC1=C(C)CCCC1(C)C)C2 ZINC000091768918 571029849 /nfs/dbraw/zinc/02/98/49/571029849.db2.gz YQDQSZHJHHZKAZ-UHFFFAOYSA-N 1 1 388.556 3.268 50 0 GGAAMO c1coc(-c2ncc(-c3cn([C@H]4CCC[N@H+](Cc5cccnc5)C4)nn3)cn2)c1 ZINC000091770319 571030324 /nfs/dbraw/zinc/03/03/24/571030324.db2.gz APAGCYPJWNFHSF-SFHVURJKSA-N 1 1 387.447 3.227 50 0 GGAAMO CC[N@H+]1C[C@H](c2ccccc2)CC2(CCN(C(=O)c3ccc[nH]c3=O)CC2)C1 ZINC000091820163 571032280 /nfs/dbraw/zinc/03/22/80/571032280.db2.gz LBSFZAIKBLSBOX-LJQANCHMSA-N 1 1 379.504 3.107 50 0 GGAAMO O=C(c1ccc(OC(F)F)cc1)N1C[C@H]2CC[C@@H]1C[N@@H+](Cc1cccnc1)C2 ZINC000091830540 571032285 /nfs/dbraw/zinc/03/22/85/571032285.db2.gz ILKFTZOMVMQGBA-FUHWJXTLSA-N 1 1 387.430 3.420 50 0 GGAAMO COc1cccc(OC)c1C[N@H+]1C[C@H]2CC[C@@H](C1)C(=O)N2Cc1ccccc1 ZINC000091848951 571033162 /nfs/dbraw/zinc/03/31/62/571033162.db2.gz HVDDVEQLWPNLHI-RBUKOAKNSA-N 1 1 380.488 3.327 50 0 GGAAMO Cc1cc(C)c2[nH]c(C[N@H+]3CCCN(Cc4cccnc4)CC3)cc(=O)c2c1 ZINC000091873194 571034699 /nfs/dbraw/zinc/03/46/99/571034699.db2.gz GRUISCJWKTXEKN-UHFFFAOYSA-N 1 1 376.504 3.248 50 0 GGAAMO Cc1ccc(C(=O)N2CCC3(CC2)c2[nH]cnc2CC[N@@H+]3CC(C)C)cc1O ZINC000092046061 571042385 /nfs/dbraw/zinc/04/23/85/571042385.db2.gz QFLYDKUJMHLJHV-UHFFFAOYSA-N 1 1 382.508 3.069 50 0 GGAAMO CCn1nc(C)c(C[N@H+]2C[C@@H](c3cccc(O)c3)[C@@H]3[C@H]2C2CCN3CC2)c1C ZINC000095353523 571050876 /nfs/dbraw/zinc/05/08/76/571050876.db2.gz HXOQCSFDOJSPBL-YTFSRNRJSA-N 1 1 380.536 3.288 50 0 GGAAMO COCc1cccc(C(=O)N2C[C@H]3CC[C@@H]2C[N@@H+](Cc2ccc(F)cc2)C3)n1 ZINC000095354052 571051047 /nfs/dbraw/zinc/05/10/47/571051047.db2.gz LYJBXKLZNKGGSE-FXAWDEMLSA-N 1 1 383.467 3.104 50 0 GGAAMO OCCOc1ccc(C[N@H+]2C[C@H]3CC[C@@H]2CN(Cc2ccc(F)cc2)C3)cc1 ZINC000095359604 571054173 /nfs/dbraw/zinc/05/41/73/571054173.db2.gz QEXVPWOPIPCKOP-RBBKRZOGSA-N 1 1 384.495 3.293 50 0 GGAAMO OCCOc1ccc(CN2C[C@H]3CC[C@@H]2C[N@H+](Cc2ccc(F)cc2)C3)cc1 ZINC000095359604 571054174 /nfs/dbraw/zinc/05/41/74/571054174.db2.gz QEXVPWOPIPCKOP-RBBKRZOGSA-N 1 1 384.495 3.293 50 0 GGAAMO OCCOc1ccc(CN2C[C@H]3CC[C@@H]2C[N@@H+](Cc2ccc(F)cc2)C3)cc1 ZINC000095359604 571054178 /nfs/dbraw/zinc/05/41/78/571054178.db2.gz QEXVPWOPIPCKOP-RBBKRZOGSA-N 1 1 384.495 3.293 50 0 GGAAMO 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388.404 3.452 50 0 biogenic GGAAMO COP(=O)(OC)[C@@H](c1ccccc1)[N@@H+]1C[C@H]2C[C@H](Cn3c(=O)cccc32)C1 ZINC000020112838 1399343126 /nfs/dbraw/zinc/34/31/26/1399343126.db2.gz MSZLEHJCFOZXCK-VPWXQRGCSA-N 1 1 388.404 3.452 50 0 biogenic GGAAMO CSc1ccc(C[N@H+]2CCC[C@@H](n3cc(C(=O)N4CCCC4)nn3)C2)cc1 ZINC000020271750 1399344224 /nfs/dbraw/zinc/34/42/24/1399344224.db2.gz WDERRRPXGCFCFJ-QGZVFWFLSA-N 1 1 385.537 3.073 50 0 GGAAMO CC[NH+]1CCN([C@H](c2cccs2)[C@@H](C)NC(=O)c2ccccc2OC)CC1 ZINC000020288047 1399344502 /nfs/dbraw/zinc/34/45/02/1399344502.db2.gz MACAZKWFHIOMAL-UZLBHIALSA-N 1 1 387.549 3.254 50 0 GGAAMO O=C(NCC(F)(F)F)[C@H]1CCC[N@H+](C2CCN(CCc3ccccc3)CC2)C1 ZINC000020450907 1399346275 /nfs/dbraw/zinc/34/62/75/1399346275.db2.gz UVAZZGGGDPHMAZ-SFHVURJKSA-N 1 1 397.485 3.084 50 0 GGAAMO OCC[C@H]1CN(Cc2cccn2-c2cccnc2)CC[N@H+]1CC1CCCCC1 ZINC000020534935 1399348107 /nfs/dbraw/zinc/34/81/07/1399348107.db2.gz LYMRPLVGXNULSX-QFIPXVFZSA-N 1 1 382.552 3.321 50 0 GGAAMO OCC[C@@H]1CN(Cc2cccn2-c2cccnc2)CC[N@H+]1Cc1cccs1 ZINC000020598589 1399349106 /nfs/dbraw/zinc/34/91/06/1399349106.db2.gz LNZYVFMWJKFEQT-LJQANCHMSA-N 1 1 382.533 3.003 50 0 GGAAMO O[C@H](COc1ccccc1CN1CCc2ccccc2C1)C[NH+]1CCSCC1 ZINC000020598741 1399349288 /nfs/dbraw/zinc/34/92/88/1399349288.db2.gz VVSIIOHASYGDEN-QFIPXVFZSA-N 1 1 398.572 3.033 50 0 GGAAMO c1cn(CC[NH+]2CCOCC2)nc1-c1cccc(-c2ccc3c(c2)OCO3)c1 ZINC000020613944 1399350163 /nfs/dbraw/zinc/35/01/63/1399350163.db2.gz BXUQZMWDCXFCKM-UHFFFAOYSA-N 1 1 377.444 3.278 50 0 GGAAMO CCOC(=O)N1CC[NH+](C[C@H]2C(=O)O[C@@H]3C[C@@]4(C)CCC[C@H](C)C4=C[C@@H]32)CC1 ZINC000020609750 1399350285 /nfs/dbraw/zinc/35/02/85/1399350285.db2.gz NGNDKPBQSHRIRV-GADAEZOWSA-N 1 1 390.524 3.075 50 0 biogenic GGAAMO CC(=O)N[C@H](CC(C)C)c1nnc2n1CC[N@H+](Cc1cc3ccccc3o1)CC2 ZINC000020784364 1399352987 /nfs/dbraw/zinc/35/29/87/1399352987.db2.gz BVKVWGBPPNKGMS-LJQANCHMSA-N 1 1 395.507 3.306 50 0 GGAAMO CCN1CC[NH+]([C@H]2CCc3c(sc4ncn(C5CCCC5)c(=O)c34)C2)CC1 ZINC000020821231 1399354281 /nfs/dbraw/zinc/35/42/81/1399354281.db2.gz LNDFYXRZWPPVAR-INIZCTEOSA-N 1 1 386.565 3.068 50 0 GGAAMO COC(=O)CCCC(=O)NCC1([N@@H+](C)Cc2ccccc2)Cc2ccccc2C1 ZINC000020910720 1399356726 /nfs/dbraw/zinc/35/67/26/1399356726.db2.gz PIOGVKJRPBBGRW-UHFFFAOYSA-N 1 1 394.515 3.116 50 0 GGAAMO CCOC(=O)N1CCN([C@@H]2CCC[N@@H+](Cc3c(C)n(C)c4ccccc34)C2)CC1 ZINC000020998423 1399360381 /nfs/dbraw/zinc/36/03/81/1399360381.db2.gz KKWPMDGHRSNFMS-LJQANCHMSA-N 1 1 398.551 3.225 50 0 GGAAMO CC(C)Oc1ccc(C[NH+]2CCN(C[C@@H]3COc4ccccc4O3)CC2)cc1 ZINC000022454521 1399464856 /nfs/dbraw/zinc/46/48/56/1399464856.db2.gz WSGXVNCXEBEUMH-OAQYLSRUSA-N 1 1 382.504 3.431 50 0 GGAAMO CCn1cc(C[N@H+]2CCC[C@@H](N3CCc4cc(OC)c(OC)cc4C3)C2)c(C)n1 ZINC000022912060 1399516770 /nfs/dbraw/zinc/51/67/70/1399516770.db2.gz PZIKXJIEEDDTHF-OAQYLSRUSA-N 1 1 398.551 3.251 50 0 GGAAMO CCn1cc(CN2CCC[C@@H]([N@@H+]3CCc4cc(OC)c(OC)cc4C3)C2)c(C)n1 ZINC000022912060 1399516773 /nfs/dbraw/zinc/51/67/73/1399516773.db2.gz PZIKXJIEEDDTHF-OAQYLSRUSA-N 1 1 398.551 3.251 50 0 GGAAMO CCn1cc(CN2CCC[C@@H]([N@H+]3CCc4cc(OC)c(OC)cc4C3)C2)c(C)n1 ZINC000022912060 1399516777 /nfs/dbraw/zinc/51/67/77/1399516777.db2.gz PZIKXJIEEDDTHF-OAQYLSRUSA-N 1 1 398.551 3.251 50 0 GGAAMO CN(C)CC[N@@H+](C)[C@@H]1CCCN(Cc2nc(-c3ccc(F)cc3)cs2)C1 ZINC000022919003 1399517819 /nfs/dbraw/zinc/51/78/19/1399517819.db2.gz FURXCVMTIPSCDD-GOSISDBHSA-N 1 1 376.545 3.407 50 0 GGAAMO CN(CC[NH+](C)C)[C@@H]1CCCN(Cc2nc(-c3ccc(F)cc3)cs2)C1 ZINC000022919003 1399517822 /nfs/dbraw/zinc/51/78/22/1399517822.db2.gz FURXCVMTIPSCDD-GOSISDBHSA-N 1 1 376.545 3.407 50 0 GGAAMO CCC[N@H+](CCc1ccccc1)Cc1cccc(-c2nc(C[NH3+])cc(=O)[n-]2)c1 ZINC000023337287 1399550216 /nfs/dbraw/zinc/55/02/16/1399550216.db2.gz RLXROFVURWUQGH-UHFFFAOYSA-N 1 1 376.504 3.350 50 0 GGAAMO CCC[N@@H+](CCc1ccccc1)Cc1cccc(-c2nc(C[NH3+])cc(=O)[n-]2)c1 ZINC000023337287 1399550220 /nfs/dbraw/zinc/55/02/20/1399550220.db2.gz RLXROFVURWUQGH-UHFFFAOYSA-N 1 1 376.504 3.350 50 0 GGAAMO O=c1cc(-c2ccccc2Cl)nc(-c2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)[nH]1 ZINC000023338962 1399550788 /nfs/dbraw/zinc/55/07/88/1399550788.db2.gz HPAKIRYKCCUNCW-MRXNPFEDSA-N 1 1 381.863 3.324 50 0 GGAAMO CC(C)CC[N@@H+](C)[C@@H]1c2ccccc2C2(CCN(c3ncccn3)CC2)[C@H]1O ZINC000023368791 1399553553 /nfs/dbraw/zinc/55/35/53/1399553553.db2.gz HKJPKVMFSCHMDL-RTWAWAEBSA-N 1 1 380.536 3.408 50 0 GGAAMO Cn1cc(C[N@H+]2CCC[C@@H](CCC(=O)NCc3ccc(F)c(F)c3)C2)cn1 ZINC000023478409 1399563609 /nfs/dbraw/zinc/56/36/09/1399563609.db2.gz LHHXLJGIJYQBHO-HNNXBMFYSA-N 1 1 376.451 3.007 50 0 GGAAMO O=c1cc(-c2ccc(O)cc2)nc(-c2cccc(C[N@H+]3CCCOCC3)c2)[nH]1 ZINC000023582224 1399572275 /nfs/dbraw/zinc/57/22/75/1399572275.db2.gz CNIKZTKRCIVFQU-UHFFFAOYSA-N 1 1 377.444 3.032 50 0 GGAAMO Cc1cc(C)n(Cc2nc(-c3c(C)ncc4c3CC[N@@H+](CC3CC3)C4)no2)n1 ZINC000023581592 1399572420 /nfs/dbraw/zinc/57/24/20/1399572420.db2.gz XBOLLRQXCUJWOD-UHFFFAOYSA-N 1 1 378.480 3.070 50 0 GGAAMO CC1=NN(c2ccccc2)C(=O)[C@]12Cc1ccc(Cl)cc1N1CC[N@H+](C)C[C@H]12 ZINC000025184424 1399764333 /nfs/dbraw/zinc/76/43/33/1399764333.db2.gz HILOINODNGRDPM-RBBKRZOGSA-N 1 1 394.906 3.426 50 0 GGAAMO O=C([C@H]1CCCN(c2ccccn2)C1)N1CCC[N@@H+](Cc2cccs2)CC1 ZINC000047832710 1404967565 /nfs/dbraw/zinc/96/75/65/1404967565.db2.gz QVFSFTSFNWBAHW-SFHVURJKSA-N 1 1 384.549 3.094 50 0 GGAAMO COC[C@H]1CCC[N@@H+](Cc2ccc(-c3nc(-c4cccnc4)cc(=O)[nH]3)cc2)C1 ZINC000048315028 1405140703 /nfs/dbraw/zinc/14/07/03/1405140703.db2.gz KKIZQTHDNGMJKR-SFHVURJKSA-N 1 1 390.487 3.357 50 0 GGAAMO Cc1ccc2[nH]c3c(c2c1)CN(C(=O)C[NH+]1CCN(c2ccccc2)CC1)CC3 ZINC000057058780 1407512311 /nfs/dbraw/zinc/51/23/11/1407512311.db2.gz DJWJZNGQADHPRW-UHFFFAOYSA-N 1 1 388.515 3.183 50 0 GGAAMO Cc1cc(Cl)ccc1-n1nc(CC(C)C)nc1C[C@H]1C[N@@H+](C)CCN1C ZINC000065376482 1408664294 /nfs/dbraw/zinc/66/42/94/1408664294.db2.gz QMGRSUJYOXRFTF-KRWDZBQOSA-N 1 1 375.948 3.216 50 0 GGAAMO C[N@@H+](CCC(=O)N1CCc2ccccc2C1)Cc1cc(-c2ccncc2)no1 ZINC000065461568 1408672889 /nfs/dbraw/zinc/67/28/89/1408672889.db2.gz GHTZWMVKMDJCEG-UHFFFAOYSA-N 1 1 376.460 3.143 50 0 GGAAMO CCCn1ccnc1C[N@@H+]1CCC[C@]2(CCC(=O)N(Cc3cccnc3)C2)C1 ZINC000091326011 1410072472 /nfs/dbraw/zinc/07/24/72/1410072472.db2.gz JNNSHPNPCNSQBS-QFIPXVFZSA-N 1 1 381.524 3.093 50 0 GGAAMO CCCn1ccnc1C[N@H+]1CCC[C@]2(CCC(=O)N(Cc3cccnc3)C2)C1 ZINC000091326011 1410072477 /nfs/dbraw/zinc/07/24/77/1410072477.db2.gz JNNSHPNPCNSQBS-QFIPXVFZSA-N 1 1 381.524 3.093 50 0 GGAAMO O=C(C[C@@H](Cn1cccc1)c1ccc(Cl)cc1)NCCC[NH+]1CCOCC1 ZINC000095480024 1410314658 /nfs/dbraw/zinc/31/46/58/1410314658.db2.gz KUODGZWKDUWGKW-IBGZPJMESA-N 1 1 389.927 3.154 50 0 GGAAMO O=C(CC[NH+]1CCOCC1)N1N=C(c2ccco2)C[C@@H]1c1cccc(Cl)c1 ZINC000096118933 1410324312 /nfs/dbraw/zinc/32/43/12/1410324312.db2.gz BDYLUJFVUJMVNF-GOSISDBHSA-N 1 1 387.867 3.333 50 0 GGAAMO CCc1nc(C[NH+]2CCC(CNC(=O)c3ccc4nccnc4c3)CC2)cs1 ZINC000111043668 1411883799 /nfs/dbraw/zinc/88/37/99/1411883799.db2.gz ZXCRUZHWDAHMKQ-UHFFFAOYSA-N 1 1 395.532 3.291 50 0 GGAAMO O=C([C@H]1CC[C@H](O)CC1)N1CCC([C@@H]2CC[N@@H+](CCc3ccccc3)C2)CC1 ZINC000244742043 1433453536 /nfs/dbraw/zinc/45/35/36/1433453536.db2.gz OBAUUKNVHVFOCX-DNVJHFABSA-N 1 1 384.564 3.341 50 0 GGAAMO C[C@H]1C[N@@H+](CCC(=O)N(C)C[C@H]2CCCCO2)Cc2cc(Cl)ccc2O1 ZINC000248070921 1433767701 /nfs/dbraw/zinc/76/77/01/1433767701.db2.gz AWOKLVSTISWTQT-MAUKXSAKSA-N 1 1 380.916 3.341 50 0 GGAAMO CN(C[C@@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)c1[nH]nc2c1COc1ccccc1-2 ZINC000253413666 1433867168 /nfs/dbraw/zinc/86/71/68/1433867168.db2.gz VJPYQZQXTDYNTI-MAUKXSAKSA-N 1 1 380.492 3.306 50 0 biogenic GGAAMO CN(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)c1n[nH]c2c1COc1ccccc1-2 ZINC000253413666 1433867170 /nfs/dbraw/zinc/86/71/70/1433867170.db2.gz VJPYQZQXTDYNTI-MAUKXSAKSA-N 1 1 380.492 3.306 50 0 biogenic GGAAMO CN(C[C@@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)c1n[nH]c2c1COc1ccccc1-2 ZINC000253413666 1433867171 /nfs/dbraw/zinc/86/71/71/1433867171.db2.gz VJPYQZQXTDYNTI-MAUKXSAKSA-N 1 1 380.492 3.306 50 0 biogenic GGAAMO Cc1c2ccc(O)cc2oc(=O)c1CC(=O)N(C)C[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000253408466 1433867240 /nfs/dbraw/zinc/86/72/40/1433867240.db2.gz KTLRVTCUNAPFBT-OXJNMPFZSA-N 1 1 398.503 3.072 50 0 biogenic GGAAMO CN(C[C@@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)CCCc1nc2ccccc2c(=O)[nH]1 ZINC000253623946 1433870784 /nfs/dbraw/zinc/87/07/84/1433870784.db2.gz VHXBWJXMFRHILJ-FXAWDEMLSA-N 1 1 396.535 3.381 50 0 biogenic GGAAMO C[C@@H]1CCC(=O)N1c1ccc(N2CCC([N@H+]3CCC[C@](C)(CO)C3)CC2)cc1 ZINC000257372022 1433895186 /nfs/dbraw/zinc/89/51/86/1433895186.db2.gz MUHYQGKMRZXKFO-JPYJTQIMSA-N 1 1 385.552 3.265 50 0 GGAAMO Cc1ccccc1[C@@H]1CC[N@H+](CCNC(=O)N(C)Cc2[nH]nc3c2CCCC3)C1 ZINC000426397418 231213844 /nfs/dbraw/zinc/21/38/44/231213844.db2.gz NTASYROXDQUXFW-GOSISDBHSA-N 1 1 395.551 3.228 50 0 GGAAMO Cc1ccccc1[C@@H]1CC[N@@H+](CCNC(=O)N(C)Cc2n[nH]c3c2CCCC3)C1 ZINC000426397418 231213846 /nfs/dbraw/zinc/21/38/46/231213846.db2.gz NTASYROXDQUXFW-GOSISDBHSA-N 1 1 395.551 3.228 50 0 GGAAMO Cc1ccccc1[C@@H]1CC[N@H+](CCNC(=O)N(C)Cc2n[nH]c3c2CCCC3)C1 ZINC000426397418 231213848 /nfs/dbraw/zinc/21/38/48/231213848.db2.gz NTASYROXDQUXFW-GOSISDBHSA-N 1 1 395.551 3.228 50 0 GGAAMO Cc1ccccc1[C@H]1CC[N@H+](CCNC(=O)N(C)Cc2[nH]nc3c2CCCC3)C1 ZINC000426397419 231213903 /nfs/dbraw/zinc/21/39/03/231213903.db2.gz NTASYROXDQUXFW-SFHVURJKSA-N 1 1 395.551 3.228 50 0 GGAAMO Cc1ccccc1[C@H]1CC[N@@H+](CCNC(=O)N(C)Cc2n[nH]c3c2CCCC3)C1 ZINC000426397419 231213905 /nfs/dbraw/zinc/21/39/05/231213905.db2.gz NTASYROXDQUXFW-SFHVURJKSA-N 1 1 395.551 3.228 50 0 GGAAMO Cc1ccccc1[C@H]1CC[N@H+](CCNC(=O)N(C)Cc2n[nH]c3c2CCCC3)C1 ZINC000426397419 231213909 /nfs/dbraw/zinc/21/39/09/231213909.db2.gz NTASYROXDQUXFW-SFHVURJKSA-N 1 1 395.551 3.228 50 0 GGAAMO CCOc1ccccc1C[N@H+]1CCC[C@@H](c2nnc(CN3CCCC3)n2C)C1 ZINC000426431741 231221236 /nfs/dbraw/zinc/22/12/36/231221236.db2.gz FRCBBYUNXHLZDU-LJQANCHMSA-N 1 1 383.540 3.189 50 0 GGAAMO COCCN(C[C@H]1CCC[N@H+]2CCCC[C@@H]12)C(=O)c1cc(CCC(C)C)n[nH]1 ZINC000409414905 231203865 /nfs/dbraw/zinc/20/38/65/231203865.db2.gz YMOPELVKFMIKIS-NQIIRXRSSA-N 1 1 390.572 3.351 50 0 GGAAMO COCCN(C[C@H]1CCC[N@@H+]2CCCC[C@@H]12)C(=O)c1cc(CCC(C)C)[nH]n1 ZINC000409414905 231203868 /nfs/dbraw/zinc/20/38/68/231203868.db2.gz YMOPELVKFMIKIS-NQIIRXRSSA-N 1 1 390.572 3.351 50 0 GGAAMO COCCN(C[C@H]1CCC[N@H+]2CCCC[C@@H]12)C(=O)c1cc(CCC(C)C)[nH]n1 ZINC000409414905 231203869 /nfs/dbraw/zinc/20/38/69/231203869.db2.gz YMOPELVKFMIKIS-NQIIRXRSSA-N 1 1 390.572 3.351 50 0 GGAAMO COCCCN(C[C@H]1CCC[N@H+]2CCCC[C@@H]12)C(=O)c1cc(CC(C)C)n[nH]1 ZINC000409414551 231204291 /nfs/dbraw/zinc/20/42/91/231204291.db2.gz MJDYLKVEQWCGOC-NQIIRXRSSA-N 1 1 390.572 3.351 50 0 GGAAMO COCCCN(C[C@H]1CCC[N@@H+]2CCCC[C@@H]12)C(=O)c1cc(CC(C)C)[nH]n1 ZINC000409414551 231204294 /nfs/dbraw/zinc/20/42/94/231204294.db2.gz MJDYLKVEQWCGOC-NQIIRXRSSA-N 1 1 390.572 3.351 50 0 GGAAMO COCCCN(C[C@H]1CCC[N@H+]2CCCC[C@@H]12)C(=O)c1cc(CC(C)C)[nH]n1 ZINC000409414551 231204297 /nfs/dbraw/zinc/20/42/97/231204297.db2.gz MJDYLKVEQWCGOC-NQIIRXRSSA-N 1 1 390.572 3.351 50 0 GGAAMO C[C@@H](c1ccc(-c2nc(N(C)C)n(Cc3ccccc3)n2)cc1)[NH+]1CCOCC1 ZINC000426530395 231235905 /nfs/dbraw/zinc/23/59/05/231235905.db2.gz JQDDJJJJMZYPRC-SFHVURJKSA-N 1 1 391.519 3.453 50 0 GGAAMO Cn1c(CN2CCCC2)nnc1[C@H]1CCC[N@@H+](C/C=C/c2ccc(F)cc2)C1 ZINC000426551957 231240947 /nfs/dbraw/zinc/24/09/47/231240947.db2.gz IYNUTPAIPYOTDB-OQBYNLHGSA-N 1 1 383.515 3.443 50 0 GGAAMO Cc1[nH+]ccn1C[C@@H]1CCCN(C(=O)NCc2cc(-c3ccccc3)no2)C1 ZINC000426662059 231250798 /nfs/dbraw/zinc/25/07/98/231250798.db2.gz FZYBXUPKCRPDCL-KRWDZBQOSA-N 1 1 379.464 3.468 50 0 GGAAMO CCc1cc(C[N@H+]2CC[C@]3(C2)CCCN(Cc2ccc(F)c(F)c2)C3=O)[nH]n1 ZINC000426730532 529528156 /nfs/dbraw/zinc/52/81/56/529528156.db2.gz VICFCWWXTJZJEU-NRFANRHFSA-N 1 1 388.462 3.265 50 0 GGAAMO CCc1cc(C[N@@H+]2CC[C@]3(C2)CCCN(Cc2ccc(F)c(F)c2)C3=O)n[nH]1 ZINC000426730532 529528157 /nfs/dbraw/zinc/52/81/57/529528157.db2.gz VICFCWWXTJZJEU-NRFANRHFSA-N 1 1 388.462 3.265 50 0 GGAAMO CCc1cc(C[N@H+]2CC[C@]3(C2)CCCN(Cc2ccc(F)c(F)c2)C3=O)n[nH]1 ZINC000426730532 529528159 /nfs/dbraw/zinc/52/81/59/529528159.db2.gz VICFCWWXTJZJEU-NRFANRHFSA-N 1 1 388.462 3.265 50 0 GGAAMO CC[C@@H](NC(=O)N1CCN(c2cc[nH+]cc2)CC1)c1nc2ccc(C)cc2[nH]1 ZINC000426536531 529611212 /nfs/dbraw/zinc/61/12/12/529611212.db2.gz RICWABNCMYSFFT-QGZVFWFLSA-N 1 1 378.480 3.249 50 0 GGAAMO C[N@H+]1CC[C@](C)(CNC(=O)c2ccc(-c3ccc4c(c3)OCCC4=O)cc2)C1 ZINC000426419990 529809012 /nfs/dbraw/zinc/80/90/12/529809012.db2.gz DZMKIDWZBKYNMM-HSZRJFAPSA-N 1 1 378.472 3.390 50 0 GGAAMO COc1ccc(-n2ncc(C(=O)NC[C@H]3CCC[N@H+]4CCCC[C@H]34)c2C)cc1 ZINC000225408374 206258422 /nfs/dbraw/zinc/25/84/22/206258422.db2.gz VFDCJOLMWUQVJV-DYESRHJHSA-N 1 1 382.508 3.184 50 0 biogenic GGAAMO COc1c2c(cc3c1[C@H](Cc1cc(=[NH2+])c4ccccc4n1C)N(C)CC3)OCO2 ZINC000334157014 206252078 /nfs/dbraw/zinc/25/20/78/206252078.db2.gz XEPPVVCGCAFDLT-IBGZPJMESA-N 1 1 391.471 3.167 50 0 biogenic GGAAMO COc1c2c(cc3c1[C@@H](Cc1cc(=[NH2+])c4ccccc4n1C)N(C)CC3)OCO2 ZINC000334157015 206252746 /nfs/dbraw/zinc/25/27/46/206252746.db2.gz XEPPVVCGCAFDLT-LJQANCHMSA-N 1 1 391.471 3.167 50 0 biogenic GGAAMO Cc1ccc(C[N@H+]2CCN(Cc3ccc(-n4cccn4)cc3)C[C@H]2CCO)cc1 ZINC000036385753 206264217 /nfs/dbraw/zinc/26/42/17/206264217.db2.gz ZYEJHEIQNIPHJT-XMMPIXPASA-N 1 1 390.531 3.250 50 0 GGAAMO Cc1ccc(CN2CC[N@H+](Cc3ccc(-n4cccn4)cc3)C[C@H]2CCO)cc1 ZINC000036385753 206264221 /nfs/dbraw/zinc/26/42/21/206264221.db2.gz ZYEJHEIQNIPHJT-XMMPIXPASA-N 1 1 390.531 3.250 50 0 GGAAMO Cc1ccc(CN2CC[N@@H+](Cc3ccc(-n4cccn4)cc3)C[C@H]2CCO)cc1 ZINC000036385753 206264225 /nfs/dbraw/zinc/26/42/25/206264225.db2.gz ZYEJHEIQNIPHJT-XMMPIXPASA-N 1 1 390.531 3.250 50 0 GGAAMO CC[C@H]1[C@H]2OC(=O)[C@@H](C)[C@H]2[C@H]2C[C@@H]([C@@H]3C[C@H](C)C(=O)O3)[N@H+]3CCCC[C@@H]1[C@@H]23 ZINC000245204768 206281314 /nfs/dbraw/zinc/28/13/14/206281314.db2.gz GYOGHROCTSEKDY-ZZSJWKEFSA-N 1 1 375.509 3.015 50 0 biogenic GGAAMO CCN(CC)C(=O)[C@H]1CCC[N@@H+](Cc2cc(Br)c(O)c(OC)c2)C1 ZINC000000755559 206320111 /nfs/dbraw/zinc/32/01/11/206320111.db2.gz JQZBGYVMVQSLAJ-AWEZNQCLSA-N 1 1 399.329 3.244 50 0 GGAAMO COC(=O)c1c2cc(OC)c(Br)cc2n(C)c1C[NH+]1CCCC1 ZINC000000862818 206328941 /nfs/dbraw/zinc/32/89/41/206328941.db2.gz YYNLJZXQABIOEJ-UHFFFAOYSA-N 1 1 381.270 3.332 50 0 GGAAMO COc1cc(C(=O)N2CC[NH+](CCCc3ccccc3)CC2)cc(OC)c1OC ZINC000000860215 206329003 /nfs/dbraw/zinc/32/90/03/206329003.db2.gz SAPXRSJXKVGULN-UHFFFAOYSA-N 1 1 398.503 3.103 50 0 GGAAMO CCOC(=O)[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccc(Br)cc2)C1 ZINC000000895006 206332011 /nfs/dbraw/zinc/33/20/11/206332011.db2.gz NKOBSUNOWDPVLX-CYBMUJFWSA-N 1 1 383.286 3.053 50 0 GGAAMO O=C1C[C@@H]([NH+]2CCC(c3nc4ccccc4o3)CC2)C(=O)N1Cc1cccs1 ZINC000001067923 206348356 /nfs/dbraw/zinc/34/83/56/206348356.db2.gz HNDWFGSXQQWWHK-QGZVFWFLSA-N 1 1 395.484 3.396 50 0 GGAAMO COc1cc(C[N@H+]2CCC[C@H](C(=O)N3CCCCCC3)C2)cc(OC)c1OC ZINC000001269663 206370202 /nfs/dbraw/zinc/37/02/02/206370202.db2.gz CJCWTDJNBCJPSO-SFHVURJKSA-N 1 1 390.524 3.327 50 0 GGAAMO C[NH+]1CCN(NC(=O)c2ccc(COc3ccc4ccccc4c3)cc2)CC1 ZINC000006178743 206642343 /nfs/dbraw/zinc/64/23/43/206642343.db2.gz AONCVIMWCXWJDV-UHFFFAOYSA-N 1 1 375.472 3.311 50 0 GGAAMO CC1CC[NH+](CC(=O)Nc2ccccc2-c2nc3ccccc3[nH]c2=O)CC1 ZINC000009910781 206804829 /nfs/dbraw/zinc/80/48/29/206804829.db2.gz VPZWWPAQWHQOPU-UHFFFAOYSA-N 1 1 376.460 3.261 50 0 GGAAMO O=C(NCc1cccnc1)C1CCN(C2CC[NH+](CC3CCCCC3)CC2)CC1 ZINC000012206541 206869332 /nfs/dbraw/zinc/86/93/32/206869332.db2.gz XSOZHRYPSFWOGF-UHFFFAOYSA-N 1 1 398.595 3.455 50 0 GGAAMO Cc1cccnc1CN(C)c1ccc(C(=O)NCC[C@H]2CCCC[N@H+]2C)cn1 ZINC000012305860 206882307 /nfs/dbraw/zinc/88/23/07/206882307.db2.gz WCPCWWQSBJVDLQ-LJQANCHMSA-N 1 1 381.524 3.026 50 0 GGAAMO CCn1nc(C(=O)N2CCCC2)c2c1CC[N@H+](Cc1cn(C)c3ccccc13)C2 ZINC000014541821 207023137 /nfs/dbraw/zinc/02/31/37/207023137.db2.gz QVCDJMVBRPUOHC-UHFFFAOYSA-N 1 1 391.519 3.189 50 0 GGAAMO CCn1nc(C(=O)N2CCCC2)c2c1CC[N@@H+](Cc1cn(C)c3ccccc13)C2 ZINC000014541821 207023141 /nfs/dbraw/zinc/02/31/41/207023141.db2.gz QVCDJMVBRPUOHC-UHFFFAOYSA-N 1 1 391.519 3.189 50 0 GGAAMO CN(C)C(=O)c1nn(CC2CCCCC2)c2c1C[C@@H]([N@H+](C)Cc1ccon1)CC2 ZINC000014534135 207024309 /nfs/dbraw/zinc/02/43/09/207024309.db2.gz RGEYPPGXLDHVLA-SFHVURJKSA-N 1 1 399.539 3.143 50 0 GGAAMO CN(C)C(=O)c1nn(CC2CCCCC2)c2c1C[C@@H]([N@@H+](C)Cc1ccon1)CC2 ZINC000014534135 207024313 /nfs/dbraw/zinc/02/43/13/207024313.db2.gz RGEYPPGXLDHVLA-SFHVURJKSA-N 1 1 399.539 3.143 50 0 GGAAMO Cc1ccc(OC[C@H]2C[C@@H](C(=O)NCC(C)C)C[N@H+](Cc3ccncc3)C2)cn1 ZINC000014733354 207027329 /nfs/dbraw/zinc/02/73/29/207027329.db2.gz XWIADWARPFGNJH-LEWJYISDSA-N 1 1 396.535 3.074 50 0 GGAAMO CN(C)C(=O)c1nn(Cc2ccccc2)c2c1C[C@@H]([N@@H+](C)Cc1ccco1)CC2 ZINC000014746170 207027760 /nfs/dbraw/zinc/02/77/60/207027760.db2.gz TZZJZQSGRVBNOK-SFHVURJKSA-N 1 1 392.503 3.216 50 0 GGAAMO CCC[N@@H+](CC1CC1)[C@H]1CCc2c(c(C(=O)NCc3cccs3)nn2C)C1 ZINC000014745949 207027917 /nfs/dbraw/zinc/02/79/17/207027917.db2.gz FARWLUOPTGZMGV-INIZCTEOSA-N 1 1 386.565 3.391 50 0 GGAAMO CC(C)CNC(=O)[C@H]1C[C@@H](C(=O)Nc2ccc3c(c2)CCC3)C[N@@H+](CC(C)C)C1 ZINC000014748827 207029114 /nfs/dbraw/zinc/02/91/14/207029114.db2.gz XBHMERLASOXLJU-LEWJYISDSA-N 1 1 399.579 3.480 50 0 GGAAMO COc1ccc(CN2CCc3ccccc3C2)cc1OC[C@@H](O)C[N@H+](C)C(C)C ZINC000014948024 207033154 /nfs/dbraw/zinc/03/31/54/207033154.db2.gz YVPWTPUYGUCKGW-QFIPXVFZSA-N 1 1 398.547 3.333 50 0 GGAAMO COc1ccc(CN2CCc3ccccc3C2)cc1OC[C@@H](O)C[N@@H+](C)C(C)C ZINC000014948024 207033158 /nfs/dbraw/zinc/03/31/58/207033158.db2.gz YVPWTPUYGUCKGW-QFIPXVFZSA-N 1 1 398.547 3.333 50 0 GGAAMO CCc1ccc(C[N@@H+]2CCc3nnc([C@H](CC(C)C)NC(C)=O)n3CC2)cc1 ZINC000014968226 207035075 /nfs/dbraw/zinc/03/50/75/207035075.db2.gz DRUUVFPEBXTOLJ-FQEVSTJZSA-N 1 1 383.540 3.122 50 0 GGAAMO O=C(CCN1Cc2ccccc2C1=O)N[C@H]1CCC[N@H+](C2CCCCCC2)C1 ZINC000014962516 207035502 /nfs/dbraw/zinc/03/55/02/207035502.db2.gz JLHXUCJPJZQIMS-IBGZPJMESA-N 1 1 383.536 3.336 50 0 GGAAMO COc1cccc(-c2cc(CC3(O)CC[NH+](Cc4cnc(C)nc4)CC3)on2)c1 ZINC000014971455 207036399 /nfs/dbraw/zinc/03/63/99/207036399.db2.gz LKOLBKXFBRTAAA-UHFFFAOYSA-N 1 1 394.475 3.018 50 0 GGAAMO COC(=O)c1ccc(NC(=O)N2CCC[C@H]([N@@H+](C)CCc3ccccn3)C2)cc1 ZINC000014981565 207038209 /nfs/dbraw/zinc/03/82/09/207038209.db2.gz IANPAZSPGGTNRB-FQEVSTJZSA-N 1 1 396.491 3.039 50 0 GGAAMO CCN(CC)C(=O)c1cn([C@H]2CCC[N@@H+](Cc3ccc4ncccc4c3)C2)nn1 ZINC000014989458 207038436 /nfs/dbraw/zinc/03/84/36/207038436.db2.gz YADCSNCWONHLPW-IBGZPJMESA-N 1 1 392.507 3.145 50 0 GGAAMO CCc1ccc(C[N@H+]2CCC[C@@H](n3cc(C(=O)NC4CCCC4)nn3)C2)cc1 ZINC000014991573 207038660 /nfs/dbraw/zinc/03/86/60/207038660.db2.gz FUMSJTSCTPUHLD-HXUWFJFHSA-N 1 1 381.524 3.350 50 0 GGAAMO CCc1cc(C(=O)N2CC[C@@]3(C2)CCC[N@@H+](Cc2cccc(OC)c2)C3)on1 ZINC000014980517 207038819 /nfs/dbraw/zinc/03/88/19/207038819.db2.gz XFTFMFAEXRMYJT-QFIPXVFZSA-N 1 1 383.492 3.374 50 0 GGAAMO CCc1ccc(C[N@H+]2CCC[C@H](n3cc(C(=O)NC4CCCC4)nn3)C2)cc1 ZINC000014991575 207039339 /nfs/dbraw/zinc/03/93/39/207039339.db2.gz FUMSJTSCTPUHLD-FQEVSTJZSA-N 1 1 381.524 3.350 50 0 GGAAMO CCN(CC)C(=O)c1cn([C@H]2CCC[N@@H+](Cc3ccccc3Cl)C2)nn1 ZINC000014991833 207039403 /nfs/dbraw/zinc/03/94/03/207039403.db2.gz VAYYPHVITKDCQQ-INIZCTEOSA-N 1 1 375.904 3.251 50 0 GGAAMO CC(C)C[N@H+]1C[C@H](C(=O)Nc2ccc(F)cc2)C[C@H](C(=O)N2CCCCC2)C1 ZINC000014752511 207029488 /nfs/dbraw/zinc/02/94/88/207029488.db2.gz JIIGFMBSGRKDRK-MSOLQXFVSA-N 1 1 389.515 3.371 50 0 GGAAMO COc1ccc(CC[N@@H+](C)[C@H]2CCCN(C(=O)c3ccoc3C)C2)cc1OC ZINC000015069049 207044995 /nfs/dbraw/zinc/04/49/95/207044995.db2.gz XHRQYASZKZLZSI-SFHVURJKSA-N 1 1 386.492 3.384 50 0 GGAAMO CCn1cc(C[N@H+]2CC[C@]3(C2)CCCN(Cc2cccc(OC)c2)C3=O)c(C)n1 ZINC000015075548 207045679 /nfs/dbraw/zinc/04/56/79/207045679.db2.gz XMLWGJBGWOVTMC-QHCPKHFHSA-N 1 1 396.535 3.235 50 0 GGAAMO O=C(N[C@H]1CCC[N@@H+](CCc2ccccc2)C1)c1ccc(N2CCCC2=O)cc1 ZINC000015079410 207045822 /nfs/dbraw/zinc/04/58/22/207045822.db2.gz JJAZEEOKHQVQRH-NRFANRHFSA-N 1 1 391.515 3.250 50 0 GGAAMO CCCCOC(=O)c1ccc(N2C(=O)C[C@@H]([N@@H+]3C[C@@H]4CC=CC[C@@H]4C3)C2=O)cc1 ZINC000015080388 207046294 /nfs/dbraw/zinc/04/62/94/207046294.db2.gz NOYMGFWJBOBOLC-WSTZPKSXSA-N 1 1 396.487 3.173 50 0 GGAAMO CCn1cc(CN(CCOC)C[C@H]2CCC[N@H+](C3Cc4ccccc4C3)C2)cn1 ZINC000015074557 207046962 /nfs/dbraw/zinc/04/69/62/207046962.db2.gz BWTVJSRSLXVGIB-HXUWFJFHSA-N 1 1 396.579 3.231 50 0 GGAAMO CCN(C[C@@H]1CCC[N@@H+](CCc2cccc(OC)c2)C1)C(=O)Cc1ccccn1 ZINC000015064034 207042424 /nfs/dbraw/zinc/04/24/24/207042424.db2.gz YJJQXYCDSBYGIP-OAQYLSRUSA-N 1 1 395.547 3.436 50 0 GGAAMO CC(C)(C)C[N@@H+]1CCNC(=O)[C@H]1CC(=O)NC(c1ccccc1)c1ccccc1 ZINC000015065212 207043062 /nfs/dbraw/zinc/04/30/62/207043062.db2.gz YOLKHBOMSLNXJF-HXUWFJFHSA-N 1 1 393.531 3.129 50 0 GGAAMO CC(C)(C)C[N@H+]1CCNC(=O)[C@H]1CC(=O)NC(c1ccccc1)c1ccccc1 ZINC000015065212 207043065 /nfs/dbraw/zinc/04/30/65/207043065.db2.gz YOLKHBOMSLNXJF-HXUWFJFHSA-N 1 1 393.531 3.129 50 0 GGAAMO COC(=O)c1ccc(-c2nc(C[N@H+]3CCCC[C@H]3CCNC(C)=O)c(C)o2)cc1 ZINC000015070873 207043948 /nfs/dbraw/zinc/04/39/48/207043948.db2.gz KYUZGBLMUOSRGN-IBGZPJMESA-N 1 1 399.491 3.317 50 0 GGAAMO CCc1nnc(SCC(=O)N[C@@H]2CCC[N@H+](Cc3ccc(Cl)cc3)C2)o1 ZINC000015071368 207044000 /nfs/dbraw/zinc/04/40/00/207044000.db2.gz APHOKHLHLFMEDN-OAHLLOKOSA-N 1 1 394.928 3.158 50 0 GGAAMO CCc1nnc(SCC(=O)N[C@@H]2CCC[N@@H+](Cc3ccc(Cl)cc3)C2)o1 ZINC000015071368 207044002 /nfs/dbraw/zinc/04/40/02/207044002.db2.gz APHOKHLHLFMEDN-OAHLLOKOSA-N 1 1 394.928 3.158 50 0 GGAAMO COc1cc(C)c(C[N@@H+]2CCC(=O)N(CCOc3ccccc3)CC2)cc1C ZINC000015072945 207044525 /nfs/dbraw/zinc/04/45/25/207044525.db2.gz YRNVATNSKSMKNN-UHFFFAOYSA-N 1 1 382.504 3.425 50 0 GGAAMO Cc1cc(OCC(=O)N2CCCC[C@H]2CC[NH+]2CCOCC2)ccc1Cl ZINC000015831581 207063170 /nfs/dbraw/zinc/06/31/70/207063170.db2.gz PYIOKLHWBAHDEQ-KRWDZBQOSA-N 1 1 380.916 3.131 50 0 GGAAMO 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CCOC(=O)C1=C(C[N@H+](C)Cc2ccccc2)NC(=O)N[C@@H]1c1ccc(F)cc1 ZINC000020557816 207203576 /nfs/dbraw/zinc/20/35/76/207203576.db2.gz BAZBKSSBOTXYQO-HXUWFJFHSA-N 1 1 397.450 3.129 50 0 GGAAMO CCOC(=O)C1=C(C[N@@H+](C)Cc2ccccc2)NC(=O)N[C@@H]1c1ccc(F)cc1 ZINC000020557816 207203579 /nfs/dbraw/zinc/20/35/79/207203579.db2.gz BAZBKSSBOTXYQO-HXUWFJFHSA-N 1 1 397.450 3.129 50 0 GGAAMO Cc1ccc(C[N@@H+]2CCc3nnc([C@@H](C)NC(=O)c4ccco4)n3CC2)c(C)c1 ZINC000020781017 207214782 /nfs/dbraw/zinc/21/47/82/207214782.db2.gz OPCGENLGWAHKSZ-QGZVFWFLSA-N 1 1 393.491 3.037 50 0 GGAAMO CC(C)(C)C[N@H+]1CCN(Cc2cnn(-c3cccc(Cl)c3)c2)C[C@@H]1CCO ZINC000020780115 207215173 /nfs/dbraw/zinc/21/51/73/207215173.db2.gz BOBNEEVXRCQNAM-FQEVSTJZSA-N 1 1 390.959 3.440 50 0 GGAAMO C[C@@H](O)c1cn(C2CC[NH+](Cc3nc(-c4ccc(F)cc4)cs3)CC2)nn1 ZINC000020916906 207219361 /nfs/dbraw/zinc/21/93/61/207219361.db2.gz GROXVQPWHPJUML-CYBMUJFWSA-N 1 1 387.484 3.431 50 0 GGAAMO C[C@H](O)c1cn(C2CC[NH+](Cc3nc(-c4ccc(F)cc4)cs3)CC2)nn1 ZINC000020916911 207219708 /nfs/dbraw/zinc/21/97/08/207219708.db2.gz GROXVQPWHPJUML-ZDUSSCGKSA-N 1 1 387.484 3.431 50 0 GGAAMO Cc1cccc(C[N@@H+]2CCN(Cc3ccc(F)cc3Cl)C[C@@H]2CCO)n1 ZINC000020918263 207219716 /nfs/dbraw/zinc/21/97/16/207219716.db2.gz BELNNVFNIKDJFQ-IBGZPJMESA-N 1 1 377.891 3.251 50 0 GGAAMO Cc1cccc(C[N@H+]2CCN(Cc3ccc(F)cc3Cl)C[C@@H]2CCO)n1 ZINC000020918263 207219719 /nfs/dbraw/zinc/21/97/19/207219719.db2.gz BELNNVFNIKDJFQ-IBGZPJMESA-N 1 1 377.891 3.251 50 0 GGAAMO COc1cc(CN2CC[N@H+](Cc3cccs3)[C@@H](CCO)C2)c(Cl)cc1O ZINC000020911165 207220024 /nfs/dbraw/zinc/22/00/24/207220024.db2.gz STLXNPBULMKZDI-HNNXBMFYSA-N 1 1 396.940 3.185 50 0 GGAAMO COc1cc(CN2CC[N@@H+](Cc3cccs3)[C@@H](CCO)C2)c(Cl)cc1O ZINC000020911165 207220029 /nfs/dbraw/zinc/22/00/29/207220029.db2.gz STLXNPBULMKZDI-HNNXBMFYSA-N 1 1 396.940 3.185 50 0 GGAAMO CC(=O)Nc1ccc(C[N@H+]2CCC[C@@H](N3CCN(c4ccccc4)CC3)C2)cc1 ZINC000020910178 207220038 /nfs/dbraw/zinc/22/00/38/207220038.db2.gz TYVPJOSFWBKBBE-XMMPIXPASA-N 1 1 392.547 3.432 50 0 GGAAMO CC(=O)Nc1ccc(CN2CCC[C@@H]([NH+]3CCN(c4ccccc4)CC3)C2)cc1 ZINC000020910178 207220043 /nfs/dbraw/zinc/22/00/43/207220043.db2.gz TYVPJOSFWBKBBE-XMMPIXPASA-N 1 1 392.547 3.432 50 0 GGAAMO Brc1ccc(-c2ccc(NCCC[NH+]3CCOCC3)nn2)cc1 ZINC000020719860 207210993 /nfs/dbraw/zinc/21/09/93/207210993.db2.gz VECXTTKRHBIBDH-UHFFFAOYSA-N 1 1 377.286 3.040 50 0 GGAAMO OCC[C@H]1CN(Cc2cccn2-c2cccnc2)CC[N@@H+]1Cc1ccsc1 ZINC000020776198 207213365 /nfs/dbraw/zinc/21/33/65/207213365.db2.gz SOLRFGLJSACXNM-FQEVSTJZSA-N 1 1 382.533 3.003 50 0 GGAAMO OCC[C@H]1CN(Cc2cccn2-c2cccnc2)CC[N@H+]1Cc1ccsc1 ZINC000020776198 207213368 /nfs/dbraw/zinc/21/33/68/207213368.db2.gz SOLRFGLJSACXNM-FQEVSTJZSA-N 1 1 382.533 3.003 50 0 GGAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)c1cc(COc2cccc3cnccc32)on1 ZINC000020992907 207222858 /nfs/dbraw/zinc/22/28/58/207222858.db2.gz CIROZQBCSQEPNE-MRXNPFEDSA-N 1 1 380.448 3.016 50 0 GGAAMO OCC[C@H]1CN(Cc2cc3c(cc2Cl)OCO3)CC[N@H+]1Cc1ccccc1 ZINC000020999528 207223060 /nfs/dbraw/zinc/22/30/60/207223060.db2.gz CMWJSWMAXSPJIJ-SFHVURJKSA-N 1 1 388.895 3.138 50 0 GGAAMO COc1ccc(OC)c(C[N@@H+]2CCc3nnc(CCc4ccccc4)n3CC2)c1 ZINC000020999363 207223120 /nfs/dbraw/zinc/22/31/20/207223120.db2.gz NJKWPSMSYLIFMO-UHFFFAOYSA-N 1 1 392.503 3.139 50 0 GGAAMO OCC[C@H]1CN(Cc2c[nH]nc2-c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000020998504 207223401 /nfs/dbraw/zinc/22/34/01/207223401.db2.gz WHBDTPCGHRUURA-QFIPXVFZSA-N 1 1 376.504 3.146 50 0 GGAAMO OCC[C@H]1C[N@H+](Cc2c[nH]nc2-c2ccccc2)CCN1Cc1ccccc1 ZINC000020998504 207223409 /nfs/dbraw/zinc/22/34/09/207223409.db2.gz WHBDTPCGHRUURA-QFIPXVFZSA-N 1 1 376.504 3.146 50 0 GGAAMO OCC[C@H]1C[N@@H+](Cc2c[nH]nc2-c2ccccc2)CCN1Cc1ccccc1 ZINC000020998504 207223413 /nfs/dbraw/zinc/22/34/13/207223413.db2.gz WHBDTPCGHRUURA-QFIPXVFZSA-N 1 1 376.504 3.146 50 0 GGAAMO Cc1ccc(-n2cccn2)c(CN2CC[N@@H+](Cc3cccs3)[C@@H](CCO)C2)c1 ZINC000020996310 207223462 /nfs/dbraw/zinc/22/34/62/207223462.db2.gz XGINSEBYILGQLS-FQEVSTJZSA-N 1 1 396.560 3.311 50 0 GGAAMO Cc1ccc(-n2cccn2)c(C[N@@H+]2CCN(Cc3cccs3)[C@@H](CCO)C2)c1 ZINC000020996310 207223463 /nfs/dbraw/zinc/22/34/63/207223463.db2.gz XGINSEBYILGQLS-FQEVSTJZSA-N 1 1 396.560 3.311 50 0 GGAAMO Cc1ccc(-n2cccn2)c(C[N@H+]2CCN(Cc3cccs3)[C@@H](CCO)C2)c1 ZINC000020996310 207223468 /nfs/dbraw/zinc/22/34/68/207223468.db2.gz XGINSEBYILGQLS-FQEVSTJZSA-N 1 1 396.560 3.311 50 0 GGAAMO FC(F)(F)c1cccc(N2CC[NH+]([C@@H]3CCCN(Cc4cnc[nH]4)C3)CC2)c1 ZINC000020993868 207223509 /nfs/dbraw/zinc/22/35/09/207223509.db2.gz YFXIEAQWLLZFBD-LJQANCHMSA-N 1 1 393.457 3.215 50 0 GGAAMO OCC[C@@H]1C[N@@H+](Cc2cccc3cnccc32)CCN1Cc1ccc(F)cc1 ZINC000020997643 207223644 /nfs/dbraw/zinc/22/36/44/207223644.db2.gz ASXSVPUGQUBXOZ-JOCHJYFZSA-N 1 1 379.479 3.443 50 0 GGAAMO CCn1c2ccccc2nc1CN1CC[N@H+](Cc2cccs2)[C@@H](CCO)C1 ZINC000020999840 207224431 /nfs/dbraw/zinc/22/44/31/207224431.db2.gz FVOGRQGMRYHHRA-KRWDZBQOSA-N 1 1 384.549 3.187 50 0 GGAAMO CCn1c2ccccc2nc1CN1CC[N@@H+](Cc2cccs2)[C@@H](CCO)C1 ZINC000020999840 207224434 /nfs/dbraw/zinc/22/44/34/207224434.db2.gz FVOGRQGMRYHHRA-KRWDZBQOSA-N 1 1 384.549 3.187 50 0 GGAAMO Cc1nc(N2CCCCC2)cc(N2CCN(C(=O)c3ccccc3Cl)CC2)[nH+]1 ZINC000021793729 207237576 /nfs/dbraw/zinc/23/75/76/207237576.db2.gz PACKSFYWQLNGIP-UHFFFAOYSA-N 1 1 399.926 3.391 50 0 GGAAMO Cc1cccc(NC(=O)N2CCN(c3cc(N4CCCCC4)nc(C)[nH+]3)CC2)c1 ZINC000021795157 207237590 /nfs/dbraw/zinc/23/75/90/207237590.db2.gz CIADUKXGGZWUKG-UHFFFAOYSA-N 1 1 394.523 3.438 50 0 GGAAMO Cc1nc(N2CCCC2)cc(N2CCN(C(=O)c3cccc(Cl)c3)CC2)[nH+]1 ZINC000021793644 207238250 /nfs/dbraw/zinc/23/82/50/207238250.db2.gz UDGOGMZFQUDPTD-UHFFFAOYSA-N 1 1 385.899 3.001 50 0 GGAAMO COC(=O)c1ccc(C[N@H+]2CCC[C@H](N3CCN(c4ccccc4)CC3)C2)cc1 ZINC000022914478 207262927 /nfs/dbraw/zinc/26/29/27/207262927.db2.gz QPXLVBXDQLNQKL-QHCPKHFHSA-N 1 1 393.531 3.260 50 0 GGAAMO COC(=O)c1ccc(CN2CCC[C@H]([NH+]3CCN(c4ccccc4)CC3)C2)cc1 ZINC000022914478 207262932 /nfs/dbraw/zinc/26/29/32/207262932.db2.gz QPXLVBXDQLNQKL-QHCPKHFHSA-N 1 1 393.531 3.260 50 0 GGAAMO Cc1ccc(CN2CC[N@@H+](Cc3cn(C)nc3-c3ccccc3)C[C@@H]2CCO)o1 ZINC000022851308 207263817 /nfs/dbraw/zinc/26/38/17/207263817.db2.gz QAUNCSVWPUNPQB-NRFANRHFSA-N 1 1 394.519 3.057 50 0 GGAAMO Cc1ccc(CN2CC[N@H+](Cc3cn(C)nc3-c3ccccc3)C[C@@H]2CCO)o1 ZINC000022851308 207263819 /nfs/dbraw/zinc/26/38/19/207263819.db2.gz QAUNCSVWPUNPQB-NRFANRHFSA-N 1 1 394.519 3.057 50 0 GGAAMO Cc1ccc(C[N@H+]2CCN(Cc3cn(C)nc3-c3ccccc3)C[C@@H]2CCO)o1 ZINC000022851308 207263825 /nfs/dbraw/zinc/26/38/25/207263825.db2.gz QAUNCSVWPUNPQB-NRFANRHFSA-N 1 1 394.519 3.057 50 0 GGAAMO Cc1ccc(C[N@@H+]2CCN(Cc3cn(C)nc3-c3ccccc3)C[C@@H]2CCO)o1 ZINC000022851308 207263828 /nfs/dbraw/zinc/26/38/28/207263828.db2.gz QAUNCSVWPUNPQB-NRFANRHFSA-N 1 1 394.519 3.057 50 0 GGAAMO CC(C)Oc1ccc(C[NH+]2CCN(C[C@H]3COc4ccccc4O3)CC2)cc1 ZINC000022454524 207254428 /nfs/dbraw/zinc/25/44/28/207254428.db2.gz WSGXVNCXEBEUMH-NRFANRHFSA-N 1 1 382.504 3.431 50 0 GGAAMO COc1ccc(CN2CC[N@H+](Cc3ccc(F)cc3)[C@@H](CCO)C2)c(F)c1 ZINC000022919664 207264533 /nfs/dbraw/zinc/26/45/33/207264533.db2.gz XUIOXDSZMOCFEX-IBGZPJMESA-N 1 1 376.447 3.042 50 0 GGAAMO COc1ccc(CN2CC[N@@H+](Cc3ccc(F)cc3)[C@@H](CCO)C2)c(F)c1 ZINC000022919664 207264538 /nfs/dbraw/zinc/26/45/38/207264538.db2.gz XUIOXDSZMOCFEX-IBGZPJMESA-N 1 1 376.447 3.042 50 0 GGAAMO C[N@@H+](Cc1ccccc1)C1(CNC(=O)CCc2cn[nH]c2)Cc2ccccc2C1 ZINC000023128863 207269267 /nfs/dbraw/zinc/26/92/67/207269267.db2.gz UFJLALHLOZHIQD-UHFFFAOYSA-N 1 1 388.515 3.128 50 0 GGAAMO CN(Cc1ccco1)Cc1ccc(-c2nc([C@H]3CCC[NH2+]C3)cc(=O)[nH]2)cc1 ZINC000023130764 207269533 /nfs/dbraw/zinc/26/95/33/207269533.db2.gz PCEMEZMBTATEDA-SFHVURJKSA-N 1 1 378.476 3.129 50 0 GGAAMO Cc1ccc2c(C[N@H+]3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)cc(=O)oc2c1C ZINC000023127129 207270048 /nfs/dbraw/zinc/27/00/48/207270048.db2.gz BCDYEECJAUMWDJ-AEFFLSMTSA-N 1 1 376.456 3.191 50 0 biogenic GGAAMO O=c1cc(C[N@H+]2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)c2cc3c(cc2o1)CCC3 ZINC000023127134 207270428 /nfs/dbraw/zinc/27/04/28/207270428.db2.gz ORMVGDXWHFURNS-BEFAXECRSA-N 1 1 388.467 3.063 50 0 biogenic GGAAMO CCOC(=O)N1CCN([C@@H]2CCC[N@H+](Cc3nc(C(C)C)cs3)C2)CC1 ZINC000023358512 207274349 /nfs/dbraw/zinc/27/43/49/207274349.db2.gz FSUZEJRNQQMPLN-MRXNPFEDSA-N 1 1 380.558 3.005 50 0 GGAAMO CCOC(=O)N1CCN([C@@H]2CCC[N@@H+](Cc3nc(C(C)C)cs3)C2)CC1 ZINC000023358512 207274353 /nfs/dbraw/zinc/27/43/53/207274353.db2.gz FSUZEJRNQQMPLN-MRXNPFEDSA-N 1 1 380.558 3.005 50 0 GGAAMO CCOC(=O)N1CCN([C@H]2CCC[N@H+](Cc3nc(C(C)C)cs3)C2)CC1 ZINC000023358513 207275019 /nfs/dbraw/zinc/27/50/19/207275019.db2.gz FSUZEJRNQQMPLN-INIZCTEOSA-N 1 1 380.558 3.005 50 0 GGAAMO CCOC(=O)N1CCN([C@H]2CCC[N@@H+](Cc3nc(C(C)C)cs3)C2)CC1 ZINC000023358513 207275021 /nfs/dbraw/zinc/27/50/21/207275021.db2.gz FSUZEJRNQQMPLN-INIZCTEOSA-N 1 1 380.558 3.005 50 0 GGAAMO COc1cccc(-c2ccc(N3CCC([N@H+]4CCNC(=O)CC4)CC3)cc2)c1 ZINC000023339612 207275125 /nfs/dbraw/zinc/27/51/25/207275125.db2.gz QLNNMZPPOHXUSS-UHFFFAOYSA-N 1 1 379.504 3.153 50 0 GGAAMO 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Cn1ncc2c1nc(C[N@H+]1CCCC(c3ccccc3)(c3ccccc3)C1)[nH]c2=O ZINC000095529817 208229777 /nfs/dbraw/zinc/22/97/77/208229777.db2.gz MPGDCMQWKMPIHQ-UHFFFAOYSA-N 1 1 399.498 3.239 50 0 GGAAMO CCN(C[C@H]1CCC[N@@H+](CCc2cccc(OC)c2)C1)C(=O)c1ncoc1C ZINC000095530704 208230866 /nfs/dbraw/zinc/23/08/66/208230866.db2.gz CVIPQKGASALHRO-IBGZPJMESA-N 1 1 385.508 3.408 50 0 GGAAMO COCCN(C[C@@H]1CCC[N@H+](C2Cc3ccccc3C2)C1)C(=O)c1cc[nH]c1C ZINC000095531322 208231129 /nfs/dbraw/zinc/23/11/29/208231129.db2.gz FHUWEKJLKJSHEI-LJQANCHMSA-N 1 1 395.547 3.291 50 0 GGAAMO Cn1ncc2cc(NC(=O)N[C@@H]3CCC[N@H+](Cc4ccccc4F)C3)ccc21 ZINC000096141993 208272536 /nfs/dbraw/zinc/27/25/36/208272536.db2.gz IGNZSFJDPOROEJ-GOSISDBHSA-N 1 1 381.455 3.499 50 0 GGAAMO Cn1ncc2cc(NC(=O)N[C@@H]3CCC[N@@H+](Cc4ccccc4F)C3)ccc21 ZINC000096141993 208272540 /nfs/dbraw/zinc/27/25/40/208272540.db2.gz IGNZSFJDPOROEJ-GOSISDBHSA-N 1 1 381.455 3.499 50 0 GGAAMO CCOCC[NH+]1CCN(C(=O)Nc2cccc(/C=C/c3ccccn3)c2)CC1 ZINC000096152665 208276571 /nfs/dbraw/zinc/27/65/71/208276571.db2.gz VWYUKDPLBQBZNF-MDZDMXLPSA-N 1 1 380.492 3.438 50 0 GGAAMO O=C(NC[C@@H](c1cccnc1)[NH+]1CCCCC1)c1ccc(-n2cccn2)cc1 ZINC000096160296 208277893 /nfs/dbraw/zinc/27/78/93/208277893.db2.gz QBBPHXPWBQRNLK-NRFANRHFSA-N 1 1 375.476 3.224 50 0 GGAAMO O=C(NC[C@@H]1CCC[N@H+]2CCCC[C@H]12)c1cc(-c2ccc3c(c2)CCO3)n[nH]1 ZINC000096116156 208264826 /nfs/dbraw/zinc/26/48/26/208264826.db2.gz PPJSEGZYQGESOS-FXAWDEMLSA-N 1 1 380.492 3.006 50 0 biogenic GGAAMO COc1ccc(-c2ccccc2)cc1NC(=O)NCC[N@H+]1CCCC[C@H]1CO ZINC000096132668 208268206 /nfs/dbraw/zinc/26/82/06/208268206.db2.gz PXADTKBEEWHCFM-IBGZPJMESA-N 1 1 383.492 3.331 50 0 GGAAMO CCN(C[C@H]1CCC[N@@H+](CCc2cccc(OC)c2)C1)C(=O)c1cc(C)no1 ZINC000096139160 208269369 /nfs/dbraw/zinc/26/93/69/208269369.db2.gz LCHXCHJCSQRDGA-IBGZPJMESA-N 1 1 385.508 3.408 50 0 GGAAMO C[N@H+]1CCCN(C(=O)Nc2cc(C(=O)N3CCCCC3)ccc2Cl)CC1 ZINC000096132663 208270069 /nfs/dbraw/zinc/27/00/69/208270069.db2.gz BKHGYDQEXPMCOX-UHFFFAOYSA-N 1 1 378.904 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0 GGAAMO O=C([C@@H]1CCC[N@H+](C2CCN(c3nccc4occc43)CC2)C1)N1CCCC1 ZINC000071774588 136166661 /nfs/dbraw/zinc/16/66/61/136166661.db2.gz BXXSAVSXQTUGRY-QGZVFWFLSA-N 1 1 382.508 3.131 50 0 GGAAMO COc1ccc(CC[N@@H+](C)[C@@H]2CCCN(c3ncnc(C)c3C)C2)cc1OC ZINC000072174107 136167565 /nfs/dbraw/zinc/16/75/65/136167565.db2.gz OUJUZJIPFBABTC-LJQANCHMSA-N 1 1 384.524 3.254 50 0 GGAAMO Cc1cccc(CN2CCN(c3cc(C)[nH+]c4ccccc43)C[C@@H]2CCO)n1 ZINC000072421720 136169757 /nfs/dbraw/zinc/16/97/57/136169757.db2.gz ZCCRWOYQUUJOBX-FQEVSTJZSA-N 1 1 376.504 3.320 50 0 GGAAMO OCC[C@@H]1CN(c2ccc(-c3ccccc3)nn2)CC[N@@H+]1Cc1ccc(F)cc1 ZINC000072421834 136169906 /nfs/dbraw/zinc/16/99/06/136169906.db2.gz WFHWADDJIPKRLX-OAQYLSRUSA-N 1 1 392.478 3.356 50 0 GGAAMO OCC[C@@H]1CN(c2ccc(-c3ccccc3)nn2)CC[N@H+]1Cc1ccc(F)cc1 ZINC000072421834 136169907 /nfs/dbraw/zinc/16/99/07/136169907.db2.gz WFHWADDJIPKRLX-OAQYLSRUSA-N 1 1 392.478 3.356 50 0 GGAAMO COc1cccc(C[N@H+]2CCN(c3nccc4ccccc43)C[C@@H]2CCO)c1 ZINC000072421391 136169952 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O=C(Nc1ccc(Cl)cc1)N1CCN(c2cc[nH+]c(N3CCCC3)n2)CC1 ZINC000072442291 136170899 /nfs/dbraw/zinc/17/08/99/136170899.db2.gz ZFNMBIOOOYGPJE-UHFFFAOYSA-N 1 1 386.887 3.084 50 0 GGAAMO Cc1ccc[nH+]c1N1CCN(C(=O)c2csc(Cc3ccccc3)n2)CC1 ZINC000082097706 136173497 /nfs/dbraw/zinc/17/34/97/136173497.db2.gz NJZYTPVDNLGLNJ-UHFFFAOYSA-N 1 1 378.501 3.400 50 0 GGAAMO C[N@H+]1CCCC[C@@H]1C(=O)N1CCN(c2ccccc2-c2ccccc2)C(=O)C1 ZINC000082100143 136173603 /nfs/dbraw/zinc/17/36/03/136173603.db2.gz MTJCGMXIHINQLA-OAQYLSRUSA-N 1 1 377.488 3.013 50 0 GGAAMO CC(C)(C)c1ccc(C(=O)N2CCN(c3cc[nH+]c(N4CCCC4)n3)CC2)cc1 ZINC000082230623 136174383 /nfs/dbraw/zinc/17/43/83/136174383.db2.gz LTFCYZZRMGUGOV-UHFFFAOYSA-N 1 1 393.535 3.337 50 0 GGAAMO O=C(c1cccc(Cl)c1)N1CCN(c2cc[nH+]c(N3CCCCC3)n2)CC1 ZINC000082230539 136174468 /nfs/dbraw/zinc/17/44/68/136174468.db2.gz SGAYJJZVFOZMEN-UHFFFAOYSA-N 1 1 385.899 3.083 50 0 GGAAMO Cc1ccc(NC(=O)N2CCN(c3cc[nH+]c(N4CCCCC4)n3)CC2)cc1 ZINC000082230432 136174623 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Cc1ccccc1CN1CC[N@H+](Cc2ccc(-n3cccn3)cc2)C[C@H]1CCO ZINC000104412980 570258085 /nfs/dbraw/zinc/25/80/85/570258085.db2.gz QNZHWOVYHKGTOY-XMMPIXPASA-N 1 1 390.531 3.250 50 0 GGAAMO Cc1ccccc1CN1CC[N@@H+](Cc2ccc(-n3cccn3)cc2)C[C@H]1CCO ZINC000104412980 570258086 /nfs/dbraw/zinc/25/80/86/570258086.db2.gz QNZHWOVYHKGTOY-XMMPIXPASA-N 1 1 390.531 3.250 50 0 GGAAMO CCOc1ccccc1C[N@@H+]1CCN(Cc2cc(F)cc(F)c2)C[C@H]1CCO ZINC000104457833 570258485 /nfs/dbraw/zinc/25/84/85/570258485.db2.gz QSSVSNWQAPUNEP-OAQYLSRUSA-N 1 1 390.474 3.432 50 0 GGAAMO CCOc1ccccc1C[N@H+]1CCN(Cc2cc(F)cc(F)c2)C[C@H]1CCO ZINC000104457833 570258488 /nfs/dbraw/zinc/25/84/88/570258488.db2.gz QSSVSNWQAPUNEP-OAQYLSRUSA-N 1 1 390.474 3.432 50 0 GGAAMO COc1ccc(C[N@@H+]2CCN(Cc3ccccc3OC)C[C@H]2CCO)c(C)c1C ZINC000104448572 570258533 /nfs/dbraw/zinc/25/85/33/570258533.db2.gz DEHWMLLFQYODNZ-JOCHJYFZSA-N 1 1 398.547 3.389 50 0 GGAAMO COc1ccc(CN2CCN(Cc3ccccc3OC)C[C@H]2CCO)c(C)c1C ZINC000104448572 570258534 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COc1cccc(CN2CC[N@@H+](Cc3ccccc3C)[C@H](CCO)C2)c1OC ZINC000104548314 570259758 /nfs/dbraw/zinc/25/97/58/570259758.db2.gz VPFWSFLFHGHPTQ-OAQYLSRUSA-N 1 1 384.520 3.081 50 0 GGAAMO Cc1ccc(C[N@@H+]2CCN(Cc3c[nH]nc3C3CCCCC3)C[C@H]2CCO)o1 ZINC000104520620 570259905 /nfs/dbraw/zinc/25/99/05/570259905.db2.gz PKGSALMHZRJQDZ-HXUWFJFHSA-N 1 1 386.540 3.428 50 0 GGAAMO Cc1ccc(C[N@H+]2CCN(Cc3c[nH]nc3C3CCCCC3)C[C@H]2CCO)o1 ZINC000104520620 570259908 /nfs/dbraw/zinc/25/99/08/570259908.db2.gz PKGSALMHZRJQDZ-HXUWFJFHSA-N 1 1 386.540 3.428 50 0 GGAAMO COc1cccc(CN2CC[N@@H+](Cc3c[nH]c4ccccc34)C[C@H]2CCO)c1 ZINC000104554886 570259924 /nfs/dbraw/zinc/25/99/24/570259924.db2.gz ASPGUHCQLIFRGD-HXUWFJFHSA-N 1 1 379.504 3.245 50 0 GGAAMO COc1cccc(C[N@@H+]2CCN(Cc3c[nH]c4ccccc34)C[C@H]2CCO)c1 ZINC000104554886 570259927 /nfs/dbraw/zinc/25/99/27/570259927.db2.gz ASPGUHCQLIFRGD-HXUWFJFHSA-N 1 1 379.504 3.245 50 0 GGAAMO COc1cccc(C[N@H+]2CCN(Cc3c[nH]c4ccccc34)C[C@H]2CCO)c1 ZINC000104554886 570259930 /nfs/dbraw/zinc/25/99/30/570259930.db2.gz ASPGUHCQLIFRGD-HXUWFJFHSA-N 1 1 379.504 3.245 50 0 GGAAMO COc1cc(CN2CC[N@@H+](Cc3ccc(C)cc3)[C@H](CCO)C2)cc(OC)c1 ZINC000104533827 570260073 /nfs/dbraw/zinc/26/00/73/570260073.db2.gz LMQYPOFINDJNOL-OAQYLSRUSA-N 1 1 384.520 3.081 50 0 GGAAMO COc1ccc(C[N@H+]2CCN(Cc3ccc(O)cc3)C[C@H]2CCO)c(C)c1C ZINC000104553234 570260199 /nfs/dbraw/zinc/26/01/99/570260199.db2.gz RJKXEBVMISEJOE-OAQYLSRUSA-N 1 1 384.520 3.086 50 0 GGAAMO COc1ccc(CN2CC[N@H+](Cc3ccc(O)cc3)C[C@H]2CCO)c(C)c1C ZINC000104553234 570260202 /nfs/dbraw/zinc/26/02/02/570260202.db2.gz RJKXEBVMISEJOE-OAQYLSRUSA-N 1 1 384.520 3.086 50 0 GGAAMO COc1ccc(CN2CC[N@@H+](Cc3ccc(O)cc3)C[C@H]2CCO)c(C)c1C ZINC000104553234 570260204 /nfs/dbraw/zinc/26/02/04/570260204.db2.gz RJKXEBVMISEJOE-OAQYLSRUSA-N 1 1 384.520 3.086 50 0 GGAAMO COc1cc(CN2CC[N@H+](C/C=C/c3ccccc3)C[C@H]2CCO)cc(OC)c1 ZINC000105280537 570260680 /nfs/dbraw/zinc/26/06/80/570260680.db2.gz DGBBJPQZXMXPMM-MECCDNJOSA-N 1 1 396.531 3.286 50 0 GGAAMO 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3.480 50 0 GGAAMO O=C(NCc1cccc(OC(F)(F)F)c1)[C@@H](c1cccnc1)[NH+]1CCCC1 ZINC000102541005 570289872 /nfs/dbraw/zinc/28/98/72/570289872.db2.gz NTWKTMUNALRBOT-QGZVFWFLSA-N 1 1 379.382 3.434 50 0 GGAAMO Cc1noc2nc(C)cc(C(=O)NC[C@H](c3cccnc3)[NH+]3CCCCC3)c12 ZINC000215703004 570290620 /nfs/dbraw/zinc/29/06/20/570290620.db2.gz UWONXPILWGLUQF-GOSISDBHSA-N 1 1 379.464 3.192 50 0 GGAAMO Cc1cc(C(=O)NCCC[N@H+]2CCC[C@H](CO)C2)c2ccc(Cl)cc2n1 ZINC000216038275 570294975 /nfs/dbraw/zinc/29/49/75/570294975.db2.gz JINYWVXQQMSWAD-HNNXBMFYSA-N 1 1 375.900 3.021 50 0 GGAAMO CN1CC[NH+](CCCNC(=O)C[C@H](c2ccccc2)c2ccc(F)cc2)CC1 ZINC000216137325 570296416 /nfs/dbraw/zinc/29/64/16/570296416.db2.gz MAGKEMUJUZTEFP-JOCHJYFZSA-N 1 1 383.511 3.101 50 0 GGAAMO CCCn1cc(C(=O)NC2CC[NH+](Cc3cc(F)cc(F)c3)CC2)c(C)n1 ZINC000216205726 570297326 /nfs/dbraw/zinc/29/73/26/570297326.db2.gz XBPVFMOWGZDPKP-UHFFFAOYSA-N 1 1 376.451 3.274 50 0 GGAAMO CC(C)[N@@H+]1CCNC(=O)[C@H]1CC(=O)N(C)Cc1ccc(Oc2ccccc2)cc1 ZINC000012303451 570300469 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0 GGAAMO C[N@@H+](CCO)CC(=O)N1N=C(c2ccco2)C[C@@H]1c1ccc(Cl)cc1Cl ZINC000011692721 570340431 /nfs/dbraw/zinc/34/04/31/570340431.db2.gz MGLASWPNLRXSHU-MRXNPFEDSA-N 1 1 396.274 3.188 50 0 GGAAMO C[N@H+](CCO)CC(=O)N1N=C(c2ccco2)C[C@H]1c1ccc(Cl)cc1Cl ZINC000011692722 570340528 /nfs/dbraw/zinc/34/05/28/570340528.db2.gz MGLASWPNLRXSHU-INIZCTEOSA-N 1 1 396.274 3.188 50 0 GGAAMO C[N@@H+](CCO)CC(=O)N1N=C(c2ccco2)C[C@H]1c1ccc(Cl)cc1Cl ZINC000011692722 570340532 /nfs/dbraw/zinc/34/05/32/570340532.db2.gz MGLASWPNLRXSHU-INIZCTEOSA-N 1 1 396.274 3.188 50 0 GGAAMO CCc1ccc(NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]2Cc3ccccc3C[NH2+]2)cc1 ZINC000035360160 570344521 /nfs/dbraw/zinc/34/45/21/570344521.db2.gz VKNGIVWIQDYXLU-VXKWHMMOSA-N 1 1 393.531 3.433 50 0 GGAAMO Cc1ccc(NC(=O)[C@@H](NC(=O)[C@@H]2Cc3ccccc3C[NH2+]2)C(C)C)c(C)c1 ZINC000035361708 570344755 /nfs/dbraw/zinc/34/47/55/570344755.db2.gz DHUDTOHWNVRFMM-SFTDATJTSA-N 1 1 379.504 3.097 50 0 GGAAMO COCCCN(C[C@@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)CCCn1cccc1 ZINC000604404220 570361049 /nfs/dbraw/zinc/36/10/49/570361049.db2.gz LSKIBAJNIQTWMW-LEWJYISDSA-N 1 1 375.557 3.398 50 0 biogenic GGAAMO c1ccc2c(c1)oc1c2ncnc1N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000004196806 570362697 /nfs/dbraw/zinc/36/26/97/570362697.db2.gz AXDXFQBNLBHSOY-UHFFFAOYSA-N 1 1 388.427 3.427 50 0 GGAAMO CC[C@H](C)[C@H](NC(=O)[C@@H]1Cc2ccccc2C[NH2+]1)C(=O)N[C@H](C)c1ccccc1 ZINC000035485129 570374479 /nfs/dbraw/zinc/37/44/79/570374479.db2.gz OILOJSRFFAWWFA-YVCBRDFCSA-N 1 1 393.531 3.109 50 0 biogenic GGAAMO O=C1C[C@@H]([NH+]2CCC(c3nc4ccccc4[nH]3)CC2)C(=O)N1c1cccc(F)c1 ZINC000004624984 570388755 /nfs/dbraw/zinc/38/87/55/570388755.db2.gz MIUQBDWTWMBCCE-LJQANCHMSA-N 1 1 392.434 3.214 50 0 GGAAMO COc1cccc(CN2CCC([NH+]3CCN(c4ccccc4OC)CC3)CC2)c1 ZINC000004703449 570395191 /nfs/dbraw/zinc/39/51/91/570395191.db2.gz SZKXSUXAAMGZDD-UHFFFAOYSA-N 1 1 395.547 3.490 50 0 GGAAMO CC(C)(C)OC(=O)N[C@H]1CCC[N@H+](C[C@@H]2CN(c3ccc(F)cc3)C(=O)O2)C1 ZINC000221541398 570395918 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ICLJWEUKNWPSAO-SFHVURJKSA-N 1 1 390.524 3.327 50 0 GGAAMO CC(C)c1ccc(NC(=O)[C@H]2CCCN2C(=O)[C@@H]2Cc3ccccc3C[NH2+]2)cc1 ZINC000035855945 570465238 /nfs/dbraw/zinc/46/52/38/570465238.db2.gz NCESDYLKAONMPK-FCHUYYIVSA-N 1 1 391.515 3.454 50 0 GGAAMO CCc1ccc(NC(=O)[C@H](NC(=O)[C@H]2Cc3ccccc3C[NH2+]2)C(C)C)cc1 ZINC000035876493 570469552 /nfs/dbraw/zinc/46/95/52/570469552.db2.gz IEZGVGGMPPAGLG-NHCUHLMSSA-N 1 1 379.504 3.043 50 0 GGAAMO O=C(NCCCc1nc2ccc(F)cc2[nH]1)C1CC[NH+](Cc2ccco2)CC1 ZINC000223770713 570483957 /nfs/dbraw/zinc/48/39/57/570483957.db2.gz SYTPKFVCOQSHFR-UHFFFAOYSA-N 1 1 384.455 3.256 50 0 GGAAMO COc1ccc(-c2ccc(C(=O)N(C)C[C@]3(C)CC[N@@H+](C)C3)cc2)cc1CO ZINC000426627828 570502680 /nfs/dbraw/zinc/50/26/80/570502680.db2.gz QOSRFXULJCCWQF-HSZRJFAPSA-N 1 1 382.504 3.268 50 0 GGAAMO Cc1[nH+]ccn1CC[C@H]1CCCCN1C(=O)NCc1[nH]nc2c1CCCCC2 ZINC000426628727 570502848 /nfs/dbraw/zinc/50/28/48/570502848.db2.gz GWFPYBSSKKTXBW-QGZVFWFLSA-N 1 1 384.528 3.338 50 0 GGAAMO 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KSXZISSXQMHQJL-HNNXBMFYSA-N 1 1 395.482 3.424 50 0 GGAAMO COc1ccc2c(c1)OC[C@H](C(=O)NCc1ccccc1-n1cc[nH+]c1C)C2 ZINC000064658689 570756152 /nfs/dbraw/zinc/75/61/52/570756152.db2.gz CQDKCJPHUIDZCY-GOSISDBHSA-N 1 1 377.444 3.057 50 0 GGAAMO COc1ccc(-c2cc(C(F)F)nc(N3CC[N@H+]4CCC[C@@H]4C3)n2)cc1OC ZINC000036614001 570758008 /nfs/dbraw/zinc/75/80/08/570758008.db2.gz WCCCZKDASGKOQP-CQSZACIVSA-N 1 1 390.434 3.383 50 0 GGAAMO CC[C@H](C)[C@H](NC(=O)[C@@H]1Cc2ccccc2C[NH2+]1)C(=O)Nc1ccc(C)cc1 ZINC000013556766 570758235 /nfs/dbraw/zinc/75/82/35/570758235.db2.gz CIURKCQXEYADEO-NDXORKPFSA-N 1 1 379.504 3.179 50 0 GGAAMO CSc1cccc(NC(=O)NCCNc2cc(N3CCCC3)[nH+]c(C)n2)c1 ZINC000065362113 570759788 /nfs/dbraw/zinc/75/97/88/570759788.db2.gz BMRWKWIDDMPRHV-UHFFFAOYSA-N 1 1 386.525 3.341 50 0 GGAAMO CCNc1cc(N2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)[nH+]c(C)n1 ZINC000065362735 570760139 /nfs/dbraw/zinc/76/01/39/570760139.db2.gz AOCPZDGKXDXELD-UHFFFAOYSA-N 1 1 394.306 3.486 50 0 GGAAMO CCNc1cc(N2CCN(C(=O)c3ccc(C(C)(C)C)cc3)CC2)[nH+]c(C)n1 ZINC000065362717 570760282 /nfs/dbraw/zinc/76/02/82/570760282.db2.gz XFISGNPWUZXAKB-UHFFFAOYSA-N 1 1 381.524 3.477 50 0 GGAAMO Cn1cc(NC(=O)c2ccc(C[N@@H+](C)Cc3ccc4c(c3)OCO4)cc2)cn1 ZINC000065369929 570761704 /nfs/dbraw/zinc/76/17/04/570761704.db2.gz CHATXLIOIKZLHI-UHFFFAOYSA-N 1 1 378.432 3.033 50 0 GGAAMO C[N@H+](CC(=O)Nc1ccc(Cl)cc1F)C[C@H]1CC(=O)N(C2CCCC2)C1 ZINC000065374310 570762454 /nfs/dbraw/zinc/76/24/54/570762454.db2.gz PSZUVGZRLULQOV-CYBMUJFWSA-N 1 1 381.879 3.141 50 0 GGAAMO CCn1cc(NC(=O)c2ccc(C[N@H+]3CCC[C@@H]3c3ccccn3)cc2)nn1 ZINC000065375188 570762579 /nfs/dbraw/zinc/76/25/79/570762579.db2.gz KLUPIADIUXRKBE-LJQANCHMSA-N 1 1 376.464 3.282 50 0 GGAAMO COc1ccc(OC)c([C@@H]2CC[N@@H+](Cc3nnc(-c4ccc(C)n4C)o3)C2)c1 ZINC000065381257 570763094 /nfs/dbraw/zinc/76/30/94/570763094.db2.gz XCLFMRSTUBWOKQ-OAHLLOKOSA-N 1 1 382.464 3.390 50 0 GGAAMO CC[NH+]1CCN(C(=O)Cc2c(C)c3c4occ(C)c4c(C)cc3oc2=O)CC1 ZINC000013625503 570763898 /nfs/dbraw/zinc/76/38/98/570763898.db2.gz QHOZAQWMVPHWHF-UHFFFAOYSA-N 1 1 382.460 3.171 50 0 GGAAMO CCc1cc(C(=O)N2CC[NH+](C)CC2)c2c(C3CC3)nn(-c3ccccc3)c2n1 ZINC000036621587 570764818 /nfs/dbraw/zinc/76/48/18/570764818.db2.gz HOIIKOXUFRVVDU-UHFFFAOYSA-N 1 1 389.503 3.248 50 0 GGAAMO CC(=O)Nc1cccc(NC(=O)c2ccc(C[N@H+]3CCC[C@](C)(O)C3)cc2)c1 ZINC000065398691 570766183 /nfs/dbraw/zinc/76/61/83/570766183.db2.gz SRWXVNUFNCCJHS-QFIPXVFZSA-N 1 1 381.476 3.244 50 0 GGAAMO CCn1cc(-c2c(-c3ccccc3)ncn2CC[N@H+]2CCCC[C@H]2CO)cn1 ZINC000065404182 570766686 /nfs/dbraw/zinc/76/66/86/570766686.db2.gz LBRMENPTRBKTSY-FQEVSTJZSA-N 1 1 379.508 3.280 50 0 GGAAMO CCc1nccc(-c2c(-c3ccccc3)ncn2CC[N@H+]2CCCC[C@H]2CO)n1 ZINC000065407357 570767014 /nfs/dbraw/zinc/76/70/14/570767014.db2.gz JFSKIVWBAREPGJ-IBGZPJMESA-N 1 1 391.519 3.416 50 0 GGAAMO Cc1ccc(NC(=O)c2ccc(C[N@H+](C)Cc3cnc4ccccn34)cc2)nn1 ZINC000065408830 570767145 /nfs/dbraw/zinc/76/71/45/570767145.db2.gz OCSCFDXZDIHKKI-UHFFFAOYSA-N 1 1 386.459 3.317 50 0 GGAAMO Cc1ccc(NC(=O)c2ccc(C[N@@H+](C)Cc3cnc4ccccn34)cc2)nn1 ZINC000065408830 570767147 /nfs/dbraw/zinc/76/71/47/570767147.db2.gz OCSCFDXZDIHKKI-UHFFFAOYSA-N 1 1 386.459 3.317 50 0 GGAAMO COc1ccc(-c2cc([C@H]3CC[N@@H+](Cc4cnc(N)nc4)C3)ccn2)cc1C ZINC000065410925 570767587 /nfs/dbraw/zinc/76/75/87/570767587.db2.gz CJBSQFONQZLILU-IBGZPJMESA-N 1 1 375.476 3.427 50 0 GGAAMO CCn1ccnc1-c1c(-c2ccccc2)ncn1CC[N@H+]1CCCC[C@H]1CO ZINC000065525607 570771863 /nfs/dbraw/zinc/77/18/63/570771863.db2.gz CZLFKBFQLWMPGQ-IBGZPJMESA-N 1 1 379.508 3.280 50 0 GGAAMO COc1ccc(NC(=S)N[C@@H](C)[C@@H](c2ccccc2)[NH+]2CCN(C)CC2)cc1 ZINC000022031421 570778208 /nfs/dbraw/zinc/77/82/08/570778208.db2.gz VWIWSZAQESTXKI-UWJYYQICSA-N 1 1 398.576 3.359 50 0 GGAAMO Cc1ccc(C2(O)CC[NH+](Cc3cccnc3OCC(F)(F)F)CC2)nc1 ZINC000067489765 570780526 /nfs/dbraw/zinc/78/05/26/570780526.db2.gz SXTKPRMDERGBPY-UHFFFAOYSA-N 1 1 381.398 3.210 50 0 GGAAMO C[C@@H]1CC[C@H](C)N1C(=O)c1coc(CN2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000067490491 570780653 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ZINC000014949658 1399128760 /nfs/dbraw/zinc/12/87/60/1399128760.db2.gz YOMGRXDKZMLKIY-HSZRJFAPSA-N 1 1 382.552 3.423 50 0 GGAAMO COCCN1CCC[C@@]2(CC[N@@H+](Cc3cc(C)cc(C)c3-n3cccn3)C2)C1 ZINC000014949658 1399128763 /nfs/dbraw/zinc/12/87/63/1399128763.db2.gz YOMGRXDKZMLKIY-HSZRJFAPSA-N 1 1 382.552 3.423 50 0 GGAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)c1coc(COc2ccc(F)cc2Cl)n1 ZINC000014958355 1399128932 /nfs/dbraw/zinc/12/89/32/1399128932.db2.gz ILKOFAFPBHQIDN-CYBMUJFWSA-N 1 1 381.835 3.260 50 0 GGAAMO CCOC(=O)[C@@]1(Cc2ccc(F)cc2F)CCC[N@@H+](Cc2cnn(C)c2C)C1 ZINC000014973050 1399129452 /nfs/dbraw/zinc/12/94/52/1399129452.db2.gz ZXKVGKDHGPUDQD-OAQYLSRUSA-N 1 1 391.462 3.395 50 0 GGAAMO CCCC[N@H+](Cc1ccccc1)Cc1ccc(C(=O)NC[C@@H]2CCCO2)c(=O)[nH]1 ZINC000014996297 1399130290 /nfs/dbraw/zinc/13/02/90/1399130290.db2.gz QDSSWGAOSJGVJB-FQEVSTJZSA-N 1 1 397.519 3.086 50 0 GGAAMO Cc1nn(C(C)C)c(C)c1C[N@@H+]1CCN(Cc2ccc(F)cc2)[C@@H](CCO)C1 ZINC000019228930 1399328786 /nfs/dbraw/zinc/32/87/86/1399328786.db2.gz IATMSSRNDRCNDQ-NRFANRHFSA-N 1 1 388.531 3.289 50 0 GGAAMO Cc1nn(C(C)C)c(C)c1C[N@H+]1CCN(Cc2ccc(F)cc2)[C@@H](CCO)C1 ZINC000019228930 1399328792 /nfs/dbraw/zinc/32/87/92/1399328792.db2.gz IATMSSRNDRCNDQ-NRFANRHFSA-N 1 1 388.531 3.289 50 0 GGAAMO Cc1nn(C(C)C)c(C)c1CN1CC[N@H+](Cc2ccc(F)cc2)[C@@H](CCO)C1 ZINC000019228930 1399328798 /nfs/dbraw/zinc/32/87/98/1399328798.db2.gz IATMSSRNDRCNDQ-NRFANRHFSA-N 1 1 388.531 3.289 50 0 GGAAMO Cc1nn(C(C)C)c(C)c1CN1CC[N@@H+](Cc2ccc(F)cc2)[C@@H](CCO)C1 ZINC000019228930 1399328805 /nfs/dbraw/zinc/32/88/05/1399328805.db2.gz IATMSSRNDRCNDQ-NRFANRHFSA-N 1 1 388.531 3.289 50 0 GGAAMO Cc1cc2cc(C(=O)N3CCC[C@H](CCC(=O)N4CC[NH+](C)CC4)C3)ccc2o1 ZINC000019537336 1399331395 /nfs/dbraw/zinc/33/13/95/1399331395.db2.gz DOBPDDBPMAZYKS-GOSISDBHSA-N 1 1 397.519 3.148 50 0 GGAAMO COC(=O)c1ccc(C[N@@H+]2CCc3ccc(NC(=O)[C@H]4CCCO4)cc3C2)cc1 ZINC000019641659 1399333410 /nfs/dbraw/zinc/33/34/10/1399333410.db2.gz UZTKRDSMLYGDDX-OAQYLSRUSA-N 1 1 394.471 3.149 50 0 GGAAMO COC(=O)c1ccc(C[N@H+]2CCc3ccc(NC(=O)[C@H]4CCCO4)cc3C2)cc1 ZINC000019641659 1399333413 /nfs/dbraw/zinc/33/34/13/1399333413.db2.gz UZTKRDSMLYGDDX-OAQYLSRUSA-N 1 1 394.471 3.149 50 0 GGAAMO COc1ccc(-n2cccn2)c(C[N@H+]2CCC[C@H]2c2ccc(C(N)=O)s2)c1 ZINC000019770204 1399338172 /nfs/dbraw/zinc/33/81/72/1399338172.db2.gz ZUWFYCXBORDXQB-KRWDZBQOSA-N 1 1 382.489 3.378 50 0 GGAAMO CC(C)CNC(=O)c1ccc([C@H]2CCCN2C(=O)C[NH+]2CCCCC2)s1 ZINC000019836423 1399338731 /nfs/dbraw/zinc/33/87/31/1399338731.db2.gz ZKBYGNHFFANNBP-MRXNPFEDSA-N 1 1 377.554 3.283 50 0 GGAAMO CN1CCC([N@@H+]2CCC[C@@H](NC(=O)c3ccc4cccc(Cl)c4n3)C2)CC1 ZINC000020207469 1399343567 /nfs/dbraw/zinc/34/35/67/1399343567.db2.gz STTYNTMUXOKOMU-MRXNPFEDSA-N 1 1 386.927 3.177 50 0 GGAAMO CN1CCC([N@H+]2CCC[C@@H](NC(=O)c3ccc4cccc(Cl)c4n3)C2)CC1 ZINC000020207469 1399343574 /nfs/dbraw/zinc/34/35/74/1399343574.db2.gz STTYNTMUXOKOMU-MRXNPFEDSA-N 1 1 386.927 3.177 50 0 GGAAMO Cc1ccccc1-c1ncc(CN2CC[N@@H+](C3CCCC3)[C@@H](CCO)C2)cn1 ZINC000020233545 1399344359 /nfs/dbraw/zinc/34/43/59/1399344359.db2.gz ILEDDNZAPFCDBH-NRFANRHFSA-N 1 1 380.536 3.263 50 0 GGAAMO Cc1cccc(-n2ccnc2CN2CC[N@H+](Cc3ccsc3)[C@@H](CCO)C2)c1 ZINC000020233096 1399344388 /nfs/dbraw/zinc/34/43/88/1399344388.db2.gz XEOFIKJYIHHXIE-NRFANRHFSA-N 1 1 396.560 3.311 50 0 GGAAMO Cc1cccc(-n2ccnc2CN2CC[N@@H+](Cc3ccsc3)[C@@H](CCO)C2)c1 ZINC000020233096 1399344394 /nfs/dbraw/zinc/34/43/94/1399344394.db2.gz XEOFIKJYIHHXIE-NRFANRHFSA-N 1 1 396.560 3.311 50 0 GGAAMO OCC[C@@H]1CN(Cc2cccn2-c2cccnc2)CC[N@H+]1CC1CCCCC1 ZINC000020534933 1399347907 /nfs/dbraw/zinc/34/79/07/1399347907.db2.gz LYMRPLVGXNULSX-JOCHJYFZSA-N 1 1 382.552 3.321 50 0 GGAAMO Cc1nnc(SCC(=O)N[C@H]2CCC[N@@H+](CCCc3ccccc3)C2)s1 ZINC000020599377 1399349575 /nfs/dbraw/zinc/34/95/75/1399349575.db2.gz JBFBHXYNDQAOJR-KRWDZBQOSA-N 1 1 390.578 3.152 50 0 GGAAMO CCOC(=O)N1CC[NH+](C[C@@H]2C(=O)O[C@@H]3C[C@@]4(C)CCC[C@H](C)C4=C[C@H]23)CC1 ZINC000020609752 1399349997 /nfs/dbraw/zinc/34/99/97/1399349997.db2.gz NGNDKPBQSHRIRV-PWYRSOQJSA-N 1 1 390.524 3.075 50 0 biogenic GGAAMO Cc1ccc(-c2nc(C[NH+]3CCC(C(=O)N4CCOCC4)CC3)c(C)o2)s1 ZINC000020854571 1399354864 /nfs/dbraw/zinc/35/48/64/1399354864.db2.gz RIBUMOXQAAGPRD-UHFFFAOYSA-N 1 1 389.521 3.091 50 0 GGAAMO O=C(CC[N@H+]1CC[C@H](c2ccc3c(c2)OCO3)C1)c1ccc2c(c1)OCCO2 ZINC000022216137 1399445179 /nfs/dbraw/zinc/44/51/79/1399445179.db2.gz URQRSYRFKGGKGY-KRWDZBQOSA-N 1 1 381.428 3.249 50 0 GGAAMO COc1cc(CN2CC[N@H+](C3CCCCC3)[C@@H](CCO)C2)cc(Cl)c1O ZINC000023153265 1399535568 /nfs/dbraw/zinc/53/55/68/1399535568.db2.gz MZTWCCZSMPTOAR-KRWDZBQOSA-N 1 1 382.932 3.256 50 0 GGAAMO O=c1cc(C2CCCC2)nc(-c2ccc(CN3CC[N@H+]4CCC[C@@H]4C3)cc2)[nH]1 ZINC000023192943 1399537817 /nfs/dbraw/zinc/53/78/17/1399537817.db2.gz NGBQYJHHXAAPGP-HXUWFJFHSA-N 1 1 378.520 3.375 50 0 GGAAMO Cc1cc(=O)[nH]c(CNC(=O)c2ccc([C@H]3CCC[N@H+]3C3CCCC3)s2)n1 ZINC000023250993 1399544508 /nfs/dbraw/zinc/54/45/08/1399544508.db2.gz UGJBSAVONKZEOE-OAHLLOKOSA-N 1 1 386.521 3.149 50 0 GGAAMO COc1cccc(-n2cc(-c3ccnc(NC[C@@H]4CCCC[N@H+]4C)n3)cn2)c1 ZINC000023337232 1399550243 /nfs/dbraw/zinc/55/02/43/1399550243.db2.gz ZMZCXLVFKHGROR-SFHVURJKSA-N 1 1 378.480 3.234 50 0 GGAAMO CCCn1ncc(CN2CC[N@@H+](CCCc3ccccc3)[C@@H](CCO)C2)c1C ZINC000023360687 1399552960 /nfs/dbraw/zinc/55/29/60/1399552960.db2.gz CRTNSWILELHMDV-QHCPKHFHSA-N 1 1 384.568 3.103 50 0 GGAAMO O=c1cc(-c2ccccc2Cl)nc(-c2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)[nH]1 ZINC000048428235 1405188226 /nfs/dbraw/zinc/18/82/26/1405188226.db2.gz HPAKIRYKCCUNCW-INIZCTEOSA-N 1 1 381.863 3.324 50 0 GGAAMO O=C(NCC[NH+]1CCN(c2ccccc2)CC1)c1ccccc1C(F)(F)F ZINC000056997113 1407494743 /nfs/dbraw/zinc/49/47/43/1407494743.db2.gz YZMUWSACYHPMFT-UHFFFAOYSA-N 1 1 377.410 3.257 50 0 GGAAMO Cc1ccc2c(c1)[C@@]1(C(=O)N2)[C@@H](C(=O)Nc2ccc(F)cc2)C[C@@H]2CCC[N@H+]21 ZINC000057121070 1407524769 /nfs/dbraw/zinc/52/47/69/1407524769.db2.gz HMWRHXHEXYTHQM-CECAUBDESA-N 1 1 379.435 3.405 50 0 GGAAMO CCOC(=O)C1=C(C[NH+]2CCCCCC2)NC(=O)N[C@H]1c1ccc(CC)cc1 ZINC000067286554 1409064543 /nfs/dbraw/zinc/06/45/43/1409064543.db2.gz XSPQMMLPWBGKCO-FQEVSTJZSA-N 1 1 385.508 3.296 50 0 GGAAMO CCOC(=O)C1=C(C[NH+]2CCCCCC2)NC(=O)N[C@@H]1c1ccc(CC)cc1 ZINC000067286550 1409064631 /nfs/dbraw/zinc/06/46/31/1409064631.db2.gz XSPQMMLPWBGKCO-HXUWFJFHSA-N 1 1 385.508 3.296 50 0 GGAAMO CCC[N@H+]1CCc2nc(SCC(=O)Nc3cccc(Cl)c3)[nH]c(=O)c2C1 ZINC000067291756 1409065767 /nfs/dbraw/zinc/06/57/67/1409065767.db2.gz ULNDSVIXXYZNAI-UHFFFAOYSA-N 1 1 392.912 3.335 50 0 GGAAMO Cc1ncc(CO)c(C[N@H+]2CCC[C@@H](c3n[nH]cc3Cc3ccccc3)C2)c1O ZINC000067654775 1409199035 /nfs/dbraw/zinc/19/90/35/1409199035.db2.gz WMHJXQVJEINAOP-GOSISDBHSA-N 1 1 392.503 3.281 50 0 GGAAMO O=C(CCCN1CCCC1=O)N1CC[C@@]2(C1)CCC[N@@H+](CC1CCCCC1)C2 ZINC000067872839 1409247302 /nfs/dbraw/zinc/24/73/02/1409247302.db2.gz TWBABAXMUPTBIZ-QHCPKHFHSA-N 1 1 389.584 3.284 50 0 GGAAMO Cc1ccc(-c2n[nH]cc2C[N@@H+](Cc2ccccn2)C[C@@H]2CCC(=O)N2)cc1C ZINC000071928217 1409830909 /nfs/dbraw/zinc/83/09/09/1409830909.db2.gz IHTTYCVUGPKLCN-NRFANRHFSA-N 1 1 389.503 3.369 50 0 GGAAMO Cc1ccc(-c2n[nH]cc2C[N@H+](Cc2ccccn2)C[C@@H]2CCC(=O)N2)cc1C ZINC000071928217 1409830912 /nfs/dbraw/zinc/83/09/12/1409830912.db2.gz IHTTYCVUGPKLCN-NRFANRHFSA-N 1 1 389.503 3.369 50 0 GGAAMO COCCn1cc(CC(=O)NC[C@@H]2CCC[N@H+]3CCCC[C@H]23)c2ccccc21 ZINC000079190504 1409962114 /nfs/dbraw/zinc/96/21/14/1409962114.db2.gz UXSANNAFYIKTLF-GHTZIAJQSA-N 1 1 383.536 3.211 50 0 biogenic GGAAMO CN(CCC[N@H+](C)Cc1nc2ccccc2n1C)Cc1nc2ccccc2n1C ZINC000177205661 1428631378 /nfs/dbraw/zinc/63/13/78/1428631378.db2.gz WHCJMELGHMSDRR-UHFFFAOYSA-N 1 1 390.535 3.414 50 0 GGAAMO CN(CCC[N@@H+](C)Cc1nc2ccccc2n1C)Cc1nc2ccccc2n1C ZINC000177205661 1428631384 /nfs/dbraw/zinc/63/13/84/1428631384.db2.gz WHCJMELGHMSDRR-UHFFFAOYSA-N 1 1 390.535 3.414 50 0 GGAAMO Cc1cc(C)n(Cc2ccc(C(=O)NCCCNc3ccc(C)c[nH+]3)cc2)n1 ZINC000172400737 1426027261 /nfs/dbraw/zinc/02/72/61/1426027261.db2.gz FOUGLHZVSODRCJ-UHFFFAOYSA-N 1 1 377.492 3.484 50 0 GGAAMO O=C(c1ccc2nsnc2c1)N1CCC([N@H+]2CCc3sccc3C2)CC1 ZINC000225688698 1433367665 /nfs/dbraw/zinc/36/76/65/1433367665.db2.gz NTLZQPZQJPGMSJ-UHFFFAOYSA-N 1 1 384.530 3.416 50 0 GGAAMO O=C(c1cc(-c2ccco2)n[nH]1)N1CCC([N@H+]2CCc3sccc3C2)CC1 ZINC000225689522 1433367728 /nfs/dbraw/zinc/36/77/28/1433367728.db2.gz LFWXTYNYDLQIGR-UHFFFAOYSA-N 1 1 382.489 3.394 50 0 GGAAMO O=S(=O)(c1ccc(F)c(Cl)c1)N1CC[C@H]([N@@H+]2CCc3ccccc3C2)C1 ZINC000225688215 1433367800 /nfs/dbraw/zinc/36/78/00/1433367800.db2.gz PNLOWTMCFXCZMV-INIZCTEOSA-N 1 1 394.899 3.300 50 0 GGAAMO O=S(=O)(c1ccc(F)c(Cl)c1)N1CC[C@H]([N@H+]2CCc3ccccc3C2)C1 ZINC000225688215 1433367801 /nfs/dbraw/zinc/36/78/01/1433367801.db2.gz PNLOWTMCFXCZMV-INIZCTEOSA-N 1 1 394.899 3.300 50 0 GGAAMO O=C(NC[C@@H]1CCC[N@H+]2CCCC[C@@H]12)[C@@H]1CC(=O)N(c2cccc(Cl)c2)C1 ZINC000226848242 1433368952 /nfs/dbraw/zinc/36/89/52/1433368952.db2.gz ZYZUPOYQAQQFRW-FCEWJHQRSA-N 1 1 389.927 3.074 50 0 biogenic GGAAMO O=C([C@H]1CC[C@H](O)CC1)N1CCC([C@H]2CC[N@@H+](CCc3ccccc3)C2)CC1 ZINC000244742044 1433453500 /nfs/dbraw/zinc/45/35/00/1433453500.db2.gz OBAUUKNVHVFOCX-VABKMULXSA-N 1 1 384.564 3.341 50 0 GGAAMO Cc1nc(N(C)C)ncc1C(=O)NC[C@H](c1ccc(Cl)cc1)[NH+]1CCCC1 ZINC000019552761 210260790 /nfs/dbraw/zinc/26/07/90/210260790.db2.gz HODYDJXOXXGQGB-GOSISDBHSA-N 1 1 387.915 3.071 50 0 GGAAMO CCOC(=O)c1cnc2c(Cl)cccc2c1NCCC[NH+]1CCOCC1 ZINC000019530843 210259915 /nfs/dbraw/zinc/25/99/15/210259915.db2.gz UGMMNVBAXMOJEU-UHFFFAOYSA-N 1 1 377.872 3.199 50 0 GGAAMO O=C1C[C@@H]([NH2+]Cc2ccc3c(c2)OCO3)C(=O)N1c1cc(Cl)cc(Cl)c1 ZINC000019345831 210244514 /nfs/dbraw/zinc/24/45/14/210244514.db2.gz UXHAXOCQVKKJLJ-CQSZACIVSA-N 1 1 393.226 3.144 50 0 GGAAMO Cc1ccc2[nH]c(CN(C)C(=O)NC[C@H]3Cc4ccccc4C[N@H+]3C)nc2c1 ZINC000426424417 231219682 /nfs/dbraw/zinc/21/96/82/231219682.db2.gz WLHGIKPPYZFIDS-GOSISDBHSA-N 1 1 377.492 3.069 50 0 GGAAMO Cc1ccc2nc(CN(C)C(=O)NC[C@H]3Cc4ccccc4C[N@@H+]3C)[nH]c2c1 ZINC000426424417 231219687 /nfs/dbraw/zinc/21/96/87/231219687.db2.gz 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/nfs/dbraw/zinc/13/65/11/210136511.db2.gz HFPLCSQVYPXDEF-LJQANCHMSA-N 1 1 382.504 3.411 50 0 GGAAMO CN(C(=O)c1ccc2c(c1)OCCO2)[C@@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC000014970676 210135973 /nfs/dbraw/zinc/13/59/73/210135973.db2.gz ZTDHTQQHXMATJY-HXUWFJFHSA-N 1 1 380.488 3.237 50 0 GGAAMO Cc1nnsc1C(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1cccc(F)c1F)C2 ZINC000014972991 210135925 /nfs/dbraw/zinc/13/59/25/210135925.db2.gz FKJHVIFNUJXQQJ-IBGZPJMESA-N 1 1 392.475 3.253 50 0 GGAAMO Cc1nnsc1C(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1cccc(F)c1F)C2 ZINC000014972991 210135927 /nfs/dbraw/zinc/13/59/27/210135927.db2.gz FKJHVIFNUJXQQJ-IBGZPJMESA-N 1 1 392.475 3.253 50 0 GGAAMO CCC(CC)C[N@@H+]1CCc2nnc([C@H](C)NC(=O)CCc3ccccc3)n2CC1 ZINC000014964441 210135946 /nfs/dbraw/zinc/13/59/46/210135946.db2.gz KJGZXABRJNHSAZ-SFHVURJKSA-N 1 1 397.567 3.382 50 0 GGAAMO O=C(C1CCOCC1)N1CC[C@H]2[C@H](CCC[N@H+]2Cc2cc(F)c(F)c(F)c2)C1 ZINC000014964720 210135732 /nfs/dbraw/zinc/13/57/32/210135732.db2.gz OSIFDJMYQGXLLS-APWZRJJASA-N 1 1 396.453 3.343 50 0 GGAAMO O=C(C1CCOCC1)N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2cc(F)c(F)c(F)c2)C1 ZINC000014964720 210135738 /nfs/dbraw/zinc/13/57/38/210135738.db2.gz OSIFDJMYQGXLLS-APWZRJJASA-N 1 1 396.453 3.343 50 0 GGAAMO CC(C)[N@@H+](C)Cc1ccc(C(=O)NCc2cccc(C(F)(F)F)c2)c(=O)[nH]1 ZINC000014972261 210135538 /nfs/dbraw/zinc/13/55/38/210135538.db2.gz WFJANOUADIASQB-UHFFFAOYSA-N 1 1 381.398 3.164 50 0 GGAAMO C[N@@H+](CCc1ccccc1)C1(C(=O)NCc2ccon2)Cc2ccccc2C1 ZINC000014960741 210134402 /nfs/dbraw/zinc/13/44/02/210134402.db2.gz HAQIZYOCQBDEDH-UHFFFAOYSA-N 1 1 375.472 3.003 50 0 GGAAMO O=C(c1cn(CCCc2ccccc2)nn1)N1CCC[N@H+](C2CCCC2)CC1 ZINC000014960018 210133487 /nfs/dbraw/zinc/13/34/87/210133487.db2.gz ARDNHSJTPVZVLZ-UHFFFAOYSA-N 1 1 381.524 3.001 50 0 GGAAMO COc1ccc(CN2CCc3ccccc3C2)cc1OC[C@H](O)C[N@H+](C)C(C)C ZINC000014948027 210132215 /nfs/dbraw/zinc/13/22/15/210132215.db2.gz YVPWTPUYGUCKGW-JOCHJYFZSA-N 1 1 398.547 3.333 50 0 GGAAMO COc1ccc(CN2CCc3ccccc3C2)cc1OC[C@H](O)C[N@@H+](C)C(C)C ZINC000014948027 210132220 /nfs/dbraw/zinc/13/22/20/210132220.db2.gz YVPWTPUYGUCKGW-JOCHJYFZSA-N 1 1 398.547 3.333 50 0 GGAAMO Cc1cc(C(=O)N2CC[C@@]3(C2)CCC[N@@H+](Cc2ccc(F)c(F)c2)C3)n(C)n1 ZINC000014952865 210131521 /nfs/dbraw/zinc/13/15/21/210131521.db2.gz XBLWFDCOSHLLJE-NRFANRHFSA-N 1 1 388.462 3.135 50 0 GGAAMO C/C=C(\C)C[N@@H+]1CCc2nnc([C@@H](CC(C)C)NC(=O)c3cccnc3)n2CC1 ZINC000014881435 210129347 /nfs/dbraw/zinc/12/93/47/210129347.db2.gz XIVJTDGUMCLSBE-QPUGPGLDSA-N 1 1 396.539 3.015 50 0 GGAAMO CCC[N@@H+](CC1CC1)[C@@H]1CCc2c(c(C(=O)NCc3cccs3)nn2C)C1 ZINC000014745948 210126471 /nfs/dbraw/zinc/12/64/71/210126471.db2.gz FARWLUOPTGZMGV-MRXNPFEDSA-N 1 1 386.565 3.391 50 0 GGAAMO CC(C)Cn1nc(C(=O)N(C)C)c2c1CC[C@@H]([N@@H+](C)CCc1ccccc1)C2 ZINC000014744047 210124698 /nfs/dbraw/zinc/12/46/98/210124698.db2.gz DDMBFQHRFCVUHI-LJQANCHMSA-N 1 1 382.552 3.273 50 0 GGAAMO COc1cc(CO[C@H]2CN(C(C)C)C(=O)C[N@H+](C3CCCC3)C2)cc(OC)c1 ZINC000014538724 210118963 /nfs/dbraw/zinc/11/89/63/210118963.db2.gz YZXVIMWZSQEGMO-OAQYLSRUSA-N 1 1 390.524 3.084 50 0 GGAAMO CC[N@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1cc2oc3ccccc3c2cc1OC ZINC000013628997 210074773 /nfs/dbraw/zinc/07/47/73/210074773.db2.gz JJCHQAPLCJPYDR-AWEZNQCLSA-N 1 1 395.459 3.134 50 0 GGAAMO Cc1sc2nc(N3CC[NH+](Cc4ccccc4F)CC3)n3ncnc3c2c1C ZINC000013626803 210071935 /nfs/dbraw/zinc/07/19/35/210071935.db2.gz RKMLJLPJEMXZJE-UHFFFAOYSA-N 1 1 396.495 3.417 50 0 GGAAMO Cc1nn(C)cc1[C@@H]1C[C@H]2CN(Cc3cccc(Cl)c3)C(=O)[C@]23CCC[N@@H+]13 ZINC000013594603 210071002 /nfs/dbraw/zinc/07/10/02/210071002.db2.gz MVTBIIMETJCNFH-LRQRDZAKSA-N 1 1 384.911 3.320 50 0 GGAAMO O=C1C[C@@H]([N@H+]2CCCC[C@H]2CCO)C(=O)N1c1ccc(Oc2ccccc2)cc1 ZINC000013593608 210070206 /nfs/dbraw/zinc/07/02/06/210070206.db2.gz GXSPUGSBLXUWIE-LAUBAEHRSA-N 1 1 394.471 3.348 50 0 GGAAMO O=C1C[C@@H]([N@@H+]2CCCC[C@H]2CCO)C(=O)N1c1ccc(Oc2ccccc2)cc1 ZINC000013593608 210070208 /nfs/dbraw/zinc/07/02/08/210070208.db2.gz GXSPUGSBLXUWIE-LAUBAEHRSA-N 1 1 394.471 3.348 50 0 GGAAMO COc1cccc(C[N@H+]2CCC[C@H](CNC(=O)c3ccc(F)cc3)C2)c1OC ZINC000013594522 210070047 /nfs/dbraw/zinc/07/00/47/210070047.db2.gz ZHZTVLFLFPJEME-MRXNPFEDSA-N 1 1 386.467 3.485 50 0 GGAAMO CN(CC1CC[NH+](CCc2ccc(F)cc2)CC1)C(=O)[C@@H]1CCCCN1C ZINC000012836609 210016130 /nfs/dbraw/zinc/01/61/30/210016130.db2.gz WEPQMVHOJBQJQP-NRFANRHFSA-N 1 1 375.532 3.023 50 0 GGAAMO COC(=O)c1cccc(C(=O)N[C@@H]2CCC[N@@H+](CCCc3ccccc3)C2)c1 ZINC000012756105 210003676 /nfs/dbraw/zinc/00/36/76/210003676.db2.gz YBGRPHQBLXLHDN-OAQYLSRUSA-N 1 1 380.488 3.300 50 0 GGAAMO O=C(Nc1cccc(-n2cccn2)c1)[C@H]1CCC[N@H+]1C1CSCCSC1 ZINC000012756541 210003785 /nfs/dbraw/zinc/00/37/85/210003785.db2.gz WVFQREVGQLWKNB-GOSISDBHSA-N 1 1 388.562 3.124 50 0 GGAAMO CC(=O)c1ccc(OCC(=O)N2CCC[C@@H]([N@@H+](C)CCc3ccccc3)C2)cc1 ZINC000012761998 210002727 /nfs/dbraw/zinc/00/27/27/210002727.db2.gz GKACJCHHYVWVIM-JOCHJYFZSA-N 1 1 394.515 3.434 50 0 GGAAMO CN(C[C@@H]1CCC[N@@H+](CCc2ccc(Cl)cc2)C1)C(=O)CCc1cn[nH]c1 ZINC000012746291 209999412 /nfs/dbraw/zinc/99/94/12/209999412.db2.gz GQTLOGNNMYRAAJ-IBGZPJMESA-N 1 1 388.943 3.409 50 0 GGAAMO Cc1ccccc1CC[N@@H+]1CCC[C@H](CN(C)C(=O)c2cc3ncccn3n2)C1 ZINC000012710856 209994649 /nfs/dbraw/zinc/99/46/49/209994649.db2.gz LXKQJJIFYAUYQP-LJQANCHMSA-N 1 1 391.519 3.064 50 0 GGAAMO C[N@H+]1CCC[C@@H](COc2cccc(CN(C(=O)c3cnsn3)C3CC3)c2)C1 ZINC000012282841 209928818 /nfs/dbraw/zinc/92/88/18/209928818.db2.gz HAFARXLVASVHDE-MRXNPFEDSA-N 1 1 386.521 3.064 50 0 GGAAMO CCOC(=O)N1CCC([N@@H+]2CCOc3c(O)cc(-c4ccccn4)cc3C2)CC1 ZINC000011912505 209892226 /nfs/dbraw/zinc/89/22/26/209892226.db2.gz MYHKXOCHDBNWIO-UHFFFAOYSA-N 1 1 397.475 3.270 50 0 GGAAMO CCOC(=O)N1CCC([N@H+]2CCOc3c(O)cc(-c4ccccn4)cc3C2)CC1 ZINC000011912505 209892229 /nfs/dbraw/zinc/89/22/29/209892229.db2.gz MYHKXOCHDBNWIO-UHFFFAOYSA-N 1 1 397.475 3.270 50 0 GGAAMO Cc1cc(C)n(-c2cc(NCCNC(=O)Nc3cccc(Cl)c3)[nH+]c(C)n2)n1 ZINC000036705492 209847987 /nfs/dbraw/zinc/84/79/87/209847987.db2.gz PHDFVSZXASBQNW-UHFFFAOYSA-N 1 1 399.886 3.475 50 0 GGAAMO CCOc1ccc(-c2cc(C(=O)NN3CC[NH+](C)CC3)c3ccccc3n2)cc1 ZINC000002741800 209380879 /nfs/dbraw/zinc/38/08/79/209380879.db2.gz VDMASWXUKAMAHK-UHFFFAOYSA-N 1 1 390.487 3.193 50 0 GGAAMO Cc1nc2sc3c(ncnc3N3CC[NH+](C)CC3)c2c2c1COC(C)(C)C2 ZINC000002426423 209364010 /nfs/dbraw/zinc/36/40/10/209364010.db2.gz CIQWWZQLMQTUAK-UHFFFAOYSA-N 1 1 383.521 3.151 50 0 GGAAMO COC(=O)c1[nH]c2cc(OC)ccc2c1NC(=O)CC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000002444801 209363453 /nfs/dbraw/zinc/36/34/53/209363453.db2.gz XTUNKDLDEWYXCI-OKILXGFUSA-N 1 1 387.480 3.270 50 0 GGAAMO CC(=O)Nc1ccc2c(c1)nc1n2CCN(C[C@@H]2CCC[N@H+]3CCCC[C@H]23)C1 ZINC000035107846 209363037 /nfs/dbraw/zinc/36/30/37/209363037.db2.gz RKBQDLCMQFHCOX-FXAWDEMLSA-N 1 1 381.524 3.075 50 0 biogenic GGAAMO CC[NH+]1CCN(c2ncnc3c4cc5c(nc4sc32)CC(C)(C)OC5)CC1 ZINC000002415652 209362566 /nfs/dbraw/zinc/36/25/66/209362566.db2.gz DHOHJSQJDAMDJT-UHFFFAOYSA-N 1 1 383.521 3.233 50 0 GGAAMO CCOC(=O)c1[nH]c2ccc(F)cc2c1NC(=O)C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000002309532 209356263 /nfs/dbraw/zinc/35/62/63/209356263.db2.gz SGSYFSNGQKULKE-BETUJISGSA-N 1 1 375.444 3.400 50 0 GGAAMO CCOc1ccc([C@@H]2C3=C([NH+]=C4N=CNN42)c2cc(C)ccc2OC3)cc1OC ZINC000002201851 209350066 /nfs/dbraw/zinc/35/00/66/209350066.db2.gz BHEXZMLKNRUAEH-OAQYLSRUSA-N 1 1 390.443 3.465 50 0 GGAAMO O=C(c1cnn2c1nc(-c1ccccc1)cc2C(F)F)N1CC[N@H+]2CCC[C@H]2C1 ZINC000001071496 209296925 /nfs/dbraw/zinc/29/69/25/209296925.db2.gz CKIWXLCALMDKEA-HNNXBMFYSA-N 1 1 397.429 3.254 50 0 GGAAMO CCOc1ccccc1CNc1nc2ccccc2n1CC[NH+]1CCOCC1 ZINC000000809676 209267922 /nfs/dbraw/zinc/26/79/22/209267922.db2.gz DEYUNZCWKQXVLK-UHFFFAOYSA-N 1 1 380.492 3.379 50 0 GGAAMO O[C@@H](C[NH+]1CCN(Cc2ccccc2)CC1)c1ccc(Br)cc1 ZINC000019801790 209234346 /nfs/dbraw/zinc/23/43/46/209234346.db2.gz GWEAYNAKNNEYOS-IBGZPJMESA-N 1 1 375.310 3.300 50 0 GGAAMO O=C(CC1(n2cccc2)CCCCC1)N1CC[NH+](CCc2ccncc2)CC1 ZINC000263588143 209224109 /nfs/dbraw/zinc/22/41/09/209224109.db2.gz POZFWFPOJHKZLY-UHFFFAOYSA-N 1 1 380.536 3.320 50 0 GGAAMO O=C(c1n[nH]c2c1CCCC2)N1CCCC2=C[C@H]3C[C@H](C[N@H+]4CCCC[C@@H]34)[C@@H]21 ZINC000257198553 209223721 /nfs/dbraw/zinc/22/37/21/209223721.db2.gz CGANOTBXBPNKDF-KAULMNLWSA-N 1 1 380.536 3.324 50 0 GGAAMO CC(=O)Nc1cccc2c1ccn2CC(=O)N(C)C[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000253413956 209218930 /nfs/dbraw/zinc/21/89/30/209218930.db2.gz WCFJJGVFFMTTAN-GHTZIAJQSA-N 1 1 396.535 3.323 50 0 biogenic GGAAMO Cc1[nH]nc(-c2ccc(F)cc2)c1CC(=O)NC[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000253394330 209216720 /nfs/dbraw/zinc/21/67/20/209216720.db2.gz ABVXSWSZNVSTLG-FXAWDEMLSA-N 1 1 384.499 3.447 50 0 biogenic GGAAMO CC[C@H]1[C@@H]2OC(=O)[C@@H](C)[C@H]2[C@H]2C[C@@H]([C@@H]3C[C@H](C)C(=O)O3)[N@H+]3CCCC[C@@H]1[C@@H]23 ZINC000245204767 209215677 /nfs/dbraw/zinc/21/56/77/209215677.db2.gz GYOGHROCTSEKDY-QGFPVIAKSA-N 1 1 375.509 3.015 50 0 biogenic GGAAMO CC[C@H]1[C@@H]2OC(=O)[C@@H](C)[C@H]2[C@H]2C[C@@H]([C@@H]3C[C@H](C)C(=O)O3)[N@H+]3CCCC[C@@H]1[C@H]23 ZINC000245204765 209214634 /nfs/dbraw/zinc/21/46/34/209214634.db2.gz GYOGHROCTSEKDY-CXZFIUSZSA-N 1 1 375.509 3.015 50 0 biogenic GGAAMO O=c1cc(C[NH+]2CCN(c3cccc(Cl)c3)CC2)c2cc3c(cc2o1)OCO3 ZINC000054220033 209213857 /nfs/dbraw/zinc/21/38/57/209213857.db2.gz LCCMSZFWSLUMSQ-UHFFFAOYSA-N 1 1 398.846 3.497 50 0 biogenic GGAAMO CCc1ccc(NC(=O)[C@H](NC(=O)[C@H]2Cc3ccccc3C[NH2+]2)[C@@H](C)CC)cc1 ZINC000229691324 209186694 /nfs/dbraw/zinc/18/66/94/209186694.db2.gz SEICFKQJPDFDPF-KNXBSLHKSA-N 1 1 393.531 3.433 50 0 GGAAMO CCCCOC(=O)c1ccc(N2C(=O)C[C@@H]([N@@H+]3C[C@@H]4CCCC[C@@H]4C3)C2=O)cc1 ZINC000100237938 212066347 /nfs/dbraw/zinc/06/63/47/212066347.db2.gz LREAQPNCHAYYIL-WSTZPKSXSA-N 1 1 398.503 3.397 50 0 GGAAMO O[C@@H](Cn1ccc(-c2ccc(C[N@H+]3CCC[C@@H](O)C3)s2)n1)c1ccccc1 ZINC000082039603 212060183 /nfs/dbraw/zinc/06/01/83/212060183.db2.gz XEFJRKMMYYJSPW-XLIONFOSSA-N 1 1 383.517 3.302 50 0 GGAAMO O=c1[nH]c2ccccc2n1CC[NH+]1CCN(c2ccc(C(F)(F)F)cc2)CC1 ZINC000052580607 212057884 /nfs/dbraw/zinc/05/78/84/212057884.db2.gz CCIZQGRSEAHATK-UHFFFAOYSA-N 1 1 390.409 3.171 50 0 in-vitro GGAAMO CCCC[N@H+]1CCn2nc(CNC(=O)c3cc4cccc(C)c4n3C)cc2C1 ZINC000299782478 212037473 /nfs/dbraw/zinc/03/74/73/212037473.db2.gz MPDRCMSTUJLSQQ-UHFFFAOYSA-N 1 1 379.508 3.229 50 0 GGAAMO CCc1c(C(=O)NC[C@H]2CCC[N@@H+]2CC)c(=O)cc(C)n1Cc1cccs1 ZINC000299797600 212039601 /nfs/dbraw/zinc/03/96/01/212039601.db2.gz RVYJJRHTHUINMI-MRXNPFEDSA-N 1 1 387.549 3.043 50 0 GGAAMO COc1ccc(Oc2ccc(C(=O)N[C@H]3C[N@@H+](C(C)C)C[C@@H]3OC)cc2)cc1 ZINC000299786130 212037075 /nfs/dbraw/zinc/03/70/75/212037075.db2.gz RHYORDVRBWHSCA-SFTDATJTSA-N 1 1 384.476 3.325 50 0 GGAAMO O=C(c1cccc(-c2ccc(F)cc2)c1)N1CC[N@@H+](CC2CC2)[C@@H](CCO)C1 ZINC000299786383 212036287 /nfs/dbraw/zinc/03/62/87/212036287.db2.gz XADNEGCQEZFJGK-QFIPXVFZSA-N 1 1 382.479 3.412 50 0 GGAAMO O=C(c1cnc2c(c1)CCCC2)N1CCC[N@H+](C2Cc3ccccc3C2)CC1 ZINC000299783645 212036351 /nfs/dbraw/zinc/03/63/51/212036351.db2.gz XHQYTSZWYBJMRF-UHFFFAOYSA-N 1 1 375.516 3.276 50 0 GGAAMO C[C@@H](CCNC(=O)c1ccc(-c2ccc(F)cc2F)cc1)N1CC[NH+](C)CC1 ZINC000299770593 212035759 /nfs/dbraw/zinc/03/57/59/212035759.db2.gz SWVUDDFDVOVBFF-INIZCTEOSA-N 1 1 387.474 3.388 50 0 GGAAMO Cc1cc(C(=O)N(Cc2cccc(OCC[C@H]3CCC[N@H+]3C)c2)C2CC2)n(C)n1 ZINC000299769975 212035793 /nfs/dbraw/zinc/03/57/93/212035793.db2.gz YNAFUDWUGKARSI-LJQANCHMSA-N 1 1 396.535 3.396 50 0 GGAAMO NC(=O)[C@@H]1CCC[N@H+](Cc2nc3ccccc3c(NCc3cccs3)n2)C1 ZINC000299755249 212031189 /nfs/dbraw/zinc/03/11/89/212031189.db2.gz CDTMATUMECPNEO-CQSZACIVSA-N 1 1 381.505 3.001 50 0 GGAAMO NC(=O)[C@@H]1CCC[N@@H+](Cc2nc3ccccc3c(NCc3cccs3)n2)C1 ZINC000299755249 212031194 /nfs/dbraw/zinc/03/11/94/212031194.db2.gz CDTMATUMECPNEO-CQSZACIVSA-N 1 1 381.505 3.001 50 0 GGAAMO O[C@H](c1cccnc1)c1ccc2c(c1)C[N@@H+](Cc1ccc3c(c1)CCO3)CCO2 ZINC000299760336 212032685 /nfs/dbraw/zinc/03/26/85/212032685.db2.gz FPMXKAHYMRDSAQ-DEOSSOPVSA-N 1 1 388.467 3.493 50 0 GGAAMO O[C@H](c1cccnc1)c1ccc2c(c1)C[N@H+](Cc1ccc3c(c1)CCO3)CCO2 ZINC000299760336 212032689 /nfs/dbraw/zinc/03/26/89/212032689.db2.gz FPMXKAHYMRDSAQ-DEOSSOPVSA-N 1 1 388.467 3.493 50 0 GGAAMO O=C(NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)Nc1ccc2c(c1)COC2=O ZINC000299759135 212031734 /nfs/dbraw/zinc/03/17/34/212031734.db2.gz OVKYERJVHKDFSE-KRWDZBQOSA-N 1 1 379.460 3.391 50 0 GGAAMO Cc1cc(C)n(CC(C)C)c(=O)c1C(=O)N(C)C[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000334161047 209177484 /nfs/dbraw/zinc/17/74/84/209177484.db2.gz RRPSXJLTWPAJPX-PMACEKPBSA-N 1 1 387.568 3.458 50 0 GGAAMO CC1=CC(C)(C)N(C(=O)C[NH+]2CCC(C(N)=O)CC2)c2cc3c(cc21)OCO3 ZINC000334160385 209177193 /nfs/dbraw/zinc/17/71/93/209177193.db2.gz CLFDAHNABZRYNU-UHFFFAOYSA-N 1 1 385.464 3.191 50 0 GGAAMO C[N@@H+](Cc1ccccc1)C1(CNC(=O)CCn2cccn2)Cc2ccccc2C1 ZINC000023340607 209174810 /nfs/dbraw/zinc/17/48/10/209174810.db2.gz PDNFLQWHWJLEKU-UHFFFAOYSA-N 1 1 388.515 3.059 50 0 GGAAMO O=C(C[C@@H](c1ccccc1)n1cccc1)N1CC[NH+](CCc2ccncc2)CC1 ZINC000253412162 211989788 /nfs/dbraw/zinc/98/97/88/211989788.db2.gz QBFFJHPMYWXODA-QHCPKHFHSA-N 1 1 388.515 3.250 50 0 GGAAMO C[C@H](NC(=S)Nc1ccc(F)cc1)[C@@H](c1ccccc1)[NH+]1CCN(C)CC1 ZINC000022031362 211750209 /nfs/dbraw/zinc/75/02/09/211750209.db2.gz FPRPXNFJLALCJU-JXFKEZNVSA-N 1 1 386.540 3.489 50 0 GGAAMO C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1ccc(C(F)(F)F)cc1)c1ccsc1 ZINC000008863668 211599492 /nfs/dbraw/zinc/59/94/92/211599492.db2.gz OUYOVCVOIJLCKF-AWEZNQCLSA-N 1 1 385.411 3.125 50 0 GGAAMO CC(=O)[C@@H]1[C@@H]2C(=O)N(c3ccc(C)c(C)c3)C(=O)[C@H]2[C@@H]2c3ccccc3C=C[N@@H+]21 ZINC000101361527 211399090 /nfs/dbraw/zinc/39/90/90/211399090.db2.gz KNTFZHAJXHACOQ-YSFYHYPLSA-N 1 1 386.451 3.408 50 0 GGAAMO CC(=O)[C@@H]1[C@@H]2C(=O)N(c3ccc(C)c(C)c3)C(=O)[C@H]2[C@@H]2c3ccccc3C=C[N@H+]21 ZINC000101361527 211399097 /nfs/dbraw/zinc/39/90/97/211399097.db2.gz KNTFZHAJXHACOQ-YSFYHYPLSA-N 1 1 386.451 3.408 50 0 GGAAMO COc1cccc(NC2CC[NH+]([C@@H]3CC(=O)N(c4ccc(F)cc4)C3=O)CC2)c1 ZINC000100209961 211383964 /nfs/dbraw/zinc/38/39/64/211383964.db2.gz JOHLXPNVCDIAOK-HXUWFJFHSA-N 1 1 397.450 3.043 50 0 GGAAMO Cc1ccc(N2C(=O)C[C@H](N3CC[NH+](Cc4ccccc4)CC3)C2=O)c(Cl)c1 ZINC000100119033 211382550 /nfs/dbraw/zinc/38/25/50/211382550.db2.gz FIQPYDWMZCUIIW-FQEVSTJZSA-N 1 1 397.906 3.098 50 0 GGAAMO O=C(NC1CC[NH+](Cc2ccccc2F)CC1)c1ccccc1-c1nnc[nH]1 ZINC000097137763 211361002 /nfs/dbraw/zinc/36/10/02/211361002.db2.gz ZPEZITGNVVDIDQ-UHFFFAOYSA-N 1 1 379.439 3.005 50 0 GGAAMO Cc1nc(-c2cccnc2)ncc1C(=O)NCC[N@H+]1CC[C@@H](c2ccccc2)C1 ZINC000097730207 211371365 /nfs/dbraw/zinc/37/13/65/211371365.db2.gz YOXDTLMTZSQWMG-HXUWFJFHSA-N 1 1 387.487 3.066 50 0 GGAAMO Cn1c(CO)nnc1[C@H]1CCC[N@@H+](CC(c2ccccc2)c2ccccc2)C1 ZINC000097773252 211371065 /nfs/dbraw/zinc/37/10/65/211371065.db2.gz XQNINRFFLSSRIY-FQEVSTJZSA-N 1 1 376.504 3.319 50 0 GGAAMO CNC(=O)CCc1ccccc1NC(=O)N1CCC[N@H+](C2CCCCC2)CC1 ZINC000097729522 211370178 /nfs/dbraw/zinc/37/01/78/211370178.db2.gz PEKWEOCPRLHSDA-UHFFFAOYSA-N 1 1 386.540 3.238 50 0 GGAAMO CC(=O)Nc1cc(NC(=O)NCC[N@H+]2CC[C@@H](c3ccccc3)C2)ccc1F ZINC000097635088 211369012 /nfs/dbraw/zinc/36/90/12/211369012.db2.gz KUPDIHPJQCJUHZ-QGZVFWFLSA-N 1 1 384.455 3.395 50 0 GGAAMO COc1cc(C(=O)NCC[N@H+]2CC[C@@H](c3ccccc3)C2)c2ccccc2n1 ZINC000097394065 211365274 /nfs/dbraw/zinc/36/52/74/211365274.db2.gz PQLRPUMYVBASLT-GOSISDBHSA-N 1 1 375.472 3.463 50 0 GGAAMO Cc1cc(C)c(NC(=O)N2CCC[C@H](CN3CC[NH+](C)CC3)C2)c(Cl)c1 ZINC000097394493 211364022 /nfs/dbraw/zinc/36/40/22/211364022.db2.gz PWYXAEYQDXJRFR-QGZVFWFLSA-N 1 1 378.948 3.448 50 0 GGAAMO CCc1nc2cc(NC(=O)N[C@H]3CCC[N@H+](Cc4cccnc4)C3)ccc2[nH]1 ZINC000097288898 211362345 /nfs/dbraw/zinc/36/23/45/211362345.db2.gz BAMSECGSHNVLQT-KRWDZBQOSA-N 1 1 378.480 3.306 50 0 GGAAMO CCc1nc2cc(NC(=O)N[C@H]3CCC[N@@H+](Cc4cccnc4)C3)ccc2[nH]1 ZINC000097288898 211362349 /nfs/dbraw/zinc/36/23/49/211362349.db2.gz BAMSECGSHNVLQT-KRWDZBQOSA-N 1 1 378.480 3.306 50 0 GGAAMO C[C@H](C[N@H+]1CCc2ccccc2C1)NC(=O)c1cc(-c2ccccc2F)n[nH]1 ZINC000097294582 211362307 /nfs/dbraw/zinc/36/23/07/211362307.db2.gz WWXWBZUGEDBZHW-OAHLLOKOSA-N 1 1 378.451 3.392 50 0 GGAAMO Cc1cccn2c(CC(=O)NCC[N@H+]3CCC[C@H](c4ccccc4)C3)cnc12 ZINC000097288772 211361979 /nfs/dbraw/zinc/36/19/79/211361979.db2.gz YVIMFLKOHWMNOJ-FQEVSTJZSA-N 1 1 376.504 3.181 50 0 GGAAMO OCC[C@H]1CN(Cc2cnn(-c3cccc(F)c3)c2)CC[N@H+]1Cc1ccccc1 ZINC000096838928 211348027 /nfs/dbraw/zinc/34/80/27/211348027.db2.gz UWCGTXORFOLUAH-QHCPKHFHSA-N 1 1 394.494 3.080 50 0 GGAAMO CN1CCC[N@@H+](C)CC12CCN(C(=O)Nc1cc(F)cc(F)c1Cl)CC2 ZINC000097137157 211358065 /nfs/dbraw/zinc/35/80/65/211358065.db2.gz WIXHRPBOMALCTL-UHFFFAOYSA-N 1 1 386.874 3.252 50 0 GGAAMO CN1CCC[N@H+](C)C2(CCN(C(=O)Nc3cc(F)cc(F)c3Cl)CC2)C1 ZINC000097137157 211358067 /nfs/dbraw/zinc/35/80/67/211358067.db2.gz WIXHRPBOMALCTL-UHFFFAOYSA-N 1 1 386.874 3.252 50 0 GGAAMO CN1CCC[N@@H+](C)C2(CCN(C(=O)Nc3cc(F)cc(F)c3Cl)CC2)C1 ZINC000097137157 211358069 /nfs/dbraw/zinc/35/80/69/211358069.db2.gz WIXHRPBOMALCTL-UHFFFAOYSA-N 1 1 386.874 3.252 50 0 GGAAMO O=c1cc(NCCCN2CC[NH+](Cc3ccccc3)CC2)c2ccccc2o1 ZINC000096316559 211333834 /nfs/dbraw/zinc/33/38/34/211333834.db2.gz ATGOQEFDYDBRHX-UHFFFAOYSA-N 1 1 377.488 3.413 50 0 GGAAMO COc1ccc(-c2n[nH]c(C)c2CC(=O)NC[C@H]2CCC[N@H+]3CCCC[C@H]23)cc1 ZINC000096343824 211336891 /nfs/dbraw/zinc/33/68/91/211336891.db2.gz MATIZKUBXGKERV-WIYYLYMNSA-N 1 1 396.535 3.317 50 0 GGAAMO O=C(Nc1cc(C(F)(F)F)ccc1F)N1CC[N@@H+](CC2CC2)[C@H](CCO)C1 ZINC000096166491 211316588 /nfs/dbraw/zinc/31/65/88/211316588.db2.gz NHWDYVVFLBENGC-CQSZACIVSA-N 1 1 389.393 3.155 50 0 GGAAMO C[N@@H+](Cc1ccccc1NC(=O)NCCc1cc(=O)[nH]cn1)C1CCCCC1 ZINC000096179583 211315837 /nfs/dbraw/zinc/31/58/37/211315837.db2.gz GWTXSEYWJGGHTK-UHFFFAOYSA-N 1 1 383.496 3.311 50 0 GGAAMO CCOC(=O)c1cc(NC(=O)N2CCC[C@]3(CC[N@@H+](C)C3)C2)ccc1Cl ZINC000096165535 211315483 /nfs/dbraw/zinc/31/54/83/211315483.db2.gz FBOBPCZCOIFEAP-LJQANCHMSA-N 1 1 379.888 3.466 50 0 GGAAMO CCc1ccc(-n2cnnc2)cc1NC(=O)NC[C@H](c1ccc(C)o1)[NH+](C)C ZINC000096151841 211311965 /nfs/dbraw/zinc/31/19/65/211311965.db2.gz GFURWKCQDNQDIG-GOSISDBHSA-N 1 1 382.468 3.156 50 0 GGAAMO C[C@H](CCNC(=O)Nc1ccccc1Cc1ccccc1)N1CC[NH+](C)CC1 ZINC000096152098 211311846 /nfs/dbraw/zinc/31/18/46/211311846.db2.gz NCZXAEDLFHJZKV-LJQANCHMSA-N 1 1 380.536 3.425 50 0 GGAAMO O=C(Nc1ccccc1SCc1ccccc1F)N1CC[NH+](CCO)CC1 ZINC000096153409 211311579 /nfs/dbraw/zinc/31/15/79/211311579.db2.gz SFRALXUQOBPIPN-UHFFFAOYSA-N 1 1 389.496 3.260 50 0 GGAAMO O=C(NCC1(C[NH+]2CCOCC2)CC1)Nc1ccc(Oc2cccnc2)cc1 ZINC000096153563 211311314 /nfs/dbraw/zinc/31/13/14/211311314.db2.gz NBXVWTOTAINXIX-UHFFFAOYSA-N 1 1 382.464 3.108 50 0 GGAAMO CCOCCOc1ccccc1NC(=O)NC[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000096131428 211303989 /nfs/dbraw/zinc/30/39/89/211303989.db2.gz PNJUVGBQVQLUOL-PKOBYXMFSA-N 1 1 375.513 3.488 50 0 GGAAMO COc1ccc(-c2cc(C(=O)NC[C@@H]3CCC[N@H+]4CCCC[C@H]34)[nH]n2)cc1OC ZINC000096115786 211302485 /nfs/dbraw/zinc/30/24/85/211302485.db2.gz RIJIGURABGYWQG-QFBILLFUSA-N 1 1 398.507 3.088 50 0 biogenic GGAAMO CCn1c(Cn2ccnc2)nnc1C1CC[NH+](Cc2ccc(F)cc2F)CC1 ZINC000096136425 211306996 /nfs/dbraw/zinc/30/69/96/211306996.db2.gz CHEDEUJKBZYULL-UHFFFAOYSA-N 1 1 386.450 3.201 50 0 GGAAMO Cc1nc(C)c(C[N@H+]2CCC[C@H](CNS(=O)(=O)c3cccs3)C2)s1 ZINC000095518996 211263821 /nfs/dbraw/zinc/26/38/21/211263821.db2.gz FLENIBIDKTZMJA-CQSZACIVSA-N 1 1 385.580 3.012 50 0 GGAAMO O=C(Nc1cccc(-c2ccc(F)cc2)c1)[C@H]1CCC[N@@H+](CCn2cnnc2)C1 ZINC000095531339 211275597 /nfs/dbraw/zinc/27/55/97/211275597.db2.gz GJNKCWXSILRSQZ-IBGZPJMESA-N 1 1 393.466 3.435 50 0 GGAAMO O=C1[C@H]2CC[C@H](C[N@@H+](CCc3c[nH]c4ccccc34)C2)N1Cc1cscn1 ZINC000095528568 211275308 /nfs/dbraw/zinc/27/53/08/211275308.db2.gz TWIBVNDVZNFLCA-FUHWJXTLSA-N 1 1 380.517 3.290 50 0 GGAAMO CC(=O)c1cccc(-c2ccc(NC(=O)NCCC[NH+]3CCOCC3)cc2)c1 ZINC000095529851 211275223 /nfs/dbraw/zinc/27/52/23/211275223.db2.gz STZVCDMBBNEGMW-UHFFFAOYSA-N 1 1 381.476 3.400 50 0 GGAAMO C[N@H+](Cc1ccccc1)C[C@H](O)COc1ccc(CN2CCOC(C)(C)C2)cc1 ZINC000095531270 211274982 /nfs/dbraw/zinc/27/49/82/211274982.db2.gz XDKDXRGTQZWGDM-QFIPXVFZSA-N 1 1 398.547 3.169 50 0 GGAAMO O=C(Nc1cccc(-c2ccc(F)cc2)c1)[C@@H]1CCC[N@@H+](CCn2cnnc2)C1 ZINC000095531338 211274867 /nfs/dbraw/zinc/27/48/67/211274867.db2.gz GJNKCWXSILRSQZ-LJQANCHMSA-N 1 1 393.466 3.435 50 0 GGAAMO CCC(=O)N1CCc2[nH]cnc2C12CC[NH+](Cc1nc3c(s1)CCCC3)CC2 ZINC000095527778 211273209 /nfs/dbraw/zinc/27/32/09/211273209.db2.gz OXOFWSXGOYCKNL-UHFFFAOYSA-N 1 1 399.564 3.031 50 0 GGAAMO CC[N@H+]1CCc2nc[nH]c2C12CCN(C(=O)c1cc(Cl)ccc1OC)CC2 ZINC000095527006 211272906 /nfs/dbraw/zinc/27/29/06/211272906.db2.gz ZGVWJNKZDFTHIL-UHFFFAOYSA-N 1 1 388.899 3.081 50 0 GGAAMO Cc1ccc(F)c(C[NH+]2CCC3(CC2)c2[nH]cnc2CCN3C(=O)C2CC2)c1 ZINC000095527319 211272647 /nfs/dbraw/zinc/27/26/47/211272647.db2.gz WXCUKUWAMZRFNZ-UHFFFAOYSA-N 1 1 382.483 3.143 50 0 GGAAMO COCCN(C)Cc1cc(Cl)ccc1OC[C@H](O)C[NH+]1CCCCCC1 ZINC000095524508 211271119 /nfs/dbraw/zinc/27/11/19/211271119.db2.gz WSQUNZUCOMBUJB-LJQANCHMSA-N 1 1 384.948 3.034 50 0 GGAAMO CCN(C[C@H]1CCC[N@@H+](CCc2cccc(OC)c2)C1)C(=O)c1nc(C)c[nH]1 ZINC000095523922 211270759 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392.459 3.112 50 0 GGAAMO O=C(c1coc(COc2cccc3cnccc32)n1)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000067872723 211027798 /nfs/dbraw/zinc/02/77/98/211027798.db2.gz SMJQSSXOMSZGBF-QGZVFWFLSA-N 1 1 392.459 3.112 50 0 GGAAMO O=C1N(CCC2CCCCC2)CCC[C@@]1(O)C[NH+]1CC(Oc2ccccc2)C1 ZINC000067880740 211027127 /nfs/dbraw/zinc/02/71/27/211027127.db2.gz JOFFUAKFWKSOTN-HSZRJFAPSA-N 1 1 386.536 3.074 50 0 GGAAMO CCn1cc(C[N@H+]2CC[C@]3(C2)CCCN(C(=O)CCc2ccccc2)C3)cn1 ZINC000067872990 211026719 /nfs/dbraw/zinc/02/67/19/211026719.db2.gz OEALEJFYBSJTOC-QHCPKHFHSA-N 1 1 380.536 3.350 50 0 GGAAMO Cc1nc2cc(OCc3nc(C(=O)N4CC[N@H+]5CCC[C@H]5C4)co3)ccc2s1 ZINC000067872672 211026370 /nfs/dbraw/zinc/02/63/70/211026370.db2.gz CETNWOILNKBGBI-AWEZNQCLSA-N 1 1 398.488 3.092 50 0 GGAAMO C[C@H](C[N@H+]1CCN(C)C2(CCN(C(=O)c3ccco3)CC2)C1)c1ccccc1 ZINC000067867644 211026441 /nfs/dbraw/zinc/02/64/41/211026441.db2.gz USQKWNVHENRELM-LJQANCHMSA-N 1 1 381.520 3.306 50 0 GGAAMO Cc1[nH+]ccn1CC(=O)N1CCOc2c(O)cc(-c3ccccc3C)cc2C1 ZINC000067885967 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GGAAMO C[NH+]1CCC(N2CCC[C@H](NC(=O)C(c3ccccc3)c3ccccc3)C2)CC1 ZINC000067676849 211015385 /nfs/dbraw/zinc/01/53/85/211015385.db2.gz RZYHWEVKBBPNSH-QFIPXVFZSA-N 1 1 391.559 3.493 50 0 GGAAMO O=C([C@@H]1CC12CC[NH2+]CC2)N1CCC(c2[nH]ncc2-c2cccc(F)c2)CC1 ZINC000067643256 211013551 /nfs/dbraw/zinc/01/35/51/211013551.db2.gz DJGLVNLBLVQONJ-IBGZPJMESA-N 1 1 382.483 3.312 50 0 GGAAMO Cc1nc(-n2ccnc2)cc(N2CCN(C(=O)c3ccc4ccccc4c3)CC2)[nH+]1 ZINC000067604947 211013100 /nfs/dbraw/zinc/01/31/00/211013100.db2.gz VNITVBAQKILGTC-UHFFFAOYSA-N 1 1 398.470 3.086 50 0 GGAAMO O=C([C@H]1CC12CC[NH2+]CC2)N1CCC(c2[nH]ncc2-c2cccc(F)c2)CC1 ZINC000067643257 211012543 /nfs/dbraw/zinc/01/25/43/211012543.db2.gz DJGLVNLBLVQONJ-LJQANCHMSA-N 1 1 382.483 3.312 50 0 GGAAMO CCC[N@@H+]1CCc2nc(SCC(=O)Nc3cccc(CC)c3)[nH]c(=O)c2C1 ZINC000067291782 211006135 /nfs/dbraw/zinc/00/61/35/211006135.db2.gz GQTOLCALWVQHJW-UHFFFAOYSA-N 1 1 386.521 3.244 50 0 GGAAMO CCC[N@H+]1CCc2nc(SCC(=O)Nc3cccc(CC)c3)[nH]c(=O)c2C1 ZINC000067291782 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3.219 50 0 GGAAMO OCC[C@@H]1CN(Cc2cnn(-c3ccccc3)c2)CC[N@@H+]1Cc1cccs1 ZINC000020784454 210361465 /nfs/dbraw/zinc/36/14/65/210361465.db2.gz PIKHURISBNKFJW-HXUWFJFHSA-N 1 1 382.533 3.003 50 0 GGAAMO OCC[C@@H]1CN(Cc2cnn(-c3ccccc3)c2)CC[N@H+]1Cc1cccs1 ZINC000020784454 210361468 /nfs/dbraw/zinc/36/14/68/210361468.db2.gz PIKHURISBNKFJW-HXUWFJFHSA-N 1 1 382.533 3.003 50 0 GGAAMO CC[NH+]1CCN(C(=O)Cc2c(C)c3cc4c(C)c(C)oc4cc3oc2=O)CC1 ZINC000020624834 210354142 /nfs/dbraw/zinc/35/41/42/210354142.db2.gz IUMUXQWAKYFSKF-UHFFFAOYSA-N 1 1 382.460 3.171 50 0 GGAAMO COc1cc(CN2CC[N@@H+](Cc3cccc(C)c3)C[C@@H]2CCO)cc(OC)c1 ZINC000020599526 210350456 /nfs/dbraw/zinc/35/04/56/210350456.db2.gz NDLFKLWAIDNOID-NRFANRHFSA-N 1 1 384.520 3.081 50 0 GGAAMO O=C(CSCc1c(Cl)cccc1Cl)NCCC[NH+]1CCOCC1 ZINC000020567870 210348493 /nfs/dbraw/zinc/34/84/93/210348493.db2.gz XGDBEYHQQGVTKY-UHFFFAOYSA-N 1 1 377.337 3.065 50 0 GGAAMO CCOC(=O)C1=C(C[N@H+](C)Cc2ccccc2)NC(=O)N[C@H]1c1ccc(F)cc1 ZINC000020557819 210347745 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397.494 3.384 50 0 GGAAMO COc1ccc(CN2CC[N@@H+](Cc3ccc(C)cc3)[C@@H](CCO)C2)cc1OC ZINC000019608246 210275516 /nfs/dbraw/zinc/27/55/16/210275516.db2.gz DOYUVUFQTQNDSR-NRFANRHFSA-N 1 1 384.520 3.081 50 0 GGAAMO COc1ccc(-c2cccc(C(=O)NCC[C@H](C)[NH+]3CCOCC3)c2)c(F)c1 ZINC000426471041 533183445 /nfs/dbraw/zinc/18/34/45/533183445.db2.gz RYONDCULHRIYOO-INIZCTEOSA-N 1 1 386.467 3.342 50 0 GGAAMO COCC[NH+]1CCC(CN(Cc2cnn(C(C)C)c2)Cc2ccncc2)CC1 ZINC000011821610 221129165 /nfs/dbraw/zinc/12/91/65/221129165.db2.gz PAPYYCOCUXNNLH-UHFFFAOYSA-N 1 1 385.556 3.220 50 0 GGAAMO COc1cc(OC)cc(C(=O)NC[C@H]2CCC[N@@H+](Cc3cccc(C)n3)C2)c1 ZINC000011821646 221130067 /nfs/dbraw/zinc/13/00/67/221130067.db2.gz FPFUSORNTRLMNM-QGZVFWFLSA-N 1 1 383.492 3.049 50 0 GGAAMO Cc1ccc(-n2cc(C[N@@H+]3CCNC(=O)CC3)c(-c3ccc(F)cc3)n2)cc1 ZINC000011840347 221130770 /nfs/dbraw/zinc/13/07/70/221130770.db2.gz QQTDXJKNXQQVQM-UHFFFAOYSA-N 1 1 378.451 3.309 50 0 GGAAMO Cc1ccc(-n2cc(C[N@H+]3CCNC(=O)CC3)c(-c3ccc(F)cc3)n2)cc1 ZINC000011840347 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ZINC000426691126 533672829 /nfs/dbraw/zinc/67/28/29/533672829.db2.gz CHZSPVXRQKPZSY-IBGZPJMESA-N 1 1 381.524 3.231 50 0 GGAAMO Cc1[nH]nc2c1CN(C(=O)NCC[C@@H]1CCCC[N@H+]1Cc1ccccc1)CC2 ZINC000426691126 533672836 /nfs/dbraw/zinc/67/28/36/533672836.db2.gz CHZSPVXRQKPZSY-IBGZPJMESA-N 1 1 381.524 3.231 50 0 GGAAMO Cc1cc(Nc2cc(N3CC[NH+](C)CC3)nc(C=Cc3ccccc3)n2)n[nH]1 ZINC000060326209 136155808 /nfs/dbraw/zinc/15/58/08/136155808.db2.gz BLQYVHBZHAISJM-HJWRWDBZSA-N 1 1 375.480 3.174 50 0 GGAAMO COc1ccc(OC)c([C@H](O)C[NH+]2CCN(c3ccc(Cl)cc3)CC2)c1 ZINC000065255286 136161707 /nfs/dbraw/zinc/16/17/07/136161707.db2.gz CTPBSKBYUOLCIE-LJQANCHMSA-N 1 1 376.884 3.213 50 0 GGAAMO COc1ccc(OC)c([C@@H](O)C[NH+]2CCN(c3ccc(Cl)cc3)CC2)c1 ZINC000065255287 136161776 /nfs/dbraw/zinc/16/17/76/136161776.db2.gz CTPBSKBYUOLCIE-IBGZPJMESA-N 1 1 376.884 3.213 50 0 GGAAMO Cc1c(C[N@@H+]2CCN(c3ccccc3)C[C@@H]2C)c(=O)n(-c2ccccc2)n1C ZINC000065492814 136163979 /nfs/dbraw/zinc/16/39/79/136163979.db2.gz 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Cc1ccccc1NC(=O)N1CCN(c2cc[nH+]c(N3CCCCC3)n2)CC1 ZINC000072441447 136171003 /nfs/dbraw/zinc/17/10/03/136171003.db2.gz BNJQXPSYOJVJRS-UHFFFAOYSA-N 1 1 380.496 3.129 50 0 GGAAMO COc1cc(C[N@H+]2CCCC23CCN(c2ccccn2)CC3)cc2c1OCO2 ZINC000072454238 136171026 /nfs/dbraw/zinc/17/10/26/136171026.db2.gz QYZDYNQFNXNYAA-UHFFFAOYSA-N 1 1 381.476 3.454 50 0 GGAAMO Cc1nc(N2CCCC2)cc(N2CCN(C(=O)CCCc3ccccc3)CC2)[nH+]1 ZINC000082230406 136174363 /nfs/dbraw/zinc/17/43/63/136174363.db2.gz SMKQYWDLVWLTJP-UHFFFAOYSA-N 1 1 393.535 3.057 50 0 GGAAMO O=C(c1ccc2ccccc2c1)N1CCN(c2cc[nH+]c(N3CCCC3)n2)CC1 ZINC000082230476 136174652 /nfs/dbraw/zinc/17/46/52/136174652.db2.gz PVEUDGZJEPMCCH-UHFFFAOYSA-N 1 1 387.487 3.192 50 0 GGAAMO CC(C)C[N@H+]1CCc2nc[nH]c2C12CCN(c1cnc3ccccc3n1)CC2 ZINC000091755522 136177040 /nfs/dbraw/zinc/17/70/40/136177040.db2.gz LPBHMWKQCTVYPA-UHFFFAOYSA-N 1 1 376.508 3.363 50 0 GGAAMO COCCN1C[C@H]2CC[C@@H]1C[N@H+](C1CCN(c3ccc(F)cc3C)CC1)C2 ZINC000095359974 136178142 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3.498 50 0 GGAAMO O=C(NCC[N@H+]1CC[C@@H](c2ccccc2)C1)N1CCC(c2ccncc2)CC1 ZINC000426662234 534340405 /nfs/dbraw/zinc/34/04/05/534340405.db2.gz NLIGGRDGAIAWFU-JOCHJYFZSA-N 1 1 378.520 3.460 50 0 GGAAMO O=C(NCCc1c[nH]c2ccccc12)N1CCC[N@H+](Cc2cccnc2)CC1 ZINC000426597426 534438264 /nfs/dbraw/zinc/43/82/64/534438264.db2.gz PYSFIIXBORBOAM-UHFFFAOYSA-N 1 1 377.492 3.023 50 0 GGAAMO O=C(NCCc1c[nH]c2ccccc12)N1CCC[N@@H+](Cc2cccnc2)CC1 ZINC000426597426 534438278 /nfs/dbraw/zinc/43/82/78/534438278.db2.gz PYSFIIXBORBOAM-UHFFFAOYSA-N 1 1 377.492 3.023 50 0 GGAAMO CC(C)(C)NC(=O)C[N@H+]1CC[C@]2(C1)CCCN(Cc1cccc(F)c1F)C2 ZINC000426475426 526307399 /nfs/dbraw/zinc/30/73/99/526307399.db2.gz LXOYXTHHJWQUAW-OAQYLSRUSA-N 1 1 379.495 3.167 50 0 GGAAMO CC(C)(C)NC(=O)CN1CC[C@]2(C1)CCC[N@H+](Cc1cccc(F)c1F)C2 ZINC000426475426 526307408 /nfs/dbraw/zinc/30/74/08/526307408.db2.gz LXOYXTHHJWQUAW-OAQYLSRUSA-N 1 1 379.495 3.167 50 0 GGAAMO CC(C)(C)NC(=O)CN1CC[C@]2(C1)CCC[N@@H+](Cc1cccc(F)c1F)C2 ZINC000426475426 526307415 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377.920 3.480 50 0 GGAAMO CCC(=O)c1cccc(-c2cccc(C(=O)N3CC[N@H+](C)[C@@H](CCO)C3)c2)c1 ZINC000426359624 528469540 /nfs/dbraw/zinc/46/95/40/528469540.db2.gz MWYGIPLXGZVVOI-NRFANRHFSA-N 1 1 380.488 3.085 50 0 GGAAMO CCC(=O)c1cccc(-c2cccc(C(=O)N3CC[N@@H+](C)[C@@H](CCO)C3)c2)c1 ZINC000426359624 528469545 /nfs/dbraw/zinc/46/95/45/528469545.db2.gz MWYGIPLXGZVVOI-NRFANRHFSA-N 1 1 380.488 3.085 50 0 GGAAMO CCN(Cc1noc(C2CCC2)n1)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000426563514 528893730 /nfs/dbraw/zinc/89/37/30/528893730.db2.gz SURHFYUNLXBVQG-SFHVURJKSA-N 1 1 383.496 3.143 50 0 GGAAMO CC[N@H+]1CCCC[C@H]1CNC(=O)N1CCN(Cc2cccc(Cl)c2)CC1 ZINC000426606779 529011440 /nfs/dbraw/zinc/01/14/40/529011440.db2.gz RHOOIXXLKOIFAW-IBGZPJMESA-N 1 1 378.948 3.042 50 0 GGAAMO CC(C)[N@H+]1CC[C@H](CNC(=O)N2CCC(O)(c3ccc(Cl)cc3)CC2)C1 ZINC000426472726 529072547 /nfs/dbraw/zinc/07/25/47/529072547.db2.gz KKCBHKHKECSRCE-MRXNPFEDSA-N 1 1 379.932 3.063 50 0 GGAAMO CC(C)NC(=O)CC[N@H+]1CC[C@@]2(C1)CCCN(Cc1cccc(F)c1F)C2 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COc1cccc(C[N@H+]2CCN(Cc3cccc(F)c3F)C[C@H]2CCO)c1 ZINC000104325840 570257024 /nfs/dbraw/zinc/25/70/24/570257024.db2.gz LKDLUQITEDWCMN-GOSISDBHSA-N 1 1 376.447 3.042 50 0 GGAAMO COc1ccc(C[N@H+]2CCN(Cc3ccc(F)c(F)c3)C[C@H]2CCO)cc1C ZINC000104358418 570257067 /nfs/dbraw/zinc/25/70/67/570257067.db2.gz UMDLWZUXVZAGRT-LJQANCHMSA-N 1 1 390.474 3.351 50 0 GGAAMO COc1ccc(C[N@H+]2CCN(Cc3cccc(O)c3)C[C@H]2CCO)c(C)c1C ZINC000104358476 570257109 /nfs/dbraw/zinc/25/71/09/570257109.db2.gz NSCSYUUUVCTZCB-OAQYLSRUSA-N 1 1 384.520 3.086 50 0 GGAAMO COc1ccc(CN2CC[N@@H+](CC=C(C)C)[C@H](CCO)C2)c(Cl)c1OC ZINC000104329048 570257134 /nfs/dbraw/zinc/25/71/34/570257134.db2.gz NOXNXBAMWDNAQK-QGZVFWFLSA-N 1 1 382.932 3.192 50 0 GGAAMO COc1cc(CN2CC[N@@H+](CCCc3ccccc3)C[C@H]2CCO)cc(OC)c1 ZINC000104363837 570257330 /nfs/dbraw/zinc/25/73/30/570257330.db2.gz NAMLHHQXAPISTO-JOCHJYFZSA-N 1 1 398.547 3.205 50 0 GGAAMO CC(C)[NH+]1CCC(N2CCN(Cc3cc4ccccc4o3)C[C@H]2CCO)CC1 ZINC000104448356 570258394 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CC(C)C[N@H+]1CCN(Cc2c[nH]nc2-c2ccc(Cl)cc2)C[C@H]1CCO ZINC000104469837 570259427 /nfs/dbraw/zinc/25/94/27/570259427.db2.gz WHCAINUQMRSXMV-LJQANCHMSA-N 1 1 376.932 3.255 50 0 GGAAMO CCOc1ccc(C[N@@H+]2CCN(Cc3ccc(F)c(F)c3)C[C@H]2CCO)cc1 ZINC000104502770 570259487 /nfs/dbraw/zinc/25/94/87/570259487.db2.gz TWHOMWAXNAQPRZ-LJQANCHMSA-N 1 1 390.474 3.432 50 0 GGAAMO CCOc1ccc(C[N@H+]2CCN(Cc3ccc(F)c(F)c3)C[C@H]2CCO)cc1 ZINC000104502770 570259490 /nfs/dbraw/zinc/25/94/90/570259490.db2.gz TWHOMWAXNAQPRZ-LJQANCHMSA-N 1 1 390.474 3.432 50 0 GGAAMO COc1ccc(C[N@@H+]2CCN(Cc3cc(F)ccc3F)C[C@H]2CCO)cc1C ZINC000104544882 570259744 /nfs/dbraw/zinc/25/97/44/570259744.db2.gz KDEAMNXPSPQCCY-HXUWFJFHSA-N 1 1 390.474 3.351 50 0 GGAAMO COc1ccc(C[N@H+]2CCN(Cc3cc(F)ccc3F)C[C@H]2CCO)cc1C ZINC000104544882 570259745 /nfs/dbraw/zinc/25/97/45/570259745.db2.gz KDEAMNXPSPQCCY-HXUWFJFHSA-N 1 1 390.474 3.351 50 0 GGAAMO COc1ccc(OC)c(CN2CC[N@@H+](Cc3ccccc3C)[C@H](CCO)C2)c1 ZINC000104528100 570260040 /nfs/dbraw/zinc/26/00/40/570260040.db2.gz NTIHTWZTNDWIIV-OAQYLSRUSA-N 1 1 384.520 3.081 50 0 GGAAMO Cc1cccc(CN2CC[N@H+](Cc3ccc4cc(F)ccc4n3)C[C@H]2CCO)n1 ZINC000106702474 570261098 /nfs/dbraw/zinc/26/10/98/570261098.db2.gz BOQVRPNILLVDAS-JOCHJYFZSA-N 1 1 394.494 3.146 50 0 GGAAMO Cc1cccc(CN2CC[N@@H+](Cc3ccc4cc(F)ccc4n3)C[C@H]2CCO)n1 ZINC000106702474 570261102 /nfs/dbraw/zinc/26/11/02/570261102.db2.gz BOQVRPNILLVDAS-JOCHJYFZSA-N 1 1 394.494 3.146 50 0 GGAAMO COCCCN(C[C@H]1CCC[N@H+]2CCCC[C@@H]12)C(=O)Cc1ccc(OC)cc1 ZINC000583652798 570262541 /nfs/dbraw/zinc/26/25/41/570262541.db2.gz WTNPVRFIJAZJAH-IRLDBZIGSA-N 1 1 388.552 3.367 50 0 biogenic GGAAMO CN(Cc1cc(-c2ccncc2)no1)C(=O)N[C@H]1CCC[N@H+](C2CCCC2)C1 ZINC000584901936 570271414 /nfs/dbraw/zinc/27/14/14/570271414.db2.gz CVAKOYZRNSEZJZ-KRWDZBQOSA-N 1 1 383.496 3.285 50 0 GGAAMO O=C(NC[C@H]1CCC[N@@H+](Cc2ccco2)C1)N1CCC(Oc2ccncc2)CC1 ZINC000584903559 570274000 /nfs/dbraw/zinc/27/40/00/570274000.db2.gz FVPUFDYGMOEPNI-GOSISDBHSA-N 1 1 398.507 3.140 50 0 GGAAMO COC(=O)c1n[nH]cc1CN1CCC[C@]2(CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000102687186 570291455 /nfs/dbraw/zinc/29/14/55/570291455.db2.gz DJSVTXWPDWCJHW-QFIPXVFZSA-N 1 1 382.508 3.075 50 0 GGAAMO C[N@H+]1CCCC[C@@H]1CC(=O)N1CCN(Cc2cccc(C(F)(F)F)c2)CC1 ZINC000215831180 570292028 /nfs/dbraw/zinc/29/20/28/570292028.db2.gz KAIBUFNFJKRDJQ-GOSISDBHSA-N 1 1 383.458 3.224 50 0 GGAAMO Cc1cc(C(=O)NCCC[N@H+]2CCC[C@@H](CO)C2)c2ccc(Cl)cc2n1 ZINC000216038330 570295016 /nfs/dbraw/zinc/29/50/16/570295016.db2.gz JINYWVXQQMSWAD-OAHLLOKOSA-N 1 1 375.900 3.021 50 0 GGAAMO COc1ccc(C[N@H+]2CCC[C@H](Nc3ccccc3)C2)cc1Cn1cncn1 ZINC000012300949 570299059 /nfs/dbraw/zinc/29/90/59/570299059.db2.gz VLRCFPWRZFVFID-NRFANRHFSA-N 1 1 377.492 3.412 50 0 GGAAMO COc1ccccc1N1C[C@@H]2C[C@@H](c3cc(C(C)C)n[nH]3)[N@@H+]3CCC[C@@]23C1=O ZINC000012306739 570299607 /nfs/dbraw/zinc/29/96/07/570299607.db2.gz RGJZIHLDECBNPA-OHEPNIRZSA-N 1 1 380.492 3.484 50 0 GGAAMO COc1ccccc1N1C[C@@H]2C[C@@H](c3cc(C(C)C)n[nH]3)[N@H+]3CCC[C@@]23C1=O ZINC000012306739 570299610 /nfs/dbraw/zinc/29/96/10/570299610.db2.gz RGJZIHLDECBNPA-OHEPNIRZSA-N 1 1 380.492 3.484 50 0 GGAAMO CN(Cc1cccnc1)Cc1cccc(OC[C@H](O)C[NH+]2CCCCCC2)c1 ZINC000012318934 570307468 /nfs/dbraw/zinc/30/74/68/570307468.db2.gz CKGRQOJGCSYFCV-JOCHJYFZSA-N 1 1 383.536 3.329 50 0 GGAAMO COc1ccc(CNC(=O)CC[C@H]2CCC[N@@H+](Cc3ccccn3)C2)c(OC)c1 ZINC000012319252 570307782 /nfs/dbraw/zinc/30/77/82/570307782.db2.gz UVGALHZLUXSUIH-GOSISDBHSA-N 1 1 397.519 3.407 50 0 GGAAMO Cc1ccccc1-c1ccc(CN2CC[N@H+](C)[C@@]3(C2)CCNC(=O)CC3)cc1 ZINC000107402447 570309370 /nfs/dbraw/zinc/30/93/70/570309370.db2.gz OSBRNLJOKIOXFB-XMMPIXPASA-N 1 1 377.532 3.448 50 0 GGAAMO Cc1ccccc1-c1ccc(C[N@H+]2CCN(C)[C@@]3(C2)CCNC(=O)CC3)cc1 ZINC000107402447 570309372 /nfs/dbraw/zinc/30/93/72/570309372.db2.gz OSBRNLJOKIOXFB-XMMPIXPASA-N 1 1 377.532 3.448 50 0 GGAAMO Cc1ccccc1-c1ccc(C[N@@H+]2CCN(C)[C@@]3(C2)CCNC(=O)CC3)cc1 ZINC000107402447 570309374 /nfs/dbraw/zinc/30/93/74/570309374.db2.gz OSBRNLJOKIOXFB-XMMPIXPASA-N 1 1 377.532 3.448 50 0 GGAAMO C[N@H+]1CCN(Cc2cccc(Oc3ccccc3)c2)C[C@@]12CCNC(=O)CC2 ZINC000107404182 570309460 /nfs/dbraw/zinc/30/94/60/570309460.db2.gz WTYQEAJHPWXOES-HSZRJFAPSA-N 1 1 379.504 3.265 50 0 GGAAMO CSCC[C@@H](C(=O)N1CC[NH+](CCn2c(C)ccc2C)CC1)n1cccc1 ZINC000575443108 570313789 /nfs/dbraw/zinc/31/37/89/570313789.db2.gz HCCASLAPXBOGSZ-FQEVSTJZSA-N 1 1 388.581 3.045 50 0 GGAAMO COc1ccc(C2=NN(C(=O)CC[NH+]3CCOCC3)[C@H](c3ccccc3)C2)cc1 ZINC000022553923 570321883 /nfs/dbraw/zinc/32/18/83/570321883.db2.gz OVXNGTCVODRORC-QFIPXVFZSA-N 1 1 393.487 3.095 50 0 GGAAMO COc1ccc(C2=NN(C(=O)CC[NH+]3CCOCC3)[C@@H](c3ccccc3)C2)cc1 ZINC000022553921 570321887 /nfs/dbraw/zinc/32/18/87/570321887.db2.gz OVXNGTCVODRORC-JOCHJYFZSA-N 1 1 393.487 3.095 50 0 GGAAMO CCc1ccc(C[NH+]2CCN(CC(=O)Nc3cccc4nsnc43)CC2)cc1 ZINC000022752114 570326356 /nfs/dbraw/zinc/32/63/56/570326356.db2.gz FQXWGUCJYHKUIK-UHFFFAOYSA-N 1 1 395.532 3.010 50 0 GGAAMO COc1ccc(CN2CC[N@@H+](Cc3ccc(OC)c(C)c3)[C@H](CCO)C2)cc1C ZINC000022852909 570331360 /nfs/dbraw/zinc/33/13/60/570331360.db2.gz ASLQLRLBGIIMRA-JOCHJYFZSA-N 1 1 398.547 3.389 50 0 GGAAMO COc1ccc(CN2CC[N@H+](Cc3ccc(OC)c(C)c3)C[C@H]2CCO)cc1C ZINC000022852909 570331362 /nfs/dbraw/zinc/33/13/62/570331362.db2.gz ASLQLRLBGIIMRA-JOCHJYFZSA-N 1 1 398.547 3.389 50 0 GGAAMO COc1ccc(CN2CC[N@@H+](Cc3ccc(OC)c(C)c3)C[C@H]2CCO)cc1C ZINC000022852909 570331364 /nfs/dbraw/zinc/33/13/64/570331364.db2.gz ASLQLRLBGIIMRA-JOCHJYFZSA-N 1 1 398.547 3.389 50 0 GGAAMO COC(=O)C[C@H](c1ccsc1)c1oc(C[NH+]2CCCCC2)cc(=O)c1O ZINC000218327606 570331664 /nfs/dbraw/zinc/33/16/64/570331664.db2.gz ICCDRDHSRJDLKI-OAHLLOKOSA-N 1 1 377.462 3.088 50 0 GGAAMO Cc1ccc(C[N@H+]2CCN(Cc3cccn3-c3ccccn3)C[C@@H]2CCO)cc1 ZINC000022914519 570334645 /nfs/dbraw/zinc/33/46/45/570334645.db2.gz YHZKZBSIWQKESJ-QFIPXVFZSA-N 1 1 390.531 3.250 50 0 GGAAMO CCOc1ccc2nc(CN3CC[N@@H+](CC=C(C)C)[C@@H](CCO)C3)ccc2c1 ZINC000022914413 570334653 /nfs/dbraw/zinc/33/46/53/570334653.db2.gz UUMZKTQBLAEJPW-NRFANRHFSA-N 1 1 383.536 3.468 50 0 GGAAMO Cc1ccc(N2C(=O)C[C@@H](N3CC[NH+](Cc4ccccc4)CC3)C2=O)c(Cl)c1 ZINC000022927330 570336173 /nfs/dbraw/zinc/33/61/73/570336173.db2.gz FIQPYDWMZCUIIW-HXUWFJFHSA-N 1 1 397.906 3.098 50 0 GGAAMO OCC[C@H]1CN(Cc2cccn2-c2nccs2)CC[N@H+]1Cc1ccccc1 ZINC000022932675 570337553 /nfs/dbraw/zinc/33/75/53/570337553.db2.gz HOSFHJNTRIXBED-IBGZPJMESA-N 1 1 382.533 3.003 50 0 GGAAMO OCC[C@@H]1CN(Cc2ccc(Oc3ncccn3)cc2)CC[N@H+]1C1CCCC1 ZINC000022932789 570337608 /nfs/dbraw/zinc/33/76/08/570337608.db2.gz ZWOWGDHQOBVHRU-HXUWFJFHSA-N 1 1 382.508 3.080 50 0 GGAAMO OCC[C@@H]1CN(Cc2ccc3cccc(F)c3n2)CC[N@H+]1CCc1ccccc1 ZINC000023128576 570345292 /nfs/dbraw/zinc/34/52/92/570345292.db2.gz ZDYGXPUHPZKTTE-JOCHJYFZSA-N 1 1 393.506 3.485 50 0 GGAAMO O=C(NCCc1cnccn1)c1ccc([C@@H]2CCC[N@@H+]2Cc2ccoc2)s1 ZINC000023312123 570354603 /nfs/dbraw/zinc/35/46/03/570354603.db2.gz YMCHPGKSIVUCPF-KRWDZBQOSA-N 1 1 382.489 3.441 50 0 GGAAMO O=C(NCCc1cnccn1)c1ccc([C@@H]2CCC[N@H+]2Cc2ccoc2)s1 ZINC000023312123 570354607 /nfs/dbraw/zinc/35/46/07/570354607.db2.gz YMCHPGKSIVUCPF-KRWDZBQOSA-N 1 1 382.489 3.441 50 0 GGAAMO COc1cc(C)c(C)cc1S(=O)(=O)NC[C@H](c1ccc(C)cc1)[NH+](C)C ZINC000007997204 570354683 /nfs/dbraw/zinc/35/46/83/570354683.db2.gz CUQBYSUPAFEHBF-GOSISDBHSA-N 1 1 376.522 3.202 50 0 GGAAMO C[C@@H](NC(=O)c1ccco1)c1nnc2n1CC[N@@H+](Cc1ccccc1Cl)CC2 ZINC000023339468 570355327 /nfs/dbraw/zinc/35/53/27/570355327.db2.gz CGOYKGBIQYPGOG-CQSZACIVSA-N 1 1 399.882 3.074 50 0 GGAAMO C[C@@H](NC(=O)c1ccco1)c1nnc2n1CC[N@H+](Cc1ccccc1Cl)CC2 ZINC000023339468 570355328 /nfs/dbraw/zinc/35/53/28/570355328.db2.gz CGOYKGBIQYPGOG-CQSZACIVSA-N 1 1 399.882 3.074 50 0 GGAAMO COc1ccc(CN2CC[N@@H+](Cc3ccc(C)s3)C[C@@H]2CCO)c(F)c1 ZINC000023361274 570356762 /nfs/dbraw/zinc/35/67/62/570356762.db2.gz AAYJRLRPJHWZOJ-KRWDZBQOSA-N 1 1 378.513 3.273 50 0 GGAAMO COc1ccc(OC)c(CN2CC[N@@H+](Cc3ccccc3C)[C@@H](CCO)C2)c1 ZINC000023372886 570357726 /nfs/dbraw/zinc/35/77/26/570357726.db2.gz NTIHTWZTNDWIIV-NRFANRHFSA-N 1 1 384.520 3.081 50 0 GGAAMO CCn1ccnc1CN1CCC[C@H]([N@@H+](C)CCc2ccc(OC)c(OC)c2)C1 ZINC000023373381 570357739 /nfs/dbraw/zinc/35/77/39/570357739.db2.gz XPTIYWRWNCKLBW-IBGZPJMESA-N 1 1 386.540 3.059 50 0 GGAAMO COc1ccccc1C[N@@H+]1CCN(Cc2ccc(F)c(F)c2)[C@@H](CCO)C1 ZINC000023373654 570357787 /nfs/dbraw/zinc/35/77/87/570357787.db2.gz ANMWJDRICZSEOR-SFHVURJKSA-N 1 1 376.447 3.042 50 0 GGAAMO COc1ccccc1C[N@H+]1CCN(Cc2ccc(F)c(F)c2)[C@@H](CCO)C1 ZINC000023373654 570357790 /nfs/dbraw/zinc/35/77/90/570357790.db2.gz ANMWJDRICZSEOR-SFHVURJKSA-N 1 1 376.447 3.042 50 0 GGAAMO COc1cccc(CN2CC[N@@H+](Cc3cn(C)c4ccccc34)C[C@@H]2CCO)c1 ZINC000023374960 570358222 /nfs/dbraw/zinc/35/82/22/570358222.db2.gz RTJYSDIYPZVKNV-NRFANRHFSA-N 1 1 393.531 3.256 50 0 GGAAMO COc1cccc(C[N@@H+]2CCN(Cc3cn(C)c4ccccc34)C[C@@H]2CCO)c1 ZINC000023374960 570358224 /nfs/dbraw/zinc/35/82/24/570358224.db2.gz RTJYSDIYPZVKNV-NRFANRHFSA-N 1 1 393.531 3.256 50 0 GGAAMO COc1cccc(C[N@H+]2CCN(Cc3cn(C)c4ccccc34)C[C@@H]2CCO)c1 ZINC000023374960 570358225 /nfs/dbraw/zinc/35/82/25/570358225.db2.gz RTJYSDIYPZVKNV-NRFANRHFSA-N 1 1 393.531 3.256 50 0 GGAAMO COc1cccc(CN2CC[N@@H+](Cc3c[nH]c4ccccc34)C[C@@H]2CCO)c1 ZINC000023375394 570358726 /nfs/dbraw/zinc/35/87/26/570358726.db2.gz ASPGUHCQLIFRGD-FQEVSTJZSA-N 1 1 379.504 3.245 50 0 GGAAMO COc1cccc(C[N@@H+]2CCN(Cc3c[nH]c4ccccc34)C[C@@H]2CCO)c1 ZINC000023375394 570358729 /nfs/dbraw/zinc/35/87/29/570358729.db2.gz ASPGUHCQLIFRGD-FQEVSTJZSA-N 1 1 379.504 3.245 50 0 GGAAMO COc1cccc(C[N@H+]2CCN(Cc3c[nH]c4ccccc34)C[C@@H]2CCO)c1 ZINC000023375394 570358732 /nfs/dbraw/zinc/35/87/32/570358732.db2.gz ASPGUHCQLIFRGD-FQEVSTJZSA-N 1 1 379.504 3.245 50 0 GGAAMO COc1ccc(C(=O)[C@@H]2CCC[N@H+](Cc3cnc(N(C)C)s3)C2)cc1OC ZINC000023379845 570358768 /nfs/dbraw/zinc/35/87/68/570358768.db2.gz SZCKRGRNQNUVPT-OAHLLOKOSA-N 1 1 389.521 3.321 50 0 GGAAMO COc1ccc(C(=O)[C@@H]2CCC[N@@H+](Cc3cnc(N(C)C)s3)C2)cc1OC ZINC000023379845 570358771 /nfs/dbraw/zinc/35/87/71/570358771.db2.gz SZCKRGRNQNUVPT-OAHLLOKOSA-N 1 1 389.521 3.321 50 0 GGAAMO O=C1C[C@H]([NH+]2CCC(c3nc4ccccc4[nH]3)CC2)C(=O)N1c1ccc(F)cc1 ZINC000004171680 570360913 /nfs/dbraw/zinc/36/09/13/570360913.db2.gz YMXGUSHYKPUVQO-IBGZPJMESA-N 1 1 392.434 3.214 50 0 GGAAMO Cc1cc(F)ccc1S(=O)(=O)NC[C@H](c1cc2ccccc2o1)[NH+](C)C ZINC000575621755 570370628 /nfs/dbraw/zinc/37/06/28/570370628.db2.gz SWQRWRLJSJSWHL-MRXNPFEDSA-N 1 1 376.453 3.462 50 0 GGAAMO COc1ccc(C(=O)Nc2ccc(N3CC[NH+](C)CC3)c(Cl)c2)c(OC)c1 ZINC000004414529 570374265 /nfs/dbraw/zinc/37/42/65/570374265.db2.gz QETNJZNFIMLISQ-UHFFFAOYSA-N 1 1 389.883 3.361 50 0 GGAAMO CC(C)C[C@H](NC(=O)[C@@H]1Cc2ccccc2C[NH2+]1)C(=O)N[C@H](C)c1ccccc1 ZINC000035485120 570374267 /nfs/dbraw/zinc/37/42/67/570374267.db2.gz QCGAHBJAJFJKIV-WTNAPCKOSA-N 1 1 393.531 3.109 50 0 biogenic GGAAMO CCOC(=O)C(CCSC)(CC[N@@H+](C)Cc1ccccc1)C(=O)OCC ZINC000004578781 570386065 /nfs/dbraw/zinc/38/60/65/570386065.db2.gz BFNTXLMUCPTFQK-UHFFFAOYSA-N 1 1 381.538 3.374 50 0 GGAAMO O=C1C[C@H]([NH+]2CCC(Nc3ccc(F)cc3)CC2)C(=O)N1c1ccc(F)cc1 ZINC000004594139 570386542 /nfs/dbraw/zinc/38/65/42/570386542.db2.gz IEPFSXXOGYCXDF-IBGZPJMESA-N 1 1 385.414 3.173 50 0 GGAAMO CN(Cc1cc(-c2ccncc2)no1)C(=O)C[N@H+]1CC[C@H](c2ccccc2)C1 ZINC000221406296 570394454 /nfs/dbraw/zinc/39/44/54/570394454.db2.gz PAHUIQKHTGKEKL-IBGZPJMESA-N 1 1 376.460 3.185 50 0 GGAAMO Cc1nc(-n2ccnc2)cc(N2CCN(C(=O)c3cccc4ccccc43)CC2)[nH+]1 ZINC000035598066 570400485 /nfs/dbraw/zinc/40/04/85/570400485.db2.gz ZBIYGZMEBFFCQR-UHFFFAOYSA-N 1 1 398.470 3.086 50 0 GGAAMO COc1ccccc1-c1cc(C(=O)NC[C@H]2CCC[N@H+]3CCCC[C@H]23)n(C)n1 ZINC000252539691 570419725 /nfs/dbraw/zinc/41/97/25/570419725.db2.gz OJCSZXRGAQMWEK-VQIMIIECSA-N 1 1 382.508 3.090 50 0 GGAAMO O=C1C[C@H]([N@H+]2CCCC[C@H]2CCO)C(=O)N1c1ccc(Oc2ccccc2)cc1 ZINC000239073306 570428261 /nfs/dbraw/zinc/42/82/61/570428261.db2.gz GXSPUGSBLXUWIE-UWJYYQICSA-N 1 1 394.471 3.348 50 0 GGAAMO 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3.445 50 0 GGAAMO CC(C)CN(C)C(=O)[C@@H]1CCC[N@H+](C2CCN(C3Cc4ccccc4C3)CC2)C1 ZINC000011996811 570597285 /nfs/dbraw/zinc/59/72/85/570597285.db2.gz OOXJGQFOKSOYIK-JOCHJYFZSA-N 1 1 397.607 3.445 50 0 GGAAMO COCc1ccc(C[N@H+]2CCC[C@H](CNC(=O)Cc3ccc(OC)cc3)C2)o1 ZINC000012003060 570597677 /nfs/dbraw/zinc/59/76/77/570597677.db2.gz RRSLYMLBIHTGJL-GOSISDBHSA-N 1 1 386.492 3.006 50 0 GGAAMO C[N@H+](Cc1nc(-c2ccc3c(c2)OCO3)no1)Cc1cccc(-n2cccn2)c1 ZINC000012048881 570600406 /nfs/dbraw/zinc/60/04/06/570600406.db2.gz VELOCDLCIOIMHA-UHFFFAOYSA-N 1 1 389.415 3.283 50 0 GGAAMO C[N@@H+](Cc1nc(-c2ccc3c(c2)OCO3)no1)Cc1cccc(-n2cccn2)c1 ZINC000012048881 570600407 /nfs/dbraw/zinc/60/04/07/570600407.db2.gz VELOCDLCIOIMHA-UHFFFAOYSA-N 1 1 389.415 3.283 50 0 GGAAMO COc1ccc2c(c1)O[C@H](C)C[N@H+](CCC(=O)NCc1cccc(F)c1F)C2 ZINC000012049276 570600474 /nfs/dbraw/zinc/60/04/74/570600474.db2.gz CNCAUNWQZJQEMY-CQSZACIVSA-N 1 1 390.430 3.263 50 0 GGAAMO O=C(c1cc(C[NH+]2CCC(Cc3ccccc3)CC2)on1)N1CCSCC1 ZINC000012054509 570601519 /nfs/dbraw/zinc/60/15/19/570601519.db2.gz LKYZSUYEFDQHPJ-UHFFFAOYSA-N 1 1 385.533 3.318 50 0 GGAAMO CC(C)Cc1ccc(C[N@H+]2CCC[C@@H](NC(=O)CCc3cnccn3)C2)cc1 ZINC000012055232 570602205 /nfs/dbraw/zinc/60/22/05/570602205.db2.gz HDVZYEKEDSKOAI-JOCHJYFZSA-N 1 1 380.536 3.389 50 0 GGAAMO C[N@@H+](CCc1ccccn1)[C@H]1CCCN(S(=O)(=O)/C=C/c2ccccc2)C1 ZINC000012076850 570605666 /nfs/dbraw/zinc/60/56/66/570605666.db2.gz PSIBAODWWQAALV-ZDJZVTAXSA-N 1 1 385.533 3.021 50 0 GGAAMO CCOC(=O)c1[nH]c2ccc(OCC)cc2c1NC(=O)C[NH+]1CCC(C)CC1 ZINC000005478063 570608097 /nfs/dbraw/zinc/60/80/97/570608097.db2.gz HKCNNXQBKUYTBT-UHFFFAOYSA-N 1 1 387.480 3.414 50 0 GGAAMO CC(C)c1ccc(C[N@@H+]2CCc3nnc([C@@H](C)NC(=O)C4CC4)n3CC2)cc1 ZINC000012165603 570619283 /nfs/dbraw/zinc/61/92/83/570619283.db2.gz FWWWJNHJLAASTK-MRXNPFEDSA-N 1 1 381.524 3.047 50 0 GGAAMO CC(=O)N[C@H](CC(C)C)c1nnc2n1CC[N@@H+](Cc1cccc(Cl)c1)CC2 ZINC000012190982 570622298 /nfs/dbraw/zinc/62/22/98/570622298.db2.gz PPRGWOYVHJZXFI-GOSISDBHSA-N 1 1 389.931 3.213 50 0 GGAAMO CC(=O)N[C@H](CC(C)C)c1nnc2n1CC[N@H+](Cc1cccc(Cl)c1)CC2 ZINC000012190982 570622303 /nfs/dbraw/zinc/62/23/03/570622303.db2.gz PPRGWOYVHJZXFI-GOSISDBHSA-N 1 1 389.931 3.213 50 0 GGAAMO CN(C[C@H]1CCC[N@@H+](CCc2ccc(Cl)cc2)C1)C(=O)c1ccc[n+]([O-])c1 ZINC000012194791 570622519 /nfs/dbraw/zinc/62/25/19/570622519.db2.gz UNFPHVNGSGKJEU-GOSISDBHSA-N 1 1 387.911 3.000 50 0 GGAAMO c1cc(C[N@H+]2CCc3[nH]nc(-c4ccc5c(c4)OCO5)c3C2)cc2c1OCC2 ZINC000043131338 570625766 /nfs/dbraw/zinc/62/57/66/570625766.db2.gz RBPPSMNMXDUQSS-UHFFFAOYSA-N 1 1 375.428 3.299 50 0 GGAAMO C[N@@H+](Cc1ccccc1)[C@H]1CCCN(C(=O)CCc2ccc3c(c2)OCO3)C1 ZINC000012209816 570626496 /nfs/dbraw/zinc/62/64/96/570626496.db2.gz COMGSOKZCDAEFV-FQEVSTJZSA-N 1 1 380.488 3.471 50 0 GGAAMO CC(C)c1cc(C(=O)N(C)[C@@H]2CCC[N@H+](Cc3ccccc3F)C2)nc(N)n1 ZINC000012224428 570628452 /nfs/dbraw/zinc/62/84/52/570628452.db2.gz NOVLKAKBDJVPDJ-MRXNPFEDSA-N 1 1 385.487 3.058 50 0 GGAAMO CC(C)c1cc(C(=O)N(C)[C@@H]2CCC[N@@H+](Cc3ccccc3F)C2)nc(N)n1 ZINC000012224428 570628454 /nfs/dbraw/zinc/62/84/54/570628454.db2.gz NOVLKAKBDJVPDJ-MRXNPFEDSA-N 1 1 385.487 3.058 50 0 GGAAMO C/C=C(\C)C[N@@H+]1CCc2nnc([C@H](CC(C)C)NC(=O)c3ccco3)n2CC1 ZINC000012245564 570631132 /nfs/dbraw/zinc/63/11/32/570631132.db2.gz VREPFKMYUSXGDU-DNIVAWAASA-N 1 1 385.512 3.213 50 0 GGAAMO Cc1[nH+]ccn1-c1ccc(NC(=O)[C@H]2CCCN2C(=O)c2cccc(C)n2)cc1 ZINC000012297807 570634282 /nfs/dbraw/zinc/63/42/82/570634282.db2.gz PHQJWRZGBCTXFV-HXUWFJFHSA-N 1 1 389.459 3.127 50 0 GGAAMO COc1ccc(N[C@@H]2CCC[N@@H+](Cc3cccc(OCCO)c3)C2)cc1OC ZINC000012299543 570635414 /nfs/dbraw/zinc/63/54/14/570635414.db2.gz FPINOUVWFQSKHB-LJQANCHMSA-N 1 1 386.492 3.151 50 0 GGAAMO Cc1[nH+]cc(CN2CCC[C@H]2C(=O)Nc2ccc(-c3cscn3)cc2)n1C ZINC000012302929 570637143 /nfs/dbraw/zinc/63/71/43/570637143.db2.gz DORGWZSFEIPNAE-IBGZPJMESA-N 1 1 381.505 3.455 50 0 GGAAMO COc1cccc(C[N@H+]2CCC[C@H](NC(=O)c3ccc(-n4ccnc4)cc3)C2)c1 ZINC000012306302 570639190 /nfs/dbraw/zinc/63/91/90/570639190.db2.gz HMMYUHJLYSVZCD-FQEVSTJZSA-N 1 1 390.487 3.275 50 0 GGAAMO Cc1nc(-c2ccccc2)[nH]c1C(=O)N[C@H]1CCC[N@H+](Cc2ccccn2)C1 ZINC000012306957 570639379 /nfs/dbraw/zinc/63/93/79/570639379.db2.gz ZNBQTTGKMIQGNN-IBGZPJMESA-N 1 1 375.476 3.175 50 0 GGAAMO Cc1nc(-c2ccccc2)[nH]c1C(=O)N[C@H]1CCC[N@@H+](Cc2ccccn2)C1 ZINC000012306957 570639383 /nfs/dbraw/zinc/63/93/83/570639383.db2.gz ZNBQTTGKMIQGNN-IBGZPJMESA-N 1 1 375.476 3.175 50 0 GGAAMO Cc1ccc(C(=O)N[C@H]2CCC[N@H+](C3CCCCCC3)C2)cc1N1CCNC1=O ZINC000012315721 570641150 /nfs/dbraw/zinc/64/11/50/570641150.db2.gz KEBHZHGZNBEUCH-IBGZPJMESA-N 1 1 398.551 3.442 50 0 GGAAMO CCn1cc(C[N@H+]2CCC[C@H](C(=O)Nc3cccc(-n4cccn4)c3)C2)c(C)n1 ZINC000012315708 570641478 /nfs/dbraw/zinc/64/14/78/570641478.db2.gz FDFGDNFQNHYTJE-SFHVURJKSA-N 1 1 392.507 3.248 50 0 GGAAMO CCCCN(C)C(=O)c1nc2ccccn2c1C[N@H+](CCO)Cc1ccccc1 ZINC000012317046 570641966 /nfs/dbraw/zinc/64/19/66/570641966.db2.gz QBURPLUBGYEUIY-UHFFFAOYSA-N 1 1 394.519 3.201 50 0 GGAAMO CCCCN(C)C(=O)c1nc2ccccn2c1C[N@@H+](CCO)Cc1ccccc1 ZINC000012317046 570641969 /nfs/dbraw/zinc/64/19/69/570641969.db2.gz QBURPLUBGYEUIY-UHFFFAOYSA-N 1 1 394.519 3.201 50 0 GGAAMO COc1ccc2[nH]c3c(c2c1)CN(C(=O)C[N@@H+]1CCc2ccccc2C1)CC3 ZINC000036368146 570645970 /nfs/dbraw/zinc/64/59/70/570645970.db2.gz PTYSWLXSYVXHFF-UHFFFAOYSA-N 1 1 375.472 3.120 50 0 biogenic GGAAMO COc1ccc2[nH]c3c(c2c1)CN(C(=O)C[N@H+]1CCc2ccccc2C1)CC3 ZINC000036368146 570645971 /nfs/dbraw/zinc/64/59/71/570645971.db2.gz PTYSWLXSYVXHFF-UHFFFAOYSA-N 1 1 375.472 3.120 50 0 biogenic GGAAMO CN1Cc2sc3c(c2CC1(C)C)c(=O)n(-c1ccccc1)c1nnc([S-])n31 ZINC000024979667 570647776 /nfs/dbraw/zinc/64/77/76/570647776.db2.gz KSPBQSOBEAYORE-UHFFFAOYSA-N 1 1 397.529 3.150 50 0 GGAAMO O=C(Nc1cccc(-n2cnnn2)c1)[C@@H]1CCC[N@@H+]1Cc1cc2ccccc2o1 ZINC000012385453 570650374 /nfs/dbraw/zinc/65/03/74/570650374.db2.gz CNOYVFVTGLWBOX-IBGZPJMESA-N 1 1 388.431 3.012 50 0 GGAAMO O=C(Nc1cccc(-n2cnnn2)c1)[C@@H]1CCC[N@H+]1Cc1cc2ccccc2o1 ZINC000012385453 570650377 /nfs/dbraw/zinc/65/03/77/570650377.db2.gz CNOYVFVTGLWBOX-IBGZPJMESA-N 1 1 388.431 3.012 50 0 GGAAMO CC[C@H]1CN(c2ccc(-c3nc(CCc4ccccc4)no3)cn2)CC[N@H+]1C ZINC000012387564 570652399 /nfs/dbraw/zinc/65/23/99/570652399.db2.gz XVSDSAMLXRDSCO-IBGZPJMESA-N 1 1 377.492 3.447 50 0 GGAAMO Cc1ccn(CCC(=O)N2CC[C@@]3(C2)CCC[N@@H+](Cc2ccc(F)cc2)C3)n1 ZINC000012432138 570660005 /nfs/dbraw/zinc/66/00/05/570660005.db2.gz CUTYERLLWNDHEZ-QFIPXVFZSA-N 1 1 384.499 3.235 50 0 GGAAMO Cc1ccn(CCC(=O)N2CC[C@]3(C2)CCC[N@@H+](Cc2ccc(F)cc2)C3)n1 ZINC000012432137 570660056 /nfs/dbraw/zinc/66/00/56/570660056.db2.gz CUTYERLLWNDHEZ-JOCHJYFZSA-N 1 1 384.499 3.235 50 0 GGAAMO Cc1cccc2nc(C(=O)N(C)[C@H]3CCC[N@@H+](CCc4ccccc4)C3)cn21 ZINC000012434080 570661256 /nfs/dbraw/zinc/66/12/56/570661256.db2.gz LMZWMZRCNDRLSC-FQEVSTJZSA-N 1 1 376.504 3.422 50 0 GGAAMO O=C(CC[C@H]1CCC[N@H+](C2CCN(Cc3ccccn3)CC2)C1)N1CCCC1 ZINC000012436277 570662160 /nfs/dbraw/zinc/66/21/60/570662160.db2.gz MLLXLBOBEOLTOJ-HXUWFJFHSA-N 1 1 384.568 3.161 50 0 GGAAMO O=C(NCC1CCOCC1)c1cc(C[NH+]2CCC(Cc3ccccc3)CC2)on1 ZINC000012442264 570664884 /nfs/dbraw/zinc/66/48/84/570664884.db2.gz CTRCTXWBWKXKAG-UHFFFAOYSA-N 1 1 397.519 3.286 50 0 GGAAMO CCc1[nH+]ccn1CCC(=O)N1CCC[C@H](C(=O)c2ccc(OC)c(F)c2)C1 ZINC000012444720 570665460 /nfs/dbraw/zinc/66/54/60/570665460.db2.gz IVIINPZEYRZKLY-INIZCTEOSA-N 1 1 387.455 3.105 50 0 GGAAMO O=C(N[C@@H]1CCC[N@@H+](Cc2ccccc2F)C1)c1cccc(N2CCOCC2)c1 ZINC000012447944 570667186 /nfs/dbraw/zinc/66/71/86/570667186.db2.gz KGACWIILAMBLLY-HXUWFJFHSA-N 1 1 397.494 3.057 50 0 GGAAMO O=C(N[C@@H]1CCC[N@H+](Cc2ccccc2F)C1)c1cccc(N2CCOCC2)c1 ZINC000012447944 570667191 /nfs/dbraw/zinc/66/71/91/570667191.db2.gz KGACWIILAMBLLY-HXUWFJFHSA-N 1 1 397.494 3.057 50 0 GGAAMO O=C(NCc1ccccc1)[C@H]1CCC[N@H+](C2CCN(Cc3ccncc3)CC2)C1 ZINC000012448435 570667291 /nfs/dbraw/zinc/66/72/91/570667291.db2.gz XQOAWEMROWEISY-QFIPXVFZSA-N 1 1 392.547 3.074 50 0 GGAAMO O=C(N[C@H]1CCC[N@@H+](Cc2ccccc2F)C1)c1cccc(N2CCOCC2)c1 ZINC000012447945 570667324 /nfs/dbraw/zinc/66/73/24/570667324.db2.gz KGACWIILAMBLLY-FQEVSTJZSA-N 1 1 397.494 3.057 50 0 GGAAMO O=C(N[C@H]1CCC[N@H+](Cc2ccccc2F)C1)c1cccc(N2CCOCC2)c1 ZINC000012447945 570667326 /nfs/dbraw/zinc/66/73/26/570667326.db2.gz KGACWIILAMBLLY-FQEVSTJZSA-N 1 1 397.494 3.057 50 0 GGAAMO CSc1cccc(CN2CC[N@@H+](C)[C@]3(C2)CCC(=O)N(CC2CC2)CC3)c1 ZINC000230208516 570668290 /nfs/dbraw/zinc/66/82/90/570668290.db2.gz VHMLVFUZSBDUFS-JOCHJYFZSA-N 1 1 387.593 3.317 50 0 GGAAMO CC(=O)c1ccc(OCC(=O)N2CCC[C@H]([N@@H+](C)Cc3ccccc3)C2)cc1 ZINC000012457753 570669616 /nfs/dbraw/zinc/66/96/16/570669616.db2.gz HAFISCSAUDICGL-NRFANRHFSA-N 1 1 380.488 3.391 50 0 GGAAMO COc1ccccc1-n1cc(C(=O)N2CC[C@@]3(C2)CCC[N@@H+](CC2CC2)C3)cn1 ZINC000012459245 570670367 /nfs/dbraw/zinc/67/03/67/570670367.db2.gz MYIBHDLFWLMRCW-QHCPKHFHSA-N 1 1 394.519 3.219 50 0 GGAAMO Cc1cnc(C(=O)N(C)C[C@H]2CCC[N@@H+](CCc3ccc(Cl)cc3)C2)cn1 ZINC000012464507 570671065 /nfs/dbraw/zinc/67/10/65/570671065.db2.gz RRJCLMXBELWCFG-GOSISDBHSA-N 1 1 386.927 3.465 50 0 GGAAMO Cc1cnc(C(=O)N(C)C[C@@H]2CCC[N@@H+](CCc3ccc(Cl)cc3)C2)cn1 ZINC000012464505 570671078 /nfs/dbraw/zinc/67/10/78/570671078.db2.gz RRJCLMXBELWCFG-SFHVURJKSA-N 1 1 386.927 3.465 50 0 GGAAMO O=C(CN1CCCCC1=O)N1CC[C@@]2(C1)CCC[N@@H+](CCC1CCCCC1)C2 ZINC000012464489 570671174 /nfs/dbraw/zinc/67/11/74/570671174.db2.gz CKIFCRKLSYDUOZ-QHCPKHFHSA-N 1 1 389.584 3.284 50 0 GGAAMO C[C@@H](CCc1ccc(O)cc1)[NH+]1CCC(N2CCC(C(=O)NC3CC3)CC2)CC1 ZINC000012472253 570673242 /nfs/dbraw/zinc/67/32/42/570673242.db2.gz WGRCZLYWYFQYIX-SFHVURJKSA-N 1 1 399.579 3.168 50 0 GGAAMO C[C@@H](CCc1ccc(O)cc1)N1CCC([NH+]2CCC(C(=O)NC3CC3)CC2)CC1 ZINC000012472253 570673244 /nfs/dbraw/zinc/67/32/44/570673244.db2.gz WGRCZLYWYFQYIX-SFHVURJKSA-N 1 1 399.579 3.168 50 0 GGAAMO CN(C(=O)Cc1ccc2c(c1)OCO2)[C@H]1CCC[N@@H+](Cc2ccccc2F)C1 ZINC000012507484 570675106 /nfs/dbraw/zinc/67/51/06/570675106.db2.gz XZGYHADNZTYCRW-SFHVURJKSA-N 1 1 384.451 3.220 50 0 GGAAMO CN(C(=O)Cc1ccc2c(c1)OCO2)[C@@H]1CCC[N@@H+](Cc2ccccc2F)C1 ZINC000012507482 570675443 /nfs/dbraw/zinc/67/54/43/570675443.db2.gz XZGYHADNZTYCRW-GOSISDBHSA-N 1 1 384.451 3.220 50 0 GGAAMO COCCN(C[C@@H]1CCC[N@H+](C2Cc3ccccc3C2)C1)C(=O)CCSC ZINC000012507597 570675450 /nfs/dbraw/zinc/67/54/50/570675450.db2.gz FRSBLRCLNPRVTC-GOSISDBHSA-N 1 1 390.593 3.094 50 0 GGAAMO O=c1c(Cl)c(N2CC[NH+](Cc3ccccc3)CC2)cnn1-c1ccccc1 ZINC000054284425 570677344 /nfs/dbraw/zinc/67/73/44/570677344.db2.gz QKOGQAFXDWZGFP-UHFFFAOYSA-N 1 1 380.879 3.208 50 0 GGAAMO NC(=O)Cn1cc(C[N@H+](Cc2ccc(F)cc2)C[C@H]2CCCO2)c2ccccc21 ZINC000055042156 570680239 /nfs/dbraw/zinc/68/02/39/570680239.db2.gz PECIXFWSVBSYBR-HXUWFJFHSA-N 1 1 395.478 3.447 50 0 GGAAMO CC(C)NC(=O)Cn1cc(C[N@H+]2CCC[C@H]2Cn2cccn2)c2ccccc21 ZINC000055060598 570680841 /nfs/dbraw/zinc/68/08/41/570680841.db2.gz OFUYNEPRFZKMNN-IBGZPJMESA-N 1 1 379.508 3.027 50 0 GGAAMO CC(C)NC(=O)Cn1cc(C[N@H+]2CCC[C@@H]2Cn2cccn2)c2ccccc21 ZINC000055060597 570680938 /nfs/dbraw/zinc/68/09/38/570680938.db2.gz OFUYNEPRFZKMNN-LJQANCHMSA-N 1 1 379.508 3.027 50 0 GGAAMO COc1ccccc1-n1cc(-c2ccnc(NCC[C@@H]3CCC[N@H+]3C)n2)cn1 ZINC000055060935 570681146 /nfs/dbraw/zinc/68/11/46/570681146.db2.gz PCURNESJVHMDOH-KRWDZBQOSA-N 1 1 378.480 3.234 50 0 GGAAMO CCN(CC)C(=O)[C@H]1CCC[N@H+](C2CCN(c3nc4ccccc4o3)CC2)C1 ZINC000012572908 570681266 /nfs/dbraw/zinc/68/12/66/570681266.db2.gz LCYGEVLFJRWONG-KRWDZBQOSA-N 1 1 384.524 3.377 50 0 GGAAMO CC(=O)c1ccccc1C(=O)N1CCC[C@@H]([NH+]2CCN(c3ccccc3)CC2)C1 ZINC000055074163 570681824 /nfs/dbraw/zinc/68/18/24/570681824.db2.gz MQXMQMBEZJPHOT-OAQYLSRUSA-N 1 1 391.515 3.316 50 0 GGAAMO COc1ccccc1C(=O)N1CCC[C@@H]([NH+]2CCN(c3ccccc3F)CC2)C1 ZINC000055074456 570681839 /nfs/dbraw/zinc/68/18/39/570681839.db2.gz VLHJNXOGFDRDIJ-GOSISDBHSA-N 1 1 397.494 3.261 50 0 GGAAMO CCCCN(Cc1ccccc1F)C(=O)c1cnc(N2CC[NH+](C)CC2)nc1C ZINC000055088806 570682104 /nfs/dbraw/zinc/68/21/04/570682104.db2.gz DHPLTSZBKONUHV-UHFFFAOYSA-N 1 1 399.514 3.118 50 0 GGAAMO Cc1ccc(OCCc2nnc(NC(=O)c3ccc(C[NH+](C)C)o3)s2)cc1 ZINC000055099146 570682381 /nfs/dbraw/zinc/68/23/81/570682381.db2.gz PAUQKXMRWDVIPW-UHFFFAOYSA-N 1 1 386.477 3.375 50 0 GGAAMO O=C(CCc1ccc2c(c1)OCO2)N[C@@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC000012575584 570682368 /nfs/dbraw/zinc/68/23/68/570682368.db2.gz JMINPDTZTQKCQS-HXUWFJFHSA-N 1 1 380.488 3.171 50 0 GGAAMO O=C(c1cc(C2CC2)on1)N1CCC[C@@H]([NH+]2CCN(c3ccc(F)cc3)CC2)C1 ZINC000055108455 570683541 /nfs/dbraw/zinc/68/35/41/570683541.db2.gz HMSVYYSRYWACNP-LJQANCHMSA-N 1 1 398.482 3.118 50 0 GGAAMO O=C(c1cc(C2CC2)on1)N1CCC[C@H]([NH+]2CCN(c3ccc(F)cc3)CC2)C1 ZINC000055108457 570683625 /nfs/dbraw/zinc/68/36/25/570683625.db2.gz HMSVYYSRYWACNP-IBGZPJMESA-N 1 1 398.482 3.118 50 0 GGAAMO C[NH+]1CCN(NC(=O)c2cccc(COc3ccc4ccccc4c3)c2)CC1 ZINC000005659876 570684164 /nfs/dbraw/zinc/68/41/64/570684164.db2.gz YIDKDNHJWQUSRB-UHFFFAOYSA-N 1 1 375.472 3.311 50 0 GGAAMO CCC[N@H+](Cc1c(C(=O)N2CCCC2)nc2sccn12)C[C@H]1CCCO1 ZINC000055153134 570684504 /nfs/dbraw/zinc/68/45/04/570684504.db2.gz HYTQZNCMKUDXRE-OAHLLOKOSA-N 1 1 376.526 3.023 50 0 GGAAMO CCn1nc(C)cc1C(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccc(F)cc1)C2 ZINC000012581954 570684514 /nfs/dbraw/zinc/68/45/14/570684514.db2.gz TXQSNCUHUTXOBL-JOCHJYFZSA-N 1 1 384.499 3.479 50 0 GGAAMO CN(C[C@@H]1CCC[N@@H+](CCc2ccc(Cl)cc2)C1)C(=O)C1CCOCC1 ZINC000012582731 570684540 /nfs/dbraw/zinc/68/45/40/570684540.db2.gz VPOCVQVKLAGDRI-SFHVURJKSA-N 1 1 378.944 3.480 50 0 GGAAMO C[N@@H+](Cc1c[nH]nc1-c1ccc2c(c1)OCO2)Cc1ccc2nsnc2c1 ZINC000055153696 570685256 /nfs/dbraw/zinc/68/52/56/570685256.db2.gz CBTBKONFIJZQCW-UHFFFAOYSA-N 1 1 379.445 3.442 50 0 GGAAMO O=C(N[C@H]1CCC[N@@H+](Cc2ccccc2F)C1)c1cc2ccccc2oc1=O ZINC000012591820 570687537 /nfs/dbraw/zinc/68/75/37/570687537.db2.gz VPHLSBRXMIMQOU-KRWDZBQOSA-N 1 1 380.419 3.327 50 0 GGAAMO O=C(N[C@H]1CCC[N@H+](Cc2ccccc2F)C1)c1cc2ccccc2oc1=O ZINC000012591820 570687540 /nfs/dbraw/zinc/68/75/40/570687540.db2.gz VPHLSBRXMIMQOU-KRWDZBQOSA-N 1 1 380.419 3.327 50 0 GGAAMO O=C(C(=O)N1CC[C@@]2(C1)CCC[N@@H+](CCCc1ccccc1)C2)c1ccco1 ZINC000012591676 570687641 /nfs/dbraw/zinc/68/76/41/570687641.db2.gz HQFBRUZPPVYSMR-QHCPKHFHSA-N 1 1 380.488 3.410 50 0 GGAAMO CC(C)(C)C(=O)N1CCC([N@H+]2CCC[C@H](C(=O)NCCc3ccccc3)C2)CC1 ZINC000012591786 570687756 /nfs/dbraw/zinc/68/77/56/570687756.db2.gz NBOAHVDEHUSOFB-FQEVSTJZSA-N 1 1 399.579 3.094 50 0 GGAAMO NC(=O)COc1cccc(C[N@H+](Cc2ccncc2)Cc2ccc(F)cc2)c1 ZINC000055270003 570689160 /nfs/dbraw/zinc/68/91/60/570689160.db2.gz KQUCQSCGNQXHDV-UHFFFAOYSA-N 1 1 379.435 3.287 50 0 GGAAMO NC(=O)COc1cccc(C[N@@H+](Cc2ccncc2)Cc2ccc(F)cc2)c1 ZINC000055270003 570689165 /nfs/dbraw/zinc/68/91/65/570689165.db2.gz KQUCQSCGNQXHDV-UHFFFAOYSA-N 1 1 379.435 3.287 50 0 GGAAMO Cc1cc2ccccc2n1CCC(=O)N1CCC[N@H+](Cc2ccccn2)CC1 ZINC000055254455 570689239 /nfs/dbraw/zinc/68/92/39/570689239.db2.gz GQHQGULCDXBMQB-UHFFFAOYSA-N 1 1 376.504 3.469 50 0 GGAAMO Cc1cc2ccccc2n1CCC(=O)N1CCC[N@@H+](Cc2ccccn2)CC1 ZINC000055254455 570689244 /nfs/dbraw/zinc/68/92/44/570689244.db2.gz GQHQGULCDXBMQB-UHFFFAOYSA-N 1 1 376.504 3.469 50 0 GGAAMO COc1ccc(CC[N@@H+](C)[C@H]2CCCN(C(=O)/C=C/c3ccco3)C2)cc1OC ZINC000012596733 570689429 /nfs/dbraw/zinc/68/94/29/570689429.db2.gz PIIJJABQOUCRKI-JARZOMNASA-N 1 1 398.503 3.476 50 0 GGAAMO Cc1ccccc1[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)C1 ZINC000243900994 570691628 /nfs/dbraw/zinc/69/16/28/570691628.db2.gz AYEWETIHSDCTMS-MRXNPFEDSA-N 1 1 378.476 3.373 50 0 GGAAMO COc1ccc(-c2n[nH]cc2C[N@@H+](C)C[C@H]2COc3ccccc3O2)c(F)c1 ZINC000055358809 570692234 /nfs/dbraw/zinc/69/22/34/570692234.db2.gz HBBQIEWRICNXTD-INIZCTEOSA-N 1 1 383.423 3.496 50 0 GGAAMO Fc1ccc(-c2n[nH]cc2C[NH2+]Cc2nncn2CCc2ccccc2)cc1 ZINC000055358888 570692295 /nfs/dbraw/zinc/69/22/95/570692295.db2.gz HLWFQOUTWOJLFW-UHFFFAOYSA-N 1 1 376.439 3.340 50 0 GGAAMO O=C(NCC[N@@H+]1CCC[C@@H](CO)C1)c1ccccc1Cc1ccc(Cl)cc1 ZINC000055369470 570692825 /nfs/dbraw/zinc/69/28/25/570692825.db2.gz BOGGNRNGGXQTCO-GOSISDBHSA-N 1 1 386.923 3.365 50 0 GGAAMO CN1CCC([N@@H+](CCc2ccccc2)Cc2ccc(-n3cncn3)cc2)CC1 ZINC000055393218 570694444 /nfs/dbraw/zinc/69/44/44/570694444.db2.gz BQWIXRLNMWPDST-UHFFFAOYSA-N 1 1 375.520 3.406 50 0 GGAAMO COCC[N@H+]1CC[C@@H](CNC(=O)c2cc(N3CCCCC3)ccc2Cl)C1 ZINC000244718724 570695117 /nfs/dbraw/zinc/69/51/17/570695117.db2.gz LPUZTUBALATCAP-INIZCTEOSA-N 1 1 379.932 3.028 50 0 GGAAMO CCc1[nH+]ccn1CCC(=O)Nc1nnc(CCOc2cccc(C)c2)s1 ZINC000055403758 570695126 /nfs/dbraw/zinc/69/51/26/570695126.db2.gz YNRJUTNUPJLKAB-UHFFFAOYSA-N 1 1 385.493 3.256 50 0 GGAAMO COCC[N@H+]1CC[C@H](CNC(=O)c2cc(N3CCCCC3)ccc2Cl)C1 ZINC000244718725 570695329 /nfs/dbraw/zinc/69/53/29/570695329.db2.gz LPUZTUBALATCAP-MRXNPFEDSA-N 1 1 379.932 3.028 50 0 GGAAMO Cc1cc(C)cc(N2CCN(C[C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2=O)c1 ZINC000244734721 570695681 /nfs/dbraw/zinc/69/56/81/570695681.db2.gz NKRXFPPBOMWNKU-JOCHJYFZSA-N 1 1 377.532 3.474 50 0 GGAAMO O=C(NCc1ccco1)C1CC[NH+](Cc2nccn2Cc2ccccc2)CC1 ZINC000244787697 570696162 /nfs/dbraw/zinc/69/61/62/570696162.db2.gz QBWYRAWAOLBUCO-UHFFFAOYSA-N 1 1 378.476 3.053 50 0 GGAAMO COc1ccc(C(=O)[C@H]2CCC[N@@H+](Cc3cccc4nonc43)C2)c(OC)c1 ZINC000055569060 570697174 /nfs/dbraw/zinc/69/71/74/570697174.db2.gz FGJUABHKZBWWGY-HNNXBMFYSA-N 1 1 381.432 3.335 50 0 GGAAMO COc1ccc(C(=O)[C@@H]2CCC[N@@H+](Cc3cccc4nonc43)C2)c(OC)c1 ZINC000055569059 570697270 /nfs/dbraw/zinc/69/72/70/570697270.db2.gz FGJUABHKZBWWGY-OAHLLOKOSA-N 1 1 381.432 3.335 50 0 GGAAMO Cc1cc(OCc2cc(C(=O)N(C)[C@@H]3CC[N@@H+](C)C3)no2)cc(C)c1Cl ZINC000012703457 570699529 /nfs/dbraw/zinc/69/95/29/570699529.db2.gz FLFHRELRGHSOSK-CQSZACIVSA-N 1 1 377.872 3.300 50 0 GGAAMO CC(=O)NCCC(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccc(C(C)C)cc1)C2 ZINC000012709719 570702099 /nfs/dbraw/zinc/70/20/99/570702099.db2.gz UJEJFXZDNPZEMA-QHCPKHFHSA-N 1 1 385.552 3.151 50 0 GGAAMO CCOC(=O)N1CCC([N@H+]2CCC[C@H](C(=O)c3cc(F)ccc3OC)C2)CC1 ZINC000012714833 570703902 /nfs/dbraw/zinc/70/39/02/570703902.db2.gz WBQCJMKUSLQEEF-HNNXBMFYSA-N 1 1 392.471 3.350 50 0 GGAAMO CCN(C[C@H]1CCC[N@@H+](CCc2cccc(F)c2)C1)C(=O)c1cnsn1 ZINC000012718532 570705407 /nfs/dbraw/zinc/70/54/07/570705407.db2.gz ZINFWEKDWSGPFZ-INIZCTEOSA-N 1 1 376.501 3.094 50 0 GGAAMO CCc1nnc(NC(=O)CC[N@H+]2CCC[C@H](c3nc4ccccc4o3)C2)s1 ZINC000252490577 570728408 /nfs/dbraw/zinc/72/84/08/570728408.db2.gz KXDKCXSSMFUBNO-ZDUSSCGKSA-N 1 1 385.493 3.450 50 0 GGAAMO CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)c1cc(-c2cnn(C)c2)nc2ccccc21 ZINC000063846626 570751165 /nfs/dbraw/zinc/75/11/65/570751165.db2.gz MPVRVTUIZZQHAM-MRXNPFEDSA-N 1 1 377.492 3.049 50 0 GGAAMO CC[C@@H]1CN(C(=O)c2cc(-c3cnn(C)c3)nc3c(C)cccc23)CC[N@H+]1C ZINC000063846506 570751264 /nfs/dbraw/zinc/75/12/64/570751264.db2.gz WJMDLRIKBPEIDG-QGZVFWFLSA-N 1 1 377.492 3.110 50 0 GGAAMO Cn1cc(-c2cc(C(=O)N3CC[N@H+]4CCCC[C@@H]4C3)c3cc(F)ccc3n2)cn1 ZINC000063868294 570752278 /nfs/dbraw/zinc/75/22/78/570752278.db2.gz NERVXLOVIBEURB-QGZVFWFLSA-N 1 1 393.466 3.085 50 0 GGAAMO Cn1cc(-c2cc(C(=O)N3CC[N@H+]4CCCC[C@@H]4C3)c3ccc(F)cc3n2)cn1 ZINC000063870639 570752308 /nfs/dbraw/zinc/75/23/08/570752308.db2.gz HUVQZYZESRKZOL-QGZVFWFLSA-N 1 1 393.466 3.085 50 0 GGAAMO Cc1nc(NCCNC(=O)c2ccc(C(F)(F)F)cc2)cc(N2CCCC2)[nH+]1 ZINC000065364710 570761171 /nfs/dbraw/zinc/76/11/71/570761171.db2.gz GPHDUXDFNFEJNH-UHFFFAOYSA-N 1 1 393.413 3.246 50 0 GGAAMO COc1ccccc1OCC[N@H+]1CCC[C@@H](c2nc(-c3cccnc3)no2)C1 ZINC000065373374 570761946 /nfs/dbraw/zinc/76/19/46/570761946.db2.gz YPDSAXCJPSPVGX-QGZVFWFLSA-N 1 1 380.448 3.399 50 0 GGAAMO C[N@H+](CC(=O)Nc1ccc(Cl)cc1F)C[C@@H]1CC(=O)N(C2CCCC2)C1 ZINC000065374309 570762653 /nfs/dbraw/zinc/76/26/53/570762653.db2.gz PSZUVGZRLULQOV-ZDUSSCGKSA-N 1 1 381.879 3.141 50 0 GGAAMO COc1ccc(OC)c([C@H]2CC[N@@H+](Cc3nnc(-c4ccc(C)n4C)o3)C2)c1 ZINC000065381255 570762973 /nfs/dbraw/zinc/76/29/73/570762973.db2.gz XCLFMRSTUBWOKQ-HNNXBMFYSA-N 1 1 382.464 3.390 50 0 GGAAMO Cn1cnnc1Sc1ccc(C[N@H+]2CC[C@@H](c3ccc(F)cc3)[C@H](O)C2)o1 ZINC000065386172 570763907 /nfs/dbraw/zinc/76/39/07/570763907.db2.gz FNICWFUCOASJCB-DLBZAZTESA-N 1 1 388.468 3.049 50 0 GGAAMO CCn1ncnc1NC(=O)c1ccc(C[N@H+]2CCC[C@@H]2c2ccccn2)cc1 ZINC000065408556 570767118 /nfs/dbraw/zinc/76/71/18/570767118.db2.gz KODJCQOXTIGOLN-LJQANCHMSA-N 1 1 376.464 3.282 50 0 GGAAMO CCN(C(=O)CC[N@H+]1CCCN(C(=O)c2ccco2)CC1)c1ccccc1C ZINC000065425322 570767771 /nfs/dbraw/zinc/76/77/71/570767771.db2.gz LBKCZXOZEGVNTK-UHFFFAOYSA-N 1 1 383.492 3.179 50 0 GGAAMO CC(C)(C[N@H+]1CC[C@H](c2ccnc(-c3cccc(O)c3)c2)C1)N1CCOCC1 ZINC000065459013 570769453 /nfs/dbraw/zinc/76/94/53/570769453.db2.gz HONTZRKEXIWQMH-FQEVSTJZSA-N 1 1 381.520 3.354 50 0 GGAAMO Cc1c(C[N@@H+](C)Cc2ccc3nsnc3c2)c(=O)n(-c2ccccc2)n1C ZINC000065495692 570770645 /nfs/dbraw/zinc/77/06/45/570770645.db2.gz OYSRQONJGXPERK-UHFFFAOYSA-N 1 1 379.489 3.121 50 0 GGAAMO Cn1cc(NC(=O)c2cccc(C[N@@H+]3CCCC[C@@H]3c3cccnc3)c2)nn1 ZINC000065535203 570773026 /nfs/dbraw/zinc/77/30/26/570773026.db2.gz STOJLPLCOQWSLH-LJQANCHMSA-N 1 1 376.464 3.190 50 0 GGAAMO Cn1cc(NC(=O)c2cccc(C[N@H+]3CCCC[C@@H]3c3cccnc3)c2)nn1 ZINC000065535203 570773031 /nfs/dbraw/zinc/77/30/31/570773031.db2.gz STOJLPLCOQWSLH-LJQANCHMSA-N 1 1 376.464 3.190 50 0 GGAAMO COc1ccccc1NC(=S)N[C@H](C)[C@H](c1ccccc1)[NH+]1CCN(C)CC1 ZINC000022031510 570778174 /nfs/dbraw/zinc/77/81/74/570778174.db2.gz DAHNHJCGFXWVRJ-DYESRHJHSA-N 1 1 398.576 3.359 50 0 GGAAMO C[NH+](C)Cc1cncc(N2CCC[C@@H](c3n[nH]cc3-c3ccc(F)cc3)C2)n1 ZINC000067563326 570782232 /nfs/dbraw/zinc/78/22/32/570782232.db2.gz XVUWXLZFTQJEDQ-MRXNPFEDSA-N 1 1 380.471 3.451 50 0 GGAAMO COCCCN(C[C@@H]1CCC[N@H+]2CCCC[C@@H]12)C(=O)c1cnn(C(C)C)c1 ZINC000583647642 570804037 /nfs/dbraw/zinc/80/40/37/570804037.db2.gz XCMIKKRHZHVNSQ-ICSRJNTNSA-N 1 1 376.545 3.207 50 0 biogenic GGAAMO C[N@H+]1CCc2ncnc(Sc3nnc(NCc4ccc(F)cc4)s3)c2C1 ZINC000299618276 570822881 /nfs/dbraw/zinc/82/28/81/570822881.db2.gz PVZOHLJUDZSJAU-UHFFFAOYSA-N 1 1 388.497 3.218 50 0 GGAAMO CCc1c(C(=O)NCC[C@@H]2CCC[N@H+]2C)c(=O)cc(C)n1Cc1cccs1 ZINC000014973138 570867916 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3.317 50 0 GGAAMO Cc1ccc([C@H](NC(=O)N2CC[NH+](CCCCO)CC2)c2ccccc2)cc1 ZINC000534666250 570919408 /nfs/dbraw/zinc/91/94/08/570919408.db2.gz XYVQWMVNIPNAPG-JOCHJYFZSA-N 1 1 381.520 3.184 50 0 GGAAMO COc1ccc([C@@H]2[C@H]3CCCC[C@@]3(O)CC[N@@H+]2CC(=O)NCc2ccco2)cc1 ZINC000017028532 570924797 /nfs/dbraw/zinc/92/47/97/570924797.db2.gz VHXFHGSCIYIYMT-YMPZKCBVSA-N 1 1 398.503 3.273 50 0 GGAAMO COc1ccc([C@@H]2[C@H]3CCCC[C@@]3(O)CC[N@H+]2CC(=O)NCc2ccco2)cc1 ZINC000017028532 570924802 /nfs/dbraw/zinc/92/48/02/570924802.db2.gz VHXFHGSCIYIYMT-YMPZKCBVSA-N 1 1 398.503 3.273 50 0 GGAAMO C[NH+](C)C1(c2nnnn2CCOC(=O)Nc2cccc3ccccc32)CCCC1 ZINC000000869179 570930120 /nfs/dbraw/zinc/93/01/20/570930120.db2.gz MJZJQHNFHBNCAO-UHFFFAOYSA-N 1 1 394.479 3.406 50 0 GGAAMO C[N@H+](Cc1ccccc1)C[C@@H](CN1CCC(NC(N)=O)CC1)c1ccccc1 ZINC000585138625 570951306 /nfs/dbraw/zinc/95/13/06/570951306.db2.gz RGWJTGGXYSLACW-NRFANRHFSA-N 1 1 380.536 3.035 50 0 GGAAMO COc1ccc(-c2cc(C(F)F)nc(N3CC[N@H+]4CCC[C@H]4C3)n2)cc1OC 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394.519 3.178 50 0 GGAAMO CC[C@H](C)[C@H](C(=O)NC[C@H]1CCC[N@H+]2CCCC[C@H]12)N1Cc2ccccc2C1=O ZINC000252585207 570996263 /nfs/dbraw/zinc/99/62/63/570996263.db2.gz HANDTSCJNTVQLR-XHIHJMKYSA-N 1 1 397.563 3.438 50 0 biogenic GGAAMO COc1ccccc1[C@@H](CNC(=O)COc1ccc(Cl)c(C)c1)[NH+](C)C ZINC000007671226 571014830 /nfs/dbraw/zinc/01/48/30/571014830.db2.gz PGPNHINXFKEKLA-GOSISDBHSA-N 1 1 376.884 3.455 50 0 GGAAMO CN(CC1CC1)C(=O)[C@@H]1CCC[N@H+](C2CCN(CCc3ccccc3)CC2)C1 ZINC000091645478 571021865 /nfs/dbraw/zinc/02/18/65/571021865.db2.gz WOZYXUCWIFJOKW-JOCHJYFZSA-N 1 1 383.580 3.274 50 0 GGAAMO COC(=O)C1C(C[NH2+]Cc2ccc(F)cc2)=NC(=O)N[C@H]1c1cc(C)ccc1C ZINC000054979074 1406863649 /nfs/dbraw/zinc/86/36/49/1406863649.db2.gz QTPKZFAINQPMSG-FQEVSTJZSA-N 1 1 397.450 3.013 50 0 GGAAMO Cn1cc(C[N@@H+]2CCOc3ccccc3C2)c(-c2ccc3c(c2)OCCO3)n1 ZINC000055090770 1406883581 /nfs/dbraw/zinc/88/35/81/1406883581.db2.gz XARWQCWHICBJMV-UHFFFAOYSA-N 1 1 377.444 3.253 50 0 GGAAMO Cn1cc(C[N@H+]2CCOc3ccccc3C2)c(-c2ccc3c(c2)OCCO3)n1 ZINC000055090770 1406883587 /nfs/dbraw/zinc/88/35/87/1406883587.db2.gz XARWQCWHICBJMV-UHFFFAOYSA-N 1 1 377.444 3.253 50 0 GGAAMO CC[C@@]1(C(=O)OC)C[C@H](C(=O)NC2CCCC2)[C@H](c2ccc(OC)cc2)[N@@H+]1C ZINC000055107485 1406887347 /nfs/dbraw/zinc/88/73/47/1406887347.db2.gz WYLVOLXONSUHGH-IPJJNNNSSA-N 1 1 388.508 3.069 50 0 GGAAMO CC[C@@]1(C(=O)OC)C[C@H](C(=O)NC2CCCC2)[C@H](c2ccc(OC)cc2)[N@H+]1C ZINC000055107485 1406887348 /nfs/dbraw/zinc/88/73/48/1406887348.db2.gz WYLVOLXONSUHGH-IPJJNNNSSA-N 1 1 388.508 3.069 50 0 GGAAMO CCOC(=O)C1C(C[N@H+]2CCCC[C@@H]2C)=NC(=O)N[C@@H]1c1cc(C)ccc1C ZINC000055220548 1406906215 /nfs/dbraw/zinc/90/62/15/1406906215.db2.gz YHOMBZDWEQPAKY-OXJNMPFZSA-N 1 1 385.508 3.349 50 0 GGAAMO CCOC(=O)C1C(C[NH+]2CCC(C)CC2)=NC(=O)N[C@H]1c1cc(C)ccc1C ZINC000055220562 1406906509 /nfs/dbraw/zinc/90/65/09/1406906509.db2.gz CDWAOFDGNBVYJO-FQEVSTJZSA-N 1 1 385.508 3.206 50 0 GGAAMO CC[N@@H+]1CCc2c(sc(NC(=O)c3ccc4c(c3)CCCC4)c2C(N)=O)C1 ZINC000004088581 1398379890 /nfs/dbraw/zinc/37/98/90/1398379890.db2.gz XOMUUKFXYRTJGG-UHFFFAOYSA-N 1 1 383.517 3.356 50 0 GGAAMO CC[N@H+]1CCc2c(sc(NC(=O)c3ccc4c(c3)CCCC4)c2C(N)=O)C1 ZINC000004088581 1398379899 /nfs/dbraw/zinc/37/98/99/1398379899.db2.gz XOMUUKFXYRTJGG-UHFFFAOYSA-N 1 1 383.517 3.356 50 0 GGAAMO CC[C@H](Sc1nc(N)cc(N)[nH+]1)C(=O)Nc1nc(-c2ccccc2)cs1 ZINC000008814440 1398847318 /nfs/dbraw/zinc/84/73/18/1398847318.db2.gz NHDHFZMIBVHTII-LBPRGKRZSA-N 1 1 386.506 3.274 50 0 GGAAMO COc1c(C)cc(S(=O)(=O)NC[C@@H](c2ccsc2)[NH+]2CCCC2)cc1C ZINC000008900013 1398848858 /nfs/dbraw/zinc/84/88/58/1398848858.db2.gz NNLMJRIEWWESJP-SFHVURJKSA-N 1 1 394.562 3.489 50 0 GGAAMO COc1c(C)cc(S(=O)(=O)NC[C@H](c2ccsc2)[NH+]2CCCC2)cc1C ZINC000008900018 1398848909 /nfs/dbraw/zinc/84/89/09/1398848909.db2.gz NNLMJRIEWWESJP-GOSISDBHSA-N 1 1 394.562 3.489 50 0 GGAAMO Cc1ccn2cc(C(=O)N(C)[C@@H]3CCC[N@H+](C4Cc5ccccc5C4)C3)nc2c1 ZINC000011663732 1399003191 /nfs/dbraw/zinc/00/31/91/1399003191.db2.gz 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COc1cc([C@@H]2C[C@H]3CN(C4CCCC4)C(=O)[C@]34CCC[N@@H+]24)cc2c1OCO2 ZINC000012208860 1399033378 /nfs/dbraw/zinc/03/33/78/1399033378.db2.gz GCWVZUPNLRREJP-YHEJKZAPSA-N 1 1 384.476 3.104 50 0 GGAAMO CCC[N@@H+](Cc1cnc(S(=O)(=O)C[C@@H]2CCCO2)n1CC(C)C)CC1CC1 ZINC000012202564 1399033402 /nfs/dbraw/zinc/03/34/02/1399033402.db2.gz GPERJEIQRZXZPD-IBGZPJMESA-N 1 1 397.585 3.114 50 0 GGAAMO CCC[N@H+](Cc1cnc(S(=O)(=O)C[C@@H]2CCCO2)n1CC(C)C)CC1CC1 ZINC000012202564 1399033410 /nfs/dbraw/zinc/03/34/10/1399033410.db2.gz GPERJEIQRZXZPD-IBGZPJMESA-N 1 1 397.585 3.114 50 0 GGAAMO O[C@@H](COc1ccccc1CNC1(c2ccccc2)CC1)C[NH+]1CCSCC1 ZINC000012201667 1399033499 /nfs/dbraw/zinc/03/34/99/1399033499.db2.gz MYIGETUDNRDZKZ-OAQYLSRUSA-N 1 1 398.572 3.254 50 0 GGAAMO CCC[N@@H+](Cc1cnc(S(=O)(=O)C[C@H]2CCCO2)n1CC(C)C)CC1CC1 ZINC000012202568 1399033634 /nfs/dbraw/zinc/03/36/34/1399033634.db2.gz GPERJEIQRZXZPD-LJQANCHMSA-N 1 1 397.585 3.114 50 0 GGAAMO CCC[N@H+](Cc1cnc(S(=O)(=O)C[C@H]2CCCO2)n1CC(C)C)CC1CC1 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HBTYQBJYTWHVQE-SFHVURJKSA-N 1 1 384.549 3.258 50 0 GGAAMO CC(=O)Nc1ccc2c(c1)nc1n2CCN(C[C@@H]2CCC[N@H+]3CCCC[C@@H]23)C1 ZINC000020762421 1399353042 /nfs/dbraw/zinc/35/30/42/1399353042.db2.gz RKBQDLCMQFHCOX-PXNSSMCTSA-N 1 1 381.524 3.075 50 0 biogenic GGAAMO OCC[C@H]1CN(Cc2cccc3cnccc32)CC[N@H+]1CCc1ccccc1 ZINC000020908844 1399356764 /nfs/dbraw/zinc/35/67/64/1399356764.db2.gz MHJXOBWEFUDAKV-QHCPKHFHSA-N 1 1 375.516 3.346 50 0 GGAAMO OCC[C@H]1C[N@H+](Cc2cccc3cnccc32)CCN1CCc1ccccc1 ZINC000020908844 1399356767 /nfs/dbraw/zinc/35/67/67/1399356767.db2.gz MHJXOBWEFUDAKV-QHCPKHFHSA-N 1 1 375.516 3.346 50 0 GGAAMO OCC[C@H]1C[N@@H+](Cc2cccc3cnccc32)CCN1CCc1ccccc1 ZINC000020908844 1399356774 /nfs/dbraw/zinc/35/67/74/1399356774.db2.gz MHJXOBWEFUDAKV-QHCPKHFHSA-N 1 1 375.516 3.346 50 0 GGAAMO CCOc1ccc(C(=O)N[C@@H](C)[C@@H](c2cccs2)N2CC[NH+](C)CC2)cc1 ZINC000022459979 1399465622 /nfs/dbraw/zinc/46/56/22/1399465622.db2.gz DONPBWVNCQGRQV-JXFKEZNVSA-N 1 1 387.549 3.254 50 0 GGAAMO CCOc1ccc(C(=O)N[C@@H](C)[C@H](c2cccs2)N2CC[NH+](C)CC2)cc1 ZINC000022459989 1399465670 /nfs/dbraw/zinc/46/56/70/1399465670.db2.gz DONPBWVNCQGRQV-OXJNMPFZSA-N 1 1 387.549 3.254 50 0 GGAAMO C[NH+]1CCN(CC(=O)N2CCC[C@H](c3ccc(F)cc3)c3ccc(F)cc32)CC1 ZINC000022595571 1399481299 /nfs/dbraw/zinc/48/12/99/1399481299.db2.gz VOODNQUNWPBOKM-HXUWFJFHSA-N 1 1 399.485 3.471 50 0 GGAAMO CCn1cc(C[N@H+]2CCC[C@H](N3CCc4cc(OC)c(OC)cc4C3)C2)c(C)n1 ZINC000022912063 1399516683 /nfs/dbraw/zinc/51/66/83/1399516683.db2.gz PZIKXJIEEDDTHF-NRFANRHFSA-N 1 1 398.551 3.251 50 0 GGAAMO CCn1cc(CN2CCC[C@H]([N@@H+]3CCc4cc(OC)c(OC)cc4C3)C2)c(C)n1 ZINC000022912063 1399516686 /nfs/dbraw/zinc/51/66/86/1399516686.db2.gz PZIKXJIEEDDTHF-NRFANRHFSA-N 1 1 398.551 3.251 50 0 GGAAMO CCn1cc(CN2CCC[C@H]([N@H+]3CCc4cc(OC)c(OC)cc4C3)C2)c(C)n1 ZINC000022912063 1399516692 /nfs/dbraw/zinc/51/66/92/1399516692.db2.gz PZIKXJIEEDDTHF-NRFANRHFSA-N 1 1 398.551 3.251 50 0 GGAAMO CN1CCN(C(=O)c2ccc([C@H]3CCC[N@H+]3CCc3ccccc3)s2)CC1=O ZINC000023159405 1399536077 /nfs/dbraw/zinc/53/60/77/1399536077.db2.gz YYSNZKYAHFGNBP-GOSISDBHSA-N 1 1 397.544 3.042 50 0 GGAAMO O=C(Nc1ccnn1C1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1)C1CC1 ZINC000023361264 1399553011 /nfs/dbraw/zinc/55/30/11/1399553011.db2.gz UEYRGTMZMQXZLA-OAQYLSRUSA-N 1 1 393.535 3.143 50 0 GGAAMO O=C(Nc1ccnn1C1CC[NH+]([C@@H]2CCN(Cc3ccccc3)C2)CC1)C1CC1 ZINC000023361264 1399553014 /nfs/dbraw/zinc/55/30/14/1399553014.db2.gz UEYRGTMZMQXZLA-OAQYLSRUSA-N 1 1 393.535 3.143 50 0 GGAAMO C[C@H]1C[N@@H+](C)CCCN1Cc1ccccc1-c1nc(-c2cccnc2)cc(=O)[nH]1 ZINC000023398869 1399556960 /nfs/dbraw/zinc/55/69/60/1399556960.db2.gz LBLNETMRONAJIA-KRWDZBQOSA-N 1 1 389.503 3.025 50 0 GGAAMO C[C@H]1CN(C)CCC[N@@H+]1Cc1ccccc1-c1nc(-c2cccnc2)cc(=O)[nH]1 ZINC000023398869 1399556963 /nfs/dbraw/zinc/55/69/63/1399556963.db2.gz LBLNETMRONAJIA-KRWDZBQOSA-N 1 1 389.503 3.025 50 0 GGAAMO C[C@H]1CN(C)CCC[N@H+]1Cc1ccccc1-c1nc(-c2cccnc2)cc(=O)[nH]1 ZINC000023398869 1399556968 /nfs/dbraw/zinc/55/69/68/1399556968.db2.gz LBLNETMRONAJIA-KRWDZBQOSA-N 1 1 389.503 3.025 50 0 GGAAMO Cn1cc(C[N@H+]2CCC[C@H](CCC(=O)NCc3ccc(F)c(F)c3)C2)cn1 ZINC000023478411 1399563473 /nfs/dbraw/zinc/56/34/73/1399563473.db2.gz LHHXLJGIJYQBHO-OAHLLOKOSA-N 1 1 376.451 3.007 50 0 GGAAMO Cc1cc(=O)[nH]c(-c2ccccc2C[N@@H+](C)C[C@H]2COc3ccccc3O2)n1 ZINC000023505925 1399566479 /nfs/dbraw/zinc/56/64/79/1399566479.db2.gz AYVVDDIIGLACQC-KRWDZBQOSA-N 1 1 377.444 3.017 50 0 GGAAMO Cc1ncc(C[N@H+]2CCC[C@H]2c2ccc(C(=O)Nc3cnn(C)n3)s2)s1 ZINC000023581516 1399571789 /nfs/dbraw/zinc/57/17/89/1399571789.db2.gz FDCLMZKKXJKCLG-ZDUSSCGKSA-N 1 1 388.522 3.231 50 0 GGAAMO Cc1ncc(C[N@@H+]2CCC[C@H]2c2ccc(C(=O)Nc3cnn(C)n3)s2)s1 ZINC000023581516 1399571791 /nfs/dbraw/zinc/57/17/91/1399571791.db2.gz FDCLMZKKXJKCLG-ZDUSSCGKSA-N 1 1 388.522 3.231 50 0 GGAAMO O=C(NC1CC1)C1CCN(C2CC[NH+](C3C4CC5CC(C4)CC3C5)CC2)CC1 ZINC000043000169 1403687399 /nfs/dbraw/zinc/68/73/99/1403687399.db2.gz QVTBDMZDBLWDNW-UHFFFAOYSA-N 1 1 385.596 3.266 50 0 GGAAMO COc1ccc(-c2cc(=O)[nH]c(-c3ccccc3C[N@H+]3CCCOCC3)n2)cc1 ZINC000048501620 1405209688 /nfs/dbraw/zinc/20/96/88/1405209688.db2.gz UGJCCYWNLGUQLM-UHFFFAOYSA-N 1 1 391.471 3.335 50 0 GGAAMO CC[NH+]1CCN(C(=O)c2cc(C(C)C)n(-c3nc4ccccc4s3)n2)CC1 ZINC000056942104 1407479651 /nfs/dbraw/zinc/47/96/51/1407479651.db2.gz HXVBLMMIMTVIOE-UHFFFAOYSA-N 1 1 383.521 3.383 50 0 GGAAMO CCOc1ccc(C(=O)NCC[NH+]2CCN(c3ccccc3)CC2)cc1OCC ZINC000056997120 1407495425 /nfs/dbraw/zinc/49/54/25/1407495425.db2.gz AFBKSABRLITCJT-UHFFFAOYSA-N 1 1 397.519 3.036 50 0 GGAAMO COc1ccc(NC(=O)[C@H]2C[C@@H]3CCC[N@@H+]3[C@]23C(=O)Nc2ccc(F)cc23)cc1 ZINC000057099736 1407519827 /nfs/dbraw/zinc/51/98/27/1407519827.db2.gz LGFBZUVVFFGNGT-REDKUUPNSA-N 1 1 395.434 3.105 50 0 GGAAMO COc1ccc(NC(=O)[C@H]2C[C@@H]3CCC[N@H+]3[C@]23C(=O)Nc2ccc(F)cc23)cc1 ZINC000057099736 1407519831 /nfs/dbraw/zinc/51/98/31/1407519831.db2.gz LGFBZUVVFFGNGT-REDKUUPNSA-N 1 1 395.434 3.105 50 0 GGAAMO COC(=O)C1=C(C[N@H+](C)Cc2ccccc2)NC(=O)N[C@H]1c1ccccc1Cl ZINC000057414891 1407611258 /nfs/dbraw/zinc/61/12/58/1407611258.db2.gz PBIREVUAJVNGPC-IBGZPJMESA-N 1 1 399.878 3.253 50 0 GGAAMO COC(=O)C1=C(C[N@@H+](C)Cc2ccccc2)NC(=O)N[C@H]1c1ccccc1Cl ZINC000057414891 1407611266 /nfs/dbraw/zinc/61/12/66/1407611266.db2.gz PBIREVUAJVNGPC-IBGZPJMESA-N 1 1 399.878 3.253 50 0 GGAAMO COC(=O)C1C(C[N@H+](C)Cc2ccccc2)=NC(=O)N[C@@H]1c1cccc(Cl)c1 ZINC000057415030 1407611323 /nfs/dbraw/zinc/61/13/23/1407611323.db2.gz CZXCTNPFQULKSD-LJQANCHMSA-N 1 1 399.878 3.253 50 0 GGAAMO COC(=O)C1C(C[N@@H+](C)Cc2ccccc2)=NC(=O)N[C@@H]1c1cccc(Cl)c1 ZINC000057415030 1407611333 /nfs/dbraw/zinc/61/13/33/1407611333.db2.gz CZXCTNPFQULKSD-LJQANCHMSA-N 1 1 399.878 3.253 50 0 GGAAMO Cc1cc(Cl)ccc1-n1nc(CC(C)C)nc1C[C@@H]1C[N@@H+](C)CCN1C ZINC000065376481 1408664162 /nfs/dbraw/zinc/66/41/62/1408664162.db2.gz QMGRSUJYOXRFTF-QGZVFWFLSA-N 1 1 375.948 3.216 50 0 GGAAMO CC(C)[C@H](n1nnc2ccccc21)[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000067739276 1409218771 /nfs/dbraw/zinc/21/87/71/1409218771.db2.gz CVBPYTAAWJGSRE-FQEVSTJZSA-N 1 1 380.452 3.316 50 0 GGAAMO COc1ccc(C2(C(=O)NC[C@@H]3CCC[N@H+]4CCCC[C@H]34)CCOCC2)cc1 ZINC000079190670 1409962098 /nfs/dbraw/zinc/96/20/98/1409962098.db2.gz YRQHCXSQBVFHCJ-GHTZIAJQSA-N 1 1 386.536 3.124 50 0 biogenic GGAAMO O=c1[nH]c(-c2cccc(C[N@@H+]3CC[C@@](O)(c4ccccc4)C3)c2)nc2c1CCC2 ZINC000082039525 1410026165 /nfs/dbraw/zinc/02/61/65/1410026165.db2.gz XXBZCMOBBQYRRM-DEOSSOPVSA-N 1 1 387.483 3.019 50 0 GGAAMO C[N@@H+]1CCc2nc[nH]c2C12CCN(Cc1cnc(C3CCCCC3)nc1)CC2 ZINC000091289599 1410072518 /nfs/dbraw/zinc/07/25/18/1410072518.db2.gz RCUQGJYUILPENQ-UHFFFAOYSA-N 1 1 380.540 3.227 50 0 GGAAMO C[N@H+]1CCc2nc[nH]c2C12CCN(Cc1cnc(C3CCCCC3)nc1)CC2 ZINC000091289599 1410072521 /nfs/dbraw/zinc/07/25/21/1410072521.db2.gz RCUQGJYUILPENQ-UHFFFAOYSA-N 1 1 380.540 3.227 50 0 GGAAMO O=C(Cc1[nH]nc2ccccc21)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000101531535 1410451021 /nfs/dbraw/zinc/45/10/21/1410451021.db2.gz YDJBJAZGNRLJAR-UHFFFAOYSA-N 1 1 376.504 3.273 50 0 GGAAMO Cc1[nH+]ccn1CC[C@@H]1CCCCN1C(=O)c1cn2c3c(cccc3c1=O)CC2 ZINC000219546181 1433365354 /nfs/dbraw/zinc/36/53/54/1433365354.db2.gz NGUOTJJDLANWOB-SFHVURJKSA-N 1 1 390.487 3.148 50 0 GGAAMO COc1ccc(C(=O)NC[C@@H]2CCC[N@H+]3CCCC[C@@H]23)cc1-n1nc(C)cc1C ZINC000226848119 1433368883 /nfs/dbraw/zinc/36/88/83/1433368883.db2.gz LJJRZIPZDWKLFW-PMACEKPBSA-N 1 1 396.535 3.492 50 0 biogenic GGAAMO O=C(CCC[NH+]1CCN(Cc2ccccc2)CC1)c1ccc2c(c1)OCCO2 ZINC000227144420 1433369431 /nfs/dbraw/zinc/36/94/31/1433369431.db2.gz LBIYRGMLBDLLGO-UHFFFAOYSA-N 1 1 380.488 3.239 50 0 GGAAMO O=C(CCCc1nc2ccccc2c(=O)[nH]1)NC[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000230000298 1433372230 /nfs/dbraw/zinc/37/22/30/1433372230.db2.gz FFEYSIPRSWWECA-LPHOPBHVSA-N 1 1 382.508 3.039 50 0 GGAAMO COc1ccc(-c2n[nH]cc2C(=O)NC[C@@H]2CCC[N@H+]3CCCC[C@@H]23)cc1OC ZINC000230208970 1433372728 /nfs/dbraw/zinc/37/27/28/1433372728.db2.gz YHPWCOWFBXAUTA-WMZOPIPTSA-N 1 1 398.507 3.088 50 0 biogenic GGAAMO COc1ccc(-c2n[nH]cc2C(=O)NC[C@H]2CCC[N@H+]3CCCC[C@@H]23)c(OC)c1 ZINC000230205564 1433372739 /nfs/dbraw/zinc/37/27/39/1433372739.db2.gz YUXAODGCWGZBGA-BEFAXECRSA-N 1 1 398.507 3.088 50 0 biogenic GGAAMO CC[C@H](C)[C@H](NC(=O)[C@H]1Cc2ccccc2C[NH2+]1)C(=O)Nc1ccc(C)cc1 ZINC000253483613 1433868030 /nfs/dbraw/zinc/86/80/30/1433868030.db2.gz CIURKCQXEYADEO-DQLDELGASA-N 1 1 379.504 3.179 50 0 GGAAMO CC[C@H](C)[C@@H](NC(=O)[C@H]1Cc2ccccc2C[NH2+]1)C(=O)Nc1ccc(C)cc1 ZINC000253483614 1433868052 /nfs/dbraw/zinc/86/80/52/1433868052.db2.gz CIURKCQXEYADEO-ZLGUVYLKSA-N 1 1 379.504 3.179 50 0 GGAAMO CCOC(=O)N1CC[NH+](C[C@@H]2C(=O)O[C@@H]3C[C@]4(C)CCC[C@H](C)C4=C[C@H]23)CC1 ZINC000253487651 1433868054 /nfs/dbraw/zinc/86/80/54/1433868054.db2.gz NGNDKPBQSHRIRV-JFVFVSPTSA-N 1 1 390.524 3.075 50 0 GGAAMO CC(C)C[C@H](NC(=O)[C@H]1Cc2ccccc2C[NH2+]1)C(=O)N[C@H](C)c1ccccc1 ZINC000253487779 1433868096 /nfs/dbraw/zinc/86/80/96/1433868096.db2.gz QCGAHBJAJFJKIV-YHYVQYDKSA-N 1 1 393.531 3.109 50 0 GGAAMO CC[C@H](C)[C@H](NC(=O)[C@H]1Cc2ccccc2C[NH2+]1)C(=O)N[C@@H](C)c1ccccc1 ZINC000253487706 1433868212 /nfs/dbraw/zinc/86/82/12/1433868212.db2.gz OILOJSRFFAWWFA-QPAOKJHLSA-N 1 1 393.531 3.109 50 0 GGAAMO CC[C@@H]1CN(C(=O)c2cccc(-c3ccccc3C(N)=O)c2)CC[N@H+]1C(C)C ZINC000426486127 529381375 /nfs/dbraw/zinc/38/13/75/529381375.db2.gz YOKRCMVDXPAMPV-LJQANCHMSA-N 1 1 379.504 3.397 50 0 GGAAMO Cc1ccc(C(=O)N2C[C@H](c3cc(F)cc(F)c3)[C@@H]3[C@H]2C2CC[NH+]3CC2)cn1 ZINC000095357280 230977900 /nfs/dbraw/zinc/97/79/00/230977900.db2.gz PDNPTJMKVYCLLO-NJDAHSKKSA-N 1 1 383.442 3.371 50 0 GGAAMO O=C(NCc1cnn(Cc2ccccc2)c1)N1CCC[N@H+](C2CCCCC2)CC1 ZINC000426424372 231219969 /nfs/dbraw/zinc/21/99/69/231219969.db2.gz PWZFMGXNPRNENI-UHFFFAOYSA-N 1 1 395.551 3.481 50 0 GGAAMO CN(Cc1cc(-c2cccs2)n[nH]1)C(=O)[C@@H](c1ccc2c(c1)OCO2)[NH+](C)C ZINC000426358684 231207101 /nfs/dbraw/zinc/20/71/01/231207101.db2.gz XEDFEFHXXZYEPV-LJQANCHMSA-N 1 1 398.488 3.128 50 0 GGAAMO O=C(NCC1([NH+]2CCOCC2)CCCCC1)N1CCCC[C@@H]1c1cccnc1 ZINC000426360145 231208716 /nfs/dbraw/zinc/20/87/16/231208716.db2.gz LAKAMMJECCEMBV-HXUWFJFHSA-N 1 1 386.540 3.353 50 0 GGAAMO O=C(NC[C@H]1CCC[N@@H+](CCc2ccccc2)C1)N1CC(c2ccncc2)C1 ZINC000426386943 231212555 /nfs/dbraw/zinc/21/25/55/231212555.db2.gz RRVQHMMDWDDNQW-HXUWFJFHSA-N 1 1 378.520 3.145 50 0 GGAAMO O=C(N[C@H]1CC[N@@H+](Cc2ccccc2)C1)N1CC(OCc2ccccc2F)C1 ZINC000426489586 231227728 /nfs/dbraw/zinc/22/77/28/231227728.db2.gz HAIAGGLMASECNA-IBGZPJMESA-N 1 1 383.467 3.011 50 0 GGAAMO C[C@H](c1ccc(-c2nc(N(C)C)n(Cc3ccccc3)n2)cc1)[NH+]1CCOCC1 ZINC000426530394 231235582 /nfs/dbraw/zinc/23/55/82/231235582.db2.gz JQDDJJJJMZYPRC-GOSISDBHSA-N 1 1 391.519 3.453 50 0 GGAAMO Cc1cc(C(=O)N2CC[C@]3(C2)CCC[N@@H+](CC2CC2)C3)cc2sc(N)nc21 ZINC000426465547 231223372 /nfs/dbraw/zinc/22/33/72/231223372.db2.gz ZYADOBBLDJBOAT-OAQYLSRUSA-N 1 1 384.549 3.355 50 0 GGAAMO Cc1[nH+]ccn1C[C@H]1CCCN(C(=O)NCc2cc(-c3ccccc3)no2)C1 ZINC000426662060 231250058 /nfs/dbraw/zinc/25/00/58/231250058.db2.gz 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CC(C)Cc1cc(C(=O)N(C)[C@@H]2CCC[N@@H+](Cc3ccccc3F)C2)n(C)n1 ZINC000011714085 221122993 /nfs/dbraw/zinc/12/29/93/221122993.db2.gz LEQCBUILKJSGLU-LJQANCHMSA-N 1 1 386.515 3.494 50 0 GGAAMO CN(C(=O)c1cc(-c2cccn2C)n[nH]1)[C@@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC000011933700 221137763 /nfs/dbraw/zinc/13/77/63/221137763.db2.gz HDHNMLHQALDHIT-LJQANCHMSA-N 1 1 391.519 3.194 50 0 GGAAMO CCc1[nH+]ccn1CCC(=O)N1CCC[C@@H](C(=O)c2cc(F)ccc2OC)C1 ZINC000011935477 221138612 /nfs/dbraw/zinc/13/86/12/221138612.db2.gz IFZULJPPNXVOEH-OAHLLOKOSA-N 1 1 387.455 3.105 50 0 GGAAMO O=C(NCc1ccccn1)[C@@H]1CCCN(C2CC[NH+](CC3CCCCC3)CC2)C1 ZINC000011938045 221138786 /nfs/dbraw/zinc/13/87/86/221138786.db2.gz MTMLEPYTSCIXEB-OAQYLSRUSA-N 1 1 398.595 3.455 50 0 GGAAMO Cc1cccc(C[N@H+]2CCC[C@@H](C(=O)Nc3cccc(-n4cccn4)c3)C2)n1 ZINC000011935014 221138922 /nfs/dbraw/zinc/13/89/22/221138922.db2.gz QMIVORYJRPHTRD-GOSISDBHSA-N 1 1 375.476 3.426 50 0 GGAAMO C[N@@H+](CCc1ccccn1)[C@@H]1CCCN(C(=O)c2ccccc2-n2cccn2)C1 ZINC000011935004 221139486 /nfs/dbraw/zinc/13/94/86/221139486.db2.gz QXIOVZZAHACGTO-HXUWFJFHSA-N 1 1 389.503 3.046 50 0 GGAAMO Cc1ncc(C[NH2+]Cc2cccnc2N2CCN(c3ccccc3C)CC2)n1C ZINC000011935125 221139821 /nfs/dbraw/zinc/13/98/21/221139821.db2.gz BYDNCIGREJCNNT-UHFFFAOYSA-N 1 1 390.535 3.048 50 0 GGAAMO COc1ccccc1CC[N@H+]1CCC[C@@H](CN(C)C(=O)CCn2ccc(C)n2)C1 ZINC000011955664 221140846 /nfs/dbraw/zinc/14/08/46/221140846.db2.gz FTLBGKXPBPOVHQ-FQEVSTJZSA-N 1 1 398.551 3.003 50 0 GGAAMO Cn1cc(CN2CCOc3ccc([C@](C)(O)C[NH+](C)C)cc3C2)c2ccccc21 ZINC000011976134 221141362 /nfs/dbraw/zinc/14/13/62/221141362.db2.gz DRQLKKFQEOFQCU-XMMPIXPASA-N 1 1 393.531 3.342 50 0 GGAAMO CC(C)(C)CC(=O)N1CCC([N@H+]2CCC[C@H](C(=O)NCc3ccccc3)C2)CC1 ZINC000012003344 221141630 /nfs/dbraw/zinc/14/16/30/221141630.db2.gz HDCGKEFHIMFPJB-FQEVSTJZSA-N 1 1 399.579 3.442 50 0 GGAAMO COc1cc(OC)cc(C(=O)NC[C@@H]2CCC[N@@H+](Cc3cnc(C)s3)C2)c1 ZINC000011999247 221142005 /nfs/dbraw/zinc/14/20/05/221142005.db2.gz VOSDFSYZYZATBZ-HNNXBMFYSA-N 1 1 389.521 3.111 50 0 GGAAMO COc1cccc(C(=O)NC[C@@H]2CCC[N@@H+](Cc3cnc(C)s3)C2)c1OC ZINC000012001879 221142465 /nfs/dbraw/zinc/14/24/65/221142465.db2.gz ONKVGONZQODBKY-HNNXBMFYSA-N 1 1 389.521 3.111 50 0 GGAAMO O=C(CCn1cccn1)N1CC[C@@]2(C1)CCC[N@@H+](Cc1cccc(F)c1F)C2 ZINC000012027994 221142855 /nfs/dbraw/zinc/14/28/55/221142855.db2.gz ITFZLXOOMRKTCK-NRFANRHFSA-N 1 1 388.462 3.066 50 0 GGAAMO O=C(CCn1cccn1)N1CC[C@@]2(C1)CCC[N@H+](Cc1cccc(F)c1F)C2 ZINC000012027994 221142858 /nfs/dbraw/zinc/14/28/58/221142858.db2.gz ITFZLXOOMRKTCK-NRFANRHFSA-N 1 1 388.462 3.066 50 0 GGAAMO O=C(c1cc(F)ccc1F)[C@@H]1CCC[N@@H+](Cc2ccc(OCCO)cc2)C1 ZINC000012030733 221143431 /nfs/dbraw/zinc/14/34/31/221143431.db2.gz VXVBTUJIGFHJIM-MRXNPFEDSA-N 1 1 375.415 3.431 50 0 GGAAMO O=C(c1cc(F)ccc1F)[C@@H]1CCC[N@H+](Cc2ccc(OCCO)cc2)C1 ZINC000012030733 221143433 /nfs/dbraw/zinc/14/34/33/221143433.db2.gz VXVBTUJIGFHJIM-MRXNPFEDSA-N 1 1 375.415 3.431 50 0 GGAAMO COc1ccc2c(c1)O[C@H](C)C[N@H+](CCC(=O)NCc1cc(F)ccc1C)C2 ZINC000012024843 221143444 /nfs/dbraw/zinc/14/34/44/221143444.db2.gz IJDLGUVRAJBYPY-MRXNPFEDSA-N 1 1 386.467 3.432 50 0 GGAAMO O=C(CCn1cccn1)N1CC[C@]2(C1)CCC[N@@H+](Cc1cccc(F)c1F)C2 ZINC000012027990 221143496 /nfs/dbraw/zinc/14/34/96/221143496.db2.gz ITFZLXOOMRKTCK-OAQYLSRUSA-N 1 1 388.462 3.066 50 0 GGAAMO O=C(CCn1cccn1)N1CC[C@]2(C1)CCC[N@H+](Cc1cccc(F)c1F)C2 ZINC000012027990 221143499 /nfs/dbraw/zinc/14/34/99/221143499.db2.gz ITFZLXOOMRKTCK-OAQYLSRUSA-N 1 1 388.462 3.066 50 0 GGAAMO O=C(NC1CCCCCCC1)[C@H]1CCC[N@H+](C2CCN(C(=O)C3CC3)CC2)C1 ZINC000012027030 221144102 /nfs/dbraw/zinc/14/41/02/221144102.db2.gz BPTGDSGZWWSPJF-IBGZPJMESA-N 1 1 389.584 3.329 50 0 GGAAMO CCCc1cc(CNC(=O)c2ccc(N3CC[N@@H+](C(C)C)[C@@H](CC)C3)nc2)on1 ZINC000012049776 221144628 /nfs/dbraw/zinc/14/46/28/221144628.db2.gz VVQKBNWKVJMFNK-IBGZPJMESA-N 1 1 399.539 3.261 50 0 GGAAMO C[C@H](Cc1ccc2c(c1)OCO2)C[N@@H+]1CCc2nnc(-c3ccccc3)n2CC1 ZINC000012039077 221144830 /nfs/dbraw/zinc/14/48/30/221144830.db2.gz WPCIZIIQGALCKO-QGZVFWFLSA-N 1 1 390.487 3.411 50 0 GGAAMO OCC1CCN(c2ncc3c(n2)CCC[C@H]3[NH2+]Cc2cccc(F)c2F)CC1 ZINC000012054318 221145808 /nfs/dbraw/zinc/14/58/08/221145808.db2.gz DUFHZLGDZZASNQ-GOSISDBHSA-N 1 1 388.462 3.131 50 0 GGAAMO CCOC(=O)C1(CCOC)CC[NH+](Cc2cc(OC)c(O)cc2Cl)CC1 ZINC000012073323 221147077 /nfs/dbraw/zinc/14/70/77/221147077.db2.gz OMADUGCLCPZGJP-UHFFFAOYSA-N 1 1 385.888 3.236 50 0 GGAAMO CC[C@H]1C[N@H+](CCNC(=O)c2ccnc(Cl)c2)Cc2cc(OC)ccc2O1 ZINC000012078333 221147818 /nfs/dbraw/zinc/14/78/18/221147818.db2.gz JMAYJUHBTATDPG-INIZCTEOSA-N 1 1 389.883 3.147 50 0 GGAAMO CC[C@H]1C[N@@H+](CCNC(=O)c2ccnc(Cl)c2)Cc2cc(OC)ccc2O1 ZINC000012078333 221147822 /nfs/dbraw/zinc/14/78/22/221147822.db2.gz JMAYJUHBTATDPG-INIZCTEOSA-N 1 1 389.883 3.147 50 0 GGAAMO O=C(NCC1CC1)C1CC[NH+](C2CCN(CCCc3ccccc3)CC2)CC1 ZINC000012076792 221148540 /nfs/dbraw/zinc/14/85/40/221148540.db2.gz JMWQBKONBNDEPO-UHFFFAOYSA-N 1 1 383.580 3.322 50 0 GGAAMO CC(=O)CCC(=O)N(CCN1CCCCC1)C[C@H]1CCC[N@@H+](C2CCCC2)C1 ZINC000012074973 221148682 /nfs/dbraw/zinc/14/86/82/221148682.db2.gz DZRZZEWYPCEMST-NRFANRHFSA-N 1 1 391.600 3.325 50 0 GGAAMO CC(=O)CCC(=O)N(CCN1CCCCC1)C[C@H]1CCC[N@H+](C2CCCC2)C1 ZINC000012074973 221148683 /nfs/dbraw/zinc/14/86/83/221148683.db2.gz DZRZZEWYPCEMST-NRFANRHFSA-N 1 1 391.600 3.325 50 0 GGAAMO CC[C@@H]1C[N@H+](CCNC(=O)COc2ccc(C)cc2)Cc2cc(OC)ccc2O1 ZINC000012098886 221151204 /nfs/dbraw/zinc/15/12/04/221151204.db2.gz QVQDKIHUIRFAEY-LJQANCHMSA-N 1 1 398.503 3.172 50 0 GGAAMO CC[C@@H]1C[N@@H+](CCNC(=O)COc2ccc(C)cc2)Cc2cc(OC)ccc2O1 ZINC000012098886 221151213 /nfs/dbraw/zinc/15/12/13/221151213.db2.gz QVQDKIHUIRFAEY-LJQANCHMSA-N 1 1 398.503 3.172 50 0 GGAAMO CCCC[C@H]1C[N@@H+](CCC(=O)NCCCn2cccn2)Cc2ccccc2O1 ZINC000012126381 221156364 /nfs/dbraw/zinc/15/63/64/221156364.db2.gz WQRJMGYHYDHKSP-FQEVSTJZSA-N 1 1 384.524 3.233 50 0 GGAAMO CC[C@H]1C[N@H+](CCNC(=O)CCc2cccs2)Cc2cc(OC)ccc2O1 ZINC000012131682 221157462 /nfs/dbraw/zinc/15/74/62/221157462.db2.gz WZSABKWCLVMZMG-KRWDZBQOSA-N 1 1 388.533 3.479 50 0 GGAAMO CC[C@H]1C[N@@H+](CCNC(=O)CCc2cccs2)Cc2cc(OC)ccc2O1 ZINC000012131682 221157466 /nfs/dbraw/zinc/15/74/66/221157466.db2.gz WZSABKWCLVMZMG-KRWDZBQOSA-N 1 1 388.533 3.479 50 0 GGAAMO O=C(NC1CC1)c1cn(CC[C@H]2CCCC[N@H+]2C/C=C/c2ccccc2)nn1 ZINC000012148752 221160407 /nfs/dbraw/zinc/16/04/07/221160407.db2.gz ZIODJKOKADZCHN-AQDCRGGLSA-N 1 1 379.508 3.128 50 0 GGAAMO Cc1[nH+]ccn1-c1ccc(NC(=O)[C@@H]2CCCN2C(=O)c2cccc(C)n2)cc1 ZINC000012297808 221175412 /nfs/dbraw/zinc/17/54/12/221175412.db2.gz PHQJWRZGBCTXFV-FQEVSTJZSA-N 1 1 389.459 3.127 50 0 GGAAMO COc1ccc2c(C)c(CC(=O)NC[C@@H]3CCC[N@H+]4CCCC[C@H]34)c(=O)oc2c1 ZINC000012296646 221175599 /nfs/dbraw/zinc/17/55/99/221175599.db2.gz HUVRKZCEPVFQRB-OXJNMPFZSA-N 1 1 398.503 3.033 50 0 biogenic GGAAMO CCN(C[C@@H]1CCC[N@@H+](CCc2cccc(OC)c2)C1)C(=O)CCc1cn[nH]c1 ZINC000012298987 221176300 /nfs/dbraw/zinc/17/63/00/221176300.db2.gz KJJLJQFOHJHYDT-OAQYLSRUSA-N 1 1 398.551 3.154 50 0 GGAAMO Cn1cc(C[N@H+]2CCC[C@@H](C(=O)Nc3ccccc3Oc3cccnc3)C2)cn1 ZINC000012305502 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/nfs/dbraw/zinc/22/12/32/221221232.db2.gz PRYHZMPRUSUPFC-GOSISDBHSA-N 1 1 392.547 3.401 50 0 GGAAMO C[NH+]1CCC(N2CCC[C@@H](NC(=O)c3cc(C4CC4)nc4ccccc43)C2)CC1 ZINC000012713815 221221236 /nfs/dbraw/zinc/22/12/36/221221236.db2.gz PRYHZMPRUSUPFC-GOSISDBHSA-N 1 1 392.547 3.401 50 0 GGAAMO CCOC(=O)C[C@@H]1CCCC[N@H+]1Cc1cn(C)nc1-c1ccc2c(c1)OCCO2 ZINC000012593505 221211242 /nfs/dbraw/zinc/21/12/42/221211242.db2.gz JACKCUAJJZMUJC-SFHVURJKSA-N 1 1 399.491 3.166 50 0 GGAAMO Cc1cccc(C[N@@H+]2CCC[C@]3(CCN(C(=O)c4c(C)cc(C)[nH]c4=O)C3)C2)c1 ZINC000012592630 221211417 /nfs/dbraw/zinc/21/14/17/221211417.db2.gz JKUIHRMUASKPMY-DEOSSOPVSA-N 1 1 393.531 3.428 50 0 GGAAMO Cc1cc(C)n(-c2ccc(NC(=O)C3CC[NH+](Cc4ccon4)CC3)cc2)n1 ZINC000012588565 221211689 /nfs/dbraw/zinc/21/16/89/221211689.db2.gz STJPAZOBKDZAPG-UHFFFAOYSA-N 1 1 379.464 3.328 50 0 GGAAMO Cc1cccc(C[N@@H+]2CCC[C@@]3(CCN(C(=O)c4c(C)cc(C)[nH]c4=O)C3)C2)c1 ZINC000012592625 221211703 /nfs/dbraw/zinc/21/17/03/221211703.db2.gz JKUIHRMUASKPMY-XMMPIXPASA-N 1 1 393.531 3.428 50 0 GGAAMO O=C(CCN1CCCCO1)N1CC[C@]2(C1)CCC[N@H+](Cc1ccc(F)cc1)C2 ZINC000012747870 221223727 /nfs/dbraw/zinc/22/37/27/221223727.db2.gz NGMFTUSCZYHMMN-JOCHJYFZSA-N 1 1 389.515 3.058 50 0 GGAAMO COc1cc(NC(=O)CC[C@H]2CCC[N@H+](C3CCOCC3)C2)cc(OC)c1 ZINC000012748486 221224102 /nfs/dbraw/zinc/22/41/02/221224102.db2.gz NIXFADDAGXXKOW-MRXNPFEDSA-N 1 1 376.497 3.314 50 0 GGAAMO COc1ccccc1C[N@@H+]1CCC[C@H]1C(=O)Nc1cccc(-n2cccn2)c1 ZINC000012754413 221225448 /nfs/dbraw/zinc/22/54/48/221225448.db2.gz LSQJNZATIPPUTM-FQEVSTJZSA-N 1 1 376.460 3.484 50 0 GGAAMO COc1ccccc1C[N@H+]1CCC[C@H]1C(=O)Nc1cccc(-n2cccn2)c1 ZINC000012754413 221225451 /nfs/dbraw/zinc/22/54/51/221225451.db2.gz LSQJNZATIPPUTM-FQEVSTJZSA-N 1 1 376.460 3.484 50 0 GGAAMO O=C(N[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2)C1)c1cc2c([nH]c1=O)CCCC2 ZINC000012754500 221225578 /nfs/dbraw/zinc/22/55/78/221225578.db2.gz VUDWWCFWGBJYEI-SFHVURJKSA-N 1 1 399.922 3.302 50 0 GGAAMO O=C(N[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1)c1cc2c([nH]c1=O)CCCC2 ZINC000012754500 221225579 /nfs/dbraw/zinc/22/55/79/221225579.db2.gz VUDWWCFWGBJYEI-SFHVURJKSA-N 1 1 399.922 3.302 50 0 GGAAMO COc1ccc(F)c(-c2nc(C[N@@H+](C[C@H]3CCC(=O)N3)C(C)C)c(C)o2)c1 ZINC000012757008 221226442 /nfs/dbraw/zinc/22/64/42/221226442.db2.gz NYOFYCOCZQCAIF-CQSZACIVSA-N 1 1 375.444 3.287 50 0 GGAAMO O=C(NC[C@H]1CCC[N@@H+](CCCn2cccn2)C1)c1cccc(C(F)(F)F)c1 ZINC000012757423 221226671 /nfs/dbraw/zinc/22/66/71/221226671.db2.gz MQHKREWNKKCSGN-MRXNPFEDSA-N 1 1 394.441 3.434 50 0 GGAAMO O=C(NC[C@@H]1CCC[N@@H+](CCCn2cccn2)C1)c1cccc(C(F)(F)F)c1 ZINC000012757418 221227356 /nfs/dbraw/zinc/22/73/56/221227356.db2.gz MQHKREWNKKCSGN-INIZCTEOSA-N 1 1 394.441 3.434 50 0 GGAAMO CC(=O)c1ccc(OCC(=O)N2CCC[C@H]([N@@H+](C)CCc3ccccc3)C2)cc1 ZINC000012762004 221227765 /nfs/dbraw/zinc/22/77/65/221227765.db2.gz GKACJCHHYVWVIM-QFIPXVFZSA-N 1 1 394.515 3.434 50 0 GGAAMO CCCCNC(=O)[C@H]1CCC[N@H+](C2CCN(c3nc4ccccc4o3)CC2)C1 ZINC000012835493 221237155 /nfs/dbraw/zinc/23/71/55/221237155.db2.gz XSPFTUVVMNEGJL-KRWDZBQOSA-N 1 1 384.524 3.425 50 0 GGAAMO Cn1c(CC[NH+]2CCOCC2)nc2cc(NC(=O)Nc3ccccc3)ccc21 ZINC000013541064 221271406 /nfs/dbraw/zinc/27/14/06/221271406.db2.gz WPIWGOJEJHPMEL-UHFFFAOYSA-N 1 1 379.464 3.092 50 0 GGAAMO CC[C@H](C)[C@H](NC(=O)[C@@H]1Cc2ccccc2C[NH2+]1)C(=O)Nc1cccc(C)c1 ZINC000013555331 221273085 /nfs/dbraw/zinc/27/30/85/221273085.db2.gz ONXHUFDSPWZSEG-NDXORKPFSA-N 1 1 379.504 3.179 50 0 GGAAMO CCOC(=O)c1[nH]c2ccc(OC)cc2c1NC(=O)[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000013786107 221289332 /nfs/dbraw/zinc/28/93/32/221289332.db2.gz UVLGBEOLPJWMGW-KGLIPLIRSA-N 1 1 387.480 3.412 50 0 GGAAMO Cn1nc(C(=O)N2CCCCCC2)c2c1CC[C@@H]([N@@H+](C)Cc1ccsc1)C2 ZINC000014541026 221312070 /nfs/dbraw/zinc/31/20/70/221312070.db2.gz FTWLWJMJCSRMSS-QGZVFWFLSA-N 1 1 386.565 3.487 50 0 GGAAMO O=S(=O)(C1CC1)N1CCC([C@H]2CC[N@H+](Cc3ccc(Cl)cc3)C2)CC1 ZINC000014969450 221321327 /nfs/dbraw/zinc/32/13/27/221321327.db2.gz RMFBBAFKMMEBTB-KRWDZBQOSA-N 1 1 382.957 3.366 50 0 GGAAMO CSCCCNC(=O)[C@@H]1CCC[N@H+](C2CCN(Cc3ccccc3)CC2)C1 ZINC000014968533 221321476 /nfs/dbraw/zinc/32/14/76/221321476.db2.gz USENRHNXKHBTNE-HXUWFJFHSA-N 1 1 389.609 3.232 50 0 GGAAMO CC(=O)c1ccc(OCC(=O)N[C@H]2CCC[N@@H+](CCc3ccccc3)C2)cc1 ZINC000014965269 221321515 /nfs/dbraw/zinc/32/15/15/221321515.db2.gz BJEDWAQDBLBXKB-NRFANRHFSA-N 1 1 380.488 3.091 50 0 GGAAMO CCN(Cc1ccccc1)C(=O)[C@H]1CCC[N@H+](C2CCN(C(=O)C3CC3)CC2)C1 ZINC000014967041 221321952 /nfs/dbraw/zinc/32/19/52/221321952.db2.gz HWQRUZQIUINTHZ-NRFANRHFSA-N 1 1 397.563 3.148 50 0 GGAAMO O=C1N(Cc2ccccc2F)CCC[C@]12CC[N@@H+](Cc1ccc3nonc3c1)C2 ZINC000014961921 221322296 /nfs/dbraw/zinc/32/22/96/221322296.db2.gz MJQBBIYWHAMSOY-JOCHJYFZSA-N 1 1 394.450 3.377 50 0 GGAAMO COc1cc(C[N@@H+]2CCc3nnc(-c4ccccc4)n3CC2)cc(OC)c1OC ZINC000014966741 221322372 /nfs/dbraw/zinc/32/23/72/221322372.db2.gz FCHTVEUROFXICV-UHFFFAOYSA-N 1 1 394.475 3.029 50 0 GGAAMO O=C(NCC(F)(F)F)[C@@H]1CCC[N@H+](C2CCN(Cc3ccccc3)CC2)C1 ZINC000014975154 221323034 /nfs/dbraw/zinc/32/30/34/221323034.db2.gz YOKSFLQAKCILKV-QGZVFWFLSA-N 1 1 383.458 3.042 50 0 GGAAMO CN(C)C(=O)c1nn(Cc2ccccc2)c2c1C[C@H]([N@@H+](C)Cc1ccco1)CC2 ZINC000014746169 221316148 /nfs/dbraw/zinc/31/61/48/221316148.db2.gz TZZJZQSGRVBNOK-GOSISDBHSA-N 1 1 392.503 3.216 50 0 GGAAMO O=C1C[N@H+](C2CCCC2)C[C@H](OCc2ccccc2)CN1CC1CCOCC1 ZINC000014754946 221316515 /nfs/dbraw/zinc/31/65/15/221316515.db2.gz DVFMTMRHXHQYBZ-QFIPXVFZSA-N 1 1 386.536 3.085 50 0 GGAAMO COc1cc(C[N@H+]2CCC[C@H](CNC(=O)c3cccs3)C2)cc2c1OCO2 ZINC000014959085 221319945 /nfs/dbraw/zinc/31/99/45/221319945.db2.gz JGILILHNLHRVCH-CQSZACIVSA-N 1 1 388.489 3.127 50 0 GGAAMO Cc1cc(C(=O)N2CC[C@]3(C2)CCC[N@@H+](Cc2ccc(F)c(F)c2)C3)n(C)n1 ZINC000014952860 221320225 /nfs/dbraw/zinc/32/02/25/221320225.db2.gz XBLWFDCOSHLLJE-OAQYLSRUSA-N 1 1 388.462 3.135 50 0 GGAAMO CCOC(=O)C1=C(C[N@@H+]2CCCC[C@H]2C)NC(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC000015319062 221335015 /nfs/dbraw/zinc/33/50/15/221335015.db2.gz ZGOMKRUTEYVKMA-FZKQIMNGSA-N 1 1 391.899 3.386 50 0 GGAAMO CCOC(=O)C1=C(C[N@H+]2CCCC[C@H]2C)NC(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC000015319062 221335017 /nfs/dbraw/zinc/33/50/17/221335017.db2.gz ZGOMKRUTEYVKMA-FZKQIMNGSA-N 1 1 391.899 3.386 50 0 GGAAMO CCOC(=O)C1C(C[N@@H+]2CCCC[C@H]2C)=NC(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC000015319062 221335021 /nfs/dbraw/zinc/33/50/21/221335021.db2.gz ZGOMKRUTEYVKMA-FZKQIMNGSA-N 1 1 391.899 3.386 50 0 GGAAMO CCOC(=O)C1C(C[N@H+]2CCCC[C@H]2C)=NC(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC000015319062 221335023 /nfs/dbraw/zinc/33/50/23/221335023.db2.gz ZGOMKRUTEYVKMA-FZKQIMNGSA-N 1 1 391.899 3.386 50 0 GGAAMO COC(=O)c1ccc(NC(=O)N2CCC[C@@H]([N@@H+](C)CCc3ccccn3)C2)cc1 ZINC000014981563 221325248 /nfs/dbraw/zinc/32/52/48/221325248.db2.gz IANPAZSPGGTNRB-HXUWFJFHSA-N 1 1 396.491 3.039 50 0 GGAAMO Cc1ccsc1C[N@@H+]1CCCC[C@@H]1CCn1cc(C(=O)NC(C)C)nn1 ZINC000014986650 221325381 /nfs/dbraw/zinc/32/53/81/221325381.db2.gz DKPKUMXJCBLXLA-MRXNPFEDSA-N 1 1 375.542 3.231 50 0 GGAAMO O=C(c1cn(C[C@H]2CCC[N@H+](C3C4CC5CC(C4)CC3C5)C2)nn1)N1CCCC1 ZINC000014986048 221325390 /nfs/dbraw/zinc/32/53/90/221325390.db2.gz NYTSYXCBQWHGSD-UUFSNNOVSA-N 1 1 397.567 3.051 50 0 GGAAMO CCOc1ccc(C[N@H+]2CCC[C@H](n3cc(C(=O)N4CCCCC4)nn3)C2)cc1 ZINC000014995545 221325477 /nfs/dbraw/zinc/32/54/77/221325477.db2.gz GVJQBUGOJWRNMB-IBGZPJMESA-N 1 1 397.523 3.140 50 0 GGAAMO O=C(NC1CC1)c1cn(C2CC[NH+](C/C(Cl)=C/c3ccccc3)CC2)nn1 ZINC000014986720 221325523 /nfs/dbraw/zinc/32/55/23/221325523.db2.gz HPBWOEOMVMYQFN-VBKFSLOCSA-N 1 1 385.899 3.087 50 0 GGAAMO CCN(CC)C(=O)c1cn([C@@H]2CCC[N@@H+](Cc3ccc4cccnc4c3)C2)nn1 ZINC000015003490 221326135 /nfs/dbraw/zinc/32/61/35/221326135.db2.gz KYJBGJPAAUYXQF-LJQANCHMSA-N 1 1 392.507 3.145 50 0 GGAAMO CC[C@@H]1CN(C(=O)c2ccc(NCc3cccc(C)n3)nc2)CC[N@H+]1C(C)C ZINC000015063283 221327672 /nfs/dbraw/zinc/32/76/72/221327672.db2.gz ZKSPNKRKCZFACG-HXUWFJFHSA-N 1 1 381.524 3.342 50 0 GGAAMO CC(C)(C)NC(=O)[C@@H]1CCC[N@H+](C2CCN(c3nc4ccccc4o3)CC2)C1 ZINC000015063302 221328131 /nfs/dbraw/zinc/32/81/31/221328131.db2.gz KRQSFKZNHVUKEN-MRXNPFEDSA-N 1 1 384.524 3.423 50 0 GGAAMO COc1ccc(C(=O)[C@@H]2CCC[N@H+](Cc3cnc(N(C)C)s3)C2)c(OC)c1 ZINC000015064154 221328223 /nfs/dbraw/zinc/32/82/23/221328223.db2.gz GAWCELCEHCWXJB-CQSZACIVSA-N 1 1 389.521 3.321 50 0 GGAAMO COc1ccc(C(=O)[C@@H]2CCC[N@@H+](Cc3cnc(N(C)C)s3)C2)c(OC)c1 ZINC000015064154 221328225 /nfs/dbraw/zinc/32/82/25/221328225.db2.gz GAWCELCEHCWXJB-CQSZACIVSA-N 1 1 389.521 3.321 50 0 GGAAMO Cc1cc(C(=O)N2CCC([C@H]3CC[N@@H+](CCc4ccccc4)C3)CC2)nn1C ZINC000015063644 221328391 /nfs/dbraw/zinc/32/83/91/221328391.db2.gz COMPWFNEVAKDEJ-NRFANRHFSA-N 1 1 380.536 3.145 50 0 GGAAMO O=C(Cn1cccn1)N(Cc1cccnc1)C[C@@H]1CCC[N@H+](C2CCCCC2)C1 ZINC000015069957 221329285 /nfs/dbraw/zinc/32/92/85/221329285.db2.gz AUUNCMRDEASPFY-OAQYLSRUSA-N 1 1 395.551 3.352 50 0 GGAAMO COc1ccc(CC[N@@H+](C)[C@@H]2CCCN(C(=O)c3ccoc3C)C2)cc1OC ZINC000015069047 221330215 /nfs/dbraw/zinc/33/02/15/221330215.db2.gz XHRQYASZKZLZSI-GOSISDBHSA-N 1 1 386.492 3.384 50 0 GGAAMO CCn1cc(C[N@H+]2CC[C@@]3(C2)CCCN(Cc2cccc(OC)c2)C3=O)c(C)n1 ZINC000015075550 221330813 /nfs/dbraw/zinc/33/08/13/221330813.db2.gz XMLWGJBGWOVTMC-HSZRJFAPSA-N 1 1 396.535 3.235 50 0 GGAAMO O=C(NCc1ccccn1)[C@H]1CCC[N@H+](C2CCN(Cc3ccsc3)CC2)C1 ZINC000015073145 221331393 /nfs/dbraw/zinc/33/13/93/221331393.db2.gz FCVHYCPYBBOBTN-IBGZPJMESA-N 1 1 398.576 3.136 50 0 GGAAMO O=C(NCCC[NH+]1CCCCCC1)C1CCN(Cc2ccccc2F)CC1 ZINC000016607293 221366296 /nfs/dbraw/zinc/36/62/96/221366296.db2.gz JNINMIMXIOPAPD-UHFFFAOYSA-N 1 1 375.532 3.420 50 0 GGAAMO Cc1ccc(C[N@H+]2CC[C@@H](CNC(=O)Nc3ccc4c(c3)OCCO4)C2)cc1 ZINC000016622021 221366584 /nfs/dbraw/zinc/36/65/84/221366584.db2.gz UBJBUYOWEFBPJV-SFHVURJKSA-N 1 1 381.476 3.410 50 0 GGAAMO O=C(COc1ccccc1Br)N1CC[NH+](Cc2ccccc2)CC1 ZINC000016605424 221366601 /nfs/dbraw/zinc/36/66/01/221366601.db2.gz MJZZLBFJGCQWCF-UHFFFAOYSA-N 1 1 389.293 3.172 50 0 GGAAMO COc1ccc([C@@H](CNC(=O)c2cc(=O)c3ccccc3o2)[NH+]2CCCC2)cc1 ZINC000017911544 221384869 /nfs/dbraw/zinc/38/48/69/221384869.db2.gz AJKBCVBKFYYUIG-LJQANCHMSA-N 1 1 392.455 3.369 50 0 GGAAMO CCCCOc1ccc(N2C(=O)C[C@H]([NH2+]Cc3ccc4c(c3)OCO4)C2=O)cc1 ZINC000018190028 221389198 /nfs/dbraw/zinc/38/91/98/221389198.db2.gz RZUIIRFTACBBDI-SFHVURJKSA-N 1 1 396.443 3.016 50 0 GGAAMO COc1ccc(NC2CC[NH+]([C@H]3CC(=O)N(c4ccc(F)cc4)C3=O)CC2)cc1 ZINC000018271438 221391491 /nfs/dbraw/zinc/39/14/91/221391491.db2.gz BKDQDQOVKQAJRX-FQEVSTJZSA-N 1 1 397.450 3.043 50 0 GGAAMO Cc1nccn1CC[N@H+](C)Cc1cccc(-c2nc3c(c(=O)[nH]2)CCCCC3)c1 ZINC000019113591 221396540 /nfs/dbraw/zinc/39/65/40/221396540.db2.gz LBOBJFUNDJQRQR-UHFFFAOYSA-N 1 1 391.519 3.343 50 0 GGAAMO CCOC(=O)c1ccc(NC(=S)N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000019814758 221455755 /nfs/dbraw/zinc/45/57/55/221455755.db2.gz QFRUDKCBLXMCPS-UHFFFAOYSA-N 1 1 383.517 3.378 50 0 GGAAMO COc1ccc2[nH]c(C[N@@H+]3C[C@H]4CC[C@@H]3CN(c3cnccn3)C4)c(C)c2c1 ZINC000091997665 533233408 /nfs/dbraw/zinc/23/34/08/533233408.db2.gz KVJYJKMEWOLFLO-IAGOWNOFSA-N 1 1 377.492 3.376 50 0 GGAAMO COc1ccc2[nH]c(C[N@H+]3C[C@H]4CC[C@@H]3CN(c3cnccn3)C4)c(C)c2c1 ZINC000091997665 533233413 /nfs/dbraw/zinc/23/34/13/533233413.db2.gz KVJYJKMEWOLFLO-IAGOWNOFSA-N 1 1 377.492 3.376 50 0 GGAAMO COc1ccc(CN(C(=O)NC[C@@H]2CC[N@@H+](C)C2)C2CCCCC2)c(OC)c1 ZINC000426422016 533514955 /nfs/dbraw/zinc/51/49/55/533514955.db2.gz QWISPDNHVLHHBX-KRWDZBQOSA-N 1 1 389.540 3.500 50 0 GGAAMO Cc1[nH]nc(-c2ccc(F)cc2)c1CC(=O)NC[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000409413135 533654068 /nfs/dbraw/zinc/65/40/68/533654068.db2.gz ABVXSWSZNVSTLG-XLIONFOSSA-N 1 1 384.499 3.447 50 0 GGAAMO COc1ccc(-c2noc(-c3ccc(N4CC[N@H+]5CCC[C@@H]5C4)nc3)n2)cc1 ZINC000039489568 132391527 /nfs/dbraw/zinc/39/15/27/132391527.db2.gz BXOQRMJUOANRJS-QGZVFWFLSA-N 1 1 377.448 3.092 50 0 GGAAMO Cc1cc(C(=O)N2CCC[C@H]([NH+]3CCN(c4ccc(F)cc4)CC3)C2)c(C)o1 ZINC000055118824 132443811 /nfs/dbraw/zinc/44/38/11/132443811.db2.gz XSUWGCBMEZEBBT-FQEVSTJZSA-N 1 1 385.483 3.462 50 0 GGAAMO O=C(CCc1ccco1)N1CCC[C@H]([NH+]2CCN(c3ccccc3F)CC2)C1 ZINC000064137111 136156680 /nfs/dbraw/zinc/15/66/80/136156680.db2.gz FTJIEAUOQVAKHU-SFHVURJKSA-N 1 1 385.483 3.165 50 0 GGAAMO CCCC[C@@H]1CN(c2ccc(Cl)cc2)C(=O)CN1C(=O)Cn1cc[nH+]c1C ZINC000082087598 136173337 /nfs/dbraw/zinc/17/33/37/136173337.db2.gz ZTDZSGYJVBIOSK-GOSISDBHSA-N 1 1 388.899 3.279 50 0 GGAAMO Cc1ccc(NC(=O)N2CCN(c3cc[nH+]c(N4CCCCC4)n3)CC2)cc1F ZINC000082230347 136174656 /nfs/dbraw/zinc/17/46/56/136174656.db2.gz ILTYYZYUPMGQSU-UHFFFAOYSA-N 1 1 398.486 3.269 50 0 GGAAMO COCCN1C[C@H]2CC[C@@H]1C[N@H+](C1CCN(c3cccc(Cl)c3)CC1)C2 ZINC000095356013 136178112 /nfs/dbraw/zinc/17/81/12/136178112.db2.gz AXVZPKMWZMPYMT-DYESRHJHSA-N 1 1 377.960 3.351 50 0 GGAAMO Cc1cc(C)nc(N2CCC([NH2+]CCc3nc4ccc(Cl)cc4[nH]3)CC2)n1 ZINC000095369817 136178472 /nfs/dbraw/zinc/17/84/72/136178472.db2.gz BRDYNWFCNHVDRW-UHFFFAOYSA-N 1 1 384.915 3.424 50 0 GGAAMO c1cn(Cc2ccccn2)c([C@H]2CCCN(c3nccnc3N3CCCC3)C2)[nH+]1 ZINC000095505878 136180116 /nfs/dbraw/zinc/18/01/16/136180116.db2.gz BHLSJFNKLBMTRR-SFHVURJKSA-N 1 1 389.507 3.101 50 0 GGAAMO O=C(c1ccc(N2CCC[C@H](c3[nH+]ccn3CC3CC3)C2)nc1)N1CCCC1 ZINC000095505963 136180259 /nfs/dbraw/zinc/18/02/59/136180259.db2.gz ODCBACVHOLAWTM-IBGZPJMESA-N 1 1 379.508 3.308 50 0 GGAAMO Cc1cc(N2CCC([NH2+]Cc3cccnc3)CC2)nc(-c2ccccc2O)n1 ZINC000095526057 136181348 /nfs/dbraw/zinc/18/13/48/136181348.db2.gz CFPWHJBBEPJDSX-UHFFFAOYSA-N 1 1 375.476 3.311 50 0 GGAAMO CCC[N@H+]1CCc2nc[nH]c2C12CCN(c1nc(C)c3c(n1)CCCC3)CC2 ZINC000096141474 136184275 /nfs/dbraw/zinc/18/42/75/136184275.db2.gz IXBLUMRTAFYUSY-UHFFFAOYSA-N 1 1 380.540 3.151 50 0 GGAAMO CCCc1cc(N2CCC([N@H+]3CC[C@H](n4nc(C)cc4C)C3)CC2)nc(C)n1 ZINC000096160104 136184683 /nfs/dbraw/zinc/18/46/83/136184683.db2.gz YWUJHPZXBJGSRT-NRFANRHFSA-N 1 1 382.556 3.467 50 0 GGAAMO OCC[C@@H]1CN(c2cccc(C(F)(F)F)n2)CC[N@H+]1CCc1ccccc1 ZINC000106953186 136191682 /nfs/dbraw/zinc/19/16/82/136191682.db2.gz IGPKWRDETKPSOW-QGZVFWFLSA-N 1 1 379.426 3.216 50 0 GGAAMO COc1ccc(OC)c2c(=O)c(C[NH+]3CCN(c4ccccc4)CC3)c(C)[nH]c12 ZINC000019793609 136202318 /nfs/dbraw/zinc/20/23/18/136202318.db2.gz DUHGJSTYJSJOLU-UHFFFAOYSA-N 1 1 393.487 3.176 50 0 GGAAMO CC[NH+]1CCN([C@H](c2cccs2)[C@@H](C)NC(=O)NC2CCCCC2)CC1 ZINC000022796517 221572141 /nfs/dbraw/zinc/57/21/41/221572141.db2.gz ILXLZAREDACBMD-APWZRJJASA-N 1 1 378.586 3.447 50 0 GGAAMO CC[C@H](Oc1ccccc1F)C(=O)NCC1(N2CC[NH+](C)CC2)CCCCC1 ZINC000027741722 221659451 /nfs/dbraw/zinc/65/94/51/221659451.db2.gz NDEIHZJKANZBMK-IBGZPJMESA-N 1 1 391.531 3.050 50 0 GGAAMO O=C(NCCOc1ccc(F)cc1)C1CC[NH+](Cc2nc3ccccc3[nH]2)CC1 ZINC000038489458 221880972 /nfs/dbraw/zinc/88/09/72/221880972.db2.gz PAIPJCRPSFHATP-UHFFFAOYSA-N 1 1 396.466 3.109 50 0 GGAAMO COc1ccc(NC(=O)[C@H]2C[C@@H]3CCC[N@H+]3[C@@]23c2cccc(C)c2NC3=O)cc1 ZINC000057128991 222030198 /nfs/dbraw/zinc/03/01/98/222030198.db2.gz FPVRTGVPGJESJU-QUZZAMIASA-N 1 1 391.471 3.274 50 0 GGAAMO CC[N@H+](Cc1ccccc1)CC1=C(C(=O)OC)[C@@H](c2cccs2)NC(=O)N1 ZINC000057415881 222031409 /nfs/dbraw/zinc/03/14/09/222031409.db2.gz MNVSWDBQGNDCPV-GOSISDBHSA-N 1 1 385.489 3.051 50 0 GGAAMO CC[N@@H+](Cc1ccccc1)CC1=C(C(=O)OC)[C@@H](c2cccs2)NC(=O)N1 ZINC000057415881 222031414 /nfs/dbraw/zinc/03/14/14/222031414.db2.gz MNVSWDBQGNDCPV-GOSISDBHSA-N 1 1 385.489 3.051 50 0 GGAAMO CC[N@H+](Cc1ccccc1)CC1=NC(=O)N[C@H](c2ccc(C)cc2)C1C(=O)OC ZINC000051318296 222004302 /nfs/dbraw/zinc/00/43/02/222004302.db2.gz SFXLJIMQRKSLST-OAQYLSRUSA-N 1 1 393.487 3.298 50 0 GGAAMO CC[N@@H+](Cc1ccccc1)CC1=NC(=O)N[C@H](c2ccc(C)cc2)C1C(=O)OC ZINC000051318296 222004305 /nfs/dbraw/zinc/00/43/05/222004305.db2.gz SFXLJIMQRKSLST-OAQYLSRUSA-N 1 1 393.487 3.298 50 0 GGAAMO COC(=O)C1C(C[NH2+]Cc2ccc(F)cc2)=NC(=O)N[C@@H]1c1ccc(C)cc1C ZINC000054979062 222014868 /nfs/dbraw/zinc/01/48/68/222014868.db2.gz XSBVWGNGFDSQJB-HXUWFJFHSA-N 1 1 397.450 3.013 50 0 GGAAMO CCn1nc(C)c(C[N@@H+](CC)Cc2c(C)n(C)n(-c3ccccc3)c2=O)c1C ZINC000055133397 222015337 /nfs/dbraw/zinc/01/53/37/222015337.db2.gz UHVOLPZNWABYPC-UHFFFAOYSA-N 1 1 381.524 3.340 50 0 GGAAMO CCOC(=O)[C@@]1(Cc2cccc(Cl)c2)CCC[N@@H+](Cc2cnc(N)nc2)C1 ZINC000055167083 222016247 /nfs/dbraw/zinc/01/62/47/222016247.db2.gz CZLWZKIPLFSFRF-HXUWFJFHSA-N 1 1 388.899 3.100 50 0 GGAAMO CC(C)COc1ccccc1CN(C)C(=O)c1ccc(NC(=O)C[NH+](C)C)cc1 ZINC000055212012 222018627 /nfs/dbraw/zinc/01/86/27/222018627.db2.gz VDDZLYMZVKAORL-UHFFFAOYSA-N 1 1 397.519 3.494 50 0 GGAAMO CCOC(=O)C1C(C[N@H+]2CCCC[C@@H]2C)=NC(=O)N[C@H]1c1cc(C)ccc1C ZINC000055220552 222018825 /nfs/dbraw/zinc/01/88/25/222018825.db2.gz YHOMBZDWEQPAKY-JXFKEZNVSA-N 1 1 385.508 3.349 50 0 GGAAMO CCOC(=O)C1=C(C[NH+]2CCC(C)CC2)NC(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC000055227004 222018966 /nfs/dbraw/zinc/01/89/66/222018966.db2.gz CFGOXUKMFUAYBD-GOSISDBHSA-N 1 1 391.899 3.243 50 0 GGAAMO CCOC(=O)C1C(C[NH+]2CCC(C)CC2)=NC(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC000055227004 222018973 /nfs/dbraw/zinc/01/89/73/222018973.db2.gz CFGOXUKMFUAYBD-GOSISDBHSA-N 1 1 391.899 3.243 50 0 GGAAMO Cc1ccc([C@@H](C(=O)N2CCC(CCC(=O)N3CCCC3)CC2)[NH+](C)C)cc1 ZINC000055340711 222019738 /nfs/dbraw/zinc/01/97/38/222019738.db2.gz AQXFTFNLQVXXIW-QFIPXVFZSA-N 1 1 385.552 3.239 50 0 GGAAMO COc1ccc(-c2n[nH]cc2C[N@@H+](C)C[C@@H]2COc3ccccc3O2)c(F)c1 ZINC000055358807 222020682 /nfs/dbraw/zinc/02/06/82/222020682.db2.gz HBBQIEWRICNXTD-MRXNPFEDSA-N 1 1 383.423 3.496 50 0 GGAAMO COc1ccc(NC(=O)[C@H]2C[C@@H]3CCC[N@H+]3[C@@]23c2cc(C)ccc2NC3=O)cc1 ZINC000061999542 222065233 /nfs/dbraw/zinc/06/52/33/222065233.db2.gz AIGVRVSZUIFPMJ-QUZZAMIASA-N 1 1 391.471 3.274 50 0 biogenic GGAAMO Cc1ccc2c(C(=O)N(C)C[C@@H]3CCC[N@H+]3C)cc(-c3cnn(C)c3)nc2c1C ZINC000063844980 222068102 /nfs/dbraw/zinc/06/81/02/222068102.db2.gz VJRRXJZCNMZBER-SFHVURJKSA-N 1 1 391.519 3.418 50 0 GGAAMO Cc1ccc2c(C(=O)N3CC[N@H+](C)[C@H](C)C3)cc(-c3cnn(C)c3)nc2c1C ZINC000063855950 222069478 /nfs/dbraw/zinc/06/94/78/222069478.db2.gz GFDHWOYAECXZMB-OAHLLOKOSA-N 1 1 377.492 3.028 50 0 GGAAMO Cc1ccc2c(C(=O)N3CC[N@@H+](C)[C@H](C)C3)cc(-c3cnn(C)c3)nc2c1C ZINC000063855950 222069480 /nfs/dbraw/zinc/06/94/80/222069480.db2.gz GFDHWOYAECXZMB-OAHLLOKOSA-N 1 1 377.492 3.028 50 0 GGAAMO Cc1[nH+]ccn1CCN(C)C(=O)c1cc(-c2cnn(C)c2)nc2c(C)cccc12 ZINC000063881831 222069564 /nfs/dbraw/zinc/06/95/64/222069564.db2.gz DVOZLXBPTBBZGO-UHFFFAOYSA-N 1 1 388.475 3.221 50 0 GGAAMO CC(C)CNC(=O)c1cn([C@H]2CCC[N@H+](Cc3nc4ccccc4s3)C2)nn1 ZINC000064609789 222076983 /nfs/dbraw/zinc/07/69/83/222076983.db2.gz NFNNYYSMQASPRG-HNNXBMFYSA-N 1 1 398.536 3.111 50 0 GGAAMO CC(C)CNC(=O)c1cn([C@H]2CCC[N@@H+](Cc3nc4ccccc4s3)C2)nn1 ZINC000064609789 222076985 /nfs/dbraw/zinc/07/69/85/222076985.db2.gz NFNNYYSMQASPRG-HNNXBMFYSA-N 1 1 398.536 3.111 50 0 GGAAMO Cc1[nH+]c2cc3c(cc2n1CC(=O)NCc1c(F)cccc1Cl)OCCO3 ZINC000064795039 222082715 /nfs/dbraw/zinc/08/27/15/222082715.db2.gz XFXSXNVGLBPQCC-UHFFFAOYSA-N 1 1 389.814 3.225 50 0 GGAAMO CCC1CCN(C(=O)[C@@H]2CCC[N@H+](C3CCN(Cc4cccnc4)CC3)C2)CC1 ZINC000071748893 222189281 /nfs/dbraw/zinc/18/92/81/222189281.db2.gz NKQJZVPCCKYCTJ-JOCHJYFZSA-N 1 1 398.595 3.407 50 0 GGAAMO Cc1nccn1-c1cc(NCCNC(=O)Nc2ccc(Cl)cc2)[nH+]c(C)n1 ZINC000065364677 222125408 /nfs/dbraw/zinc/12/54/08/222125408.db2.gz HJLASHPKPHWWRL-UHFFFAOYSA-N 1 1 385.859 3.166 50 0 GGAAMO CCc1ncc(C[N@H+]2C[C@@H](c3ccc(OC)cc3)[C@@H]3[C@H]2C2CCN3CC2)cn1 ZINC000071750145 222189359 /nfs/dbraw/zinc/18/93/59/222189359.db2.gz KGHTUDWBXTZFCS-MDNUFGMLSA-N 1 1 378.520 3.110 50 0 GGAAMO CCc1ncc(CN2C[C@@H](c3ccc(OC)cc3)[C@@H]3[C@H]2C2CC[NH+]3CC2)cn1 ZINC000071750145 222189362 /nfs/dbraw/zinc/18/93/62/222189362.db2.gz KGHTUDWBXTZFCS-MDNUFGMLSA-N 1 1 378.520 3.110 50 0 GGAAMO Cn1nccc1NC(=O)c1ccc(C[N@@H+](C)Cc2ccc3c(c2)OCO3)cc1 ZINC000065381999 222126307 /nfs/dbraw/zinc/12/63/07/222126307.db2.gz BWQBRMVTBKBECS-UHFFFAOYSA-N 1 1 378.432 3.033 50 0 GGAAMO Cc1ncc(CO)c(C[N@H+]2CC[C@@H](c3ccnc(-c4cccc(O)c4)c3)C2)c1O ZINC000065419441 222127970 /nfs/dbraw/zinc/12/79/70/222127970.db2.gz ZQJCJBDNBCGVRJ-GOSISDBHSA-N 1 1 391.471 3.345 50 0 GGAAMO O=C([C@@H]1CCC[N@H+](C2CCN(Cc3cc(F)cc(F)c3)CC2)C1)N1CCCC1 ZINC000071747469 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/nfs/dbraw/zinc/25/93/07/570259307.db2.gz IVXXNBQVPDGBPD-HXUWFJFHSA-N 1 1 386.561 3.486 50 0 GGAAMO COc1cccc(CN2CC[N@H+](Cc3cccc(SC)c3)C[C@H]2CCO)c1 ZINC000104509846 570259308 /nfs/dbraw/zinc/25/93/08/570259308.db2.gz IVXXNBQVPDGBPD-HXUWFJFHSA-N 1 1 386.561 3.486 50 0 GGAAMO COc1cccc(CN2CC[N@@H+](Cc3cccc(SC)c3)C[C@H]2CCO)c1 ZINC000104509846 570259310 /nfs/dbraw/zinc/25/93/10/570259310.db2.gz IVXXNBQVPDGBPD-HXUWFJFHSA-N 1 1 386.561 3.486 50 0 GGAAMO CC(C)=CC[N@H+]1CCN(Cc2cnn(-c3ccc(Cl)cc3)c2)C[C@H]1CCO ZINC000104507229 570259433 /nfs/dbraw/zinc/25/94/33/570259433.db2.gz MVYZKBFSMFAECS-OAQYLSRUSA-N 1 1 388.943 3.361 50 0 GGAAMO CCOc1ccc(C[N@H+]2CCN(Cc3ccc(OC)cc3)C[C@H]2CCO)cc1 ZINC000104535648 570260151 /nfs/dbraw/zinc/26/01/51/570260151.db2.gz VHOSGTUZGACBBH-OAQYLSRUSA-N 1 1 384.520 3.163 50 0 GGAAMO CCOc1ccc(CN2CC[N@H+](Cc3ccc(OC)cc3)C[C@H]2CCO)cc1 ZINC000104535648 570260155 /nfs/dbraw/zinc/26/01/55/570260155.db2.gz VHOSGTUZGACBBH-OAQYLSRUSA-N 1 1 384.520 3.163 50 0 GGAAMO CCOc1ccc(CN2CC[N@@H+](Cc3ccc(OC)cc3)C[C@H]2CCO)cc1 ZINC000104535648 570260157 /nfs/dbraw/zinc/26/01/57/570260157.db2.gz VHOSGTUZGACBBH-OAQYLSRUSA-N 1 1 384.520 3.163 50 0 GGAAMO CCOc1ccccc1CN1CC[N@H+](Cc2cccc(OC)c2)C[C@H]1CCO ZINC000104521366 570260216 /nfs/dbraw/zinc/26/02/16/570260216.db2.gz PYPOGKZDZXWLAA-OAQYLSRUSA-N 1 1 384.520 3.163 50 0 GGAAMO CCOc1ccccc1CN1CC[N@@H+](Cc2cccc(OC)c2)C[C@H]1CCO ZINC000104521366 570260217 /nfs/dbraw/zinc/26/02/17/570260217.db2.gz PYPOGKZDZXWLAA-OAQYLSRUSA-N 1 1 384.520 3.163 50 0 GGAAMO CCOc1ccccc1C[N@@H+]1CCN(Cc2cccc(OC)c2)C[C@H]1CCO ZINC000104521366 570260218 /nfs/dbraw/zinc/26/02/18/570260218.db2.gz PYPOGKZDZXWLAA-OAQYLSRUSA-N 1 1 384.520 3.163 50 0 GGAAMO CCOc1ccccc1C[N@H+]1CCN(Cc2cccc(OC)c2)C[C@H]1CCO ZINC000104521366 570260219 /nfs/dbraw/zinc/26/02/19/570260219.db2.gz PYPOGKZDZXWLAA-OAQYLSRUSA-N 1 1 384.520 3.163 50 0 GGAAMO c1c(-c2ccc3c(c2)OCO3)nc2n1c1ccccc1n2CC[NH+]1CCOCC1 ZINC000020463153 570261141 /nfs/dbraw/zinc/26/11/41/570261141.db2.gz 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CC[N@H+]1CCC[C@H]1CN/C=C1\c2ccccc2C(=O)N(c2ccccc2F)C1=O ZINC000020533429 570265378 /nfs/dbraw/zinc/26/53/78/570265378.db2.gz IDLMHKLJRPUPLV-DAMBIUFKSA-N 1 1 393.462 3.428 50 0 GGAAMO OCC[C@H]1C[N@@H+](Cc2cccc3cccnc32)CCN1Cc1ccc(F)cc1 ZINC000020534779 570265686 /nfs/dbraw/zinc/26/56/86/570265686.db2.gz KNIUFGIPIXAUPE-QFIPXVFZSA-N 1 1 379.479 3.443 50 0 GGAAMO COc1ccc(CN2CC[N@@H+](CCCc3ccccc3)C[C@@H]2CCO)c(F)c1 ZINC000020534853 570265731 /nfs/dbraw/zinc/26/57/31/570265731.db2.gz RPJVKEPYIFHZLM-NRFANRHFSA-N 1 1 386.511 3.336 50 0 GGAAMO OCC[C@@H]1C[N@@H+](Cc2cccc3cccnc32)CCN1Cc1ccc(F)cc1 ZINC000020534777 570265786 /nfs/dbraw/zinc/26/57/86/570265786.db2.gz KNIUFGIPIXAUPE-JOCHJYFZSA-N 1 1 379.479 3.443 50 0 GGAAMO OCC[C@@H]1CN(Cc2c[nH]nc2-c2ccccc2)CC[N@H+]1Cc1cccs1 ZINC000020534457 570265871 /nfs/dbraw/zinc/26/58/71/570265871.db2.gz AJKNTCSFFAZSBR-LJQANCHMSA-N 1 1 382.533 3.207 50 0 GGAAMO Cc1ccccc1N1CCN([C@H]2CCC[N@@H+](Cc3cccc4nonc43)C2)CC1 ZINC000020542541 570267090 /nfs/dbraw/zinc/26/70/90/570267090.db2.gz MJBQJTSNRVZNBB-FQEVSTJZSA-N 1 1 391.519 3.318 50 0 GGAAMO COc1ccc(OC)c([C@@H](O)C[NH+]2CCN(c3cccc(Cl)c3)CC2)c1 ZINC000049420853 570267115 /nfs/dbraw/zinc/26/71/15/570267115.db2.gz ZXQUSNXXCQJOGQ-IBGZPJMESA-N 1 1 376.884 3.213 50 0 GGAAMO Cc1ccccc1N1CC[NH+]([C@H]2CCCN(Cc3cccc4nonc43)C2)CC1 ZINC000020542541 570267095 /nfs/dbraw/zinc/26/70/95/570267095.db2.gz MJBQJTSNRVZNBB-FQEVSTJZSA-N 1 1 391.519 3.318 50 0 GGAAMO Cc1ccc(-c2cnn3c2nc(C(C)(C)C)cc3N2CC[NH+](CCO)CC2)cc1 ZINC000020565930 570267880 /nfs/dbraw/zinc/26/78/80/570267880.db2.gz OJLAIWCAEOIYCV-UHFFFAOYSA-N 1 1 393.535 3.117 50 0 GGAAMO CCOC(=O)C1C(C[N@H+](C)Cc2ccccc2)=NC(=O)N[C@@H]1c1ccc(C)cc1 ZINC000020560192 570267975 /nfs/dbraw/zinc/26/79/75/570267975.db2.gz IERAHTCHEQFAEG-OAQYLSRUSA-N 1 1 393.487 3.298 50 0 GGAAMO CCOC(=O)C1C(C[N@@H+](C)Cc2ccccc2)=NC(=O)N[C@@H]1c1ccc(C)cc1 ZINC000020560192 570267977 /nfs/dbraw/zinc/26/79/77/570267977.db2.gz IERAHTCHEQFAEG-OAQYLSRUSA-N 1 1 393.487 3.298 50 0 GGAAMO Cc1ccccc1C(=O)Nc1ccc2c(c1)nc(CC[NH+]1CCOCC1)n2C ZINC000020567583 570268161 /nfs/dbraw/zinc/26/81/61/570268161.db2.gz FXZNBTHOJLABGX-UHFFFAOYSA-N 1 1 378.476 3.009 50 0 GGAAMO COc1ccc(NC2CC[NH+]([C@@H]3CC(=O)N(c4ccc(F)cc4)C3=O)CC2)cc1 ZINC000100188778 570268641 /nfs/dbraw/zinc/26/86/41/570268641.db2.gz BKDQDQOVKQAJRX-HXUWFJFHSA-N 1 1 397.450 3.043 50 0 GGAAMO Cc1occc1C(=O)N[C@@H](C)c1nnc2n1CC[N@H+](Cc1ccc(C)cc1)CC2 ZINC000020598605 570269535 /nfs/dbraw/zinc/26/95/35/570269535.db2.gz USXPQIABTMHANO-INIZCTEOSA-N 1 1 393.491 3.037 50 0 GGAAMO Cc1ccc(C[N@@H+]2CCN(Cc3nc(-c4ccccc4)no3)C[C@@H]2CCO)cc1 ZINC000020601008 570269942 /nfs/dbraw/zinc/26/99/42/570269942.db2.gz HYGJTQPDXBONNJ-NRFANRHFSA-N 1 1 392.503 3.114 50 0 GGAAMO Cc1ccc(C[N@H+]2CCN(Cc3nc(-c4ccccc4)no3)C[C@@H]2CCO)cc1 ZINC000020601008 570269943 /nfs/dbraw/zinc/26/99/43/570269943.db2.gz HYGJTQPDXBONNJ-NRFANRHFSA-N 1 1 392.503 3.114 50 0 GGAAMO Cc1nn(C(C)C)c(C)c1CN1CC[N@H+](Cc2cccs2)[C@@H](CCO)C1 ZINC000020600684 570269986 /nfs/dbraw/zinc/26/99/86/570269986.db2.gz QXVNPFGHGKEGON-SFHVURJKSA-N 1 1 376.570 3.211 50 0 GGAAMO Cc1nn(C(C)C)c(C)c1CN1CC[N@@H+](Cc2cccs2)[C@@H](CCO)C1 ZINC000020600684 570269987 /nfs/dbraw/zinc/26/99/87/570269987.db2.gz QXVNPFGHGKEGON-SFHVURJKSA-N 1 1 376.570 3.211 50 0 GGAAMO c1[nH]nc(-c2ccc3c(c2)OCO3)c1CNCC[N@@H+]1CC[C@@H](c2ccccc2)C1 ZINC000020600932 570270072 /nfs/dbraw/zinc/27/00/72/570270072.db2.gz KAMDEQTVMJMVRN-LJQANCHMSA-N 1 1 390.487 3.385 50 0 GGAAMO c1[nH]nc(-c2ccc3c(c2)OCO3)c1CNCC[N@H+]1CC[C@@H](c2ccccc2)C1 ZINC000020600932 570270076 /nfs/dbraw/zinc/27/00/76/570270076.db2.gz KAMDEQTVMJMVRN-LJQANCHMSA-N 1 1 390.487 3.385 50 0 GGAAMO CC[C@H](C)c1n[nH]c2c1C[N@H+](Cc1ccc(OC)c(Cn3cncn3)c1)CC2 ZINC000020600987 570270147 /nfs/dbraw/zinc/27/01/47/570270147.db2.gz OKKYMLNBWWNLHF-HNNXBMFYSA-N 1 1 380.496 3.130 50 0 GGAAMO CC[C@H](C)c1n[nH]c2c1C[N@@H+](Cc1ccc(OC)c(Cn3cncn3)c1)CC2 ZINC000020600987 570270149 /nfs/dbraw/zinc/27/01/49/570270149.db2.gz OKKYMLNBWWNLHF-HNNXBMFYSA-N 1 1 380.496 3.130 50 0 GGAAMO O=C(NC[C@@H]1CCC[N@@H+](Cc2ccco2)C1)N1CCC(Oc2ccncc2)CC1 ZINC000584903560 570274023 /nfs/dbraw/zinc/27/40/23/570274023.db2.gz FVPUFDYGMOEPNI-SFHVURJKSA-N 1 1 398.507 3.140 50 0 GGAAMO C[N@H+]1CC[C@@H](NC(=O)N(CCc2c[nH]c3ccccc23)Cc2cccnc2)C1 ZINC000584903675 570274509 /nfs/dbraw/zinc/27/45/09/570274509.db2.gz ZOCVQUXBLJYKTN-LJQANCHMSA-N 1 1 377.492 3.021 50 0 GGAAMO CC[N@H+]1CCC[C@H]1CN1CCn2c3ccc(NC(=O)CC(C)C)cc3nc2C1 ZINC000020678095 570275022 /nfs/dbraw/zinc/27/50/22/570275022.db2.gz VBUVYDNALFOKGK-SFHVURJKSA-N 1 1 383.540 3.321 50 0 GGAAMO OCC[C@H]1CN(Cc2cccc(-n3cccn3)c2)CC[N@H+]1Cc1cccs1 ZINC000020777554 570279850 /nfs/dbraw/zinc/27/98/50/570279850.db2.gz BGQLVCYKFTZFLA-FQEVSTJZSA-N 1 1 382.533 3.003 50 0 GGAAMO OCC[C@H]1C[N@H+](Cc2cccc(-n3cccn3)c2)CCN1Cc1cccs1 ZINC000020777554 570279854 /nfs/dbraw/zinc/27/98/54/570279854.db2.gz BGQLVCYKFTZFLA-FQEVSTJZSA-N 1 1 382.533 3.003 50 0 GGAAMO OCC[C@H]1C[N@@H+](Cc2cccc(-n3cccn3)c2)CCN1Cc1cccs1 ZINC000020777554 570279857 /nfs/dbraw/zinc/27/98/57/570279857.db2.gz BGQLVCYKFTZFLA-FQEVSTJZSA-N 1 1 382.533 3.003 50 0 GGAAMO Cc1ccc(-n2cccn2)c(CN2CC[N@@H+](Cc3ccccc3)[C@@H](CCO)C2)c1 ZINC000020778705 570280098 /nfs/dbraw/zinc/28/00/98/570280098.db2.gz MNRSATCGFNNSKA-QHCPKHFHSA-N 1 1 390.531 3.250 50 0 GGAAMO Cc1ccc(-n2cccn2)c(C[N@@H+]2CCN(Cc3ccccc3)[C@@H](CCO)C2)c1 ZINC000020778705 570280100 /nfs/dbraw/zinc/28/01/00/570280100.db2.gz MNRSATCGFNNSKA-QHCPKHFHSA-N 1 1 390.531 3.250 50 0 GGAAMO Cc1ccc(-n2cccn2)c(C[N@H+]2CCN(Cc3ccccc3)[C@@H](CCO)C2)c1 ZINC000020778705 570280101 /nfs/dbraw/zinc/28/01/01/570280101.db2.gz MNRSATCGFNNSKA-QHCPKHFHSA-N 1 1 390.531 3.250 50 0 GGAAMO OCC1CCN([C@H]2CCC[N@H+](C3CCN(c4cccc(Cl)c4)CC3)C2)CC1 ZINC000020785022 570280474 /nfs/dbraw/zinc/28/04/74/570280474.db2.gz XDSZCPJAZFTUDJ-QFIPXVFZSA-N 1 1 391.987 3.478 50 0 GGAAMO OCC1CC[NH+]([C@H]2CCCN(C3CCN(c4cccc(Cl)c4)CC3)C2)CC1 ZINC000020785022 570280475 /nfs/dbraw/zinc/28/04/75/570280475.db2.gz XDSZCPJAZFTUDJ-QFIPXVFZSA-N 1 1 391.987 3.478 50 0 GGAAMO OCC[C@H]1CN(Cc2ccc3cc(F)ccc3n2)CC[N@H+]1Cc1ccccc1 ZINC000020786031 570280645 /nfs/dbraw/zinc/28/06/45/570280645.db2.gz GRJSSLHGUQIAOT-QFIPXVFZSA-N 1 1 379.479 3.443 50 0 GGAAMO Cc1ccc(C(C)C)c(OCC(=O)N2CC[NH+](CCc3ccncc3)CC2)c1 ZINC000020896969 570283691 /nfs/dbraw/zinc/28/36/91/570283691.db2.gz DIDDPPNTVBFNNP-UHFFFAOYSA-N 1 1 381.520 3.279 50 0 GGAAMO Fc1ccc2nc(CN3CCC[C@@H]([NH+]4CCN(c5ccccc5)CC4)C3)[nH]c2c1 ZINC000020905471 570283738 /nfs/dbraw/zinc/28/37/38/570283738.db2.gz QICNJFGOGDKNPL-HXUWFJFHSA-N 1 1 393.510 3.489 50 0 GGAAMO Cc1cc(OCC(=O)N2CC[NH+](CCc3ccncc3)CC2)cc(C)c1Cl ZINC000020896956 570283768 /nfs/dbraw/zinc/28/37/68/570283768.db2.gz XDLUZHXVVYHKTR-UHFFFAOYSA-N 1 1 387.911 3.118 50 0 GGAAMO COc1ccc(CN2CC[N@@H+](CCC(C)C)[C@@H](CCO)C2)c(Cl)c1OC ZINC000020909841 570284086 /nfs/dbraw/zinc/28/40/86/570284086.db2.gz BZRTWOGGYFAFOS-KRWDZBQOSA-N 1 1 384.948 3.272 50 0 GGAAMO CC[NH+]1CCN(C2(C(=O)NCCCC3CCCC3)Cc3ccccc3C2)CC1 ZINC000020916630 570284430 /nfs/dbraw/zinc/28/44/30/570284430.db2.gz QPBPKKHSZQPIHT-UHFFFAOYSA-N 1 1 383.580 3.248 50 0 GGAAMO OCC[C@@H]1C[N@@H+](Cc2ccc(-n3cccn3)cc2)CCN1Cc1ccccc1F ZINC000020997081 570286655 /nfs/dbraw/zinc/28/66/55/570286655.db2.gz YCXIXIQILLOCGE-JOCHJYFZSA-N 1 1 394.494 3.080 50 0 GGAAMO OCC[C@H]1C[N@@H+](Cc2ccc(-n3cccn3)cc2)CCN1Cc1ccccc1F ZINC000020997083 570286830 /nfs/dbraw/zinc/28/68/30/570286830.db2.gz YCXIXIQILLOCGE-QFIPXVFZSA-N 1 1 394.494 3.080 50 0 GGAAMO Cn1cnnc1Sc1ccc(C[N@@H+](C)Cc2ccccc2-n2cccn2)o1 ZINC000215266191 570286990 /nfs/dbraw/zinc/28/69/90/570286990.db2.gz YVTYFXZIVXZIHM-UHFFFAOYSA-N 1 1 380.477 3.377 50 0 GGAAMO O=C(N[C@H]1CCC[N@@H+](Cc2cccc(O)c2)C1)c1cnoc1-c1ccccc1 ZINC000215343565 570287460 /nfs/dbraw/zinc/28/74/60/570287460.db2.gz ZELHPPUKPCLGDQ-SFHVURJKSA-N 1 1 377.444 3.442 50 0 GGAAMO O=C(N[C@H]1CCC[N@H+](Cc2cccc(O)c2)C1)c1cnoc1-c1ccccc1 ZINC000215343565 570287464 /nfs/dbraw/zinc/28/74/64/570287464.db2.gz ZELHPPUKPCLGDQ-SFHVURJKSA-N 1 1 377.444 3.442 50 0 GGAAMO O=C(Nc1ccc2n[nH]cc2c1)c1cccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H](O)C3)c1 ZINC000102146496 570287583 /nfs/dbraw/zinc/28/75/83/570287583.db2.gz VQGRAKSFQOMZLM-PMOLBWCYSA-N 1 1 376.460 3.303 50 0 GGAAMO C[N@H+]1CCCC[C@H]1CC(=O)N1CCN(Cc2cccc(C(F)(F)F)c2)CC1 ZINC000215831225 570292123 /nfs/dbraw/zinc/29/21/23/570292123.db2.gz KAIBUFNFJKRDJQ-SFHVURJKSA-N 1 1 383.458 3.224 50 0 GGAAMO C[N@H+]1CC[C@H](C(=O)N2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)C1 ZINC000215855314 570292438 /nfs/dbraw/zinc/29/24/38/570292438.db2.gz UXZZKFBGPYMQNV-IBGZPJMESA-N 1 1 378.516 3.113 50 0 GGAAMO COC(=O)c1[nH]c2ccccc2c1NC(=O)CC[N@H+]1CCc2ccccc2C1 ZINC000004825298 570292870 /nfs/dbraw/zinc/29/28/70/570292870.db2.gz YGHYIUOLPVWVIE-UHFFFAOYSA-N 1 1 377.444 3.341 50 0 GGAAMO CN1CCN(CC[C@H]2CCCC[N@@H+]2Cc2cnn(-c3ccc(F)cc3)c2)CC1 ZINC000215962253 570293939 /nfs/dbraw/zinc/29/39/39/570293939.db2.gz IDNJIKWFCAVGGQ-OAQYLSRUSA-N 1 1 385.531 3.003 50 0 GGAAMO CN1CCN(CC[C@H]2CCCC[N@H+]2Cc2cnn(-c3ccc(F)cc3)c2)CC1 ZINC000215962253 570293940 /nfs/dbraw/zinc/29/39/40/570293940.db2.gz IDNJIKWFCAVGGQ-OAQYLSRUSA-N 1 1 385.531 3.003 50 0 GGAAMO Cc1nc(N2CCCCC2)cc(N2CCN(C(=O)Nc3ccc(F)cc3)CC2)[nH+]1 ZINC000021795153 570296441 /nfs/dbraw/zinc/29/64/41/570296441.db2.gz HTHCGMDMMATZDF-UHFFFAOYSA-N 1 1 398.486 3.269 50 0 GGAAMO O=c1cccc2n1C[C@@H]1C[C@H]2C[N@@H+](Cc2coc3ccc(Cl)cc3c2=O)C1 ZINC000022023164 570302253 /nfs/dbraw/zinc/30/22/53/570302253.db2.gz ZRRSAAOMHVTFBV-KGLIPLIRSA-N 1 1 382.847 3.227 50 0 GGAAMO CN1CC[N@@H+](Cc2cccc3c4ccccc4oc32)C[C@@]12CCNC(=O)CC2 ZINC000107412882 570309413 /nfs/dbraw/zinc/30/94/13/570309413.db2.gz KCFGGCDZSPNODE-HSZRJFAPSA-N 1 1 377.488 3.372 50 0 GGAAMO C[N@@H+]1CCN(Cc2cccc3c4ccccc4oc32)C[C@@]12CCNC(=O)CC2 ZINC000107412882 570309418 /nfs/dbraw/zinc/30/94/18/570309418.db2.gz KCFGGCDZSPNODE-HSZRJFAPSA-N 1 1 377.488 3.372 50 0 GGAAMO C[N@H+]1CCN(Cc2cccc3c4ccccc4oc32)C[C@@]12CCNC(=O)CC2 ZINC000107412882 570309421 /nfs/dbraw/zinc/30/94/21/570309421.db2.gz KCFGGCDZSPNODE-HSZRJFAPSA-N 1 1 377.488 3.372 50 0 GGAAMO Cc1cccc(CN2CC[N@H+](Cc3ccc4cc(F)ccc4n3)C[C@@H]2CCO)n1 ZINC000022912934 570334226 /nfs/dbraw/zinc/33/42/26/570334226.db2.gz BOQVRPNILLVDAS-QFIPXVFZSA-N 1 1 394.494 3.146 50 0 GGAAMO Cc1cccc(CN2CC[N@@H+](Cc3ccc4cc(F)ccc4n3)C[C@@H]2CCO)n1 ZINC000022912934 570334231 /nfs/dbraw/zinc/33/42/31/570334231.db2.gz BOQVRPNILLVDAS-QFIPXVFZSA-N 1 1 394.494 3.146 50 0 GGAAMO Cc1ccn2c(c1)nc(C(=O)N1CCCCCC1)c2CNCC[NH+]1CCCCC1 ZINC000022914219 570334727 /nfs/dbraw/zinc/33/47/27/570334727.db2.gz SYTPHCWRZVYNAE-UHFFFAOYSA-N 1 1 397.567 3.234 50 0 GGAAMO CC(C)(C)C[N@H+]1CCN(Cc2cnn(-c3ccc(Cl)cc3)c2)C[C@@H]1CCO ZINC000022919679 570335452 /nfs/dbraw/zinc/33/54/52/570335452.db2.gz YHVBISUWFMHAMX-FQEVSTJZSA-N 1 1 390.959 3.440 50 0 GGAAMO Cc1ccc(C[N@H+]2CCN(Cc3cccn3-c3nccs3)C[C@@H]2CCO)cc1 ZINC000022932871 570337850 /nfs/dbraw/zinc/33/78/50/570337850.db2.gz ZPLZCDCUJLVZAX-FQEVSTJZSA-N 1 1 396.560 3.311 50 0 GGAAMO CCc1ccc(NC(=O)[C@@H](NC(=O)[C@@H]2Cc3ccccc3C[NH2+]2)[C@H](C)CC)cc1 ZINC000035349304 570343483 /nfs/dbraw/zinc/34/34/83/570343483.db2.gz SEICFKQJPDFDPF-XGRCMKMKSA-N 1 1 393.531 3.433 50 0 GGAAMO CC(C)C[C@@H](NC(=O)[C@@H]1Cc2ccccc2C[NH2+]1)C(=O)N[C@@H](C)c1ccccc1 ZINC000035363906 570344357 /nfs/dbraw/zinc/34/43/57/570344357.db2.gz QCGAHBJAJFJKIV-BULFRSBZSA-N 1 1 393.531 3.109 50 0 biogenic GGAAMO CCc1ccc2oc(=O)cc(C[N@H+]3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)c2c1 ZINC000023127131 570345163 /nfs/dbraw/zinc/34/51/63/570345163.db2.gz ZCSWBPBKDNBKQC-AEFFLSMTSA-N 1 1 376.456 3.136 50 0 GGAAMO OCC[C@@H]1C[N@@H+](Cc2cccc3cnccc32)CCN1Cc1ccccc1F ZINC000023128582 570345325 /nfs/dbraw/zinc/34/53/25/570345325.db2.gz DDBWWHGSQPRSAI-OAQYLSRUSA-N 1 1 379.479 3.443 50 0 GGAAMO Cc1cccc(NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H]2Cc3ccccc3C[NH2+]2)c1 ZINC000035374801 570345438 /nfs/dbraw/zinc/34/54/38/570345438.db2.gz AOKIUFKHKQGZSF-LEWJYISDSA-N 1 1 379.504 3.179 50 0 GGAAMO CC[C@@H](C)[C@H](NC(=O)[C@@H]1Cc2ccccc2C[NH2+]1)C(=O)Nc1ccc(C)cc1 ZINC000035374805 570345461 /nfs/dbraw/zinc/34/54/61/570345461.db2.gz CIURKCQXEYADEO-CZAAIQMYSA-N 1 1 379.504 3.179 50 0 GGAAMO COc1ccccc1CN1C(=O)O[C@@H]2C[N@@H+](Cc3c[nH]c4ccccc34)C[C@@H]21 ZINC000023130405 570345755 /nfs/dbraw/zinc/34/57/55/570345755.db2.gz GNJUWYANEWPNAE-PZJWPPBQSA-N 1 1 377.444 3.382 50 0 GGAAMO COc1ccccc1CN1C(=O)O[C@@H]2C[N@H+](Cc3c[nH]c4ccccc34)C[C@@H]21 ZINC000023130405 570345758 /nfs/dbraw/zinc/34/57/58/570345758.db2.gz GNJUWYANEWPNAE-PZJWPPBQSA-N 1 1 377.444 3.382 50 0 GGAAMO CCn1c2ccccc2nc1CN1CC[N@H+](Cc2ccc(C)o2)[C@@H](CCO)C1 ZINC000023129690 570345826 /nfs/dbraw/zinc/34/58/26/570345826.db2.gz JMBFVKNKCDSJFK-SFHVURJKSA-N 1 1 382.508 3.026 50 0 GGAAMO CCn1c2ccccc2nc1CN1CC[N@@H+](Cc2ccc(C)o2)[C@@H](CCO)C1 ZINC000023129690 570345828 /nfs/dbraw/zinc/34/58/28/570345828.db2.gz JMBFVKNKCDSJFK-SFHVURJKSA-N 1 1 382.508 3.026 50 0 GGAAMO OCC[C@H]1CN(CC2=Cc3cc(Cl)ccc3OC2)CC[N@H+]1C1CCCC1 ZINC000023146129 570347002 /nfs/dbraw/zinc/34/70/02/570347002.db2.gz IJYVOONOXRMBLR-FQEVSTJZSA-N 1 1 376.928 3.427 50 0 GGAAMO CC[N@H+]1CCC[C@@H]1CN(Cc1cc2c(c(OC)c1)OCO2)Cc1ccccn1 ZINC000023247777 570352392 /nfs/dbraw/zinc/35/23/92/570352392.db2.gz CLUVZHNXRZWSES-LJQANCHMSA-N 1 1 383.492 3.305 50 0 GGAAMO C[C@H]1CCCN(C(=O)c2cccc(OC3CCN(C4CC[NH+](C)CC4)CC3)c2)C1 ZINC000023338201 570354970 /nfs/dbraw/zinc/35/49/70/570354970.db2.gz QKMOKKUSOWYASM-IBGZPJMESA-N 1 1 399.579 3.496 50 0 GGAAMO C[C@@H]1CCCN(C(=O)c2cccc(OC3CCN(C4CC[NH+](C)CC4)CC3)c2)C1 ZINC000023338199 570355004 /nfs/dbraw/zinc/35/50/04/570355004.db2.gz QKMOKKUSOWYASM-LJQANCHMSA-N 1 1 399.579 3.496 50 0 GGAAMO C[C@H](NC(=O)c1ccco1)c1nnc2n1CC[N@@H+](Cc1ccccc1Cl)CC2 ZINC000023339470 570355333 /nfs/dbraw/zinc/35/53/33/570355333.db2.gz CGOYKGBIQYPGOG-AWEZNQCLSA-N 1 1 399.882 3.074 50 0 GGAAMO C[C@H](NC(=O)c1ccco1)c1nnc2n1CC[N@H+](Cc1ccccc1Cl)CC2 ZINC000023339470 570355335 /nfs/dbraw/zinc/35/53/35/570355335.db2.gz CGOYKGBIQYPGOG-AWEZNQCLSA-N 1 1 399.882 3.074 50 0 GGAAMO CC(C)C[C@@H](C)[NH+]1CCC(N2CCC(C(=O)NCc3cccnc3)CC2)CC1 ZINC000023339103 570355370 /nfs/dbraw/zinc/35/53/70/570355370.db2.gz MJUMLCITDIZVQT-LJQANCHMSA-N 1 1 386.584 3.309 50 0 GGAAMO CC(C)C[C@H](C)[NH+]1CCC(N2CCC(C(=O)NCc3cccnc3)CC2)CC1 ZINC000023339105 570355386 /nfs/dbraw/zinc/35/53/86/570355386.db2.gz MJUMLCITDIZVQT-IBGZPJMESA-N 1 1 386.584 3.309 50 0 GGAAMO O=C(NC1CCCC1)[C@H]1CCC[N@@H+](C2CCN(C3Cc4ccccc4C3)CC2)C1 ZINC000023340141 570355887 /nfs/dbraw/zinc/35/58/87/570355887.db2.gz WEVVMQJXNUVDNL-NRFANRHFSA-N 1 1 395.591 3.389 50 0 GGAAMO O=C(NC1CCCC1)[C@H]1CCC[N@H+](C2CCN(C3Cc4ccccc4C3)CC2)C1 ZINC000023340141 570355890 /nfs/dbraw/zinc/35/58/90/570355890.db2.gz WEVVMQJXNUVDNL-NRFANRHFSA-N 1 1 395.591 3.389 50 0 GGAAMO CCn1nc(C)c(CN2CC[N@@H+](CCCc3ccccc3)[C@@H](CCO)C2)c1C ZINC000023358416 570356234 /nfs/dbraw/zinc/35/62/34/570356234.db2.gz QQNVOGBMYOEPIJ-QFIPXVFZSA-N 1 1 384.568 3.021 50 0 GGAAMO C[N@@H+](CCc1ccccc1)[C@H]1CCCN(Cc2cccn2-c2ncccn2)C1 ZINC000023373956 570357857 /nfs/dbraw/zinc/35/78/57/570357857.db2.gz JQTFGZCMSKUKAD-NRFANRHFSA-N 1 1 375.520 3.406 50 0 GGAAMO CCOc1ccc(C[N@H+]2CCN(Cc3ccc(OC)cc3)C[C@@H]2CCO)cc1 ZINC000023373712 570357900 /nfs/dbraw/zinc/35/79/00/570357900.db2.gz VHOSGTUZGACBBH-NRFANRHFSA-N 1 1 384.520 3.163 50 0 GGAAMO CCOc1ccc(CN2CC[N@H+](Cc3ccc(OC)cc3)C[C@@H]2CCO)cc1 ZINC000023373712 570357902 /nfs/dbraw/zinc/35/79/02/570357902.db2.gz VHOSGTUZGACBBH-NRFANRHFSA-N 1 1 384.520 3.163 50 0 GGAAMO CCOc1ccc(CN2CC[N@@H+](Cc3ccc(OC)cc3)C[C@@H]2CCO)cc1 ZINC000023373712 570357903 /nfs/dbraw/zinc/35/79/03/570357903.db2.gz VHOSGTUZGACBBH-NRFANRHFSA-N 1 1 384.520 3.163 50 0 GGAAMO Cc1ccccc1C[N@H+]1CCN(Cc2cccn2-c2cccnc2)C[C@@H]1CCO ZINC000023374978 570358237 /nfs/dbraw/zinc/35/82/37/570358237.db2.gz OFRVICKXDDDWTB-QHCPKHFHSA-N 1 1 390.531 3.250 50 0 GGAAMO CCOC(=O)N1CCN([C@H]2CCC[N@@H+](C/C=C/c3ccc(F)cc3)C2)CC1 ZINC000023374945 570358409 /nfs/dbraw/zinc/35/84/09/570358409.db2.gz KRDNKEQXJDRMJE-GECPCNCSSA-N 1 1 375.488 3.077 50 0 GGAAMO CCOc1ccc(C[N@@H+]2CCN(Cc3nc4ccccc4[nH]3)C[C@@H]2CCO)cc1 ZINC000023375307 570358927 /nfs/dbraw/zinc/35/89/27/570358927.db2.gz OCJJQKDJJDWMKG-IBGZPJMESA-N 1 1 394.519 3.030 50 0 GGAAMO CCOc1ccc(C[N@H+]2CCN(Cc3nc4ccccc4[nH]3)C[C@@H]2CCO)cc1 ZINC000023375307 570358930 /nfs/dbraw/zinc/35/89/30/570358930.db2.gz OCJJQKDJJDWMKG-IBGZPJMESA-N 1 1 394.519 3.030 50 0 GGAAMO CN(C[C@@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)CCCc1nc(-c2cccnc2)no1 ZINC000604405524 570361714 /nfs/dbraw/zinc/36/17/14/570361714.db2.gz PIZMLHXPEGJFQK-RBUKOAKNSA-N 1 1 397.523 3.177 50 0 biogenic GGAAMO COc1ccc([C@H](NC(=O)N2CC[NH+](CCc3ccncc3)CC2)C(C)C)cc1 ZINC000604418454 570362495 /nfs/dbraw/zinc/36/24/95/570362495.db2.gz DWAMKMLTPQLLML-JOCHJYFZSA-N 1 1 396.535 3.357 50 0 GGAAMO CCOC(=O)C1=C(C[NH2+]C2CCCCC2)NC(=O)N[C@H]1c1cc(C)ccc1C ZINC000004195663 570362669 /nfs/dbraw/zinc/36/26/69/570362669.db2.gz IZXVKZHCBULOQX-FQEVSTJZSA-N 1 1 385.508 3.397 50 0 GGAAMO CCOC(=O)C1=C(C[NH2+]C2CCCCC2)NC(=O)N[C@@H]1c1cc(C)ccc1C ZINC000004195662 570362682 /nfs/dbraw/zinc/36/26/82/570362682.db2.gz IZXVKZHCBULOQX-HXUWFJFHSA-N 1 1 385.508 3.397 50 0 GGAAMO NC(=O)c1ccc([C@H]2CCC[N@H+]2Cc2cc(=O)n3c4c(cccc24)CCC3)s1 ZINC000023478728 570363340 /nfs/dbraw/zinc/36/33/40/570363340.db2.gz RLQHYNRVTAPARN-QGZVFWFLSA-N 1 1 393.512 3.445 50 0 GGAAMO Cc1nc[nH]c1C[N@@H+]1CCc2c(cnc(C)c2-c2noc(-c3ccncc3)n2)C1 ZINC000023582005 570366385 /nfs/dbraw/zinc/36/63/85/570366385.db2.gz SAHKBBCECKCNLC-UHFFFAOYSA-N 1 1 387.447 3.092 50 0 GGAAMO Cc1nc[nH]c1C[N@H+]1CCc2c(cnc(C)c2-c2noc(-c3ccncc3)n2)C1 ZINC000023582005 570366387 /nfs/dbraw/zinc/36/63/87/570366387.db2.gz SAHKBBCECKCNLC-UHFFFAOYSA-N 1 1 387.447 3.092 50 0 GGAAMO COc1ccccc1S(=O)(=O)NC[C@H](c1csc2ccccc21)[NH+](C)C ZINC000575622247 570369939 /nfs/dbraw/zinc/36/99/39/570369939.db2.gz YKMDCGNIGDVHRC-MRXNPFEDSA-N 1 1 390.530 3.491 50 0 GGAAMO O=C(Cc1ccccc1C(F)(F)F)N1CCC[N@H+](Cc2cccnc2)CC1 ZINC000219644536 570372230 /nfs/dbraw/zinc/37/22/30/570372230.db2.gz KACLQXUFUACFHQ-UHFFFAOYSA-N 1 1 377.410 3.377 50 0 GGAAMO O=C(Cc1ccccc1C(F)(F)F)N1CCC[N@@H+](Cc2cccnc2)CC1 ZINC000219644536 570372231 /nfs/dbraw/zinc/37/22/31/570372231.db2.gz KACLQXUFUACFHQ-UHFFFAOYSA-N 1 1 377.410 3.377 50 0 GGAAMO Cc1cc(C)cc(NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H]2Cc3ccccc3C[NH2+]2)c1 ZINC000035485508 570374681 /nfs/dbraw/zinc/37/46/81/570374681.db2.gz WTLYCFVRIWDEFT-FCHUYYIVSA-N 1 1 393.531 3.487 50 0 GGAAMO CCc1ccc(NC(=O)[C@@H](NC(=O)[C@@H]2Cc3ccccc3C[NH2+]2)[C@@H](C)CC)cc1 ZINC000035485497 570374755 /nfs/dbraw/zinc/37/47/55/570374755.db2.gz SEICFKQJPDFDPF-SSKFGXFMSA-N 1 1 393.531 3.433 50 0 GGAAMO Cc1ccc(NC(=O)[C@H](NC(=O)[C@@H]2Cc3ccccc3C[NH2+]2)C(C)C)c(C)c1 ZINC000035485477 570374838 /nfs/dbraw/zinc/37/48/38/570374838.db2.gz DHUDTOHWNVRFMM-LEWJYISDSA-N 1 1 379.504 3.097 50 0 GGAAMO Cc1ccc(NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H]2Cc3ccccc3C[NH2+]2)c(C)c1 ZINC000035485512 570374848 /nfs/dbraw/zinc/37/48/48/570374848.db2.gz AKSWKQMWUKMJRX-FCHUYYIVSA-N 1 1 393.531 3.487 50 0 GGAAMO Cc1ccc(C(=O)Nc2cccc(-c3ccc(N4CC[NH+](C)CC4)nn3)c2)cc1 ZINC000004939837 570376237 /nfs/dbraw/zinc/37/62/37/570376237.db2.gz WXZBAAWALIBADK-UHFFFAOYSA-N 1 1 387.487 3.456 50 0 GGAAMO CCc1cc2c(ncnc2N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)s1 ZINC000004476226 570376819 /nfs/dbraw/zinc/37/68/19/570376819.db2.gz WZZZNXGNISTCIL-UHFFFAOYSA-N 1 1 382.489 3.305 50 0 GGAAMO COc1ccc(CCC(=O)NCCC[N@@H+]2CCO[C@@H](c3ccccc3)C2)cc1 ZINC000035592960 570399318 /nfs/dbraw/zinc/39/93/18/570399318.db2.gz SWTMHQFBPZKRBS-JOCHJYFZSA-N 1 1 382.504 3.208 50 0 GGAAMO COc1ccc(CCC(=O)NCCC[N@H+]2CCO[C@@H](c3ccccc3)C2)cc1 ZINC000035592960 570399321 /nfs/dbraw/zinc/39/93/21/570399321.db2.gz SWTMHQFBPZKRBS-JOCHJYFZSA-N 1 1 382.504 3.208 50 0 GGAAMO COc1ccc(-n2nnnc2C2([NH2+]Cc3ccccc3)CCCC2)cc1OC ZINC000035622791 570404490 /nfs/dbraw/zinc/40/44/90/570404490.db2.gz TZKFTKJBYZLDKN-UHFFFAOYSA-N 1 1 379.464 3.239 50 0 GGAAMO COc1ccc([C@H]2[C@@H]3CCCC[C@@]3(O)CC[N@@H+]2CC(=O)NCc2ccco2)cc1 ZINC000017028530 570405520 /nfs/dbraw/zinc/40/55/20/570405520.db2.gz VHXFHGSCIYIYMT-ACIOBRDBSA-N 1 1 398.503 3.273 50 0 biogenic GGAAMO COc1ccc([C@H]2[C@@H]3CCCC[C@@]3(O)CC[N@H+]2CC(=O)NCc2ccco2)cc1 ZINC000017028530 570405523 /nfs/dbraw/zinc/40/55/23/570405523.db2.gz VHXFHGSCIYIYMT-ACIOBRDBSA-N 1 1 398.503 3.273 50 0 biogenic GGAAMO C[NH+]1CCN(NC(=O)c2cc(-c3cccc(Cl)c3)nc3ccccc32)CC1 ZINC000005048853 570426143 /nfs/dbraw/zinc/42/61/43/570426143.db2.gz ZCLSWANBIMRYSY-UHFFFAOYSA-N 1 1 380.879 3.447 50 0 GGAAMO C[N@@H+](CCc1ccccc1)C1(C(=O)N[C@H]2CC[C@H](O)CC2)Cc2ccccc2C1 ZINC000248111343 570440911 /nfs/dbraw/zinc/44/09/11/570440911.db2.gz KHBPPSYBMYCZPJ-YHBQERECSA-N 1 1 392.543 3.118 50 0 GGAAMO Cc1cc(C)cc(O[C@@H](C)C(=O)NCC2(N3CC[NH+](C)CC3)CCCCC2)c1 ZINC000027741614 570441260 /nfs/dbraw/zinc/44/12/60/570441260.db2.gz RHKHXJZPZOHDMB-FQEVSTJZSA-N 1 1 387.568 3.137 50 0 GGAAMO COc1ccc(-c2cc(C(=O)NC[C@@H](c3ccccc3OC)[NH+](C)C)no2)cc1 ZINC000028288784 570454897 /nfs/dbraw/zinc/45/48/97/570454897.db2.gz SCSSYONDQKVBHD-IBGZPJMESA-N 1 1 395.459 3.392 50 0 GGAAMO CC[NH+]1CCN(C(=O)c2c(NC(=O)c3ccco3)sc3c2CCCC3)CC1 ZINC000054214548 570456287 /nfs/dbraw/zinc/45/62/87/570456287.db2.gz BRTDBRSOSWSYPS-UHFFFAOYSA-N 1 1 387.505 3.250 50 0 GGAAMO COc1ccc2c(C)c(CC(=O)NC[C@@H]3CCC[N@H+]4CCCC[C@@H]34)c(=O)oc2c1 ZINC000028349614 570458485 /nfs/dbraw/zinc/45/84/85/570458485.db2.gz HUVRKZCEPVFQRB-JXFKEZNVSA-N 1 1 398.503 3.033 50 0 GGAAMO CC(=O)[C@@H]1[C@@H]2C(=O)N(c3ccc(C)c(C)c3)C(=O)[C@@H]2[C@@H]2c3ccccc3C=C[N@@H+]21 ZINC000035828560 570459481 /nfs/dbraw/zinc/45/94/81/570459481.db2.gz KNTFZHAJXHACOQ-MBDNFAEBSA-N 1 1 386.451 3.408 50 0 GGAAMO CC(=O)[C@@H]1[C@@H]2C(=O)N(c3ccc(C)c(C)c3)C(=O)[C@@H]2[C@@H]2c3ccccc3C=C[N@H+]21 ZINC000035828560 570459483 /nfs/dbraw/zinc/45/94/83/570459483.db2.gz KNTFZHAJXHACOQ-MBDNFAEBSA-N 1 1 386.451 3.408 50 0 GGAAMO Cc1noc2nc(C3CC3)cc(C(=O)N3CC[NH+](Cc4ccccc4)CC3)c12 ZINC000028799384 570464178 /nfs/dbraw/zinc/46/41/78/570464178.db2.gz RPOQPLZRWFTESM-UHFFFAOYSA-N 1 1 376.460 3.367 50 0 GGAAMO CC(C)c1ccc(NC(=O)[C@H]2CCCN2C(=O)[C@H]2Cc3ccccc3C[NH2+]2)cc1 ZINC000035855950 570465435 /nfs/dbraw/zinc/46/54/35/570465435.db2.gz NCESDYLKAONMPK-FGZHOGPDSA-N 1 1 391.515 3.454 50 0 GGAAMO Cc1cccc(-c2ncc(CN3CCC(CO)(C[NH+]4CCCC4)CC3)cn2)c1 ZINC000223430451 570465893 /nfs/dbraw/zinc/46/58/93/570465893.db2.gz ZSDDBTGYUZXGOH-UHFFFAOYSA-N 1 1 380.536 3.122 50 0 GGAAMO Cc1cc(C)c2c(nn3c2nc(C)cc3N2CCN(c3cccc(C)[nH+]3)CC2)n1 ZINC000006759516 570492400 /nfs/dbraw/zinc/49/24/00/570492400.db2.gz KKCJDUUMQOZPKU-UHFFFAOYSA-N 1 1 387.491 3.233 50 0 GGAAMO CCC[N@@H+]1CCc2c(sc(NC(=O)CSc3ccccc3)c2C(N)=O)C1 ZINC000005192217 570499418 /nfs/dbraw/zinc/49/94/18/570499418.db2.gz XSTKGWXHPVREKI-UHFFFAOYSA-N 1 1 389.546 3.346 50 0 GGAAMO CCC[N@H+]1CCc2c(sc(NC(=O)CSc3ccccc3)c2C(N)=O)C1 ZINC000005192217 570499422 /nfs/dbraw/zinc/49/94/22/570499422.db2.gz XSTKGWXHPVREKI-UHFFFAOYSA-N 1 1 389.546 3.346 50 0 GGAAMO CCCCc1ncc(-c2cc(C(=O)N3CC[NH+](C)CC3)c3ccccc3n2)cn1 ZINC000032565263 570511445 /nfs/dbraw/zinc/51/14/45/570511445.db2.gz JJZANVPEWIOLMC-UHFFFAOYSA-N 1 1 389.503 3.422 50 0 GGAAMO Cn1ncc2c3nc(C4CC[NH+](Cc5ccc(F)cc5Cl)CC4)nn3cnc21 ZINC000002800523 570516819 /nfs/dbraw/zinc/51/68/19/570516819.db2.gz XUNQCQDOJURHGW-UHFFFAOYSA-N 1 1 399.861 3.183 50 0 GGAAMO Cc1ccc(C(=O)N2CCN(c3cc(N4CCCCC4)nc(C)[nH+]3)CC2)cc1C ZINC000033318279 570524817 /nfs/dbraw/zinc/52/48/17/570524817.db2.gz WMRLYWZTQROEGR-UHFFFAOYSA-N 1 1 393.535 3.355 50 0 GGAAMO O=C1C[C@@H]([N@H+]2CCCC[C@@H]2CCO)C(=O)N1c1ccc(Oc2ccccc2)cc1 ZINC000006669867 570527966 /nfs/dbraw/zinc/52/79/66/570527966.db2.gz GXSPUGSBLXUWIE-DYESRHJHSA-N 1 1 394.471 3.348 50 0 GGAAMO O=C1C[C@@H]([N@@H+]2CCCC[C@@H]2CCO)C(=O)N1c1ccc(Oc2ccccc2)cc1 ZINC000006669867 570527969 /nfs/dbraw/zinc/52/79/69/570527969.db2.gz GXSPUGSBLXUWIE-DYESRHJHSA-N 1 1 394.471 3.348 50 0 GGAAMO COc1cc2c(cc1OC)[C@H](C)[N@H+](Cc1cc(=O)n3cc(C)ccc3n1)CC2 ZINC000005354330 570559690 /nfs/dbraw/zinc/55/96/90/570559690.db2.gz ZTTOEHUPTRRIRY-HNNXBMFYSA-N 1 1 379.460 3.139 50 0 GGAAMO COc1cc2c(cc1OC)[C@H](C)[N@@H+](Cc1cc(=O)n3cc(C)ccc3n1)CC2 ZINC000005354330 570559696 /nfs/dbraw/zinc/55/96/96/570559696.db2.gz ZTTOEHUPTRRIRY-HNNXBMFYSA-N 1 1 379.460 3.139 50 0 GGAAMO COc1ccc(OC)c(CN2CC[N@@H+](CCCc3ccccc3)[C@H](CCO)C2)c1 ZINC000036379416 570564055 /nfs/dbraw/zinc/56/40/55/570564055.db2.gz IRASVPCZGURRLA-JOCHJYFZSA-N 1 1 398.547 3.205 50 0 GGAAMO Cc1cccc(-c2ncc(CN3CC[N@@H+](C4CCCC4)[C@H](CCO)C3)cn2)c1 ZINC000036385662 570564494 /nfs/dbraw/zinc/56/44/94/570564494.db2.gz MMCRLOKJHVIPTR-JOCHJYFZSA-N 1 1 380.536 3.263 50 0 GGAAMO COc1ccccc1/C=C/CN1CC[N@H+](Cc2ccc(F)cc2)[C@H](CCO)C1 ZINC000036385683 570564873 /nfs/dbraw/zinc/56/48/73/570564873.db2.gz JYKSHTOVDNWVEL-UKKYDJSUSA-N 1 1 384.495 3.416 50 0 GGAAMO COc1ccccc1/C=C/CN1CC[N@@H+](Cc2ccc(F)cc2)[C@H](CCO)C1 ZINC000036385683 570564875 /nfs/dbraw/zinc/56/48/75/570564875.db2.gz JYKSHTOVDNWVEL-UKKYDJSUSA-N 1 1 384.495 3.416 50 0 GGAAMO COc1ccccc1/C=C/C[N@@H+]1CCN(Cc2ccc(F)cc2)[C@H](CCO)C1 ZINC000036385683 570564877 /nfs/dbraw/zinc/56/48/77/570564877.db2.gz JYKSHTOVDNWVEL-UKKYDJSUSA-N 1 1 384.495 3.416 50 0 GGAAMO COc1ccccc1/C=C/C[N@H+]1CCN(Cc2ccc(F)cc2)[C@H](CCO)C1 ZINC000036385683 570564878 /nfs/dbraw/zinc/56/48/78/570564878.db2.gz JYKSHTOVDNWVEL-UKKYDJSUSA-N 1 1 384.495 3.416 50 0 GGAAMO Cn1cc(CN2CC[N@@H+](Cc3ccccc3)[C@H](CCO)C2)c(-c2ccccc2)n1 ZINC000036385665 570564907 /nfs/dbraw/zinc/56/49/07/570564907.db2.gz YWVOIDLITDZIKP-HSZRJFAPSA-N 1 1 390.531 3.156 50 0 GGAAMO Cn1cc(C[N@@H+]2CCN(Cc3ccccc3)[C@H](CCO)C2)c(-c2ccccc2)n1 ZINC000036385665 570564908 /nfs/dbraw/zinc/56/49/08/570564908.db2.gz YWVOIDLITDZIKP-HSZRJFAPSA-N 1 1 390.531 3.156 50 0 GGAAMO Cn1cc(C[N@H+]2CCN(Cc3ccccc3)[C@H](CCO)C2)c(-c2ccccc2)n1 ZINC000036385665 570564909 /nfs/dbraw/zinc/56/49/09/570564909.db2.gz YWVOIDLITDZIKP-HSZRJFAPSA-N 1 1 390.531 3.156 50 0 GGAAMO CCOc1cc(CN2CC[N@@H+](CCc3ccccc3)[C@H](CCO)C2)ccc1OC ZINC000036385606 570564930 /nfs/dbraw/zinc/56/49/30/570564930.db2.gz XNNWOOLMOFRIHI-JOCHJYFZSA-N 1 1 398.547 3.205 50 0 GGAAMO CCOc1ccc(CN2CC[N@@H+](CC3CCCCC3)[C@H](CCO)C2)cc1CO ZINC000039371602 570589985 /nfs/dbraw/zinc/58/99/85/570589985.db2.gz GPYWGKJGMHMQMI-JOCHJYFZSA-N 1 1 390.568 3.027 50 0 GGAAMO CCc1ccc(C[N@H+]2CCN(Cc3cc(OC)cc(OC)c3)[C@H](CCO)C2)cc1 ZINC000039412665 570590847 /nfs/dbraw/zinc/59/08/47/570590847.db2.gz ZSVXHYIGWXTMFN-JOCHJYFZSA-N 1 1 398.547 3.335 50 0 GGAAMO CCOc1ccccc1CN1CC[N@H+](Cc2cccc(OC)c2)[C@H](CCO)C1 ZINC000039445553 570591285 /nfs/dbraw/zinc/59/12/85/570591285.db2.gz FSLRUFCVTQOTQI-OAQYLSRUSA-N 1 1 384.520 3.163 50 0 GGAAMO CCOc1ccccc1CN1CC[N@@H+](Cc2cccc(OC)c2)[C@H](CCO)C1 ZINC000039445553 570591289 /nfs/dbraw/zinc/59/12/89/570591289.db2.gz FSLRUFCVTQOTQI-OAQYLSRUSA-N 1 1 384.520 3.163 50 0 GGAAMO CCn1c2ccccc2nc1CN1CC[N@H+](Cc2ccsc2)[C@H](CCO)C1 ZINC000039442205 570591313 /nfs/dbraw/zinc/59/13/13/570591313.db2.gz BQTDJKIBBVSBGJ-GOSISDBHSA-N 1 1 384.549 3.187 50 0 GGAAMO CCn1c2ccccc2nc1CN1CC[N@@H+](Cc2ccsc2)[C@H](CCO)C1 ZINC000039442205 570591317 /nfs/dbraw/zinc/59/13/17/570591317.db2.gz BQTDJKIBBVSBGJ-GOSISDBHSA-N 1 1 384.549 3.187 50 0 GGAAMO COCc1cc(CN2CC[N@@H+](CC3CCCCC3)[C@H](CCO)C2)ccc1OC ZINC000039420563 570591489 /nfs/dbraw/zinc/59/14/89/570591489.db2.gz GBLKZRIASYNETA-JOCHJYFZSA-N 1 1 390.568 3.291 50 0 GGAAMO CC(=O)c1cc(CN2CC[N@@H+](CCCc3ccccc3)[C@H](CCO)C2)cs1 ZINC000039543512 570593353 /nfs/dbraw/zinc/59/33/53/570593353.db2.gz MZSMYRRXQWNXRF-OAQYLSRUSA-N 1 1 386.561 3.452 50 0 GGAAMO CCOc1cc(CN2CC[N@@H+](Cc3ccccc3)[C@H](CCO)C2)ccc1OC ZINC000039532394 570593563 /nfs/dbraw/zinc/59/35/63/570593563.db2.gz WJVPAXUDLBPLFM-OAQYLSRUSA-N 1 1 384.520 3.163 50 0 GGAAMO COc1ccc([C@H]2[C@H]3CCCC[C@]3(O)CC[N@@H+]2CC(=O)NCc2ccco2)cc1 ZINC000006846050 570646400 /nfs/dbraw/zinc/64/64/00/570646400.db2.gz VHXFHGSCIYIYMT-PUHATCMVSA-N 1 1 398.503 3.273 50 0 biogenic GGAAMO COc1ccc([C@H]2[C@H]3CCCC[C@]3(O)CC[N@H+]2CC(=O)NCc2ccco2)cc1 ZINC000006846050 570646401 /nfs/dbraw/zinc/64/64/01/570646401.db2.gz VHXFHGSCIYIYMT-PUHATCMVSA-N 1 1 398.503 3.273 50 0 biogenic GGAAMO COc1ccc([C@@H]2[C@H]3CCCC[C@]3(O)CC[N@@H+]2CC(=O)NCc2ccco2)cc1 ZINC000006845492 570646403 /nfs/dbraw/zinc/64/64/03/570646403.db2.gz VHXFHGSCIYIYMT-MZYLBHOOSA-N 1 1 398.503 3.273 50 0 GGAAMO COc1ccc([C@@H]2[C@H]3CCCC[C@]3(O)CC[N@H+]2CC(=O)NCc2ccco2)cc1 ZINC000006845492 570646404 /nfs/dbraw/zinc/64/64/04/570646404.db2.gz VHXFHGSCIYIYMT-MZYLBHOOSA-N 1 1 398.503 3.273 50 0 GGAAMO O=c1cc(CCn2cccn2)nc(-c2ccc(C[N@H+]3CCCCC34CC4)cc2)[nH]1 ZINC000048090885 570655310 /nfs/dbraw/zinc/65/53/10/570655310.db2.gz HSDFMJKPCITNCL-UHFFFAOYSA-N 1 1 389.503 3.395 50 0 GGAAMO C[C@H]1CCC[N@@H+](Cc2ccc(-c3nc(CCn4cccn4)cc(=O)[nH]3)cc2)C1 ZINC000048087897 570655336 /nfs/dbraw/zinc/65/53/36/570655336.db2.gz AVBZFMTYIYXORG-KRWDZBQOSA-N 1 1 377.492 3.108 50 0 GGAAMO COC[C@@H]1CCC[N@@H+](Cc2cccc(-c3nc(-c4cccnc4)cc(=O)[nH]3)c2)C1 ZINC000048379488 570657857 /nfs/dbraw/zinc/65/78/57/570657857.db2.gz XNNZNWZAPOPVBO-GOSISDBHSA-N 1 1 390.487 3.357 50 0 GGAAMO Cc1cccc(C[N@@H+]2CCC[C@@H](CCC(=O)N(C)CCc3ccccn3)C2)n1 ZINC000012449341 570668216 /nfs/dbraw/zinc/66/82/16/570668216.db2.gz KTNZKWTYXOFPFJ-FQEVSTJZSA-N 1 1 380.536 3.478 50 0 GGAAMO CC(=O)Nc1cccc(C(=O)N[C@@H]2CCC[N@@H+](CCCc3ccccc3)C2)c1 ZINC000012477024 570673698 /nfs/dbraw/zinc/67/36/98/570673698.db2.gz XIXSSNAZUWXABJ-JOCHJYFZSA-N 1 1 379.504 3.472 50 0 GGAAMO COc1ccc(OCc2cc(C(=O)N(C)[C@@H]3CC[N@@H+](C)C3)no2)c2ccccc12 ZINC000012480476 570674468 /nfs/dbraw/zinc/67/44/68/570674468.db2.gz AGEQUMIEORRRFU-OAHLLOKOSA-N 1 1 395.459 3.192 50 0 GGAAMO Cc1c(C[N@@H+]2CCC[C@H](c3nc(C(C)C)no3)C2)c2ccccc2n1CC(N)=O ZINC000055042096 570679939 /nfs/dbraw/zinc/67/99/39/570679939.db2.gz BLSKELUJZCPIOI-INIZCTEOSA-N 1 1 395.507 3.321 50 0 GGAAMO NC(=O)Cn1cc(C[N@H+](Cc2ccc(F)cc2)C[C@@H]2CCCO2)c2ccccc21 ZINC000055042155 570680012 /nfs/dbraw/zinc/68/00/12/570680012.db2.gz PECIXFWSVBSYBR-FQEVSTJZSA-N 1 1 395.478 3.447 50 0 GGAAMO Cc1cc(C)c(NC(=O)C[NH+]2CCCCC2)cc1NC(=O)CN1CCCCC1 ZINC000003093294 570680326 /nfs/dbraw/zinc/68/03/26/570680326.db2.gz VHEBEHSPOITZIE-UHFFFAOYSA-N 1 1 386.540 3.152 50 0 GGAAMO COc1cccc(C(=O)N2CCC[C@H]([NH+]3CCN(c4ccccc4F)CC3)C2)c1 ZINC000055071569 570681646 /nfs/dbraw/zinc/68/16/46/570681646.db2.gz WDKABGLBZIEYFU-IBGZPJMESA-N 1 1 397.494 3.261 50 0 GGAAMO COc1ccccc1C(=O)N1CCC[C@H]([NH+]2CCN(c3ccccc3F)CC2)C1 ZINC000055074453 570682088 /nfs/dbraw/zinc/68/20/88/570682088.db2.gz VLHJNXOGFDRDIJ-SFHVURJKSA-N 1 1 397.494 3.261 50 0 GGAAMO Cc1ncsc1C(=O)N1CCC[C@@H]([NH+]2CCN(c3ccccc3C)CC2)C1 ZINC000055120377 570684061 /nfs/dbraw/zinc/68/40/61/570684061.db2.gz DBUHIIBNHBJYHR-GOSISDBHSA-N 1 1 384.549 3.187 50 0 GGAAMO CC(C)n1cc(C(=O)N2CCC[C@@H]([NH+]3CCN(c4ccc(F)cc4)CC3)C2)cn1 ZINC000055154992 570685284 /nfs/dbraw/zinc/68/52/84/570685284.db2.gz UTMFQQSJYUPDMV-OAQYLSRUSA-N 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1 389.503 3.129 50 0 GGAAMO O=C(c1ccc2[nH]nnc2c1)N1CC[C@]2(C1)CCC[N@H+](CCc1ccccc1)C2 ZINC000012429318 1399042004 /nfs/dbraw/zinc/04/20/04/1399042004.db2.gz ASIPBEYQHQXHOR-HSZRJFAPSA-N 1 1 389.503 3.129 50 0 GGAAMO O=C(c1ccc2[nH]nnc2c1)N1CC[C@]2(C1)CCC[N@@H+](CCc1ccccc1)C2 ZINC000012429318 1399042008 /nfs/dbraw/zinc/04/20/08/1399042008.db2.gz ASIPBEYQHQXHOR-HSZRJFAPSA-N 1 1 389.503 3.129 50 0 GGAAMO CC[N@@H+](Cc1ccncc1)[C@H]1CCCN(C(=O)Nc2ccccc2C(=O)OC)C1 ZINC000012448396 1399043951 /nfs/dbraw/zinc/04/39/51/1399043951.db2.gz DJHFIKFUWOXBBY-SFHVURJKSA-N 1 1 396.491 3.387 50 0 GGAAMO Cc1ccc(-c2cnnc(N3CCC([N@H+]4CCc5ccccc5C4)CC3)n2)o1 ZINC000012572428 1399047610 /nfs/dbraw/zinc/04/76/10/1399047610.db2.gz QCZJDCGWVBIQAX-UHFFFAOYSA-N 1 1 375.476 3.467 50 0 GGAAMO CCCn1cc(C[N@@H+]2CCc3ccc(NC(=O)[C@@H]4CCCO4)cc3C2)c(C)n1 ZINC000012594680 1399049802 /nfs/dbraw/zinc/04/98/02/1399049802.db2.gz CXGOIQVTGKXELR-NRFANRHFSA-N 1 1 382.508 3.277 50 0 GGAAMO CCCn1cc(C[N@H+]2CCc3ccc(NC(=O)[C@@H]4CCCO4)cc3C2)c(C)n1 ZINC000012594680 1399049815 /nfs/dbraw/zinc/04/98/15/1399049815.db2.gz CXGOIQVTGKXELR-NRFANRHFSA-N 1 1 382.508 3.277 50 0 GGAAMO COCC[N@H+]1CCC[C@]2(CCN(Cc3cnn(-c4ccc(Cl)cc4)c3)C2)C1 ZINC000012702025 1399053815 /nfs/dbraw/zinc/05/38/15/1399053815.db2.gz HGLOUMBKNWBSJR-NRFANRHFSA-N 1 1 388.943 3.460 50 0 GGAAMO C[N@H+]1CCCC[C@H]1CCNC(=O)c1ccc(NCc2ccc3c(c2)OCO3)nc1 ZINC000012710146 1399054668 /nfs/dbraw/zinc/05/46/68/1399054668.db2.gz XBXQJNINVYIIPM-SFHVURJKSA-N 1 1 396.491 3.027 50 0 GGAAMO Cc1cccc(C[N@@H+]2CCC[C@@]3(CCN(C(=O)CCc4cnn(C)c4)C3)C2)c1 ZINC000012836700 1399060848 /nfs/dbraw/zinc/06/08/48/1399060848.db2.gz GNAVUVWPZXWERZ-HSZRJFAPSA-N 1 1 380.536 3.176 50 0 GGAAMO CCOC(=O)c1nn(Cc2ccccn2)c2c1C[N@H+](CCc1ccccc1)CC2 ZINC000014531261 1399109893 /nfs/dbraw/zinc/10/98/93/1399109893.db2.gz VMTRNQCGKJHVNY-UHFFFAOYSA-N 1 1 390.487 3.104 50 0 GGAAMO CCOC(=O)c1nn(Cc2ccccn2)c2c1C[N@@H+](CCc1ccccc1)CC2 ZINC000014531261 1399109899 /nfs/dbraw/zinc/10/98/99/1399109899.db2.gz VMTRNQCGKJHVNY-UHFFFAOYSA-N 1 1 390.487 3.104 50 0 GGAAMO CN(C)C(=O)c1nn(CCC(F)(F)F)c2c1C[N@H+](Cc1ccccc1)CC2 ZINC000014732266 1399116983 /nfs/dbraw/zinc/11/69/83/1399116983.db2.gz YBCFSNXICZOOOR-UHFFFAOYSA-N 1 1 380.414 3.096 50 0 GGAAMO CN(C)C(=O)c1nn(CCC(F)(F)F)c2c1C[N@@H+](Cc1ccccc1)CC2 ZINC000014732266 1399116992 /nfs/dbraw/zinc/11/69/92/1399116992.db2.gz YBCFSNXICZOOOR-UHFFFAOYSA-N 1 1 380.414 3.096 50 0 GGAAMO O=C([C@@H]1C[C@H](COc2cccnc2)C[N@@H+](Cc2ccccc2)C1)N1CCCC1 ZINC000014744858 1399117850 /nfs/dbraw/zinc/11/78/50/1399117850.db2.gz QYJQAGKOVRWXIM-LEWJYISDSA-N 1 1 379.504 3.221 50 0 GGAAMO Cc1noc(C)c1CO[C@@H]1CN(CC(C)C)C(=O)C[N@@H+](CCc2ccccc2)C1 ZINC000014752946 1399118401 /nfs/dbraw/zinc/11/84/01/1399118401.db2.gz NOOSTZQPJYBVLY-NRFANRHFSA-N 1 1 399.535 3.220 50 0 GGAAMO Cc1noc(C)c1CO[C@@H]1CN(CC(C)C)C(=O)C[N@H+](CCc2ccccc2)C1 ZINC000014752946 1399118407 /nfs/dbraw/zinc/11/84/07/1399118407.db2.gz NOOSTZQPJYBVLY-NRFANRHFSA-N 1 1 399.535 3.220 50 0 GGAAMO O=C(NC1CC1)[C@@H]1CCC[N@H+](C2CCN(Cc3ccc(Cl)c(F)c3)CC2)C1 ZINC000015075172 1399136685 /nfs/dbraw/zinc/13/66/85/1399136685.db2.gz BUONXNHBMJYILL-MRXNPFEDSA-N 1 1 393.934 3.434 50 0 GGAAMO CC[C@H]1CN(C(=O)c2ccc(NCc3ncccc3C)nc2)CC[N@H+]1C(C)C ZINC000019222484 1399328470 /nfs/dbraw/zinc/32/84/70/1399328470.db2.gz UGTWPOXRFTWUJI-IBGZPJMESA-N 1 1 381.524 3.342 50 0 GGAAMO Cc1nc(NC(=O)c2ccc([C@H]3CCC[N@H+]3CC3CCOCC3)s2)n(C)n1 ZINC000019334817 1399329947 /nfs/dbraw/zinc/32/99/47/1399329947.db2.gz WIFURDLVBJYVSG-OAHLLOKOSA-N 1 1 389.525 3.001 50 0 GGAAMO Cc1cc2cc(C(=O)N3CCC[C@@H](CCC(=O)N4CC[NH+](C)CC4)C3)ccc2o1 ZINC000019537334 1399331324 /nfs/dbraw/zinc/33/13/24/1399331324.db2.gz DOBPDDBPMAZYKS-SFHVURJKSA-N 1 1 397.519 3.148 50 0 GGAAMO CCCN(CC1CC1)C(=O)c1coc(CN2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000019595641 1399331770 /nfs/dbraw/zinc/33/17/70/1399331770.db2.gz BWMSUXSXVYUSKY-UHFFFAOYSA-N 1 1 396.535 3.255 50 0 GGAAMO O=c1cc(CN2CC[N@@H+](CC3CCCCC3)[C@@H](CCO)C2)[nH]c2ccccc12 ZINC000019595321 1399331956 /nfs/dbraw/zinc/33/19/56/1399331956.db2.gz UPYDZPNCHNWULR-FQEVSTJZSA-N 1 1 383.536 3.389 50 0 GGAAMO COC(=O)c1ccc(C[N@@H+]2CCc3ccc(NC(=O)[C@@H]4CCCO4)cc3C2)cc1 ZINC000019641655 1399333331 /nfs/dbraw/zinc/33/33/31/1399333331.db2.gz UZTKRDSMLYGDDX-NRFANRHFSA-N 1 1 394.471 3.149 50 0 GGAAMO COC(=O)c1ccc(C[N@H+]2CCc3ccc(NC(=O)[C@@H]4CCCO4)cc3C2)cc1 ZINC000019641655 1399333336 /nfs/dbraw/zinc/33/33/36/1399333336.db2.gz UZTKRDSMLYGDDX-NRFANRHFSA-N 1 1 394.471 3.149 50 0 GGAAMO COCCc1ncc(CN(C)[C@@H]2CCC[N@@H+](CCCc3ccccc3)C2)cn1 ZINC000019842191 1399339333 /nfs/dbraw/zinc/33/93/33/1399339333.db2.gz UTGKRZSAPZGMKQ-JOCHJYFZSA-N 1 1 382.552 3.195 50 0 GGAAMO COc1c2c(cc3c1[C@@H](CC(=O)CCc1ccc(O)cc1)[N@H+](C)CC3)OCO2 ZINC000020111810 1399342967 /nfs/dbraw/zinc/34/29/67/1399342967.db2.gz FDQAFLAYJZFRKU-GOSISDBHSA-N 1 1 383.444 3.251 50 0 biogenic GGAAMO COc1c2c(cc3c1[C@@H](CC(=O)CCc1ccc(O)cc1)[N@@H+](C)CC3)OCO2 ZINC000020111810 1399342972 /nfs/dbraw/zinc/34/29/72/1399342972.db2.gz FDQAFLAYJZFRKU-GOSISDBHSA-N 1 1 383.444 3.251 50 0 biogenic GGAAMO O=C(NCc1ccoc1)c1ccc([C@H]2CCC[N@H+]2Cc2cc[nH]c(=O)c2)s1 ZINC000020109609 1399343169 /nfs/dbraw/zinc/34/31/69/1399343169.db2.gz ASJHISJYMGREAQ-MRXNPFEDSA-N 1 1 383.473 3.297 50 0 GGAAMO CNc1cc(C(=O)N2CC[C@]3(C2)CCC[N@@H+](Cc2ccc(F)cc2)C3)ccn1 ZINC000020206357 1399343725 /nfs/dbraw/zinc/34/37/25/1399343725.db2.gz DOFWGGDLEBWHQT-JOCHJYFZSA-N 1 1 382.483 3.391 50 0 GGAAMO CSc1ccc(C[N@H+]2CCC[C@H](n3cc(C(=O)N4CCCC4)nn3)C2)cc1 ZINC000020271752 1399344675 /nfs/dbraw/zinc/34/46/75/1399344675.db2.gz WDERRRPXGCFCFJ-KRWDZBQOSA-N 1 1 385.537 3.073 50 0 GGAAMO COc1ccccc1[C@H]1[C@@H]2CCCC[C@@]2(O)CC[N@@H+]1CC(=O)NCc1ccco1 ZINC000020387067 1399345934 /nfs/dbraw/zinc/34/59/34/1399345934.db2.gz FRVRXELKQYUMKV-AJSBUHFISA-N 1 1 398.503 3.273 50 0 biogenic GGAAMO COc1ccccc1[C@H]1[C@@H]2CCCC[C@@]2(O)CC[N@H+]1CC(=O)NCc1ccco1 ZINC000020387067 1399345940 /nfs/dbraw/zinc/34/59/40/1399345940.db2.gz FRVRXELKQYUMKV-AJSBUHFISA-N 1 1 398.503 3.273 50 0 biogenic GGAAMO CCn1cc(CN2CCC[C@@H]([N@@H+](C)CCc3ccc(OC)c(OC)c3)C2)cn1 ZINC000020540789 1399348388 /nfs/dbraw/zinc/34/83/88/1399348388.db2.gz WIUKFUIEFWAQEX-HXUWFJFHSA-N 1 1 386.540 3.059 50 0 GGAAMO CCN(C)c1cc(-c2cccc(-c3ccn(C[C@H]4CC[N@@H+](C)C4)n3)c2)ncn1 ZINC000020540975 1399348483 /nfs/dbraw/zinc/34/84/83/1399348483.db2.gz ZQBDVZJBOOTCAJ-KRWDZBQOSA-N 1 1 376.508 3.415 50 0 GGAAMO OCC[C@@H]1CN(Cc2nc3c(s2)CCCC3)CC[N@H+]1CC1CCCCC1 ZINC000020536962 1399348591 /nfs/dbraw/zinc/34/85/91/1399348591.db2.gz ZOAZCFNGJXUBOT-GOSISDBHSA-N 1 1 377.598 3.471 50 0 GGAAMO CCn1cc(CN2CCC[C@H]([N@@H+](C)CCc3ccc(OC)c(OC)c3)C2)cn1 ZINC000020540791 1399348733 /nfs/dbraw/zinc/34/87/33/1399348733.db2.gz WIUKFUIEFWAQEX-FQEVSTJZSA-N 1 1 386.540 3.059 50 0 GGAAMO OCC[C@H]1CN(Cc2nc3c(s2)CCCC3)CC[N@H+]1CC1CCCCC1 ZINC000020536964 1399348853 /nfs/dbraw/zinc/34/88/53/1399348853.db2.gz ZOAZCFNGJXUBOT-SFHVURJKSA-N 1 1 377.598 3.471 50 0 GGAAMO O=c1cc(CN2CC[N@@H+](CCc3ccccc3)[C@@H](CCO)C2)[nH]c2ccccc12 ZINC000020600829 1399350120 /nfs/dbraw/zinc/35/01/20/1399350120.db2.gz HJNQAPKUVOGDOH-NRFANRHFSA-N 1 1 391.515 3.052 50 0 GGAAMO CSc1nccc(-c2cccc(-c3ccn(CC[NH+]4CCOCC4)n3)c2)n1 ZINC000020912680 1399356955 /nfs/dbraw/zinc/35/69/55/1399356955.db2.gz YVSXVKQACGAZKF-UHFFFAOYSA-N 1 1 381.505 3.061 50 0 GGAAMO Cc1ccc(-c2ccccc2CN2CCN(C3CC[NH+](C)CC3)[C@@H](CCO)C2)o1 ZINC000020919947 1399357523 /nfs/dbraw/zinc/35/75/23/1399357523.db2.gz FMOSXFOWKJMAJY-QFIPXVFZSA-N 1 1 397.563 3.218 50 0 GGAAMO Cc1ccc(-c2ccccc2CN2CC[N@@H+](C3CCN(C)CC3)[C@@H](CCO)C2)o1 ZINC000020919947 1399357530 /nfs/dbraw/zinc/35/75/30/1399357530.db2.gz FMOSXFOWKJMAJY-QFIPXVFZSA-N 1 1 397.563 3.218 50 0 GGAAMO Cc1ccc(-c2ccccc2CN2CC[N@H+](C3CCN(C)CC3)[C@@H](CCO)C2)o1 ZINC000020919947 1399357542 /nfs/dbraw/zinc/35/75/42/1399357542.db2.gz FMOSXFOWKJMAJY-QFIPXVFZSA-N 1 1 397.563 3.218 50 0 GGAAMO CC[N@@H+](Cc1ccncc1)[C@@H]1CCCN(Cc2cccn2-c2ncccn2)C1 ZINC000020992900 1399359873 /nfs/dbraw/zinc/35/98/73/1399359873.db2.gz ICHBRYSPVRDDPW-HXUWFJFHSA-N 1 1 376.508 3.149 50 0 GGAAMO CC[N@@H+](Cc1ccncc1)[C@H]1CCCN(Cc2cccn2-c2ncccn2)C1 ZINC000020992904 1399359904 /nfs/dbraw/zinc/35/99/04/1399359904.db2.gz ICHBRYSPVRDDPW-FQEVSTJZSA-N 1 1 376.508 3.149 50 0 GGAAMO CCOc1ccc(C(=O)N[C@H](C)[C@@H](c2cccs2)N2CC[NH+](C)CC2)cc1 ZINC000022459983 1399465690 /nfs/dbraw/zinc/46/56/90/1399465690.db2.gz DONPBWVNCQGRQV-UZLBHIALSA-N 1 1 387.549 3.254 50 0 GGAAMO O[C@H]1C[N@@H+](Cc2cccc(Oc3ccc(Cl)cc3)c2)C[C@@H]1N1CCOCC1 ZINC000022852918 1399510650 /nfs/dbraw/zinc/51/06/50/1399510650.db2.gz DLOWNFAGILUXSW-SFTDATJTSA-N 1 1 388.895 3.010 50 0 GGAAMO COc1cccc(CN2CC[N@@H+](Cc3cccc4cccnc43)C[C@@H]2CCO)c1 ZINC000022926179 1399517581 /nfs/dbraw/zinc/51/75/81/1399517581.db2.gz JMXRZGJLGSRJEV-QFIPXVFZSA-N 1 1 391.515 3.312 50 0 GGAAMO COc1cccc(C[N@@H+]2CCN(Cc3cccc4cccnc43)C[C@@H]2CCO)c1 ZINC000022926179 1399517584 /nfs/dbraw/zinc/51/75/84/1399517584.db2.gz JMXRZGJLGSRJEV-QFIPXVFZSA-N 1 1 391.515 3.312 50 0 GGAAMO COc1cccc(C[N@H+]2CCN(Cc3cccc4cccnc43)C[C@@H]2CCO)c1 ZINC000022926179 1399517588 /nfs/dbraw/zinc/51/75/88/1399517588.db2.gz JMXRZGJLGSRJEV-QFIPXVFZSA-N 1 1 391.515 3.312 50 0 GGAAMO c1cc(C[N@@H+]2CCC[C@@H](N3CCN(Cc4ccc5c(c4)OCO5)CC3)C2)cs1 ZINC000022930634 1399518496 /nfs/dbraw/zinc/51/84/96/1399518496.db2.gz NNOYHYSFPZWVTJ-HXUWFJFHSA-N 1 1 399.560 3.259 50 0 GGAAMO c1cc(CN2CCC[C@@H]([NH+]3CCN(Cc4ccc5c(c4)OCO5)CC3)C2)cs1 ZINC000022930634 1399518497 /nfs/dbraw/zinc/51/84/97/1399518497.db2.gz NNOYHYSFPZWVTJ-HXUWFJFHSA-N 1 1 399.560 3.259 50 0 GGAAMO C[N@@H+](CCc1cn[nH]c1)Cc1ccc(-c2nc(-c3ccoc3)cc(=O)[nH]2)cc1 ZINC000023128462 1399534481 /nfs/dbraw/zinc/53/44/81/1399534481.db2.gz IHFASJOCPDXWET-UHFFFAOYSA-N 1 1 375.432 3.095 50 0 GGAAMO Oc1ccc(C[N@H+]2CCc3nnc(CCc4ccccc4)n3CC2)cc1Cl ZINC000023145541 1399535530 /nfs/dbraw/zinc/53/55/30/1399535530.db2.gz HUTWKPFSSHLAFG-UHFFFAOYSA-N 1 1 382.895 3.481 50 0 GGAAMO Oc1ccc(C[N@@H+]2CCc3nnc(CCc4ccccc4)n3CC2)cc1Cl ZINC000023145541 1399535535 /nfs/dbraw/zinc/53/55/35/1399535535.db2.gz HUTWKPFSSHLAFG-UHFFFAOYSA-N 1 1 382.895 3.481 50 0 GGAAMO Cc1cc(=O)[nH]c(CNC(=O)c2ccc([C@@H]3CCC[N@H+]3C3CCCC3)s2)n1 ZINC000023250990 1399544392 /nfs/dbraw/zinc/54/43/92/1399544392.db2.gz UGJBSAVONKZEOE-HNNXBMFYSA-N 1 1 386.521 3.149 50 0 GGAAMO CN(C[C@@H]1Cc2ccccc2C[N@H+]1C)C(=O)c1cc(COc2ccccc2)[nH]n1 ZINC000023338653 1399550605 /nfs/dbraw/zinc/55/06/05/1399550605.db2.gz DYBCPGRQQNCCLT-FQEVSTJZSA-N 1 1 390.487 3.117 50 0 GGAAMO CN(C[C@@H]1Cc2ccccc2C[N@@H+]1C)C(=O)c1cc(COc2ccccc2)n[nH]1 ZINC000023338653 1399550620 /nfs/dbraw/zinc/55/06/20/1399550620.db2.gz DYBCPGRQQNCCLT-FQEVSTJZSA-N 1 1 390.487 3.117 50 0 GGAAMO CN(C[C@@H]1Cc2ccccc2C[N@H+]1C)C(=O)c1cc(COc2ccccc2)n[nH]1 ZINC000023338653 1399550626 /nfs/dbraw/zinc/55/06/26/1399550626.db2.gz DYBCPGRQQNCCLT-FQEVSTJZSA-N 1 1 390.487 3.117 50 0 GGAAMO C[N@H+]1CCCN(Cc2cccc(OC3CCN(C(=O)c4ccoc4)CC3)c2)CC1 ZINC000023339801 1399550801 /nfs/dbraw/zinc/55/08/01/1399550801.db2.gz QJWYMITXETZYNQ-UHFFFAOYSA-N 1 1 397.519 3.101 50 0 GGAAMO CN1CCC[N@H+](Cc2cccc(OC3CCN(C(=O)c4ccoc4)CC3)c2)CC1 ZINC000023339801 1399550804 /nfs/dbraw/zinc/55/08/04/1399550804.db2.gz QJWYMITXETZYNQ-UHFFFAOYSA-N 1 1 397.519 3.101 50 0 GGAAMO CN1CCC[N@@H+](Cc2cccc(OC3CCN(C(=O)c4ccoc4)CC3)c2)CC1 ZINC000023339801 1399550808 /nfs/dbraw/zinc/55/08/08/1399550808.db2.gz QJWYMITXETZYNQ-UHFFFAOYSA-N 1 1 397.519 3.101 50 0 GGAAMO CCOC(=O)c1cnn(-c2cccc(Cl)c2)c1CNC[C@H]1CCC[N@H+]1CC ZINC000023362869 1399553035 /nfs/dbraw/zinc/55/30/35/1399553035.db2.gz OMCNZSXUYNPKRP-QGZVFWFLSA-N 1 1 390.915 3.276 50 0 GGAAMO CCCCn1cnc2sc3c(c2c1=O)CC[C@H]([N@@H+](C)CCc1cnn(C)c1)C3 ZINC000023380041 1399554538 /nfs/dbraw/zinc/55/45/38/1399554538.db2.gz VBQBYOCKJQOIPZ-INIZCTEOSA-N 1 1 399.564 3.023 50 0 GGAAMO Cc1cc(=O)[nH]c(-c2cccc(C[N@H+]3CCC[C@@H](Oc4ccccn4)C3)c2)n1 ZINC000023581599 1399572349 /nfs/dbraw/zinc/57/23/49/1399572349.db2.gz DNSWYHDUTKYCMX-LJQANCHMSA-N 1 1 376.460 3.184 50 0 GGAAMO C[N@H+](Cc1ccc(-c2nc(-c3ccncc3)cc(=O)[nH]2)cc1)CC1CCOCC1 ZINC000048121836 1405063522 /nfs/dbraw/zinc/06/35/22/1405063522.db2.gz WSBHWCBVGGJFIV-UHFFFAOYSA-N 1 1 390.487 3.357 50 0 GGAAMO CCCc1cc(=O)[nH]c(-c2ccccc2C[N@@H+](C2CC2)C2CCN(C)CC2)n1 ZINC000048390812 1405176365 /nfs/dbraw/zinc/17/63/65/1405176365.db2.gz PNJGUQFNCUDKJJ-UHFFFAOYSA-N 1 1 380.536 3.448 50 0 GGAAMO O=C(NCC[NH+]1CCN(c2ccccc2)CC1)c1cccc(C(F)(F)F)c1 ZINC000056997097 1407495063 /nfs/dbraw/zinc/49/50/63/1407495063.db2.gz YKGQHUQIWDVOKH-UHFFFAOYSA-N 1 1 377.410 3.257 50 0 GGAAMO O=C(COc1ccc2ccccc2c1)NCC[NH+]1CCN(c2ccccc2)CC1 ZINC000056997092 1407495367 /nfs/dbraw/zinc/49/53/67/1407495367.db2.gz VKBUTVFREBVHQT-UHFFFAOYSA-N 1 1 389.499 3.157 50 0 GGAAMO CC[C@@H](O)Cn1cc(C2=CC[N@H+](Cc3ccc(C(F)(F)F)nc3)CC2)cn1 ZINC000065386874 1408664093 /nfs/dbraw/zinc/66/40/93/1408664093.db2.gz SVBLBGKFQOSNTD-QGZVFWFLSA-N 1 1 380.414 3.357 50 0 GGAAMO CC[C@@H](O)Cn1cc(C2=CC[N@@H+](Cc3ccc(C(F)(F)F)nc3)CC2)cn1 ZINC000065386874 1408664101 /nfs/dbraw/zinc/66/41/01/1408664101.db2.gz SVBLBGKFQOSNTD-QGZVFWFLSA-N 1 1 380.414 3.357 50 0 GGAAMO O=C(Nc1ccnn1C1CCN(c2[nH+]cnc3[nH]ccc32)CC1)C1CCCC1 ZINC000067723594 1409215685 /nfs/dbraw/zinc/21/56/85/1409215685.db2.gz UFUHDWZCVVQEFH-UHFFFAOYSA-N 1 1 379.468 3.125 50 0 GGAAMO c1nn2cc(C[NH+]3CCC(Nc4ncccn4)CC3)cnc2c1-c1ccccc1 ZINC000067947010 1409261945 /nfs/dbraw/zinc/26/19/45/1409261945.db2.gz BOCFISLTPSIVST-UHFFFAOYSA-N 1 1 385.475 3.263 50 0 GGAAMO CCc1nc(C[NH+]2CCC3(CCC(=O)N(C[C@@H]4CCCO4)C3)CC2)cs1 ZINC000091616314 1410074195 /nfs/dbraw/zinc/07/41/95/1410074195.db2.gz WSBHFGYHPXIGFQ-KRWDZBQOSA-N 1 1 377.554 3.089 50 0 GGAAMO c1nc(C2CC[NH+](Cc3cn(-c4ccccc4)nc3-c3ccncc3)CC2)n[nH]1 ZINC000093646185 1410257933 /nfs/dbraw/zinc/25/79/33/1410257933.db2.gz XVFWVZQAZVTXFL-UHFFFAOYSA-N 1 1 385.475 3.432 50 0 GGAAMO O=C(CCc1ncc(-c2ccccc2)o1)N1CC[NH+](CCc2ccccn2)CC1 ZINC000095479357 1410314493 /nfs/dbraw/zinc/31/44/93/1410314493.db2.gz ONJDPCOYVNEMLI-UHFFFAOYSA-N 1 1 390.487 3.056 50 0 GGAAMO C[NH+](C)CCCn1cnc2cc(NC(=O)c3cc(-c4cccnc4)n[nH]3)ccc21 ZINC000096117729 1410324023 /nfs/dbraw/zinc/32/40/23/1410324023.db2.gz GIEINDBRQUEYLX-UHFFFAOYSA-N 1 1 389.463 3.025 50 0 GGAAMO O=C(NC[C@H]1CCC[N@H+]2CCCC[C@H]12)c1cc(-c2ccc3c(c2)CCO3)n[nH]1 ZINC000096345213 1410327441 /nfs/dbraw/zinc/32/74/41/1410327441.db2.gz PPJSEGZYQGESOS-YLJYHZDGSA-N 1 1 380.492 3.006 50 0 GGAAMO COc1cccc(CN2CC[N@@H+](Cc3cccc4cnccc43)C[C@H]2CCO)c1 ZINC000104505151 1410897871 /nfs/dbraw/zinc/89/78/71/1410897871.db2.gz ZJHWCVJMSCDXSC-JOCHJYFZSA-N 1 1 391.515 3.312 50 0 GGAAMO COc1cccc(C[N@@H+]2CCN(Cc3cccc4cnccc43)C[C@H]2CCO)c1 ZINC000104505151 1410897872 /nfs/dbraw/zinc/89/78/72/1410897872.db2.gz ZJHWCVJMSCDXSC-JOCHJYFZSA-N 1 1 391.515 3.312 50 0 GGAAMO COc1cccc(C[N@H+]2CCN(Cc3cccc4cnccc43)C[C@H]2CCO)c1 ZINC000104505151 1410897874 /nfs/dbraw/zinc/89/78/74/1410897874.db2.gz ZJHWCVJMSCDXSC-JOCHJYFZSA-N 1 1 391.515 3.312 50 0 GGAAMO O=C(CN1CCC[N@H+](Cc2ccc(F)cc2)CC1)Nc1ccc(Cl)cn1 ZINC000198781945 1433351133 /nfs/dbraw/zinc/35/11/33/1433351133.db2.gz WPFWJPKSUIIVBS-UHFFFAOYSA-N 1 1 376.863 3.021 50 0 GGAAMO O=C(N1CC[C@@H]([N@H+]2CCc3ccccc3C2)C1)C1(c2ccccc2)CCOCC1 ZINC000225685295 1433367714 /nfs/dbraw/zinc/36/77/14/1433367714.db2.gz OLMKKCCIAWJEIF-HSZRJFAPSA-N 1 1 390.527 3.394 50 0 GGAAMO COc1ccc(/C=C/C(=O)N2CC[C@@H]([N@H+]3CCc4ccccc4C3)C2)cc1OC ZINC000225686539 1433367780 /nfs/dbraw/zinc/36/77/80/1433367780.db2.gz YOTWMUARGHPGLT-ZQAUEJBPSA-N 1 1 392.499 3.376 50 0 GGAAMO COc1ccc(/C=C/C(=O)N2CC[C@H]([N@H+]3CCc4ccccc4C3)C2)cc1OC ZINC000225686515 1433367805 /nfs/dbraw/zinc/36/78/05/1433367805.db2.gz YOTWMUARGHPGLT-DJGBTNNQSA-N 1 1 392.499 3.376 50 0 GGAAMO COc1ccc(-c2n[nH]cc2C(=O)NC[C@H]2CCC[N@H+]3CCCC[C@@H]23)cc1OC ZINC000230208975 1433372643 /nfs/dbraw/zinc/37/26/43/1433372643.db2.gz YHPWCOWFBXAUTA-AEFFLSMTSA-N 1 1 398.507 3.088 50 0 biogenic GGAAMO O=C(CCCc1nc(-c2ccccc2)no1)NC[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000230202867 1433372675 /nfs/dbraw/zinc/37/26/75/1433372675.db2.gz BUDHMTPSPADVKZ-MOPGFXCFSA-N 1 1 382.508 3.440 50 0 biogenic GGAAMO O=C(NC[C@@H]1CCC[N@H+]2CCCC[C@@H]12)[C@H]1CC(=O)N(c2ccccc2Cl)C1 ZINC000230206914 1433372682 /nfs/dbraw/zinc/37/26/82/1433372682.db2.gz COHMKRIXOONGBH-BQFCYCMXSA-N 1 1 389.927 3.074 50 0 biogenic GGAAMO C[C@@H]1C[N@@H+](CCC(=O)N(C)C[C@H]2CCCCO2)Cc2cc(Cl)ccc2O1 ZINC000248070920 1433767866 /nfs/dbraw/zinc/76/78/66/1433767866.db2.gz AWOKLVSTISWTQT-CRAIPNDOSA-N 1 1 380.916 3.341 50 0 GGAAMO COCCN(C[C@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)c1cc(-c2ccco2)n[nH]1 ZINC000409414777 231203344 /nfs/dbraw/zinc/20/33/44/231203344.db2.gz WRVCFCAGGBWLAG-VQIMIIECSA-N 1 1 386.496 3.023 50 0 GGAAMO COCCN(C[C@@H]1CCC[N@H+]2CCCC[C@@H]12)C(=O)c1cc(CCC(C)C)n[nH]1 ZINC000409414906 231203390 /nfs/dbraw/zinc/20/33/90/231203390.db2.gz YMOPELVKFMIKIS-RXVVDRJESA-N 1 1 390.572 3.351 50 0 GGAAMO COCCN(C[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)C(=O)c1cc(CCC(C)C)[nH]n1 ZINC000409414906 231203394 /nfs/dbraw/zinc/20/33/94/231203394.db2.gz YMOPELVKFMIKIS-RXVVDRJESA-N 1 1 390.572 3.351 50 0 GGAAMO COCCN(C[C@@H]1CCC[N@H+]2CCCC[C@@H]12)C(=O)c1cc(CCC(C)C)[nH]n1 ZINC000409414906 231203397 /nfs/dbraw/zinc/20/33/97/231203397.db2.gz YMOPELVKFMIKIS-RXVVDRJESA-N 1 1 390.572 3.351 50 0 GGAAMO COCCN(C[C@@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)Cc1cn(C)c2ccccc12 ZINC000409414513 231203569 /nfs/dbraw/zinc/20/35/69/231203569.db2.gz TUPVDPOEUSHURR-SIKLNZKXSA-N 1 1 397.563 3.460 50 0 biogenic GGAAMO COCCCN(C[C@@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)c1cc(CC(C)C)n[nH]1 ZINC000409414549 231203803 /nfs/dbraw/zinc/20/38/03/231203803.db2.gz MJDYLKVEQWCGOC-GHTZIAJQSA-N 1 1 390.572 3.351 50 0 biogenic GGAAMO COCCCN(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)c1cc(CC(C)C)[nH]n1 ZINC000409414549 231203806 /nfs/dbraw/zinc/20/38/06/231203806.db2.gz MJDYLKVEQWCGOC-GHTZIAJQSA-N 1 1 390.572 3.351 50 0 biogenic GGAAMO COCCCN(C[C@@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)c1cc(CC(C)C)[nH]n1 ZINC000409414549 231203809 /nfs/dbraw/zinc/20/38/09/231203809.db2.gz MJDYLKVEQWCGOC-GHTZIAJQSA-N 1 1 390.572 3.351 50 0 biogenic GGAAMO COCCN(C[C@H]1CCC[N@H+]2CCCC[C@@H]12)C(=O)c1cc(-c2ccco2)n[nH]1 ZINC000409414770 231203924 /nfs/dbraw/zinc/20/39/24/231203924.db2.gz WRVCFCAGGBWLAG-APWZRJJASA-N 1 1 386.496 3.023 50 0 GGAAMO COCCCN(C[C@@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)CCc1c(C)noc1C ZINC000409415089 231204224 /nfs/dbraw/zinc/20/42/24/231204224.db2.gz STZWUXKYVLLCRB-PZJWPPBQSA-N 1 1 391.556 3.354 50 0 biogenic GGAAMO Cc1cc(C)n(CCCN(C)C(=O)NCc2ccccc2-n2cc[nH+]c2C)n1 ZINC000426477537 231224796 /nfs/dbraw/zinc/22/47/96/231224796.db2.gz ILAAEWFSCZWVKX-UHFFFAOYSA-N 1 1 380.496 3.226 50 0 GGAAMO O=C(NCc1nc2ccc(Cl)cc2[nH]1)N1CCC[C@H](C[NH+]2CCCC2)C1 ZINC000426484920 231225871 /nfs/dbraw/zinc/22/58/71/231225871.db2.gz VRKMQJPSULLMCL-CQSZACIVSA-N 1 1 375.904 3.234 50 0 GGAAMO O=C(NCc1nc2ccc(Cl)cc2[nH]1)N1CCC[C@@H](C[NH+]2CCCC2)C1 ZINC000426484919 231226320 /nfs/dbraw/zinc/22/63/20/231226320.db2.gz VRKMQJPSULLMCL-AWEZNQCLSA-N 1 1 375.904 3.234 50 0 GGAAMO CO[C@]12CC[N@@H+](Cc3cnc(N(C)C)s3)[C@H]1C[C@@H](Oc1ccccn1)CC2 ZINC000426506677 231231404 /nfs/dbraw/zinc/23/14/04/231231404.db2.gz NQYHSRHMEDILIU-RIFZZMRRSA-N 1 1 388.537 3.195 50 0 GGAAMO COCCC[N@H+]1CC[C@H](CNC(=O)c2cccc(-c3ccc(O)c(F)c3)c2)C1 ZINC000426589865 231244177 /nfs/dbraw/zinc/24/41/77/231244177.db2.gz ZCKNPVBTJQDYAM-MRXNPFEDSA-N 1 1 386.467 3.287 50 0 GGAAMO CO[C@]12CC[N@@H+](CCCn3nc(C)cc3C)[C@H]1C[C@@H](Oc1ccccn1)CC2 ZINC000426602561 231245091 /nfs/dbraw/zinc/24/50/91/231245091.db2.gz VBQUPIWBRMMSFY-JAXLGGSGSA-N 1 1 384.524 3.376 50 0 GGAAMO Cc1[nH+]ccn1CCNC(=O)N1CC[C@@](O)(c2ccccc2)[C@H]2CCCC[C@H]21 ZINC000426443255 231223358 /nfs/dbraw/zinc/22/33/58/231223358.db2.gz KDILXSPMXRTPAM-TUNNFDKTSA-N 1 1 382.508 3.053 50 0 GGAAMO Cc1nnc(-c2ccc(-c3ccc(C(=O)N(C)[C@@H]4CC[N@@H+](C)C4)cc3)cc2)o1 ZINC000426693705 231253011 /nfs/dbraw/zinc/25/30/11/231253011.db2.gz JKMPIMMTMXPSFE-HXUWFJFHSA-N 1 1 376.460 3.488 50 0 GGAAMO COc1cc2cc(C(=O)NC[C@H]3CCC[N@H+]4CCCC[C@@H]34)n(C)c2cc1OC ZINC000504533391 231325035 /nfs/dbraw/zinc/32/50/35/231325035.db2.gz QOJNPOIRHXXSKM-WBVHZDCISA-N 1 1 385.508 3.190 50 0 GGAAMO CCc1ccc(CN2CCc3c(C(=O)N[C@@H]4CC[N@H+](CC)C4)csc3C2)nc1 ZINC000426515470 529644260 /nfs/dbraw/zinc/64/42/60/529644260.db2.gz CWDPCNXNZUTWCP-GOSISDBHSA-N 1 1 398.576 3.088 50 0 GGAAMO CCc1ccc(CN2CCc3c(C(=O)N[C@H]4CCC[N@@H+](C)C4)csc3C2)nc1 ZINC000426477243 529644580 /nfs/dbraw/zinc/64/45/80/529644580.db2.gz QAZSTKUGYBPIBJ-SFHVURJKSA-N 1 1 398.576 3.088 50 0 GGAAMO CCc1nc(N2CC[C@]3(C2)CCCN(CCc2ccccc2)C3=O)cc(C)[nH+]1 ZINC000426487517 529730577 /nfs/dbraw/zinc/73/05/77/529730577.db2.gz RLYLOUTZFCLDAY-QHCPKHFHSA-N 1 1 378.520 3.409 50 0 GGAAMO CCc1nccn1CCCNC(=O)N1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000426667441 529759699 /nfs/dbraw/zinc/75/96/99/529759699.db2.gz KKJWKBHHGOEZJX-UHFFFAOYSA-N 1 1 383.540 3.142 50 0 GGAAMO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NCc1nc2cc(F)ccc2[nH]1 ZINC000426574923 529970469 /nfs/dbraw/zinc/97/04/69/529970469.db2.gz MNDDNCWDXSCGFI-QGZVFWFLSA-N 1 1 395.482 3.366 50 0 GGAAMO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NCc1nc2ccc(F)cc2[nH]1 ZINC000426574923 529970470 /nfs/dbraw/zinc/97/04/70/529970470.db2.gz MNDDNCWDXSCGFI-QGZVFWFLSA-N 1 1 395.482 3.366 50 0 GGAAMO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NCc1nc2ccc(F)cc2[nH]1 ZINC000426574923 529970472 /nfs/dbraw/zinc/97/04/72/529970472.db2.gz MNDDNCWDXSCGFI-QGZVFWFLSA-N 1 1 395.482 3.366 50 0 GGAAMO CN(Cc1ccc2c(c1)OCO2)C(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000194412603 529991614 /nfs/dbraw/zinc/99/16/14/529991614.db2.gz BKOJETZNPDVRJA-IBGZPJMESA-N 1 1 381.476 3.079 50 0 GGAAMO CN(Cc1noc(C2CC2)n1)C(=O)NCC[C@H]1CCCC[N@H+]1C1CCCC1 ZINC000426578859 530031946 /nfs/dbraw/zinc/03/19/46/530031946.db2.gz RYZCRFGCWLPENB-QGZVFWFLSA-N 1 1 375.517 3.276 50 0 GGAAMO Cc1ccc(NC(=O)C[NH+]2CCC(C(=O)NCCc3ccccc3)CC2)cc1 ZINC000009069079 203839432 /nfs/dbraw/zinc/83/94/32/203839432.db2.gz VPSNAVQVQWDSSN-UHFFFAOYSA-N 1 1 379.504 3.004 50 0 GGAAMO CN(C)c1ccc(N2C(=O)C[C@@H](Nc3ccc([NH+]4CCCCC4)cc3)C2=O)cc1 ZINC000004317802 204037765 /nfs/dbraw/zinc/03/77/65/204037765.db2.gz OUHQCPLRJSUMAM-OAQYLSRUSA-N 1 1 392.503 3.487 50 0 GGAAMO O=C(C[C@@H]1[NH2+][C@H]2CCCC[C@@H]2NC1=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000003645047 204016947 /nfs/dbraw/zinc/01/69/47/204016947.db2.gz MZIKDLUMHDHRPV-UFYCRDLUSA-N 1 1 379.460 3.207 50 0 GGAAMO COc1cc(OC)c(OC)cc1C[N@H+]1CCC[C@H](C(=O)N2CCCCCC2)C1 ZINC000004177173 204031308 /nfs/dbraw/zinc/03/13/08/204031308.db2.gz BXGOTBABQFFIJD-KRWDZBQOSA-N 1 1 390.524 3.327 50 0 GGAAMO Cc1cc(C)cc(NC(=O)COc2ccc(C(=S)N3CC[NH+](C)CC3)cc2)c1 ZINC000004700445 204065431 /nfs/dbraw/zinc/06/54/31/204065431.db2.gz LRDMYAHBULNPFH-UHFFFAOYSA-N 1 1 397.544 3.244 50 0 GGAAMO O=C1C[C@@H]([NH+]2CCC(c3ccncc3)CC2)C(=O)N1c1ccc(F)c(Cl)c1 ZINC000004707978 204066739 /nfs/dbraw/zinc/06/67/39/204066739.db2.gz HQRBWMQRKQUBPI-GOSISDBHSA-N 1 1 387.842 3.386 50 0 GGAAMO CCOC(=O)[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccc(Br)c(C)c2)C1 ZINC000004725062 204069738 /nfs/dbraw/zinc/06/97/38/204069738.db2.gz OPXBVBURIYYMJK-CQSZACIVSA-N 1 1 397.313 3.361 50 0 GGAAMO CC(C)[C@H](NC(=O)C1CCC(C)CC1)C(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000004778484 204076249 /nfs/dbraw/zinc/07/62/49/204076249.db2.gz PYQYWVVSOIKLHN-NYXFWSSLSA-N 1 1 393.616 3.438 50 0 GGAAMO CCOC(=O)c1[nH]c2ccc(OC)cc2c1NC(=O)[C@@H](C)[N@H+]1CCC[C@H](C)C1 ZINC000004837362 204080300 /nfs/dbraw/zinc/08/03/00/204080300.db2.gz UVLGBEOLPJWMGW-UONOGXRCSA-N 1 1 387.480 3.412 50 0 GGAAMO C[N@@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(Br)cc2)N3)C1 ZINC000004539056 204050950 /nfs/dbraw/zinc/05/09/50/204050950.db2.gz BHHAODBNIOCWMQ-CQSZACIVSA-N 1 1 378.295 3.353 50 0 GGAAMO C[N@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(Br)cc2)N3)C1 ZINC000004539056 204050955 /nfs/dbraw/zinc/05/09/55/204050955.db2.gz BHHAODBNIOCWMQ-CQSZACIVSA-N 1 1 378.295 3.353 50 0 GGAAMO O=C1C[C@@H]([NH+]2CCC(c3nc4ccccc4[nH]3)CC2)C(=O)N1c1ccccc1F ZINC000004624932 204058346 /nfs/dbraw/zinc/05/83/46/204058346.db2.gz NUNBWEGFWHOIAK-LJQANCHMSA-N 1 1 392.434 3.214 50 0 GGAAMO COc1cc(C[NH+]2C[C@@H](C)C[C@H](C)C2)cc(I)c1O ZINC000004988610 204100199 /nfs/dbraw/zinc/10/01/99/204100199.db2.gz URBSGCAVGSCUOX-QWRGUYRKSA-N 1 1 375.250 3.483 50 0 GGAAMO COc1cc2c(cc1OC)[C@@H](C)[N@H+](Cc1cc(=O)n3cc(C)ccc3n1)CC2 ZINC000005354333 204128879 /nfs/dbraw/zinc/12/88/79/204128879.db2.gz ZTTOEHUPTRRIRY-OAHLLOKOSA-N 1 1 379.460 3.139 50 0 GGAAMO COc1cc2c(cc1OC)[C@@H](C)[N@@H+](Cc1cc(=O)n3cc(C)ccc3n1)CC2 ZINC000005354333 204128884 /nfs/dbraw/zinc/12/88/84/204128884.db2.gz ZTTOEHUPTRRIRY-OAHLLOKOSA-N 1 1 379.460 3.139 50 0 GGAAMO COc1cc2c(cc1OC)[C@@H](C)[N@H+](Cc1cc(=O)n3cccc(C)c3n1)CC2 ZINC000005425434 204131785 /nfs/dbraw/zinc/13/17/85/204131785.db2.gz UYXNGNGMAHHJPO-OAHLLOKOSA-N 1 1 379.460 3.139 50 0 biogenic GGAAMO COc1cc2c(cc1OC)[C@@H](C)[N@@H+](Cc1cc(=O)n3cccc(C)c3n1)CC2 ZINC000005425434 204131787 /nfs/dbraw/zinc/13/17/87/204131787.db2.gz UYXNGNGMAHHJPO-OAHLLOKOSA-N 1 1 379.460 3.139 50 0 biogenic GGAAMO Cc1ccc(NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H]2Cc3ccccc3C[NH2+]2)cc1 ZINC000035349326 204171224 /nfs/dbraw/zinc/17/12/24/204171224.db2.gz UKZGYKPFEONJRA-LEWJYISDSA-N 1 1 379.504 3.179 50 0 GGAAMO O=C(C[C@@H]1[NH2+][C@H]2CCCC[C@@H]2NC1=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000006697227 204192348 /nfs/dbraw/zinc/19/23/48/204192348.db2.gz YGGKPFOFVPQMIO-IHRRRGAJSA-N 1 1 389.805 3.087 50 0 GGAAMO CC[C@@H](C)[C@H](NC(=O)[C@@H]1Cc2ccccc2C[NH2+]1)C(=O)N[C@@H](C)c1ccccc1 ZINC000035485122 204231672 /nfs/dbraw/zinc/23/16/72/204231672.db2.gz OILOJSRFFAWWFA-CTOYSFNJSA-N 1 1 393.531 3.109 50 0 biogenic GGAAMO CCc1cccc(NC(=O)NCCNc2cc(-n3ccnc3C)nc(C)[nH+]2)c1 ZINC000035598139 204274738 /nfs/dbraw/zinc/27/47/38/204274738.db2.gz LDXYATQZOFYYHQ-UHFFFAOYSA-N 1 1 379.468 3.075 50 0 GGAAMO COc1ccc(CC(=O)NCCCC[N@@H+]2CCO[C@@H](c3ccccc3)C2)cc1 ZINC000036700036 204324850 /nfs/dbraw/zinc/32/48/50/204324850.db2.gz VAQKIFDAXPTOLB-JOCHJYFZSA-N 1 1 382.504 3.208 50 0 GGAAMO COc1ccc(CC(=O)NCCCC[N@H+]2CCO[C@@H](c3ccccc3)C2)cc1 ZINC000036700036 204324853 /nfs/dbraw/zinc/32/48/53/204324853.db2.gz VAQKIFDAXPTOLB-JOCHJYFZSA-N 1 1 382.504 3.208 50 0 GGAAMO COc1ccc(Nc2cc(C)[nH+]c(NCCNC(=O)c3cccs3)n2)cc1 ZINC000036708121 204324866 /nfs/dbraw/zinc/32/48/66/204324866.db2.gz VRTAGQFFIVAUNW-UHFFFAOYSA-N 1 1 383.477 3.441 50 0 GGAAMO Cc1ccc(NC(=O)C[NH+]2CCC(C(=O)NCCc3cccs3)CC2)c(C)c1 ZINC000036709255 204326499 /nfs/dbraw/zinc/32/64/99/204326499.db2.gz YYTIJHISMJJNGX-UHFFFAOYSA-N 1 1 399.560 3.374 50 0 GGAAMO C[C@@H]1C[C@H](C)C[N@H+](CCCNS(=O)(=O)c2ccc(Br)cc2)C1 ZINC000010544032 204335630 /nfs/dbraw/zinc/33/56/30/204335630.db2.gz RHXPYLXXCXAYRG-OKILXGFUSA-N 1 1 389.359 3.095 50 0 GGAAMO COc1ccc(CNC(=O)CC[C@H]2CCC[N@@H+](Cc3cccnc3)C2)c(OC)c1 ZINC000011667873 204349440 /nfs/dbraw/zinc/34/94/40/204349440.db2.gz BZVRUCFAYXHIIZ-GOSISDBHSA-N 1 1 397.519 3.407 50 0 GGAAMO O=C1CCCN1CC[C@@H]1CCCC[N@H+]1Cc1nc(Cc2cccc(F)c2)no1 ZINC000011716978 204350546 /nfs/dbraw/zinc/35/05/46/204350546.db2.gz XMXOSCRUTNWRAN-SFHVURJKSA-N 1 1 386.471 3.167 50 0 GGAAMO O=C1CCCN1CC[C@@H]1CCCC[N@@H+]1Cc1nc(Cc2cccc(F)c2)no1 ZINC000011716978 204350549 /nfs/dbraw/zinc/35/05/49/204350549.db2.gz XMXOSCRUTNWRAN-SFHVURJKSA-N 1 1 386.471 3.167 50 0 GGAAMO CCOC(=O)C1(Cc2ccc(Cl)cc2)CC[NH+](Cc2cnc(N)nc2)CC1 ZINC000011713035 204350919 /nfs/dbraw/zinc/35/09/19/204350919.db2.gz UAJWXQWCKCFQTG-UHFFFAOYSA-N 1 1 388.899 3.100 50 0 GGAAMO CCN(CC)C(=O)c1cn([C@@H]2CCC[N@@H+](Cc3cc4ccccc4[nH]3)C2)nn1 ZINC000011788940 204352669 /nfs/dbraw/zinc/35/26/69/204352669.db2.gz XONDRKGMHCLBCI-GOSISDBHSA-N 1 1 380.496 3.079 50 0 GGAAMO O=C1CC[N@H+](Cc2c[nH]nc2-c2ccccc2)CCN1Cc1ccccc1F ZINC000011784504 204352942 /nfs/dbraw/zinc/35/29/42/204352942.db2.gz VDQOTFYOLSEBDO-UHFFFAOYSA-N 1 1 378.451 3.450 50 0 GGAAMO CCOC(=O)[C@]1(CCOc2ccccc2)CCC[N@@H+](CCCn2cccn2)C1 ZINC000011817641 204353663 /nfs/dbraw/zinc/35/36/63/204353663.db2.gz ZZYTYYIZEBJLLW-QFIPXVFZSA-N 1 1 385.508 3.388 50 0 GGAAMO O=C(c1cn(C/C=C/c2ccccc2)nn1)N1CCC[N@H+](C2CCCCC2)CC1 ZINC000011816162 204353954 /nfs/dbraw/zinc/35/39/54/204353954.db2.gz VUKWBYZWUBFIBT-YRNVUSSQSA-N 1 1 393.535 3.472 50 0 GGAAMO COc1cccc(C(=O)NC[C@@H]2CCC[N@H+](C3CCSCC3)C2)c1OC ZINC000011814288 204354230 /nfs/dbraw/zinc/35/42/30/204354230.db2.gz VVNLVUPNGXDNRR-HNNXBMFYSA-N 1 1 378.538 3.041 50 0 GGAAMO Cc1ccc(C(=O)N2CC[C@]3(C2)CCC[N@@H+](Cc2ccc(F)cc2)C3)c(=O)[nH]1 ZINC000011818261 204354370 /nfs/dbraw/zinc/35/43/70/204354370.db2.gz XTMMWWFUPKAWFF-JOCHJYFZSA-N 1 1 383.467 3.363 50 0 GGAAMO COc1ccccc1CN1C[C@@H]2C[C@@H](c3cc(C(C)C)n[nH]3)[N@@H+]3CCC[C@@]23C1=O ZINC000011819950 204355505 /nfs/dbraw/zinc/35/55/05/204355505.db2.gz NBMNGTKZFMTSIN-NYDSKATKSA-N 1 1 394.519 3.480 50 0 GGAAMO COc1ccccc1CN1C[C@@H]2C[C@@H](c3cc(C(C)C)n[nH]3)[N@H+]3CCC[C@@]23C1=O ZINC000011819950 204355508 /nfs/dbraw/zinc/35/55/08/204355508.db2.gz NBMNGTKZFMTSIN-NYDSKATKSA-N 1 1 394.519 3.480 50 0 GGAAMO Cc1ccccc1C[NH2+]Cc1ccccc1OC[C@@H](O)CN1CCSCC1 ZINC000011839656 204355624 /nfs/dbraw/zinc/35/56/24/204355624.db2.gz TUAOBCRSJLHLDA-NRFANRHFSA-N 1 1 386.561 3.073 50 0 GGAAMO CCN(C[C@@H]1CCC[N@@H+](CCc2cccc(OC)c2)C1)C(=O)Cc1cccnc1 ZINC000011820825 204356023 /nfs/dbraw/zinc/35/60/23/204356023.db2.gz ODRXSVQOXDEEIN-JOCHJYFZSA-N 1 1 395.547 3.436 50 0 GGAAMO O=C(c1cn(CC2CCCCC2)nn1)N1CCC[N@@H+](Cc2cccc(F)c2)CC1 ZINC000011840341 204356241 /nfs/dbraw/zinc/35/62/41/204356241.db2.gz ZWASQXOXTFSVOF-UHFFFAOYSA-N 1 1 399.514 3.346 50 0 GGAAMO O=C(c1cn(CC2CCCCC2)nn1)N1CCC[N@H+](Cc2cccc(F)c2)CC1 ZINC000011840341 204356245 /nfs/dbraw/zinc/35/62/45/204356245.db2.gz ZWASQXOXTFSVOF-UHFFFAOYSA-N 1 1 399.514 3.346 50 0 GGAAMO Cc1c([C@@H]2C[C@H]3CN(Cc4cccc(Cl)c4)C(=O)[C@]34CCC[N@@H+]24)cnn1C ZINC000011844407 204357320 /nfs/dbraw/zinc/35/73/20/204357320.db2.gz BKJVLSMPIJFXSV-LRQRDZAKSA-N 1 1 384.911 3.320 50 0 GGAAMO O=C1N(CCc2ccccc2)C[C@@H]2C[C@@H](c3cccc4c3OCO4)[N@H+]3CCC[C@@]123 ZINC000011843573 204357469 /nfs/dbraw/zinc/35/74/69/204357469.db2.gz PBPHRLRYKNECGM-WXVUKLJWSA-N 1 1 390.483 3.396 50 0 GGAAMO CN(C[C@@H]1CCC[N@@H+](CCc2ccc(Cl)cc2)C1)C(=O)c1ccc(=O)[nH]c1 ZINC000011840661 204357931 /nfs/dbraw/zinc/35/79/31/204357931.db2.gz JVOKLVRBPSTAAT-KRWDZBQOSA-N 1 1 387.911 3.467 50 0 GGAAMO Cc1ocnc1C(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1ccc(F)c(F)c1)C2 ZINC000011878176 204358612 /nfs/dbraw/zinc/35/86/12/204358612.db2.gz BKTKHNNCSCQNLF-HXUWFJFHSA-N 1 1 375.419 3.390 50 0 GGAAMO Cc1ocnc1C(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccc(F)c(F)c1)C2 ZINC000011878176 204358618 /nfs/dbraw/zinc/35/86/18/204358618.db2.gz BKTKHNNCSCQNLF-HXUWFJFHSA-N 1 1 375.419 3.390 50 0 GGAAMO CN1CCC([N@@H+]2CCC[C@@H](NC(=O)C3(c4ccc(Cl)cc4)CC3)C2)CC1 ZINC000011878580 204359113 /nfs/dbraw/zinc/35/91/13/204359113.db2.gz YJIZJIIIWZEXDQ-GOSISDBHSA-N 1 1 375.944 3.046 50 0 GGAAMO CN1CCC([N@H+]2CCC[C@@H](NC(=O)C3(c4ccc(Cl)cc4)CC3)C2)CC1 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CCOC(=O)C1=C(C[NH+]2CCCCCC2)NC(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC000055226520 205144437 /nfs/dbraw/zinc/14/44/37/205144437.db2.gz HAGRHDHXBGGFJA-GOSISDBHSA-N 1 1 391.899 3.387 50 0 GGAAMO Cc1nn(C)c(N2CCOCC2)c1C[N@H+]1CCC[C@@H](COc2ccc(C)cc2)C1 ZINC000055228167 205144917 /nfs/dbraw/zinc/14/49/17/205144917.db2.gz VTUWTOOBXAFERQ-HXUWFJFHSA-N 1 1 398.551 3.165 50 0 GGAAMO CC(C)NC(=O)Cn1cc(C[N@@H+](Cc2cnn(C)c2)C2CC2)c2ccccc21 ZINC000055244845 205145375 /nfs/dbraw/zinc/14/53/75/205145375.db2.gz HTHBITDKZUFRPG-UHFFFAOYSA-N 1 1 379.508 3.064 50 0 GGAAMO CCOC(=O)C1=C(C[N@@H+]2CCCC[C@@H]2C)NC(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC000055220579 205145455 /nfs/dbraw/zinc/14/54/55/205145455.db2.gz ZGOMKRUTEYVKMA-SCLBCKFNSA-N 1 1 391.899 3.386 50 0 GGAAMO CCOC(=O)C1=C(C[N@H+]2CCCC[C@@H]2C)NC(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC000055220579 205145458 /nfs/dbraw/zinc/14/54/58/205145458.db2.gz ZGOMKRUTEYVKMA-SCLBCKFNSA-N 1 1 391.899 3.386 50 0 GGAAMO CCOC(=O)C1C(C[N@@H+]2CCCC[C@@H]2C)=NC(=O)N[C@@H]1c1ccc(Cl)cc1 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SFXLJIMQRKSLST-NRFANRHFSA-N 1 1 393.487 3.298 50 0 GGAAMO CC[N@@H+](Cc1ccccc1)CC1=NC(=O)N[C@@H](c2ccc(C)cc2)C1C(=O)OC ZINC000051318294 205131635 /nfs/dbraw/zinc/13/16/35/205131635.db2.gz SFXLJIMQRKSLST-NRFANRHFSA-N 1 1 393.487 3.298 50 0 GGAAMO Cn1cc(-c2cc(C(=O)N3CC[N@H+]4CCCC[C@H]4C3)c3ccc(F)cc3n2)cn1 ZINC000063870640 205187327 /nfs/dbraw/zinc/18/73/27/205187327.db2.gz HUVQZYZESRKZOL-KRWDZBQOSA-N 1 1 393.466 3.085 50 0 GGAAMO CCn1cc(-c2cc(C(=O)N3CCC[N@@H+](C)C[C@@H]3C)c3cc(F)ccc3n2)cn1 ZINC000063856703 205187792 /nfs/dbraw/zinc/18/77/92/205187792.db2.gz SZIYFPKAZLHISU-HNNXBMFYSA-N 1 1 395.482 3.424 50 0 GGAAMO Cc1ccc2c(C(=O)N(C)[C@@H]3CC[N@@H+](C)C3)cc(-c3cnn(C)c3)nc2c1C ZINC000063882736 205189293 /nfs/dbraw/zinc/18/92/93/205189293.db2.gz VUJXSXXLFMQGOA-QGZVFWFLSA-N 1 1 377.492 3.028 50 0 GGAAMO Cc1cc(C)c2nc(-c3cnn(C)c3)cc(C(=O)N3CC[N@H+]4CCC[C@H]4C3)c2c1 ZINC000063884731 205189367 /nfs/dbraw/zinc/18/93/67/205189367.db2.gz WODLWDCZDSWOCA-SFHVURJKSA-N 1 1 389.503 3.172 50 0 GGAAMO Cc1nccn1-c1cc(NCCNC(=O)Nc2cc(C)cc(C)c2)[nH+]c(C)n1 ZINC000065363274 205231942 /nfs/dbraw/zinc/23/19/42/205231942.db2.gz CXZHMJSGIBKIHD-UHFFFAOYSA-N 1 1 379.468 3.130 50 0 GGAAMO CCc1ccc2oc(=O)cc(CN3CC[NH+](Cc4ncccc4C)CC3)c2c1 ZINC000065383222 205232117 /nfs/dbraw/zinc/23/21/17/205232117.db2.gz DMURHKNCRLAFIA-UHFFFAOYSA-N 1 1 377.488 3.377 50 0 GGAAMO COc1ccc(-c2cc([C@@H]3CC[N@@H+](Cc4cnc(N)nc4)C3)ccn2)cc1C ZINC000065410923 205234366 /nfs/dbraw/zinc/23/43/66/205234366.db2.gz CJBSQFONQZLILU-LJQANCHMSA-N 1 1 375.476 3.427 50 0 GGAAMO CCC[N@H+]1CCc2nc(SCC(=O)Nc3ccccc3Cl)[nH]c(=O)c2C1 ZINC000067291701 205243559 /nfs/dbraw/zinc/24/35/59/205243559.db2.gz VJYHYFTWVMEOEB-UHFFFAOYSA-N 1 1 392.912 3.335 50 0 GGAAMO CCC[N@H+]1CCc2nc(SCC(=O)Nc3ccc(Cl)cc3)[nH]c(=O)c2C1 ZINC000067291801 205243614 /nfs/dbraw/zinc/24/36/14/205243614.db2.gz UZUHIQGMAZWAEO-UHFFFAOYSA-N 1 1 392.912 3.335 50 0 GGAAMO CCOC(=O)C1=C(C[NH+]2CCCCCC2)NC(=O)N[C@@H]1c1ccc(F)c(F)c1 ZINC000067285973 205244362 /nfs/dbraw/zinc/24/43/62/205244362.db2.gz AADWUNQVSABABU-GOSISDBHSA-N 1 1 393.434 3.012 50 0 GGAAMO CN1CCN(c2ccc(NC(=O)c3ccc(C[NH+]4CCCC4)cc3)cc2)CC1 ZINC000067614183 205251106 /nfs/dbraw/zinc/25/11/06/205251106.db2.gz ABGIGPGFKSEPBV-UHFFFAOYSA-N 1 1 378.520 3.287 50 0 GGAAMO Cc1ccc(C)c(C(=O)N2CCN(c3cc(N4CCCCC4)nc(C)[nH+]3)CC2)c1 ZINC000067604656 205251535 /nfs/dbraw/zinc/25/15/35/205251535.db2.gz VIADRDHERSVVEP-UHFFFAOYSA-N 1 1 393.535 3.355 50 0 GGAAMO O=C(c1coc(COc2ccc3ncccc3c2)n1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000067674202 205253565 /nfs/dbraw/zinc/25/35/65/205253565.db2.gz NUOHKVPJMHZRTB-KRWDZBQOSA-N 1 1 392.459 3.112 50 0 GGAAMO O=C(c1coc(COc2ccc3ncccc3c2)n1)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000067674202 205253569 /nfs/dbraw/zinc/25/35/69/205253569.db2.gz NUOHKVPJMHZRTB-KRWDZBQOSA-N 1 1 392.459 3.112 50 0 GGAAMO O=C(NCc1ccccc1)[C@@H]1CCC[N@H+](C2CCN(Cc3ccccn3)CC2)C1 ZINC000067673809 205253609 /nfs/dbraw/zinc/25/36/09/205253609.db2.gz BZPYLAJBHIFOAT-OAQYLSRUSA-N 1 1 392.547 3.074 50 0 GGAAMO C[N@H+]1CCCNC(=O)C12CCN(Cc1cccc(Oc3ccccc3)c1)CC2 ZINC000067675230 205254115 /nfs/dbraw/zinc/25/41/15/205254115.db2.gz ZKQQSIACBYXJKS-UHFFFAOYSA-N 1 1 379.504 3.265 50 0 GGAAMO CN1CCCNC(=O)C12CC[NH+](Cc1cccc(Oc3ccccc3)c1)CC2 ZINC000067675230 205254118 /nfs/dbraw/zinc/25/41/18/205254118.db2.gz ZKQQSIACBYXJKS-UHFFFAOYSA-N 1 1 379.504 3.265 50 0 GGAAMO CNC(=O)c1ccc([C@H]2CCC[N@H+]2Cc2cc3cc(OC)ccc3[nH]c2=O)s1 ZINC000067676855 205255041 /nfs/dbraw/zinc/25/50/41/205255041.db2.gz WMFXOQQADVYUKV-QGZVFWFLSA-N 1 1 397.500 3.295 50 0 GGAAMO CCC[N@H+]1CCCN(C(=O)c2coc(COc3cccc4cnccc43)n2)CC1 ZINC000067694816 205256665 /nfs/dbraw/zinc/25/66/65/205256665.db2.gz KTFXOLHYEIOMJP-UHFFFAOYSA-N 1 1 394.475 3.360 50 0 GGAAMO COCCC(=O)N1CCC2(CC1)CCC[N@@H+](Cc1sc(C)nc1C)CC2 ZINC000067714432 205256804 /nfs/dbraw/zinc/25/68/04/205256804.db2.gz DPORBFNWNYPSAL-UHFFFAOYSA-N 1 1 379.570 3.391 50 0 GGAAMO COc1cc(OC)cc(C(=O)N2CCC[C@@]3(CC[N@@H+](Cc4cccnc4)C3)C2)c1 ZINC000067757792 205258770 /nfs/dbraw/zinc/25/87/70/205258770.db2.gz XNSQEZYGBRPNOH-QHCPKHFHSA-N 1 1 395.503 3.227 50 0 GGAAMO CCn1cc(C(=O)N2CCC3(CC2)CCC[N@@H+](C)CC3)c(=O)c2ccc(C)nc21 ZINC000067755488 205258932 /nfs/dbraw/zinc/25/89/32/205258932.db2.gz JOIVVMBGUDGLOO-UHFFFAOYSA-N 1 1 396.535 3.063 50 0 GGAAMO [NH3+][C@H]1CCC[C@@H](C(=O)NCc2nc(-c3cccc(F)c3)c(-c3ccccn3)[nH]2)C1 ZINC000067742892 205259402 /nfs/dbraw/zinc/25/94/02/205259402.db2.gz TXGWFXVEROQZNC-WBVHZDCISA-N 1 1 393.466 3.412 50 0 GGAAMO O=C(NC1CC1)[C@H]1CCC[N@H+](C2CCN(Cc3ccnc4ccccc34)CC2)C1 ZINC000067805631 205260729 /nfs/dbraw/zinc/26/07/29/205260729.db2.gz IHPWKGNBBYEUBI-IBGZPJMESA-N 1 1 392.547 3.190 50 0 GGAAMO CC[C@@H](c1nc2ccc(C)cc2[nH]1)n1cnc2sc3c(c2c1=O)CC[NH2+]C3 ZINC000067787967 205260746 /nfs/dbraw/zinc/26/07/46/205260746.db2.gz GJVBJJBHOZWBRI-HNNXBMFYSA-N 1 1 379.489 3.288 50 0 GGAAMO O=C([C@H]1Cc2ccccc2C[NH2+]1)N1CCC(c2[nH]ncc2-c2ccccc2)CC1 ZINC000067868843 205265122 /nfs/dbraw/zinc/26/51/22/205265122.db2.gz 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376.545 3.038 50 0 GGAAMO O[C@@H](c1cccnc1)c1ccc2c(c1)C[N@@H+](Cc1ccc3c(c1)CCO3)CCO2 ZINC000299760339 206185606 /nfs/dbraw/zinc/18/56/06/206185606.db2.gz FPMXKAHYMRDSAQ-XMMPIXPASA-N 1 1 388.467 3.493 50 0 GGAAMO O[C@@H](c1cccnc1)c1ccc2c(c1)C[N@H+](Cc1ccc3c(c1)CCO3)CCO2 ZINC000299760339 206185611 /nfs/dbraw/zinc/18/56/11/206185611.db2.gz FPMXKAHYMRDSAQ-XMMPIXPASA-N 1 1 388.467 3.493 50 0 GGAAMO COc1cccc(-c2cccc(C(=O)NC3CC[NH+](CCN(C)C)CC3)c2)c1 ZINC000299760637 206186200 /nfs/dbraw/zinc/18/62/00/206186200.db2.gz VZXHDRFXDIBICA-UHFFFAOYSA-N 1 1 381.520 3.118 50 0 GGAAMO CCOc1ccc2nc(N3CCC([N@@H+](C)Cc4cc[nH]n4)CC3)nc(C)c2c1 ZINC000299763631 206186503 /nfs/dbraw/zinc/18/65/03/206186503.db2.gz PSGXFEGRKYAVEZ-UHFFFAOYSA-N 1 1 380.496 3.161 50 0 GGAAMO Cc1ccc[nH+]c1N1CCN(C(=O)Nc2ccnn2Cc2cccs2)CC1 ZINC000299759988 206186591 /nfs/dbraw/zinc/18/65/91/206186591.db2.gz SHNGYNJBSRUNDF-UHFFFAOYSA-N 1 1 382.493 3.050 50 0 GGAAMO O=C1CCCN1CCCc1nc([C@H]2C[C@@H](c3ccccc3)[N@H+]3CCC[C@H]23)no1 ZINC000299773607 206187701 /nfs/dbraw/zinc/18/77/01/206187701.db2.gz GIQJWWPVKQSWSX-OTWHNJEPSA-N 1 1 380.492 3.318 50 0 GGAAMO CC[N@H+]1[C@@H](c2ccc(Cl)cc2)[C@@H](CNC(=O)c2ccc[nH]2)C[C@@]1(C)CO ZINC000299776512 206188707 /nfs/dbraw/zinc/18/87/07/206188707.db2.gz CHPPAVQSJFSEAE-BPAFIMBUSA-N 1 1 375.900 3.232 50 0 GGAAMO Cc1cc(C(=O)N(Cc2cccc(OCC[C@@H]3CCC[N@H+]3C)c2)C2CC2)n(C)n1 ZINC000299769970 206188897 /nfs/dbraw/zinc/18/88/97/206188897.db2.gz YNAFUDWUGKARSI-IBGZPJMESA-N 1 1 396.535 3.396 50 0 GGAAMO COc1cccc(-c2cccc(C(=O)NCC3(C[NH+]4CCOCC4)CC3)c2)c1 ZINC000299780556 206190124 /nfs/dbraw/zinc/19/01/24/206190124.db2.gz ATKXOYNGGVQLJG-UHFFFAOYSA-N 1 1 380.488 3.204 50 0 GGAAMO O[C@@H]1C[N@@H+](Cc2ccc(-c3ccccc3Cl)o2)CC[C@H]1Nc1ncccn1 ZINC000299786780 206190472 /nfs/dbraw/zinc/19/04/72/206190472.db2.gz NFQILASEMBJARM-QZTJIDSGSA-N 1 1 384.867 3.437 50 0 GGAAMO O=C(NC1CC1)c1cn(CC[C@H]2CCCC[N@H+]2Cc2cc3ccccc3[nH]2)nn1 ZINC000299792339 206191616 /nfs/dbraw/zinc/19/16/16/206191616.db2.gz GWNZGOFFQAVBLN-LJQANCHMSA-N 1 1 392.507 3.096 50 0 GGAAMO O=C1C[C@@H](C[N@@H+]2CCCN(Cc3ccccc3F)CC2)CN1c1ccccc1 ZINC000299793112 206191634 /nfs/dbraw/zinc/19/16/34/206191634.db2.gz JZSHBJIWRUXDEP-IBGZPJMESA-N 1 1 381.495 3.387 50 0 GGAAMO O=C([C@H]1C[C@@H](c2ccccc2)[N@H+]2CCC[C@H]12)N(CCCO)Cc1cccnc1 ZINC000299790980 206192178 /nfs/dbraw/zinc/19/21/78/206192178.db2.gz CXJBVCBDMJRKAC-BDTNDASRSA-N 1 1 379.504 3.018 50 0 GGAAMO CC(C)C[N@H+]1CCCN(c2nccc(-c3cnn(-c4ccccc4)c3)n2)CC1 ZINC000048115541 206208116 /nfs/dbraw/zinc/20/81/16/206208116.db2.gz FFXFRTJQXVMNNC-UHFFFAOYSA-N 1 1 376.508 3.497 50 0 GGAAMO CN(CC1CC[NH+](CCc2ccccc2F)CC1)C(=O)[C@H]1CCCCN1C ZINC000011814841 221127724 /nfs/dbraw/zinc/12/77/24/221127724.db2.gz IWTBCWRYMGONNF-OAQYLSRUSA-N 1 1 375.532 3.023 50 0 GGAAMO CN(CC1CC[NH+](CCc2ccccc2F)CC1)C(=O)[C@@H]1CCCCN1C ZINC000011814842 221128377 /nfs/dbraw/zinc/12/83/77/221128377.db2.gz IWTBCWRYMGONNF-NRFANRHFSA-N 1 1 375.532 3.023 50 0 GGAAMO COc1ccc(CC[N@H+]2CCC[C@H](CN(C)C(=O)c3cccnc3OC)C2)cc1 ZINC000012072796 221146402 /nfs/dbraw/zinc/14/64/02/221146402.db2.gz NRBOLQRBYIKBPC-LJQANCHMSA-N 1 1 397.519 3.126 50 0 GGAAMO CN(Cc1cccc(OC[C@H](O)C[N@@H+](C)C2CCCCC2)c1)Cc1cnccn1 ZINC000012072496 221147275 /nfs/dbraw/zinc/14/72/75/221147275.db2.gz RCSPGTRTDZEDIG-JOCHJYFZSA-N 1 1 398.551 3.113 50 0 GGAAMO O=C(CCN1CCCCCC1=O)N[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2)C1 ZINC000012074821 221148367 /nfs/dbraw/zinc/14/83/67/221148367.db2.gz ILJLMYLRROUUFG-LJQANCHMSA-N 1 1 391.943 3.213 50 0 GGAAMO O=C(CCN1CCCCCC1=O)N[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1 ZINC000012074821 221148370 /nfs/dbraw/zinc/14/83/70/221148370.db2.gz ILJLMYLRROUUFG-LJQANCHMSA-N 1 1 391.943 3.213 50 0 GGAAMO O=C(c1cc2nccc(-c3ccc4ccccc4c3)n2n1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000013644356 221278353 /nfs/dbraw/zinc/27/83/53/221278353.db2.gz ZNNBPFITFINRKC-FQEVSTJZSA-N 1 1 397.482 3.470 50 0 GGAAMO CO[C@@H]1CC[C@@]2(OC)CC[N@@H+](Cc3c(Cl)n(C)nc3-c3cc(C)on3)[C@H]2C1 ZINC000426389543 533432628 /nfs/dbraw/zinc/43/26/28/533432628.db2.gz YTWLLRUIYLQMTA-ACWOFJMJSA-N 1 1 394.903 3.195 50 0 GGAAMO COc1ccc(CN(C)C(=O)NCC[N@H+]2CC[C@@H](c3ccccc3)C2)cc1O ZINC000426506846 533526975 /nfs/dbraw/zinc/52/69/75/533526975.db2.gz RCBQHTXAHQDRFH-LJQANCHMSA-N 1 1 383.492 3.032 50 0 GGAAMO Cc1[nH]nc(-c2ccc(F)cc2)c1CC(=O)NC[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000409413137 533653512 /nfs/dbraw/zinc/65/35/12/533653512.db2.gz ABVXSWSZNVSTLG-YLJYHZDGSA-N 1 1 384.499 3.447 50 0 GGAAMO C[C@@H](C(=O)N1CCc2[nH]c3ccccc3c2C1)[NH+]1CCN(c2ccccc2)CC1 ZINC000061880690 136156029 /nfs/dbraw/zinc/15/60/29/136156029.db2.gz GCMVIKRZUOMILV-SFHVURJKSA-N 1 1 388.515 3.263 50 0 GGAAMO Cc1nc(C(=O)N2CCC[C@@H]([NH+]3CCN(c4ccc(F)cc4)CC3)C2)cs1 ZINC000061927180 136156034 /nfs/dbraw/zinc/15/60/34/136156034.db2.gz FNILZUBDUQJFOH-GOSISDBHSA-N 1 1 388.512 3.017 50 0 GGAAMO Cc1sc2nc(N3CC[NH+](Cc4ccc(F)cc4)CC3)n3ncnc3c2c1C ZINC000061966149 136156158 /nfs/dbraw/zinc/15/61/58/136156158.db2.gz QGSSRCQZBATLMI-UHFFFAOYSA-N 1 1 396.495 3.417 50 0 GGAAMO COc1ccc([C@H](O)C[NH+]2CCN(c3cccc(Cl)c3)CC2)cc1OC ZINC000065255234 136161675 /nfs/dbraw/zinc/16/16/75/136161675.db2.gz RWHDPWHPPMIWFV-GOSISDBHSA-N 1 1 376.884 3.213 50 0 GGAAMO O[C@@H]1CCCN(c2cc[nH+]c(NCc3cccnc3N3CCCCCCC3)n2)C1 ZINC000067774276 136165022 /nfs/dbraw/zinc/16/50/22/136165022.db2.gz LPRWFDBNYPJUAJ-LJQANCHMSA-N 1 1 396.539 3.215 50 0 GGAAMO O=C([C@@H]1CCC[N@H+](C2CCN(c3ccc(Cl)cn3)CC2)C1)N1CCCC1 ZINC000071774813 136166753 /nfs/dbraw/zinc/16/67/53/136166753.db2.gz UMSALFXCIDXJMP-MRXNPFEDSA-N 1 1 376.932 3.038 50 0 GGAAMO O=C1CC[C@H]2CN(c3[nH+]cnc4[nH]ccc43)CC[C@H]2N1CCc1cccs1 ZINC000072457654 136171111 /nfs/dbraw/zinc/17/11/11/136171111.db2.gz YBCXPKCUTOJZRY-WMLDXEAASA-N 1 1 381.505 3.079 50 0 GGAAMO O=C(CCCc1ccccc1)N1CCN(c2cc[nH+]c(N3CCCCC3)n2)CC1 ZINC000077135986 136171755 /nfs/dbraw/zinc/17/17/55/136171755.db2.gz AFXLDZFURIAHSD-UHFFFAOYSA-N 1 1 393.535 3.138 50 0 GGAAMO CCCCN1C(=O)CC[C@H]2C[N@H+](Cc3cccc(N4CCOCC4)c3)CC[C@H]21 ZINC000077406355 136172138 /nfs/dbraw/zinc/17/21/38/136172138.db2.gz FHPXUNRTSAYSAZ-RBBKRZOGSA-N 1 1 385.552 3.136 50 0 GGAAMO C[N@H+]1CCCC[C@H]1C(=O)N1CCN(c2ccccc2-c2ccccc2)C(=O)C1 ZINC000082100147 136173613 /nfs/dbraw/zinc/17/36/13/136173613.db2.gz MTJCGMXIHINQLA-NRFANRHFSA-N 1 1 377.488 3.013 50 0 GGAAMO Cc1cccnc1N1CCN(C(=O)[C@@H]2CCCC[N@H+]2Cc2ccccc2)CC1 ZINC000082157814 136174204 /nfs/dbraw/zinc/17/42/04/136174204.db2.gz HEJCZVRYEBBOBF-NRFANRHFSA-N 1 1 378.520 3.093 50 0 GGAAMO Cc1cccnc1N1CCN(C(=O)[C@H]2CCCC[N@H+]2Cc2ccccc2)CC1 ZINC000082157815 136174294 /nfs/dbraw/zinc/17/42/94/136174294.db2.gz HEJCZVRYEBBOBF-OAQYLSRUSA-N 1 1 378.520 3.093 50 0 GGAAMO Cc1cccc(NC(=O)N2CCN(c3cc[nH+]c(N4CCCCC4)n3)CC2)c1C ZINC000082230335 136174627 /nfs/dbraw/zinc/17/46/27/136174627.db2.gz QEFDCKKWOMFNBW-UHFFFAOYSA-N 1 1 394.523 3.438 50 0 GGAAMO O=C(c1ccc(Cl)cc1)N1CCN(c2cc[nH+]c(N3CCCCC3)n2)CC1 ZINC000082230670 136174664 /nfs/dbraw/zinc/17/46/64/136174664.db2.gz JPVBGYQEXOEZBM-UHFFFAOYSA-N 1 1 385.899 3.083 50 0 GGAAMO CC(C)Nc1cc[nH+]c(N2CCC[C@H](c3nccn3Cc3cccnc3)C2)n1 ZINC000091486182 136176459 /nfs/dbraw/zinc/17/64/59/136176459.db2.gz OUWSWIHMPJYPAM-SFHVURJKSA-N 1 1 377.496 3.321 50 0 GGAAMO CCCc1nc(N2CCC3(CCC(=O)N(C[C@H]4CCCO4)C3)CC2)cc(C)[nH+]1 ZINC000092046336 136177598 /nfs/dbraw/zinc/17/75/98/136177598.db2.gz ZXGQKRYCWXCQHM-GOSISDBHSA-N 1 1 386.540 3.126 50 0 GGAAMO CCCc1cc(N2CCC([N@@H+](C)Cc3[nH]nc4c3CCCC4)CC2)nc(C)n1 ZINC000095498840 136179790 /nfs/dbraw/zinc/17/97/90/136179790.db2.gz BFZVDEYFWNMUQA-UHFFFAOYSA-N 1 1 382.556 3.440 50 0 GGAAMO Cc1cc(N2CCC([NH2+]C[C@@H]3CCCCO3)CC2)nc(-c2ccccc2O)n1 ZINC000095511170 136180665 /nfs/dbraw/zinc/18/06/65/136180665.db2.gz TVPKMGDLBMRFAI-SFHVURJKSA-N 1 1 382.508 3.285 50 0 GGAAMO O=C(CCC1CCN(c2[nH+]cnc3[nH]ccc32)CC1)NCc1ccc(F)cc1 ZINC000095510439 136180801 /nfs/dbraw/zinc/18/08/01/136180801.db2.gz FSRRKIOYCZXHEW-UHFFFAOYSA-N 1 1 381.455 3.410 50 0 GGAAMO Cc1nnc(-c2ccc(NC(=O)N3CCN(c4cccc(C)[nH+]4)CC3)cc2)o1 ZINC000096152124 136184492 /nfs/dbraw/zinc/18/44/92/136184492.db2.gz KKNSFERGLKRYDG-UHFFFAOYSA-N 1 1 378.436 3.103 50 0 GGAAMO C[C@@H](c1ccc(-c2cc(N3CCN(C)CC3)nc(N)n2)cc1)[NH+]1CCCCC1 ZINC000097766325 136188651 /nfs/dbraw/zinc/18/86/51/136188651.db2.gz XZMSHWUCWWBTAK-KRWDZBQOSA-N 1 1 380.540 3.025 50 0 GGAAMO C[C@H](c1ccc(-c2cc(N3CCN(C)CC3)nc(N)n2)cc1)[NH+]1CCCCC1 ZINC000097766327 136188692 /nfs/dbraw/zinc/18/86/92/136188692.db2.gz XZMSHWUCWWBTAK-QGZVFWFLSA-N 1 1 380.540 3.025 50 0 GGAAMO CC1=NN(c2ccccc2)C(=O)[C@@]12Cc1ccc(Cl)cc1N1CC[N@H+](C)C[C@H]12 ZINC000248110952 136192904 /nfs/dbraw/zinc/19/29/04/136192904.db2.gz HILOINODNGRDPM-UNMCSNQZSA-N 1 1 394.906 3.426 50 0 GGAAMO COc1ccccc1N1CCC(N2CC[N@@H+](CC(C)(C)C)[C@H](CCO)C2)CC1 ZINC000104346698 136196749 /nfs/dbraw/zinc/19/67/49/136196749.db2.gz IMVPNRHAFZBRAR-HXUWFJFHSA-N 1 1 389.584 3.079 50 0 GGAAMO COc1ccccc1N1CCC([N@@H+]2CCN(CC(C)(C)C)[C@H](CCO)C2)CC1 ZINC000104346698 136196750 /nfs/dbraw/zinc/19/67/50/136196750.db2.gz IMVPNRHAFZBRAR-HXUWFJFHSA-N 1 1 389.584 3.079 50 0 GGAAMO COc1ccccc1N1CCC([N@H+]2CCN(CC(C)(C)C)[C@H](CCO)C2)CC1 ZINC000104346698 136196751 /nfs/dbraw/zinc/19/67/51/136196751.db2.gz IMVPNRHAFZBRAR-HXUWFJFHSA-N 1 1 389.584 3.079 50 0 GGAAMO Cc1cccc(CN2CCN(c3cc(C)[nH+]c4ccccc43)C[C@H]2CCO)n1 ZINC000106959354 136196984 /nfs/dbraw/zinc/19/69/84/136196984.db2.gz ZCCRWOYQUUJOBX-HXUWFJFHSA-N 1 1 376.504 3.320 50 0 GGAAMO COc1cccc(C[N@H+]2CCN(c3nccc4ccccc43)C[C@H]2CCO)c1 ZINC000106958757 136201764 /nfs/dbraw/zinc/20/17/64/136201764.db2.gz IOOSELUZWJNGCH-HXUWFJFHSA-N 1 1 377.488 3.317 50 0 GGAAMO COc1cc(OC)c2[nH]c(C)c(C[NH+]3CCN(c4ccccc4)CC3)c(=O)c2c1 ZINC000019793371 136202423 /nfs/dbraw/zinc/20/24/23/136202423.db2.gz FKJIEVHKJPKODD-UHFFFAOYSA-N 1 1 393.487 3.176 50 0 GGAAMO COc1ccc(-c2csc(-n3cc(C4=CC[N@@H+](CCO)CC4)cn3)n2)cc1 ZINC000065454666 222130569 /nfs/dbraw/zinc/13/05/69/222130569.db2.gz IGEQBNSXSRCTRM-UHFFFAOYSA-N 1 1 382.489 3.086 50 0 GGAAMO CCOC(=O)C1C(C[NH+]2CCC(C)CC2)=NC(=O)N[C@H]1c1ccc(CC)cc1 ZINC000067286525 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COc1cc(CN2CC[N@@H+](Cc3ccc(C)cc3)C[C@@H]2CCO)cc(OC)c1 ZINC000019759939 570216848 /nfs/dbraw/zinc/21/68/48/570216848.db2.gz QLPNTVZUUJOJPQ-NRFANRHFSA-N 1 1 384.520 3.081 50 0 GGAAMO Cc1ccccc1[C@@H]1CC[N@@H+](CCNC(=O)Nc2ccc3c(c2)C(=O)OC3)C1 ZINC000096163373 570217280 /nfs/dbraw/zinc/21/72/80/570217280.db2.gz HNRRRKOEGJHRNE-MRXNPFEDSA-N 1 1 379.460 3.276 50 0 GGAAMO C[NH+]1CCN(C(=O)/C(=C/c2cccc3ccccc23)NC(=O)c2ccccc2)CC1 ZINC000019782153 570218675 /nfs/dbraw/zinc/21/86/75/570218675.db2.gz YFSKCXSNZACTDC-NKFKGCMQSA-N 1 1 399.494 3.385 50 0 GGAAMO NC(=O)c1ccc(NC(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1Cl ZINC000096180394 570218798 /nfs/dbraw/zinc/21/87/98/570218798.db2.gz PKINAECGDBYFIS-MRXNPFEDSA-N 1 1 386.883 3.225 50 0 GGAAMO Cc1c2ccccc2[nH]c1C[N@@H+]1CCN(Cc2cccc(C)n2)[C@@H](CCO)C1 ZINC000019789372 570219103 /nfs/dbraw/zinc/21/91/03/570219103.db2.gz LEHLBDNKHAKNPY-FQEVSTJZSA-N 1 1 378.520 3.249 50 0 GGAAMO Cc1c2ccccc2[nH]c1C[N@H+]1CCN(Cc2cccc(C)n2)[C@@H](CCO)C1 ZINC000019789372 570219105 /nfs/dbraw/zinc/21/91/05/570219105.db2.gz LEHLBDNKHAKNPY-FQEVSTJZSA-N 1 1 378.520 3.249 50 0 GGAAMO COc1cccc2c1OCC(CN1CC[N@@H+](Cc3ccccc3)[C@@H](CCO)C1)=C2 ZINC000019792829 570219524 /nfs/dbraw/zinc/21/95/24/570219524.db2.gz ASKFWLMRHTYFIN-QFIPXVFZSA-N 1 1 394.515 3.040 50 0 GGAAMO COc1cccc(CN2CC[N@@H+](Cc3ccc4ncccc4c3)C[C@@H]2CCO)c1 ZINC000019795264 570219974 /nfs/dbraw/zinc/21/99/74/570219974.db2.gz SFBRRCXVCODPRZ-QFIPXVFZSA-N 1 1 391.515 3.312 50 0 GGAAMO COc1cccc(C[N@@H+]2CCN(Cc3ccc4ncccc4c3)C[C@@H]2CCO)c1 ZINC000019795264 570219979 /nfs/dbraw/zinc/21/99/79/570219979.db2.gz SFBRRCXVCODPRZ-QFIPXVFZSA-N 1 1 391.515 3.312 50 0 GGAAMO COc1cccc(C[N@H+]2CCN(Cc3ccc4ncccc4c3)C[C@@H]2CCO)c1 ZINC000019795264 570219981 /nfs/dbraw/zinc/21/99/81/570219981.db2.gz SFBRRCXVCODPRZ-QFIPXVFZSA-N 1 1 391.515 3.312 50 0 GGAAMO COc1ccc(N2C(=O)C[C@H]([NH+]3CCC(Cc4ccccc4)CC3)C2=O)cc1 ZINC000019804626 570220772 /nfs/dbraw/zinc/22/07/72/570220772.db2.gz CHJFHCITPXFBHJ-NRFANRHFSA-N 1 1 378.472 3.282 50 0 GGAAMO COc1cccc(N2C(=O)C[C@H]([NH+]3CCC(Cc4ccccc4)CC3)C2=O)c1 ZINC000000805945 570224354 /nfs/dbraw/zinc/22/43/54/570224354.db2.gz RNAIYUMALACQBB-NRFANRHFSA-N 1 1 378.472 3.282 50 0 GGAAMO OCC[C@@H]1CN(Cc2cnn(-c3cccc(F)c3)c2)CC[N@H+]1Cc1ccccc1 ZINC000019841192 570224710 /nfs/dbraw/zinc/22/47/10/570224710.db2.gz UWCGTXORFOLUAH-HSZRJFAPSA-N 1 1 394.494 3.080 50 0 GGAAMO C[N@H+](Cc1cn(Cc2ccccc2)nc1-c1cc2ccccc2o1)C[C@@H](O)CO ZINC000019852999 570225693 /nfs/dbraw/zinc/22/56/93/570225693.db2.gz BYNLYDGBZXMKMC-HXUWFJFHSA-N 1 1 391.471 3.130 50 0 GGAAMO CCCOc1ccc(C(=O)NC(=S)N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000020064275 570238372 /nfs/dbraw/zinc/23/83/72/570238372.db2.gz NKTYSAPYUJUMJV-UHFFFAOYSA-N 1 1 397.544 3.308 50 0 GGAAMO OC[C@H]1C[N@@H+](C/C=C/c2ccccc2)CCC12CCN(Cc1ncc[nH]1)CC2 ZINC000097272516 570240582 /nfs/dbraw/zinc/24/05/82/570240582.db2.gz IGIIJSDJFUAYOV-HXRGIAOBSA-N 1 1 380.536 3.020 50 0 GGAAMO OC[C@@H]1C[N@@H+](C/C=C/c2ccccc2)CCC12CCN(Cc1ncc[nH]1)CC2 ZINC000097272515 570240643 /nfs/dbraw/zinc/24/06/43/570240643.db2.gz IGIIJSDJFUAYOV-XBGMYJNYSA-N 1 1 380.536 3.020 50 0 GGAAMO OC[C@H]1CN(Cc2ccc(Cl)o2)CCC12CC[NH+](C1CCOCC1)CC2 ZINC000097437013 570243961 /nfs/dbraw/zinc/24/39/61/570243961.db2.gz SFFPGFHGOBNTSU-MRXNPFEDSA-N 1 1 382.932 3.008 50 0 GGAAMO COc1cc(CN2CC[N@H+](C/C=C/c3ccccc3)C[C@@H]2CCO)cc(OC)c1 ZINC000020149556 570244156 /nfs/dbraw/zinc/24/41/56/570244156.db2.gz DGBBJPQZXMXPMM-OUZREKFBSA-N 1 1 396.531 3.286 50 0 GGAAMO COc1cc(CN2CC[N@@H+](C/C=C/c3ccccc3)C[C@@H]2CCO)cc(OC)c1 ZINC000020149556 570244158 /nfs/dbraw/zinc/24/41/58/570244158.db2.gz DGBBJPQZXMXPMM-OUZREKFBSA-N 1 1 396.531 3.286 50 0 GGAAMO O=C1C[C@@H]([NH+]2CCC(c3nc4ccccc4o3)CC2)C(=O)N1c1ccc(F)cc1 ZINC000001125708 570244165 /nfs/dbraw/zinc/24/41/65/570244165.db2.gz XEALPHHGYFGUHP-GOSISDBHSA-N 1 1 393.418 3.478 50 0 GGAAMO O=C(c1cc(=O)[nH]c2ccccc21)N1CCC[N@@H+](Cc2ccccc2F)CC1 ZINC000097480050 570244961 /nfs/dbraw/zinc/24/49/61/570244961.db2.gz KZRAKDDYESSXPK-UHFFFAOYSA-N 1 1 379.435 3.015 50 0 GGAAMO O=C(c1cc(=O)[nH]c2ccccc21)N1CCC[N@H+](Cc2ccccc2F)CC1 ZINC000097480050 570244964 /nfs/dbraw/zinc/24/49/64/570244964.db2.gz KZRAKDDYESSXPK-UHFFFAOYSA-N 1 1 379.435 3.015 50 0 GGAAMO C[NH+]1CCC(N(Cc2ccncc2)C(=O)c2cc(-c3ccccc3)[nH]n2)CC1 ZINC000097514273 570245303 /nfs/dbraw/zinc/24/53/03/570245303.db2.gz SANOFWOJRCKEGG-UHFFFAOYSA-N 1 1 375.476 3.208 50 0 GGAAMO O=C(NC[C@H](c1cccnc1)[NH+]1CCCCC1)c1cc(-c2ccccc2)n[nH]1 ZINC000097594964 570247613 /nfs/dbraw/zinc/24/76/13/570247613.db2.gz NHKNGLYQQRPZAX-OAQYLSRUSA-N 1 1 375.476 3.429 50 0 GGAAMO O=C(NC[C@@H](c1cccnc1)[NH+]1CCCCC1)c1cc(-c2ccccc2)n[nH]1 ZINC000097594963 570247750 /nfs/dbraw/zinc/24/77/50/570247750.db2.gz NHKNGLYQQRPZAX-NRFANRHFSA-N 1 1 375.476 3.429 50 0 GGAAMO CCn1ncc(C[N@H+]2CCC[C@H](N3CCN(c4ccccc4OC)CC3)C2)c1C ZINC000020211340 570248241 /nfs/dbraw/zinc/24/82/41/570248241.db2.gz YRLVRAXSLRHZKR-NRFANRHFSA-N 1 1 397.567 3.007 50 0 GGAAMO CCn1ncc(CN2CCC[C@H]([NH+]3CCN(c4ccccc4OC)CC3)C2)c1C ZINC000020211340 570248242 /nfs/dbraw/zinc/24/82/42/570248242.db2.gz YRLVRAXSLRHZKR-NRFANRHFSA-N 1 1 397.567 3.007 50 0 GGAAMO OCC[C@H]1CN(Cc2cc3c(cc2Cl)OCO3)CC[N@H+]1C1CCCCC1 ZINC000020236241 570249515 /nfs/dbraw/zinc/24/95/15/570249515.db2.gz VVXVXPPXCQDTJB-KRWDZBQOSA-N 1 1 380.916 3.270 50 0 GGAAMO O=C(Nc1ccc(OC(F)(F)F)cc1)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000097694747 570249685 /nfs/dbraw/zinc/24/96/85/570249685.db2.gz NBQPJFRUGVZSPZ-HNNXBMFYSA-N 1 1 387.402 3.304 50 0 GGAAMO O=C(Nc1ccc(OC(F)(F)F)cc1)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000097694745 570249746 /nfs/dbraw/zinc/24/97/46/570249746.db2.gz NBQPJFRUGVZSPZ-OAHLLOKOSA-N 1 1 387.402 3.304 50 0 GGAAMO COc1ccc2c(c1)c([C@@H](O)CN1CC[NH+](C)CC1)c(C)n2Cc1ccccc1 ZINC000020290499 570251583 /nfs/dbraw/zinc/25/15/83/570251583.db2.gz DWXLJJKNPWNOIK-QHCPKHFHSA-N 1 1 393.531 3.287 50 0 GGAAMO CCC(=O)c1ccc(OC[C@H](O)C[NH+]2CCN(c3ccc(C)cc3C)CC2)cc1 ZINC000020326995 570252346 /nfs/dbraw/zinc/25/23/46/570252346.db2.gz XJVDLJDTBFXRPL-OAQYLSRUSA-N 1 1 396.531 3.458 50 0 GGAAMO COc1cccc(C[NH+]2CCN(Cc3cc(=O)oc4cc(C)ccc34)CC2)c1 ZINC000020407895 570254604 /nfs/dbraw/zinc/25/46/04/570254604.db2.gz OLNDCEQENSBVDA-UHFFFAOYSA-N 1 1 378.472 3.428 50 0 biogenic GGAAMO CC(=O)c1ccc2[nH]c(C)c(CN3CC[NH+](Cc4ccccc4)CC3)c(=O)c2c1 ZINC000019793392 570254780 /nfs/dbraw/zinc/25/47/80/570254780.db2.gz IBODJNQMWKMJPU-UHFFFAOYSA-N 1 1 389.499 3.357 50 0 GGAAMO Cn1c(CO)nnc1[C@@H]1CCC[N@@H+](CC(c2ccccc2)c2ccccc2)C1 ZINC000097773251 570254959 /nfs/dbraw/zinc/25/49/59/570254959.db2.gz XQNINRFFLSSRIY-HXUWFJFHSA-N 1 1 376.504 3.319 50 0 GGAAMO CN1CC[NH+](CCCNC(=O)c2ccccc2SCc2ccccc2)CC1 ZINC000022933762 570254998 /nfs/dbraw/zinc/25/49/98/570254998.db2.gz KMZYASCFXFXGIA-UHFFFAOYSA-N 1 1 383.561 3.346 50 0 GGAAMO COCC[NH+]1CCN(C(=O)CC2c3ccccc3CCc3ccccc32)CC1 ZINC000020448712 570255913 /nfs/dbraw/zinc/25/59/13/570255913.db2.gz PYSHKKCTTSWLPJ-UHFFFAOYSA-N 1 1 378.516 3.098 50 0 GGAAMO CCOCc1cc(CN2CC[N@@H+](CCC(C)C)[C@@H](CCO)C2)ccc1OC ZINC000020450673 570256866 /nfs/dbraw/zinc/25/68/66/570256866.db2.gz LEOSRNVVVWZYSL-NRFANRHFSA-N 1 1 378.557 3.146 50 0 GGAAMO COc1ccc(CN2CC[N@H+](C3CCSCC3)C[C@H]2CCO)c(C)c1C ZINC000104331012 570257189 /nfs/dbraw/zinc/25/71/89/570257189.db2.gz NBCVNIUPYTUBQC-HXUWFJFHSA-N 1 1 378.582 3.076 50 0 GGAAMO CC(C)=CC[N@H+]1CCN(Cc2cccn2-c2ccc(Cl)cn2)C[C@H]1CCO ZINC000104373790 570257951 /nfs/dbraw/zinc/25/79/51/570257951.db2.gz NEQNWPKJVCSSHT-LJQANCHMSA-N 1 1 388.943 3.361 50 0 GGAAMO COc1cc(CN2CC[N@@H+](CCCc3ccccc3)C[C@@H]2CCO)cc(OC)c1 ZINC000020455214 570258645 /nfs/dbraw/zinc/25/86/45/570258645.db2.gz NAMLHHQXAPISTO-QFIPXVFZSA-N 1 1 398.547 3.205 50 0 GGAAMO Cc1ccccc1C[N@H+]1CCN(Cc2cnn(-c3ccccc3)c2)C[C@H]1CCO ZINC000104482950 570259073 /nfs/dbraw/zinc/25/90/73/570259073.db2.gz AVNOAEDUCJYRKJ-XMMPIXPASA-N 1 1 390.531 3.250 50 0 GGAAMO CCOc1ccccc1C[N@@H+]1CCN(Cc2cc(F)ccc2F)C[C@H]1CCO ZINC000104463648 570259337 /nfs/dbraw/zinc/25/93/37/570259337.db2.gz BCJPLJBPUICTHQ-HXUWFJFHSA-N 1 1 390.474 3.432 50 0 GGAAMO CCOc1ccccc1C[N@H+]1CCN(Cc2cc(F)ccc2F)C[C@H]1CCO ZINC000104463648 570259338 /nfs/dbraw/zinc/25/93/38/570259338.db2.gz BCJPLJBPUICTHQ-HXUWFJFHSA-N 1 1 390.474 3.432 50 0 GGAAMO COc1cc(CN2CC[N@H+](Cc3ccc(C)o3)[C@H](CCO)C2)c(Cl)cc1O ZINC000104465792 570259439 /nfs/dbraw/zinc/25/94/39/570259439.db2.gz PKYOKUYVBVRUKP-MRXNPFEDSA-N 1 1 394.899 3.024 50 0 GGAAMO COc1cc(CN2CC[N@@H+](Cc3ccc(C)o3)[C@H](CCO)C2)c(Cl)cc1O ZINC000104465792 570259441 /nfs/dbraw/zinc/25/94/41/570259441.db2.gz PKYOKUYVBVRUKP-MRXNPFEDSA-N 1 1 394.899 3.024 50 0 GGAAMO COc1ccc(C[N@H+]2CCN(Cc3ccccc3OC)C[C@H]2CCO)cc1C ZINC000104499296 570259456 /nfs/dbraw/zinc/25/94/56/570259456.db2.gz ZYYGVHIVVICNTF-OAQYLSRUSA-N 1 1 384.520 3.081 50 0 GGAAMO COc1ccc(CN2CC[N@@H+](Cc3ccc(OC)c(C)c3)[C@H](CCO)C2)cc1 ZINC000104518113 570260211 /nfs/dbraw/zinc/26/02/11/570260211.db2.gz RTLJKOWTXPIYGW-OAQYLSRUSA-N 1 1 384.520 3.081 50 0 GGAAMO COc1ccc(C[N@@H+]2CCN(Cc3ccc(OC)c(C)c3)[C@H](CCO)C2)cc1 ZINC000104518113 570260213 /nfs/dbraw/zinc/26/02/13/570260213.db2.gz RTLJKOWTXPIYGW-OAQYLSRUSA-N 1 1 384.520 3.081 50 0 GGAAMO COc1ccc(C[N@H+]2CCN(Cc3ccc(OC)c(C)c3)[C@H](CCO)C2)cc1 ZINC000104518113 570260214 /nfs/dbraw/zinc/26/02/14/570260214.db2.gz RTLJKOWTXPIYGW-OAQYLSRUSA-N 1 1 384.520 3.081 50 0 GGAAMO COc1ccc(CN2CC[N@@H+](CCCc3ccccc3)C[C@H]2CCO)c(F)c1 ZINC000104512899 570260248 /nfs/dbraw/zinc/26/02/48/570260248.db2.gz RPJVKEPYIFHZLM-OAQYLSRUSA-N 1 1 386.511 3.336 50 0 GGAAMO Cc1ccc(C[N@@H+]2CCN(Cc3nc(-c4ccccc4)no3)C[C@H]2CCO)cc1 ZINC000104629669 570260552 /nfs/dbraw/zinc/26/05/52/570260552.db2.gz HYGJTQPDXBONNJ-OAQYLSRUSA-N 1 1 392.503 3.114 50 0 GGAAMO Cc1ccc(C[N@H+]2CCN(Cc3nc(-c4ccccc4)no3)C[C@H]2CCO)cc1 ZINC000104629669 570260553 /nfs/dbraw/zinc/26/05/53/570260553.db2.gz HYGJTQPDXBONNJ-OAQYLSRUSA-N 1 1 392.503 3.114 50 0 GGAAMO CCOc1ccccc1C[N@@H+]1CCN(Cc2cc(C(C)C)n[nH]2)C[C@H]1CCO ZINC000104633599 570260593 /nfs/dbraw/zinc/26/05/93/570260593.db2.gz BKYDPZPAYOPZOW-HXUWFJFHSA-N 1 1 386.540 3.001 50 0 GGAAMO CCOc1ccccc1C[N@H+]1CCN(Cc2cc(C(C)C)n[nH]2)C[C@H]1CCO ZINC000104633599 570260594 /nfs/dbraw/zinc/26/05/94/570260594.db2.gz BKYDPZPAYOPZOW-HXUWFJFHSA-N 1 1 386.540 3.001 50 0 GGAAMO CC(C)=CC[N@H+]1CCN(Cc2cnn(-c3ccc(Cl)cc3)c2)C[C@@H]1CCO ZINC000020481798 570261926 /nfs/dbraw/zinc/26/19/26/570261926.db2.gz MVYZKBFSMFAECS-NRFANRHFSA-N 1 1 388.943 3.361 50 0 GGAAMO CC[N@H+]1CCC[C@@H]1CN/C=C1\c2ccccc2C(=O)N(c2ccccc2)C1=O ZINC000020533308 570265342 /nfs/dbraw/zinc/26/53/42/570265342.db2.gz JZAHLXOLUUBHNR-WKSXIXGESA-N 1 1 375.472 3.288 50 0 GGAAMO S=C(NCCC[NH+]1CCOCC1)N(Cc1ccccc1)Cc1ccccc1 ZINC000020522340 570265384 /nfs/dbraw/zinc/26/53/84/570265384.db2.gz KZMKKHGMDGPXOP-UHFFFAOYSA-N 1 1 383.561 3.286 50 0 GGAAMO Cc1cccc(-n2ccnc2CN2CC[N@@H+](Cc3ccccc3)[C@@H](CCO)C2)c1 ZINC000020534145 570265755 /nfs/dbraw/zinc/26/57/55/570265755.db2.gz RNPKVVQQPQJIEA-QHCPKHFHSA-N 1 1 390.531 3.250 50 0 GGAAMO COc1ccc(C[N@@H+]2CCC[C@@H](N3CCN(c4ccc(F)cc4)CC3)C2)cc1O ZINC000020535510 570265776 /nfs/dbraw/zinc/26/57/76/570265776.db2.gz DRDJEXNHHCQXNI-OAQYLSRUSA-N 1 1 399.510 3.327 50 0 GGAAMO COc1ccc(C[N@H+]2CCC[C@@H](N3CCN(c4ccc(F)cc4)CC3)C2)cc1O ZINC000020535510 570265778 /nfs/dbraw/zinc/26/57/78/570265778.db2.gz DRDJEXNHHCQXNI-OAQYLSRUSA-N 1 1 399.510 3.327 50 0 GGAAMO COc1cc(CN2CC[N@H+](C3CCCCC3)[C@@H](CCO)C2)c(Cl)cc1O ZINC000020536045 570266173 /nfs/dbraw/zinc/26/61/73/570266173.db2.gz GDEMTWPLPJSOBH-KRWDZBQOSA-N 1 1 382.932 3.256 50 0 GGAAMO COc1ccc(CN2CC[N@@H+](Cc3ccc(OC)c(C)c3)[C@@H](CCO)C2)cc1 ZINC000020537639 570266202 /nfs/dbraw/zinc/26/62/02/570266202.db2.gz RTLJKOWTXPIYGW-NRFANRHFSA-N 1 1 384.520 3.081 50 0 GGAAMO COc1ccc(C[N@@H+]2CCN(Cc3ccc(OC)c(C)c3)[C@@H](CCO)C2)cc1 ZINC000020537639 570266207 /nfs/dbraw/zinc/26/62/07/570266207.db2.gz RTLJKOWTXPIYGW-NRFANRHFSA-N 1 1 384.520 3.081 50 0 GGAAMO COc1ccc(C[N@H+]2CCN(Cc3ccc(OC)c(C)c3)[C@@H](CCO)C2)cc1 ZINC000020537639 570266210 /nfs/dbraw/zinc/26/62/10/570266210.db2.gz RTLJKOWTXPIYGW-NRFANRHFSA-N 1 1 384.520 3.081 50 0 GGAAMO OCC[C@@H]1C[N@H+](C2CCN(c3ccccc3)CC2)CCN1CCc1ccccc1 ZINC000020536005 570266285 /nfs/dbraw/zinc/26/62/85/570266285.db2.gz YIFFMFYODFRCCI-RUZDIDTESA-N 1 1 393.575 3.267 50 0 GGAAMO OCC[C@@H]1CN(C2CCN(c3ccccc3)CC2)CC[N@@H+]1CCc1ccccc1 ZINC000020536005 570266288 /nfs/dbraw/zinc/26/62/88/570266288.db2.gz YIFFMFYODFRCCI-RUZDIDTESA-N 1 1 393.575 3.267 50 0 GGAAMO OCC[C@@H]1CN(C2CCN(c3ccccc3)CC2)CC[N@H+]1CCc1ccccc1 ZINC000020536005 570266289 /nfs/dbraw/zinc/26/62/89/570266289.db2.gz YIFFMFYODFRCCI-RUZDIDTESA-N 1 1 393.575 3.267 50 0 GGAAMO CCn1cc(-c2cc(C(=O)N[C@@H]3CCC[N@@H+](C)C3)c3ccc(C)cc3n2)cn1 ZINC000020543348 570266986 /nfs/dbraw/zinc/26/69/86/570266986.db2.gz XPNMDLBJRLECRD-QGZVFWFLSA-N 1 1 377.492 3.251 50 0 GGAAMO COc1ccc(OC)c([C@H](O)C[NH+]2CCN(c3cccc(Cl)c3)CC2)c1 ZINC000049420852 570267240 /nfs/dbraw/zinc/26/72/40/570267240.db2.gz ZXQUSNXXCQJOGQ-LJQANCHMSA-N 1 1 376.884 3.213 50 0 GGAAMO CCOC(=O)C1=C(C[N@H+](CC)Cc2ccccc2)NC(=O)N[C@H]1c1cccs1 ZINC000020559148 570267864 /nfs/dbraw/zinc/26/78/64/570267864.db2.gz MBTWZGQYVNOYSW-IBGZPJMESA-N 1 1 399.516 3.441 50 0 GGAAMO CCOC(=O)C1=C(C[N@@H+](CC)Cc2ccccc2)NC(=O)N[C@H]1c1cccs1 ZINC000020559148 570267867 /nfs/dbraw/zinc/26/78/67/570267867.db2.gz MBTWZGQYVNOYSW-IBGZPJMESA-N 1 1 399.516 3.441 50 0 GGAAMO Cc1c(C)n(CCc2ccccc2)c2ncnc(NCCC[NH+]3CCOCC3)c12 ZINC000020591275 570269234 /nfs/dbraw/zinc/26/92/34/570269234.db2.gz ZHVDUPQGWQTFOF-UHFFFAOYSA-N 1 1 393.535 3.425 50 0 GGAAMO COc1cc(CN2CC[N@@H+](CCC(C)C)[C@@H](CCO)C2)cc(Cl)c1OC ZINC000020598553 570269758 /nfs/dbraw/zinc/26/97/58/570269758.db2.gz JZEVVYVAIVYFNQ-KRWDZBQOSA-N 1 1 384.948 3.272 50 0 GGAAMO Cn1cc(C[NH2+]CC2(N3CCN(C)CC3)CCCCC2)c(-c2ccccc2F)n1 ZINC000020600733 570270033 /nfs/dbraw/zinc/27/00/33/570270033.db2.gz QFFKCZYCMQJCFV-UHFFFAOYSA-N 1 1 399.558 3.266 50 0 GGAAMO COc1ccc2c(c1)CCN(C(=O)NC[C@H]1CCC[N@@H+](Cc3ccco3)C1)C2 ZINC000584902796 570272061 /nfs/dbraw/zinc/27/20/61/570272061.db2.gz YGCMFSQHIRQGMP-QGZVFWFLSA-N 1 1 383.492 3.268 50 0 GGAAMO CC[NH+]1CCN(C(=O)COc2ccc3c(c2)occ(-c2ccccc2)c3=O)CC1 ZINC000020646554 570274178 /nfs/dbraw/zinc/27/41/78/570274178.db2.gz MZTOIQVBOWCFKV-UHFFFAOYSA-N 1 1 392.455 3.003 50 0 biogenic GGAAMO Fc1ccc(-c2ccc(N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)nn2)cc1 ZINC000020745522 570279342 /nfs/dbraw/zinc/27/93/42/570279342.db2.gz ZRADODOADYGJKX-UHFFFAOYSA-N 1 1 392.434 3.334 50 0 GGAAMO CCOC(=O)[C@@H]1[C@H](c2ccccc2)[C@@H]2CCC[N@H+]2[C@@]12c1ccccc1NC2=O ZINC000214078886 570279625 /nfs/dbraw/zinc/27/96/25/570279625.db2.gz ULFMCIGWGKGASG-SRYPRDQNSA-N 1 1 376.456 3.275 50 0 GGAAMO OCC[C@@H]1CN(Cc2cccn2-c2cccnc2)CC[N@@H+]1Cc1ccsc1 ZINC000020776195 570279961 /nfs/dbraw/zinc/27/99/61/570279961.db2.gz SOLRFGLJSACXNM-HXUWFJFHSA-N 1 1 382.533 3.003 50 0 GGAAMO OCC[C@@H]1CN(Cc2cccn2-c2cccnc2)CC[N@H+]1Cc1ccsc1 ZINC000020776195 570279962 /nfs/dbraw/zinc/27/99/62/570279962.db2.gz SOLRFGLJSACXNM-HXUWFJFHSA-N 1 1 382.533 3.003 50 0 GGAAMO CCc1ccc(C[N@H+]2CCN(Cc3cc(OC)cc(OC)c3)[C@@H](CCO)C2)cc1 ZINC000020906115 570283782 /nfs/dbraw/zinc/28/37/82/570283782.db2.gz ZSVXHYIGWXTMFN-QFIPXVFZSA-N 1 1 398.547 3.335 50 0 GGAAMO COc1cccc(CN2CC[N@@H+](CCCc3ccccc3)[C@@H](CCO)C2)c1OC ZINC000020909237 570284111 /nfs/dbraw/zinc/28/41/11/570284111.db2.gz NGVROKCGSKDCKK-QFIPXVFZSA-N 1 1 398.547 3.205 50 0 GGAAMO OCC[C@@H]1C[N@H+](C2CCN(c3ccccc3F)CC2)CCN1Cc1ccccc1 ZINC000020914200 570284463 /nfs/dbraw/zinc/28/44/63/570284463.db2.gz NLBDEHFBEXFIAX-JOCHJYFZSA-N 1 1 397.538 3.363 50 0 GGAAMO OCC[C@@H]1CN(C2CCN(c3ccccc3F)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000020914200 570284465 /nfs/dbraw/zinc/28/44/65/570284465.db2.gz NLBDEHFBEXFIAX-JOCHJYFZSA-N 1 1 397.538 3.363 50 0 GGAAMO OCC[C@@H]1CN(C2CCN(c3ccccc3F)CC2)CC[N@H+]1Cc1ccccc1 ZINC000020914200 570284466 /nfs/dbraw/zinc/28/44/66/570284466.db2.gz NLBDEHFBEXFIAX-JOCHJYFZSA-N 1 1 397.538 3.363 50 0 GGAAMO COc1ccc(CN2CC[N@@H+](CCCc3ccccc3)[C@@H](CCO)C2)cc1OC ZINC000020911340 570284662 /nfs/dbraw/zinc/28/46/62/570284662.db2.gz AEEMKZGOMJZRQN-QFIPXVFZSA-N 1 1 398.547 3.205 50 0 GGAAMO OCC[C@H]1C[N@H+](Cc2ccc(OC(F)F)cc2)CCN1Cc1ccc(F)cc1 ZINC000020995932 570286245 /nfs/dbraw/zinc/28/62/45/570286245.db2.gz UETOEMPFJNJLCQ-IBGZPJMESA-N 1 1 394.437 3.496 50 0 GGAAMO OCC[C@H]1C[N@@H+](Cc2ccc(OC(F)F)cc2)CCN1Cc1ccc(F)cc1 ZINC000020995932 570286248 /nfs/dbraw/zinc/28/62/48/570286248.db2.gz UETOEMPFJNJLCQ-IBGZPJMESA-N 1 1 394.437 3.496 50 0 GGAAMO C[C@H]1C[N@@H+](C)CCCN1C(=O)c1cc(-c2cnn(C)c2)nc2ccc(Cl)cc21 ZINC000020992126 570286259 /nfs/dbraw/zinc/28/62/59/570286259.db2.gz WFSUOFVOZBYOPV-AWEZNQCLSA-N 1 1 397.910 3.455 50 0 GGAAMO FC(F)(F)c1cccc(N2CC[NH+]([C@H]3CCCN(Cc4cnc[nH]4)C3)CC2)c1 ZINC000020993872 570286321 /nfs/dbraw/zinc/28/63/21/570286321.db2.gz YFXIEAQWLLZFBD-IBGZPJMESA-N 1 1 393.457 3.215 50 0 GGAAMO COc1cc(CN2CC[N@H+](C3CCCCCC3)C[C@@H]2CCO)cc(OC)c1 ZINC000020998471 570286895 /nfs/dbraw/zinc/28/68/95/570286895.db2.gz GMBSIKCCYNYIQS-FQEVSTJZSA-N 1 1 376.541 3.295 50 0 GGAAMO O=C(NC[C@@H]1CCC[N@H+](C2CSCCSC2)C1)c1cc2ccccc2[nH]1 ZINC000020999561 570287307 /nfs/dbraw/zinc/28/73/07/570287307.db2.gz RSAXLXPHFYLKMA-HNNXBMFYSA-N 1 1 389.590 3.458 50 0 GGAAMO O=C(NCc1cccc(OC(F)(F)F)c1)[C@H](c1cccnc1)[NH+]1CCCC1 ZINC000102541011 570289847 /nfs/dbraw/zinc/28/98/47/570289847.db2.gz NTWKTMUNALRBOT-KRWDZBQOSA-N 1 1 379.382 3.434 50 0 GGAAMO Cc1noc2nc(C)cc(C(=O)NC[C@@H](c3cccnc3)[NH+]3CCCCC3)c12 ZINC000215702956 570290656 /nfs/dbraw/zinc/29/06/56/570290656.db2.gz UWONXPILWGLUQF-SFHVURJKSA-N 1 1 379.464 3.192 50 0 GGAAMO C[N@H+]1CC[C@@H](C(=O)N2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)C1 ZINC000215855356 570292377 /nfs/dbraw/zinc/29/23/77/570292377.db2.gz UXZZKFBGPYMQNV-LJQANCHMSA-N 1 1 378.516 3.113 50 0 GGAAMO CN1CCN(CC[C@@H]2CCCC[N@@H+]2Cc2cnn(-c3ccc(F)cc3)c2)CC1 ZINC000215962208 570293923 /nfs/dbraw/zinc/29/39/23/570293923.db2.gz IDNJIKWFCAVGGQ-NRFANRHFSA-N 1 1 385.531 3.003 50 0 GGAAMO CN1CCN(CC[C@@H]2CCCC[N@H+]2Cc2cnn(-c3ccc(F)cc3)c2)CC1 ZINC000215962208 570293924 /nfs/dbraw/zinc/29/39/24/570293924.db2.gz IDNJIKWFCAVGGQ-NRFANRHFSA-N 1 1 385.531 3.003 50 0 GGAAMO Cc1c(C)n(CC[NH+]2CCOCC2)c2ncn3nc(-c4cccc(C)c4)nc3c12 ZINC000021801904 570296725 /nfs/dbraw/zinc/29/67/25/570296725.db2.gz YGYRDBUDWCLNNL-UHFFFAOYSA-N 1 1 390.491 3.003 50 0 GGAAMO CCCOCC[NH+]1CCN(C(=O)c2cc(C)nc3cc(Cl)ccc32)CC1 ZINC000216148991 570296866 /nfs/dbraw/zinc/29/68/66/570296866.db2.gz CXDLYGCLTFZADC-UHFFFAOYSA-N 1 1 375.900 3.381 50 0 GGAAMO CCn1cc(C[N@H+](C)Cc2ccccc2OCC(=O)N2CCC(C)CC2)cn1 ZINC000216293664 570298586 /nfs/dbraw/zinc/29/85/86/570298586.db2.gz RMCNZISHUJIQLP-UHFFFAOYSA-N 1 1 384.524 3.172 50 0 GGAAMO CCn1cc(C[N@@H+](C)Cc2ccccc2OCC(=O)N2CCC(C)CC2)cn1 ZINC000216293664 570298589 /nfs/dbraw/zinc/29/85/89/570298589.db2.gz RMCNZISHUJIQLP-UHFFFAOYSA-N 1 1 384.524 3.172 50 0 GGAAMO CN1CC[N@@H+](C)[C@@H](CC(=O)N2CCCC(c3ccccc3)(c3ccccc3)C2)C1 ZINC000216622111 570303729 /nfs/dbraw/zinc/30/37/29/570303729.db2.gz WLWLVNPZVLSABE-QHCPKHFHSA-N 1 1 391.559 3.231 50 0 GGAAMO CN1CC[N@H+](C)C[C@@H]1CC(=O)N1CCCC(c2ccccc2)(c2ccccc2)C1 ZINC000216622111 570303730 /nfs/dbraw/zinc/30/37/30/570303730.db2.gz WLWLVNPZVLSABE-QHCPKHFHSA-N 1 1 391.559 3.231 50 0 GGAAMO CN1CC[N@@H+](C)C[C@@H]1CC(=O)N1CCCC(c2ccccc2)(c2ccccc2)C1 ZINC000216622111 570303733 /nfs/dbraw/zinc/30/37/33/570303733.db2.gz WLWLVNPZVLSABE-QHCPKHFHSA-N 1 1 391.559 3.231 50 0 GGAAMO Cc1oc(-c2cccc(C(F)(F)F)c2)nc1CN1CC[N@H+](C)[C@@H](CCO)C1 ZINC000106727815 570306934 /nfs/dbraw/zinc/30/69/34/570306934.db2.gz QZLHEZYXZURGFB-INIZCTEOSA-N 1 1 383.414 3.167 50 0 GGAAMO Cc1nn(C(C)C)c(C)c1C[N@@H+]1CCN(Cc2ccccc2F)[C@@H](CCO)C1 ZINC000107100227 570308620 /nfs/dbraw/zinc/30/86/20/570308620.db2.gz OYRDSTZHGDTEKT-FQEVSTJZSA-N 1 1 388.531 3.289 50 0 GGAAMO Cc1nn(C(C)C)c(C)c1C[N@H+]1CCN(Cc2ccccc2F)[C@@H](CCO)C1 ZINC000107100227 570308623 /nfs/dbraw/zinc/30/86/23/570308623.db2.gz OYRDSTZHGDTEKT-FQEVSTJZSA-N 1 1 388.531 3.289 50 0 GGAAMO COc1ccc(C[NH+]2CCN(Cc3cc(=O)oc4cc(C)ccc34)CC2)cc1 ZINC000022752941 570326291 /nfs/dbraw/zinc/32/62/91/570326291.db2.gz DJQQYVKQZMWTJD-UHFFFAOYSA-N 1 1 378.472 3.428 50 0 biogenic GGAAMO CCOc1ccc(CN2CC[N@@H+](Cc3ccc(OC)c(C)c3)[C@H](CCO)C2)cc1 ZINC000022853617 570331200 /nfs/dbraw/zinc/33/12/00/570331200.db2.gz ZYHMZRURIGFGQE-JOCHJYFZSA-N 1 1 398.547 3.471 50 0 GGAAMO CCOc1ccc(C[N@@H+]2CCN(Cc3ccc(OC)c(C)c3)[C@H](CCO)C2)cc1 ZINC000022853617 570331206 /nfs/dbraw/zinc/33/12/06/570331206.db2.gz ZYHMZRURIGFGQE-JOCHJYFZSA-N 1 1 398.547 3.471 50 0 GGAAMO CCOc1ccc(C[N@H+]2CCN(Cc3ccc(OC)c(C)c3)[C@H](CCO)C2)cc1 ZINC000022853617 570331210 /nfs/dbraw/zinc/33/12/10/570331210.db2.gz ZYHMZRURIGFGQE-JOCHJYFZSA-N 1 1 398.547 3.471 50 0 GGAAMO OCC[C@@H]1CN(Cc2cccc(-n3cccn3)c2)CC[N@H+]1CC1CCCCC1 ZINC000022852917 570331576 /nfs/dbraw/zinc/33/15/76/570331576.db2.gz XZGVDNCBTMOLRY-HSZRJFAPSA-N 1 1 382.552 3.321 50 0 GGAAMO CCn1c2ccccc2nc1CN1CC[N@H+](Cc2ccc(C)o2)[C@H](CCO)C1 ZINC000022851506 570331661 /nfs/dbraw/zinc/33/16/61/570331661.db2.gz JMBFVKNKCDSJFK-GOSISDBHSA-N 1 1 382.508 3.026 50 0 GGAAMO CCn1c2ccccc2nc1CN1CC[N@@H+](Cc2ccc(C)o2)[C@H](CCO)C1 ZINC000022851506 570331665 /nfs/dbraw/zinc/33/16/65/570331665.db2.gz JMBFVKNKCDSJFK-GOSISDBHSA-N 1 1 382.508 3.026 50 0 GGAAMO Cc1cccc(CN2CC[N@@H+](Cc3cccc4cccnc43)C[C@@H]2CCO)n1 ZINC000022914392 570334464 /nfs/dbraw/zinc/33/44/64/570334464.db2.gz GEXFACXXPSKOFZ-QFIPXVFZSA-N 1 1 376.504 3.007 50 0 GGAAMO OCC[C@@H]1CN(Cc2cccn2-c2nccs2)CC[N@H+]1Cc1ccccc1 ZINC000022932673 570337576 /nfs/dbraw/zinc/33/75/76/570337576.db2.gz HOSFHJNTRIXBED-LJQANCHMSA-N 1 1 382.533 3.003 50 0 GGAAMO Cc1ccc(NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]2Cc3ccccc3C[NH2+]2)c(C)c1 ZINC000035361706 570344592 /nfs/dbraw/zinc/34/45/92/570344592.db2.gz AKSWKQMWUKMJRX-VXKWHMMOSA-N 1 1 393.531 3.487 50 0 GGAAMO CCSc1nnc(C[NH2+]C2CCN(c3cccc(-n4cccn4)c3)CC2)o1 ZINC000023192431 570349191 /nfs/dbraw/zinc/34/91/91/570349191.db2.gz VQVPAPGEIAHOCW-UHFFFAOYSA-N 1 1 384.509 3.126 50 0 GGAAMO O=C(C[N@H+]1CC[C@H](c2ccccc2)C1)NCCc1csc(-c2cccnc2)n1 ZINC000219285812 570351228 /nfs/dbraw/zinc/35/12/28/570351228.db2.gz HYXZSJVGJIUPAM-IBGZPJMESA-N 1 1 392.528 3.353 50 0 GGAAMO O=C(c1cn(Cc2ccccc2Cl)nn1)N1CCC[N@H+](C2CCCC2)CC1 ZINC000023232443 570351632 /nfs/dbraw/zinc/35/16/32/570351632.db2.gz GJVPKEIRIJUIAJ-UHFFFAOYSA-N 1 1 387.915 3.070 50 0 GGAAMO O=C(NCCc1cnccn1)c1ccc([C@H]2CCC[N@@H+]2Cc2ccoc2)s1 ZINC000023312127 570354525 /nfs/dbraw/zinc/35/45/25/570354525.db2.gz YMCHPGKSIVUCPF-QGZVFWFLSA-N 1 1 382.489 3.441 50 0 GGAAMO O=C(NCCc1cnccn1)c1ccc([C@H]2CCC[N@H+]2Cc2ccoc2)s1 ZINC000023312127 570354529 /nfs/dbraw/zinc/35/45/29/570354529.db2.gz YMCHPGKSIVUCPF-QGZVFWFLSA-N 1 1 382.489 3.441 50 0 GGAAMO Cc1cc(-n2cccn2)ccc1C[N@H+]1CCN(Cc2ccccc2)[C@@H](CCO)C1 ZINC000023358897 570356425 /nfs/dbraw/zinc/35/64/25/570356425.db2.gz XSAIXFCWHQNAEP-DEOSSOPVSA-N 1 1 390.531 3.250 50 0 GGAAMO Cc1cc(-n2cccn2)ccc1CN1CC[N@H+](Cc2ccccc2)[C@@H](CCO)C1 ZINC000023358897 570356427 /nfs/dbraw/zinc/35/64/27/570356427.db2.gz XSAIXFCWHQNAEP-DEOSSOPVSA-N 1 1 390.531 3.250 50 0 GGAAMO Cc1cc(-n2cccn2)ccc1CN1CC[N@@H+](Cc2ccccc2)[C@@H](CCO)C1 ZINC000023358897 570356429 /nfs/dbraw/zinc/35/64/29/570356429.db2.gz XSAIXFCWHQNAEP-DEOSSOPVSA-N 1 1 390.531 3.250 50 0 GGAAMO Cc1ccccc1C[N@H+]1CCN(Cc2cnn(-c3ccccc3)c2)C[C@@H]1CCO ZINC000023360943 570356715 /nfs/dbraw/zinc/35/67/15/570356715.db2.gz AVNOAEDUCJYRKJ-DEOSSOPVSA-N 1 1 390.531 3.250 50 0 GGAAMO Cc1cc(F)ccc1N1CCC([N@H+]2CCC[C@H](N3CCC(CO)CC3)C2)CC1 ZINC000023375410 570358916 /nfs/dbraw/zinc/35/89/16/570358916.db2.gz PBDBPDGNMMPFFC-QFIPXVFZSA-N 1 1 389.559 3.272 50 0 GGAAMO Cc1cc(F)ccc1N1CCC(N2CCC[C@H]([NH+]3CCC(CO)CC3)C2)CC1 ZINC000023375410 570358919 /nfs/dbraw/zinc/35/89/19/570358919.db2.gz PBDBPDGNMMPFFC-QFIPXVFZSA-N 1 1 389.559 3.272 50 0 GGAAMO Cc1cc(F)ccc1N1CCC([N@H+]2CCC[C@@H](N3CCC(CO)CC3)C2)CC1 ZINC000023375408 570359056 /nfs/dbraw/zinc/35/90/56/570359056.db2.gz PBDBPDGNMMPFFC-JOCHJYFZSA-N 1 1 389.559 3.272 50 0 GGAAMO Cc1cc(F)ccc1N1CCC(N2CCC[C@@H]([NH+]3CCC(CO)CC3)C2)CC1 ZINC000023375408 570359059 /nfs/dbraw/zinc/35/90/59/570359059.db2.gz PBDBPDGNMMPFFC-JOCHJYFZSA-N 1 1 389.559 3.272 50 0 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390.572 3.351 50 0 GGAAMO COCCCN(C[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)C(=O)c1cc(CC(C)C)[nH]n1 ZINC000409414552 231203518 /nfs/dbraw/zinc/20/35/18/231203518.db2.gz MJDYLKVEQWCGOC-RXVVDRJESA-N 1 1 390.572 3.351 50 0 GGAAMO COCCCN(C[C@@H]1CCC[N@H+]2CCCC[C@@H]12)C(=O)c1cc(CC(C)C)[nH]n1 ZINC000409414552 231203522 /nfs/dbraw/zinc/20/35/22/231203522.db2.gz MJDYLKVEQWCGOC-RXVVDRJESA-N 1 1 390.572 3.351 50 0 GGAAMO Cc1ccc[nH+]c1N1CCN(C(=O)NC2CCN(c3ccccc3F)CC2)CC1 ZINC000426359517 231206746 /nfs/dbraw/zinc/20/67/46/231206746.db2.gz AXHCGEOCYQDLHJ-UHFFFAOYSA-N 1 1 397.498 3.030 50 0 GGAAMO Cc1ccccc1CN1CCn2c1nc1c(c2=O)C[N@@H+](Cc2ccccc2)CC1 ZINC000409444150 231207420 /nfs/dbraw/zinc/20/74/20/231207420.db2.gz CPNBPKFMVTVDRX-UHFFFAOYSA-N 1 1 386.499 3.130 50 0 GGAAMO O=C(NC1(C[NH+]2CCOCC2)CCCC1)c1ccc(-c2ccccc2O)cc1 ZINC000426358925 231207710 /nfs/dbraw/zinc/20/77/10/231207710.db2.gz FZARKPQFRYYZCX-UHFFFAOYSA-N 1 1 380.488 3.434 50 0 GGAAMO O=C(NCCC[N@@H+]1CCC[C@@H](O)C1)c1ccc(-c2ccc3[nH]ccc3c2)cc1 ZINC000426370513 231208171 /nfs/dbraw/zinc/20/81/71/231208171.db2.gz MMQSHSWKKKZIJG-OAQYLSRUSA-N 1 1 377.488 3.412 50 0 GGAAMO Cc1cc(-c2ccc(C(=O)N3CC[N@@H+](C)[C@H](CCO)C3)cc2)nc2ccccc12 ZINC000426361262 231208774 /nfs/dbraw/zinc/20/87/74/231208774.db2.gz VUUDMJJMDHUEOP-HXUWFJFHSA-N 1 1 389.499 3.349 50 0 GGAAMO Cc1cc(-c2ccc(C(=O)N3CC[N@H+](C)[C@H](CCO)C3)cc2)nc2ccccc12 ZINC000426361262 231208778 /nfs/dbraw/zinc/20/87/78/231208778.db2.gz VUUDMJJMDHUEOP-HXUWFJFHSA-N 1 1 389.499 3.349 50 0 GGAAMO Nc1ncc(-c2cccc(C(=O)N3CCC[N@H+](C4CCCCC4)CC3)c2)cn1 ZINC000426376396 231209297 /nfs/dbraw/zinc/20/92/97/231209297.db2.gz PEFKVTWWLBWNPR-UHFFFAOYSA-N 1 1 379.508 3.037 50 0 GGAAMO O=C(NCCC[N@@H+]1CCCC[C@H]1CO)N(Cc1cccc(Cl)c1)C1CC1 ZINC000426374146 231210240 /nfs/dbraw/zinc/21/02/40/231210240.db2.gz JDQRXVVICMNDBK-IBGZPJMESA-N 1 1 379.932 3.251 50 0 GGAAMO COc1ccc(C[N@H+]2CCC[C@@H](c3nnc(CN4CCCCC4)n3C)C2)cc1 ZINC000426397671 231213725 /nfs/dbraw/zinc/21/37/25/231213725.db2.gz YLMZYBDGAFDJJK-LJQANCHMSA-N 1 1 383.540 3.189 50 0 GGAAMO CO[C@]12CC[N@H+](Cc3cnc(SC)nc3)[C@H]1C[C@@H](Oc1ccccn1)CC2 ZINC000426486144 231227126 /nfs/dbraw/zinc/22/71/26/231227126.db2.gz MEYFALOHDREVOY-ABSDTBQOSA-N 1 1 386.521 3.185 50 0 GGAAMO CO[C@]12CC[N@@H+](Cc3cnc(SC)nc3)[C@H]1C[C@@H](Oc1ccccn1)CC2 ZINC000426486144 231227128 /nfs/dbraw/zinc/22/71/28/231227128.db2.gz MEYFALOHDREVOY-ABSDTBQOSA-N 1 1 386.521 3.185 50 0 GGAAMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)N1Cc2cnc(C(C)(C)C)nc2C1 ZINC000426533749 231237095 /nfs/dbraw/zinc/23/70/95/231237095.db2.gz HAZQLCMAVDFFCS-UHFFFAOYSA-N 1 1 390.491 3.494 50 0 GGAAMO CO[C@]12CC[N@@H+](Cc3c(C)nn(C)c3Cl)[C@H]1C[C@@H](Oc1ccccn1)CC2 ZINC000426442692 231222557 /nfs/dbraw/zinc/22/25/57/231222557.db2.gz QREWGWQEOIJHAD-RIFZZMRRSA-N 1 1 390.915 3.368 50 0 GGAAMO O=C(NCCCC[C@@H]1CCCO1)N1CCC[N@@H+](Cc2cccc(F)c2)CC1 ZINC000426674294 231252074 /nfs/dbraw/zinc/25/20/74/231252074.db2.gz RQSRUWHXLUHTHK-HXUWFJFHSA-N 1 1 377.504 3.392 50 0 GGAAMO O=C(NCCCC[C@@H]1CCCO1)N1CCC[N@H+](Cc2cccc(F)c2)CC1 ZINC000426674294 231252078 /nfs/dbraw/zinc/25/20/78/231252078.db2.gz RQSRUWHXLUHTHK-HXUWFJFHSA-N 1 1 377.504 3.392 50 0 GGAAMO Cc1nnc(-c2ccc(-c3ccc(C(=O)N(C)[C@H]4CC[N@@H+](C)C4)cc3)cc2)o1 ZINC000426693704 231253219 /nfs/dbraw/zinc/25/32/19/231253219.db2.gz JKMPIMMTMXPSFE-FQEVSTJZSA-N 1 1 376.460 3.488 50 0 GGAAMO CCc1ccc(CN2CCc3c(C(=O)N4CC[N@H+](C)[C@H](C)C4)csc3C2)nc1 ZINC000426428262 529643601 /nfs/dbraw/zinc/64/36/01/529643601.db2.gz JCFAETQBPRAKGO-MRXNPFEDSA-N 1 1 398.576 3.040 50 0 GGAAMO CCc1ccc(CN2CCc3c(C(=O)N4CC[N@@H+](C)[C@H](C)C4)csc3C2)nc1 ZINC000426428262 529643605 /nfs/dbraw/zinc/64/36/05/529643605.db2.gz JCFAETQBPRAKGO-MRXNPFEDSA-N 1 1 398.576 3.040 50 0 GGAAMO C[N@@H+](CCCNC(=O)N1Cc2cnc(-c3ccccc3)nc2C1)C1CCCC1 ZINC000426595100 529889977 /nfs/dbraw/zinc/88/99/77/529889977.db2.gz WAMJVJKCHCEISL-UHFFFAOYSA-N 1 1 379.508 3.433 50 0 GGAAMO CN(C[C@H]1CCC[N@H+]2CCCC[C@@H]12)C(=O)c1[nH]nc2c1COc1ccccc1-2 ZINC000409415154 529966742 /nfs/dbraw/zinc/96/67/42/529966742.db2.gz VJPYQZQXTDYNTI-QAPCUYQASA-N 1 1 380.492 3.306 50 0 GGAAMO CN(C[C@H]1CCC[N@@H+]2CCCC[C@@H]12)C(=O)c1n[nH]c2c1COc1ccccc1-2 ZINC000409415154 529966743 /nfs/dbraw/zinc/96/67/43/529966743.db2.gz VJPYQZQXTDYNTI-QAPCUYQASA-N 1 1 380.492 3.306 50 0 GGAAMO CN(C[C@H]1CCC[N@H+]2CCCC[C@@H]12)C(=O)c1n[nH]c2c1COc1ccccc1-2 ZINC000409415154 529966744 /nfs/dbraw/zinc/96/67/44/529966744.db2.gz VJPYQZQXTDYNTI-QAPCUYQASA-N 1 1 380.492 3.306 50 0 GGAAMO O=C([C@H]1CCC[N@H+](C2CCN(c3nc4ccccc4o3)CC2)C1)N1CCCC1 ZINC000011873876 206226107 /nfs/dbraw/zinc/22/61/07/206226107.db2.gz QLCCMDYIWZBANX-KRWDZBQOSA-N 1 1 382.508 3.131 50 0 GGAAMO COc1ccc(OC)c(-c2cc(C(=O)NC[C@H]3CCC[N@H+]4CCCC[C@H]34)[nH]n2)c1 ZINC000334160638 206254241 /nfs/dbraw/zinc/25/42/41/206254241.db2.gz JEDHFMAFNADSEX-FOIQADDNSA-N 1 1 398.507 3.088 50 0 GGAAMO CCOC(=O)C1C(C[N@H+]2CCCC[C@H]2C)=NC(=O)N[C@H]1c1cc(C)ccc1C ZINC000245238673 206282085 /nfs/dbraw/zinc/28/20/85/206282085.db2.gz YHOMBZDWEQPAKY-UZLBHIALSA-N 1 1 385.508 3.349 50 0 GGAAMO CC[C@H]1[C@H]2OC(=O)[C@@H](C)[C@H]2[C@H]2C[C@@H]([C@@H]3C[C@H](C)C(=O)O3)[N@H+]3CCCC[C@@H]1[C@H]23 ZINC000245204766 206281353 /nfs/dbraw/zinc/28/13/53/206281353.db2.gz GYOGHROCTSEKDY-POPISBIWSA-N 1 1 375.509 3.015 50 0 biogenic GGAAMO COc1ccc(-c2cc3ccc(OCC[NH+]4CCN(C)CC4)cc3oc2=O)cc1 ZINC000020573417 206296709 /nfs/dbraw/zinc/29/67/09/206296709.db2.gz VKPMCGOZZOIYLI-UHFFFAOYSA-N 1 1 394.471 3.095 50 0 GGAAMO Cc1cc(C)c2c(C[N@H+]3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)cc(=O)oc2c1 ZINC000023127126 206299036 /nfs/dbraw/zinc/29/90/36/206299036.db2.gz VEZJGYLSHJNESB-SJORKVTESA-N 1 1 376.456 3.191 50 0 biogenic GGAAMO O=C(C[NH+]1CCC(C(=O)Nc2ccc(F)c(F)c2)CC1)Nc1ccc(F)cc1 ZINC000009068125 206306705 /nfs/dbraw/zinc/30/67/05/206306705.db2.gz OICIBBWEAWSJIC-UHFFFAOYSA-N 1 1 391.393 3.393 50 0 GGAAMO Cc1ccc(-n2cc(C(=O)c3ccc(N4CC[NH+](C)CC4)cc3)nn2)cc1Cl ZINC000001392899 206377684 /nfs/dbraw/zinc/37/76/84/206377684.db2.gz RLUJURYWYUECMW-UHFFFAOYSA-N 1 1 395.894 3.212 50 0 GGAAMO C[NH+](C)[C@H](CNS(=O)(=O)c1ccc2c(c1)CCCC2)c1ccc(F)cc1 ZINC000010335376 206384542 /nfs/dbraw/zinc/38/45/42/206384542.db2.gz DJDSBTHCWAXNBJ-HXUWFJFHSA-N 1 1 376.497 3.286 50 0 GGAAMO CCCCC(=O)NC(=S)Nc1ccc(N2CC[NH+](CC)CC2)c(Cl)c1 ZINC000001841887 206393083 /nfs/dbraw/zinc/39/30/83/206393083.db2.gz RGADOZVPGITDBR-UHFFFAOYSA-N 1 1 382.961 3.485 50 0 GGAAMO CC(C)C[C@H](NC(=O)[C@@H]1Cc2ccccc2C[NH2+]1)C(=O)N[C@@H](C)c1ccccc1 ZINC000035485117 206700207 /nfs/dbraw/zinc/70/02/07/206700207.db2.gz QCGAHBJAJFJKIV-HSQYWUDLSA-N 1 1 393.531 3.109 50 0 biogenic GGAAMO CC(=O)c1cc(C[NH+]2CCC(CCC(=O)NC[C@@H]3CCCO3)CC2)cs1 ZINC000011947870 206844862 /nfs/dbraw/zinc/84/48/62/206844862.db2.gz GSAMCJWHANLSNH-SFHVURJKSA-N 1 1 378.538 3.238 50 0 GGAAMO O=C(NCc1cccnc1)C1CCN(C2CC[NH+](C[C@H]3CC=CCC3)CC2)CC1 ZINC000012430284 206895662 /nfs/dbraw/zinc/89/56/62/206895662.db2.gz GFKOLNSWUVORLP-FQEVSTJZSA-N 1 1 396.579 3.231 50 0 GGAAMO COc1cc(CO[C@@H]2CN(C(C)C)C(=O)C[N@H+](C3CCCC3)C2)cc(OC)c1 ZINC000014538725 207022906 /nfs/dbraw/zinc/02/29/06/207022906.db2.gz YZXVIMWZSQEGMO-NRFANRHFSA-N 1 1 390.524 3.084 50 0 GGAAMO CO[C@H]1CN(Cc2cccnc2)C(=O)C[N@H+](Cc2ccccc2-c2ccco2)C1 ZINC000014534372 207022942 /nfs/dbraw/zinc/02/29/42/207022942.db2.gz OIDXIVSKLMCQSZ-HXUWFJFHSA-N 1 1 391.471 3.201 50 0 GGAAMO CO[C@H]1CN(Cc2cccnc2)C(=O)C[N@@H+](Cc2ccccc2-c2ccco2)C1 ZINC000014534372 207022946 /nfs/dbraw/zinc/02/29/46/207022946.db2.gz OIDXIVSKLMCQSZ-HXUWFJFHSA-N 1 1 391.471 3.201 50 0 GGAAMO Cn1nc(C(=O)N2CCCCCC2)c2c1CC[C@H]([N@@H+](C)Cc1cccs1)C2 ZINC000014744482 207027252 /nfs/dbraw/zinc/02/72/52/207027252.db2.gz FKOSOHIMDVYQSS-INIZCTEOSA-N 1 1 386.565 3.487 50 0 GGAAMO CC(C)[N@@H+]1CCc2c(c(C(=O)NCc3nccs3)nn2Cc2ccccc2)C1 ZINC000014744151 207027605 /nfs/dbraw/zinc/02/76/05/207027605.db2.gz NTSBALLHCRSVCM-UHFFFAOYSA-N 1 1 395.532 3.084 50 0 GGAAMO CC(C)[N@H+]1CCc2c(c(C(=O)NCc3nccs3)nn2Cc2ccccc2)C1 ZINC000014744151 207027608 /nfs/dbraw/zinc/02/76/08/207027608.db2.gz NTSBALLHCRSVCM-UHFFFAOYSA-N 1 1 395.532 3.084 50 0 GGAAMO Cc1cc(C[N@H+](C)[C@@H]2CCc3c(c(C(=O)N4CCCC4)nn3CC(C)C)C2)on1 ZINC000014747280 207029124 /nfs/dbraw/zinc/02/91/24/207029124.db2.gz MJEGRINONSRQOQ-QGZVFWFLSA-N 1 1 399.539 3.061 50 0 GGAAMO Cn1nc(C(=O)NCc2ccccc2)c2c1CC[N@@H+](CCCc1ccccc1)C2 ZINC000014540013 207024091 /nfs/dbraw/zinc/02/40/91/207024091.db2.gz UVQMYKIPRRDEOB-UHFFFAOYSA-N 1 1 388.515 3.341 50 0 GGAAMO Cn1c(SCC[NH+]2CCCCC2)nnc1C1CCN(Cc2ccoc2)CC1 ZINC000014950913 207033115 /nfs/dbraw/zinc/03/31/15/207033115.db2.gz GUXRZRGOEJAXLV-UHFFFAOYSA-N 1 1 389.569 3.366 50 0 GGAAMO CCCN1CCC([NH+]2CCC(n3nccc3NC(=O)C(C)(C)C)CC2)CC1 ZINC000014950369 207033443 /nfs/dbraw/zinc/03/34/43/207033443.db2.gz VFYFEWNSLIXRAJ-UHFFFAOYSA-N 1 1 375.561 3.379 50 0 GGAAMO CCC[NH+]1CCC(N2CCC(n3nccc3NC(=O)C(C)(C)C)CC2)CC1 ZINC000014950369 207033446 /nfs/dbraw/zinc/03/34/46/207033446.db2.gz VFYFEWNSLIXRAJ-UHFFFAOYSA-N 1 1 375.561 3.379 50 0 GGAAMO COc1ccc(-c2noc(C[N@H+](C)CC[C@@H]3CCCCO3)n2)c(OC)c1OC ZINC000014964502 207034902 /nfs/dbraw/zinc/03/49/02/207034902.db2.gz YAGPEFGHLJDMTM-AWEZNQCLSA-N 1 1 391.468 3.153 50 0 GGAAMO COc1ccc(-c2noc(C[N@@H+](C)CC[C@@H]3CCCCO3)n2)c(OC)c1OC ZINC000014964502 207034906 /nfs/dbraw/zinc/03/49/06/207034906.db2.gz YAGPEFGHLJDMTM-AWEZNQCLSA-N 1 1 391.468 3.153 50 0 GGAAMO O=C(CC[C@H]1CCC[N@H+](Cc2ccccc2OC(F)F)C1)N1CCOCC1 ZINC000014969558 207034964 /nfs/dbraw/zinc/03/49/64/207034964.db2.gz GIPSBSRYXKTEIY-MRXNPFEDSA-N 1 1 382.451 3.139 50 0 GGAAMO COc1ccccc1OCC(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2C)C1 ZINC000014964175 207035362 /nfs/dbraw/zinc/03/53/62/207035362.db2.gz HFPLCSQVYPXDEF-IBGZPJMESA-N 1 1 382.504 3.411 50 0 GGAAMO CCN(CC)C(=O)c1cn([C@H]2CCC[N@@H+](Cc3cc(C)c(OC)cc3C)C2)nn1 ZINC000014959205 207035374 /nfs/dbraw/zinc/03/53/74/207035374.db2.gz LDRLJKXJUJHREF-IBGZPJMESA-N 1 1 399.539 3.223 50 0 GGAAMO O=C(NCc1ccccc1)[C@@H]1CCC[N@H+](C2CCN(C(=O)C3CCCC3)CC2)C1 ZINC000014962650 207035491 /nfs/dbraw/zinc/03/54/91/207035491.db2.gz NGHDKLYSESGYFX-OAQYLSRUSA-N 1 1 397.563 3.196 50 0 GGAAMO C[C@@H](COc1ccccc1)N1CCOc2ccc(C[NH+]3CCC(O)CC3)cc2C1 ZINC000014997639 207040809 /nfs/dbraw/zinc/04/08/09/207040809.db2.gz RQARAWSOBRPRLV-IBGZPJMESA-N 1 1 396.531 3.305 50 0 GGAAMO CN(C(=O)c1ccc2c(c1)OCCO2)[C@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC000014970679 207035924 /nfs/dbraw/zinc/03/59/24/207035924.db2.gz ZTDHTQQHXMATJY-FQEVSTJZSA-N 1 1 380.488 3.237 50 0 GGAAMO COC(=O)CCC(=O)N(C)C[C@@H]1CCC[N@@H+](CCc2ccc(Cl)cc2)C1 ZINC000014979016 207036276 /nfs/dbraw/zinc/03/62/76/207036276.db2.gz SEFKOBOWVPSWNN-KRWDZBQOSA-N 1 1 380.916 3.006 50 0 GGAAMO COc1ccc(CN2C(=O)O[C@@H]3C[N@@H+](Cc4ccc(C)s4)C[C@@H]32)cc1OC ZINC000014978160 207036377 /nfs/dbraw/zinc/03/63/77/207036377.db2.gz LESNYEXXWBJSDV-QFBILLFUSA-N 1 1 388.489 3.279 50 0 GGAAMO COc1ccc(CN2C(=O)O[C@@H]3C[N@H+](Cc4ccc(C)s4)C[C@@H]32)cc1OC ZINC000014978160 207036381 /nfs/dbraw/zinc/03/63/81/207036381.db2.gz LESNYEXXWBJSDV-QFBILLFUSA-N 1 1 388.489 3.279 50 0 GGAAMO Cc1nnsc1C(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1cccc(F)c1F)C2 ZINC000014972987 207036638 /nfs/dbraw/zinc/03/66/38/207036638.db2.gz FKJHVIFNUJXQQJ-LJQANCHMSA-N 1 1 392.475 3.253 50 0 GGAAMO Cc1nnsc1C(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1cccc(F)c1F)C2 ZINC000014972987 207036642 /nfs/dbraw/zinc/03/66/42/207036642.db2.gz FKJHVIFNUJXQQJ-LJQANCHMSA-N 1 1 392.475 3.253 50 0 GGAAMO Cc1ccsc1C[N@@H+]1CCCC[C@H]1CCn1cc(C(=O)NC(C)C)nn1 ZINC000014986649 207038693 /nfs/dbraw/zinc/03/86/93/207038693.db2.gz DKPKUMXJCBLXLA-INIZCTEOSA-N 1 1 375.542 3.231 50 0 GGAAMO CCN(CC)C(=O)c1cn([C@H]2CCC[N@@H+](Cc3ccc4cccnc4c3)C2)nn1 ZINC000015003493 207040487 /nfs/dbraw/zinc/04/04/87/207040487.db2.gz KYJBGJPAAUYXQF-IBGZPJMESA-N 1 1 392.507 3.145 50 0 GGAAMO CC1(C)Cc2nc(N3CCOCC3)ncc2[C@H]([NH2+]Cc2cccc(F)c2F)C1 ZINC000015075244 207045796 /nfs/dbraw/zinc/04/57/96/207045796.db2.gz ZFALIGSUQHSCMA-QGZVFWFLSA-N 1 1 388.462 3.395 50 0 GGAAMO Cc1cccc(N2CCC([N@H+]3CCC[C@@H](CCC(=O)N4CCOCC4)C3)CC2)c1 ZINC000015076918 207046992 /nfs/dbraw/zinc/04/69/92/207046992.db2.gz WETQFOXHPHRTDX-NRFANRHFSA-N 1 1 399.579 3.315 50 0 GGAAMO Cc1cc(C)c(C(=O)N2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2F)C3)c(=O)[nH]1 ZINC000015065629 207042108 /nfs/dbraw/zinc/04/21/08/207042108.db2.gz BUQUHMKVNFMACB-HSZRJFAPSA-N 1 1 397.494 3.259 50 0 GGAAMO Cc1nn(C)c(C)c1CCC(=O)N[C@@H]1CCC[N@@H+](CCCc2ccccc2)C1 ZINC000015067562 207042284 /nfs/dbraw/zinc/04/22/84/207042284.db2.gz FDCXQQJKDKLVBG-OAQYLSRUSA-N 1 1 382.552 3.183 50 0 GGAAMO COCc1ccc(C[N@H+]2CCC[C@@H](C(=O)Nc3cccc(-n4cccn4)c3)C2)o1 ZINC000015067620 207042566 /nfs/dbraw/zinc/04/25/66/207042566.db2.gz NBKIHIPCUAFMSP-QGZVFWFLSA-N 1 1 394.475 3.462 50 0 GGAAMO Cc1ccccc1N1CCN(c2ncccc2C[NH2+]Cc2ccc(CO)o2)CC1 ZINC000015064522 207042746 /nfs/dbraw/zinc/04/27/46/207042746.db2.gz AJUWJYSNKMRLRX-UHFFFAOYSA-N 1 1 392.503 3.092 50 0 GGAAMO Cc1cccc(C(=O)N2CCC[C@@H]([NH+]3CCN(c4cccc(Cl)c4)CC3)C2)n1 ZINC000015073001 207043957 /nfs/dbraw/zinc/04/39/57/207043957.db2.gz 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CC(C)N1CCC[N@H+](C2CCN(c3cccc(N4CCCC4=O)c3)CC2)CC1 ZINC000063833351 136156525 /nfs/dbraw/zinc/15/65/25/136156525.db2.gz MNXADCGOGPRUNS-UHFFFAOYSA-N 1 1 384.568 3.198 50 0 GGAAMO CC(C)[N@@H+]1CCCN(C2CCN(c3cccc(N4CCCC4=O)c3)CC2)CC1 ZINC000063833351 136156526 /nfs/dbraw/zinc/15/65/26/136156526.db2.gz MNXADCGOGPRUNS-UHFFFAOYSA-N 1 1 384.568 3.198 50 0 GGAAMO CC(C)[N@H+]1CCCN(C2CCN(c3cccc(N4CCCC4=O)c3)CC2)CC1 ZINC000063833351 136156527 /nfs/dbraw/zinc/15/65/27/136156527.db2.gz MNXADCGOGPRUNS-UHFFFAOYSA-N 1 1 384.568 3.198 50 0 GGAAMO COc1ccc([C@@H](O)C[NH+]2CCN(c3cccc(Cl)c3)CC2)cc1OC ZINC000065255235 136161718 /nfs/dbraw/zinc/16/17/18/136161718.db2.gz RWHDPWHPPMIWFV-SFHVURJKSA-N 1 1 376.884 3.213 50 0 GGAAMO O=C(CC[NH2+]Cc1csc(-c2ncccn2)n1)N1CCCc2ccccc21 ZINC000065381605 136163621 /nfs/dbraw/zinc/16/36/21/136163621.db2.gz PTGSCLWALLUFOO-UHFFFAOYSA-N 1 1 379.489 3.059 50 0 GGAAMO O=C([C@H]1CCC[N@H+](C2CCN(c3ccc(Cl)cn3)CC2)C1)N1CCCC1 ZINC000071774812 136166730 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COc1cccc2ccc(N3CC[N@@H+](Cc4ccc(F)cc4)[C@H](CCO)C3)nc21 ZINC000072481486 136171442 /nfs/dbraw/zinc/17/14/42/136171442.db2.gz WOLGQJKAXXUTAJ-HXUWFJFHSA-N 1 1 395.478 3.456 50 0 GGAAMO O=C(CCC1CCCCC1)N1CCN(c2cc[nH+]c(N3CCCCC3)n2)CC1 ZINC000077139401 136171738 /nfs/dbraw/zinc/17/17/38/136171738.db2.gz FPZFQEKXOLKTSH-UHFFFAOYSA-N 1 1 385.556 3.476 50 0 GGAAMO CCCc1cncnc1N1CCC(c2nnc(C[NH+]3CCCC3)n2CC)CC1 ZINC000082108445 136173676 /nfs/dbraw/zinc/17/36/76/136173676.db2.gz QZAGNZGVSRHWMB-UHFFFAOYSA-N 1 1 383.544 3.020 50 0 GGAAMO CCc1ccc(NC(=O)N2CCN(c3cc[nH+]c(N4CCCCC4)n3)CC2)cc1 ZINC000082230437 136174579 /nfs/dbraw/zinc/17/45/79/136174579.db2.gz VCASYMWJQCPJSM-UHFFFAOYSA-N 1 1 394.523 3.383 50 0 GGAAMO CCCc1cc(N2CCC3(CCC(=O)N(C[C@H]4CCCO4)C3)CC2)nc(C)[nH+]1 ZINC000091452189 136176500 /nfs/dbraw/zinc/17/65/00/136176500.db2.gz VVHMAZINQWIXOP-LJQANCHMSA-N 1 1 386.540 3.126 50 0 GGAAMO CNC(=O)c1ccnc(N2CCC3(CC2)C[C@H](c2ccccc2)C[N@@H+](C)C3)c1 ZINC000091562719 136176683 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CC(=O)c1cc(CC(=O)NCC2([NH+]3CCOCC3)CCCCCC2)cs1 ZINC000216312822 570298573 /nfs/dbraw/zinc/29/85/73/570298573.db2.gz TWSWRTCHGRDOKL-UHFFFAOYSA-N 1 1 378.538 3.035 50 0 GGAAMO Cc1ccc(C(N)=O)c(N2CCC[N@@H+](Cc3ccc(F)cc3)[C@@H](C(C)C)C2)n1 ZINC000106974654 570307867 /nfs/dbraw/zinc/30/78/67/570307867.db2.gz QVLVLGOHZFJVME-HXUWFJFHSA-N 1 1 384.499 3.365 50 0 GGAAMO CN(Cc1cccc2ccccc21)C(=O)C[C@H]1C(=O)NCC[N@H+]1CC(C)(C)C ZINC000012432051 570325552 /nfs/dbraw/zinc/32/55/52/570325552.db2.gz DFXBQOXWZQTYFD-FQEVSTJZSA-N 1 1 381.520 3.035 50 0 GGAAMO CN(Cc1cccc2ccccc21)C(=O)C[C@H]1C(=O)NCC[N@@H+]1CC(C)(C)C ZINC000012432051 570325555 /nfs/dbraw/zinc/32/55/55/570325555.db2.gz DFXBQOXWZQTYFD-FQEVSTJZSA-N 1 1 381.520 3.035 50 0 GGAAMO Cc1ccc(-n2cc(C[NH+]3CCN(CCO)CC3)c(-c3cccc(C)c3)n2)cc1 ZINC000022893369 570333135 /nfs/dbraw/zinc/33/31/35/570333135.db2.gz QVYIYOHUOPEPAW-UHFFFAOYSA-N 1 1 390.531 3.266 50 0 GGAAMO CCc1ccc(NC(=O)[C@H](NC(=O)[C@@H]2Cc3ccccc3C[NH2+]2)C(C)C)cc1 ZINC000035374870 570345480 /nfs/dbraw/zinc/34/54/80/570345480.db2.gz IEZGVGGMPPAGLG-LEWJYISDSA-N 1 1 379.504 3.043 50 0 GGAAMO Oc1ccccc1N1CC[NH+](C[C@@H](O)COc2cccc3ccccc32)CC1 ZINC000023387005 570360163 /nfs/dbraw/zinc/36/01/63/570360163.db2.gz SRBVIBLTYWRHJQ-LJQANCHMSA-N 1 1 378.472 3.107 50 0 GGAAMO O=S(=O)(c1cccc2cccnc21)N1CCC[N@@H+](CCc2ccccc2)CC1 ZINC000004324541 570367868 /nfs/dbraw/zinc/36/78/68/570367868.db2.gz IGRNESHZQFKXFU-UHFFFAOYSA-N 1 1 395.528 3.174 50 0 GGAAMO Cc1sc2ncnc(N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)c2c1C ZINC000004476225 570376761 /nfs/dbraw/zinc/37/67/61/570376761.db2.gz YJACWVZIKSUCIZ-UHFFFAOYSA-N 1 1 382.489 3.359 50 0 GGAAMO Cc1ccc(Cl)cc1S(=O)(=O)NC[C@@H](c1ccc2c(c1)CCO2)[NH+](C)C ZINC000090607254 570383217 /nfs/dbraw/zinc/38/32/17/570383217.db2.gz HIEFWVHJMHZINO-KRWDZBQOSA-N 1 1 394.924 3.165 50 0 GGAAMO CN(Cc1cc(-c2ccncc2)no1)C(=O)C[N@H+]1CC[C@@H](c2ccccc2)C1 ZINC000221406348 570394790 /nfs/dbraw/zinc/39/47/90/570394790.db2.gz PAHUIQKHTGKEKL-LJQANCHMSA-N 1 1 376.460 3.185 50 0 GGAAMO COc1ccc(C[N@H+]2CCC[C@@H](C(=O)N3CCCCCC3)C2)c(OC)c1OC ZINC000004745186 570401661 /nfs/dbraw/zinc/40/16/61/570401661.db2.gz ICLJWEUKNWPSAO-GOSISDBHSA-N 1 1 390.524 3.327 50 0 GGAAMO COc1ccc(N2C(=O)C[C@@H]([NH+]3CCC(c4ccc(F)cc4)CC3)C2=O)cc1 ZINC000004784451 570405694 /nfs/dbraw/zinc/40/56/94/570405694.db2.gz YZFQOPUZIAAIPI-HXUWFJFHSA-N 1 1 382.435 3.346 50 0 GGAAMO CN(Cc1cnc2ccccc2c1)C(=O)[C@H](c1ccc2c(c1)OCO2)[NH+](C)C ZINC000222660539 570419308 /nfs/dbraw/zinc/41/93/08/570419308.db2.gz MCTXZCICESXWBU-NRFANRHFSA-N 1 1 377.444 3.225 50 0 GGAAMO COCCCN(C[C@@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)Cc1ccc(OC)cc1 ZINC000524730127 570420598 /nfs/dbraw/zinc/42/05/98/570420598.db2.gz WTNPVRFIJAZJAH-RBBKRZOGSA-N 1 1 388.552 3.367 50 0 biogenic GGAAMO CN1CC[N@@H+](C[C@H]2C[C@H]3C=C[C@@H]2C3)CC12CCN(C(=O)c1ccccc1)CC2 ZINC000244742130 570433624 /nfs/dbraw/zinc/43/36/24/570433624.db2.gz OCHNKPSSUNNCRF-KSEOMHKRSA-N 1 1 379.548 3.121 50 0 GGAAMO C[N@@H+](Cc1ccccc1)C1(C(=O)N[C@H]2CC[C@H](O)CC2)Cc2ccccc2C1 ZINC000248075689 570440929 /nfs/dbraw/zinc/44/09/29/570440929.db2.gz UDKXOXQMRCNSBO-HZCBDIJESA-N 1 1 378.516 3.076 50 0 GGAAMO O=C(C[C@@H]1C(=O)NCC[N@H+]1C1CCCC1)NC(c1ccccc1)c1ccccc1 ZINC000011873885 570442235 /nfs/dbraw/zinc/44/22/35/570442235.db2.gz WOEYXWIFUKFBPH-OAQYLSRUSA-N 1 1 391.515 3.025 50 0 GGAAMO CC(C)c1ccc(NC(=O)C(=O)NC[C@@H](c2cccn2C)[NH+]2CCCC2)cc1 ZINC000011898346 570444283 /nfs/dbraw/zinc/44/42/83/570444283.db2.gz PQVNQZUAOCINPR-FQEVSTJZSA-N 1 1 382.508 3.040 50 0 GGAAMO Cn1cccc1[C@@H](CNS(=O)(=O)c1ccc(F)cc1)[NH+]1CCCCCC1 ZINC000011897711 570444440 /nfs/dbraw/zinc/44/44/40/570444440.db2.gz KVNVSKDDYCANFB-LJQANCHMSA-N 1 1 379.501 3.060 50 0 GGAAMO CN(Cc1n[nH]c2c1CCCCC2)C(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000584885187 570471482 /nfs/dbraw/zinc/47/14/82/570471482.db2.gz JQJLMPKSHZLNMI-KRWDZBQOSA-N 1 1 375.542 3.184 50 0 GGAAMO Cc1cnccc1CN(C)C(=O)NC[C@@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC000426623226 570502017 /nfs/dbraw/zinc/50/20/17/570502017.db2.gz NEYRYALJYXSAHE-NRFANRHFSA-N 1 1 380.536 3.486 50 0 GGAAMO Cc1cccc(C(=O)Nc2ccc(-c3ccc(N4CC[NH+](C)CC4)nn3)cc2)c1 ZINC000005259438 570528284 /nfs/dbraw/zinc/52/82/84/570528284.db2.gz MBWNMUOOEDITCC-UHFFFAOYSA-N 1 1 387.487 3.456 50 0 GGAAMO Cc1c2ccccc2n(Cc2ccccc2)c1NC(=O)CN1CC[NH+](C)CC1 ZINC000022205431 570538290 /nfs/dbraw/zinc/53/82/90/570538290.db2.gz ODEZGOAPHRUCRO-UHFFFAOYSA-N 1 1 376.504 3.184 50 0 GGAAMO COC(=O)C1=C(C)[NH+]=C2Nc3ccccc3N2[C@H]1c1cc(OC)c(O)c(OC)c1 ZINC000008739310 570538969 /nfs/dbraw/zinc/53/89/69/570538969.db2.gz WSEZITOGAPDYPK-SFHVURJKSA-N 1 1 395.415 3.199 50 0 GGAAMO O=C(NCC[NH+]1CCN(c2ccc(F)cc2)CC1)Nc1cccc(Cl)c1 ZINC000056997859 570541407 /nfs/dbraw/zinc/54/14/07/570541407.db2.gz CKYJYZCVIXSQOK-UHFFFAOYSA-N 1 1 376.863 3.423 50 0 GGAAMO COc1cccc(C[N@@H+]2CCN(Cc3nc(C(C)C)cs3)C[C@H]2CCO)c1 ZINC000036385709 570564453 /nfs/dbraw/zinc/56/44/53/570564453.db2.gz UQALVXRZEYQBQR-GOSISDBHSA-N 1 1 389.565 3.344 50 0 GGAAMO COc1cccc(C[N@H+]2CCN(Cc3nc(C(C)C)cs3)C[C@H]2CCO)c1 ZINC000036385709 570564457 /nfs/dbraw/zinc/56/44/57/570564457.db2.gz UQALVXRZEYQBQR-GOSISDBHSA-N 1 1 389.565 3.344 50 0 GGAAMO COc1cccc2c1OCC(CN1CC[N@H+](C3CCCCC3)[C@H](CCO)C1)=C2 ZINC000036385568 570564510 /nfs/dbraw/zinc/56/45/10/570564510.db2.gz FYWODYZHEGZQKW-OAQYLSRUSA-N 1 1 386.536 3.172 50 0 GGAAMO CCN(C[C@H]1CCC[N@@H+](CCc2cccc(F)c2)C1)C(=O)c1snnc1C ZINC000011662092 570577376 /nfs/dbraw/zinc/57/73/76/570577376.db2.gz WXFSCJANBQFALX-KRWDZBQOSA-N 1 1 390.528 3.402 50 0 GGAAMO COc1ccc(/C=C/C(=O)N[C@@H]2CCC[N@H+](C3Cc4ccccc4C3)C2)cc1 ZINC000011662518 570577446 /nfs/dbraw/zinc/57/74/46/570577446.db2.gz WDZHMFBFHZMYJK-QYFOZDBKSA-N 1 1 376.500 3.456 50 0 GGAAMO Cc1cc(C(=O)NC[C@@H]2CCC[N@H+](Cc3nccn3-c3cccc(C)c3)C2)no1 ZINC000011663235 570577827 /nfs/dbraw/zinc/57/78/27/570577827.db2.gz QLTCKAUTEIDCRH-SFHVURJKSA-N 1 1 393.491 3.119 50 0 GGAAMO Cc1cc(C(=O)NC[C@@H]2CCC[N@@H+](Cc3nccn3-c3cccc(C)c3)C2)no1 ZINC000011663235 570577830 /nfs/dbraw/zinc/57/78/30/570577830.db2.gz QLTCKAUTEIDCRH-SFHVURJKSA-N 1 1 393.491 3.119 50 0 GGAAMO O=C(N[C@H]1CCC[N@H+](C2CCCCCC2)C1)c1ccc(N2CCOCC2)cc1 ZINC000011664932 570578824 /nfs/dbraw/zinc/57/88/24/570578824.db2.gz RGMDHZFSZVKOQU-FQEVSTJZSA-N 1 1 385.552 3.440 50 0 GGAAMO O=C(NCc1ccncc1)c1cc(C[NH+]2CCC(Cc3ccccc3)CC2)on1 ZINC000011668059 570579410 /nfs/dbraw/zinc/57/94/10/570579410.db2.gz DJLCOHZBVUNBRG-UHFFFAOYSA-N 1 1 390.487 3.454 50 0 GGAAMO COc1ccc(CNC(=O)CC[C@@H]2CCC[N@@H+](Cc3cccnc3)C2)c(OC)c1 ZINC000011667872 570579561 /nfs/dbraw/zinc/57/95/61/570579561.db2.gz BZVRUCFAYXHIIZ-SFHVURJKSA-N 1 1 397.519 3.407 50 0 GGAAMO CC(C)CNC(=O)[C@@H]1CCC[N@@H+](C2CCN(C3Cc4ccccc4C3)CC2)C1 ZINC000011753893 570581397 /nfs/dbraw/zinc/58/13/97/570581397.db2.gz SMCGLIQUNNXJEX-OAQYLSRUSA-N 1 1 383.580 3.102 50 0 GGAAMO CC(C)CNC(=O)[C@@H]1CCC[N@H+](C2CCN(C3Cc4ccccc4C3)CC2)C1 ZINC000011753893 570581402 /nfs/dbraw/zinc/58/14/02/570581402.db2.gz SMCGLIQUNNXJEX-OAQYLSRUSA-N 1 1 383.580 3.102 50 0 GGAAMO O[C@H]1CCC[N@@H+](Cc2cn(Cc3ccccc3)nc2-c2ccc3c(c2)OCO3)C1 ZINC000011762030 570581561 /nfs/dbraw/zinc/58/15/61/570581561.db2.gz AWJHXGNVMAWKTK-FQEVSTJZSA-N 1 1 391.471 3.284 50 0 GGAAMO Cc1cccc(C[NH2+]Cc2ccccc2OC[C@@H](O)CN2CCSCC2)c1 ZINC000011816525 570584493 /nfs/dbraw/zinc/58/44/93/570584493.db2.gz FWUIQWZSVJVLGZ-NRFANRHFSA-N 1 1 386.561 3.073 50 0 GGAAMO c1cncc(COC2CC[NH+](Cc3nc(-c4ccc5c(c4)OCO5)no3)CC2)c1 ZINC000011818202 570584903 /nfs/dbraw/zinc/58/49/03/570584903.db2.gz LTASOZIMMLOYLV-UHFFFAOYSA-N 1 1 394.431 3.042 50 0 GGAAMO O=C(C1CCOCC1)N1CC[C@]2(C1)CCC[N@@H+](Cc1cccc(F)c1F)C2 ZINC000011817560 570584980 /nfs/dbraw/zinc/58/49/80/570584980.db2.gz XKRFDQIDEOICNW-OAQYLSRUSA-N 1 1 378.463 3.206 50 0 GGAAMO O=C(C1CCOCC1)N1CC[C@]2(C1)CCC[N@H+](Cc1cccc(F)c1F)C2 ZINC000011817560 570584981 /nfs/dbraw/zinc/58/49/81/570584981.db2.gz XKRFDQIDEOICNW-OAQYLSRUSA-N 1 1 378.463 3.206 50 0 GGAAMO Cc1ccc(C(=O)N2CC[C@@]3(C2)CCC[N@@H+](Cc2ccc(F)cc2)C3)c(=O)[nH]1 ZINC000011818262 570584993 /nfs/dbraw/zinc/58/49/93/570584993.db2.gz XTMMWWFUPKAWFF-QFIPXVFZSA-N 1 1 383.467 3.363 50 0 GGAAMO Cc1ocnc1C(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1cccc(F)c1F)C2 ZINC000011839885 570586795 /nfs/dbraw/zinc/58/67/95/570586795.db2.gz ADZQRBVQJJIHOK-FQEVSTJZSA-N 1 1 375.419 3.390 50 0 GGAAMO Cc1ocnc1C(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1cccc(F)c1F)C2 ZINC000011839885 570586797 /nfs/dbraw/zinc/58/67/97/570586797.db2.gz ADZQRBVQJJIHOK-FQEVSTJZSA-N 1 1 375.419 3.390 50 0 GGAAMO CCOC(=O)[C@]1(Cc2cccc(OC)c2)CCC[N@@H+](Cc2cnn(CC)c2)C1 ZINC000011844503 570588238 /nfs/dbraw/zinc/58/82/38/570588238.db2.gz MOBLMIUWSGFGNN-QFIPXVFZSA-N 1 1 385.508 3.300 50 0 GGAAMO CC[C@H](C)C(=O)NCc1nnc2n1CC[N@H+](Cc1ccc3ccccc3c1)CC2 ZINC000011870325 570588905 /nfs/dbraw/zinc/58/89/05/570588905.db2.gz RVNDFRBFXRRPLY-KRWDZBQOSA-N 1 1 391.519 3.152 50 0 GGAAMO Cc1cnc(CNC(=O)C2([N@@H+](C)Cc3ccccc3)Cc3ccccc3C2)cn1 ZINC000039356474 570589561 /nfs/dbraw/zinc/58/95/61/570589561.db2.gz NKFJDXBGCBXJGJ-UHFFFAOYSA-N 1 1 386.499 3.071 50 0 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377.282 3.490 50 0 GGAAMO COc1ccccc1[C@@H](CNC(=O)c1ccccc1Br)[NH+](C)C ZINC000014514727 210117515 /nfs/dbraw/zinc/11/75/15/210117515.db2.gz NDSYVFXOVIVXTG-MRXNPFEDSA-N 1 1 377.282 3.490 50 0 GGAAMO Cc1cccc(C(=O)Nc2ccc3c(c2)nc(CC[NH+]2CCOCC2)n3C)c1 ZINC000013817339 210091782 /nfs/dbraw/zinc/09/17/82/210091782.db2.gz GWYKMDXMOROYBF-UHFFFAOYSA-N 1 1 378.476 3.009 50 0 GGAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1cc2oc3ccccc3c2cc1OC ZINC000013628993 210074672 /nfs/dbraw/zinc/07/46/72/210074672.db2.gz JJCHQAPLCJPYDR-CQSZACIVSA-N 1 1 395.459 3.134 50 0 GGAAMO COc1ccccc1CN1C[C@@H]2C[C@@H](c3cccc(O)c3)[N@H+]3CCC[C@@]23C1=O ZINC000013659393 210076394 /nfs/dbraw/zinc/07/63/94/210076394.db2.gz JUGUCTXTZJWITR-LEDOBFOHSA-N 1 1 378.472 3.339 50 0 GGAAMO Cc1ccsc1C(=O)[C@H]1CCC[N@H+](Cc2cnc(N3CCOCC3)s2)C1 ZINC000013593198 210070863 /nfs/dbraw/zinc/07/08/63/210070863.db2.gz KBELLUKDYFKGFK-HNNXBMFYSA-N 1 1 391.562 3.445 50 0 GGAAMO Cc1ccsc1C(=O)[C@H]1CCC[N@@H+](Cc2cnc(N3CCOCC3)s2)C1 ZINC000013593198 210070868 /nfs/dbraw/zinc/07/08/68/210070868.db2.gz KBELLUKDYFKGFK-HNNXBMFYSA-N 1 1 391.562 3.445 50 0 GGAAMO Cc1ccsc1C(=O)[C@@H]1CCC[N@H+](Cc2cnc(N3CCOCC3)s2)C1 ZINC000013593196 210070369 /nfs/dbraw/zinc/07/03/69/210070369.db2.gz KBELLUKDYFKGFK-OAHLLOKOSA-N 1 1 391.562 3.445 50 0 GGAAMO Cc1ccsc1C(=O)[C@@H]1CCC[N@@H+](Cc2cnc(N3CCOCC3)s2)C1 ZINC000013593196 210070372 /nfs/dbraw/zinc/07/03/72/210070372.db2.gz KBELLUKDYFKGFK-OAHLLOKOSA-N 1 1 391.562 3.445 50 0 GGAAMO Cc1cccn2c(C[N@H+](C)C[C@@H]3CCCCO3)c(C(=O)N3CCCCC3)nc12 ZINC000013594251 210070304 /nfs/dbraw/zinc/07/03/04/210070304.db2.gz WSYSHBTVIAJHNR-SFHVURJKSA-N 1 1 384.524 3.270 50 0 GGAAMO Cc1cccn2c(C[N@@H+](C)C[C@@H]3CCCCO3)c(C(=O)N3CCCCC3)nc12 ZINC000013594251 210070307 /nfs/dbraw/zinc/07/03/07/210070307.db2.gz WSYSHBTVIAJHNR-SFHVURJKSA-N 1 1 384.524 3.270 50 0 GGAAMO CN(CC1CC[NH+](CCc2ccc(F)cc2)CC1)C(=O)[C@H]1CCCCN1C ZINC000012836608 210017081 /nfs/dbraw/zinc/01/70/81/210017081.db2.gz WEPQMVHOJBQJQP-OAQYLSRUSA-N 1 1 375.532 3.023 50 0 GGAAMO COc1ccc2c(c1)C=C(C[N@H+]1CCC[C@@H](CNC(=O)c3cccnc3)C1)CO2 ZINC000012754425 210001370 /nfs/dbraw/zinc/00/13/70/210001370.db2.gz HFFOMUDSMKPPTH-KRWDZBQOSA-N 1 1 393.487 3.008 50 0 GGAAMO COC(=O)c1cccc(C(=O)N[C@H]2CCC[N@@H+](CCCc3ccccc3)C2)c1 ZINC000012756109 210003608 /nfs/dbraw/zinc/00/36/08/210003608.db2.gz YBGRPHQBLXLHDN-NRFANRHFSA-N 1 1 380.488 3.300 50 0 GGAAMO COc1cc(C(=O)N[C@@H]2CCC[N@@H+](CCc3ccccc3)C2)cc(OC)c1OC ZINC000012754068 210000415 /nfs/dbraw/zinc/00/04/15/210000415.db2.gz GLLQEXYQRDMBPU-LJQANCHMSA-N 1 1 398.503 3.149 50 0 GGAAMO Cc1ccccc1CC[N@@H+]1CCC[C@@H](CN(C)C(=O)CCc2cnccn2)C1 ZINC000012704554 209991108 /nfs/dbraw/zinc/99/11/08/209991108.db2.gz GHOXHYLFUBRPAV-FQEVSTJZSA-N 1 1 380.536 3.131 50 0 GGAAMO COc1ccccc1CC[N@H+]1CCC[C@H](CN(C)C(=O)c2cc(C)nc(C)n2)C1 ZINC000012586944 209981306 /nfs/dbraw/zinc/98/13/06/209981306.db2.gz KMDNKJWTPPHQGR-LJQANCHMSA-N 1 1 396.535 3.129 50 0 GGAAMO COCCN(C[C@H]1CCC[N@H+](C2Cc3ccccc3C2)C1)C(=O)c1ccncc1 ZINC000012430553 209952106 /nfs/dbraw/zinc/95/21/06/209952106.db2.gz SPDOCJWNDTZURX-IBGZPJMESA-N 1 1 393.531 3.050 50 0 GGAAMO O=C(CCc1cnccn1)N1CC[C@]2(C1)CCC[N@@H+](CCCc1ccccc1)C2 ZINC000012385230 209947609 /nfs/dbraw/zinc/94/76/09/209947609.db2.gz OOHPFBCEXZYRKA-XMMPIXPASA-N 1 1 392.547 3.357 50 0 GGAAMO S=C(Nc1cnn(Cc2ccc(Cl)cc2)c1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000002805472 209388815 /nfs/dbraw/zinc/38/88/15/209388815.db2.gz XWYIVCPSIZABQS-QGZVFWFLSA-N 1 1 375.929 3.062 50 0 GGAAMO CCn1cc(-c2cc(C(=O)NC3C[C@H]4CC[C@@H](C3)[N@@H+]4C)c3ccccc3n2)cn1 ZINC000002804900 209388562 /nfs/dbraw/zinc/38/85/62/209388562.db2.gz OCMYGHXHVUJWRH-AYHJJNSGSA-N 1 1 389.503 3.473 50 0 GGAAMO Cc1nn(Cc2ccccc2C)c(C)c1NC(=S)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000002803205 209386077 /nfs/dbraw/zinc/38/60/77/209386077.db2.gz ZCJCEKHGNDEKGZ-LJQANCHMSA-N 1 1 383.565 3.333 50 0 GGAAMO O=C(CCN1C(=O)c2ccccc2C1=O)Nc1c2c([nH+]c3c1CCCC3)CCC2 ZINC000000885824 209276574 /nfs/dbraw/zinc/27/65/74/209276574.db2.gz SHJNIDMJTIPJAL-UHFFFAOYSA-N 1 1 389.455 3.074 50 0 GGAAMO Cc1ccc(NC(=O)C[NH+]2CCC(C(=O)NCc3cccs3)CC2)c(C)c1 ZINC000009071502 209248573 /nfs/dbraw/zinc/24/85/73/209248573.db2.gz LGMVNSAXROPBFA-UHFFFAOYSA-N 1 1 385.533 3.332 50 0 GGAAMO O=c1cc(CN2CC[NH+](C/C=C/c3ccccc3)CC2)c2cc(O)ccc2o1 ZINC000020503680 209235189 /nfs/dbraw/zinc/23/51/89/209235189.db2.gz ZZRKUYUTTGDFAH-QPJJXVBHSA-N 1 1 376.456 3.330 50 0 biogenic GGAAMO COc1cc(Br)c(C[NH2+]Cc2ccc3c(c2)OCO3)cc1OC ZINC000005005744 209231844 /nfs/dbraw/zinc/23/18/44/209231844.db2.gz SORLVLVLDYYASG-UHFFFAOYSA-N 1 1 380.238 3.485 50 0 GGAAMO O=C(c1n[nH]c2c1CCCC2)N1CCCC2=C[C@H]3C[C@H](C[N@H+]4CCCC[C@H]34)[C@H]21 ZINC000257198552 209224677 /nfs/dbraw/zinc/22/46/77/209224677.db2.gz CGANOTBXBPNKDF-CIBWYJFOSA-N 1 1 380.536 3.324 50 0 GGAAMO O=C(c1n[nH]c2c1CCCC2)N1CCCC2=C[C@H]3C[C@H](C[N@H+]4CCCC[C@H]34)[C@@H]21 ZINC000257198554 209224340 /nfs/dbraw/zinc/22/43/40/209224340.db2.gz CGANOTBXBPNKDF-VTAPXXACSA-N 1 1 380.536 3.324 50 0 biogenic GGAAMO COc1ccccc1N1CC[NH+](Cc2cc(=O)oc3c(C)c(O)ccc23)CC1 ZINC000054307005 209213647 /nfs/dbraw/zinc/21/36/47/209213647.db2.gz CWABHWAZXGPIEL-UHFFFAOYSA-N 1 1 380.444 3.138 50 0 GGAAMO CC1=NN(c2ccccc2)C(=O)[C@]12Cc1ccc(Cl)cc1N1CC[N@H+](C)C[C@@H]12 ZINC000036056317 209182426 /nfs/dbraw/zinc/18/24/26/209182426.db2.gz HILOINODNGRDPM-IFMALSPDSA-N 1 1 394.906 3.426 50 0 GGAAMO COc1cc2[nH+]c(N3CCN(c4cc(C)ccc4C)CC3)nc(N)c2cc1OC ZINC000006792287 212069623 /nfs/dbraw/zinc/06/96/23/212069623.db2.gz CTAKQSAYUGSBDA-UHFFFAOYSA-N 1 1 393.491 3.173 50 0 GGAAMO O[C@@H](Cn1ccc(-c2ccc(C[N@H+]3CCC[C@H](O)C3)s2)n1)c1ccccc1 ZINC000082039602 212060436 /nfs/dbraw/zinc/06/04/36/212060436.db2.gz XEFJRKMMYYJSPW-PXNSSMCTSA-N 1 1 383.517 3.302 50 0 GGAAMO CCc1c(C(=O)N(C)Cc2ccccc2)c(=O)cc(C)n1C[C@@H]1CCC[N@@H+]1CC ZINC000299794849 212038857 /nfs/dbraw/zinc/03/88/57/212038857.db2.gz KQZXXONKNIJMGY-FQEVSTJZSA-N 1 1 395.547 3.476 50 0 GGAAMO O=C([C@H]1C[C@@H](c2ccccc2)[N@H+]2CCC[C@H]12)N(CCO)Cc1ccccc1F ZINC000299787479 212037649 /nfs/dbraw/zinc/03/76/49/212037649.db2.gz MHTUNJQYQLVVBP-NNWRFLSQSA-N 1 1 382.479 3.372 50 0 GGAAMO O=C(NC1CC1)c1cn(CC[C@@H]2CCCC[N@H+]2Cc2cc3ccccc3[nH]2)nn1 ZINC000299792325 212039824 /nfs/dbraw/zinc/03/98/24/212039824.db2.gz GWNZGOFFQAVBLN-IBGZPJMESA-N 1 1 392.507 3.096 50 0 GGAAMO CC(=O)N1CCC(c2nc([C@H]3C[C@@H](c4ccccc4)[N@H+]4CCC[C@H]34)no2)CC1 ZINC000299783932 212037413 /nfs/dbraw/zinc/03/74/13/212037413.db2.gz VPNARGKLUMBGBV-ZCNNSNEGSA-N 1 1 380.492 3.489 50 0 GGAAMO O=C(NCC[N@H+]1CCC[C@@H](c2ccccc2)C1)Nc1ccc2c(c1)CC(=O)N2 ZINC000299786241 212037165 /nfs/dbraw/zinc/03/71/65/212037165.db2.gz KHPGBASERKRHOJ-QGZVFWFLSA-N 1 1 378.476 3.182 50 0 GGAAMO O=C(Nc1ccc2n[nH]nc2c1)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000299787534 212036247 /nfs/dbraw/zinc/03/62/47/212036247.db2.gz OSUYYDNFXXHYCR-UHFFFAOYSA-N 1 1 378.480 3.130 50 0 GGAAMO O=C(Nc1ccc2[nH]nnc2c1)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000299787534 212036249 /nfs/dbraw/zinc/03/62/49/212036249.db2.gz OSUYYDNFXXHYCR-UHFFFAOYSA-N 1 1 378.480 3.130 50 0 GGAAMO O=C(Nc1ccc2[nH]nnc2c1)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000299787534 212036250 /nfs/dbraw/zinc/03/62/50/212036250.db2.gz OSUYYDNFXXHYCR-UHFFFAOYSA-N 1 1 378.480 3.130 50 0 GGAAMO CCO[C@H]1C[N@@H+](C)C[C@@H]1NC(=O)c1cccc(-c2ccc3ccccc3n2)c1 ZINC000299770991 212035704 /nfs/dbraw/zinc/03/57/04/212035704.db2.gz UCSUQDIVURIGIA-VXKWHMMOSA-N 1 1 375.472 3.351 50 0 GGAAMO CN(C[C@@H]1CCC[N@H+]2CCCC[C@@H]12)C(=O)CCCc1nc2ccccc2c(=O)[nH]1 ZINC000299754474 212031304 /nfs/dbraw/zinc/03/13/04/212031304.db2.gz VHXBWJXMFRHILJ-PXNSSMCTSA-N 1 1 396.535 3.381 50 0 biogenic GGAAMO CCc1nn(C)c(NC(=O)N2C[C@@H]3CC[C@H]2C[N@@H+](Cc2ccccc2)C3)c1C ZINC000299768550 212034039 /nfs/dbraw/zinc/03/40/39/212034039.db2.gz LCPRMJCHHMLLTR-MOPGFXCFSA-N 1 1 381.524 3.419 50 0 GGAAMO COc1ccc2nc(CCNC(=O)CCC[NH+]3Cc4ccccc4C3)[nH]c2c1 ZINC000299767706 212033817 /nfs/dbraw/zinc/03/38/17/212033817.db2.gz NEPDKWOIJLQKMX-UHFFFAOYSA-N 1 1 378.476 3.026 50 0 GGAAMO O=C(Nc1ccc(CN2CCOCC2)cc1)N1CCC[N@H+](C2CCCC2)CC1 ZINC000299760913 212032814 /nfs/dbraw/zinc/03/28/14/212032814.db2.gz PZUZSCLAAMMRDF-UHFFFAOYSA-N 1 1 386.540 3.001 50 0 GGAAMO Cc1cc(C)c(C(=O)N2CCOc3ccc(C[N@@H+]4C[C@@H](C)O[C@@H](C)C4)cc3C2)[nH]1 ZINC000299761602 212032713 /nfs/dbraw/zinc/03/27/13/212032713.db2.gz LSVCCDTYBHJXBN-HDICACEKSA-N 1 1 397.519 3.276 50 0 GGAAMO Cc1cc(C)c(C(=O)N2CCOc3ccc(C[N@H+]4C[C@@H](C)O[C@@H](C)C4)cc3C2)[nH]1 ZINC000299761602 212032718 /nfs/dbraw/zinc/03/27/18/212032718.db2.gz LSVCCDTYBHJXBN-HDICACEKSA-N 1 1 397.519 3.276 50 0 GGAAMO Cc1cc(C)n(CC(C)C)c(=O)c1C(=O)N(C)C[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000334161050 209177167 /nfs/dbraw/zinc/17/71/67/209177167.db2.gz RRPSXJLTWPAJPX-WOJBJXKFSA-N 1 1 387.568 3.458 50 0 GGAAMO Cn1cccc1[C@@H](CNC(=O)COc1ccccc1)[N@@H+]1CCc2ccccc2C1 ZINC000021151458 211741310 /nfs/dbraw/zinc/74/13/10/211741310.db2.gz PUIXMSDNTJVBAQ-HSZRJFAPSA-N 1 1 389.499 3.320 50 0 GGAAMO Cn1cccc1[C@@H](CNC(=O)COc1ccccc1)[N@H+]1CCc2ccccc2C1 ZINC000021151458 211741316 /nfs/dbraw/zinc/74/13/16/211741316.db2.gz PUIXMSDNTJVBAQ-HSZRJFAPSA-N 1 1 389.499 3.320 50 0 GGAAMO COc1ccc(S(=O)(=O)NC[C@@H](c2ccsc2)[NH+]2CCCC2)cc1C ZINC000008899748 211600657 /nfs/dbraw/zinc/60/06/57/211600657.db2.gz DVZZHBUISJJQBM-KRWDZBQOSA-N 1 1 380.535 3.181 50 0 GGAAMO COc1ccc(N2C(=O)C[C@H]([NH2+]Cc3ccc(Cl)cc3Cl)C2=O)cc1 ZINC000100968985 211395141 /nfs/dbraw/zinc/39/51/41/211395141.db2.gz LXDJUKUPKXFEOD-INIZCTEOSA-N 1 1 379.243 3.424 50 0 GGAAMO [NH3+]CC(=O)c1ccc(OC(F)(F)[C@@H](F)OC(F)(F)F)c(Br)c1 ZINC000098211097 211380557 /nfs/dbraw/zinc/38/05/57/211380557.db2.gz FCNSZGWJMIANPC-VIFPVBQESA-N 1 1 396.081 3.394 50 0 GGAAMO COCCC[N@H+]1CC[C@H](CNc2nc(C)nc3c2Cc2ccccc2OC3)C1 ZINC000097698822 211371985 /nfs/dbraw/zinc/37/19/85/211371985.db2.gz IEKSWSJTFZGIEG-QGZVFWFLSA-N 1 1 382.508 3.039 50 0 GGAAMO COCCC[N@H+]1CC[C@@H](CNc2nc(C)nc3c2Cc2ccccc2OC3)C1 ZINC000097698819 211371535 /nfs/dbraw/zinc/37/15/35/211371535.db2.gz IEKSWSJTFZGIEG-KRWDZBQOSA-N 1 1 382.508 3.039 50 0 GGAAMO CN1CC[NH+](CCCNC(=O)Nc2cccc(/C=C/c3ccccn3)c2)CC1 ZINC000097632135 211368848 /nfs/dbraw/zinc/36/88/48/211368848.db2.gz MNGYTKMYRXMBDS-MDZDMXLPSA-N 1 1 379.508 3.011 50 0 GGAAMO Cc1nn(C(C)C)c(C)c1CN1CC[N@H+](Cc2cccs2)[C@H](CCO)C1 ZINC000097402598 211365654 /nfs/dbraw/zinc/36/56/54/211365654.db2.gz QXVNPFGHGKEGON-GOSISDBHSA-N 1 1 376.570 3.211 50 0 GGAAMO Cc1nn(C(C)C)c(C)c1CN1CC[N@@H+](Cc2cccs2)[C@H](CCO)C1 ZINC000097402598 211365659 /nfs/dbraw/zinc/36/56/59/211365659.db2.gz QXVNPFGHGKEGON-GOSISDBHSA-N 1 1 376.570 3.211 50 0 GGAAMO Cn1cc(CN2CC[N@@H+](Cc3cccs3)[C@H](CCO)C2)c(-c2ccccc2)n1 ZINC000097436859 211365058 /nfs/dbraw/zinc/36/50/58/211365058.db2.gz QGIQCIPHVOETOA-HXUWFJFHSA-N 1 1 396.560 3.217 50 0 GGAAMO CC(C)CN(Cc1ccsc1)C(=O)c1ccc(CN2CC[NH+](C)CC2)o1 ZINC000097360242 211364604 /nfs/dbraw/zinc/36/46/04/211364604.db2.gz ABYPQINNQCBNFG-UHFFFAOYSA-N 1 1 375.538 3.387 50 0 GGAAMO C[N@H+](Cc1cccc(-c2nc(-c3ccncc3)cc(=O)[nH]2)c1)Cc1cnccn1 ZINC000096879132 211349678 /nfs/dbraw/zinc/34/96/78/211349678.db2.gz ATPSFCJWGCPZOR-UHFFFAOYSA-N 1 1 384.443 3.333 50 0 GGAAMO C[N@@H+](Cc1cccc(-c2nc(-c3ccncc3)cc(=O)[nH]2)c1)Cc1cnccn1 ZINC000096879132 211349681 /nfs/dbraw/zinc/34/96/81/211349681.db2.gz ATPSFCJWGCPZOR-UHFFFAOYSA-N 1 1 384.443 3.333 50 0 GGAAMO CC[C@H]1CN(C(=O)c2ccc(NCCc3cccc(C)n3)nc2)CC[N@H+]1C(C)C ZINC000096836388 211346883 /nfs/dbraw/zinc/34/68/83/211346883.db2.gz BVJRFDKYCDMPMX-NRFANRHFSA-N 1 1 395.551 3.384 50 0 GGAAMO COCC[N@H+]1CC[C@H](CNC(=O)Nc2cc(C(C)C)nn2-c2ccccc2)C1 ZINC000096166746 211316639 /nfs/dbraw/zinc/31/66/39/211316639.db2.gz HAHNMRYIUHDUCM-QGZVFWFLSA-N 1 1 385.512 3.086 50 0 GGAAMO NC(=O)c1ccc(NC(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1Cl ZINC000096180393 211315627 /nfs/dbraw/zinc/31/56/27/211315627.db2.gz PKINAECGDBYFIS-INIZCTEOSA-N 1 1 386.883 3.225 50 0 GGAAMO CN(Cc1ccc2c(c1)C[N@H+](C)C2)C(=O)Nc1cccc(N2CCOC2=O)c1 ZINC000096162967 211314640 /nfs/dbraw/zinc/31/46/40/211314640.db2.gz ISJMAOWHEOHSDV-UHFFFAOYSA-N 1 1 380.448 3.253 50 0 GGAAMO Cc1ccccc1[C@H]1CC[N@@H+](CCNC(=O)Nc2ccc3c(c2)C(=O)OC3)C1 ZINC000096163374 211313181 /nfs/dbraw/zinc/31/31/81/211313181.db2.gz HNRRRKOEGJHRNE-INIZCTEOSA-N 1 1 379.460 3.276 50 0 GGAAMO C[C@@H](CCNC(=O)Nc1ccccc1Cc1ccccc1)N1CC[NH+](C)CC1 ZINC000096152097 211311933 /nfs/dbraw/zinc/31/19/33/211311933.db2.gz NCZXAEDLFHJZKV-IBGZPJMESA-N 1 1 380.536 3.425 50 0 GGAAMO Cc1cnn(CCC(=O)N2CCC3(CC2)C[C@H](c2ccccc2)C[N@H+](C)C3)c1 ZINC000096151322 211312021 /nfs/dbraw/zinc/31/20/21/211312021.db2.gz RGAGTJHFKSNTEY-NRFANRHFSA-N 1 1 380.536 3.310 50 0 GGAAMO CCc1ccc(-n2cnnc2)cc1NC(=O)NC[C@@H](c1ccc(C)o1)[NH+](C)C ZINC000096151840 211311741 /nfs/dbraw/zinc/31/17/41/211311741.db2.gz GFURWKCQDNQDIG-SFHVURJKSA-N 1 1 382.468 3.156 50 0 GGAAMO CCCc1nc(C(=O)N2CCC3(CC2)c2[nH]cnc2CC[N@@H+]3CCC)cs1 ZINC000096151445 211311257 /nfs/dbraw/zinc/31/12/57/211311257.db2.gz IXLHBACEXIUPNF-UHFFFAOYSA-N 1 1 387.553 3.218 50 0 GGAAMO Cc1cnn(Cc2cccc(Cl)c2)c1NC(=O)NC[C@]1(C)CC[N@H+](C)C1 ZINC000096148654 211310495 /nfs/dbraw/zinc/31/04/95/211310495.db2.gz WYOYMWJQYSLSTG-IBGZPJMESA-N 1 1 375.904 3.357 50 0 GGAAMO Cc1[nH+]ccn1Cc1nnc(C2CCN(Cc3c(F)cccc3F)CC2)n1C ZINC000096147970 211310565 /nfs/dbraw/zinc/31/05/65/211310565.db2.gz WXRVNCATWZIMRX-UHFFFAOYSA-N 1 1 386.450 3.026 50 0 GGAAMO CC[N@H+]1C[C@H](c2ccccc2)CC2(CCN(C(=O)c3ccc(=O)n(C)c3)CC2)C1 ZINC000096149364 211310131 /nfs/dbraw/zinc/31/01/31/211310131.db2.gz YZBCDVFDNFSWEW-OAQYLSRUSA-N 1 1 393.531 3.117 50 0 GGAAMO Cc1cnn(Cc2cccc(Cl)c2)c1NC(=O)NC[C@@]1(C)CC[N@H+](C)C1 ZINC000096148655 211309462 /nfs/dbraw/zinc/30/94/62/211309462.db2.gz WYOYMWJQYSLSTG-LJQANCHMSA-N 1 1 375.904 3.357 50 0 GGAAMO O=C(Nc1ccc2c(c1)COC2=O)N[C@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000096131460 211304059 /nfs/dbraw/zinc/30/40/59/211304059.db2.gz RQUURHCPQGMUMT-SFHVURJKSA-N 1 1 383.423 3.282 50 0 GGAAMO O=C(Nc1ccc2c(c1)COC2=O)N[C@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000096131460 211304062 /nfs/dbraw/zinc/30/40/62/211304062.db2.gz RQUURHCPQGMUMT-SFHVURJKSA-N 1 1 383.423 3.282 50 0 GGAAMO C[NH+]1CCN(C2(CNC(=O)Nc3ccccc3C(F)(F)F)CCCC2)CC1 ZINC000096140409 211305750 /nfs/dbraw/zinc/30/57/50/211305750.db2.gz MKQVEEYOJDMEGO-UHFFFAOYSA-N 1 1 384.446 3.387 50 0 GGAAMO O=C(Nc1cccc(N2CCOC2=O)c1)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000096133404 211305192 /nfs/dbraw/zinc/30/51/92/211305192.db2.gz BCHIQPICVILOKV-SFHVURJKSA-N 1 1 380.448 3.039 50 0 GGAAMO COCC[N@H+]1CC[C@H](CNC(=O)Nc2ccc(/C=C/c3ccccn3)cc2)C1 ZINC000095530014 211275663 /nfs/dbraw/zinc/27/56/63/211275663.db2.gz NRXCRZKMIAEOEQ-MTCRFPMVSA-N 1 1 380.492 3.342 50 0 GGAAMO CN(Cc1nc2ncccn2n1)C[C@H]1CCC[N@@H+](CCc2ccc(Cl)cc2)C1 ZINC000095531325 211275509 /nfs/dbraw/zinc/27/55/09/211275509.db2.gz VHGJGFVCZAOPOP-GOSISDBHSA-N 1 1 398.942 3.164 50 0 GGAAMO C[NH+](C)CCN(C[C@@H]1CCCN(Cc2ccccc2F)C1)C(=O)c1ccoc1 ZINC000095529984 211275336 /nfs/dbraw/zinc/27/53/36/211275336.db2.gz XMEMOJOAZCAZDL-GOSISDBHSA-N 1 1 387.499 3.335 50 0 GGAAMO CN1CC[C@H](C[NH+]2CCC3(CC(=O)N(Cc4ccc(Cl)cc4)C3)CC2)C1 ZINC000095530260 211274847 /nfs/dbraw/zinc/27/48/47/211274847.db2.gz LKWXJPQFASEYOI-SFHVURJKSA-N 1 1 375.944 3.106 50 0 GGAAMO CCN(C[C@@H]1CCC[N@@H+](CCc2cccc(OC)c2)C1)C(=O)c1ncoc1C ZINC000095530703 211274910 /nfs/dbraw/zinc/27/49/10/211274910.db2.gz CVIPQKGASALHRO-LJQANCHMSA-N 1 1 385.508 3.408 50 0 GGAAMO O=C(NCC1([NH+]2CCOCC2)CCCCC1)Nc1ccc(-c2cc[nH]n2)cc1 ZINC000095529025 211274620 /nfs/dbraw/zinc/27/46/20/211274620.db2.gz BJQOXXCETSBGOT-UHFFFAOYSA-N 1 1 383.496 3.233 50 0 GGAAMO CN1CC[C@@H](C[NH+]2CCC3(CC(=O)N(Cc4ccc(Cl)cc4)C3)CC2)C1 ZINC000095530261 211274686 /nfs/dbraw/zinc/27/46/86/211274686.db2.gz LKWXJPQFASEYOI-GOSISDBHSA-N 1 1 375.944 3.106 50 0 GGAAMO COc1ccc(C(=O)N2CCCC2)c(OC2CC[NH+](Cc3cc(C)no3)CC2)c1 ZINC000095529523 211274709 /nfs/dbraw/zinc/27/47/09/211274709.db2.gz QAJUDMQWGFCULB-UHFFFAOYSA-N 1 1 399.491 3.271 50 0 GGAAMO Cc1ncn(CC(=O)N(C)C[C@@H]2CCC[N@@H+](CCc3ccccc3C)C2)c1C ZINC000095530414 211274733 /nfs/dbraw/zinc/27/47/33/211274733.db2.gz DPYLHXNCIAPJPW-NRFANRHFSA-N 1 1 382.552 3.221 50 0 GGAAMO CCOc1ccccc1C[NH+]1CCC2(CC1)c1[nH]cnc1CCN2C(=O)C1CC1 ZINC000095531283 211274045 /nfs/dbraw/zinc/27/40/45/211274045.db2.gz CVYOGKQSOOYABG-UHFFFAOYSA-N 1 1 394.519 3.094 50 0 GGAAMO CCOc1ccc(C[NH+]2CCC3(CC2)c2[nH]cnc2CCN3C(=O)C2CC2)cc1 ZINC000095530988 211273993 /nfs/dbraw/zinc/27/39/93/211273993.db2.gz AEUPLHYBKASDLU-UHFFFAOYSA-N 1 1 394.519 3.094 50 0 GGAAMO Cc1cc(=O)cc(C(=O)N(C)C[C@H]2CCC[N@@H+](CCc3ccccc3C)C2)o1 ZINC000095528987 211273758 /nfs/dbraw/zinc/27/37/58/211273758.db2.gz MVPULUNATGLVSA-LJQANCHMSA-N 1 1 382.504 3.283 50 0 GGAAMO Cn1cc(C[N@H+]2C[C@@H]3c4ccccc4OC[C@]3(CO)C2)c(-c2ccccc2)n1 ZINC000095526500 211272608 /nfs/dbraw/zinc/27/26/08/211272608.db2.gz CJPKTSFUWDPRHV-NFBKMPQASA-N 1 1 375.472 3.058 50 0 GGAAMO Cc1cc(C)n(C)c(=O)c1C(=O)N(CCc1ccccc1)C[C@H]1CCC[N@@H+](C)C1 ZINC000095527977 211272495 /nfs/dbraw/zinc/27/24/95/211272495.db2.gz RTOOKZVBGXKZQZ-NRFANRHFSA-N 1 1 395.547 3.029 50 0 GGAAMO COc1cc(NC(=O)CC[C@H]2CCC[N@H+](Cc3ncccn3)C2)cc(OC)c1 ZINC000095526607 211271759 /nfs/dbraw/zinc/27/17/59/211271759.db2.gz ZUVYRLCQOXDKLJ-MRXNPFEDSA-N 1 1 384.480 3.125 50 0 GGAAMO COc1cc(NC(=O)CC[C@H]2CCC[N@@H+](Cc3ncccn3)C2)cc(OC)c1 ZINC000095526607 211271764 /nfs/dbraw/zinc/27/17/64/211271764.db2.gz ZUVYRLCQOXDKLJ-MRXNPFEDSA-N 1 1 384.480 3.125 50 0 GGAAMO CN(C[C@H]1CCC[N@@H+](CCc2ccc(Cl)cc2)C1)C(=O)Cc1cnccn1 ZINC000095527831 211271434 /nfs/dbraw/zinc/27/14/34/211271434.db2.gz MQAOOJBWYFFEKT-GOSISDBHSA-N 1 1 386.927 3.086 50 0 GGAAMO C[NH+]1CCC(N2CCC(Oc3cccc(C(=O)N4CCCCC4)c3)CC2)CC1 ZINC000095525243 211270351 /nfs/dbraw/zinc/27/03/51/211270351.db2.gz KNGYKCSCJSTORX-UHFFFAOYSA-N 1 1 385.552 3.250 50 0 GGAAMO COc1ccc(CN2CCC(F)(F)CC2)cc1OC[C@@H](O)C[N@@H+](C)C(C)C ZINC000095522647 211269410 /nfs/dbraw/zinc/26/94/10/211269410.db2.gz FQBDRJQRFNCLHM-KRWDZBQOSA-N 1 1 386.483 3.006 50 0 GGAAMO Cc1cc(C(=O)N(C)C[C@H]2CCC[N@@H+](CCc3ccccc3C)C2)cc(=O)[nH]1 ZINC000095521823 211268380 /nfs/dbraw/zinc/26/83/80/211268380.db2.gz DMVIBELJVMGQOH-LJQANCHMSA-N 1 1 381.520 3.018 50 0 GGAAMO CCc1[nH+]ccn1CCC(=O)N1CCC(c2nccn2Cc2ccccc2)CC1 ZINC000095522174 211268155 /nfs/dbraw/zinc/26/81/55/211268155.db2.gz QYGOYCOSXLEMEJ-UHFFFAOYSA-N 1 1 391.519 3.487 50 0 GGAAMO CN(Cc1cnccn1)Cc1ccccc1OC[C@@H](O)C[N@@H+](C)C1CCCCC1 ZINC000095521121 211267549 /nfs/dbraw/zinc/26/75/49/211267549.db2.gz UEDWZEBFSGJXLH-QFIPXVFZSA-N 1 1 398.551 3.113 50 0 GGAAMO CN(C[C@H]1CCC[N@@H+](CCc2cccc(C(F)(F)F)c2)C1)C(=O)c1c[nH]cn1 ZINC000095521737 211266864 /nfs/dbraw/zinc/26/68/64/211266864.db2.gz ZCOOWWRCFGQIPT-MRXNPFEDSA-N 1 1 394.441 3.455 50 0 GGAAMO CN(C[C@H]1CCC[N@H+](CCc2cccc(C(F)(F)F)c2)C1)C(=O)c1cnc[nH]1 ZINC000095521737 211266868 /nfs/dbraw/zinc/26/68/68/211266868.db2.gz ZCOOWWRCFGQIPT-MRXNPFEDSA-N 1 1 394.441 3.455 50 0 GGAAMO CN(C[C@H]1CCC[N@@H+](CCc2cccc(C(F)(F)F)c2)C1)C(=O)c1cnc[nH]1 ZINC000095521737 211266871 /nfs/dbraw/zinc/26/68/71/211266871.db2.gz ZCOOWWRCFGQIPT-MRXNPFEDSA-N 1 1 394.441 3.455 50 0 GGAAMO Cc1cc(C(=O)NC[C@H]2CCC[N@@H+](Cc3cncn3C3CCCCC3)C2)no1 ZINC000095499500 211252149 /nfs/dbraw/zinc/25/21/49/211252149.db2.gz LJMVETVUVJKGJH-QGZVFWFLSA-N 1 1 385.512 3.327 50 0 GGAAMO C[N@@H+](C[C@@H](O)COc1cccc(CN2CCOC(C)(C)C2)c1)C1CCCCC1 ZINC000095517237 211263422 /nfs/dbraw/zinc/26/34/22/211263422.db2.gz DXJJNYPSCPVPDK-OAQYLSRUSA-N 1 1 390.568 3.302 50 0 GGAAMO O=C1CCC2(CC[NH+](Cc3nnc(C4CC4)o3)CC2)CN1CCc1ccccc1 ZINC000095513093 211262956 /nfs/dbraw/zinc/26/29/56/211262956.db2.gz CHQZDIQYSKHQCV-UHFFFAOYSA-N 1 1 394.519 3.394 50 0 GGAAMO CCO[C@H]1C[N@@H+](C)C[C@@H]1NC(=O)Nc1ccc(-c2cccc(C(C)=O)c2)cc1 ZINC000095516434 211262217 /nfs/dbraw/zinc/26/22/17/211262217.db2.gz CAIMKTKTKFXNBA-SFTDATJTSA-N 1 1 381.476 3.397 50 0 GGAAMO COc1ccc2c(c1)OC[C@@H](C(=O)NCc1ccccc1-n1cc[nH+]c1C)C2 ZINC000095512200 211261603 /nfs/dbraw/zinc/26/16/03/211261603.db2.gz CQDKCJPHUIDZCY-SFHVURJKSA-N 1 1 377.444 3.057 50 0 GGAAMO O=C(Nc1ccc(Oc2ccccc2)nc1)C1CC[NH+](Cc2cnc[nH]2)CC1 ZINC000095509545 211260771 /nfs/dbraw/zinc/26/07/71/211260771.db2.gz MWJBFJGTUCMQJR-UHFFFAOYSA-N 1 1 377.448 3.448 50 0 GGAAMO O=C(Nc1ccc(Oc2ccccc2)nc1)C1CC[NH+](Cc2c[nH]cn2)CC1 ZINC000095509545 211260767 /nfs/dbraw/zinc/26/07/67/211260767.db2.gz MWJBFJGTUCMQJR-UHFFFAOYSA-N 1 1 377.448 3.448 50 0 GGAAMO O=C(c1cnco1)N(CCN1CCCCC1)C[C@@H]1CCC[N@@H+](C2CCCC2)C1 ZINC000095510113 211260236 /nfs/dbraw/zinc/26/02/36/211260236.db2.gz CSQGFXZNDNAJSX-LJQANCHMSA-N 1 1 388.556 3.257 50 0 GGAAMO O=C(c1cnco1)N(CCN1CCCCC1)C[C@@H]1CCC[N@H+](C2CCCC2)C1 ZINC000095510113 211260240 /nfs/dbraw/zinc/26/02/40/211260240.db2.gz CSQGFXZNDNAJSX-LJQANCHMSA-N 1 1 388.556 3.257 50 0 GGAAMO Cc1cccc(-c2ncc(C[N@@H+]3C[C@@H](C(C)C)[C@H](NC(=O)N(C)C)C3)cn2)c1 ZINC000095505296 211258245 /nfs/dbraw/zinc/25/82/45/211258245.db2.gz QFCMGJXRZQJSOJ-VQTJNVASSA-N 1 1 381.524 3.180 50 0 GGAAMO COc1ccc(CN2CCc3ccccc3C2)cc1OC[C@H](O)C[NH+]1CCCC1 ZINC000095507596 211258003 /nfs/dbraw/zinc/25/80/03/211258003.db2.gz WKYUTFKGCFDQNT-JOCHJYFZSA-N 1 1 396.531 3.089 50 0 GGAAMO CCO[C@H]1C[N@@H+](C)C[C@@H]1NC(=O)Nc1ccc(Oc2cccc(OC)c2)cc1 ZINC000095506195 211257844 /nfs/dbraw/zinc/25/78/44/211257844.db2.gz AGGVRNMEJMPZKE-PMACEKPBSA-N 1 1 385.464 3.328 50 0 GGAAMO CNc1cc(C(=O)N2C[C@H]3CC[C@@H]2C[N@@H+](CCCc2ccccc2)C3)ccn1 ZINC000095506461 211257805 /nfs/dbraw/zinc/25/78/05/211257805.db2.gz CCKATUQHPVCBLS-PZJWPPBQSA-N 1 1 378.520 3.293 50 0 GGAAMO CC(C)(C)C[NH+]1CCC(Oc2ccc(C(=O)N3CCNCC3)cc2Cl)CC1 ZINC000095506560 211257592 /nfs/dbraw/zinc/25/75/92/211257592.db2.gz WIDLUNAMZZXYSP-UHFFFAOYSA-N 1 1 393.959 3.275 50 0 GGAAMO COc1ccccc1C[NH+]1CCC(CN(CC(C)C)C(=O)c2ccn[nH]2)CC1 ZINC000095506550 211256689 /nfs/dbraw/zinc/25/66/89/211256689.db2.gz DRCPBCPSZSEOSN-UHFFFAOYSA-N 1 1 384.524 3.429 50 0 GGAAMO CC(C)C/C=C(\C[N@H+]1CCC[C@@H](CNS(=O)(=O)N(C)C)C1)c1ccccc1 ZINC000095503571 211254605 /nfs/dbraw/zinc/25/46/05/211254605.db2.gz GMHYNSASIFOLIA-IOVUBPJKSA-N 1 1 393.597 3.224 50 0 GGAAMO CCc1[nH+]ccn1CC(=O)N1CCC[C@H](CCC(=O)Nc2ccccc2F)C1 ZINC000095500263 211253689 /nfs/dbraw/zinc/25/36/89/211253689.db2.gz PIHGHLKQKSNMJY-MRXNPFEDSA-N 1 1 386.471 3.242 50 0 GGAAMO Cc1ccccc1C[NH+]1CCC(CN(C[C@@H]2CCCO2)C(=O)c2cnc[nH]2)CC1 ZINC000095498951 211253212 /nfs/dbraw/zinc/25/32/12/211253212.db2.gz QAQYKNOLEKEJJV-NRFANRHFSA-N 1 1 396.535 3.252 50 0 GGAAMO CCc1[nH+]ccn1CC(=O)N1CCC[C@@H](CCC(=O)Nc2ccccc2F)C1 ZINC000095500264 211253005 /nfs/dbraw/zinc/25/30/05/211253005.db2.gz PIHGHLKQKSNMJY-INIZCTEOSA-N 1 1 386.471 3.242 50 0 GGAAMO CC[C@H]1CN(C(=O)c2ccc3sc4c(c3c2)CCNC4=O)CC[N@H+]1C(C)C ZINC000095388588 211236640 /nfs/dbraw/zinc/23/66/40/211236640.db2.gz UZEMENJDDIRKSW-HNNXBMFYSA-N 1 1 385.533 3.132 50 0 GGAAMO Cc1ccncc1C(=O)N1C[C@@H](c2cccc(F)c2F)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000095390742 211237877 /nfs/dbraw/zinc/23/78/77/211237877.db2.gz JJWCCPPLWZYSHP-IOMROCGXSA-N 1 1 383.442 3.371 50 0 GGAAMO Cc1ccc(C[N@@H+]2CC[C@@]3(O)CCN(C(=O)C4CCCC4)C[C@H]3C2)c(F)c1F ZINC000095392049 211237110 /nfs/dbraw/zinc/23/71/10/211237110.db2.gz BTGYJGYWIZRENY-XMSQKQJNSA-N 1 1 392.490 3.249 50 0 GGAAMO Cc1ccc(C[N@H+]2CC[C@@]3(O)CCN(C(=O)C4CCCC4)C[C@H]3C2)c(F)c1F ZINC000095392049 211237115 /nfs/dbraw/zinc/23/71/15/211237115.db2.gz BTGYJGYWIZRENY-XMSQKQJNSA-N 1 1 392.490 3.249 50 0 GGAAMO c1ccc(-c2noc(CN3C[C@H]4CC[C@@H]3C[N@@H+](Cc3cccnc3)C4)n2)cc1 ZINC000095392909 211236783 /nfs/dbraw/zinc/23/67/83/211236783.db2.gz ZWPQNFKYHPWVRW-AZUAARDMSA-N 1 1 375.476 3.228 50 0 GGAAMO COc1ccc(C[N@H+]2C[C@@H]3CC[C@H](C2)N(Cc2cccc4nonc42)C3)cc1 ZINC000095391230 211236547 /nfs/dbraw/zinc/23/65/47/211236547.db2.gz MYDKABNQTAWMFI-PKOBYXMFSA-N 1 1 378.476 3.328 50 0 GGAAMO COc1ccc(CN2C[C@H]3CC[C@H](C[N@H+]3Cc3cccc4nonc43)C2)cc1 ZINC000095391230 211236549 /nfs/dbraw/zinc/23/65/49/211236549.db2.gz MYDKABNQTAWMFI-PKOBYXMFSA-N 1 1 378.476 3.328 50 0 GGAAMO COc1ccc(CN2C[C@H]3CC[C@H](C[N@@H+]3Cc3cccc4nonc43)C2)cc1 ZINC000095391230 211236552 /nfs/dbraw/zinc/23/65/52/211236552.db2.gz 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C[N@@H+](CCc1ccccc1)C1(C(=O)N2CCSCC2)Cc2ccccc2C1 ZINC000072157806 211078708 /nfs/dbraw/zinc/07/87/08/211078708.db2.gz UAPXACVSURQPIV-UHFFFAOYSA-N 1 1 380.557 3.274 50 0 GGAAMO Oc1cccc([C@@H]2C[N@@H+](Cc3ccc4c(c3)OCO4)[C@H]3[C@@H]2N2CCC3CC2)c1 ZINC000072159323 211078535 /nfs/dbraw/zinc/07/85/35/211078535.db2.gz IMTPCKONDNTQRV-WWPVKYPJSA-N 1 1 378.472 3.183 50 0 GGAAMO Oc1cccc([C@@H]2CN(Cc3ccc4c(c3)OCO4)[C@H]3[C@@H]2[NH+]2CCC3CC2)c1 ZINC000072159323 211078537 /nfs/dbraw/zinc/07/85/37/211078537.db2.gz IMTPCKONDNTQRV-WWPVKYPJSA-N 1 1 378.472 3.183 50 0 GGAAMO Cn1ncc2c1nc(C(C)(C)C)nc2N[C@@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000072152069 211077699 /nfs/dbraw/zinc/07/76/99/211077699.db2.gz CKFDYIDQPBVPSV-MRXNPFEDSA-N 1 1 379.512 3.132 50 0 GGAAMO COc1cccc(C(=O)N2CCC3(CC2)CC[NH+](C2CCN(C)CC2)CC3)c1 ZINC000072151676 211077640 /nfs/dbraw/zinc/07/76/40/211077640.db2.gz BHYICHWJRAIJKP-UHFFFAOYSA-N 1 1 385.552 3.108 50 0 GGAAMO COc1cccc(C(=O)N2CCC3(CC2)CCN(C2CC[NH+](C)CC2)CC3)c1 ZINC000072151676 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375.557 3.084 50 0 GGAAMO CN1CCC([N@H+]2CCC[C@@H](NC(=O)C(c3ccccc3)c3ccccc3)C2)CC1 ZINC000067676850 211015807 /nfs/dbraw/zinc/01/58/07/211015807.db2.gz RZYHWEVKBBPNSH-JOCHJYFZSA-N 1 1 391.559 3.493 50 0 GGAAMO C[NH+]1CCC(N2CCC[C@@H](NC(=O)C(c3ccccc3)c3ccccc3)C2)CC1 ZINC000067676850 211015810 /nfs/dbraw/zinc/01/58/10/211015810.db2.gz RZYHWEVKBBPNSH-JOCHJYFZSA-N 1 1 391.559 3.493 50 0 GGAAMO C[C@H]1C[N@H+](C)C(C)(C)CN1C(=O)c1coc(COc2cccc3cnccc32)n1 ZINC000067540255 211011434 /nfs/dbraw/zinc/01/14/34/211011434.db2.gz QTSWPZMBDMZLAL-HNNXBMFYSA-N 1 1 394.475 3.357 50 0 GGAAMO C[C@H]1C[N@@H+](C)C(C)(C)CN1C(=O)c1coc(COc2cccc3cnccc32)n1 ZINC000067540255 211011438 /nfs/dbraw/zinc/01/14/38/211011438.db2.gz QTSWPZMBDMZLAL-HNNXBMFYSA-N 1 1 394.475 3.357 50 0 GGAAMO CCC[N@@H+]1CCc2nc(SCC(=O)Nc3ccc4c(c3)CCC4)[nH]c(=O)c2C1 ZINC000067291920 211007304 /nfs/dbraw/zinc/00/73/04/211007304.db2.gz OBGFYJSDDCZFCG-UHFFFAOYSA-N 1 1 398.532 3.170 50 0 GGAAMO CCC[N@H+]1CCc2nc(SCC(=O)Nc3ccc4c(c3)CCC4)[nH]c(=O)c2C1 ZINC000067291920 211007309 /nfs/dbraw/zinc/00/73/09/211007309.db2.gz OBGFYJSDDCZFCG-UHFFFAOYSA-N 1 1 398.532 3.170 50 0 GGAAMO O=C(c1n[nH]nc1Nc1cccc(Cl)c1)N1CC[NH+](C2CCCCC2)CC1 ZINC000067284655 211007049 /nfs/dbraw/zinc/00/70/49/211007049.db2.gz XSCCHHPCHLJAQS-UHFFFAOYSA-N 1 1 388.903 3.292 50 0 GGAAMO CCC[N@@H+]1CCc2nc(SCC(=O)Nc3ccc(C)cc3C)[nH]c(=O)c2C1 ZINC000067291765 211006819 /nfs/dbraw/zinc/00/68/19/211006819.db2.gz DIFPBQMYEANHTR-UHFFFAOYSA-N 1 1 386.521 3.298 50 0 GGAAMO CCC[N@H+]1CCc2nc(SCC(=O)Nc3ccc(C)cc3C)[nH]c(=O)c2C1 ZINC000067291765 211006825 /nfs/dbraw/zinc/00/68/25/211006825.db2.gz DIFPBQMYEANHTR-UHFFFAOYSA-N 1 1 386.521 3.298 50 0 GGAAMO O=C(c1n[nH]nc1Nc1ccc(Cl)cc1)N1CCC([NH+]2CCCCC2)CC1 ZINC000067284283 211006702 /nfs/dbraw/zinc/00/67/02/211006702.db2.gz FPZREVAQGCYTOW-UHFFFAOYSA-N 1 1 388.903 3.292 50 0 GGAAMO Cc1cc(C[N@@H+](C)C[C@@]2(O)CCCN(Cc3ccc(C(C)C)cc3)C2=O)no1 ZINC000067654560 211014636 /nfs/dbraw/zinc/01/46/36/211014636.db2.gz DXGSIBNZIBNIBT-QFIPXVFZSA-N 1 1 385.508 3.092 50 0 GGAAMO Cc1cc(C[N@H+](C)C[C@@]2(O)CCCN(Cc3ccc(C(C)C)cc3)C2=O)no1 ZINC000067654560 211014640 /nfs/dbraw/zinc/01/46/40/211014640.db2.gz DXGSIBNZIBNIBT-QFIPXVFZSA-N 1 1 385.508 3.092 50 0 GGAAMO Cc1cc(C)n(-c2cc(NCCNC(=O)Nc3ccc(C)cc3)[nH+]c(C)n2)n1 ZINC000067621520 211013115 /nfs/dbraw/zinc/01/31/15/211013115.db2.gz KWHAVRDFGQOYHK-UHFFFAOYSA-N 1 1 379.468 3.130 50 0 GGAAMO O=C(c1n[nH]nc1Nc1cccc(Cl)c1)N1CCC([NH+]2CCCCC2)CC1 ZINC000067284631 211006209 /nfs/dbraw/zinc/00/62/09/211006209.db2.gz WOXCGUAJDUITQF-UHFFFAOYSA-N 1 1 388.903 3.292 50 0 GGAAMO O=C(c1n[nH]nc1Nc1ccc(Cl)cc1)N1CC[NH+](C2CCCCC2)CC1 ZINC000067284304 211006317 /nfs/dbraw/zinc/00/63/17/211006317.db2.gz QLAIAJSOJBBMMJ-UHFFFAOYSA-N 1 1 388.903 3.292 50 0 GGAAMO CCOC(=O)C1=C(C[NH+]2CCC(C)CC2)NC(=O)N[C@H]1c1ccccc1Cl ZINC000067287298 211006088 /nfs/dbraw/zinc/00/60/88/211006088.db2.gz IGDGWRWNVWVXOM-SFHVURJKSA-N 1 1 391.899 3.243 50 0 GGAAMO O=C(Nc1ccc(C(=O)N2CCC[N@H+](Cc3ccccn3)CC2)cc1)C1CCC1 ZINC000055271153 210884980 /nfs/dbraw/zinc/88/49/80/210884980.db2.gz SNEWBQXGCHRGGT-UHFFFAOYSA-N 1 1 392.503 3.168 50 0 GGAAMO O=C(Nc1ccc(C(=O)N2CCC[N@@H+](Cc3ccccn3)CC2)cc1)C1CCC1 ZINC000055271153 210884985 /nfs/dbraw/zinc/88/49/85/210884985.db2.gz SNEWBQXGCHRGGT-UHFFFAOYSA-N 1 1 392.503 3.168 50 0 GGAAMO CN(Cc1cccn1-c1ncccn1)[C@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC000022920172 210427237 /nfs/dbraw/zinc/42/72/37/210427237.db2.gz CMRLMORYEOVGIH-NRFANRHFSA-N 1 1 375.520 3.406 50 0 GGAAMO Cc1cccc(NC(=O)N2CCN(c3cc(N4CCCC4)nc(C)[nH+]3)CC2)c1 ZINC000021795070 210393508 /nfs/dbraw/zinc/39/35/08/210393508.db2.gz GSVPQIVVWFJANH-UHFFFAOYSA-N 1 1 380.496 3.048 50 0 GGAAMO S=C(NC[C@H]1CCCO1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000021540669 210386201 /nfs/dbraw/zinc/38/62/01/210386201.db2.gz GKLASGVHSYZVTK-OAQYLSRUSA-N 1 1 395.572 3.447 50 0 GGAAMO Cc1nc(N2CCCC2)cc(N2CCN(C(=O)c3ccccc3Cl)CC2)[nH+]1 ZINC000021793640 210393590 /nfs/dbraw/zinc/39/35/90/210393590.db2.gz KMLQLNFWBWCAPM-UHFFFAOYSA-N 1 1 385.899 3.001 50 0 GGAAMO Cc1ccc(C[N@H+]2CCC[C@@H](N3CCN(Cc4ccc5c(c4)OCO5)CC3)C2)o1 ZINC000020995704 210373482 /nfs/dbraw/zinc/37/34/82/210373482.db2.gz YGXJQIBOWATFGF-HXUWFJFHSA-N 1 1 397.519 3.099 50 0 GGAAMO Cc1cc(C)n(-c2cccc(CN3CC[N@H+](CCC(C)C)[C@@H](CCO)C3)c2)n1 ZINC000020997477 210373110 /nfs/dbraw/zinc/37/31/10/210373110.db2.gz MGOXNRJSKINXKB-QHCPKHFHSA-N 1 1 384.568 3.404 50 0 GGAAMO CCOC(=O)N1CCN([C@@H]2CCC[N@@H+](Cc3ccccc3OC(F)F)C2)CC1 ZINC000020997401 210372659 /nfs/dbraw/zinc/37/26/59/210372659.db2.gz QGSRJMHPCJCUMT-QGZVFWFLSA-N 1 1 397.466 3.027 50 0 GGAAMO C[C@@H]1C[N@@H+](C)CCCN1C(=O)c1cc(-c2cnn(C)c2)nc2ccc(Cl)cc21 ZINC000020992123 210372052 /nfs/dbraw/zinc/37/20/52/210372052.db2.gz WFSUOFVOZBYOPV-CQSZACIVSA-N 1 1 397.910 3.455 50 0 GGAAMO OCC[C@@H]1CN(Cc2c[nH]nc2-c2ccccc2)CC[N@@H+]1Cc1ccsc1 ZINC000020998022 210372084 /nfs/dbraw/zinc/37/20/84/210372084.db2.gz VWIZSDRUKVHTSL-HXUWFJFHSA-N 1 1 382.533 3.207 50 0 GGAAMO OCC[C@@H]1CN(Cc2c[nH]nc2-c2ccccc2)CC[N@H+]1Cc1ccsc1 ZINC000020998022 210372088 /nfs/dbraw/zinc/37/20/88/210372088.db2.gz VWIZSDRUKVHTSL-HXUWFJFHSA-N 1 1 382.533 3.207 50 0 GGAAMO OCC[C@@H]1C[N@H+](Cc2c[nH]nc2-c2ccccc2)CCN1Cc1ccsc1 ZINC000020998022 210372091 /nfs/dbraw/zinc/37/20/91/210372091.db2.gz VWIZSDRUKVHTSL-HXUWFJFHSA-N 1 1 382.533 3.207 50 0 GGAAMO OCC[C@@H]1C[N@@H+](Cc2c[nH]nc2-c2ccccc2)CCN1Cc1ccsc1 ZINC000020998022 210372094 /nfs/dbraw/zinc/37/20/94/210372094.db2.gz VWIZSDRUKVHTSL-HXUWFJFHSA-N 1 1 382.533 3.207 50 0 GGAAMO OCC[C@H]1CN(C2CCN(c3ccccc3F)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000020914205 210369825 /nfs/dbraw/zinc/36/98/25/210369825.db2.gz NLBDEHFBEXFIAX-QFIPXVFZSA-N 1 1 397.538 3.363 50 0 GGAAMO OCC[C@H]1CN(C2CCN(c3ccccc3F)CC2)CC[N@H+]1Cc1ccccc1 ZINC000020914205 210369830 /nfs/dbraw/zinc/36/98/30/210369830.db2.gz NLBDEHFBEXFIAX-QFIPXVFZSA-N 1 1 397.538 3.363 50 0 GGAAMO OCC[C@H]1C[N@H+](C2CCN(c3ccccc3F)CC2)CCN1Cc1ccccc1 ZINC000020914205 210369823 /nfs/dbraw/zinc/36/98/23/210369823.db2.gz NLBDEHFBEXFIAX-QFIPXVFZSA-N 1 1 397.538 3.363 50 0 GGAAMO OCC[C@H]1C[N@@H+](Cc2c[nH]nc2-c2ccccc2)CCN1Cc1ccc(F)cc1 ZINC000020907495 210369432 /nfs/dbraw/zinc/36/94/32/210369432.db2.gz HWQJXLCBUZVJEX-QFIPXVFZSA-N 1 1 394.494 3.285 50 0 GGAAMO OCC[C@H]1C[N@H+](Cc2c[nH]nc2-c2ccccc2)CCN1Cc1ccc(F)cc1 ZINC000020907495 210369428 /nfs/dbraw/zinc/36/94/28/210369428.db2.gz HWQJXLCBUZVJEX-QFIPXVFZSA-N 1 1 394.494 3.285 50 0 GGAAMO Fc1ccc2nc(CN3CCC[C@H]([NH+]4CCN(c5ccccc5)CC4)C3)[nH]c2c1 ZINC000020905472 210367809 /nfs/dbraw/zinc/36/78/09/210367809.db2.gz QICNJFGOGDKNPL-FQEVSTJZSA-N 1 1 393.510 3.489 50 0 GGAAMO Cc1oc2c(c1C)c(C)cc1oc(=O)c(CC(=O)N3CC[NH+](C)CC3)c(C)c21 ZINC000020648063 210356289 /nfs/dbraw/zinc/35/62/89/210356289.db2.gz FZDLMFZOWNOJBY-UHFFFAOYSA-N 1 1 382.460 3.089 50 0 GGAAMO CC[N@H+]1CCC[C@@H]1CN1CCn2c3ccc(NC(=O)CC(C)C)cc3nc2C1 ZINC000020678090 210356152 /nfs/dbraw/zinc/35/61/52/210356152.db2.gz VBUVYDNALFOKGK-GOSISDBHSA-N 1 1 383.540 3.321 50 0 GGAAMO Cc1oc(-c2cc(F)ccc2F)nc1C[N@@H+]1CCC[C@H](CN2CCOCC2)C1 ZINC000020858002 210364880 /nfs/dbraw/zinc/36/48/80/210364880.db2.gz SLFMSQGVJRUPSN-MRXNPFEDSA-N 1 1 391.462 3.472 50 0 GGAAMO Cc1oc(-c2cc(F)ccc2F)nc1C[N@H+]1CCC[C@H](CN2CCOCC2)C1 ZINC000020858002 210364883 /nfs/dbraw/zinc/36/48/83/210364883.db2.gz SLFMSQGVJRUPSN-MRXNPFEDSA-N 1 1 391.462 3.472 50 0 GGAAMO OCC1CCN([C@@H]2CCC[N@H+](C3CCN(c4cccc(Cl)c4)CC3)C2)CC1 ZINC000020785019 210360592 /nfs/dbraw/zinc/36/05/92/210360592.db2.gz XDSZCPJAZFTUDJ-JOCHJYFZSA-N 1 1 391.987 3.478 50 0 GGAAMO OCC1CC[NH+]([C@@H]2CCCN(C3CCN(c4cccc(Cl)c4)CC3)C2)CC1 ZINC000020785019 210360597 /nfs/dbraw/zinc/36/05/97/210360597.db2.gz XDSZCPJAZFTUDJ-JOCHJYFZSA-N 1 1 391.987 3.478 50 0 GGAAMO O=C(Cn1c(-c2ccccc2)cc2ccccc21)NCCC[NH+]1CCOCC1 ZINC000020734694 210359843 /nfs/dbraw/zinc/35/98/43/210359843.db2.gz HXZXBQUSWUVIAI-UHFFFAOYSA-N 1 1 377.488 3.147 50 0 GGAAMO Cc1occc1C(=O)N[C@H](C)c1nnc2n1CC[N@H+](Cc1ccc(C)cc1)CC2 ZINC000020598604 210349817 /nfs/dbraw/zinc/34/98/17/210349817.db2.gz USXPQIABTMHANO-MRXNPFEDSA-N 1 1 393.491 3.037 50 0 GGAAMO O=C(NC1CCCCCC1)c1coc(CN2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000020599798 210349635 /nfs/dbraw/zinc/34/96/35/210349635.db2.gz ZKDVGBFCQKSKSW-UHFFFAOYSA-N 1 1 396.535 3.445 50 0 GGAAMO CCOc1ccccc1CN1CC[N@H+](Cc2ccc(OC)c(C)c2)C[C@@H]1CCO ZINC000020600608 210349591 /nfs/dbraw/zinc/34/95/91/210349591.db2.gz ULCQMUGVIUTXMI-QFIPXVFZSA-N 1 1 398.547 3.471 50 0 GGAAMO CCOc1ccccc1CN1CC[N@@H+](Cc2ccc(OC)c(C)c2)C[C@@H]1CCO ZINC000020600608 210349596 /nfs/dbraw/zinc/34/95/96/210349596.db2.gz ULCQMUGVIUTXMI-QFIPXVFZSA-N 1 1 398.547 3.471 50 0 GGAAMO CCOC(=O)C1=C(C[N@@H+](C)Cc2ccccc2)NC(=O)N[C@@H]1c1cccs1 ZINC000020559011 210348387 /nfs/dbraw/zinc/34/83/87/210348387.db2.gz QWQARMVAQFZAMO-GOSISDBHSA-N 1 1 385.489 3.051 50 0 GGAAMO CCOC(=O)C1=C(C[N@H+](C)Cc2ccccc2)NC(=O)N[C@@H]1c1cccs1 ZINC000020559011 210348381 /nfs/dbraw/zinc/34/83/81/210348381.db2.gz QWQARMVAQFZAMO-GOSISDBHSA-N 1 1 385.489 3.051 50 0 GGAAMO O=C(NC1CCCCC1)[C@@H]1CCC[N@H+](C2CCN(Cc3ccncc3)CC2)C1 ZINC000020540245 210346803 /nfs/dbraw/zinc/34/68/03/210346803.db2.gz SIIQZFJLLXWCKO-HXUWFJFHSA-N 1 1 384.568 3.207 50 0 GGAAMO OCc1ccc(C[N@H+]2CCC[C@@H](N3CCN(c4cccc(Cl)c4)CC3)C2)o1 ZINC000020539386 210346864 /nfs/dbraw/zinc/34/68/64/210346864.db2.gz DNOWFYJRSXIDCA-LJQANCHMSA-N 1 1 389.927 3.212 50 0 GGAAMO OCc1ccc(CN2CCC[C@@H]([NH+]3CCN(c4cccc(Cl)c4)CC3)C2)o1 ZINC000020539386 210346869 /nfs/dbraw/zinc/34/68/69/210346869.db2.gz DNOWFYJRSXIDCA-LJQANCHMSA-N 1 1 389.927 3.212 50 0 GGAAMO CCc1nn2c(nc(C)cc2NCCC[NH+]2CCOCC2)c1-c1ccccc1 ZINC000020533560 210346887 /nfs/dbraw/zinc/34/68/87/210346887.db2.gz IWKNSXGYSCCLRD-UHFFFAOYSA-N 1 1 379.508 3.401 50 0 GGAAMO OCC[C@H]1CN(Cc2cnn(-c3ccccc3)c2)CC[N@@H+]1Cc1ccsc1 ZINC000020541792 210346511 /nfs/dbraw/zinc/34/65/11/210346511.db2.gz OYYPVWCUDOOLMK-NRFANRHFSA-N 1 1 382.533 3.003 50 0 GGAAMO OCC[C@H]1CN(Cc2cnn(-c3ccccc3)c2)CC[N@H+]1Cc1ccsc1 ZINC000020541792 210346515 /nfs/dbraw/zinc/34/65/15/210346515.db2.gz OYYPVWCUDOOLMK-NRFANRHFSA-N 1 1 382.533 3.003 50 0 GGAAMO CN1CCN(C(=O)CC[C@H]2CCC[N@@H+](Cc3cccc(C(F)(F)F)c3)C2)CC1 ZINC000020543148 210346542 /nfs/dbraw/zinc/34/65/42/210346542.db2.gz VABSPAUUJAWYSA-QGZVFWFLSA-N 1 1 397.485 3.472 50 0 GGAAMO OCC[C@@H]1C[N@H+](C2CCN(c3ccccc3)CC2)CCN1Cc1cccs1 ZINC000020541597 210346460 /nfs/dbraw/zinc/34/64/60/210346460.db2.gz LARXACMFEMROEM-OAQYLSRUSA-N 1 1 385.577 3.286 50 0 GGAAMO COc1cccc(C[N@@H+]2CCN(Cc3nc(C(C)C)cs3)C[C@@H]2CCO)c1 ZINC000020537365 210346165 /nfs/dbraw/zinc/34/61/65/210346165.db2.gz UQALVXRZEYQBQR-SFHVURJKSA-N 1 1 389.565 3.344 50 0 GGAAMO COc1cccc(C[N@H+]2CCN(Cc3nc(C(C)C)cs3)C[C@@H]2CCO)c1 ZINC000020537365 210346166 /nfs/dbraw/zinc/34/61/66/210346166.db2.gz UQALVXRZEYQBQR-SFHVURJKSA-N 1 1 389.565 3.344 50 0 GGAAMO CCN1CC[NH+](CCc2nc3cc(NC(=O)c4ccccc4)ccc3n2C)CC1 ZINC000020518506 210344278 /nfs/dbraw/zinc/34/42/78/210344278.db2.gz WEONMLYERLDZGR-UHFFFAOYSA-N 1 1 391.519 3.006 50 0 GGAAMO CCC[N@@H+]1CCc2c(sc3c2c(NCCc2ccccc2)nc2nnnn23)C1 ZINC000020517416 210343958 /nfs/dbraw/zinc/34/39/58/210343958.db2.gz HELCWTLJWGFIFZ-UHFFFAOYSA-N 1 1 393.520 3.157 50 0 GGAAMO CCC[N@H+]1CCc2c(sc3c2c(NCCc2ccccc2)nc2nnnn23)C1 ZINC000020517416 210343961 /nfs/dbraw/zinc/34/39/61/210343961.db2.gz HELCWTLJWGFIFZ-UHFFFAOYSA-N 1 1 393.520 3.157 50 0 GGAAMO COc1cccc(C[N@@H+]2CCN(Cc3cccc(SC)c3)C[C@@H]2CCO)c1 ZINC000020515038 210342898 /nfs/dbraw/zinc/34/28/98/210342898.db2.gz IVXXNBQVPDGBPD-FQEVSTJZSA-N 1 1 386.561 3.486 50 0 GGAAMO COc1cccc(C[N@H+]2CCN(Cc3cccc(SC)c3)C[C@@H]2CCO)c1 ZINC000020515038 210342902 /nfs/dbraw/zinc/34/29/02/210342902.db2.gz IVXXNBQVPDGBPD-FQEVSTJZSA-N 1 1 386.561 3.486 50 0 GGAAMO COc1cccc(CN2CC[N@H+](Cc3cccc(SC)c3)C[C@@H]2CCO)c1 ZINC000020515038 210342906 /nfs/dbraw/zinc/34/29/06/210342906.db2.gz IVXXNBQVPDGBPD-FQEVSTJZSA-N 1 1 386.561 3.486 50 0 GGAAMO COc1cccc(CN2CC[N@@H+](Cc3cccc(SC)c3)C[C@@H]2CCO)c1 ZINC000020515038 210342910 /nfs/dbraw/zinc/34/29/10/210342910.db2.gz IVXXNBQVPDGBPD-FQEVSTJZSA-N 1 1 386.561 3.486 50 0 GGAAMO Cc1nn(C)cc1-c1ccnc(N2CCC([N@H+]3CCc4ccccc4C3)CC2)n1 ZINC000020455784 210337252 /nfs/dbraw/zinc/33/72/52/210337252.db2.gz JKRFLUQQZKUQLW-UHFFFAOYSA-N 1 1 388.519 3.213 50 0 GGAAMO Cn1cc(CN2CC[N@@H+](Cc3ccccc3)[C@@H](CCO)C2)c(-c2ccccc2)n1 ZINC000020454067 210336512 /nfs/dbraw/zinc/33/65/12/210336512.db2.gz YWVOIDLITDZIKP-QHCPKHFHSA-N 1 1 390.531 3.156 50 0 GGAAMO Cn1cc(C[N@@H+]2CCN(Cc3ccccc3)[C@@H](CCO)C2)c(-c2ccccc2)n1 ZINC000020454067 210336514 /nfs/dbraw/zinc/33/65/14/210336514.db2.gz YWVOIDLITDZIKP-QHCPKHFHSA-N 1 1 390.531 3.156 50 0 GGAAMO Cn1cc(C[N@H+]2CCN(Cc3ccccc3)[C@@H](CCO)C2)c(-c2ccccc2)n1 ZINC000020454067 210336518 /nfs/dbraw/zinc/33/65/18/210336518.db2.gz YWVOIDLITDZIKP-QHCPKHFHSA-N 1 1 390.531 3.156 50 0 GGAAMO CCOc1ccccc1C[N@@H+]1CCN(Cc2ccc(F)c(F)c2)C[C@@H]1CCO ZINC000020453022 210336411 /nfs/dbraw/zinc/33/64/11/210336411.db2.gz CSTREGSSPSCHDQ-IBGZPJMESA-N 1 1 390.474 3.432 50 0 GGAAMO CCOc1ccccc1C[N@H+]1CCN(Cc2ccc(F)c(F)c2)C[C@@H]1CCO ZINC000020453022 210336414 /nfs/dbraw/zinc/33/64/14/210336414.db2.gz CSTREGSSPSCHDQ-IBGZPJMESA-N 1 1 390.474 3.432 50 0 GGAAMO C/C=C/CC(=O)N1CCC[C@H]1c1ccc(C(=O)N2CCC[N@H+](C)CC2)s1 ZINC000020450901 210336267 /nfs/dbraw/zinc/33/62/67/210336267.db2.gz ACXVHIVQAROPMO-CWDCEQMOSA-N 1 1 375.538 3.156 50 0 GGAAMO C/C=C/CC(=O)N1CCC[C@H]1c1ccc(C(=O)N2CCC[N@@H+](C)CC2)s1 ZINC000020450901 210336270 /nfs/dbraw/zinc/33/62/70/210336270.db2.gz ACXVHIVQAROPMO-CWDCEQMOSA-N 1 1 375.538 3.156 50 0 GGAAMO CCOc1cc(CN2CC[N@@H+](Cc3ccccc3)[C@@H](CCO)C2)ccc1OC ZINC000020539854 210345086 /nfs/dbraw/zinc/34/50/86/210345086.db2.gz WJVPAXUDLBPLFM-NRFANRHFSA-N 1 1 384.520 3.163 50 0 GGAAMO Cc1ccccc1C[N@H+]1CCN(Cc2ccc3nsnc3c2)C[C@@H]1CCO ZINC000020535259 210345191 /nfs/dbraw/zinc/34/51/91/210345191.db2.gz UUXHVCWRNRBPRJ-IBGZPJMESA-N 1 1 382.533 3.069 50 0 GGAAMO C[NH+]1CCN(C(=O)c2cc(-c3ccc4c(c3)OCCO4)nc3ccccc32)CC1 ZINC000020220116 210324488 /nfs/dbraw/zinc/32/44/88/210324488.db2.gz MNUPERCDGZFRNL-UHFFFAOYSA-N 1 1 389.455 3.061 50 0 GGAAMO Cc1cc(-n2cccn2)ccc1CN1CC[N@H+](C2CCCCC2)[C@@H](CCO)C1 ZINC000020234449 210324519 /nfs/dbraw/zinc/32/45/19/210324519.db2.gz ZZICZQJNEFVAPE-QHCPKHFHSA-N 1 1 382.552 3.382 50 0 GGAAMO CCCCN(C)C(=O)c1nc2ccccn2c1CN(C)C[C@@H]1CCCC[N@H+]1C ZINC000020256822 210323900 /nfs/dbraw/zinc/32/39/00/210323900.db2.gz QOKZDOIUPDKVSR-SFHVURJKSA-N 1 1 385.556 3.123 50 0 GGAAMO COc1cc(CN2CC[N@@H+](Cc3cc(C)ccc3C)C[C@@H]2CCO)cc(OC)c1 ZINC000020451708 210335697 /nfs/dbraw/zinc/33/56/97/210335697.db2.gz BWWQRURGYWIFOY-QFIPXVFZSA-N 1 1 398.547 3.389 50 0 GGAAMO CCn1cc(C[N@H+]2CCC[C@@H](N3CCN(c4ccccc4F)CC3)C2)c(C)n1 ZINC000020451640 210335381 /nfs/dbraw/zinc/33/53/81/210335381.db2.gz MAAPUPYRXDUPSU-HXUWFJFHSA-N 1 1 385.531 3.137 50 0 GGAAMO CCn1cc(CN2CCC[C@@H]([NH+]3CCN(c4ccccc4F)CC3)C2)c(C)n1 ZINC000020451640 210335384 /nfs/dbraw/zinc/33/53/84/210335384.db2.gz MAAPUPYRXDUPSU-HXUWFJFHSA-N 1 1 385.531 3.137 50 0 GGAAMO COc1cccc(CN2CC[N@@H+](Cc3cccc4cnccc43)C[C@@H]2CCO)c1 ZINC000020406360 210332321 /nfs/dbraw/zinc/33/23/21/210332321.db2.gz ZJHWCVJMSCDXSC-QFIPXVFZSA-N 1 1 391.515 3.312 50 0 GGAAMO COc1cccc(C[N@@H+]2CCN(Cc3cccc4cnccc43)C[C@@H]2CCO)c1 ZINC000020406360 210332324 /nfs/dbraw/zinc/33/23/24/210332324.db2.gz ZJHWCVJMSCDXSC-QFIPXVFZSA-N 1 1 391.515 3.312 50 0 GGAAMO COc1cccc(C[N@H+]2CCN(Cc3cccc4cnccc43)C[C@@H]2CCO)c1 ZINC000020406360 210332331 /nfs/dbraw/zinc/33/23/31/210332331.db2.gz ZJHWCVJMSCDXSC-QFIPXVFZSA-N 1 1 391.515 3.312 50 0 GGAAMO COc1cccc(CN2CC[N@H+](C3C4CC5CC(C4)CC3C5)C[C@@H]2CCO)c1 ZINC000020166660 210322610 /nfs/dbraw/zinc/32/26/10/210322610.db2.gz XZJQZDDKCDBXGR-OAQUMOLUSA-N 1 1 384.564 3.389 50 0 GGAAMO O=C(NCCC[NH+]1CCOCC1)c1ccc2oc(CCc3ccccc3)nc2c1 ZINC000020201413 210322771 /nfs/dbraw/zinc/32/27/71/210322771.db2.gz KSEYMLDFKBCOQE-UHFFFAOYSA-N 1 1 393.487 3.065 50 0 GGAAMO CCOc1ccc(CN2CC[N@H+](Cc3cccc(OC)c3)[C@@H](CCO)C2)cc1 ZINC000020203788 210322255 /nfs/dbraw/zinc/32/22/55/210322255.db2.gz HXLJPQMWPOQDIP-NRFANRHFSA-N 1 1 384.520 3.163 50 0 GGAAMO CCOc1ccc(CN2CC[N@@H+](Cc3cccc(OC)c3)[C@@H](CCO)C2)cc1 ZINC000020203788 210322259 /nfs/dbraw/zinc/32/22/59/210322259.db2.gz HXLJPQMWPOQDIP-NRFANRHFSA-N 1 1 384.520 3.163 50 0 GGAAMO CCOc1ccc(C[N@@H+]2CCN(Cc3cccc(OC)c3)[C@@H](CCO)C2)cc1 ZINC000020203788 210322264 /nfs/dbraw/zinc/32/22/64/210322264.db2.gz HXLJPQMWPOQDIP-NRFANRHFSA-N 1 1 384.520 3.163 50 0 GGAAMO CCOc1ccc(C[N@H+]2CCN(Cc3cccc(OC)c3)[C@@H](CCO)C2)cc1 ZINC000020203788 210322268 /nfs/dbraw/zinc/32/22/68/210322268.db2.gz HXLJPQMWPOQDIP-NRFANRHFSA-N 1 1 384.520 3.163 50 0 GGAAMO CCn1ncc(C[N@H+]2CCC[C@@H](N3CCN(c4ccccc4OC)CC3)C2)c1C ZINC000020211336 210321991 /nfs/dbraw/zinc/32/19/91/210321991.db2.gz YRLVRAXSLRHZKR-OAQYLSRUSA-N 1 1 397.567 3.007 50 0 GGAAMO CCn1ncc(CN2CCC[C@@H]([NH+]3CCN(c4ccccc4OC)CC3)C2)c1C ZINC000020211336 210321995 /nfs/dbraw/zinc/32/19/95/210321995.db2.gz YRLVRAXSLRHZKR-OAQYLSRUSA-N 1 1 397.567 3.007 50 0 GGAAMO COc1ccc(CC[N@H+](C)Cc2nc(-c3ccc4c(c3)OCO4)no2)cc1OC ZINC000020208018 210321237 /nfs/dbraw/zinc/32/12/37/210321237.db2.gz OCMQWUTXMRPNKI-UHFFFAOYSA-N 1 1 397.431 3.157 50 0 GGAAMO COc1ccc(CC[N@@H+](C)Cc2nc(-c3ccc4c(c3)OCO4)no2)cc1OC ZINC000020208018 210321241 /nfs/dbraw/zinc/32/12/41/210321241.db2.gz OCMQWUTXMRPNKI-UHFFFAOYSA-N 1 1 397.431 3.157 50 0 GGAAMO Cc1nc(CCNC(=O)[C@@H]2CCC[N@H+](C3CCN(C(C)C)CC3)C2)sc1C ZINC000020210276 210320554 /nfs/dbraw/zinc/32/05/54/210320554.db2.gz MHWZLDHRCDMCHH-GOSISDBHSA-N 1 1 392.613 3.003 50 0 GGAAMO Cc1nc(CCNC(=O)[C@@H]2CCC[N@@H+](C3CCN(C(C)C)CC3)C2)sc1C ZINC000020210276 210320550 /nfs/dbraw/zinc/32/05/50/210320550.db2.gz MHWZLDHRCDMCHH-GOSISDBHSA-N 1 1 392.613 3.003 50 0 GGAAMO C[C@@H]1CCC[N@@H+](CCC(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)C1 ZINC000020119160 210318646 /nfs/dbraw/zinc/31/86/46/210318646.db2.gz GYSKJOBAEUVLQH-MRXNPFEDSA-N 1 1 383.458 3.476 50 0 GGAAMO COc1cccc(OC[C@@H](O)C[NH+]2CCN(c3cc(Cl)ccc3C)CC2)c1 ZINC000020109718 210316760 /nfs/dbraw/zinc/31/67/60/210316760.db2.gz GCCYHGKXDDFGBO-SFHVURJKSA-N 1 1 390.911 3.219 50 0 GGAAMO Cc1ccc(Cl)cc1N1CC[NH+](C[C@@H](O)COc2ccc(F)cc2)CC1 ZINC000020109757 210316175 /nfs/dbraw/zinc/31/61/75/210316175.db2.gz GHYFHCPFDFUKIT-GOSISDBHSA-N 1 1 378.875 3.349 50 0 GGAAMO O[C@H](COc1ccc(F)cc1)C[NH+]1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000019834753 210302751 /nfs/dbraw/zinc/30/27/51/210302751.db2.gz POYZVUMNAYLQAL-INIZCTEOSA-N 1 1 396.865 3.176 50 0 GGAAMO C[NH+]1CCN(C(=O)c2cc(-c3ccc4c(c3)OCO4)nc3ccccc32)CC1 ZINC000019840597 210302582 /nfs/dbraw/zinc/30/25/82/210302582.db2.gz MTTGPGSNRCHEOG-UHFFFAOYSA-N 1 1 375.428 3.018 50 0 GGAAMO OCC[C@H]1CN(Cc2nc3c(s2)CCCC3)CC[N@@H+]1Cc1cccs1 ZINC000019838581 210302026 /nfs/dbraw/zinc/30/20/26/210302026.db2.gz ZKFGWSFDLLZGLB-HNNXBMFYSA-N 1 1 377.579 3.152 50 0 GGAAMO OCC[C@H]1CN(Cc2nc3c(s2)CCCC3)CC[N@H+]1Cc1cccs1 ZINC000019838581 210302029 /nfs/dbraw/zinc/30/20/29/210302029.db2.gz ZKFGWSFDLLZGLB-HNNXBMFYSA-N 1 1 377.579 3.152 50 0 GGAAMO CCN1CC[NH+](CCc2nc3cc(NC(=O)C4CCCCC4)ccc3n2C)CC1 ZINC000019828471 210300877 /nfs/dbraw/zinc/30/08/77/210300877.db2.gz VWHCCINYUAODRO-UHFFFAOYSA-N 1 1 397.567 3.272 50 0 GGAAMO OCC[C@@H]1CN(Cc2cccn2-c2ccccn2)CC[N@@H+]1Cc1ccc(F)cc1 ZINC000019794548 210298595 /nfs/dbraw/zinc/29/85/95/210298595.db2.gz OAEFCTFLTUDXOZ-OAQYLSRUSA-N 1 1 394.494 3.080 50 0 GGAAMO OCC[C@@H]1CN(Cc2cccn2-c2ccccn2)CC[N@H+]1Cc1ccc(F)cc1 ZINC000019794548 210298600 /nfs/dbraw/zinc/29/86/00/210298600.db2.gz OAEFCTFLTUDXOZ-OAQYLSRUSA-N 1 1 394.494 3.080 50 0 GGAAMO OCC[C@@H]1C[N@H+](Cc2cccn2-c2ccccn2)CCN1Cc1ccc(F)cc1 ZINC000019794548 210298603 /nfs/dbraw/zinc/29/86/03/210298603.db2.gz OAEFCTFLTUDXOZ-OAQYLSRUSA-N 1 1 394.494 3.080 50 0 GGAAMO OCC[C@@H]1C[N@@H+](Cc2cccn2-c2ccccn2)CCN1Cc1ccc(F)cc1 ZINC000019794548 210298607 /nfs/dbraw/zinc/29/86/07/210298607.db2.gz OAEFCTFLTUDXOZ-OAQYLSRUSA-N 1 1 394.494 3.080 50 0 GGAAMO OCC[C@@H]1CN(Cc2cccn2-c2ccccn2)CC[N@H+]1CC1CCCCC1 ZINC000019800531 210298390 /nfs/dbraw/zinc/29/83/90/210298390.db2.gz FZYTYLHOODBRJN-OAQYLSRUSA-N 1 1 382.552 3.321 50 0 GGAAMO OCC[C@H]1CN(Cc2cnn(-c3ccccc3F)c2)CC[N@H+]1Cc1ccccc1 ZINC000019792798 210297898 /nfs/dbraw/zinc/29/78/98/210297898.db2.gz WFKPEXMWZVRGFF-NRFANRHFSA-N 1 1 394.494 3.080 50 0 GGAAMO CC[NH+]1CCN(C(=O)c2c(=O)[nH]nc(-c3ccccc3)c2-c2ccccc2)CC1 ZINC000019793980 210297773 /nfs/dbraw/zinc/29/77/73/210297773.db2.gz XBRJOYFGUIRVPQ-UHFFFAOYSA-N 1 1 388.471 3.294 50 0 GGAAMO Cc1c(C)c(C)c(S(=O)(=O)NCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c(C)c1C ZINC000019924763 210306776 /nfs/dbraw/zinc/30/67/76/210306776.db2.gz CPPPBHLGDPMPDS-OKILXGFUSA-N 1 1 382.570 3.006 50 0 GGAAMO Cc1c(C)c(C)c(S(=O)(=O)NCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c(C)c1C ZINC000019924763 210306780 /nfs/dbraw/zinc/30/67/80/210306780.db2.gz CPPPBHLGDPMPDS-OKILXGFUSA-N 1 1 382.570 3.006 50 0 GGAAMO O=C1C[C@H]([NH+]2CCC(c3nc4ccccc4[nH]3)CC2)C(=O)N1c1cccc(F)c1 ZINC000019857528 210305522 /nfs/dbraw/zinc/30/55/22/210305522.db2.gz MIUQBDWTWMBCCE-IBGZPJMESA-N 1 1 392.434 3.214 50 0 GGAAMO CC(=O)Nc1sc2c(c1[C@@H](c1cccnc1)N1CC[NH+](C)CC1)CCCC2 ZINC000019880769 210305397 /nfs/dbraw/zinc/30/53/97/210305397.db2.gz AWGSLCWINCQBHD-HXUWFJFHSA-N 1 1 384.549 3.317 50 0 GGAAMO COc1ccccc1CN1CCC([NH+]2CCN(Cc3ccccc3)CC2)CC1 ZINC000019888970 210304329 /nfs/dbraw/zinc/30/43/29/210304329.db2.gz KIIGDOAZWICKEN-UHFFFAOYSA-N 1 1 379.548 3.477 50 0 GGAAMO CCn1c2ccccc2nc1CN1CC[N@@H+](Cc2ccc(C)cc2)[C@@H](CCO)C1 ZINC000019770695 210295766 /nfs/dbraw/zinc/29/57/66/210295766.db2.gz DMCSYLBTIDPSBK-NRFANRHFSA-N 1 1 392.547 3.433 50 0 GGAAMO CCOc1ccccc1C[N@@H+]1CCN(Cc2cc(F)cc(F)c2)C[C@@H]1CCO ZINC000019788909 210295569 /nfs/dbraw/zinc/29/55/69/210295569.db2.gz QSSVSNWQAPUNEP-NRFANRHFSA-N 1 1 390.474 3.432 50 0 GGAAMO CCOc1ccccc1C[N@H+]1CCN(Cc2cc(F)cc(F)c2)C[C@@H]1CCO ZINC000019788909 210295572 /nfs/dbraw/zinc/29/55/72/210295572.db2.gz QSSVSNWQAPUNEP-NRFANRHFSA-N 1 1 390.474 3.432 50 0 GGAAMO CCn1nc(C)c(C[N@H+]2CCC[C@H](N3CCN(c4ccccc4)CC3)C2)c1C ZINC000019782201 210295583 /nfs/dbraw/zinc/29/55/83/210295583.db2.gz RDBSBVOLNRIKGC-QFIPXVFZSA-N 1 1 381.568 3.306 50 0 GGAAMO CCn1nc(C)c(CN2CCC[C@H]([NH+]3CCN(c4ccccc4)CC3)C2)c1C ZINC000019782201 210295587 /nfs/dbraw/zinc/29/55/87/210295587.db2.gz RDBSBVOLNRIKGC-QFIPXVFZSA-N 1 1 381.568 3.306 50 0 GGAAMO Cc1ccc(N2C(=O)C[C@H](N3CC[NH+](Cc4ccccc4)CC3)C2=O)cc1Cl ZINC000019782425 210295156 /nfs/dbraw/zinc/29/51/56/210295156.db2.gz LTWJPGQCYKEKBP-FQEVSTJZSA-N 1 1 397.906 3.098 50 0 GGAAMO Fc1ccc(N2CCN([C@H]3CCC[N@H+](Cc4cccc5c4OCO5)C3)CC2)cc1 ZINC000019758913 210293028 /nfs/dbraw/zinc/29/30/28/210293028.db2.gz CURVGSWNCGULHT-NRFANRHFSA-N 1 1 397.494 3.341 50 0 GGAAMO Fc1ccc(N2CCN([C@H]3CCC[N@@H+](Cc4cccc5c4OCO5)C3)CC2)cc1 ZINC000019758913 210293033 /nfs/dbraw/zinc/29/30/33/210293033.db2.gz CURVGSWNCGULHT-NRFANRHFSA-N 1 1 397.494 3.341 50 0 GGAAMO OCC[C@@H]1CN(Cc2cccn2-c2ccc(Cl)cn2)CC[N@H+]1C1CCCC1 ZINC000019732649 210292007 /nfs/dbraw/zinc/29/20/07/210292007.db2.gz DUDYKAJLAPNPQZ-HXUWFJFHSA-N 1 1 388.943 3.337 50 0 GGAAMO CN(C[C@H]1CCCC[N@H+]1C)C(=O)c1cc(COc2ccc(F)cc2F)on1 ZINC000019745994 210291561 /nfs/dbraw/zinc/29/15/61/210291561.db2.gz JMPNTTWEWDVZEY-CQSZACIVSA-N 1 1 379.407 3.088 50 0 GGAAMO CC(=O)Nc1ccc(CN2CC[N@@H+](Cc3ccccc3C)[C@@H](CCO)C2)cc1 ZINC000019740506 210291260 /nfs/dbraw/zinc/29/12/60/210291260.db2.gz YCUDBWCXPLYGTP-QHCPKHFHSA-N 1 1 381.520 3.022 50 0 GGAAMO CC[N@@H+](Cc1c(C(=O)N2CCCCC2)nc2sccn12)C[C@@H]1CCCO1 ZINC000019733019 210290619 /nfs/dbraw/zinc/29/06/19/210290619.db2.gz JXYLMLLYYMFSBE-HNNXBMFYSA-N 1 1 376.526 3.023 50 0 GGAAMO CC[N@H+](Cc1c(C(=O)N2CCCCC2)nc2sccn12)C[C@@H]1CCCO1 ZINC000019733019 210290623 /nfs/dbraw/zinc/29/06/23/210290623.db2.gz JXYLMLLYYMFSBE-HNNXBMFYSA-N 1 1 376.526 3.023 50 0 GGAAMO Fc1ccc(-c2n[nH]cc2C[NH+]2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1 ZINC000019722263 210289246 /nfs/dbraw/zinc/28/92/46/210289246.db2.gz OQPYOMOGSMKIGF-UHFFFAOYSA-N 1 1 394.450 3.262 50 0 GGAAMO c1[nH]nc(-c2ccccc2)c1C[NH+]1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000019723017 210289341 /nfs/dbraw/zinc/28/93/41/210289341.db2.gz MCKMXWMMMOGMCK-UHFFFAOYSA-N 1 1 376.460 3.123 50 0 GGAAMO CC(C)[NH+]1CCC(N2CCN(Cc3cc4ccccc4o3)C[C@@H]2CCO)CC1 ZINC000019720412 210289061 /nfs/dbraw/zinc/28/90/61/210289061.db2.gz NZPFQBMQTPPIFH-NRFANRHFSA-N 1 1 385.552 3.174 50 0 GGAAMO O=C(Nc1ccnn1C1CC[NH+](Cc2nc3c(s2)CCCC3)CC1)C1CC1 ZINC000019607949 210274703 /nfs/dbraw/zinc/27/47/03/210274703.db2.gz QJPIYUPUKYFUAN-UHFFFAOYSA-N 1 1 385.537 3.404 50 0 GGAAMO COc1ccccc1N1CC[NH+](C[C@H](O)COc2cccc3ccccc32)CC1 ZINC000019632700 210278148 /nfs/dbraw/zinc/27/81/48/210278148.db2.gz HRRBJVNMSRJFHQ-FQEVSTJZSA-N 1 1 392.499 3.410 50 0 world GGAAMO O=C(c1nc2ccccn2c1CN1CCCC1)N1CC[NH+](C2CCCCC2)CC1 ZINC000019608043 210276052 /nfs/dbraw/zinc/27/60/52/210276052.db2.gz JNILZEKSKJKOKI-UHFFFAOYSA-N 1 1 395.551 3.021 50 0 GGAAMO CN(C[C@H]1CCC[N@@H+](CCc2ccc(Cl)cc2)C1)C(=O)c1ccc(=O)[nH]c1 ZINC000011840662 221130340 /nfs/dbraw/zinc/13/03/40/221130340.db2.gz JVOKLVRBPSTAAT-QGZVFWFLSA-N 1 1 387.911 3.467 50 0 GGAAMO O=C(NC1CCC1)C1CC[NH+](C2CCN(CCCc3ccccc3)CC2)CC1 ZINC000011839844 221130536 /nfs/dbraw/zinc/13/05/36/221130536.db2.gz FKUSRTFAFZCCKA-UHFFFAOYSA-N 1 1 383.580 3.464 50 0 GGAAMO O=C([C@@H]1CCC[N@H+](C2CCN(c3nc4ccccc4o3)CC2)C1)N1CCCC1 ZINC000011873877 221133471 /nfs/dbraw/zinc/13/34/71/221133471.db2.gz QLCCMDYIWZBANX-QGZVFWFLSA-N 1 1 382.508 3.131 50 0 GGAAMO Cc1cccc(C[N@H+]2CCC[C@H](C(=O)Nc3cccc(-n4cccn4)c3)C2)n1 ZINC000011935015 221139602 /nfs/dbraw/zinc/13/96/02/221139602.db2.gz QMIVORYJRPHTRD-SFHVURJKSA-N 1 1 375.476 3.426 50 0 GGAAMO Cc1ncoc1C(=O)NCC[N@H+]1Cc2ccccc2O[C@H](c2ccccc2)C1 ZINC000012122429 221154451 /nfs/dbraw/zinc/15/44/51/221154451.db2.gz HEWXLVBHIJYBJK-FQEVSTJZSA-N 1 1 377.444 3.349 50 0 GGAAMO Cc1ncoc1C(=O)NCC[N@@H+]1Cc2ccccc2O[C@H](c2ccccc2)C1 ZINC000012122429 221154455 /nfs/dbraw/zinc/15/44/55/221154455.db2.gz HEWXLVBHIJYBJK-FQEVSTJZSA-N 1 1 377.444 3.349 50 0 GGAAMO CC[C@H]1C[N@H+](CCNC(=O)Cc2cccc(C)c2)Cc2cc(OC)ccc2O1 ZINC000012182359 221162956 /nfs/dbraw/zinc/16/29/56/221162956.db2.gz WMUJWQCRWFRMAX-FQEVSTJZSA-N 1 1 382.504 3.336 50 0 GGAAMO CC[C@H]1C[N@@H+](CCNC(=O)Cc2cccc(C)c2)Cc2cc(OC)ccc2O1 ZINC000012182359 221162958 /nfs/dbraw/zinc/16/29/58/221162958.db2.gz WMUJWQCRWFRMAX-FQEVSTJZSA-N 1 1 382.504 3.336 50 0 GGAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)c1coc(COc2cccc(C(F)(F)F)c2)n1 ZINC000012717736 221221747 /nfs/dbraw/zinc/22/17/47/221221747.db2.gz HBGMRJSFHWVKAE-CQSZACIVSA-N 1 1 397.397 3.487 50 0 GGAAMO COc1ccc(CCNC(=O)N(C)C[C@@H]2CCC[N@H+]3CCCC[C@H]23)cc1OC ZINC000409414503 533482867 /nfs/dbraw/zinc/48/28/67/533482867.db2.gz SWKKWGSDOPDQIW-RBUKOAKNSA-N 1 1 389.540 3.152 50 0 biogenic GGAAMO COc1ccc(C[N@H+]2CCC[C@H](c3nnc(CN4CCCCC4)n3C)C2)cc1 ZINC000426397670 533558853 /nfs/dbraw/zinc/55/88/53/533558853.db2.gz YLMZYBDGAFDJJK-IBGZPJMESA-N 1 1 383.540 3.189 50 0 GGAAMO Cc1ccc(C(N)=O)c(N2CC[C@@]3(C2)CCC[N@@H+](CCCc2ccccc2)C3)n1 ZINC000426518818 533643885 /nfs/dbraw/zinc/64/38/85/533643885.db2.gz QIBJLQNBQNJPAL-DEOSSOPVSA-N 1 1 392.547 3.414 50 0 GGAAMO OCC[C@@H]1C[N@H+](C2CCN(c3ccccc3)CC2)CCN1Cc1ccccc1F ZINC000039358021 136153692 /nfs/dbraw/zinc/15/36/92/136153692.db2.gz YKZYITYJODBZAE-HSZRJFAPSA-N 1 1 397.538 3.363 50 0 GGAAMO Cc1ncc(C[NH+]2CCC3(CC2)Nc2ccccc2N(CC2CCC2)C3=O)n1C ZINC000063832587 136156463 /nfs/dbraw/zinc/15/64/63/136156463.db2.gz GJMIACRMERLQCP-UHFFFAOYSA-N 1 1 393.535 3.322 50 0 GGAAMO O[C@]12CCCC[C@H]1C[N@H+](C1CCN(c3ccc(-n4cccn4)cc3)CC1)CC2 ZINC000063872346 136156518 /nfs/dbraw/zinc/15/65/18/136156518.db2.gz NLNFDEYTBYCHIW-CVDCTZTESA-N 1 1 380.536 3.468 50 0 GGAAMO Cc1c(O)cccc1C(=O)N1CCC[C@@H]([NH+]2CCN(c3ccccc3F)CC2)C1 ZINC000072158795 136167325 /nfs/dbraw/zinc/16/73/25/136167325.db2.gz LKDPWFDGUKOPIB-GOSISDBHSA-N 1 1 397.494 3.267 50 0 GGAAMO COc1ccc(CC[N@@H+](C)[C@H]2CCCN(c3ncnc(C)c3C)C2)cc1OC ZINC000072174106 136167446 /nfs/dbraw/zinc/16/74/46/136167446.db2.gz OUJUZJIPFBABTC-IBGZPJMESA-N 1 1 384.524 3.254 50 0 GGAAMO OCC[C@H]1CN(c2cccc(C(F)(F)F)n2)CC[N@H+]1CCc1ccccc1 ZINC000072410410 136169732 /nfs/dbraw/zinc/16/97/32/136169732.db2.gz IGPKWRDETKPSOW-KRWDZBQOSA-N 1 1 379.426 3.216 50 0 GGAAMO COc1ccc(CC[N@@H+](C)[C@H]2CCCN(c3nc(C)cnc3C)C2)cc1OC ZINC000072429449 136170119 /nfs/dbraw/zinc/17/01/19/136170119.db2.gz FRQCKUJAHNTKJN-IBGZPJMESA-N 1 1 384.524 3.254 50 0 GGAAMO COc1ccc(CC[N@@H+](C)[C@@H]2CCCN(c3nc(C)cnc3C)C2)cc1OC ZINC000072429450 136170141 /nfs/dbraw/zinc/17/01/41/136170141.db2.gz FRQCKUJAHNTKJN-LJQANCHMSA-N 1 1 384.524 3.254 50 0 GGAAMO O=c1oc2ccccc2n1CC[N@H+]1CCCC12CCN(c1ccccn1)CC2 ZINC000072429542 136170148 /nfs/dbraw/zinc/17/01/48/136170148.db2.gz IZHFYLIPPLPLQS-UHFFFAOYSA-N 1 1 378.476 3.125 50 0 GGAAMO OCC[C@H]1CN(c2cc(C(F)(F)F)ccn2)CC[N@H+]1CCc1ccccc1 ZINC000072429987 136170158 /nfs/dbraw/zinc/17/01/58/136170158.db2.gz HBIPXHPXLNAGNY-SFHVURJKSA-N 1 1 379.426 3.216 50 0 GGAAMO Cc1ccc(C[N@H+]2CCN(c3ncccc3C(F)(F)F)C[C@@H]2CCO)cc1 ZINC000072477289 136171242 /nfs/dbraw/zinc/17/12/42/136171242.db2.gz AHOHYXHPWFMQRS-KRWDZBQOSA-N 1 1 379.426 3.482 50 0 GGAAMO Cc1ccc(C(=O)N2CCN(c3cc[nH+]c(N4CCCCC4)n3)CC2)cc1C ZINC000077136031 136171687 /nfs/dbraw/zinc/17/16/87/136171687.db2.gz SATANNCFYGBVLX-UHFFFAOYSA-N 1 1 379.508 3.046 50 0 GGAAMO c1cc([C@@H]2CCC[N@H+](Cc3cc4ccccc4nc3N3CCOCC3)C2)n[nH]1 ZINC000077453094 136172197 /nfs/dbraw/zinc/17/21/97/136172197.db2.gz XYDAJKBBFIZGTK-GOSISDBHSA-N 1 1 377.492 3.174 50 0 GGAAMO CCCC[C@@H]1CN(c2cccc(C)c2)C(=O)CN1C(=O)CCn1cc[nH+]c1C ZINC000082086706 136173259 /nfs/dbraw/zinc/17/32/59/136173259.db2.gz KODDWVOKEYPNDD-HXUWFJFHSA-N 1 1 382.508 3.324 50 0 GGAAMO CCCC[C@H]1CN(c2ccc(Cl)cc2)C(=O)CN1C(=O)Cn1cc[nH+]c1C ZINC000082087599 136173266 /nfs/dbraw/zinc/17/32/66/136173266.db2.gz ZTDZSGYJVBIOSK-SFHVURJKSA-N 1 1 388.899 3.279 50 0 GGAAMO Cc1c(F)cccc1NC(=O)N1CCN(c2cc[nH+]c(N3CCCCC3)n2)CC1 ZINC000082230729 136174583 /nfs/dbraw/zinc/17/45/83/136174583.db2.gz ACHAVPLLYRXPGP-UHFFFAOYSA-N 1 1 398.486 3.269 50 0 GGAAMO COc1ccccc1N1CC[NH+](CCN(c2ccccn2)c2ccccn2)CC1 ZINC000091291805 136176275 /nfs/dbraw/zinc/17/62/75/136176275.db2.gz NYUZXIZFSBDJBN-UHFFFAOYSA-N 1 1 389.503 3.446 50 0 in-vitro GGAAMO CCCc1cc(N2CCC3(CCC(=O)N(C[C@@H]4CCCO4)C3)CC2)nc(C)[nH+]1 ZINC000091452188 136176405 /nfs/dbraw/zinc/17/64/05/136176405.db2.gz VVHMAZINQWIXOP-IBGZPJMESA-N 1 1 386.540 3.126 50 0 GGAAMO CC[N@H+]1C[C@@H](c2ccccc2)CC2(CCN(c3cc(C(N)=O)ccn3)CC2)C1 ZINC000091625807 136176866 /nfs/dbraw/zinc/17/68/66/136176866.db2.gz LTFHSQVIGDTUNA-FQEVSTJZSA-N 1 1 378.520 3.277 50 0 GGAAMO CCc1cc(N[C@@H]2CC(C)(C)Cc3nc(N4CCC(O)CC4)ncc32)nc(C)[nH+]1 ZINC000091848920 136177202 /nfs/dbraw/zinc/17/72/02/136177202.db2.gz FOQZCWXQKWZBCM-GOSISDBHSA-N 1 1 396.539 3.224 50 0 GGAAMO COC[C@H]1CC[N@@H+](C2CCN(c3cc(C)nc(-c4ccccc4O)n3)CC2)C1 ZINC000095367088 136178335 /nfs/dbraw/zinc/17/83/35/136178335.db2.gz ATDJAHXWNWCODT-KRWDZBQOSA-N 1 1 382.508 3.095 50 0 GGAAMO COC[C@H]1CC[N@H+](C2CCN(c3cc(C)nc(-c4ccccc4O)n3)CC2)C1 ZINC000095367088 136178336 /nfs/dbraw/zinc/17/83/36/136178336.db2.gz ATDJAHXWNWCODT-KRWDZBQOSA-N 1 1 382.508 3.095 50 0 GGAAMO O=C(NC1CC1)c1ccnc(N2CCC[C@@H](c3[nH+]ccn3CC3CCC3)C2)c1 ZINC000095497862 136179625 /nfs/dbraw/zinc/17/96/25/136179625.db2.gz QVMXIQGXSSHYFK-GOSISDBHSA-N 1 1 379.508 3.354 50 0 GGAAMO O=C(CCC1CC[NH+](Cc2nccs2)CC1)N1CCN(c2ccccc2)CC1 ZINC000095500345 136179970 /nfs/dbraw/zinc/17/99/70/136179970.db2.gz LKTMCYJBSJUYEP-UHFFFAOYSA-N 1 1 398.576 3.484 50 0 GGAAMO O=C(c1ccc(N2CCC[C@@H](c3[nH+]ccn3CC3CC3)C2)nc1)N1CCCC1 ZINC000095505964 136180073 /nfs/dbraw/zinc/18/00/73/136180073.db2.gz ODCBACVHOLAWTM-LJQANCHMSA-N 1 1 379.508 3.308 50 0 GGAAMO COc1cccc(CNC(=O)CC[C@H]2CCCN(c3[nH+]cnc4[nH]ccc43)C2)c1 ZINC000095504969 136180178 /nfs/dbraw/zinc/18/01/78/136180178.db2.gz DDNUGCHXDFCJDN-MRXNPFEDSA-N 1 1 393.491 3.280 50 0 GGAAMO Cc1ccc(-c2ccnc(N3CCC([N@H+](C)Cc4ccon4)CC3)n2)c(C)n1 ZINC000095506701 136180585 /nfs/dbraw/zinc/18/05/85/136180585.db2.gz NXONTKHUOUNQJZ-UHFFFAOYSA-N 1 1 378.480 3.244 50 0 GGAAMO Cc1ccc(-c2ccnc(N3CCC([N@@H+](C)Cc4ccon4)CC3)n2)c(C)n1 ZINC000095506701 136180586 /nfs/dbraw/zinc/18/05/86/136180586.db2.gz NXONTKHUOUNQJZ-UHFFFAOYSA-N 1 1 378.480 3.244 50 0 GGAAMO Cc1cc(N2CCC([NH2+]C[C@H]3CCCCO3)CC2)nc(-c2ccccc2O)n1 ZINC000095511171 136180797 /nfs/dbraw/zinc/18/07/97/136180797.db2.gz TVPKMGDLBMRFAI-GOSISDBHSA-N 1 1 382.508 3.285 50 0 GGAAMO Cc1nc(N2CC[NH+](C)CC2)nc(C)c1NC(=O)Nc1ccc(F)c(Cl)c1 ZINC000096098667 136183730 /nfs/dbraw/zinc/18/37/30/136183730.db2.gz SHYWHVJKXWWWBY-UHFFFAOYSA-N 1 1 392.866 3.282 50 0 GGAAMO Cc1noc([C@H](C)[NH2+]C2CCN(c3cc(C)nc(-c4ccccc4)n3)CC2)n1 ZINC000096141754 136184335 /nfs/dbraw/zinc/18/43/35/136184335.db2.gz ULFHNPMWKKMWIZ-HNNXBMFYSA-N 1 1 378.480 3.463 50 0 GGAAMO Cc1noc([C@@H](C)[NH2+]C2CCN(c3cc(C)nc(-c4ccccc4)n3)CC2)n1 ZINC000096141755 136184386 /nfs/dbraw/zinc/18/43/86/136184386.db2.gz ULFHNPMWKKMWIZ-OAHLLOKOSA-N 1 1 378.480 3.463 50 0 GGAAMO COc1ccccc1N1C(=O)C[C@@H](Nc2ccc([NH+]3CCCCC3)cc2)C1=O ZINC000101389886 136189776 /nfs/dbraw/zinc/18/97/76/136189776.db2.gz ARJNKIVMNKVQOX-GOSISDBHSA-N 1 1 379.460 3.430 50 0 GGAAMO COc1cccc2ccc(N3CC[N@H+](Cc4ccc(F)cc4)[C@@H](CCO)C3)nc21 ZINC000107014568 136191559 /nfs/dbraw/zinc/19/15/59/136191559.db2.gz WOLGQJKAXXUTAJ-FQEVSTJZSA-N 1 1 395.478 3.456 50 0 GGAAMO COc1cccc2ccc(N3CC[N@@H+](Cc4ccc(F)cc4)[C@@H](CCO)C3)nc21 ZINC000107014568 136191560 /nfs/dbraw/zinc/19/15/60/136191560.db2.gz WOLGQJKAXXUTAJ-FQEVSTJZSA-N 1 1 395.478 3.456 50 0 GGAAMO OCC[C@H]1CN(c2ccc(-c3ccccc3)nn2)CC[N@H+]1Cc1cccs1 ZINC000106950888 136191650 /nfs/dbraw/zinc/19/16/50/136191650.db2.gz UBLFZVNLHFTTBC-SFHVURJKSA-N 1 1 380.517 3.278 50 0 GGAAMO OCC[C@H]1CN(c2nc(-c3ccccc3)nc3c2CCC3)CC[N@H+]1C1CCCC1 ZINC000106949870 136191694 /nfs/dbraw/zinc/19/16/94/136191694.db2.gz PWRJCXVBGYLVIG-FQEVSTJZSA-N 1 1 392.547 3.448 50 0 GGAAMO O=C(COc1cc[nH+]c2c1CCCC2)N1CCN(c2cccc(Cl)c2)CC1 ZINC000207011787 136199613 /nfs/dbraw/zinc/19/96/13/136199613.db2.gz SYCKJZWBXIWLRV-UHFFFAOYSA-N 1 1 385.895 3.341 50 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3.250 50 0 GGAAMO Cc1ccccc1CN1CC[N@H+](Cc2cccc(-n3cccn3)c2)C[C@H]1CCO ZINC000104531133 570259973 /nfs/dbraw/zinc/25/99/73/570259973.db2.gz DCSOOGQEDLCAMH-XMMPIXPASA-N 1 1 390.531 3.250 50 0 GGAAMO Cc1ccccc1CN1CC[N@@H+](Cc2cccc(-n3cccn3)c2)C[C@H]1CCO ZINC000104531133 570259977 /nfs/dbraw/zinc/25/99/77/570259977.db2.gz DCSOOGQEDLCAMH-XMMPIXPASA-N 1 1 390.531 3.250 50 0 GGAAMO O=C(COc1ccc(C(=O)N2CC[NH+](CCc3ccccc3)CC2)cc1)C1CC1 ZINC000049027497 570259946 /nfs/dbraw/zinc/25/99/46/570259946.db2.gz MMHSLAYXJJABGX-UHFFFAOYSA-N 1 1 392.499 3.045 50 0 GGAAMO COc1ccc(C[N@H+]2CCN(c3nc4ccccc4o3)C[C@H]2CCO)cc1C ZINC000106942932 570261280 /nfs/dbraw/zinc/26/12/80/570261280.db2.gz RTIXGVPVPHOJBP-GOSISDBHSA-N 1 1 381.476 3.218 50 0 GGAAMO Cc1nn(C)c2nc(-c3ccccn3)nc(N(C)CC[N@@H+]3CCCC[C@H]3C)c12 ZINC000106947410 570261299 /nfs/dbraw/zinc/26/12/99/570261299.db2.gz QNVPBHUTYSCGQL-OAHLLOKOSA-N 1 1 379.512 3.044 50 0 GGAAMO COCCCN(C[C@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)Cc1ccc(OC)cc1 ZINC000583652797 570262596 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CC(C)[N@@H+]1CCNC(=O)[C@@H]1CC(=O)N(C)Cc1ccc(Oc2ccccc2)cc1 ZINC000012303450 570300456 /nfs/dbraw/zinc/30/04/56/570300456.db2.gz AYDZAFHIQBQBOF-NRFANRHFSA-N 1 1 395.503 3.036 50 0 GGAAMO CC(C)[N@H+]1CCNC(=O)[C@@H]1CC(=O)N(C)Cc1ccc(Oc2ccccc2)cc1 ZINC000012303450 570300461 /nfs/dbraw/zinc/30/04/61/570300461.db2.gz AYDZAFHIQBQBOF-NRFANRHFSA-N 1 1 395.503 3.036 50 0 GGAAMO C[N@H+]1CCN(Cc2ccc(-c3cccc(Cl)c3)o2)C[C@@]12CCNC(=O)CC2 ZINC000107409304 570309523 /nfs/dbraw/zinc/30/95/23/570309523.db2.gz YDKDYXPOCNICFF-OAQYLSRUSA-N 1 1 387.911 3.386 50 0 GGAAMO CN1CC[N@H+](Cc2ccc(-c3cccc(Cl)c3)o2)C[C@@]12CCNC(=O)CC2 ZINC000107409304 570309526 /nfs/dbraw/zinc/30/95/26/570309526.db2.gz YDKDYXPOCNICFF-OAQYLSRUSA-N 1 1 387.911 3.386 50 0 GGAAMO CN1CC[N@@H+](Cc2ccc(-c3cccc(Cl)c3)o2)C[C@@]12CCNC(=O)CC2 ZINC000107409304 570309530 /nfs/dbraw/zinc/30/95/30/570309530.db2.gz YDKDYXPOCNICFF-OAQYLSRUSA-N 1 1 387.911 3.386 50 0 GGAAMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)Nc1ccc(-c2cc3ccccc3[nH]2)cc1 ZINC000108402828 570312806 /nfs/dbraw/zinc/31/28/06/570312806.db2.gz VSQHACNOKPMMLC-IBGZPJMESA-N 1 1 377.492 3.202 50 0 GGAAMO CC[C@H](C)[C@@H](NC(=O)[C@@H]1Cc2ccccc2C[NH2+]1)C(=O)Nc1ccc(C)cc1 ZINC000016034032 570313210 /nfs/dbraw/zinc/31/32/10/570313210.db2.gz CIURKCQXEYADEO-ORYQWCPZSA-N 1 1 379.504 3.179 50 0 GGAAMO CN(Cc1cccc2ccccc21)C(=O)C[C@@H]1C(=O)NCC[N@H+]1CC(C)(C)C ZINC000012432052 570325635 /nfs/dbraw/zinc/32/56/35/570325635.db2.gz DFXBQOXWZQTYFD-HXUWFJFHSA-N 1 1 381.520 3.035 50 0 GGAAMO CN(Cc1cccc2ccccc21)C(=O)C[C@@H]1C(=O)NCC[N@@H+]1CC(C)(C)C ZINC000012432052 570325639 /nfs/dbraw/zinc/32/56/39/570325639.db2.gz DFXBQOXWZQTYFD-HXUWFJFHSA-N 1 1 381.520 3.035 50 0 GGAAMO CCc1ccc(C[NH+]2CCN(CC(=O)Nc3ccc4nsnc4c3)CC2)cc1 ZINC000022752109 570326254 /nfs/dbraw/zinc/32/62/54/570326254.db2.gz FTRFLAWXBJLBCY-UHFFFAOYSA-N 1 1 395.532 3.010 50 0 GGAAMO OCC[C@H]1CN(Cc2ccc3cccc(F)c3n2)CC[N@H+]1CCc1ccccc1 ZINC000022851257 570330842 /nfs/dbraw/zinc/33/08/42/570330842.db2.gz ZDYGXPUHPZKTTE-QFIPXVFZSA-N 1 1 393.506 3.485 50 0 GGAAMO COc1ccccc1N1CCN([C@H]2CCC[N@@H+](Cc3cccc(O)c3)C2)CC1 ZINC000022851612 570331296 /nfs/dbraw/zinc/33/12/96/570331296.db2.gz NMAXAULVVUDLLX-FQEVSTJZSA-N 1 1 381.520 3.187 50 0 GGAAMO COc1ccccc1N1CC[NH+]([C@H]2CCCN(Cc3cccc(O)c3)C2)CC1 ZINC000022851612 570331299 /nfs/dbraw/zinc/33/12/99/570331299.db2.gz NMAXAULVVUDLLX-FQEVSTJZSA-N 1 1 381.520 3.187 50 0 GGAAMO CC(C)=CC[N@H+]1CCN(Cc2cnc(-c3ccccc3C)nc2)C[C@H]1CCO ZINC000022853596 570331524 /nfs/dbraw/zinc/33/15/24/570331524.db2.gz RLMWQLPGOHGWFE-OAQYLSRUSA-N 1 1 380.536 3.287 50 0 GGAAMO COc1cc(Cl)cc(CN2CC[N@@H+](CC(C)(C)C)[C@@H](CCO)C2)c1OC ZINC000022913014 570334047 /nfs/dbraw/zinc/33/40/47/570334047.db2.gz WSEGRYUGOUBQDG-KRWDZBQOSA-N 1 1 384.948 3.272 50 0 GGAAMO CCn1c2ccccc2nc1CN1CC[N@H+](Cc2ccsc2)[C@@H](CCO)C1 ZINC000022913925 570334703 /nfs/dbraw/zinc/33/47/03/570334703.db2.gz BQTDJKIBBVSBGJ-SFHVURJKSA-N 1 1 384.549 3.187 50 0 GGAAMO CCn1c2ccccc2nc1CN1CC[N@@H+](Cc2ccsc2)[C@@H](CCO)C1 ZINC000022913925 570334705 /nfs/dbraw/zinc/33/47/05/570334705.db2.gz BQTDJKIBBVSBGJ-SFHVURJKSA-N 1 1 384.549 3.187 50 0 GGAAMO CN(Cc1cccn1-c1ncccn1)[C@@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC000022920166 570335820 /nfs/dbraw/zinc/33/58/20/570335820.db2.gz CMRLMORYEOVGIH-OAQYLSRUSA-N 1 1 375.520 3.406 50 0 GGAAMO OCC[C@@H]1CN(Cc2nc3ccccc3s2)CC[N@H+]1CCc1ccccc1 ZINC000022932653 570337778 /nfs/dbraw/zinc/33/77/78/570337778.db2.gz UYHFVVCXAMAYKW-LJQANCHMSA-N 1 1 381.545 3.408 50 0 GGAAMO CC[C@@H](C)[C@H](NC(=O)[C@@H]1Cc2ccccc2C[NH2+]1)C(=O)Nc1cccc(C)c1 ZINC000035349317 570343473 /nfs/dbraw/zinc/34/34/73/570343473.db2.gz ONXHUFDSPWZSEG-CZAAIQMYSA-N 1 1 379.504 3.179 50 0 GGAAMO CC(C)C[C@@H](NC(=O)[C@@H]1Cc2ccccc2C[NH2+]1)C(=O)N[C@H](C)c1ccccc1 ZINC000035363907 570344259 /nfs/dbraw/zinc/34/42/59/570344259.db2.gz QCGAHBJAJFJKIV-VOQZNFBZSA-N 1 1 393.531 3.109 50 0 biogenic GGAAMO Cc1cc2oc(=O)cc(C[N@H+]3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)c2cc1C ZINC000023127128 570345205 /nfs/dbraw/zinc/34/52/05/570345205.db2.gz HIMWYTDPPNFTCN-AEFFLSMTSA-N 1 1 376.456 3.191 50 0 biogenic GGAAMO Cc1cc(C)c2oc(=O)cc(C[N@H+]3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)c2c1 ZINC000023127130 570345439 /nfs/dbraw/zinc/34/54/39/570345439.db2.gz UXEGYJSAUDZRFM-AEFFLSMTSA-N 1 1 376.456 3.191 50 0 biogenic GGAAMO COCC[N@H+](C)Cc1c(C(=O)N(C)CCc2ccccc2)nc2c(C)cccn12 ZINC000023144647 570346591 /nfs/dbraw/zinc/34/65/91/570346591.db2.gz IUTOSIUSAJXTHU-UHFFFAOYSA-N 1 1 394.519 3.036 50 0 GGAAMO COCC[N@@H+](C)Cc1c(C(=O)N(C)CCc2ccccc2)nc2c(C)cccn12 ZINC000023144647 570346593 /nfs/dbraw/zinc/34/65/93/570346593.db2.gz IUTOSIUSAJXTHU-UHFFFAOYSA-N 1 1 394.519 3.036 50 0 GGAAMO O=C(C[N@H+]1CC[C@@H](c2ccccc2)C1)NCCc1csc(-c2cccnc2)n1 ZINC000219285780 570351201 /nfs/dbraw/zinc/35/12/01/570351201.db2.gz HYXZSJVGJIUPAM-LJQANCHMSA-N 1 1 392.528 3.353 50 0 GGAAMO COc1ccc(/C=C/C[N@@H+]2CCN(Cc3ccccc3F)[C@@H](CCO)C2)cc1 ZINC000023359827 570356790 /nfs/dbraw/zinc/35/67/90/570356790.db2.gz RDSBDPUMQICHNJ-FNEOHHHZSA-N 1 1 384.495 3.416 50 0 GGAAMO COc1ccc(/C=C/C[N@H+]2CCN(Cc3ccccc3F)[C@@H](CCO)C2)cc1 ZINC000023359827 570356791 /nfs/dbraw/zinc/35/67/91/570356791.db2.gz RDSBDPUMQICHNJ-FNEOHHHZSA-N 1 1 384.495 3.416 50 0 GGAAMO COc1ccc(/C=C/CN2CC[N@H+](Cc3ccccc3F)[C@@H](CCO)C2)cc1 ZINC000023359827 570356793 /nfs/dbraw/zinc/35/67/93/570356793.db2.gz RDSBDPUMQICHNJ-FNEOHHHZSA-N 1 1 384.495 3.416 50 0 GGAAMO COc1ccc(/C=C/CN2CC[N@@H+](Cc3ccccc3F)[C@@H](CCO)C2)cc1 ZINC000023359827 570356794 /nfs/dbraw/zinc/35/67/94/570356794.db2.gz RDSBDPUMQICHNJ-FNEOHHHZSA-N 1 1 384.495 3.416 50 0 GGAAMO CCOc1ccccc1CN1CC[N@H+](Cc2ccc(OC)cc2)C[C@@H]1CCO ZINC000023361355 570356978 /nfs/dbraw/zinc/35/69/78/570356978.db2.gz ZBNYJGNHSHPBJV-NRFANRHFSA-N 1 1 384.520 3.163 50 0 GGAAMO CCOc1ccccc1CN1CC[N@@H+](Cc2ccc(OC)cc2)C[C@@H]1CCO ZINC000023361355 570356982 /nfs/dbraw/zinc/35/69/82/570356982.db2.gz ZBNYJGNHSHPBJV-NRFANRHFSA-N 1 1 384.520 3.163 50 0 GGAAMO CCOc1ccccc1C[N@@H+]1CCN(Cc2ccc(OC)cc2)C[C@@H]1CCO ZINC000023361355 570356984 /nfs/dbraw/zinc/35/69/84/570356984.db2.gz ZBNYJGNHSHPBJV-NRFANRHFSA-N 1 1 384.520 3.163 50 0 GGAAMO CCOc1ccccc1C[N@H+]1CCN(Cc2ccc(OC)cc2)C[C@@H]1CCO ZINC000023361355 570356986 /nfs/dbraw/zinc/35/69/86/570356986.db2.gz ZBNYJGNHSHPBJV-NRFANRHFSA-N 1 1 384.520 3.163 50 0 GGAAMO Cn1cc(CN2CC[N@H+](C3CCCCC3)[C@@H](CCO)C2)c(-c2ccccc2)n1 ZINC000023372878 570357630 /nfs/dbraw/zinc/35/76/30/570357630.db2.gz IXKKLYHPLIYFLU-QFIPXVFZSA-N 1 1 382.552 3.288 50 0 GGAAMO Cc1ccccc1C[N@H+]1CCN(Cc2cccc(-n3cccn3)c2)C[C@@H]1CCO ZINC000023373250 570357639 /nfs/dbraw/zinc/35/76/39/570357639.db2.gz DCSOOGQEDLCAMH-DEOSSOPVSA-N 1 1 390.531 3.250 50 0 GGAAMO Cc1ccccc1CN1CC[N@H+](Cc2cccc(-n3cccn3)c2)C[C@@H]1CCO ZINC000023373250 570357645 /nfs/dbraw/zinc/35/76/45/570357645.db2.gz DCSOOGQEDLCAMH-DEOSSOPVSA-N 1 1 390.531 3.250 50 0 GGAAMO Cc1ccccc1CN1CC[N@@H+](Cc2cccc(-n3cccn3)c2)C[C@@H]1CCO ZINC000023373250 570357648 /nfs/dbraw/zinc/35/76/48/570357648.db2.gz DCSOOGQEDLCAMH-DEOSSOPVSA-N 1 1 390.531 3.250 50 0 GGAAMO COc1cc(CN2CC[N@@H+](Cc3ccc(C)cc3)[C@@H](CCO)C2)cc(OC)c1 ZINC000023373559 570357848 /nfs/dbraw/zinc/35/78/48/570357848.db2.gz LMQYPOFINDJNOL-NRFANRHFSA-N 1 1 384.520 3.081 50 0 GGAAMO Cn1cc(C[N@@H+]2CCN(Cc3ccsc3)[C@@H](CCO)C2)c(-c2ccccc2)n1 ZINC000023373621 570357870 /nfs/dbraw/zinc/35/78/70/570357870.db2.gz NXKMCRGCECXAGC-NRFANRHFSA-N 1 1 396.560 3.217 50 0 GGAAMO Cn1cc(C[N@H+]2CCN(Cc3ccsc3)[C@@H](CCO)C2)c(-c2ccccc2)n1 ZINC000023373621 570357871 /nfs/dbraw/zinc/35/78/71/570357871.db2.gz NXKMCRGCECXAGC-NRFANRHFSA-N 1 1 396.560 3.217 50 0 GGAAMO Cn1cc(CN2CC[N@H+](Cc3ccsc3)[C@@H](CCO)C2)c(-c2ccccc2)n1 ZINC000023373621 570357872 /nfs/dbraw/zinc/35/78/72/570357872.db2.gz NXKMCRGCECXAGC-NRFANRHFSA-N 1 1 396.560 3.217 50 0 GGAAMO Cn1cc(CN2CC[N@@H+](Cc3ccsc3)[C@@H](CCO)C2)c(-c2ccccc2)n1 ZINC000023373621 570357874 /nfs/dbraw/zinc/35/78/74/570357874.db2.gz NXKMCRGCECXAGC-NRFANRHFSA-N 1 1 396.560 3.217 50 0 GGAAMO CCOC(=O)N1CCN([C@@H]2CCC[N@@H+](C/C=C/c3ccc(F)cc3)C2)CC1 ZINC000023374943 570358312 /nfs/dbraw/zinc/35/83/12/570358312.db2.gz KRDNKEQXJDRMJE-HQMUEHRGSA-N 1 1 375.488 3.077 50 0 GGAAMO COc1ccc(C[N@H+]2CCN(Cc3ccc(O)cc3)C[C@@H]2CCO)c(C)c1C ZINC000023375293 570358887 /nfs/dbraw/zinc/35/88/87/570358887.db2.gz RJKXEBVMISEJOE-NRFANRHFSA-N 1 1 384.520 3.086 50 0 GGAAMO COc1ccc(CN2CC[N@H+](Cc3ccc(O)cc3)C[C@@H]2CCO)c(C)c1C ZINC000023375293 570358892 /nfs/dbraw/zinc/35/88/92/570358892.db2.gz RJKXEBVMISEJOE-NRFANRHFSA-N 1 1 384.520 3.086 50 0 GGAAMO COc1ccc(CN2CC[N@@H+](Cc3ccc(O)cc3)C[C@@H]2CCO)c(C)c1C ZINC000023375293 570358893 /nfs/dbraw/zinc/35/88/93/570358893.db2.gz RJKXEBVMISEJOE-NRFANRHFSA-N 1 1 384.520 3.086 50 0 GGAAMO COc1cc(OC)c(OC)cc1C[N@H+]1CCC[C@@H](C(=O)N2CCCCCC2)C1 ZINC000004177176 570361244 /nfs/dbraw/zinc/36/12/44/570361244.db2.gz BXGOTBABQFFIJD-QGZVFWFLSA-N 1 1 390.524 3.327 50 0 GGAAMO CN(Cc1nncn1C)C(=O)c1ccc([C@H]2CCC[N@@H+]2Cc2ccco2)s1 ZINC000023431277 570362511 /nfs/dbraw/zinc/36/25/11/570362511.db2.gz BVPRIBQXSGWVFM-OAHLLOKOSA-N 1 1 385.493 3.079 50 0 GGAAMO CN(Cc1nncn1C)C(=O)c1ccc([C@H]2CCC[N@H+]2Cc2ccco2)s1 ZINC000023431277 570362515 /nfs/dbraw/zinc/36/25/15/570362515.db2.gz BVPRIBQXSGWVFM-OAHLLOKOSA-N 1 1 385.493 3.079 50 0 GGAAMO COc1ccc([C@@H](NC(=O)N2CC[NH+](CCc3ccncc3)CC2)C(C)C)cc1 ZINC000604418455 570362548 /nfs/dbraw/zinc/36/25/48/570362548.db2.gz DWAMKMLTPQLLML-QFIPXVFZSA-N 1 1 396.535 3.357 50 0 GGAAMO O=C(C[C@@H]1[NH2+][C@H]2CCCC[C@H]2NC1=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000004223167 570363477 /nfs/dbraw/zinc/36/34/77/570363477.db2.gz MZIKDLUMHDHRPV-ZCNNSNEGSA-N 1 1 379.460 3.207 50 0 GGAAMO CCc1[nH+]ccn1CCC(=O)N1CCc2[nH]nc(-c3ccc(F)cc3F)c2C1 ZINC000023506812 570363946 /nfs/dbraw/zinc/36/39/46/570363946.db2.gz WFSBILKMCLLMHK-UHFFFAOYSA-N 1 1 385.418 3.089 50 0 GGAAMO Cc1ncc2c(c1-c1noc(-c3ccnnc3)n1)CC[N@@H+](Cc1ccccc1)C2 ZINC000023506768 570364160 /nfs/dbraw/zinc/36/41/60/570364160.db2.gz DDWPLCSULNHBTK-UHFFFAOYSA-N 1 1 384.443 3.455 50 0 GGAAMO Cc1ncc2c(c1-c1noc(-c3ccnnc3)n1)CC[N@H+](Cc1ccccc1)C2 ZINC000023506768 570364163 /nfs/dbraw/zinc/36/41/63/570364163.db2.gz DDWPLCSULNHBTK-UHFFFAOYSA-N 1 1 384.443 3.455 50 0 GGAAMO Cc1nonc1C[N@@H+](C)C1CCN(c2cccc(-c3ccnc(C)n3)c2)CC1 ZINC000023581484 570365988 /nfs/dbraw/zinc/36/59/88/570365988.db2.gz QDBATDSXRSYLKX-UHFFFAOYSA-N 1 1 378.480 3.244 50 0 GGAAMO Cc1nonc1C[N@H+](C)C1CCN(c2cccc(-c3ccnc(C)n3)c2)CC1 ZINC000023581484 570365994 /nfs/dbraw/zinc/36/59/94/570365994.db2.gz QDBATDSXRSYLKX-UHFFFAOYSA-N 1 1 378.480 3.244 50 0 GGAAMO COc1cc(OC)cc(C(=O)Nc2ccc(N3CC[NH+](C)CC3)c(Cl)c2)c1 ZINC000004412834 570374094 /nfs/dbraw/zinc/37/40/94/570374094.db2.gz HMQCNCXFISCOCR-UHFFFAOYSA-N 1 1 389.883 3.361 50 0 GGAAMO CC[C@@H](C)[C@H](NC(=O)[C@@H]1Cc2ccccc2C[NH2+]1)C(=O)N[C@H](C)c1ccccc1 ZINC000035485126 570374328 /nfs/dbraw/zinc/37/43/28/570374328.db2.gz OILOJSRFFAWWFA-YAKVFXAGSA-N 1 1 393.531 3.109 50 0 biogenic GGAAMO CC[C@H](C)[C@H](NC(=O)[C@@H]1Cc2ccccc2C[NH2+]1)C(=O)N[C@@H](C)c1ccccc1 ZINC000035485124 570374433 /nfs/dbraw/zinc/37/44/33/570374433.db2.gz OILOJSRFFAWWFA-FHQLIMNDSA-N 1 1 393.531 3.109 50 0 biogenic GGAAMO Cc1nnc(CCNC(=O)c2ccc(C[N@H+]3CCc4ccccc4C3)cc2)s1 ZINC000220565668 570388457 /nfs/dbraw/zinc/38/84/57/570388457.db2.gz XLPUTCOVMSUSOP-UHFFFAOYSA-N 1 1 392.528 3.377 50 0 GGAAMO Nc1nc(CCCNC(=O)[C@H](c2ccc(F)cc2)[NH+]2CCCCC2)cs1 ZINC000221160092 570391381 /nfs/dbraw/zinc/39/13/81/570391381.db2.gz DKZZLPWBCZPDJH-KRWDZBQOSA-N 1 1 376.501 3.140 50 0 GGAAMO COc1ccc(CC[NH+]2CCN(C(=S)Nc3ccc(OC)cc3)CC2)cc1 ZINC000004708758 570396529 /nfs/dbraw/zinc/39/65/29/570396529.db2.gz LKJINZHLDHBCSE-UHFFFAOYSA-N 1 1 385.533 3.261 50 0 GGAAMO Cc1nccn1-c1cc(NCCNC(=O)Nc2cccc(Cl)c2C)[nH+]c(C)n1 ZINC000035598117 570400534 /nfs/dbraw/zinc/40/05/34/570400534.db2.gz RYQIHIITDQVFDQ-UHFFFAOYSA-N 1 1 399.886 3.475 50 0 GGAAMO COc1ccc([C@H]2[C@H]3CCCC[C@@]3(O)CC[N@@H+]2CC(=O)NCc2ccco2)cc1 ZINC000017028533 570405504 /nfs/dbraw/zinc/40/55/04/570405504.db2.gz VHXFHGSCIYIYMT-AKIFATBCSA-N 1 1 398.503 3.273 50 0 biogenic GGAAMO COc1ccc([C@H]2[C@H]3CCCC[C@@]3(O)CC[N@H+]2CC(=O)NCc2ccco2)cc1 ZINC000017028533 570405506 /nfs/dbraw/zinc/40/55/06/570405506.db2.gz VHXFHGSCIYIYMT-AKIFATBCSA-N 1 1 398.503 3.273 50 0 biogenic GGAAMO COc1ccccc1N1C(=O)C[C@H](Nc2ccc([NH+]3CCCCC3)cc2)C1=O ZINC000004810435 570407371 /nfs/dbraw/zinc/40/73/71/570407371.db2.gz ARJNKIVMNKVQOX-SFHVURJKSA-N 1 1 379.460 3.430 50 0 GGAAMO COCCN(C[C@@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)Cc1c[nH]c2ccccc12 ZINC000524729331 570420622 /nfs/dbraw/zinc/42/06/22/570420622.db2.gz OQTQCTAIEKWQPB-PGRDOPGGSA-N 1 1 383.536 3.450 50 0 biogenic GGAAMO COc1ccc(-c2noc(-c3ccc(N4CC[N@H+]5CCC[C@H]5C4)nc3)n2)cc1 ZINC000243932662 570433228 /nfs/dbraw/zinc/43/32/28/570433228.db2.gz BXOQRMJUOANRJS-KRWDZBQOSA-N 1 1 377.448 3.092 50 0 GGAAMO CC[C@@H](Oc1ccccc1F)C(=O)NCC1(N2CC[NH+](C)CC2)CCCCC1 ZINC000027741713 570441162 /nfs/dbraw/zinc/44/11/62/570441162.db2.gz NDEIHZJKANZBMK-LJQANCHMSA-N 1 1 391.531 3.050 50 0 GGAAMO CC[C@@H](Oc1ccc(F)cc1)C(=O)NCC1(N2CC[NH+](C)CC2)CCCCC1 ZINC000027741731 570441240 /nfs/dbraw/zinc/44/12/40/570441240.db2.gz BYTXMEJOSTZIBR-HXUWFJFHSA-N 1 1 391.531 3.050 50 0 GGAAMO Cc1ccc(O[C@H](C)C(=O)NCC2(N3CC[NH+](C)CC3)CCCCC2)cc1C ZINC000027741771 570441249 /nfs/dbraw/zinc/44/12/49/570441249.db2.gz NXIOWHCSXDXHDQ-HXUWFJFHSA-N 1 1 387.568 3.137 50 0 GGAAMO CN(C(=O)c1coc(COc2cccc(C(F)(F)F)c2)n1)[C@@H]1CC[N@@H+](C)C1 ZINC000011948050 570450020 /nfs/dbraw/zinc/45/00/20/570450020.db2.gz KTCMKGMPTHNCBW-CYBMUJFWSA-N 1 1 383.370 3.049 50 0 GGAAMO CC[NH+]1CCN(C2(CNC(=O)COc3ccccc3Cl)CCCCC2)CC1 ZINC000028291563 570456525 /nfs/dbraw/zinc/45/65/25/570456525.db2.gz PREQSSFNQFEURJ-UHFFFAOYSA-N 1 1 393.959 3.175 50 0 GGAAMO CC[NH+]1CCN(C2(CNC(=O)[C@@H](C)Oc3ccc(F)cc3)CCCCC2)CC1 ZINC000028403179 570459214 /nfs/dbraw/zinc/45/92/14/570459214.db2.gz RJKCWJULSPGJHM-GOSISDBHSA-N 1 1 391.531 3.050 50 0 GGAAMO Cc1ccc2[nH]c([C@H]3CCC[N@@H+](Cc4cc(=O)n5ccsc5n4)C3)nc2c1 ZINC000130795396 570464861 /nfs/dbraw/zinc/46/48/61/570464861.db2.gz KHQITEPSOGELDR-AWEZNQCLSA-N 1 1 379.489 3.320 50 0 GGAAMO Cc1ccc2nc([C@H]3CCC[N@H+](Cc4cc(=O)n5ccsc5n4)C3)[nH]c2c1 ZINC000130795396 570464868 /nfs/dbraw/zinc/46/48/68/570464868.db2.gz KHQITEPSOGELDR-AWEZNQCLSA-N 1 1 379.489 3.320 50 0 GGAAMO Cc1ccc2nc([C@H]3CCC[N@@H+](Cc4cc(=O)n5ccsc5n4)C3)[nH]c2c1 ZINC000130795396 570464873 /nfs/dbraw/zinc/46/48/73/570464873.db2.gz KHQITEPSOGELDR-AWEZNQCLSA-N 1 1 379.489 3.320 50 0 GGAAMO CCc1ccc(NC(=O)[C@H](NC(=O)[C@@H]2Cc3ccccc3C[NH2+]2)[C@@H](C)CC)cc1 ZINC000035895198 570474853 /nfs/dbraw/zinc/47/48/53/570474853.db2.gz SEICFKQJPDFDPF-WQTXXOFMSA-N 1 1 393.531 3.433 50 0 GGAAMO CC(C)[N@H+]1CCCN(C(=O)C2CCN(c3ccc(C(F)(F)F)nc3)CC2)CC1 ZINC000006717744 570489697 /nfs/dbraw/zinc/48/96/97/570489697.db2.gz AHHPKVQYHXNBQN-UHFFFAOYSA-N 1 1 398.473 3.260 50 0 in-vivo GGAAMO CCOC(=O)[C@]12CCN(C(=O)OC(C)(C)C)[C@H]1C[N@@H+](Cc1ccccc1)CC2 ZINC000380913463 570491339 /nfs/dbraw/zinc/49/13/39/570491339.db2.gz ORNJAGQPVINUCJ-PGRDOPGGSA-N 1 1 388.508 3.451 50 0 GGAAMO Cc1cnccc1CN(C)C(=O)NC[C@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC000426623227 570502024 /nfs/dbraw/zinc/50/20/24/570502024.db2.gz NEYRYALJYXSAHE-OAQYLSRUSA-N 1 1 380.536 3.486 50 0 GGAAMO Cc1[nH+]ccn1CC[C@@H]1CCCCN1C(=O)NCc1[nH]nc2c1CCCCC2 ZINC000426628726 570503173 /nfs/dbraw/zinc/50/31/73/570503173.db2.gz GWFPYBSSKKTXBW-KRWDZBQOSA-N 1 1 384.528 3.338 50 0 GGAAMO O=C1C[C@H]([N@H+]2CCCC[C@@H]2CCO)C(=O)N1c1ccc(Oc2ccccc2)cc1 ZINC000036006462 570510345 /nfs/dbraw/zinc/51/03/45/570510345.db2.gz GXSPUGSBLXUWIE-UTKZUKDTSA-N 1 1 394.471 3.348 50 0 GGAAMO O=C1C[C@H]([N@@H+]2CCCC[C@@H]2CCO)C(=O)N1c1ccc(Oc2ccccc2)cc1 ZINC000036006462 570510349 /nfs/dbraw/zinc/51/03/49/570510349.db2.gz GXSPUGSBLXUWIE-UTKZUKDTSA-N 1 1 394.471 3.348 50 0 GGAAMO Cc1ccc(C(=O)N2CCN(c3cc(N4CCCCC4)nc(C)[nH+]3)CC2)cc1 ZINC000033318277 570525103 /nfs/dbraw/zinc/52/51/03/570525103.db2.gz DNKJXBMHHNBYIQ-UHFFFAOYSA-N 1 1 379.508 3.046 50 0 GGAAMO C[NH+]1CCN(c2ccc(-c3ccc(NC(=O)c4ccccc4F)cc3)nn2)CC1 ZINC000005259412 570527682 /nfs/dbraw/zinc/52/76/82/570527682.db2.gz VZVWWCDYNXEUPN-UHFFFAOYSA-N 1 1 391.450 3.287 50 0 GGAAMO O=C(CN1CC[NH+](C[C@H]2CCCO2)CC1)Nc1ccccc1Oc1ccccc1 ZINC000022790276 570548013 /nfs/dbraw/zinc/54/80/13/570548013.db2.gz VDTLLMDKMRITMI-HXUWFJFHSA-N 1 1 395.503 3.214 50 0 GGAAMO O[C@@H](COC12CC3CC(CC(C3)C1)C2)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000022823030 570554009 /nfs/dbraw/zinc/55/40/09/570554009.db2.gz SWMPFFKHNWPFQS-XCBYWJNASA-N 1 1 384.564 3.151 50 0 GGAAMO O[C@H](COC12CC3CC(CC(C3)C1)C2)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000022823022 570554031 /nfs/dbraw/zinc/55/40/31/570554031.db2.gz SWMPFFKHNWPFQS-NEUFXUDDSA-N 1 1 384.564 3.151 50 0 GGAAMO O[C@@H](COCC12CC3CC(CC(C3)C1)C2)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000022822288 570554148 /nfs/dbraw/zinc/55/41/48/570554148.db2.gz LFNIBTNXWVEVFP-NIRFSVBPSA-N 1 1 398.591 3.398 50 0 GGAAMO Cc1[nH+]ccn1-c1cc(NCCNC(=O)Nc2ccc(C)cc2Cl)ncn1 ZINC000035598130 570555870 /nfs/dbraw/zinc/55/58/70/570555870.db2.gz HPVKFZCQOUYUJA-UHFFFAOYSA-N 1 1 385.859 3.166 50 0 GGAAMO COc1ccc(/C=C/C(=O)N[C@H]2CCC[N@H+](C3Cc4ccccc4C3)C2)cc1 ZINC000011662519 570577337 /nfs/dbraw/zinc/57/73/37/570577337.db2.gz WDZHMFBFHZMYJK-BGVYSJOJSA-N 1 1 376.500 3.456 50 0 GGAAMO CCn1ccnc1C[N@H+]1CC[C@]2(C1)CCCN(Cc1cccc(F)c1F)C2=O ZINC000011663397 570577805 /nfs/dbraw/zinc/57/78/05/570577805.db2.gz FMAUNKWPOZLQNK-NRFANRHFSA-N 1 1 388.462 3.196 50 0 GGAAMO CCn1ccnc1C[N@H+]1CC[C@@]2(C1)CCCN(CCCc1ccccc1)C2=O ZINC000011663841 570577958 /nfs/dbraw/zinc/57/79/58/570577958.db2.gz HMIRDTBJMIVSQO-HSZRJFAPSA-N 1 1 380.536 3.350 50 0 GGAAMO Cc1nn(C(C)C)c(C)c1CN1CC[N@H+](Cc2ccsc2)[C@H](CCO)C1 ZINC000038149498 570578582 /nfs/dbraw/zinc/57/85/82/570578582.db2.gz YIYYNWNCJZVDNK-LJQANCHMSA-N 1 1 376.570 3.211 50 0 GGAAMO Cc1nn(C(C)C)c(C)c1CN1CC[N@@H+](Cc2ccsc2)[C@H](CCO)C1 ZINC000038149498 570578587 /nfs/dbraw/zinc/57/85/87/570578587.db2.gz YIYYNWNCJZVDNK-LJQANCHMSA-N 1 1 376.570 3.211 50 0 GGAAMO O=C(NCc1ccncc1)[C@@H]1CCC[N@H+](C2CCN(Cc3ccccc3)CC2)C1 ZINC000011665021 570579083 /nfs/dbraw/zinc/57/90/83/570579083.db2.gz ZYWFOHLMCZLRPS-JOCHJYFZSA-N 1 1 392.547 3.074 50 0 GGAAMO Cc1cc(C)n2nc(C(=O)N(C)[C@@H]3CCC[N@H+](Cc4ccccc4F)C3)cc2n1 ZINC000011719921 570581153 /nfs/dbraw/zinc/58/11/53/570581153.db2.gz OYIFOVOKWLWPEL-GOSISDBHSA-N 1 1 395.482 3.222 50 0 GGAAMO Cc1cc(C)n2nc(C(=O)N(C)[C@@H]3CCC[N@@H+](Cc4ccccc4F)C3)cc2n1 ZINC000011719921 570581155 /nfs/dbraw/zinc/58/11/55/570581155.db2.gz OYIFOVOKWLWPEL-GOSISDBHSA-N 1 1 395.482 3.222 50 0 GGAAMO O[C@@H]1CCC[N@@H+](Cc2cn(Cc3ccccc3)nc2-c2ccc3c(c2)OCO3)C1 ZINC000011762035 570581548 /nfs/dbraw/zinc/58/15/48/570581548.db2.gz AWJHXGNVMAWKTK-HXUWFJFHSA-N 1 1 391.471 3.284 50 0 GGAAMO CC(C)CNC(=O)[C@H]1CCC[N@@H+](C2CCN(C3Cc4ccccc4C3)CC2)C1 ZINC000011753894 570581582 /nfs/dbraw/zinc/58/15/82/570581582.db2.gz SMCGLIQUNNXJEX-NRFANRHFSA-N 1 1 383.580 3.102 50 0 GGAAMO CC(C)CNC(=O)[C@H]1CCC[N@H+](C2CCN(C3Cc4ccccc4C3)CC2)C1 ZINC000011753894 570581584 /nfs/dbraw/zinc/58/15/84/570581584.db2.gz SMCGLIQUNNXJEX-NRFANRHFSA-N 1 1 383.580 3.102 50 0 GGAAMO CC[C@@H](C)C(=O)NCc1nnc2n1CC[N@H+](Cc1ccc3ccccc3c1)CC2 ZINC000011870322 570588942 /nfs/dbraw/zinc/58/89/42/570588942.db2.gz RVNDFRBFXRRPLY-QGZVFWFLSA-N 1 1 391.519 3.152 50 0 GGAAMO COc1cc(CN2CC[N@@H+](Cc3cc(C)ccc3C)C[C@H]2CCO)cc(OC)c1 ZINC000039380040 570590021 /nfs/dbraw/zinc/59/00/21/570590021.db2.gz BWWQRURGYWIFOY-JOCHJYFZSA-N 1 1 398.547 3.389 50 0 GGAAMO Cc1cc(-n2cccn2)ccc1C[N@H+]1CCN(Cc2cccs2)[C@H](CCO)C1 ZINC000039364469 570590193 /nfs/dbraw/zinc/59/01/93/570590193.db2.gz FUTFDOCOXRDNIR-OAQYLSRUSA-N 1 1 396.560 3.311 50 0 GGAAMO Cc1cc(-n2cccn2)ccc1CN1CC[N@H+](Cc2cccs2)[C@H](CCO)C1 ZINC000039364469 570590194 /nfs/dbraw/zinc/59/01/94/570590194.db2.gz FUTFDOCOXRDNIR-OAQYLSRUSA-N 1 1 396.560 3.311 50 0 GGAAMO Cc1cc(-n2cccn2)ccc1CN1CC[N@@H+](Cc2cccs2)[C@H](CCO)C1 ZINC000039364469 570590197 /nfs/dbraw/zinc/59/01/97/570590197.db2.gz FUTFDOCOXRDNIR-OAQYLSRUSA-N 1 1 396.560 3.311 50 0 GGAAMO COc1cccc(CN2CC[N@@H+](CC3CCCCC3)[C@H](CCO)C2)c1OC ZINC000039406633 570590548 /nfs/dbraw/zinc/59/05/48/570590548.db2.gz VHSNIPHEZBPJJD-HXUWFJFHSA-N 1 1 376.541 3.153 50 0 GGAAMO Cc1ccc(-n2cccn2)c(CN2CC[N@@H+](Cc3ccccc3)[C@H](CCO)C2)c1 ZINC000039400455 570590614 /nfs/dbraw/zinc/59/06/14/570590614.db2.gz MNRSATCGFNNSKA-HSZRJFAPSA-N 1 1 390.531 3.250 50 0 GGAAMO Cc1ccc(-n2cccn2)c(C[N@@H+]2CCN(Cc3ccccc3)[C@H](CCO)C2)c1 ZINC000039400455 570590615 /nfs/dbraw/zinc/59/06/15/570590615.db2.gz MNRSATCGFNNSKA-HSZRJFAPSA-N 1 1 390.531 3.250 50 0 GGAAMO Cc1ccc(-n2cccn2)c(C[N@H+]2CCN(Cc3ccccc3)[C@H](CCO)C2)c1 ZINC000039400455 570590616 /nfs/dbraw/zinc/59/06/16/570590616.db2.gz MNRSATCGFNNSKA-HSZRJFAPSA-N 1 1 390.531 3.250 50 0 GGAAMO COc1ccc(C[N@@H+]2CCN(Cc3ccc(F)c(F)c3)[C@H](CCO)C2)cc1 ZINC000039388403 570590939 /nfs/dbraw/zinc/59/09/39/570590939.db2.gz ZWACPIPZVOMZOF-GOSISDBHSA-N 1 1 376.447 3.042 50 0 GGAAMO COc1ccc(C[N@H+]2CCN(Cc3ccc(F)c(F)c3)[C@H](CCO)C2)cc1 ZINC000039388403 570590941 /nfs/dbraw/zinc/59/09/41/570590941.db2.gz ZWACPIPZVOMZOF-GOSISDBHSA-N 1 1 376.447 3.042 50 0 GGAAMO CCC(CC)C(=O)N1CCC([N@H+]2CCC[C@@H](C(=O)NCc3ccccc3)C2)CC1 ZINC000011879734 570591010 /nfs/dbraw/zinc/59/10/10/570591010.db2.gz BZYPBIHSVAYDKF-OAQYLSRUSA-N 1 1 399.579 3.442 50 0 GGAAMO COc1cccc(C[N@H+]2CCC[C@H](NC(=O)c3cc4ccccc4oc3=O)C2)c1 ZINC000011880012 570591028 /nfs/dbraw/zinc/59/10/28/570591028.db2.gz DUCWFVPPJXEMID-SFHVURJKSA-N 1 1 392.455 3.196 50 0 GGAAMO CCC(CC)C(=O)N1CCC([N@H+]2CCC[C@H](C(=O)NCc3ccccc3)C2)CC1 ZINC000011879735 570591324 /nfs/dbraw/zinc/59/13/24/570591324.db2.gz BZYPBIHSVAYDKF-NRFANRHFSA-N 1 1 399.579 3.442 50 0 GGAAMO O=C(NC1CC1)[C@@H]1CCC[N@H+](C2CCN(C/C=C/c3ccc(F)cc3)CC2)C1 ZINC000011879370 570591330 /nfs/dbraw/zinc/59/13/30/570591330.db2.gz JBLYOORALHCRTA-VUQTYRPGSA-N 1 1 385.527 3.294 50 0 GGAAMO COc1cc(CN2CC[N@@H+](Cc3cc(C)cc(C)c3)C[C@H]2CCO)cc(OC)c1 ZINC000039445368 570591558 /nfs/dbraw/zinc/59/15/58/570591558.db2.gz SOTKKOZVNRZPQT-JOCHJYFZSA-N 1 1 398.547 3.389 50 0 GGAAMO 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570794679 /nfs/dbraw/zinc/79/46/79/570794679.db2.gz KXDJPSNNUWOAEY-QFIPXVFZSA-N 1 1 382.504 3.344 50 0 GGAAMO O[C@H](COc1ccc(-c2ccccc2)cc1)C[NH+]1CCN(c2ccccn2)CC1 ZINC000003354715 570860602 /nfs/dbraw/zinc/86/06/02/570860602.db2.gz LWUOYPKNHLJBKL-QFIPXVFZSA-N 1 1 389.499 3.311 50 0 GGAAMO CCc1c(C(=O)NCC[C@H]2CCC[N@H+]2C)c(=O)cc(C)n1Cc1cccs1 ZINC000014973142 570867978 /nfs/dbraw/zinc/86/79/78/570867978.db2.gz HFDQQUIPUHWEDD-MRXNPFEDSA-N 1 1 387.549 3.043 50 0 GGAAMO COc1ccc(-c2n[nH]c(C)c2CC(=O)NC[C@H]2CCC[N@H+]3CCCC[C@@H]23)cc1 ZINC000170613638 570871813 /nfs/dbraw/zinc/87/18/13/570871813.db2.gz MATIZKUBXGKERV-NQIIRXRSSA-N 1 1 396.535 3.317 50 0 GGAAMO COc1cc(CN(C)Cc2ccc(C)o2)ccc1OC[C@@H](O)C[NH+]1CCCC1 ZINC000012589760 570883241 /nfs/dbraw/zinc/88/32/41/570883241.db2.gz RHWGSACJLHIAGP-IBGZPJMESA-N 1 1 388.508 3.064 50 0 GGAAMO CCCC(=O)N[C@@H]1CC[C@@]2(OC)CC[N@@H+](Cc3cn4cc(C)ccc4n3)[C@H]2C1 ZINC000534575291 570900730 /nfs/dbraw/zinc/90/07/30/570900730.db2.gz PFZJZZUZWKNXIX-ZWCUEREDSA-N 1 1 384.524 3.071 50 0 GGAAMO CC[N@@H+](C)C1(CNC(=O)N(CCO)Cc2ccccc2Cl)CCCCC1 ZINC000534581134 570903076 /nfs/dbraw/zinc/90/30/76/570903076.db2.gz MJOZTZJPTXUZEA-UHFFFAOYSA-N 1 1 381.948 3.499 50 0 GGAAMO CNc1ccc(-c2cccc(C(=O)N(C)Cc3ccc4c(c3)C[N@H+](C)C4)c2)cn1 ZINC000534590870 570906467 /nfs/dbraw/zinc/90/64/67/570906467.db2.gz OPFMRJMKSGRKJP-UHFFFAOYSA-N 1 1 386.499 3.430 50 0 GGAAMO O=C(N[C@H]1CC[N@@H+](Cc2ccccc2)C1)N1CCC(Cc2cccnc2)CC1 ZINC000534591816 570906482 /nfs/dbraw/zinc/90/64/82/570906482.db2.gz ITBBXZDFIHRMIT-QFIPXVFZSA-N 1 1 378.520 3.320 50 0 GGAAMO Cc1nc2ccc(-c3ccc(C(=O)N(C)C[C@]4(C)CC[N@@H+](C)C4)cc3)cn2n1 ZINC000534629724 570908811 /nfs/dbraw/zinc/90/88/11/570908811.db2.gz GMTXVWNAJXOWCG-JOCHJYFZSA-N 1 1 377.492 3.119 50 0 GGAAMO CCC(=O)N[C@@H]1CC[C@@]2(OC)CC[N@@H+](Cc3nc4c(s3)CCCC4)[C@H]2C1 ZINC000534641748 570908888 /nfs/dbraw/zinc/90/88/88/570908888.db2.gz RDQOGJVIFACNMZ-CFLQYTFWSA-N 1 1 377.554 3.060 50 0 GGAAMO CC(=O)c1sccc1-c1cccc(C(=O)NCCC[N@H+]2CCC[C@H](O)C2)c1 ZINC000534654484 570915168 /nfs/dbraw/zinc/91/51/68/570915168.db2.gz GZWISLGBNMAVBG-SFHVURJKSA-N 1 1 386.517 3.194 50 0 GGAAMO Cc1nc(-n2cccn2)cc(NCCNC(=O)Nc2cccc(Cl)c2C)[nH+]1 ZINC000023144614 570919281 /nfs/dbraw/zinc/91/92/81/570919281.db2.gz HLYIKRZFFBSPOE-UHFFFAOYSA-N 1 1 385.859 3.166 50 0 GGAAMO Cc1ccc([C@@H](NC(=O)N2CC[NH+](CCCCO)CC2)c2ccccc2)cc1 ZINC000534666251 570919444 /nfs/dbraw/zinc/91/94/44/570919444.db2.gz XYVQWMVNIPNAPG-QFIPXVFZSA-N 1 1 381.520 3.184 50 0 GGAAMO CC[N@H+]1CCC[C@@H](NC(=O)N(Cc2cccnc2)Cc2ccccc2OC)C1 ZINC000534667742 570920015 /nfs/dbraw/zinc/92/00/15/570920015.db2.gz NWWFBBMPRQDUBO-HXUWFJFHSA-N 1 1 382.508 3.286 50 0 GGAAMO CCCOc1c(CNC(=O)N2CC([N@H+]3CCCC[C@@H]3C)C2)cccc1OC ZINC000534673705 570921533 /nfs/dbraw/zinc/92/15/33/570921533.db2.gz GASJTUDEWWDMAJ-INIZCTEOSA-N 1 1 375.513 3.252 50 0 GGAAMO CCCOc1c(CNC(=O)N2CC([N@H+]3CCCC[C@H]3C)C2)cccc1OC ZINC000534673706 570921725 /nfs/dbraw/zinc/92/17/25/570921725.db2.gz GASJTUDEWWDMAJ-MRXNPFEDSA-N 1 1 375.513 3.252 50 0 GGAAMO COc1ccc([C@H]2[C@@H]3CCCC[C@]3(O)CC[N@@H+]2CC(=O)NCc2ccco2)cc1 ZINC000004062055 570927723 /nfs/dbraw/zinc/92/77/23/570927723.db2.gz VHXFHGSCIYIYMT-PMVMPFDFSA-N 1 1 398.503 3.273 50 0 biogenic GGAAMO COc1ccc([C@H]2[C@@H]3CCCC[C@]3(O)CC[N@H+]2CC(=O)NCc2ccco2)cc1 ZINC000004062055 570927725 /nfs/dbraw/zinc/92/77/25/570927725.db2.gz VHXFHGSCIYIYMT-PMVMPFDFSA-N 1 1 398.503 3.273 50 0 biogenic GGAAMO CC(C)n1ccc(=NC(=O)N(C)Cc2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)[nH]1 ZINC000585138550 570950778 /nfs/dbraw/zinc/95/07/78/570950778.db2.gz AEXUBYIRKXIHJI-HDICACEKSA-N 1 1 399.539 3.159 50 0 GGAAMO O=C(NCC1(c2ccc(Cl)cc2)CC1)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000465829781 570962579 /nfs/dbraw/zinc/96/25/79/570962579.db2.gz AZZJRPFVZFNIGE-LJQANCHMSA-N 1 1 391.943 3.268 50 0 GGAAMO OCC[C@@H]1CN(Cc2ccc3nsnc3c2)CC[N@H+]1CCCc1ccccc1 ZINC000019219135 570962754 /nfs/dbraw/zinc/96/27/54/570962754.db2.gz NSBPRMHSUAOLOW-HXUWFJFHSA-N 1 1 396.560 3.193 50 0 GGAAMO O=C(COc1coc(C[NH+]2CCCCC2)cc1=O)Nc1ccc(Cl)cc1 ZINC000044891612 570980718 /nfs/dbraw/zinc/98/07/18/570980718.db2.gz XIYMPBBTBSWQMK-UHFFFAOYSA-N 1 1 376.840 3.297 50 0 GGAAMO COc1ccccc1-c1noc(CCC(=O)NC[C@H]2CCC[N@H+]3CCCC[C@@H]23)n1 ZINC000252538979 570992463 /nfs/dbraw/zinc/99/24/63/570992463.db2.gz NOYZZEFZYSALOA-AEFFLSMTSA-N 1 1 398.507 3.059 50 0 GGAAMO COc1ccccc1-c1cc(C(=O)NC[C@H]2CCC[N@H+]3CCCC[C@@H]23)n(C)n1 ZINC000252539689 570992758 /nfs/dbraw/zinc/99/27/58/570992758.db2.gz OJCSZXRGAQMWEK-APWZRJJASA-N 1 1 382.508 3.090 50 0 GGAAMO CCCCSc1ncc(CN2CCC3(CC2)c2[nH]cnc2CC[N@H+]3C)cn1 ZINC000095515376 571083545 /nfs/dbraw/zinc/08/35/45/571083545.db2.gz ZDIDUPFKOMENPD-UHFFFAOYSA-N 1 1 386.569 3.071 50 0 GGAAMO CCCCSc1ncc(CN2CCC3(CC2)c2[nH]cnc2CC[N@@H+]3C)cn1 ZINC000095515376 571083550 /nfs/dbraw/zinc/08/35/50/571083550.db2.gz ZDIDUPFKOMENPD-UHFFFAOYSA-N 1 1 386.569 3.071 50 0 GGAAMO COc1ccc(C(=O)[C@H]2CCC[N@@H+](Cc3ccc4nonc4c3)C2)cc1OC ZINC000055099841 1406885135 /nfs/dbraw/zinc/88/51/35/1406885135.db2.gz ZRBRKQCUIBAZNT-INIZCTEOSA-N 1 1 381.432 3.335 50 0 GGAAMO COCC[N@H+]1CCC[C@@]2(CCN(Cc3ccc(Oc4ncccn4)cc3)C2)C1 ZINC000055244045 1406910543 /nfs/dbraw/zinc/91/05/43/1406910543.db2.gz NGRXJRWJKHOGHZ-JOCHJYFZSA-N 1 1 382.508 3.203 50 0 GGAAMO COCCN1CCC[C@@]2(CC[N@H+](Cc3ccc(Oc4ncccn4)cc3)C2)C1 ZINC000055244045 1406910593 /nfs/dbraw/zinc/91/05/93/1406910593.db2.gz NGRXJRWJKHOGHZ-JOCHJYFZSA-N 1 1 382.508 3.203 50 0 GGAAMO COCCN1CCC[C@@]2(CC[N@@H+](Cc3ccc(Oc4ncccn4)cc3)C2)C1 ZINC000055244045 1406910604 /nfs/dbraw/zinc/91/06/04/1406910604.db2.gz NGRXJRWJKHOGHZ-JOCHJYFZSA-N 1 1 382.508 3.203 50 0 GGAAMO Cc1ccccc1N1CC[NH+]([C@@H]2CCCN(C(=O)c3cc(C4CC4)on3)C2)CC1 ZINC000055270414 1406917510 /nfs/dbraw/zinc/91/75/10/1406917510.db2.gz CSGSUWVAPJGURP-LJQANCHMSA-N 1 1 394.519 3.287 50 0 GGAAMO CCOc1ccc(C(=O)Nc2sc3c(c2C(N)=O)CC[N@H+](C(C)C)C3)cc1 ZINC000004087126 1398379203 /nfs/dbraw/zinc/37/92/03/1398379203.db2.gz NLEIBYQOCWUXSM-UHFFFAOYSA-N 1 1 387.505 3.265 50 0 GGAAMO CCOc1ccc(C(=O)Nc2sc3c(c2C(N)=O)CC[N@@H+](C(C)C)C3)cc1 ZINC000004087126 1398379208 /nfs/dbraw/zinc/37/92/08/1398379208.db2.gz NLEIBYQOCWUXSM-UHFFFAOYSA-N 1 1 387.505 3.265 50 0 GGAAMO O=C(C[NH+]1CCC(c2nc3ccccc3[nH]2)CC1)Nc1ccc2c(c1)OCO2 ZINC000004103000 1398380205 /nfs/dbraw/zinc/38/02/05/1398380205.db2.gz MKZQIAGKNSNOME-UHFFFAOYSA-N 1 1 378.432 3.110 50 0 GGAAMO CC(=O)Nc1ccc(NC(=O)C[NH+]2CCC(c3nc4ccccc4[nH]3)CC2)cc1 ZINC000004315123 1398391792 /nfs/dbraw/zinc/39/17/92/1398391792.db2.gz ZCCOZMMMVYVAGB-UHFFFAOYSA-N 1 1 391.475 3.339 50 0 GGAAMO CC(=O)[C@@H]1[C@@H]2C(=O)N(c3cc(C)cc(C)c3)C(=O)[C@H]2[C@@H]2c3ccccc3C=C[N@@H+]21 ZINC000008301046 1398821328 /nfs/dbraw/zinc/82/13/28/1398821328.db2.gz LVLAFLSCAVOCDM-YSFYHYPLSA-N 1 1 386.451 3.408 50 0 GGAAMO CC(=O)[C@@H]1[C@@H]2C(=O)N(c3cc(C)cc(C)c3)C(=O)[C@H]2[C@@H]2c3ccccc3C=C[N@H+]21 ZINC000008301046 1398821330 /nfs/dbraw/zinc/82/13/30/1398821330.db2.gz LVLAFLSCAVOCDM-YSFYHYPLSA-N 1 1 386.451 3.408 50 0 GGAAMO CC[N@H+]1CCC[C@H]1CNC(=O)Cc1c(C)c2cc3c(C)coc3cc2oc1=O ZINC000008764870 1398846247 /nfs/dbraw/zinc/84/62/47/1398846247.db2.gz TXNKKGHFIPXTLT-HNNXBMFYSA-N 1 1 382.460 3.299 50 0 biogenic GGAAMO COc1cccc(CN2CCC[C@]3(CC[N@@H+](Cc4cccnc4)C3)C2=O)c1OC ZINC000011667676 1399003092 /nfs/dbraw/zinc/00/30/92/1399003092.db2.gz MADQXKGMGMYUPA-HSZRJFAPSA-N 1 1 395.503 3.114 50 0 GGAAMO COc1cccc(CN2CCC[C@@]3(CC[N@@H+](Cc4cccnc4)C3)C2=O)c1OC ZINC000011667677 1399003149 /nfs/dbraw/zinc/00/31/49/1399003149.db2.gz MADQXKGMGMYUPA-QHCPKHFHSA-N 1 1 395.503 3.114 50 0 GGAAMO COc1ccc(F)c(C[N@H+]2CCC[C@]3(CCN(C(=O)c4ccc(=O)[nH]c4)C3)C2)c1 ZINC000011704168 1399005882 /nfs/dbraw/zinc/00/58/82/1399005882.db2.gz KLMHWEJNBNZZKA-QFIPXVFZSA-N 1 1 399.466 3.063 50 0 GGAAMO COc1cc2c(cc1C[NH2+][C@H](C)c1cnc(-c3ccncc3)nc1C)OCO2 ZINC000011754152 1399010356 /nfs/dbraw/zinc/01/03/56/1399010356.db2.gz VUFNLKALLLELEY-CYBMUJFWSA-N 1 1 378.432 3.435 50 0 GGAAMO CN(C[C@H]1CCC[N@@H+](CCc2ccc(Cl)cc2)C1)C(=O)c1cc[n+]([O-])cc1 ZINC000011766888 1399011179 /nfs/dbraw/zinc/01/11/79/1399011179.db2.gz YCVWQGIOVBYNSH-GOSISDBHSA-N 1 1 387.911 3.000 50 0 GGAAMO CN(C[C@@H]1CCC[N@H+]1C)C(=O)c1cn(C(c2ccccc2)c2ccccc2)nn1 ZINC000011773334 1399011525 /nfs/dbraw/zinc/01/15/25/1399011525.db2.gz JXCHXEJFUSOPMG-FQEVSTJZSA-N 1 1 389.503 3.082 50 0 GGAAMO O=C(c1cn([C@H]2CCC[N@@H+](C/C=C/c3ccccc3)C2)nn1)N1CCCCC1 ZINC000011787663 1399012443 /nfs/dbraw/zinc/01/24/43/1399012443.db2.gz AGGISFLXLXIIQN-OEMHODTASA-N 1 1 379.508 3.255 50 0 GGAAMO CCCS(=O)(=O)c1ncc(C[N@H+](C)C2CCCCC2)n1C[C@@H]1CCCO1 ZINC000011820253 1399014147 /nfs/dbraw/zinc/01/41/47/1399014147.db2.gz MBELKYDVFFYBGE-SFHVURJKSA-N 1 1 383.558 3.010 50 0 GGAAMO CCCS(=O)(=O)c1ncc(C[N@@H+](C)C2CCCCC2)n1C[C@@H]1CCCO1 ZINC000011820253 1399014153 /nfs/dbraw/zinc/01/41/53/1399014153.db2.gz MBELKYDVFFYBGE-SFHVURJKSA-N 1 1 383.558 3.010 50 0 GGAAMO O=C(Nc1ccc(-c2cc[nH]n2)cc1)[C@H]1CCC[N@H+](Cc2ccc(CO)o2)C1 ZINC000011817577 1399014615 /nfs/dbraw/zinc/01/46/15/1399014615.db2.gz 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COc1cccc(C[N@@H+]2CCN(Cc3cccc4cccnc43)C[C@H]2CCO)c1 ZINC000104420902 1410895675 /nfs/dbraw/zinc/89/56/75/1410895675.db2.gz JMXRZGJLGSRJEV-JOCHJYFZSA-N 1 1 391.515 3.312 50 0 GGAAMO COc1cccc(C[N@H+]2CCN(Cc3cccc4cccnc43)C[C@H]2CCO)c1 ZINC000104420902 1410895676 /nfs/dbraw/zinc/89/56/76/1410895676.db2.gz JMXRZGJLGSRJEV-JOCHJYFZSA-N 1 1 391.515 3.312 50 0 GGAAMO c1oc(-c2ccccc2)nc1C[NH2+]Cc1cccc(OCCN2CCOCC2)c1 ZINC000155669695 1423478320 /nfs/dbraw/zinc/47/83/20/1423478320.db2.gz XITOQHKKDPRRRB-UHFFFAOYSA-N 1 1 393.487 3.342 50 0 GGAAMO C[NH+](C)CC(=O)Nc1ccc(NC(=O)Cc2ccccc2C(F)(F)F)cc1 ZINC000175107089 1427549974 /nfs/dbraw/zinc/54/99/74/1427549974.db2.gz CZFULLWALXMQQN-UHFFFAOYSA-N 1 1 379.382 3.387 50 0 GGAAMO Cc1nn(C)cc1[C@@H](C)NC(=O)CC[N@H+]1Cc2cc(Cl)ccc2O[C@@H](C)C1 ZINC000216197462 1433363064 /nfs/dbraw/zinc/36/30/64/1433363064.db2.gz VOHQCJLYRYEWAJ-UONOGXRCSA-N 1 1 390.915 3.232 50 0 GGAAMO Cc1nn(C)cc1[C@@H](C)NC(=O)CC[N@@H+]1Cc2cc(Cl)ccc2O[C@@H](C)C1 ZINC000216197462 1433363066 /nfs/dbraw/zinc/36/30/66/1433363066.db2.gz VOHQCJLYRYEWAJ-UONOGXRCSA-N 1 1 390.915 3.232 50 0 GGAAMO COc1ccc(-n2ncc(C(=O)NC[C@H]3CCC[N@H+]4CCCC[C@@H]34)c2C)cc1 ZINC000230203929 1433372720 /nfs/dbraw/zinc/37/27/20/1433372720.db2.gz VFDCJOLMWUQVJV-UTKZUKDTSA-N 1 1 382.508 3.184 50 0 biogenic GGAAMO CC[C@H](C)[C@H](NC(=O)[C@H]1Cc2ccccc2C[NH2+]1)C(=O)N[C@H](C)c1ccccc1 ZINC000253487705 1433867968 /nfs/dbraw/zinc/86/79/68/1433867968.db2.gz OILOJSRFFAWWFA-DVRVPYBTSA-N 1 1 393.531 3.109 50 0 GGAAMO CCOC(=O)N1CC[NH+](C[C@@H]2C(=O)O[C@@H]3C[C@]4(C)CCC[C@@H](C)C4=C[C@@H]23)CC1 ZINC000253487653 1433867987 /nfs/dbraw/zinc/86/79/87/1433867987.db2.gz NGNDKPBQSHRIRV-RNXXAXEJSA-N 1 1 390.524 3.075 50 0 GGAAMO Cn1ccnc1C[NH+]1CCC2(CC1)C[C@H](c1ccccc1)C(=O)N(C1CC1)C2 ZINC000091563352 230964126 /nfs/dbraw/zinc/96/41/26/230964126.db2.gz VHVDGIOROQRQIB-HXUWFJFHSA-N 1 1 378.520 3.181 50 0 GGAAMO Cc1[nH+]ccn1CC[C@H]1CCCCN1C(=O)c1cnc(-c2ccncc2)nc1 ZINC000095352451 230975470 /nfs/dbraw/zinc/97/54/70/230975470.db2.gz FSUSNMKEHFLTPS-LJQANCHMSA-N 1 1 376.464 3.129 50 0 GGAAMO Cc1cccc([C@@H](C(=O)NCCc2nc(C)cc(C(F)(F)F)n2)[NH+](C)C)c1 ZINC000095352781 230976364 /nfs/dbraw/zinc/97/63/64/230976364.db2.gz AZMORCJBAIFREC-KRWDZBQOSA-N 1 1 380.414 3.074 50 0 GGAAMO Cc1cc(C)c2c(ncnc2NCc2cc3n(n2)CCC[N@H+](CC(C)C)C3)n1 ZINC000095365955 230978196 /nfs/dbraw/zinc/97/81/96/230978196.db2.gz GLDSHRPMIZLZPX-UHFFFAOYSA-N 1 1 379.512 3.312 50 0 GGAAMO O=C(N[C@@H]1C[C@H]1c1ccccc1)N1CCC[N@H+](C2Cc3ccccc3C2)CC1 ZINC000426395153 231213881 /nfs/dbraw/zinc/21/38/81/231213881.db2.gz IXDOFXJWDOVNQR-XZOQPEGZSA-N 1 1 375.516 3.427 50 0 GGAAMO Cc1[nH+]ccn1CC[C@@H]1CCCCN1C(=O)Nc1cccc(-n2cncn2)c1 ZINC000426427923 231219116 /nfs/dbraw/zinc/21/91/16/231219116.db2.gz JQARVQOAISXLAQ-SFHVURJKSA-N 1 1 379.468 3.249 50 0 GGAAMO CO[C@]12CC[N@H+](Cc3ccc(F)c(Cl)c3F)[C@H]1C[C@H](OCCO)CC2 ZINC000426428407 231219346 /nfs/dbraw/zinc/21/93/46/231219346.db2.gz VCTWUSLFVSSNBN-QIIPPGSGSA-N 1 1 375.843 3.139 50 0 GGAAMO CO[C@]12CC[N@@H+](Cc3ccc(F)c(Cl)c3F)[C@H]1C[C@H](OCCO)CC2 ZINC000426428407 231219349 /nfs/dbraw/zinc/21/93/49/231219349.db2.gz VCTWUSLFVSSNBN-QIIPPGSGSA-N 1 1 375.843 3.139 50 0 GGAAMO Cc1cc(C)n(CCCN(C)C(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)n1 ZINC000426443059 231221710 /nfs/dbraw/zinc/22/17/10/231221710.db2.gz UDPYQCSAUOKMRH-NRFANRHFSA-N 1 1 383.540 3.196 50 0 GGAAMO COCCN(C[C@@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)c1cc(-c2ccco2)n[nH]1 ZINC000409414776 231204042 /nfs/dbraw/zinc/20/40/42/231204042.db2.gz WRVCFCAGGBWLAG-QFBILLFUSA-N 1 1 386.496 3.023 50 0 biogenic GGAAMO O=C(NCCC[N@@H+]1CCC[C@H](O)C1)c1ccc(-c2ccc3[nH]ccc3c2)cc1 ZINC000426370512 231208463 /nfs/dbraw/zinc/20/84/63/231208463.db2.gz MMQSHSWKKKZIJG-NRFANRHFSA-N 1 1 377.488 3.412 50 0 GGAAMO CO[C@]12CC[N@@H+](CCn3c4ccccc4oc3=O)[C@H]1C[C@@H](OCC1CC1)CC2 ZINC000426387176 231212869 /nfs/dbraw/zinc/21/28/69/231212869.db2.gz XYPVQHMXWGWUJS-RBDMOPTHSA-N 1 1 386.492 3.033 50 0 GGAAMO CO[C@]12CC[N@H+](Cc3cc(C(C)=O)cn3C)[C@H]1C[C@@H](Oc1ccccn1)CC2 ZINC000426486063 231227255 /nfs/dbraw/zinc/22/72/55/231227255.db2.gz WPGFPTROIWSEOF-JAXLGGSGSA-N 1 1 383.492 3.214 50 0 GGAAMO CO[C@]12CC[N@@H+](Cc3cc(C(C)=O)cn3C)[C@H]1C[C@@H](Oc1ccccn1)CC2 ZINC000426486063 231227258 /nfs/dbraw/zinc/22/72/58/231227258.db2.gz WPGFPTROIWSEOF-JAXLGGSGSA-N 1 1 383.492 3.214 50 0 GGAAMO Cn1c(CN2CCCC2)nnc1[C@@H]1CCC[N@@H+](C/C=C/c2ccc(F)cc2)C1 ZINC000426551956 231241571 /nfs/dbraw/zinc/24/15/71/231241571.db2.gz IYNUTPAIPYOTDB-FHHGHWCOSA-N 1 1 383.515 3.443 50 0 GGAAMO Cc1cc(C(=O)N2CC[C@@]3(C2)CCC[N@@H+](CC2CC2)C3)cc2sc(N)nc21 ZINC000426465546 231223098 /nfs/dbraw/zinc/22/30/98/231223098.db2.gz ZYADOBBLDJBOAT-NRFANRHFSA-N 1 1 384.549 3.355 50 0 GGAAMO O=C(c1cccc(-c2nccc3ccccc32)c1)N1CC[NH+](CCCO)CC1 ZINC000426465362 231223733 /nfs/dbraw/zinc/22/37/33/231223733.db2.gz YJKBWOWIMQAOGR-UHFFFAOYSA-N 1 1 375.472 3.042 50 0 GGAAMO Cc1nnc(-c2ccccc2-c2cccc(C(=O)N(C)[C@H]3CC[N@@H+](C)C3)c2)o1 ZINC000426470475 231223850 /nfs/dbraw/zinc/22/38/50/231223850.db2.gz BFADXCAESDXDJE-SFHVURJKSA-N 1 1 376.460 3.488 50 0 GGAAMO O=C(NC[C@@H]1CC[N@H+](C2CCCCC2)C1)c1ccc(-c2cnc(=O)[nH]c2)cc1 ZINC000426674054 231252031 /nfs/dbraw/zinc/25/20/31/231252031.db2.gz KUJYATXYSIQCQV-INIZCTEOSA-N 1 1 380.492 3.234 50 0 GGAAMO O=C(NCC[N@@H+]1CCC[C@@H](CO)C1)c1ccc(-c2ccc3[nH]ccc3c2)cc1 ZINC000426715896 231255433 /nfs/dbraw/zinc/25/54/33/231255433.db2.gz KYNBMEFOVDKJHM-QGZVFWFLSA-N 1 1 377.488 3.269 50 0 GGAAMO CCc1ccc(CN2CCc3c(C(=O)N4CC[N@H+](C)[C@@H](C)C4)csc3C2)nc1 ZINC000426428259 529643030 /nfs/dbraw/zinc/64/30/30/529643030.db2.gz JCFAETQBPRAKGO-INIZCTEOSA-N 1 1 398.576 3.040 50 0 GGAAMO CCc1ccc(CN2CCc3c(C(=O)N4CC[N@@H+](C)[C@@H](C)C4)csc3C2)nc1 ZINC000426428259 529643033 /nfs/dbraw/zinc/64/30/33/529643033.db2.gz JCFAETQBPRAKGO-INIZCTEOSA-N 1 1 398.576 3.040 50 0 GGAAMO CCc1ccc(NC(=O)[C@@H](NC(=O)[C@H]2Cc3ccccc3C[NH2+]2)C(C)C)cc1 ZINC000035876495 529685099 /nfs/dbraw/zinc/68/50/99/529685099.db2.gz IEZGVGGMPPAGLG-RTWAWAEBSA-N 1 1 379.504 3.043 50 0 GGAAMO CN(C[C@H]1Cc2ccccc2CN1C)C(=O)c1ccc(-c2c[nH+]ccc2N)cc1 ZINC000426511602 529972972 /nfs/dbraw/zinc/97/29/72/529972972.db2.gz HNWHGRMCNKRNMH-OAQYLSRUSA-N 1 1 386.499 3.290 50 0 GGAAMO Cc1nn(C(C)C)c(C)c1-c1cc(C(=O)NC[C@H]2CCC[N@H+]3CCCC[C@H]23)[nH]n1 ZINC000225415599 222677104 /nfs/dbraw/zinc/67/71/04/222677104.db2.gz TWUMQFHYDVBGEA-YLJYHZDGSA-N 1 1 398.555 3.465 50 0 biogenic GGAAMO CN(Cc1ccc2c(c1)C[N@H+](C)C2)C(=O)NCCCn1ncc2ccccc21 ZINC000426389522 529991200 /nfs/dbraw/zinc/99/12/00/529991200.db2.gz WKFKVKUMGFRUSJ-UHFFFAOYSA-N 1 1 377.492 3.213 50 0 GGAAMO CCCc1cc(CNC(=O)c2ccc(N3CC[N@@H+](C(C)C)[C@H](CC)C3)nc2)on1 ZINC000039518765 535396813 /nfs/dbraw/zinc/39/68/13/535396813.db2.gz VVQKBNWKVJMFNK-LJQANCHMSA-N 1 1 399.539 3.261 50 0 GGAAMO C[NH+](C)[C@@H](CNS(=O)(=O)c1ccc2c(c1)CCCC2)c1ccc(F)cc1 ZINC000010335371 212248560 /nfs/dbraw/zinc/24/85/60/212248560.db2.gz DJDSBTHCWAXNBJ-FQEVSTJZSA-N 1 1 376.497 3.286 50 0 GGAAMO COC(=O)Nc1ccc2c(c1)N(C(=O)N1CC[NH+](C)CC1)c1ccccc1CC2 ZINC000001196170 212228436 /nfs/dbraw/zinc/22/84/36/212228436.db2.gz NPFSFPPVMWUPLZ-UHFFFAOYSA-N 1 1 394.475 3.469 50 0 GGAAMO CCOC(=O)c1c2cc(OC(C)=O)c(Br)cc2n(C)c1C[NH+](C)C ZINC000000977861 212201590 /nfs/dbraw/zinc/20/15/90/212201590.db2.gz BMYLZOBROVDMKJ-UHFFFAOYSA-N 1 1 397.269 3.104 50 0 GGAAMO C[NH+]1CCN(c2nc3c(cnn3-c3ccccc3)c(Nc3ccccc3)n2)CC1 ZINC000009573539 212198028 /nfs/dbraw/zinc/19/80/28/212198028.db2.gz ZMKWEGYJYLEUQV-UHFFFAOYSA-N 1 1 385.475 3.311 50 0 GGAAMO Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)C[NH+]3CCCCC3)cc2)cc1 ZINC000000801824 212182331 /nfs/dbraw/zinc/18/23/31/212182331.db2.gz OKESIFQEEJUYCQ-UHFFFAOYSA-N 1 1 387.505 3.220 50 0 GGAAMO CCOc1ccc(CNc2nc3ccccc3n2CC[NH+]2CCOCC2)cc1 ZINC000000809671 212184365 /nfs/dbraw/zinc/18/43/65/212184365.db2.gz IFRGGXQXBWGKPH-UHFFFAOYSA-N 1 1 380.492 3.379 50 0 GGAAMO CCN(CC)C(=O)[C@@H]1CCC[N@@H+](Cc2cc(Br)c(O)c(OC)c2)C1 ZINC000000755560 212178848 /nfs/dbraw/zinc/17/88/48/212178848.db2.gz JQZBGYVMVQSLAJ-CQSZACIVSA-N 1 1 399.329 3.244 50 0 GGAAMO COc1ccccc1N1CC[NH+](Cc2cc(=O)oc3cc(C)c(O)cc23)CC1 ZINC000054219971 212131480 /nfs/dbraw/zinc/13/14/80/212131480.db2.gz JNSFBYFHPVFHEM-UHFFFAOYSA-N 1 1 380.444 3.138 50 0 GGAAMO COc1cc(C)c(C)cc1S(=O)(=O)NC[C@@H](c1ccc(C)cc1)[NH+](C)C ZINC000007997207 221022504 /nfs/dbraw/zinc/02/25/04/221022504.db2.gz CUQBYSUPAFEHBF-SFHVURJKSA-N 1 1 376.522 3.202 50 0 GGAAMO CC[C@@H](Sc1nc(N)cc(N)[nH+]1)C(=O)Nc1nc(-c2ccccc2)cs1 ZINC000008814441 221060231 /nfs/dbraw/zinc/06/02/31/221060231.db2.gz NHDHFZMIBVHTII-GFCCVEGCSA-N 1 1 386.506 3.274 50 0 GGAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)Cc1c(C)c2cc3c(C)coc3cc2oc1=O ZINC000008764869 221057126 /nfs/dbraw/zinc/05/71/26/221057126.db2.gz TXNKKGHFIPXTLT-OAHLLOKOSA-N 1 1 382.460 3.299 50 0 biogenic GGAAMO C[NH+](C)[C@H](CNS(=O)(=O)c1ccc(Br)cc1)c1ccccc1 ZINC000010334581 221101735 /nfs/dbraw/zinc/10/17/35/221101735.db2.gz DTPZAFRZXVYGAM-MRXNPFEDSA-N 1 1 383.311 3.030 50 0 GGAAMO CC(C)Cc1cc(C(=O)N(C)[C@H]2CCC[N@H+](Cc3ccccc3F)C2)n(C)n1 ZINC000011714092 221123758 /nfs/dbraw/zinc/12/37/58/221123758.db2.gz LEQCBUILKJSGLU-IBGZPJMESA-N 1 1 386.515 3.494 50 0 GGAAMO CC(C)Cc1cc(C(=O)N(C)[C@H]2CCC[N@@H+](Cc3ccccc3F)C2)n(C)n1 ZINC000011714092 221123760 /nfs/dbraw/zinc/12/37/60/221123760.db2.gz LEQCBUILKJSGLU-IBGZPJMESA-N 1 1 386.515 3.494 50 0 GGAAMO CN(C[C@@H]1CCC[N@@H+](CCc2ccc(Cl)cc2)C1)C(=O)c1cc[n+]([O-])cc1 ZINC000011766878 221124041 /nfs/dbraw/zinc/12/40/41/221124041.db2.gz YCVWQGIOVBYNSH-SFHVURJKSA-N 1 1 387.911 3.000 50 0 GGAAMO CN(C)c1ncc([C@@H]2C[C@H]3CN(CCc4ccccc4)C(=O)[C@]34CCC[N@@H+]24)s1 ZINC000011763353 221124307 /nfs/dbraw/zinc/12/43/07/221124307.db2.gz HRCJIHSLBGJSES-SPEDKVCISA-N 1 1 396.560 3.190 50 0 GGAAMO CCOC(=O)[C@@]1(CCOC)CCC[N@@H+](C/C=C/c2ccc(O)c(OC)c2)C1 ZINC000011773700 221125366 /nfs/dbraw/zinc/12/53/66/221125366.db2.gz KANRLDTZUXXYFL-GZNAHNRGSA-N 1 1 377.481 3.096 50 0 GGAAMO CCOC(=O)CC1(S(=O)(=O)c2ccc(F)cc2)CC[NH+](CC(C)C)CC1 ZINC000011814001 221125815 /nfs/dbraw/zinc/12/58/15/221125815.db2.gz VXQFSBLNYRMFFD-UHFFFAOYSA-N 1 1 385.501 3.043 50 0 GGAAMO COC(=O)c1cccc(C(=O)N(C)[C@@H]2CCC[N@H+](C3Cc4ccccc4C3)C2)c1 ZINC000011813744 221125892 /nfs/dbraw/zinc/12/58/92/221125892.db2.gz GCTDEHBYKAEDHF-OAQYLSRUSA-N 1 1 392.499 3.177 50 0 GGAAMO CC(C)Cc1ccc(C[N@H+]2CCC[C@H](NC(=O)CCc3cnn(C)c3)C2)cc1 ZINC000011813019 221126041 /nfs/dbraw/zinc/12/60/41/221126041.db2.gz LVWXAXQFTTZARQ-QFIPXVFZSA-N 1 1 382.552 3.332 50 0 GGAAMO COc1cccc(C[N@H+]2CCC[C@]3(CCN(C(=O)c4ncoc4C)C3)C2)c1OC ZINC000011879381 221135267 /nfs/dbraw/zinc/13/52/67/221135267.db2.gz PZVZZZNHYOBPFB-QFIPXVFZSA-N 1 1 399.491 3.129 50 0 GGAAMO COc1cccc(C[N@H+]2CCC[C@@H](NC(=O)c3cc4ccccc4oc3=O)C2)c1 ZINC000011880011 221135286 /nfs/dbraw/zinc/13/52/86/221135286.db2.gz DUCWFVPPJXEMID-GOSISDBHSA-N 1 1 392.455 3.196 50 0 GGAAMO CN(C(=O)Cc1cn2ccsc2n1)[C@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC000011819557 221128963 /nfs/dbraw/zinc/12/89/63/221128963.db2.gz MJIXFODSTLSATL-IBGZPJMESA-N 1 1 382.533 3.104 50 0 GGAAMO COc1ccc(C(=O)Nc2ccnn2C2CC[NH+](Cc3cc(C)n[nH]3)CC2)cc1 ZINC000011819177 221129079 /nfs/dbraw/zinc/12/90/79/221129079.db2.gz CKEOUXMSMGULAQ-UHFFFAOYSA-N 1 1 394.479 3.013 50 0 GGAAMO CCN(C[C@H]1CCC[N@@H+](CCc2cccc(OC)c2)C1)C(=O)Cn1ccnc1C ZINC000011819294 221129356 /nfs/dbraw/zinc/12/93/56/221129356.db2.gz TVMPRZBNEKVOCN-NRFANRHFSA-N 1 1 398.551 3.003 50 0 GGAAMO Cc1cnc(C(=O)N2CC[C@]3(C2)CCC[N@H+](Cc2cccc(F)c2F)C3)cn1 ZINC000011839032 221130417 /nfs/dbraw/zinc/13/04/17/221130417.db2.gz LAMBLWZPRHQPOQ-OAQYLSRUSA-N 1 1 386.446 3.192 50 0 GGAAMO Cc1cnc(C(=O)N2CC[C@]3(C2)CCC[N@@H+](Cc2cccc(F)c2F)C3)cn1 ZINC000011839032 221130421 /nfs/dbraw/zinc/13/04/21/221130421.db2.gz LAMBLWZPRHQPOQ-OAQYLSRUSA-N 1 1 386.446 3.192 50 0 GGAAMO COc1cccc(C[N@H+]2CCC[C@]3(CCN(C(=O)CCn4ccc(C)n4)C3)C2)c1 ZINC000011839875 221130695 /nfs/dbraw/zinc/13/06/95/221130695.db2.gz SMJSOEZFRJCKMT-QHCPKHFHSA-N 1 1 396.535 3.105 50 0 GGAAMO CCc1ncc(C[N@H+]2CC[C@]3(C2)CCCN(Cc2cccc(C)c2)C3=O)cn1 ZINC000011840303 221130761 /nfs/dbraw/zinc/13/07/61/221130761.db2.gz DWRJFZSUCCGZPE-QHCPKHFHSA-N 1 1 378.520 3.362 50 0 GGAAMO COc1ccc(C(=O)N(C)[C@H]2CCC[N@@H+](CCc3ccccc3)C2)cc1OC ZINC000011838952 221130826 /nfs/dbraw/zinc/13/08/26/221130826.db2.gz LOYJGYOKAXSGPQ-FQEVSTJZSA-N 1 1 382.504 3.483 50 0 GGAAMO O=C(C[NH+]1CCCCC1)N1CC[C@]2(C1)CCCN(Cc1ccc(F)c(F)c1)C2 ZINC000011843000 221131696 /nfs/dbraw/zinc/13/16/96/221131696.db2.gz HOQFAFFWTRZMMQ-JOCHJYFZSA-N 1 1 391.506 3.265 50 0 GGAAMO O=C(C[NH+]1CCCCC1)N1CC[C@@]2(C1)CCCN(Cc1ccc(F)c(F)c1)C2 ZINC000011842999 221132045 /nfs/dbraw/zinc/13/20/45/221132045.db2.gz HOQFAFFWTRZMMQ-QFIPXVFZSA-N 1 1 391.506 3.265 50 0 GGAAMO Cn1cccc1[C@H](CNS(=O)(=O)c1ccc(C(C)(C)C)cc1)[NH+]1CCCC1 ZINC000011846847 221132100 /nfs/dbraw/zinc/13/21/00/221132100.db2.gz XLOZGUDIXMJFFB-FQEVSTJZSA-N 1 1 389.565 3.438 50 0 GGAAMO Cn1cccc1[C@@H](CNS(=O)(=O)c1ccc(C(C)(C)C)cc1)[NH+]1CCCC1 ZINC000011846846 221132184 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O=C(COc1ncnc2ccccc21)N[C@@H]1CCC[N@@H+](CC2CCCCC2)C1 ZINC000011879210 221135329 /nfs/dbraw/zinc/13/53/29/221135329.db2.gz DREPEYFRMRIPJH-GOSISDBHSA-N 1 1 382.508 3.170 50 0 GGAAMO Cn1cccc1[C@H](CNS(=O)(=O)c1ccc(F)cc1)[NH+]1CCCCCC1 ZINC000011897712 221135022 /nfs/dbraw/zinc/13/50/22/221135022.db2.gz KVNVSKDDYCANFB-IBGZPJMESA-N 1 1 379.501 3.060 50 0 GGAAMO COC(=O)c1ccc(C(=O)N[C@H]2CCC[N@@H+](CCCc3ccccc3)C2)cc1 ZINC000011661732 221118667 /nfs/dbraw/zinc/11/86/67/221118667.db2.gz MTJIJDFBEAAWGD-NRFANRHFSA-N 1 1 380.488 3.300 50 0 GGAAMO COCCN(Cc1ccccn1)C[C@H]1CCC[N@H+](C2Cc3ccccc3C2)C1 ZINC000011662729 221118891 /nfs/dbraw/zinc/11/88/91/221118891.db2.gz XXEMMYISHJZQBA-HXUWFJFHSA-N 1 1 379.548 3.409 50 0 GGAAMO COCCN(Cc1ccccn1)C[C@@H]1CCC[N@H+](C2Cc3ccccc3C2)C1 ZINC000011662728 221118928 /nfs/dbraw/zinc/11/89/28/221118928.db2.gz XXEMMYISHJZQBA-FQEVSTJZSA-N 1 1 379.548 3.409 50 0 GGAAMO COCCN(Cc1cccnc1)C[C@@H]1CCC[N@H+](C2Cc3ccccc3C2)C1 ZINC000011667790 221119775 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GGAAMO O=C(N[C@@H]1CCC[N@@H+](Cc2ccccc2F)C1)c1cnn(Cc2ccccc2)c1 ZINC000011934216 221137717 /nfs/dbraw/zinc/13/77/17/221137717.db2.gz FFWIBTWYGNIRQN-OAQYLSRUSA-N 1 1 392.478 3.465 50 0 GGAAMO O=C(N[C@@H]1CCC[N@H+](Cc2ccccc2F)C1)c1cnn(Cc2ccccc2)c1 ZINC000011934216 221137719 /nfs/dbraw/zinc/13/77/19/221137719.db2.gz FFWIBTWYGNIRQN-OAQYLSRUSA-N 1 1 392.478 3.465 50 0 GGAAMO Cc1ncc(C[N@H+]2CC[C@@]3(C2)CCCN(CCCc2ccccc2)C3=O)cn1 ZINC000011935023 221139834 /nfs/dbraw/zinc/13/98/34/221139834.db2.gz SARXBCGCXCQINU-HSZRJFAPSA-N 1 1 378.520 3.232 50 0 GGAAMO COCCOC1CC[NH+](Cc2nc(-c3ccc(C(F)(F)F)cc3)no2)CC1 ZINC000011934744 221139839 /nfs/dbraw/zinc/13/98/39/221139839.db2.gz KPTOLNINLZRHEA-UHFFFAOYSA-N 1 1 385.386 3.383 50 0 GGAAMO CC(C)Cc1ccc(C[N@H+]2CCC[C@H](NC(=O)CCN3CCCCC3=O)C2)cc1 ZINC000012000012 221141525 /nfs/dbraw/zinc/14/15/25/221141525.db2.gz XURYBHLZXVQQPK-QFIPXVFZSA-N 1 1 399.579 3.368 50 0 GGAAMO COCc1ccc(C[N@H+]2CCC[C@@H](CNC(=O)Cc3ccc(OC)cc3)C2)o1 ZINC000012003053 221141783 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3.390 50 0 GGAAMO O=C(NC1CCCCCCC1)[C@@H]1CCC[N@H+](C2CCN(C(=O)C3CC3)CC2)C1 ZINC000012027024 221144089 /nfs/dbraw/zinc/14/40/89/221144089.db2.gz BPTGDSGZWWSPJF-LJQANCHMSA-N 1 1 389.584 3.329 50 0 GGAAMO C[C@H](Cc1ccc2c(c1)OCO2)C[N@@H+]1CCC(=O)N(Cc2cccc(F)c2)CC1 ZINC000012041595 221144566 /nfs/dbraw/zinc/14/45/66/221144566.db2.gz NUMYXCXSAKVRAH-QGZVFWFLSA-N 1 1 398.478 3.468 50 0 GGAAMO C[C@@H](Cc1ccc2c(c1)OCO2)C[N@@H+]1CCC(=O)N(Cc2cccc(F)c2)CC1 ZINC000012041599 221144800 /nfs/dbraw/zinc/14/48/00/221144800.db2.gz NUMYXCXSAKVRAH-KRWDZBQOSA-N 1 1 398.478 3.468 50 0 GGAAMO COCCC(=O)N(C)C[C@H]1CCC[N@@H+](CCc2cccc(C(F)(F)F)c2)C1 ZINC000012054435 221145851 /nfs/dbraw/zinc/14/58/51/221145851.db2.gz JNFMQEKYGMCLQQ-QGZVFWFLSA-N 1 1 386.458 3.455 50 0 GGAAMO COCc1ccc(C[N@H+]2CC[C@]3(C2)CCCN(Cc2cccc(OC)c2)C3=O)o1 ZINC000012072462 221146501 /nfs/dbraw/zinc/14/65/01/221146501.db2.gz ZLLHPRMHLFUITQ-QHCPKHFHSA-N 1 1 398.503 3.449 50 0 GGAAMO COc1ccc(F)c(C[N@H+]2CCC[C@@]3(CCN(C(=O)c4cnc(C)cn4)C3)C2)c1 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385.508 3.170 50 0 GGAAMO COc1ccc(C[N@H+]2CCC[C@@H](n3cc(C(=O)N4CCCCC4)nn3)C2)cc1C ZINC000011909118 221136567 /nfs/dbraw/zinc/13/65/67/221136567.db2.gz AWDMLZXOMIWQMV-LJQANCHMSA-N 1 1 397.523 3.058 50 0 GGAAMO CC(C)NC(=O)c1cn([C@H]2CCC[N@@H+](Cc3cc4ccccc4s3)C2)nn1 ZINC000012280042 221174945 /nfs/dbraw/zinc/17/49/45/221174945.db2.gz PWDFHYZQJGEOAR-INIZCTEOSA-N 1 1 383.521 3.468 50 0 GGAAMO c1csc(CNc2nc3nonc3nc2N2CCC[N@H+](C3CCCC3)CC2)c1 ZINC000012298035 221175283 /nfs/dbraw/zinc/17/52/83/221175283.db2.gz ZSWDNGAHPFSMOA-UHFFFAOYSA-N 1 1 399.524 3.141 50 0 GGAAMO CCn1ccnc1CN1CC[C@@]2(C1)CCC[N@@H+](Cc1cccc(OC)c1OC)C2 ZINC000012300031 221175860 /nfs/dbraw/zinc/17/58/60/221175860.db2.gz TYNOJWZDJUOUNI-QHCPKHFHSA-N 1 1 398.551 3.408 50 0 GGAAMO Cc1c(C)c(=O)oc2cc(OCC(=O)NC[C@@H]3CCC[N@H+]4CCCC[C@H]34)ccc12 ZINC000012296544 221176099 /nfs/dbraw/zinc/17/60/99/221176099.db2.gz HCVVNZPIPGXUFG-FXAWDEMLSA-N 1 1 398.503 3.169 50 0 biogenic GGAAMO CCc1cc(=O)oc2cc(OCC(=O)NC[C@@H]3CCC[N@H+]4CCCC[C@H]34)ccc12 ZINC000012296492 221176195 /nfs/dbraw/zinc/17/61/95/221176195.db2.gz CBDGLJTVHPMABF-FXAWDEMLSA-N 1 1 398.503 3.115 50 0 biogenic GGAAMO O=C1N(c2ccccc2)C[C@@H]2C[C@@H](c3cccn3-c3ncccn3)[N@H+]3CCC[C@@]123 ZINC000012298717 221176382 /nfs/dbraw/zinc/17/63/82/221176382.db2.gz XCIQETAIZGHJJE-NYDSKATKSA-N 1 1 385.471 3.210 50 0 GGAAMO C[N@@H+](CCc1ccccc1)C1(C(=O)NCc2ccncc2)Cc2ccccc2C1 ZINC000012299257 221176472 /nfs/dbraw/zinc/17/64/72/221176472.db2.gz REBGVYADXNPCCF-UHFFFAOYSA-N 1 1 385.511 3.410 50 0 GGAAMO COc1ccc(N[C@H]2CCC[N@@H+](Cc3cccc(OCCO)c3)C2)cc1OC ZINC000012299544 221176689 /nfs/dbraw/zinc/17/66/89/221176689.db2.gz FPINOUVWFQSKHB-IBGZPJMESA-N 1 1 386.492 3.151 50 0 GGAAMO COc1ccc(-c2n[nH]cc2C[N@H+]2CCC[C@@H](CCC(=O)NC3CC3)C2)cc1 ZINC000012302435 221177299 /nfs/dbraw/zinc/17/72/99/221177299.db2.gz WRNMSDTTXCZLFI-INIZCTEOSA-N 1 1 382.508 3.356 50 0 GGAAMO Cc1nccn1-c1ccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccncc3)C2)cc1 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O=C(c1ccoc1)N1CCC2(CC1)c1ccccc1[C@@H]([N@@H+]1CC=CCC1)[C@@H]2O ZINC000019149020 221399408 /nfs/dbraw/zinc/39/94/08/221399408.db2.gz XYLSIACJXARZFX-RTWAWAEBSA-N 1 1 378.472 3.131 50 0 GGAAMO COc1ccc([C@H](CNC(=O)c2cc(=O)c3ccccc3o2)[NH+]2CCCC2)cc1 ZINC000017911545 221385046 /nfs/dbraw/zinc/38/50/46/221385046.db2.gz AJKBCVBKFYYUIG-IBGZPJMESA-N 1 1 392.455 3.369 50 0 GGAAMO COc1ccc(N2C(=O)C[C@H]([NH+]3CCC(c4ccc(F)cc4)CC3)C2=O)cc1 ZINC000018220161 221389875 /nfs/dbraw/zinc/38/98/75/221389875.db2.gz YZFQOPUZIAAIPI-FQEVSTJZSA-N 1 1 382.435 3.346 50 0 GGAAMO CCOc1ccc(N2C(=O)C[C@H](NNc3[nH+]cc(Cl)cc3Cl)C2=O)cc1 ZINC000018323044 221393055 /nfs/dbraw/zinc/39/30/55/221393055.db2.gz JZRKZEIWKROEPY-AWEZNQCLSA-N 1 1 395.246 3.036 50 0 GGAAMO CCn1cc(-c2cc(C(=O)N(C)C[C@H]3CCC[N@H+]3C)c3ccc(F)cc3n2)cn1 ZINC000019113335 221395808 /nfs/dbraw/zinc/39/58/08/221395808.db2.gz ODQRXUWVIGWCIZ-QGZVFWFLSA-N 1 1 395.482 3.424 50 0 GGAAMO C[NH+]1CCN([C@@H](CNC(=O)c2cc(-c3ccccc3)on2)c2cccs2)CC1 ZINC000019796772 221453756 /nfs/dbraw/zinc/45/37/56/221453756.db2.gz JKVBNHJVCHTTCI-SFHVURJKSA-N 1 1 396.516 3.122 50 0 GGAAMO O=C1C[C@H]([NH+]2CCC(c3nc4ccccc4[nH]3)CC2)C(=O)N1c1ccccc1F ZINC000019809792 221456401 /nfs/dbraw/zinc/45/64/01/221456401.db2.gz NUNBWEGFWHOIAK-IBGZPJMESA-N 1 1 392.434 3.214 50 0 GGAAMO CO[C@@H]1CC[C@@]2(OC)CC[N@@H+](Cc3ccc4cc(NC(C)=O)ccc4n3)[C@H]2C1 ZINC000426479766 533432227 /nfs/dbraw/zinc/43/22/27/533432227.db2.gz PVINSAKAUMWJNF-BAGYTPMASA-N 1 1 383.492 3.352 50 0 GGAAMO COc1ccc(CN(C(=O)NC[C@H]2CC[N@@H+](C)C2)C2CCCCC2)c(OC)c1 ZINC000426422020 533515571 /nfs/dbraw/zinc/51/55/71/533515571.db2.gz QWISPDNHVLHHBX-QGZVFWFLSA-N 1 1 389.540 3.500 50 0 GGAAMO CSCC[NH+]1CCN(C(=O)NCc2ccc(C(F)(F)F)cc2F)CC1 ZINC000426574942 533581415 /nfs/dbraw/zinc/58/14/15/533581415.db2.gz BVRPCHSJKLZOTA-UHFFFAOYSA-N 1 1 379.423 3.035 50 0 GGAAMO COc1cccc(OC)c1CNC(=O)N1CCC[N@H+](C2CCCCC2)CC1 ZINC000426661276 533629026 /nfs/dbraw/zinc/62/90/26/533629026.db2.gz OLTSUPZTFRCERS-UHFFFAOYSA-N 1 1 375.513 3.254 50 0 GGAAMO Cc1ccc(C(N)=O)c(N2CC[C@]3(C2)CCC[N@@H+](CCCc2ccccc2)C3)n1 ZINC000426518819 533644318 /nfs/dbraw/zinc/64/43/18/533644318.db2.gz QIBJLQNBQNJPAL-XMMPIXPASA-N 1 1 392.547 3.414 50 0 GGAAMO C[C@@H]1CCC(=O)N1c1ccc(N2CCC([N@H+]3CC[C@H](n4ccnc4)C3)CC2)cc1 ZINC000039454732 132391473 /nfs/dbraw/zinc/39/14/73/132391473.db2.gz KWCSLOJBJUSRCR-GCJKJVERSA-N 1 1 393.535 3.314 50 0 GGAAMO COc1ccc2c(C[NH+]3CCN(c4ccccc4OC)CC3)cc(=O)oc2c1 ZINC000055043888 132442864 /nfs/dbraw/zinc/44/28/64/132442864.db2.gz CFRHEEMXNGAVJJ-UHFFFAOYSA-N 1 1 380.444 3.132 50 0 biogenic,in-vitro GGAAMO Cc1nc(C(=O)N2CCC[C@H]([NH+]3CCN(c4ccc(F)cc4)CC3)C2)cs1 ZINC000061927179 136156096 /nfs/dbraw/zinc/15/60/96/136156096.db2.gz FNILZUBDUQJFOH-SFHVURJKSA-N 1 1 388.512 3.017 50 0 GGAAMO C[C@H](C(=O)N1CCc2[nH]c3ccccc3c2C1)[NH+]1CCN(c2ccccc2)CC1 ZINC000061880691 136156131 /nfs/dbraw/zinc/15/61/31/136156131.db2.gz GCMVIKRZUOMILV-GOSISDBHSA-N 1 1 388.515 3.263 50 0 GGAAMO c1cncc(COC2CCN(c3nc(C4CCCC4)nc4c3C[NH2+]C4)CC2)c1 ZINC000072164015 136167350 /nfs/dbraw/zinc/16/73/50/136167350.db2.gz SZOAMQFJUJTHBL-UHFFFAOYSA-N 1 1 379.508 3.318 50 0 GGAAMO CCn1ccnc1C[N@H+]1CCCC12CCN(c1cnc3ccccc3n1)CC2 ZINC000072409582 136169613 /nfs/dbraw/zinc/16/96/13/136169613.db2.gz FZHMYRAVRRNKAO-UHFFFAOYSA-N 1 1 376.508 3.481 50 0 GGAAMO OCC[C@@H]1CN(c2ccc(-c3ccccc3)nn2)CC[N@H+]1Cc1cccs1 ZINC000072409343 136169617 /nfs/dbraw/zinc/16/96/17/136169617.db2.gz UBLFZVNLHFTTBC-GOSISDBHSA-N 1 1 380.517 3.278 50 0 GGAAMO Cc1cccc(N2CCC3(CCC[N@H+]3Cc3ccc(OCCO)cc3)CC2)n1 ZINC000072447799 136170869 /nfs/dbraw/zinc/17/08/69/136170869.db2.gz BJZPBKQEDVPTMH-UHFFFAOYSA-N 1 1 381.520 3.396 50 0 GGAAMO c1cc([C@H]2CCC[N@H+](Cc3cc4ccccc4nc3N3CCOCC3)C2)n[nH]1 ZINC000077453090 136172225 /nfs/dbraw/zinc/17/22/25/136172225.db2.gz XYDAJKBBFIZGTK-SFHVURJKSA-N 1 1 377.492 3.174 50 0 GGAAMO O=C(c1cccc2ccccc21)N1CCN(c2cc[nH+]c(N3CCCC3)n2)CC1 ZINC000082230674 136174542 /nfs/dbraw/zinc/17/45/42/136174542.db2.gz ZVWARYZTLJEQLB-UHFFFAOYSA-N 1 1 387.487 3.192 50 0 GGAAMO Cc1cc(C)cc(NC(=O)N2CCN(c3cc[nH+]c(N4CCCCC4)n3)CC2)c1 ZINC000082230329 136174577 /nfs/dbraw/zinc/17/45/77/136174577.db2.gz UNDKMDZSKBNNRJ-UHFFFAOYSA-N 1 1 394.523 3.438 50 0 GGAAMO CC(C)Nc1cc[nH+]c(N2CCC[C@@H](c3nccn3Cc3cccnc3)C2)n1 ZINC000091486185 136176577 /nfs/dbraw/zinc/17/65/77/136176577.db2.gz OUWSWIHMPJYPAM-GOSISDBHSA-N 1 1 377.496 3.321 50 0 GGAAMO CCc1cc(N2CCC3(CCC(=O)N(CCc4ccccn4)C3)CC2)nc(C)[nH+]1 ZINC000091574701 136176716 /nfs/dbraw/zinc/17/67/16/136176716.db2.gz MANIGFOUJIEADX-UHFFFAOYSA-N 1 1 393.535 3.194 50 0 GGAAMO CNC(=O)c1ccnc(N2CCC3(CC2)C[C@@H](c2ccccc2)C[N@@H+](C)C3)c1 ZINC000091562720 136176718 /nfs/dbraw/zinc/17/67/18/136176718.db2.gz QULQZSQVCPSCHZ-HXUWFJFHSA-N 1 1 378.520 3.147 50 0 GGAAMO COC(=O)c1cccc(-c2cnc(N3CC[NH+](C)CC3)c(C(F)(F)F)c2)c1 ZINC000091695160 136176989 /nfs/dbraw/zinc/17/69/89/136176989.db2.gz ZCQLETUJHTVADR-UHFFFAOYSA-N 1 1 379.382 3.306 50 0 GGAAMO CC[N@H+]1C[C@@H](c2ccccc2)CC2(CCN(c3ncccc3C(N)=O)CC2)C1 ZINC000091907380 136177259 /nfs/dbraw/zinc/17/72/59/136177259.db2.gz GQIGBRNJLIAEKW-IBGZPJMESA-N 1 1 378.520 3.277 50 0 GGAAMO CCCCSc1nc(N2CCN(Cc3csc(C)n3)CC2)cc(N)[nH+]1 ZINC000095354387 136177905 /nfs/dbraw/zinc/17/79/05/136177905.db2.gz TVSIHCVKNKWHGG-UHFFFAOYSA-N 1 1 378.571 3.038 50 0 GGAAMO CC(C)Nc1cc[nH+]c(N2CCC[C@@H](c3nccn3Cc3ccccn3)C2)n1 ZINC000095358566 136177982 /nfs/dbraw/zinc/17/79/82/136177982.db2.gz YGAYFAFWEZETEI-QGZVFWFLSA-N 1 1 377.496 3.321 50 0 GGAAMO CC(C)Nc1cc[nH+]c(N2CCC[C@H](c3nccn3Cc3ccccn3)C2)n1 ZINC000095358565 136178114 /nfs/dbraw/zinc/17/81/14/136178114.db2.gz YGAYFAFWEZETEI-KRWDZBQOSA-N 1 1 377.496 3.321 50 0 GGAAMO Nc1nc(N2CCC[C@@H](C(=O)Nc3ccccc3Oc3cccnc3)C2)cc[nH+]1 ZINC000095521607 136181124 /nfs/dbraw/zinc/18/11/24/136181124.db2.gz YBPATSYGKLOANL-OAHLLOKOSA-N 1 1 390.447 3.101 50 0 GGAAMO OCC[C@H]1C[N@H+](C2CCN(c3ccccc3)CC2)CCN1Cc1ccccc1F ZINC000105901185 136191480 /nfs/dbraw/zinc/19/14/80/136191480.db2.gz YKZYITYJODBZAE-QHCPKHFHSA-N 1 1 397.538 3.363 50 0 GGAAMO O=C(C[N@H+]1CC[C@H](c2ccccc2)C1)NC1CCN(c2ccccc2F)CC1 ZINC000219936271 136204580 /nfs/dbraw/zinc/20/45/80/136204580.db2.gz RRWYBQOAKYGGIT-IBGZPJMESA-N 1 1 381.495 3.400 50 0 GGAAMO O=C(COc1coc(C[NH+]2CCCCC2)cc1=O)Nc1cc(F)c(F)c(F)c1 ZINC000044890959 221955495 /nfs/dbraw/zinc/95/54/95/221955495.db2.gz SMMKDRDYZYCUQD-UHFFFAOYSA-N 1 1 396.365 3.061 50 0 GGAAMO COc1ccc(CN2C(=O)O[C@@H]3C[N@@H+](Cc4ccc(C)cc4)C[C@@H]32)cc1OC ZINC000055575941 222023228 /nfs/dbraw/zinc/02/32/28/222023228.db2.gz BGFCJENWJWCPSM-GHTZIAJQSA-N 1 1 382.460 3.217 50 0 GGAAMO COc1ccc(CN2C(=O)O[C@@H]3C[N@H+](Cc4ccc(C)cc4)C[C@@H]32)cc1OC ZINC000055575941 222023233 /nfs/dbraw/zinc/02/32/33/222023233.db2.gz BGFCJENWJWCPSM-GHTZIAJQSA-N 1 1 382.460 3.217 50 0 GGAAMO COCCn1cc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)c2ccccc21 ZINC000057427073 222032234 /nfs/dbraw/zinc/03/22/34/222032234.db2.gz MOHCVLGIWVHLJF-UHFFFAOYSA-N 1 1 377.488 3.246 50 0 GGAAMO C[N@H+]1CCCN(Cc2nc(-c3ccc(OCc4ccccc4)cc3)no2)CC1 ZINC000057427860 222032406 /nfs/dbraw/zinc/03/24/06/222032406.db2.gz WGIUWJCLSHHNSE-UHFFFAOYSA-N 1 1 378.476 3.453 50 0 GGAAMO COC(=O)C1C(C[NH2+]Cc2ccc(F)cc2)=NC(=O)N[C@@H]1c1cc(C)ccc1C ZINC000054979073 222014693 /nfs/dbraw/zinc/01/46/93/222014693.db2.gz QTPKZFAINQPMSG-HXUWFJFHSA-N 1 1 397.450 3.013 50 0 GGAAMO CC[NH+]1CCN(C(=O)c2cnn3c2nc(-c2ccccc2)cc3C(F)F)CC1 ZINC000055009909 222014824 /nfs/dbraw/zinc/01/48/24/222014824.db2.gz NXOIAYJTBOUBED-UHFFFAOYSA-N 1 1 385.418 3.112 50 0 GGAAMO COC(=O)C1C(C[NH2+]Cc2ccc(F)cc2)=NC(=O)N[C@H]1c1ccc(C)cc1C ZINC000054979063 222014935 /nfs/dbraw/zinc/01/49/35/222014935.db2.gz XSBVWGNGFDSQJB-FQEVSTJZSA-N 1 1 397.450 3.013 50 0 GGAAMO CCOC(=O)[C@]1(Cc2cccc(Cl)c2)CCC[N@@H+](Cc2cnc(N)nc2)C1 ZINC000055167078 222016235 /nfs/dbraw/zinc/01/62/35/222016235.db2.gz CZLWZKIPLFSFRF-FQEVSTJZSA-N 1 1 388.899 3.100 50 0 GGAAMO CC[NH+]1CCN(C(=O)c2cnn3c2nc(-c2ccc(C)cc2)cc3C(F)F)CC1 ZINC000055260881 222017601 /nfs/dbraw/zinc/01/76/01/222017601.db2.gz ABRBJPZAPLWUTA-UHFFFAOYSA-N 1 1 399.445 3.420 50 0 GGAAMO COCC[N@H+]1CC[C@@H](CNC(=O)c2ccc(Oc3ccc(OC)cc3)cc2)C1 ZINC000055228123 222017680 /nfs/dbraw/zinc/01/76/80/222017680.db2.gz AEWHZRREPXTPTI-KRWDZBQOSA-N 1 1 384.476 3.186 50 0 GGAAMO Cc1nn(C)c(N2CCOCC2)c1C[N@H+]1CCC[C@H](COc2ccc(C)cc2)C1 ZINC000055228171 222018894 /nfs/dbraw/zinc/01/88/94/222018894.db2.gz VTUWTOOBXAFERQ-FQEVSTJZSA-N 1 1 398.551 3.165 50 0 GGAAMO COCCCC[NH+]1CCN(C(=O)c2ccc(NC(=O)c3ccco3)c(C)c2)CC1 ZINC000055281703 222019083 /nfs/dbraw/zinc/01/90/83/222019083.db2.gz KCWPEJPKYVIZDN-UHFFFAOYSA-N 1 1 399.491 3.025 50 0 GGAAMO C[N@H+](Cc1ccc(Sc2ncccn2)o1)C[C@@H]1CC(=O)N(C2CCCC2)C1 ZINC000055402423 222021970 /nfs/dbraw/zinc/02/19/70/222021970.db2.gz QXJKBFJJDOPQJK-HNNXBMFYSA-N 1 1 386.521 3.444 50 0 GGAAMO Cc1[nH]c2cc(C)ccc2c1C(=O)C[N@H+]1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2 ZINC000058979762 222056503 /nfs/dbraw/zinc/05/65/03/222056503.db2.gz HRMQEOCUSMGTOV-SJORKVTESA-N 1 1 375.472 3.248 50 0 biogenic GGAAMO CC[NH+]1CCN(C(=O)/C(=C/c2cccs2)NC(=O)c2ccc(C)c(C)c2)CC1 ZINC000061971810 222064253 /nfs/dbraw/zinc/06/42/53/222064253.db2.gz UGSNEBQCSWWBOX-HKWRFOASSA-N 1 1 397.544 3.300 50 0 GGAAMO CCn1cc(-c2cc(C(=O)N3CCC[N@@H+](C)C[C@H]3C)c3ccccc3n2)cn1 ZINC000063832377 222067215 /nfs/dbraw/zinc/06/72/15/222067215.db2.gz CIFCFQPTSPPKCS-MRXNPFEDSA-N 1 1 377.492 3.284 50 0 GGAAMO Cc1ccc2c(C(=O)N3CC[N@H+]4CCC[C@H]4C3)cc(-c3cnn(C)c3)nc2c1C ZINC000063871623 222069234 /nfs/dbraw/zinc/06/92/34/222069234.db2.gz PVBAWSFRLZKDEZ-SFHVURJKSA-N 1 1 389.503 3.172 50 0 GGAAMO Cc1ccc2c(C(=O)N(C)[C@H]3CC[N@@H+](C)C3)cc(-c3cnn(C)c3)nc2c1C ZINC000063882738 222069644 /nfs/dbraw/zinc/06/96/44/222069644.db2.gz VUJXSXXLFMQGOA-KRWDZBQOSA-N 1 1 377.492 3.028 50 0 GGAAMO CC(C)CNC(=O)c1cn([C@@H]2CCC[N@H+](Cc3nc4ccccc4s3)C2)nn1 ZINC000064609788 222075904 /nfs/dbraw/zinc/07/59/04/222075904.db2.gz NFNNYYSMQASPRG-OAHLLOKOSA-N 1 1 398.536 3.111 50 0 GGAAMO CC(C)CNC(=O)c1cn([C@@H]2CCC[N@@H+](Cc3nc4ccccc4s3)C2)nn1 ZINC000064609788 222075910 /nfs/dbraw/zinc/07/59/10/222075910.db2.gz NFNNYYSMQASPRG-OAHLLOKOSA-N 1 1 398.536 3.111 50 0 GGAAMO O=C([C@H]1CCC[N@H+](C2CCN(Cc3cc(F)cc(F)c3)CC2)C1)N1CCCC1 ZINC000071747468 222189313 /nfs/dbraw/zinc/18/93/13/222189313.db2.gz GZGFLZWHNVTPLL-SFHVURJKSA-N 1 1 391.506 3.264 50 0 GGAAMO Cc1nc(NCCNC(=O)c2ccc3ccccc3c2)cc(N2CCCC2)[nH+]1 ZINC000065362915 222124492 /nfs/dbraw/zinc/12/44/92/222124492.db2.gz HDXOLCLBTLKQNR-UHFFFAOYSA-N 1 1 375.476 3.380 50 0 GGAAMO CCc1ccc(NC(=O)NCCNc2cc(-n3ccnc3C)nc(C)[nH+]2)cc1 ZINC000065364494 222124721 /nfs/dbraw/zinc/12/47/21/222124721.db2.gz OXSAKMXPNHXYFA-UHFFFAOYSA-N 1 1 379.468 3.075 50 0 GGAAMO CSc1ccccc1NC(=O)CCC(=O)N(C)CC[N@H+]1CCCC[C@H]1C ZINC000065395998 222126106 /nfs/dbraw/zinc/12/61/06/222126106.db2.gz NZUDIHIPLRESOZ-MRXNPFEDSA-N 1 1 377.554 3.460 50 0 GGAAMO CSc1ccccc1NC(=O)CCC(=O)N(C)CC[N@H+]1CCCC[C@@H]1C ZINC000065395999 222127052 /nfs/dbraw/zinc/12/70/52/222127052.db2.gz NZUDIHIPLRESOZ-INIZCTEOSA-N 1 1 377.554 3.460 50 0 GGAAMO CC[C@@H]1C[N@@H+](Cc2cccc(OCCO)c2)CCC(=O)N1Cc1ccccc1 ZINC000071747515 222189430 /nfs/dbraw/zinc/18/94/30/222189430.db2.gz OHAJFDDRICDAEO-OAQYLSRUSA-N 1 1 382.504 3.071 50 0 GGAAMO CCn1cc(-c2c(-c3ccccc3)ncn2CC[N@H+]2CCCC[C@@H]2CO)cn1 ZINC000065404181 222127951 /nfs/dbraw/zinc/12/79/51/222127951.db2.gz LBRMENPTRBKTSY-HXUWFJFHSA-N 1 1 379.508 3.280 50 0 GGAAMO CCn1ncnc1NC(=O)c1cccc(C[N@@H+]2CCC[C@H]2c2cc(C)no2)c1 ZINC000065409130 222128062 /nfs/dbraw/zinc/12/80/62/222128062.db2.gz BKQXAHJYHNVGSD-KRWDZBQOSA-N 1 1 380.452 3.184 50 0 GGAAMO CCn1ncnc1NC(=O)c1cccc(C[N@H+]2CCC[C@H]2c2cc(C)no2)c1 ZINC000065409130 222128067 /nfs/dbraw/zinc/12/80/67/222128067.db2.gz BKQXAHJYHNVGSD-KRWDZBQOSA-N 1 1 380.452 3.184 50 0 GGAAMO c1cncc(-c2nc3cc(C[C@@H]4CC[C@H](C[NH+]5CCOCC5)O4)ccc3o2)c1 ZINC000065420632 222128279 /nfs/dbraw/zinc/12/82/79/222128279.db2.gz JQDFUFWQHWWMNE-RBUKOAKNSA-N 1 1 379.460 3.312 50 0 GGAAMO CCn1ncnc1NC(=O)c1cccc(C[N@@H+]2CCC[C@@H]2c2cc(C)no2)c1 ZINC000065409129 222128296 /nfs/dbraw/zinc/12/82/96/222128296.db2.gz BKQXAHJYHNVGSD-QGZVFWFLSA-N 1 1 380.452 3.184 50 0 GGAAMO CCn1ncnc1NC(=O)c1cccc(C[N@H+]2CCC[C@@H]2c2cc(C)no2)c1 ZINC000065409129 222128297 /nfs/dbraw/zinc/12/82/97/222128297.db2.gz BKQXAHJYHNVGSD-QGZVFWFLSA-N 1 1 380.452 3.184 50 0 GGAAMO Cc1ncc(CO)c(C[N@H+]2CC[C@H](c3ccnc(-c4cccc(O)c4)c3)C2)c1O ZINC000065419437 222128393 /nfs/dbraw/zinc/12/83/93/222128393.db2.gz ZQJCJBDNBCGVRJ-SFHVURJKSA-N 1 1 391.471 3.345 50 0 GGAAMO CN(Cc1ccoc1)C(=O)[C@@H]1CCC[N@H+](C2CCN(Cc3cccnc3)CC2)C1 ZINC000071747611 222189553 /nfs/dbraw/zinc/18/95/53/222189553.db2.gz RYAFKIMXOBDIPM-OAQYLSRUSA-N 1 1 396.535 3.010 50 0 GGAAMO CCC1(CNC(=O)[C@@H]2CCC[N@H+](C3CCN(Cc4cccnc4)CC3)C2)CC1 ZINC000071748310 222189881 /nfs/dbraw/zinc/18/98/81/222189881.db2.gz LBSXLBVJCDEBQM-HXUWFJFHSA-N 1 1 384.568 3.064 50 0 GGAAMO Cc1cccc(CNC(=O)[C@@H]2CCC[N@H+](C3CCN(C(=O)C4CC4)CC3)C2)c1C ZINC000071749350 222189915 /nfs/dbraw/zinc/18/99/15/222189915.db2.gz SIJIKAOIBOPGJO-OAQYLSRUSA-N 1 1 397.563 3.033 50 0 GGAAMO CCc1ccc(Nc2n[nH]nc2C(=O)N2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000067284179 222144426 /nfs/dbraw/zinc/14/44/26/222144426.db2.gz CFQAQXLBQHOGOW-UHFFFAOYSA-N 1 1 382.512 3.201 50 0 GGAAMO O=C(NC1CC1)[C@H]1CCC[N@H+](C2CCN(c3ccc4ccccc4n3)CC2)C1 ZINC000071750590 222190116 /nfs/dbraw/zinc/19/01/16/222190116.db2.gz PSAGNROUPNMGST-SFHVURJKSA-N 1 1 378.520 3.194 50 0 GGAAMO CC[NH+]1CCN(Cc2cc(C(=O)NC3CC(C)(C)CC(C)(C)C3)no2)CC1 ZINC000067472841 222146577 /nfs/dbraw/zinc/14/65/77/222146577.db2.gz NYGGEVIGELOOSC-UHFFFAOYSA-N 1 1 376.545 3.147 50 0 GGAAMO Oc1cc(-c2cccc(Cl)c2)cc2c1OCC[N@H+](CCN1CCOCC1)C2 ZINC000067515161 222147916 /nfs/dbraw/zinc/14/79/16/222147916.db2.gz DNYISSFUTRTLQE-UHFFFAOYSA-N 1 1 388.895 3.239 50 0 GGAAMO Oc1cc(-c2cccc(Cl)c2)cc2c1OCC[N@@H+](CCN1CCOCC1)C2 ZINC000067515161 222147919 /nfs/dbraw/zinc/14/79/19/222147919.db2.gz DNYISSFUTRTLQE-UHFFFAOYSA-N 1 1 388.895 3.239 50 0 GGAAMO Cc1ccc(C(=O)N2CCN(c3cc(N4CCCCC4)nc(C)[nH+]3)CC2)c(C)c1 ZINC000067601935 222148712 /nfs/dbraw/zinc/14/87/12/222148712.db2.gz VNALPOOLTWTQLA-UHFFFAOYSA-N 1 1 393.535 3.355 50 0 GGAAMO CCNc1cc(N2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)[nH+]c(C)n1 ZINC000067603973 222150327 /nfs/dbraw/zinc/15/03/27/222150327.db2.gz WJWFCYTXEUDERT-UHFFFAOYSA-N 1 1 393.413 3.198 50 0 GGAAMO CCNc1cc(N2CCN(C(=O)c3cccc(C(F)(F)F)c3)CC2)[nH+]c(C)n1 ZINC000067620732 222151612 /nfs/dbraw/zinc/15/16/12/222151612.db2.gz SFAHNYRXKCWXOW-UHFFFAOYSA-N 1 1 393.413 3.198 50 0 GGAAMO Cc1[nH+]ccn1-c1cc(NCCNC(=O)Nc2cccc(Cl)c2C)ncn1 ZINC000067613024 222151665 /nfs/dbraw/zinc/15/16/65/222151665.db2.gz QWAXDNUBKDUEQM-UHFFFAOYSA-N 1 1 385.859 3.166 50 0 GGAAMO Cc1cc(C[N@@H+](C)C[C@]2(O)CCCN(Cc3ccc(C(C)C)cc3)C2=O)no1 ZINC000067654559 222151945 /nfs/dbraw/zinc/15/19/45/222151945.db2.gz DXGSIBNZIBNIBT-JOCHJYFZSA-N 1 1 385.508 3.092 50 0 GGAAMO Cc1cc(C[N@H+](C)C[C@]2(O)CCCN(Cc3ccc(C(C)C)cc3)C2=O)no1 ZINC000067654559 222151947 /nfs/dbraw/zinc/15/19/47/222151947.db2.gz DXGSIBNZIBNIBT-JOCHJYFZSA-N 1 1 385.508 3.092 50 0 GGAAMO CCNC(=O)CC[N@@H+]1CCOc2c(O)cc(-c3nc4ccccc4s3)cc2C1 ZINC000067674619 222154363 /nfs/dbraw/zinc/15/43/63/222154363.db2.gz HDXQDKOSOFKFPC-UHFFFAOYSA-N 1 1 397.500 3.390 50 0 GGAAMO CCNC(=O)CC[N@H+]1CCOc2c(O)cc(-c3nc4ccccc4s3)cc2C1 ZINC000067674619 222154365 /nfs/dbraw/zinc/15/43/65/222154365.db2.gz HDXQDKOSOFKFPC-UHFFFAOYSA-N 1 1 397.500 3.390 50 0 GGAAMO CC[C@H](C)Oc1c(CN2CCC3(CC2)C[N@H+](C)CCN3C)cccc1OC ZINC000067712692 222155265 /nfs/dbraw/zinc/15/52/65/222155265.db2.gz OMGPDCGQOFPQKP-SFHVURJKSA-N 1 1 375.557 3.084 50 0 GGAAMO CC[C@H](C)Oc1c(CN2CCC3(CC2)C[N@@H+](C)CCN3C)cccc1OC ZINC000067712692 222155269 /nfs/dbraw/zinc/15/52/69/222155269.db2.gz OMGPDCGQOFPQKP-SFHVURJKSA-N 1 1 375.557 3.084 50 0 GGAAMO CN(Cc1ccoc1)C(=O)[C@H]1CCC[N@H+](C2CCN(Cc3cccnc3)CC2)C1 ZINC000071747612 222190422 /nfs/dbraw/zinc/19/04/22/222190422.db2.gz RYAFKIMXOBDIPM-NRFANRHFSA-N 1 1 396.535 3.010 50 0 GGAAMO Cc1ncc(CO)c(C[N@H+]2CC[C@@](O)(c3ccccc3)[C@H]3CCCC[C@@H]32)c1O ZINC000067790143 222158945 /nfs/dbraw/zinc/15/89/45/222158945.db2.gz AQMQNUNLQCAQIA-QNWVGRARSA-N 1 1 382.504 3.240 50 0 GGAAMO C[N@H+]1CC[C@H](C(=O)N2CCOc3c(O)cc(-c4cccc(Cl)c4)cc3C2)C1 ZINC000067774981 222159600 /nfs/dbraw/zinc/15/96/00/222159600.db2.gz ZCKONMIRIWFIHH-HNNXBMFYSA-N 1 1 386.879 3.385 50 0 GGAAMO CC[N@H+]1CCC[C@@](C)(C(=O)NCc2cccnc2-n2cnc3ccccc32)C1 ZINC000067787725 222160060 /nfs/dbraw/zinc/16/00/60/222160060.db2.gz GHAQKDWUVXPWEJ-JOCHJYFZSA-N 1 1 377.492 3.159 50 0 GGAAMO CC(C)c1ccc(CN2CCC[C@@](O)(C[N@@H+](C)Cc3ccccn3)C2=O)cc1 ZINC000067817650 222160768 /nfs/dbraw/zinc/16/07/68/222160768.db2.gz AXEWCNXUBKAWMP-HSZRJFAPSA-N 1 1 381.520 3.191 50 0 GGAAMO CCn1cc(NC(=O)c2cccc(C[N@@H+]3CCC[C@@H]3c3cc(C)no3)c2)nn1 ZINC000067818604 222161100 /nfs/dbraw/zinc/16/11/00/222161100.db2.gz XMOWGHOHJQZJDW-QGZVFWFLSA-N 1 1 380.452 3.184 50 0 GGAAMO CCn1cc(NC(=O)c2cccc(C[N@H+]3CCC[C@@H]3c3cc(C)no3)c2)nn1 ZINC000067818604 222161102 /nfs/dbraw/zinc/16/11/02/222161102.db2.gz XMOWGHOHJQZJDW-QGZVFWFLSA-N 1 1 380.452 3.184 50 0 GGAAMO CCC[C@@H]1CCCN1C(=O)c1coc(CN2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000067804827 222161164 /nfs/dbraw/zinc/16/11/64/222161164.db2.gz OXZQYGPWWUJZFJ-HXUWFJFHSA-N 1 1 396.535 3.397 50 0 GGAAMO CC(C)c1ccc(CN2CCC[C@@](O)(C[N@@H+](C)CCc3ccccn3)C2=O)cc1 ZINC000067847115 222163137 /nfs/dbraw/zinc/16/31/37/222163137.db2.gz MELJZOMKAQWIKV-XMMPIXPASA-N 1 1 395.547 3.233 50 0 GGAAMO CC[N@@H+](C)CC(=O)N1CCOc2c(O)cc(-c3nc4ccccc4s3)cc2C1 ZINC000067846862 222163580 /nfs/dbraw/zinc/16/35/80/222163580.db2.gz HNGMKOCNCUDQLM-UHFFFAOYSA-N 1 1 397.500 3.342 50 0 GGAAMO CN(C[C@H]1CCCC[N@H+]1C)C(=O)c1cc(COc2c(F)cccc2F)on1 ZINC000067842720 222163724 /nfs/dbraw/zinc/16/37/24/222163724.db2.gz GKSUJHCFSMMKDO-CYBMUJFWSA-N 1 1 379.407 3.088 50 0 GGAAMO O=C(c1ccc(-c2ccc3[nH]ccc3c2)nc1)N1CCC([NH+]2CCOCC2)CC1 ZINC000067841536 222163927 /nfs/dbraw/zinc/16/39/27/222163927.db2.gz SKYXVTYYUQKXQU-UHFFFAOYSA-N 1 1 390.487 3.167 50 0 GGAAMO Cc1ccc(C[N@H+]2CCCC[C@@H]2C(=O)Nc2ccc(-n3cnnn3)cc2)s1 ZINC000067883683 222164820 /nfs/dbraw/zinc/16/48/20/222164820.db2.gz XRTBBVIYDDGRAL-GOSISDBHSA-N 1 1 382.493 3.025 50 0 GGAAMO O=C(CCCN1CCCC1=O)N1CC[C@]2(C1)CCC[N@@H+](CC1CCCCC1)C2 ZINC000067872840 222165002 /nfs/dbraw/zinc/16/50/02/222165002.db2.gz TWBABAXMUPTBIZ-HSZRJFAPSA-N 1 1 389.584 3.284 50 0 GGAAMO Cc1cccc(C[N@H+]2CC[C@@]3(C2)CCCN(C(=O)COc2ccccc2)C3)n1 ZINC000067885295 222165145 /nfs/dbraw/zinc/16/51/45/222165145.db2.gz OZRZRPSAFWPEQR-HSZRJFAPSA-N 1 1 379.504 3.284 50 0 GGAAMO CC(C)[C@H](C(=O)N1CCC2(CC1)C[N@@H+](C)CCN2C)c1ccc(Cl)cc1 ZINC000067883995 222165220 /nfs/dbraw/zinc/16/52/20/222165220.db2.gz OLOYTTFDOHQRBY-IBGZPJMESA-N 1 1 377.960 3.318 50 0 GGAAMO CC(C)[C@H](C(=O)N1CCC2(CC1)CN(C)CC[N@@H+]2C)c1ccc(Cl)cc1 ZINC000067883995 222165223 /nfs/dbraw/zinc/16/52/23/222165223.db2.gz OLOYTTFDOHQRBY-IBGZPJMESA-N 1 1 377.960 3.318 50 0 GGAAMO CC(C)[C@H](C(=O)N1CCC2(CC1)CN(C)CC[N@H+]2C)c1ccc(Cl)cc1 ZINC000067883995 222165225 /nfs/dbraw/zinc/16/52/25/222165225.db2.gz OLOYTTFDOHQRBY-IBGZPJMESA-N 1 1 377.960 3.318 50 0 GGAAMO O=C(c1coc(COc2cccc3cnccc32)n1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000067872724 222165306 /nfs/dbraw/zinc/16/53/06/222165306.db2.gz SMJQSSXOMSZGBF-KRWDZBQOSA-N 1 1 392.459 3.112 50 0 GGAAMO O=C(c1coc(COc2cccc3cnccc32)n1)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000067872724 222165310 /nfs/dbraw/zinc/16/53/10/222165310.db2.gz SMJQSSXOMSZGBF-KRWDZBQOSA-N 1 1 392.459 3.112 50 0 GGAAMO CCn1nc(C)c(C[N@@H+](CCOC)Cc2cc3ccc(F)cc3[nH]c2=O)c1C ZINC000067908400 222167910 /nfs/dbraw/zinc/16/79/10/222167910.db2.gz FRFCQEIEYSZLTA-UHFFFAOYSA-N 1 1 386.471 3.149 50 0 GGAAMO C[N@H+]1CCN(CCC(F)(F)F)CC12CCN(C(=O)CC1CCCC1)CC2 ZINC000067909862 222167981 /nfs/dbraw/zinc/16/79/81/222167981.db2.gz ODWAJPKMYADEDP-UHFFFAOYSA-N 1 1 375.479 3.128 50 0 GGAAMO CN1CC[N@H+](CCC(F)(F)F)CC12CCN(C(=O)CC1CCCC1)CC2 ZINC000067909862 222167984 /nfs/dbraw/zinc/16/79/84/222167984.db2.gz ODWAJPKMYADEDP-UHFFFAOYSA-N 1 1 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379.545 3.080 50 0 GGAAMO CCCc1cnc(C)nc1N1CCC2(CC1)c1[nH]cnc1CC[N@@H+]2CC(C)C ZINC000095518169 535436519 /nfs/dbraw/zinc/43/65/19/535436519.db2.gz QFHGCZDMPOQGCR-UHFFFAOYSA-N 1 1 382.556 3.470 50 0 GGAAMO CCN1CC2(CCN(c3nc(NC)cc[nH+]3)CC2)C[C@@H](c2ccccc2)C1=O ZINC000091585687 535443329 /nfs/dbraw/zinc/44/33/29/535443329.db2.gz UUUYVNIHEDASRG-SFHVURJKSA-N 1 1 379.508 3.141 50 0 GGAAMO CCc1cnc(C)nc1N1CCC([NH+]2CC(Oc3cccc(OC)c3)C2)CC1 ZINC000096131378 536020498 /nfs/dbraw/zinc/02/04/98/536020498.db2.gz WPMQNGZXQYZILW-UHFFFAOYSA-N 1 1 382.508 3.088 50 0 GGAAMO CCn1cc(C[N@H+]2CCCC23CCN(c2cnc4ccccc4n2)CC3)cn1 ZINC000072479511 536052004 /nfs/dbraw/zinc/05/20/04/536052004.db2.gz KHPFCOJWSMNFLI-UHFFFAOYSA-N 1 1 376.508 3.481 50 0 GGAAMO CCc1cc(N[C@H]2CC(C)(C)Cc3nc(N4CCC(O)CC4)ncc32)nc(C)[nH+]1 ZINC000091848921 536153463 /nfs/dbraw/zinc/15/34/63/536153463.db2.gz FOQZCWXQKWZBCM-SFHVURJKSA-N 1 1 396.539 3.224 50 0 GGAAMO O=C(CC[N@H+](CCO)Cc1ccccc1)Nc1ccc(Br)cc1 ZINC000002266156 564186852 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COc1ccc(Br)cc1CN1CC[NH+](Cc2cccn2C)CC1 ZINC000022135415 564313980 /nfs/dbraw/zinc/31/39/80/564313980.db2.gz WSDYWNMPQWOBGT-UHFFFAOYSA-N 1 1 378.314 3.114 50 0 GGAAMO CCOC(=O)[C@@]1(CCOC)CCC[N@H+](Cc2sc(N(C)C)nc2Cl)C1 ZINC000023338074 564323156 /nfs/dbraw/zinc/32/31/56/564323156.db2.gz GONOLHMJTPTVCY-QGZVFWFLSA-N 1 1 389.949 3.044 50 0 GGAAMO CCOC(=O)[C@@]1(CCOC)CCC[N@@H+](Cc2sc(N(C)C)nc2Cl)C1 ZINC000023338074 564323159 /nfs/dbraw/zinc/32/31/59/564323159.db2.gz GONOLHMJTPTVCY-QGZVFWFLSA-N 1 1 389.949 3.044 50 0 GGAAMO C[NH+]1CCN(C2(CNC(=O)c3ccccc3Br)CCCCC2)CC1 ZINC000027741754 564355947 /nfs/dbraw/zinc/35/59/47/564355947.db2.gz ITDRVDNMJXFDLA-UHFFFAOYSA-N 1 1 394.357 3.129 50 0 GGAAMO CCc1nc(C)sc1C[N@H+]1C[C@H]2CC[C@@H](C1)C(=O)N2Cc1cscn1 ZINC000092001765 564874115 /nfs/dbraw/zinc/87/41/15/564874115.db2.gz DNDQJLRLZVYCKP-DZGCQCFKSA-N 1 1 376.551 3.093 50 0 GGAAMO Cc1nc(C(=O)NCCC[NH+]2CCOCC2)c(-c2ccccc2Cl)s1 ZINC000095475908 564899860 /nfs/dbraw/zinc/89/98/60/564899860.db2.gz KXSJUXFOXMULCR-UHFFFAOYSA-N 1 1 379.913 3.224 50 0 GGAAMO CC[N@@H+](Cc1c(C(=O)N2CCCCC2)nc2sccn12)C[C@H]1CCCO1 ZINC000019733021 570211701 /nfs/dbraw/zinc/21/17/01/570211701.db2.gz JXYLMLLYYMFSBE-OAHLLOKOSA-N 1 1 376.526 3.023 50 0 GGAAMO CC[N@H+](Cc1c(C(=O)N2CCCCC2)nc2sccn12)C[C@H]1CCCO1 ZINC000019733021 570211703 /nfs/dbraw/zinc/21/17/03/570211703.db2.gz JXYLMLLYYMFSBE-OAHLLOKOSA-N 1 1 376.526 3.023 50 0 GGAAMO COc1ccc(C(C)=O)cc1NC(=O)N(C)C[C@H]1Cc2ccccc2C[N@@H+]1C ZINC000096131044 570210759 /nfs/dbraw/zinc/21/07/59/570210759.db2.gz NZBUXTHIJMSQBX-LJQANCHMSA-N 1 1 381.476 3.418 50 0 GGAAMO COc1ccc(C(C)=O)cc1NC(=O)N(C)C[C@H]1Cc2ccccc2C[N@H+]1C ZINC000096131044 570210761 /nfs/dbraw/zinc/21/07/61/570210761.db2.gz NZBUXTHIJMSQBX-LJQANCHMSA-N 1 1 381.476 3.418 50 0 GGAAMO COc1ccc(-c2cn3c4ccccc4nc3n2CC[NH+]2CCOCC2)cc1 ZINC000019721075 570211343 /nfs/dbraw/zinc/21/13/43/570211343.db2.gz JRAZNECHDIGTPK-UHFFFAOYSA-N 1 1 376.460 3.297 50 0 biogenic GGAAMO OCC[C@H]1CN(Cc2cccn2-c2ccc(Cl)cn2)CC[N@H+]1C1CCCC1 ZINC000019732651 570211812 /nfs/dbraw/zinc/21/18/12/570211812.db2.gz DUDYKAJLAPNPQZ-FQEVSTJZSA-N 1 1 388.943 3.337 50 0 GGAAMO CCOc1cc(CN2CC[N@@H+](CCc3ccccc3)[C@@H](CCO)C2)ccc1OC ZINC000019758588 570216333 /nfs/dbraw/zinc/21/63/33/570216333.db2.gz XNNWOOLMOFRIHI-QFIPXVFZSA-N 1 1 398.547 3.205 50 0 GGAAMO O=c1cc(C[N@@H+]2CCc3[nH]nc(-c4ccco4)c3C2)c2cccc3c2n1CCC3 ZINC000019789548 570218954 /nfs/dbraw/zinc/21/89/54/570218954.db2.gz MGAUWBVUQPATTN-UHFFFAOYSA-N 1 1 386.455 3.489 50 0 GGAAMO O=c1cc(C[N@H+]2CCc3[nH]nc(-c4ccco4)c3C2)c2cccc3c2n1CCC3 ZINC000019789548 570218956 /nfs/dbraw/zinc/21/89/56/570218956.db2.gz MGAUWBVUQPATTN-UHFFFAOYSA-N 1 1 386.455 3.489 50 0 GGAAMO Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)NCCC[NH+]1CCOCC1 ZINC000019791398 570219305 /nfs/dbraw/zinc/21/93/05/570219305.db2.gz KKANMWCMZAHKEQ-UHFFFAOYSA-N 1 1 398.290 3.409 50 0 GGAAMO CCOC(=O)c1c2c(sc1NC(=S)N1CCC[N@@H+](C)CC1)C[C@@H](C)CC2 ZINC000019797091 570219988 /nfs/dbraw/zinc/21/99/88/570219988.db2.gz CBBQZNNNYLHVMW-ZDUSSCGKSA-N 1 1 395.594 3.384 50 0 GGAAMO OCC[C@@H]1CN(Cc2cccn2-c2ccccn2)CC[N@H+]1Cc1cccs1 ZINC000019794550 570220012 /nfs/dbraw/zinc/22/00/12/570220012.db2.gz IAXLMQHSGGUOHK-GOSISDBHSA-N 1 1 382.533 3.003 50 0 GGAAMO COc1ccccc1N1CCN([C@H]2CCC[N@H+](C3CCSCC3)C2)CC1 ZINC000019798977 570220309 /nfs/dbraw/zinc/22/03/09/570220309.db2.gz JVAHVMOPFZEJFV-IBGZPJMESA-N 1 1 375.582 3.177 50 0 GGAAMO c1ccc(N2CCN([C@@H]3CCC[N@H+](Cc4ccc5nonc5c4)C3)CC2)cc1 ZINC000019798629 570220334 /nfs/dbraw/zinc/22/03/34/570220334.db2.gz DRRUUJGUECSOQE-HXUWFJFHSA-N 1 1 377.492 3.009 50 0 GGAAMO c1ccc(N2CC[NH+]([C@@H]3CCCN(Cc4ccc5nonc5c4)C3)CC2)cc1 ZINC000019798629 570220335 /nfs/dbraw/zinc/22/03/35/570220335.db2.gz DRRUUJGUECSOQE-HXUWFJFHSA-N 1 1 377.492 3.009 50 0 GGAAMO O=C1C[C@@H]([NH+]2CCC(c3nc4ccccc4[nH]3)CC2)C(=O)N1c1ccc(F)cc1 ZINC000019809346 570221242 /nfs/dbraw/zinc/22/12/42/570221242.db2.gz YMXGUSHYKPUVQO-LJQANCHMSA-N 1 1 392.434 3.214 50 0 GGAAMO O[C@H](COCc1ccc(Cl)cc1)C[NH+]1CCN(c2ccccc2F)CC1 ZINC000019809634 570221321 /nfs/dbraw/zinc/22/13/21/570221321.db2.gz ROCPNZLCVYDPDI-SFHVURJKSA-N 1 1 378.875 3.179 50 0 GGAAMO CC(C)c1ccc(NC(=O)C[C@@H](C)CC(=O)NCCC[NH+]2CCOCC2)cc1 ZINC000019822906 570222783 /nfs/dbraw/zinc/22/27/83/570222783.db2.gz AIGJNWUCUGXQSX-SFHVURJKSA-N 1 1 389.540 3.003 50 0 GGAAMO OCC[C@@H]1CN(Cc2cccn2-c2ccccn2)CC[N@@H+]1Cc1ccsc1 ZINC000019840405 570224612 /nfs/dbraw/zinc/22/46/12/570224612.db2.gz PZKWQJHGPRQLOT-LJQANCHMSA-N 1 1 382.533 3.003 50 0 GGAAMO OCC[C@@H]1CN(Cc2cccn2-c2ccccn2)CC[N@H+]1Cc1ccsc1 ZINC000019840405 570224617 /nfs/dbraw/zinc/22/46/17/570224617.db2.gz PZKWQJHGPRQLOT-LJQANCHMSA-N 1 1 382.533 3.003 50 0 GGAAMO CN1C(=O)[C@H]2[C@@H]3c4ccccc4C=C[N@@H+]3[C@@H](C(=O)c3ccc(Cl)cc3)[C@H]2C1=O ZINC000019853359 570225543 /nfs/dbraw/zinc/22/55/43/570225543.db2.gz CFNRMTORAZLREV-YDZRNGNQSA-N 1 1 392.842 3.164 50 0 GGAAMO CN1C(=O)[C@H]2[C@@H]3c4ccccc4C=C[N@H+]3[C@@H](C(=O)c3ccc(Cl)cc3)[C@H]2C1=O ZINC000019853359 570225546 /nfs/dbraw/zinc/22/55/46/570225546.db2.gz CFNRMTORAZLREV-YDZRNGNQSA-N 1 1 392.842 3.164 50 0 GGAAMO CN(C)C(=O)CCCC(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000019878033 570227045 /nfs/dbraw/zinc/22/70/45/570227045.db2.gz AEYLYHGBGXDFNF-UHFFFAOYSA-N 1 1 393.531 3.179 50 0 GGAAMO O=C(c1cccc(F)c1)N1CCC(N2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000019877260 570227081 /nfs/dbraw/zinc/22/70/81/570227081.db2.gz BEHNFMRJLZTPKB-UHFFFAOYSA-N 1 1 381.495 3.248 50 0 GGAAMO CC(=O)Nc1sc2c(c1[C@H](c1cccnc1)N1CC[NH+](C)CC1)CCCC2 ZINC000019880767 570227086 /nfs/dbraw/zinc/22/70/86/570227086.db2.gz AWGSLCWINCQBHD-FQEVSTJZSA-N 1 1 384.549 3.317 50 0 GGAAMO COc1ccc(-c2cn3c4ccccc4nc3n2CCN2CC[NH+](C)CC2)cc1 ZINC000019879858 570227090 /nfs/dbraw/zinc/22/70/90/570227090.db2.gz XSGNTNVJFZVUKV-UHFFFAOYSA-N 1 1 389.503 3.212 50 0 GGAAMO Cc1c(C)c(C)c(S(=O)(=O)NCCC[NH+]2C[C@H](C)O[C@@H](C)C2)c(C)c1C ZINC000019924766 570229684 /nfs/dbraw/zinc/22/96/84/570229684.db2.gz CPPPBHLGDPMPDS-KBPBESRZSA-N 1 1 382.570 3.006 50 0 GGAAMO CC[C@@H]1CN(C(=O)c2ccc(NCCc3cccc(C)n3)nc2)CC[N@H+]1C(C)C ZINC000096836387 570232212 /nfs/dbraw/zinc/23/22/12/570232212.db2.gz BVJRFDKYCDMPMX-OAQYLSRUSA-N 1 1 395.551 3.384 50 0 GGAAMO FC(F)(F)c1cccc(N2CCN([C@@H]3CCC[N@H+](C4CCOCC4)C3)CC2)c1 ZINC000019939550 570232738 /nfs/dbraw/zinc/23/27/38/570232738.db2.gz FWANRMCHZIGYIW-HXUWFJFHSA-N 1 1 397.485 3.471 50 0 GGAAMO FC(F)(F)c1cccc(N2CCN([C@H]3CCC[N@H+](C4CCOCC4)C3)CC2)c1 ZINC000019939552 570232952 /nfs/dbraw/zinc/23/29/52/570232952.db2.gz FWANRMCHZIGYIW-FQEVSTJZSA-N 1 1 397.485 3.471 50 0 GGAAMO CC(=O)c1cccc(NC(=O)[C@@H](Sc2nc(N)cc(N)[nH+]2)c2ccccc2)c1 ZINC000019957143 570233143 /nfs/dbraw/zinc/23/31/43/570233143.db2.gz GXSHXGKGFQEZME-SFHVURJKSA-N 1 1 393.472 3.316 50 0 GGAAMO Fc1ccccc1N1CCN([C@@H]2CCC[N@H+](C3CSCCSC3)C2)CC1 ZINC000020109524 570240149 /nfs/dbraw/zinc/24/01/49/570240149.db2.gz XTJWENQAHNVXAQ-QGZVFWFLSA-N 1 1 395.613 3.261 50 0 GGAAMO Cc1ncsc1CN(Cc1ccccc1)C(=O)C[C@H]1C[N@@H+](C(C)C)CCO1 ZINC000097288718 570240416 /nfs/dbraw/zinc/24/04/16/570240416.db2.gz AHLNMJSLKNXJCC-IBGZPJMESA-N 1 1 387.549 3.480 50 0 GGAAMO Cc1ncsc1CN(Cc1ccccc1)C(=O)C[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC000097288717 570240494 /nfs/dbraw/zinc/24/04/94/570240494.db2.gz AHLNMJSLKNXJCC-LJQANCHMSA-N 1 1 387.549 3.480 50 0 GGAAMO OCC[C@H]1CN(Cc2c[nH]nc2-c2ccccc2)CC[N@H+]1CCc1ccccc1 ZINC000020138288 570241911 /nfs/dbraw/zinc/24/19/11/570241911.db2.gz OOFBCAXWPYCHTR-QHCPKHFHSA-N 1 1 390.531 3.188 50 0 GGAAMO Cc1cc(C)c(NC(=O)N2CCC[C@@H](CN3CC[NH+](C)CC3)C2)c(Cl)c1 ZINC000097394496 570242838 /nfs/dbraw/zinc/24/28/38/570242838.db2.gz PWYXAEYQDXJRFR-KRWDZBQOSA-N 1 1 378.948 3.448 50 0 GGAAMO O=C(NC1CC[NH+](Cc2cc(F)cc(F)c2)CC1)c1cc(C(F)(F)F)n[nH]1 ZINC000097437032 570243913 /nfs/dbraw/zinc/24/39/13/570243913.db2.gz HGBSKSGZNIWUCO-UHFFFAOYSA-N 1 1 388.340 3.101 50 0 GGAAMO OCC[C@H]1CN(Cc2ccc3ncccc3c2)CC[N@H+]1CCc1ccccc1 ZINC000020166350 570245520 /nfs/dbraw/zinc/24/55/20/570245520.db2.gz QUBSMJIQRVJNPZ-QHCPKHFHSA-N 1 1 375.516 3.346 50 0 GGAAMO OCC[C@H]1C[N@H+](Cc2ccc3ncccc3c2)CCN1CCc1ccccc1 ZINC000020166350 570245523 /nfs/dbraw/zinc/24/55/23/570245523.db2.gz QUBSMJIQRVJNPZ-QHCPKHFHSA-N 1 1 375.516 3.346 50 0 GGAAMO OCC[C@H]1C[N@@H+](Cc2ccc3ncccc3c2)CCN1CCc1ccccc1 ZINC000020166350 570245526 /nfs/dbraw/zinc/24/55/26/570245526.db2.gz QUBSMJIQRVJNPZ-QHCPKHFHSA-N 1 1 375.516 3.346 50 0 GGAAMO CC(C)N1CCC([N@@H+]2CCC[C@H](C(=O)NCc3cccc4[nH]ccc43)C2)CC1 ZINC000020202653 570247522 /nfs/dbraw/zinc/24/75/22/570247522.db2.gz KBJBNRSDGRQODF-IBGZPJMESA-N 1 1 382.552 3.369 50 0 GGAAMO CC(C)N1CCC([N@H+]2CCC[C@H](C(=O)NCc3cccc4[nH]ccc43)C2)CC1 ZINC000020202653 570247526 /nfs/dbraw/zinc/24/75/26/570247526.db2.gz KBJBNRSDGRQODF-IBGZPJMESA-N 1 1 382.552 3.369 50 0 GGAAMO COc1ccc(CC[N@H+](C)Cc2nc(Cc3cccc(F)c3)no2)cc1OC ZINC000020204982 570247552 /nfs/dbraw/zinc/24/75/52/570247552.db2.gz BFBGADGWCQPCQR-UHFFFAOYSA-N 1 1 385.439 3.491 50 0 GGAAMO COc1ccc(CC[N@@H+](C)Cc2nc(Cc3cccc(F)c3)no2)cc1OC ZINC000020204982 570247553 /nfs/dbraw/zinc/24/75/53/570247553.db2.gz BFBGADGWCQPCQR-UHFFFAOYSA-N 1 1 385.439 3.491 50 0 GGAAMO CC(=O)Nc1cc(NC(=O)NCC[N@H+]2CC[C@H](c3ccccc3)C2)ccc1F ZINC000097635087 570248101 /nfs/dbraw/zinc/24/81/01/570248101.db2.gz KUPDIHPJQCJUHZ-KRWDZBQOSA-N 1 1 384.455 3.395 50 0 GGAAMO C[N@H+](Cc1c(C(=O)N2CCCCCCC2)nc2sccn12)[C@@H]1CCOC1 ZINC000020205744 570248194 /nfs/dbraw/zinc/24/81/94/570248194.db2.gz YAIRABALAMKRHI-OAHLLOKOSA-N 1 1 376.526 3.023 50 0 GGAAMO C[N@@H+](Cc1c(C(=O)N2CCCCCCC2)nc2sccn12)[C@@H]1CCOC1 ZINC000020205744 570248195 /nfs/dbraw/zinc/24/81/95/570248195.db2.gz YAIRABALAMKRHI-OAHLLOKOSA-N 1 1 376.526 3.023 50 0 GGAAMO OCC[C@@H]1CN(Cc2cc3c(cc2Cl)OCO3)CC[N@H+]1C1CCCCC1 ZINC000020236237 570249419 /nfs/dbraw/zinc/24/94/19/570249419.db2.gz VVXVXPPXCQDTJB-QGZVFWFLSA-N 1 1 380.916 3.270 50 0 GGAAMO COc1cccc(C[N@H+]2CCC[C@@H](N3CCN(c4ccccc4OC)CC3)C2)c1 ZINC000020233080 570249453 /nfs/dbraw/zinc/24/94/53/570249453.db2.gz MIPDTBLYRUMMQK-OAQYLSRUSA-N 1 1 395.547 3.490 50 0 GGAAMO COc1cccc(CN2CCC[C@@H]([NH+]3CCN(c4ccccc4OC)CC3)C2)c1 ZINC000020233080 570249456 /nfs/dbraw/zinc/24/94/56/570249456.db2.gz MIPDTBLYRUMMQK-OAQYLSRUSA-N 1 1 395.547 3.490 50 0 GGAAMO CCc1ccc2nc(-c3cncnc3)cc(C(=O)N3CC[NH+](CC)CC3)c2c1 ZINC000020256540 570250111 /nfs/dbraw/zinc/25/01/11/570250111.db2.gz LZAZLJPDLZBUPL-UHFFFAOYSA-N 1 1 375.476 3.032 50 0 GGAAMO O=C(CC[NH+]1CCOCC1)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccco1 ZINC000020266567 570250612 /nfs/dbraw/zinc/25/06/12/570250612.db2.gz MPFHPMFRDMGVJD-SFHVURJKSA-N 1 1 387.867 3.333 50 0 GGAAMO CC(C)Cc1cc(CN2CC[N@@H+](CCCc3ccccc3)[C@@H](CCO)C2)[nH]n1 ZINC000020294700 570251758 /nfs/dbraw/zinc/25/17/58/570251758.db2.gz SEVAYINDHVRXBE-QHCPKHFHSA-N 1 1 384.568 3.110 50 0 GGAAMO CC(C)Cc1cc(CN2CC[N@H+](CCCc3ccccc3)[C@@H](CCO)C2)n[nH]1 ZINC000020294700 570251762 /nfs/dbraw/zinc/25/17/62/570251762.db2.gz SEVAYINDHVRXBE-QHCPKHFHSA-N 1 1 384.568 3.110 50 0 GGAAMO CC(C)Cc1cc(CN2CC[N@@H+](CCCc3ccccc3)[C@@H](CCO)C2)n[nH]1 ZINC000020294700 570251764 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OCC[C@H]1C[N@@H+](Cc2cccc3cnccc32)CCN1Cc1ccccc1F ZINC000022851260 570330943 /nfs/dbraw/zinc/33/09/43/570330943.db2.gz DDBWWHGSQPRSAI-NRFANRHFSA-N 1 1 379.479 3.443 50 0 GGAAMO CC(C)CC[N@H+]1CCN(Cc2cccn2-c2ccc(Cl)cn2)C[C@@H]1CCO ZINC000022913632 570334057 /nfs/dbraw/zinc/33/40/57/570334057.db2.gz AIHWBIUCQSYWNC-IBGZPJMESA-N 1 1 390.959 3.440 50 0 GGAAMO CCOc1ccccc1C[N@@H+]1CCN(Cc2cc(C(C)C)n[nH]2)C[C@@H]1CCO ZINC000022913535 570334281 /nfs/dbraw/zinc/33/42/81/570334281.db2.gz BKYDPZPAYOPZOW-FQEVSTJZSA-N 1 1 386.540 3.001 50 0 GGAAMO CCOc1ccccc1C[N@H+]1CCN(Cc2cc(C(C)C)n[nH]2)C[C@@H]1CCO ZINC000022913535 570334282 /nfs/dbraw/zinc/33/42/82/570334282.db2.gz BKYDPZPAYOPZOW-FQEVSTJZSA-N 1 1 386.540 3.001 50 0 GGAAMO COC(=O)c1ccc(C[N@H+]2CCC[C@@H](N3CCN(c4ccccc4)CC3)C2)cc1 ZINC000022914473 570334778 /nfs/dbraw/zinc/33/47/78/570334778.db2.gz QPXLVBXDQLNQKL-HSZRJFAPSA-N 1 1 393.531 3.260 50 0 GGAAMO COC(=O)c1ccc(CN2CCC[C@@H]([NH+]3CCN(c4ccccc4)CC3)C2)cc1 ZINC000022914473 570334782 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GGAAMO C[N@@H+](Cc1ccco1)Cc1cccc(-c2nc(CCn3cccn3)cc(=O)[nH]2)c1 ZINC000023312267 570354572 /nfs/dbraw/zinc/35/45/72/570354572.db2.gz IFAPILZFEBEPOI-UHFFFAOYSA-N 1 1 389.459 3.101 50 0 GGAAMO CCOC(=O)N1CCN([C@@H]2CCC[N@H+](Cc3ccc(Cl)c(F)c3)C2)CC1 ZINC000023360979 570356721 /nfs/dbraw/zinc/35/67/21/570356721.db2.gz URVFIUJRNQOFIG-MRXNPFEDSA-N 1 1 383.895 3.218 50 0 GGAAMO CCOC(=O)N1CCN([C@@H]2CCC[N@@H+](Cc3ccc(Cl)c(F)c3)C2)CC1 ZINC000023360979 570356723 /nfs/dbraw/zinc/35/67/23/570356723.db2.gz URVFIUJRNQOFIG-MRXNPFEDSA-N 1 1 383.895 3.218 50 0 GGAAMO CCOC(=O)N1CC[NH+]([C@@H]2CCCN(Cc3ccc(Cl)c(F)c3)C2)CC1 ZINC000023360979 570356724 /nfs/dbraw/zinc/35/67/24/570356724.db2.gz URVFIUJRNQOFIG-MRXNPFEDSA-N 1 1 383.895 3.218 50 0 GGAAMO COc1ccc(CN2CC[N@@H+](Cc3ccccc3C)[C@@H](CCO)C2)cc1OC ZINC000023373587 570357618 /nfs/dbraw/zinc/35/76/18/570357618.db2.gz VHCXWULZPZTRCO-NRFANRHFSA-N 1 1 384.520 3.081 50 0 GGAAMO OCCOc1ccc(CNCC2([NH+]3CCCCC3)Cc3ccccc3C2)cc1 ZINC000023375134 570358207 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GGAAMO Cc1cc(F)ccc1S(=O)(=O)NC[C@@H](c1cc2ccccc2o1)[NH+](C)C ZINC000575621754 570370507 /nfs/dbraw/zinc/37/05/07/570370507.db2.gz SWQRWRLJSJSWHL-INIZCTEOSA-N 1 1 376.453 3.462 50 0 GGAAMO COc1ccc(N2C(=O)C[C@@H]([NH+]3CCC(Cc4ccccc4)CC3)C2=O)cc1 ZINC000004380340 570372133 /nfs/dbraw/zinc/37/21/33/570372133.db2.gz CHJFHCITPXFBHJ-OAQYLSRUSA-N 1 1 378.472 3.282 50 0 GGAAMO CCc1ccc(NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H]2Cc3ccccc3C[NH2+]2)cc1 ZINC000035485488 570374882 /nfs/dbraw/zinc/37/48/82/570374882.db2.gz VKNGIVWIQDYXLU-FCHUYYIVSA-N 1 1 393.531 3.433 50 0 GGAAMO CC(C)c1ccc(C[NH+]2CCN(CC(=O)Nc3cccc4nonc43)CC2)cc1 ZINC000022752374 570377955 /nfs/dbraw/zinc/37/79/55/570377955.db2.gz XWMRSHRIJPKXTI-UHFFFAOYSA-N 1 1 393.491 3.103 50 0 GGAAMO COc1ccccc1C[NH+]1CCC(N2CCN(c3ccccc3OC)CC2)CC1 ZINC000004703448 570395308 /nfs/dbraw/zinc/39/53/08/570395308.db2.gz JCGOGTNWZOGNLW-UHFFFAOYSA-N 1 1 395.547 3.490 50 0 GGAAMO O=C(CN1CCCCC1)Nc1ccc(NC(=O)C[NH+]2CCCCC2)cc1Cl ZINC000004724399 570397824 /nfs/dbraw/zinc/39/78/24/570397824.db2.gz PDPUOFINGQMZFJ-UHFFFAOYSA-N 1 1 392.931 3.189 50 0 GGAAMO CSc1cccc(NC(=O)NCCNc2cc(-n3ccnc3C)nc(C)[nH+]2)c1 ZINC000035598147 570400721 /nfs/dbraw/zinc/40/07/21/570400721.db2.gz MVOSTKKNRMVUNA-UHFFFAOYSA-N 1 1 397.508 3.235 50 0 GGAAMO O=C1C[C@H]([NH2+]Cc2ccc3c(c2)OCO3)C(=O)N1c1ccc(Cl)c(Cl)c1 ZINC000004837840 570410106 /nfs/dbraw/zinc/41/01/06/570410106.db2.gz VBCKSZVANNMKKO-AWEZNQCLSA-N 1 1 393.226 3.144 50 0 GGAAMO CN(Cc1cnc2ccccc2c1)C(=O)[C@@H](c1ccc2c(c1)OCO2)[NH+](C)C ZINC000222660469 570419400 /nfs/dbraw/zinc/41/94/00/570419400.db2.gz MCTXZCICESXWBU-OAQYLSRUSA-N 1 1 377.444 3.225 50 0 GGAAMO COCCN(C[C@@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)Cn1ccc2ccccc21 ZINC000524729167 570420358 /nfs/dbraw/zinc/42/03/58/570420358.db2.gz GUYLXCWVQZMZEJ-RBBKRZOGSA-N 1 1 383.536 3.381 50 0 biogenic GGAAMO O=C(C[C@@H]1[NH2+][C@@H]2CCCC[C@H]2NC1=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000239248172 570428814 /nfs/dbraw/zinc/42/88/14/570428814.db2.gz YGGKPFOFVPQMIO-MCIONIFRSA-N 1 1 389.805 3.087 50 0 GGAAMO CCOC(=O)c1c(C)n(C)c2ccc(OC[C@H](O)C[N@H+]3CCCC[C@H]3C)cc21 ZINC000245238022 570434534 /nfs/dbraw/zinc/43/45/34/570434534.db2.gz CWLFZNJWZKXXNH-NVXWUHKLSA-N 1 1 388.508 3.278 50 0 GGAAMO CCc1ccc(O[C@H](C)C(=O)NCC2(N3CC[NH+](C)CC3)CCCCC2)cc1 ZINC000027741702 570441094 /nfs/dbraw/zinc/44/10/94/570441094.db2.gz NQRNGJZGJODUMA-LJQANCHMSA-N 1 1 387.568 3.083 50 0 GGAAMO Cc1cc(C)cc(O[C@H](C)C(=O)NCC2(N3CC[NH+](C)CC3)CCCCC2)c1 ZINC000027741603 570441317 /nfs/dbraw/zinc/44/13/17/570441317.db2.gz RHKHXJZPZOHDMB-HXUWFJFHSA-N 1 1 387.568 3.137 50 0 GGAAMO C[C@H](Oc1ccccc1Cl)C(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000027994245 570449217 /nfs/dbraw/zinc/44/92/17/570449217.db2.gz MRSXTYVLBKFCDT-INIZCTEOSA-N 1 1 380.916 3.259 50 0 GGAAMO COc1ccc([C@@H](CNC(=O)c2cc(=O)c3cc(C)cc(C)c3o2)[NH+](C)C)cc1 ZINC000028288300 570454598 /nfs/dbraw/zinc/45/45/98/570454598.db2.gz GKGNDSWTSXPGBA-LJQANCHMSA-N 1 1 394.471 3.451 50 0 GGAAMO COc1ccc([C@H](CNC(=O)c2cc(=O)c3cc(C)c(C)cc3o2)[NH+](C)C)cc1 ZINC000028289539 570455449 /nfs/dbraw/zinc/45/54/49/570455449.db2.gz STSAJMJTIGMDSH-IBGZPJMESA-N 1 1 394.471 3.451 50 0 GGAAMO CC[NH+]1CCN(C2(CNC(=O)[C@H](C)Oc3ccccc3F)CCCCC2)CC1 ZINC000028403408 570459130 /nfs/dbraw/zinc/45/91/30/570459130.db2.gz HDQZZVMAPHRNII-SFHVURJKSA-N 1 1 391.531 3.050 50 0 GGAAMO Cc1ccc2[nH]c([C@@H]3CCC[N@@H+](Cc4cc(=O)n5ccsc5n4)C3)nc2c1 ZINC000130795213 570464557 /nfs/dbraw/zinc/46/45/57/570464557.db2.gz KHQITEPSOGELDR-CQSZACIVSA-N 1 1 379.489 3.320 50 0 GGAAMO Cc1ccc2nc([C@@H]3CCC[N@H+](Cc4cc(=O)n5ccsc5n4)C3)[nH]c2c1 ZINC000130795213 570464560 /nfs/dbraw/zinc/46/45/60/570464560.db2.gz KHQITEPSOGELDR-CQSZACIVSA-N 1 1 379.489 3.320 50 0 GGAAMO Cc1ccc2nc([C@@H]3CCC[N@@H+](Cc4cc(=O)n5ccsc5n4)C3)[nH]c2c1 ZINC000130795213 570464563 /nfs/dbraw/zinc/46/45/63/570464563.db2.gz KHQITEPSOGELDR-CQSZACIVSA-N 1 1 379.489 3.320 50 0 GGAAMO CC(C)c1ccc(NC(=O)[C@@H]2CCCN2C(=O)[C@H]2Cc3ccccc3C[NH2+]2)cc1 ZINC000035855947 570465296 /nfs/dbraw/zinc/46/52/96/570465296.db2.gz NCESDYLKAONMPK-YADHBBJMSA-N 1 1 391.515 3.454 50 0 GGAAMO CC[NH+]1CCN(C(=O)CCC2CCN(C(=O)CC3=CCCCC3)CC2)CC1 ZINC000014963638 570469330 /nfs/dbraw/zinc/46/93/30/570469330.db2.gz QYZLDCIVGMLNFO-UHFFFAOYSA-N 1 1 375.557 3.060 50 0 GGAAMO CCOC(=O)[C@]12CCN(C(=O)OC(C)(C)C)[C@@H]1C[N@@H+](Cc1ccccc1)CC2 ZINC000380913465 570491304 /nfs/dbraw/zinc/49/13/04/570491304.db2.gz ORNJAGQPVINUCJ-XMSQKQJNSA-N 1 1 388.508 3.451 50 0 GGAAMO CC[N@@H+]1CCc2c(sc(NC(=O)CSc3ccc(F)cc3)c2C(N)=O)C1 ZINC000005192421 570499335 /nfs/dbraw/zinc/49/93/35/570499335.db2.gz WUCMOQPQIJVAMT-UHFFFAOYSA-N 1 1 393.509 3.095 50 0 GGAAMO CC[N@H+]1CCc2c(sc(NC(=O)CSc3ccc(F)cc3)c2C(N)=O)C1 ZINC000005192421 570499338 /nfs/dbraw/zinc/49/93/38/570499338.db2.gz WUCMOQPQIJVAMT-UHFFFAOYSA-N 1 1 393.509 3.095 50 0 GGAAMO C[C@@H]1Cc2ccccc2N1C(=O)NCc1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000079169387 570510631 /nfs/dbraw/zinc/51/06/31/570510631.db2.gz OGBBTISOBNPJSF-GOSISDBHSA-N 1 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3.197 50 0 GGAAMO CN(C)c1ccc(C(=O)Nc2ccc3nc(N4CC[NH+](C)CC4)sc3c2)cc1 ZINC000023135847 570916047 /nfs/dbraw/zinc/91/60/47/570916047.db2.gz XIVAEMMTEZNAOL-UHFFFAOYSA-N 1 1 395.532 3.366 50 0 GGAAMO C[NH+]1CCN(c2nc3ccc(NC(=O)Cc4ccc(F)cc4)cc3s2)CC1 ZINC000023135856 570916124 /nfs/dbraw/zinc/91/61/24/570916124.db2.gz LZWUUMKOBJFRFZ-UHFFFAOYSA-N 1 1 384.480 3.368 50 0 GGAAMO CO[C@]12CC[N@@H+](CC3=CCCCC3)[C@H]1C[C@H](NC(=O)c1cscn1)CC2 ZINC000534647219 570916732 /nfs/dbraw/zinc/91/67/32/570916732.db2.gz OJNAAHZPNUEPGW-IMFGXOCKSA-N 1 1 375.538 3.385 50 0 GGAAMO COc1ccccc1N1CCN([C@@H]2CCC[N@@H+](Cc3cccc(C)n3)C2)CC1 ZINC000019217708 570962295 /nfs/dbraw/zinc/96/22/95/570962295.db2.gz LDNJGZQYQAWEDA-OAQYLSRUSA-N 1 1 380.536 3.185 50 0 GGAAMO COc1ccccc1N1CC[NH+]([C@@H]2CCCN(Cc3cccc(C)n3)C2)CC1 ZINC000019217708 570962298 /nfs/dbraw/zinc/96/22/98/570962298.db2.gz LDNJGZQYQAWEDA-OAQYLSRUSA-N 1 1 380.536 3.185 50 0 GGAAMO COc1ccc(CN2CC[N@@H+](CCCc3ccccc3)[C@@H](CCO)C2)c(OC)c1 ZINC000019223678 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3.495 50 0 GGAAMO Cc1oc(-c2cccs2)nc1CN1CCC2(CC1)c1[nH]cnc1CC[N@@H+]2C ZINC000091390690 571005876 /nfs/dbraw/zinc/00/58/76/571005876.db2.gz ICHMZYMQSPYISV-UHFFFAOYSA-N 1 1 383.521 3.414 50 0 GGAAMO COCC[N@H+](C)CC(=O)N[C@@H](C)c1cnn(-c2cccc3ccccc32)c1C ZINC000091391413 571006138 /nfs/dbraw/zinc/00/61/38/571006138.db2.gz VNYJIWKHAZFLCS-INIZCTEOSA-N 1 1 380.492 3.089 50 0 GGAAMO COCC[N@@H+](C)CC(=O)N[C@@H](C)c1cnn(-c2cccc3ccccc32)c1C ZINC000091391413 571006140 /nfs/dbraw/zinc/00/61/40/571006140.db2.gz VNYJIWKHAZFLCS-INIZCTEOSA-N 1 1 380.492 3.089 50 0 GGAAMO CC[N@H+]1C[C@H](c2ccccc2)CC2(CCN(C(=O)c3ccc(N)nc3)CC2)C1 ZINC000091425869 571006965 /nfs/dbraw/zinc/00/69/65/571006965.db2.gz WGAPFOJLBHCLJY-HXUWFJFHSA-N 1 1 378.520 3.396 50 0 GGAAMO CCc1[nH+]ccn1CCC(=O)N[C@H](C)c1cnn(-c2ccc(F)cc2F)c1C ZINC000091441409 571008135 /nfs/dbraw/zinc/00/81/35/571008135.db2.gz HIGHJDKBWSUHNI-CYBMUJFWSA-N 1 1 387.434 3.485 50 0 GGAAMO COCCN1CCC[C@]2(CC[N@@H+](Cc3cc(C4CCCCC4)no3)C2)C1=O ZINC000091444941 571008477 /nfs/dbraw/zinc/00/84/77/571008477.db2.gz QBFRKGSOPKZKFC-OAQYLSRUSA-N 1 1 375.513 3.183 50 0 GGAAMO CN1CC[NH+](CCCN2CC(c3ccccc3)(c3ccccc3)CCC2=O)CC1 ZINC000091445031 571008580 /nfs/dbraw/zinc/00/85/80/571008580.db2.gz WASAJLADJAAXCE-UHFFFAOYSA-N 1 1 391.559 3.233 50 0 GGAAMO Cc1c(C[N@H+]2C[C@H]3CC[C@@H]2CN(C(=O)c2cnccn2)C3)[nH]c2ccc(C)cc12 ZINC000091444933 571008676 /nfs/dbraw/zinc/00/86/76/571008676.db2.gz RNTNDVVJLOYMDO-QZTJIDSGSA-N 1 1 389.503 3.311 50 0 GGAAMO O=C1CC[C@@]2(CCC[N@@H+](CCCc3cccnc3)C2)CN1Cc1ccccn1 ZINC000091468328 571009875 /nfs/dbraw/zinc/00/98/75/571009875.db2.gz INGFLHVAGPLHOY-HSZRJFAPSA-N 1 1 378.520 3.314 50 0 GGAAMO O=C(C1CCC1)N1CCc2nc[nH]c2C12CC[NH+](CCc1ccccc1)CC2 ZINC000091493103 571011094 /nfs/dbraw/zinc/01/10/94/571011094.db2.gz LDYYEEQJGRNAMY-UHFFFAOYSA-N 1 1 378.520 3.128 50 0 GGAAMO CSc1cccc(C[N@@H+]2CCCn3nc(CNC(=O)C4CCC4)cc3C2)c1 ZINC000091526128 571012091 /nfs/dbraw/zinc/01/20/91/571012091.db2.gz LDYUDYDLSKODTM-UHFFFAOYSA-N 1 1 384.549 3.427 50 0 GGAAMO CSc1cccc(C[N@H+]2CCCn3nc(CNC(=O)C4CCC4)cc3C2)c1 ZINC000091526128 571012096 /nfs/dbraw/zinc/01/20/96/571012096.db2.gz LDYUDYDLSKODTM-UHFFFAOYSA-N 1 1 384.549 3.427 50 0 GGAAMO Cc1nn2c(nc3c(c2NCCC[NH+]2CCOCC2)CCC3)c1-c1ccccc1 ZINC000019582109 571013520 /nfs/dbraw/zinc/01/35/20/571013520.db2.gz VIEJJSTYWIRWOQ-UHFFFAOYSA-N 1 1 391.519 3.328 50 0 GGAAMO Cc1cnc(CN2C[C@]3(CCC[N@H+](C4Cc5ccccc5C4)C3)CCC2=O)cn1 ZINC000091562940 571014497 /nfs/dbraw/zinc/01/44/97/571014497.db2.gz ZNMGEBRLTJAWRL-XMMPIXPASA-N 1 1 390.531 3.157 50 0 GGAAMO Cn1cc(Cl)c(C(=O)N2C[C@H]3CC[C@@H]2C[N@@H+](CCCc2ccccc2)C3)n1 ZINC000091563109 571014856 /nfs/dbraw/zinc/01/48/56/571014856.db2.gz ZXVLVFYENPJLKS-ZWKOTPCHSA-N 1 1 386.927 3.243 50 0 GGAAMO CSc1ccccc1C[N@@H+]1CCCn2nc(CNC(=O)C3CCC3)cc2C1 ZINC000091574744 571015034 /nfs/dbraw/zinc/01/50/34/571015034.db2.gz BTMWBNJZTJPSMY-UHFFFAOYSA-N 1 1 384.549 3.427 50 0 GGAAMO CSc1ccccc1C[N@H+]1CCCn2nc(CNC(=O)C3CCC3)cc2C1 ZINC000091574744 571015036 /nfs/dbraw/zinc/01/50/36/571015036.db2.gz BTMWBNJZTJPSMY-UHFFFAOYSA-N 1 1 384.549 3.427 50 0 GGAAMO Cc1ccc(C[NH+]2CCC3(CC2)c2[nH]cnc2CCN3C(=O)C2CCC2)cc1 ZINC000091602340 571016974 /nfs/dbraw/zinc/01/69/74/571016974.db2.gz FIDCWIVPHBXOED-UHFFFAOYSA-N 1 1 378.520 3.394 50 0 GGAAMO O=C1CC2(CN1Cc1cc(F)cc(F)c1)CC[NH+](Cc1nccs1)CC2 ZINC000091617012 571018572 /nfs/dbraw/zinc/01/85/72/571018572.db2.gz ASLUORBEJMLTSG-UHFFFAOYSA-N 1 1 377.460 3.436 50 0 GGAAMO Cn1ncc(Cl)c1C(=O)N1C[C@H]2CC[C@@H]1C[N@@H+](CCCc1ccccc1)C2 ZINC000091626115 571020228 /nfs/dbraw/zinc/02/02/28/571020228.db2.gz AUROJSWGENSCGK-ZWKOTPCHSA-N 1 1 386.927 3.243 50 0 GGAAMO CN1CCN([C@H]2CC[N@H+](Cc3cc4ccccc4s3)C[C@H]2CCCO)CC1 ZINC000091643883 571020782 /nfs/dbraw/zinc/02/07/82/571020782.db2.gz OJKFKRFUHZYLDF-CTNGQTDRSA-N 1 1 387.593 3.112 50 0 GGAAMO CN1CCN([C@H]2CC[N@@H+](Cc3cc4ccccc4s3)C[C@H]2CCCO)CC1 ZINC000091643883 571020784 /nfs/dbraw/zinc/02/07/84/571020784.db2.gz OJKFKRFUHZYLDF-CTNGQTDRSA-N 1 1 387.593 3.112 50 0 GGAAMO CN(c1ccc(-c2nc(CCCc3ccccc3)no2)cn1)[C@@H]1CC[N@@H+](C)C1 ZINC000019595385 571020928 /nfs/dbraw/zinc/02/09/28/571020928.db2.gz SXBKBIFLBKRQCF-LJQANCHMSA-N 1 1 377.492 3.447 50 0 GGAAMO CN(c1ccc(-c2nc(CCCc3ccccc3)no2)cn1)[C@H]1CC[N@@H+](C)C1 ZINC000019595386 571021140 /nfs/dbraw/zinc/02/11/40/571021140.db2.gz SXBKBIFLBKRQCF-IBGZPJMESA-N 1 1 377.492 3.447 50 0 GGAAMO CCN1C[C@H](CC[NH+]2CCOCC2)C(c2ccccc2)(c2ccccc2)C1=O ZINC000019632670 571022222 /nfs/dbraw/zinc/02/22/22/571022222.db2.gz XFDJYSQDBULQSI-QFIPXVFZSA-N 1 1 378.516 3.173 50 0 fda GGAAMO OCC[C@@H]1C[N@@H+](Cc2cccc(-n3cccn3)c2)CCN1Cc1ccsc1 ZINC000019641353 571022875 /nfs/dbraw/zinc/02/28/75/571022875.db2.gz SFMCGLYURHAMJB-OAQYLSRUSA-N 1 1 382.533 3.003 50 0 GGAAMO OCC[C@@H]1CN(Cc2cccc(-n3cccn3)c2)CC[N@@H+]1Cc1ccsc1 ZINC000019641353 571022877 /nfs/dbraw/zinc/02/28/77/571022877.db2.gz SFMCGLYURHAMJB-OAQYLSRUSA-N 1 1 382.533 3.003 50 0 GGAAMO OCC[C@@H]1CN(Cc2cccc(-n3cccn3)c2)CC[N@H+]1Cc1ccsc1 ZINC000019641353 571022878 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CCOc1ccc(CN2CCC[C@H]([N@@H+](CC)Cc3ccncc3)C2)cc1CO ZINC000019225079 1399328632 /nfs/dbraw/zinc/32/86/32/1399328632.db2.gz YSUKFMMQLFNJKK-QFIPXVFZSA-N 1 1 383.536 3.459 50 0 GGAAMO CCOc1ccc(C[N@@H+]2CCC[C@H](N(CC)Cc3ccncc3)C2)cc1CO ZINC000019225079 1399328638 /nfs/dbraw/zinc/32/86/38/1399328638.db2.gz YSUKFMMQLFNJKK-QFIPXVFZSA-N 1 1 383.536 3.459 50 0 GGAAMO CCOc1ccc(C[N@H+]2CCC[C@H](N(CC)Cc3ccncc3)C2)cc1CO ZINC000019225079 1399328645 /nfs/dbraw/zinc/32/86/45/1399328645.db2.gz YSUKFMMQLFNJKK-QFIPXVFZSA-N 1 1 383.536 3.459 50 0 GGAAMO O=C(C1CC[NH+](C2CCN(CCCc3ccccc3)CC2)CC1)N1CCCC1 ZINC000019334383 1399329950 /nfs/dbraw/zinc/32/99/50/1399329950.db2.gz VUKHLXLJNHYIOA-UHFFFAOYSA-N 1 1 383.580 3.418 50 0 GGAAMO O=C(C1CCN(C2CC[NH+](CCCc3ccccc3)CC2)CC1)N1CCCC1 ZINC000019334383 1399329951 /nfs/dbraw/zinc/32/99/51/1399329951.db2.gz VUKHLXLJNHYIOA-UHFFFAOYSA-N 1 1 383.580 3.418 50 0 GGAAMO OCC[C@H]1CN(Cc2nc(-c3ccc(Cl)cc3)no2)CC[N@H+]1C1CCCC1 ZINC000019741038 1399337943 /nfs/dbraw/zinc/33/79/43/1399337943.db2.gz CILXHROYNNXAHR-SFHVURJKSA-N 1 1 390.915 3.201 50 0 GGAAMO CC(C)n1cc(C[N@@H+]2CCC[C@H](N3CCN(c4ccc(F)cc4)CC3)C2)cn1 ZINC000019794567 1399338878 /nfs/dbraw/zinc/33/88/78/1399338878.db2.gz RKQPXXBAEIRJSP-QFIPXVFZSA-N 1 1 385.531 3.390 50 0 GGAAMO CC(C)n1cc(C[N@H+]2CCC[C@H](N3CCN(c4ccc(F)cc4)CC3)C2)cn1 ZINC000019794567 1399338881 /nfs/dbraw/zinc/33/88/81/1399338881.db2.gz RKQPXXBAEIRJSP-QFIPXVFZSA-N 1 1 385.531 3.390 50 0 GGAAMO COc1ccccc1[C@H]1[C@H]2CCCC[C@@]2(O)CC[N@@H+]1CC(=O)NCc1ccco1 ZINC000020387078 1399345691 /nfs/dbraw/zinc/34/56/91/1399345691.db2.gz FRVRXELKQYUMKV-WTIAFYNJSA-N 1 1 398.503 3.273 50 0 biogenic GGAAMO COc1ccccc1[C@H]1[C@H]2CCCC[C@@]2(O)CC[N@H+]1CC(=O)NCc1ccco1 ZINC000020387078 1399345701 /nfs/dbraw/zinc/34/57/01/1399345701.db2.gz FRVRXELKQYUMKV-WTIAFYNJSA-N 1 1 398.503 3.273 50 0 biogenic GGAAMO O=c1c(Cc2ccc(Cl)cc2Cl)c(O)ccn1CCC[NH+]1CCOCC1 ZINC000020389990 1399345837 /nfs/dbraw/zinc/34/58/37/1399345837.db2.gz ATNJFVDMOXMPJG-UHFFFAOYSA-N 1 1 397.302 3.174 50 0 GGAAMO CCOC(=O)N1CC[NH+](C[C@H]2C(=O)O[C@@H]3C[C@@]4(C)CCCC(C)=C4C[C@@H]32)CC1 ZINC000020412667 1399346433 /nfs/dbraw/zinc/34/64/33/1399346433.db2.gz SDVQAYNSMBSTBB-VALFRTSSSA-N 1 1 390.524 3.219 50 0 biogenic GGAAMO CC(=O)Nc1ccc2nc(CN3CC[N@H+](CCC(C)C)[C@@H](CCO)C3)ccc2c1 ZINC000020451032 1399346519 /nfs/dbraw/zinc/34/65/19/1399346519.db2.gz SVEUOQJXAIHPRZ-QFIPXVFZSA-N 1 1 398.551 3.108 50 0 GGAAMO CCOC(=O)N1CCN([C@H]2CCC[N@@H+](Cc3cccc(C(F)(F)F)c3)C2)CC1 ZINC000020450665 1399346544 /nfs/dbraw/zinc/34/65/44/1399346544.db2.gz UXKKVIFEJNWJAC-SFHVURJKSA-N 1 1 399.457 3.444 50 0 GGAAMO Clc1ccc(-c2n[nH]cc2C[N@@H+]2CCc3nnc([C@H]4CCCO4)n3CC2)cc1 ZINC000020600996 1399350146 /nfs/dbraw/zinc/35/01/46/1399350146.db2.gz ABZOVELRNARRHF-QGZVFWFLSA-N 1 1 398.898 3.231 50 0 GGAAMO CN(CCC[N@@H+](C)CCCn1cnc2ccccc2c1=O)Cc1ccccc1 ZINC000020762416 1399352842 /nfs/dbraw/zinc/35/28/42/1399352842.db2.gz WBGNMKGEIHGTAE-UHFFFAOYSA-N 1 1 378.520 3.241 50 0 biogenic GGAAMO Cc1oc2cc3oc(=O)c(CCC(=O)N4CC[NH+](C)CC4)c(C)c3cc2c1C ZINC000020760145 1399352975 /nfs/dbraw/zinc/35/29/75/1399352975.db2.gz ISMJTZWSTCNDEV-UHFFFAOYSA-N 1 1 382.460 3.171 50 0 biogenic GGAAMO CCCn1ncc(-c2ccnc(N3CCC[C@@H](Cn4cc[nH+]c4C)C3)n2)c1C ZINC000020856048 1399355053 /nfs/dbraw/zinc/35/50/53/1399355053.db2.gz YVAYQTYVUFBLRD-SFHVURJKSA-N 1 1 379.512 3.480 50 0 GGAAMO Cc1[nH+]ccn1[C@@H](C)C(=O)NCc1cccnc1N1CCc2ccccc2C1 ZINC000020913915 1399357032 /nfs/dbraw/zinc/35/70/32/1399357032.db2.gz FHMAIPUUTFKOTJ-INIZCTEOSA-N 1 1 375.476 3.027 50 0 GGAAMO OCC[C@@H]1CN(Cc2c[nH]nc2-c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000020998502 1399360299 /nfs/dbraw/zinc/36/02/99/1399360299.db2.gz WHBDTPCGHRUURA-JOCHJYFZSA-N 1 1 376.504 3.146 50 0 GGAAMO OCC[C@@H]1C[N@H+](Cc2c[nH]nc2-c2ccccc2)CCN1Cc1ccccc1 ZINC000020998502 1399360314 /nfs/dbraw/zinc/36/03/14/1399360314.db2.gz WHBDTPCGHRUURA-JOCHJYFZSA-N 1 1 376.504 3.146 50 0 GGAAMO OCC[C@@H]1C[N@@H+](Cc2c[nH]nc2-c2ccccc2)CCN1Cc1ccccc1 ZINC000020998502 1399360319 /nfs/dbraw/zinc/36/03/19/1399360319.db2.gz WHBDTPCGHRUURA-JOCHJYFZSA-N 1 1 376.504 3.146 50 0 GGAAMO C[N@@H+](Cc1ccccc1)[C@H]1CCCN(Cc2ccc(N3CCNC3=O)cc2)C1 ZINC000020999288 1399360526 /nfs/dbraw/zinc/36/05/26/1399360526.db2.gz PBRUSZXSWUKZRV-QFIPXVFZSA-N 1 1 378.520 3.313 50 0 GGAAMO CN(Cc1ccccc1)[C@H]1CCC[N@H+](Cc2ccc(N3CCNC3=O)cc2)C1 ZINC000020999288 1399360529 /nfs/dbraw/zinc/36/05/29/1399360529.db2.gz PBRUSZXSWUKZRV-QFIPXVFZSA-N 1 1 378.520 3.313 50 0 GGAAMO CN(Cc1ccccc1)[C@H]1CCC[N@@H+](Cc2ccc(N3CCNC3=O)cc2)C1 ZINC000020999288 1399360535 /nfs/dbraw/zinc/36/05/35/1399360535.db2.gz PBRUSZXSWUKZRV-QFIPXVFZSA-N 1 1 378.520 3.313 50 0 GGAAMO Cn1cccc1[C@H](CNC(=O)COc1ccccc1)[N@@H+]1CCc2ccccc2C1 ZINC000021151460 1399366564 /nfs/dbraw/zinc/36/65/64/1399366564.db2.gz PUIXMSDNTJVBAQ-QHCPKHFHSA-N 1 1 389.499 3.320 50 0 GGAAMO Cn1cccc1[C@H](CNC(=O)COc1ccccc1)[N@H+]1CCc2ccccc2C1 ZINC000021151460 1399366576 /nfs/dbraw/zinc/36/65/76/1399366576.db2.gz PUIXMSDNTJVBAQ-QHCPKHFHSA-N 1 1 389.499 3.320 50 0 GGAAMO O=C(CC[N@H+]1CC[C@@H](c2ccc3c(c2)OCO3)C1)c1ccc2c(c1)OCCO2 ZINC000022216134 1399445089 /nfs/dbraw/zinc/44/50/89/1399445089.db2.gz URQRSYRFKGGKGY-QGZVFWFLSA-N 1 1 381.428 3.249 50 0 GGAAMO Cc1ccc2nc(NC(=O)CN3CC[NH+](Cc4ccccc4)CC3)sc2c1 ZINC000022806943 1399506510 /nfs/dbraw/zinc/50/65/10/1399506510.db2.gz FBIFBGFQESJOFM-UHFFFAOYSA-N 1 1 380.517 3.361 50 0 GGAAMO COc1cc(CN2CC[N@H+](C3CCCCC3)[C@H](CCO)C2)cc(Cl)c1O ZINC000022853614 1399510823 /nfs/dbraw/zinc/51/08/23/1399510823.db2.gz MZTWCCZSMPTOAR-QGZVFWFLSA-N 1 1 382.932 3.256 50 0 GGAAMO COc1cccc(-n2cc(-c3ccnc(NC[C@H]4CCCC[N@H+]4C)n3)cn2)c1 ZINC000023337234 1399550304 /nfs/dbraw/zinc/55/03/04/1399550304.db2.gz ZMZCXLVFKHGROR-GOSISDBHSA-N 1 1 378.480 3.234 50 0 GGAAMO OC1(c2cn(C[C@@H]3CCC[N@@H+](Cc4c[nH]c5ccccc45)C3)nn2)CCCC1 ZINC000023339262 1399550836 /nfs/dbraw/zinc/55/08/36/1399550836.db2.gz HLNQVUWKTISKIR-QGZVFWFLSA-N 1 1 379.508 3.433 50 0 GGAAMO Cc1nccnc1-c1cc(=O)[nH]c(-c2cccc(C[N@@H+]3CCC[C@H](C)C3)c2)n1 ZINC000023379803 1399554593 /nfs/dbraw/zinc/55/45/93/1399554593.db2.gz XEDABRKINOCJMB-HNNXBMFYSA-N 1 1 375.476 3.434 50 0 GGAAMO O=c1cc(-c2ccc(F)cc2)nc(-c2ccccc2C[N@H+]2CCCOCC2)[nH]1 ZINC000048148063 1405075113 /nfs/dbraw/zinc/07/51/13/1405075113.db2.gz OTUSKYVEMNKYNZ-UHFFFAOYSA-N 1 1 379.435 3.465 50 0 GGAAMO C[C@H]1CCCC[N@H+]1Cc1ccc(-c2nc(CCn3cccn3)cc(=O)[nH]2)cc1 ZINC000048488485 1405205147 /nfs/dbraw/zinc/20/51/47/1405205147.db2.gz VUKTZCMIGIBVRH-KRWDZBQOSA-N 1 1 377.492 3.251 50 0 GGAAMO CCOc1ccc(C(=O)NCC[NH+]2CCN(c3ccc(Cl)cc3)CC2)cc1 ZINC000056997373 1407496148 /nfs/dbraw/zinc/49/61/48/1407496148.db2.gz FQBPSFQMMSDTQJ-UHFFFAOYSA-N 1 1 387.911 3.291 50 0 GGAAMO O=C(NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)c1cc(=O)c2ccccc2o1 ZINC000064521798 1408572815 /nfs/dbraw/zinc/57/28/15/1408572815.db2.gz XUUPFHVMGSRLRT-OAHLLOKOSA-N 1 1 382.485 3.497 50 0 GGAAMO CC[C@H](O)Cn1cc(C2=CC[N@H+](Cc3ccc(C(F)(F)F)nc3)CC2)cn1 ZINC000065386873 1408664206 /nfs/dbraw/zinc/66/42/06/1408664206.db2.gz SVBLBGKFQOSNTD-KRWDZBQOSA-N 1 1 380.414 3.357 50 0 GGAAMO CC[C@H](O)Cn1cc(C2=CC[N@@H+](Cc3ccc(C(F)(F)F)nc3)CC2)cn1 ZINC000065386873 1408664210 /nfs/dbraw/zinc/66/42/10/1408664210.db2.gz SVBLBGKFQOSNTD-KRWDZBQOSA-N 1 1 380.414 3.357 50 0 GGAAMO CC[C@H]1[C@@H]2OC(=O)[C@@H](C)[C@@H]2[C@H]2C[C@H]([C@@H]3C[C@H](C)C(=O)O3)[N@H+]3CCCC[C@H]1[C@H]23 ZINC000070454829 1409746997 /nfs/dbraw/zinc/74/69/97/1409746997.db2.gz GYOGHROCTSEKDY-UNDWZADCSA-N 1 1 375.509 3.015 50 0 biogenic,in-vitro GGAAMO CC(=O)Nc1ccc(C(=O)COc2coc(C[NH+]3CCCCCC3)cc2=O)cc1 ZINC000095472074 1410313367 /nfs/dbraw/zinc/31/33/67/1410313367.db2.gz AHKQAYMAZFYXEU-UHFFFAOYSA-N 1 1 398.459 3.236 50 0 GGAAMO O=C(CCc1ncc(-c2ccccc2)o1)N1CC[NH+](CCc2ccncc2)CC1 ZINC000095479975 1410314578 /nfs/dbraw/zinc/31/45/78/1410314578.db2.gz XCGLEQTXXHRSCV-UHFFFAOYSA-N 1 1 390.487 3.056 50 0 GGAAMO C[NH+]1CCN(C(=S)c2cn(C(=O)c3ccc(F)cc3)c3ccccc23)CC1 ZINC000101183901 1410440783 /nfs/dbraw/zinc/44/07/83/1410440783.db2.gz WNWWUTLVMSUALY-UHFFFAOYSA-N 1 1 381.476 3.392 50 0 GGAAMO CC(C)=CC[N@H+]1CCN(Cc2ccc3c(cccc3NC(C)=O)n2)C[C@H]1CCO ZINC000104533165 1410899116 /nfs/dbraw/zinc/89/91/16/1410899116.db2.gz PNARANNZZSVICB-HXUWFJFHSA-N 1 1 396.535 3.028 50 0 GGAAMO Cn1ccnc1CCC[N@@H+](C)C1CCN(c2ccc(-c3cc[nH]n3)cc2)CC1 ZINC000104857467 1410981781 /nfs/dbraw/zinc/98/17/81/1410981781.db2.gz QRTSALXPUARBST-UHFFFAOYSA-N 1 1 378.524 3.344 50 0 GGAAMO Cc1nc(C[NH+]2CCC(CNC(=O)CCn3cnc4ccccc43)CC2)cs1 ZINC000111040969 1411883870 /nfs/dbraw/zinc/88/38/70/1411883870.db2.gz XEPRCUVPOQNVHB-UHFFFAOYSA-N 1 1 397.548 3.220 50 0 GGAAMO O=C(NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)c1cc(=O)c2ccccc2o1 ZINC000140098322 1417488564 /nfs/dbraw/zinc/48/85/64/1417488564.db2.gz XUUPFHVMGSRLRT-HNNXBMFYSA-N 1 1 382.485 3.497 50 0 GGAAMO O=C(NC[C@@H]1CCC[N@H+]2CCCC[C@@H]12)[C@H]1CC(=O)N(c2cccc(Cl)c2)C1 ZINC000230142926 1433372463 /nfs/dbraw/zinc/37/24/63/1433372463.db2.gz ZYZUPOYQAQQFRW-BXWFABGCSA-N 1 1 389.927 3.074 50 0 biogenic GGAAMO Cc1nn(C(C)C)c(C)c1-c1cc(C(=O)NC[C@@H]2CCC[N@H+]3CCCC[C@@H]23)[nH]n1 ZINC000230207052 1433372680 /nfs/dbraw/zinc/37/26/80/1433372680.db2.gz TWUMQFHYDVBGEA-PXNSSMCTSA-N 1 1 398.555 3.465 50 0 biogenic GGAAMO